#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 0.03 -0.17 3.17 1.01 -1.26 -4.15 120.40 119.04 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 33.96 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 -3.72 0.28 -0.03 2.72 2.20 -1.18 -5.01 119.74 114.99 1trv s LYS 3 Ca 0.40 0.88 -0.30 0.00 -0.36 0.00 0.00 55.97 56.59 1trv s LYS 3 Cb 0.04 0.14 -0.03 0.00 -1.51 0.00 0.00 37.83 36.47 1trv s LYS 3 CO 0.21 -0.23 1.01 -1.14 -0.36 0.00 0.00 175.35 174.84 1trv s GLN 4 N 2.23 4.50 -0.16 4.03 0.74 -1.26 -1.39 119.66 128.35 1trv s GLN 4 Ca -0.03 1.44 -0.17 0.00 0.05 0.00 0.00 55.36 56.64 1trv s GLN 4 Cb -0.11 -3.48 -0.04 0.00 1.10 0.00 0.00 33.01 30.47 1trv s GLN 4 CO -0.11 -0.16 0.45 0.42 -0.55 0.00 0.00 175.29 175.33 1trv s ILE 5 N 1.38 5.19 -0.09 -2.34 -1.09 -0.57 -4.94 121.20 118.74 1trv s ILE 5 Ca 0.51 0.86 0.14 0.00 -2.23 0.00 0.00 60.65 59.93 1trv s ILE 5 Cb -0.21 -3.78 -0.24 0.00 -1.58 0.00 0.00 42.46 36.65 1trv s ILE 5 CO 0.25 0.28 0.49 -0.62 -1.23 0.00 0.00 174.94 174.11 1trv n GLU 6 N 4.08 0.65 -0.06 2.79 1.02 -1.26 -4.48 120.64 123.38 1trv n GLU 6 Ca -0.07 0.21 0.00 0.00 -0.02 0.00 0.00 57.16 57.28 1trv n GLU 6 Cb 0.51 -1.72 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 -2.97 0.00 0.10 1.62 3.41 -1.26 -4.17 113.62 110.34 1trv n SER 7 Ca -0.22 -0.05 -0.00 0.00 -0.26 0.00 0.00 58.87 58.34 1trv n SER 7 Cb 1.08 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 65.00 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 -0.12 4.33 3.64 -1.93 -3.11 116.57 119.38 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 0.58 0.00 1.15 -2.27 0.00 0.00 179.45 178.92 1trv h THR 9 N 0.00 0.92 -0.11 1.00 2.02 -2.00 -1.17 112.91 113.57 1trv h THR 9 Ca -0.04 -0.01 -0.11 0.00 0.77 0.00 0.00 66.41 67.02 1trv h THR 9 Cb 1.52 0.87 -0.01 0.00 -1.74 0.00 0.00 68.15 68.79 1trv h THR 9 CO 0.08 0.01 -0.42 0.00 0.37 0.00 0.00 175.52 175.56 1trv h ALA 10 N 1.10 1.10 0.14 6.16 0.00 -1.98 -2.43 119.26 123.35 1trv h ALA 10 Ca 0.06 -0.42 -0.00 0.00 0.00 0.00 0.00 54.91 54.55 1trv h ALA 10 Cb 0.06 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 1trv h ALA 10 CO -0.09 0.59 -0.08 0.35 0.00 0.00 0.00 179.25 180.02 1trv h PHE 11 N 0.20 -0.22 -0.08 0.00 3.57 -1.28 0.41 116.94 119.55 1trv h PHE 11 Ca 0.02 -0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.51 1trv h PHE 11 Cb 0.83 0.08 -0.00 0.00 2.79 0.00 0.00 35.95 39.64 1trv h PHE 11 CO 0.01 -0.13 0.03 0.37 -2.23 0.00 0.00 178.31 176.36 1trv h GLN 12 N -0.22 0.11 0.00 1.11 5.75 -1.18 -1.99 115.11 118.70 1trv h GLN 12 Ca -0.01 -0.02 -0.01 0.00 -0.15 0.00 0.00 58.65 58.46 1trv h GLN 12 Cb 0.18 -0.02 -0.00 0.00 1.07 0.00 0.00 27.48 28.71 1trv h GLN 12 CO 0.01 0.23 -0.02 0.93 -2.65 0.00 0.00 178.83 177.33 1trv h GLU 13 N -0.03 0.00 -0.17 1.69 4.39 -1.26 -2.00 114.58 117.20 1trv h GLU 13 Ca 0.03 0.00 -0.04 0.00 0.34 0.00 0.00 59.36 59.68 1trv h GLU 13 Cb 0.16 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.80 1trv h GLU 13 CO -0.00 0.02 -0.05 0.00 -1.16 0.00 0.00 179.01 177.82 1trv h ALA 14 N 1.98 0.24 0.00 3.43 0.00 0.56 -2.25 119.26 123.21 1trv h ALA 14 Ca -0.00 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 54.64 1trv h ALA 14 Cb 0.05 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 1trv h ALA 14 CO 0.00 0.01 -0.09 -0.07 0.00 0.00 0.00 179.25 179.10 1trv h LEU 15 N 0.04 0.00 -0.09 0.00 3.38 -0.93 -1.66 115.31 116.05 1trv h LEU 15 Ca 0.04 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.96 1trv h LEU 15 Cb 0.50 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.25 1trv h LEU 15 CO 0.02 0.09 -0.14 -0.78 0.09 0.00 0.00 178.44 177.72 1trv h ASP 16 N 0.00 0.27 1.12 -0.43 3.58 -0.93 -3.04 116.42 116.99 1trv h ASP 16 Ca -0.00 -0.54 -0.02 0.00 0.42 0.00 0.00 57.03 56.89 1trv h ASP 16 Cb 0.35 -0.08 -0.00 0.00 1.72 0.00 0.00 39.33 41.32 1trv h ASP 16 CO 0.01 0.75 -0.08 0.00 -2.88 0.00 0.00 179.24 177.04 1trv h ALA 17 N 0.52 1.00 -0.17 -0.78 0.00 -1.08 -2.88 119.26 115.88 1trv h ALA 17 Ca 0.01 -0.08 -0.06 0.00 0.00 0.00 0.00 54.91 54.78 1trv h ALA 17 Cb 0.70 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 1trv h ALA 17 CO 0.03 0.10 -0.17 0.00 0.00 0.00 0.00 179.25 179.22 1trv h ALA 18 N 1.92 1.40 0.00 0.00 0.00 -1.19 -3.47 119.26 117.91 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 0.66 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.36 1trv h ALA 18 CO 0.01 0.41 0.00 0.41 0.00 0.00 0.00 179.25 180.09 1trv n GLY 19 N -0.73 1.70 0.00 0.00 0.00 -1.09 -3.56 105.19 101.51 1trv n GLY 19 Ca -0.01 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 45.69 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 6.15 0.00 -4.63 1.61 8.00 -1.26 -4.57 116.55 121.84 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 0.97 0.72 -1.24 1.02 -1.23 -4.38 119.74 115.60 1trv s LYS 21 Ca 0.00 0.15 -0.15 0.00 0.02 0.00 0.00 55.97 56.00 1trv s LYS 21 Cb 0.00 -1.83 0.04 0.00 -0.52 0.00 0.00 37.83 35.51 1trv s LYS 21 CO 0.00 -2.29 1.18 -1.17 -0.92 0.00 0.00 175.35 172.15 1trv s LEU 22 N -6.04 3.30 -0.28 3.17 0.20 -1.26 -4.30 118.68 113.46 1trv s LEU 22 Ca 0.65 2.26 -0.01 0.00 0.69 0.00 0.00 54.13 57.73 1trv s LEU 22 Cb -0.13 -4.58 0.14 0.00 -0.43 0.00 0.00 46.19 41.19 1trv s LEU 22 CO 0.53 -2.16 0.30 -0.69 -0.29 0.00 0.00 176.35 174.05 1trv s VAL 23 N -2.11 -0.43 0.58 1.68 1.01 0.11 -3.08 120.40 118.16 1trv s VAL 23 Ca 0.72 -0.43 -0.02 0.00 0.00 0.00 0.00 61.98 62.25 1trv s VAL 23 Cb -0.27 -0.96 0.03 0.00 0.00 0.00 0.00 36.38 35.18 1trv s VAL 23 CO 0.45 -0.42 0.84 -0.69 0.00 0.00 0.00 175.10 175.28 1trv s VAL 24 N 2.38 3.01 0.01 2.92 1.01 -0.62 -0.22 120.40 128.90 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 -0.31 -0.16 0.01 -0.69 0.00 0.00 0.00 175.10 173.96 1trv s VAL 25 N -2.89 0.09 -0.26 2.92 1.01 -0.55 -2.40 120.40 118.32 1trv s VAL 25 Ca 0.56 -0.77 0.03 0.00 0.00 0.00 0.00 61.98 61.79 1trv s VAL 25 Cb -0.10 -0.28 0.06 0.00 0.00 0.00 0.00 36.38 36.06 1trv s VAL 25 CO 0.41 -0.43 -0.10 -0.62 0.00 0.00 0.00 175.10 174.37 1trv s ASP 26 N -1.30 4.45 -0.56 3.32 2.15 -0.97 -2.90 116.67 120.86 1trv s ASP 26 Ca -0.14 -1.44 -0.16 0.00 0.43 0.00 0.00 52.55 51.24 1trv s ASP 26 Cb -0.09 -1.54 0.14 0.00 -0.30 0.00 0.00 42.92 41.13 1trv s ASP 26 CO -0.00 -0.20 0.52 -0.36 -0.17 0.00 0.00 175.17 174.95 1trv s PHE 27 N 1.10 3.30 0.00 -5.34 0.40 0.04 -1.24 117.98 116.23 1trv s PHE 27 Ca -0.08 -1.38 0.00 0.00 -0.60 0.00 0.00 56.93 54.88 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 -1.02 0.00 0.43 0.70 0.00 0.00 175.22 175.28 1trv n SER 28 N 5.12 1.68 -3.71 1.36 7.64 -1.15 -1.67 113.62 122.89 1trv n SER 28 Ca -0.11 -0.71 -0.27 0.00 1.01 0.00 0.00 58.87 58.79 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 0.87 0.01 -0.43 0.00 -1.26 -3.08 121.76 115.87 1trv s ALA 29 Ca 0.00 -0.60 -0.25 0.00 0.00 0.00 0.00 51.96 51.12 1trv s ALA 29 Cb 0.00 -1.13 -0.18 0.00 0.00 0.00 0.00 23.12 21.80 1trv s ALA 29 CO 0.00 -1.15 1.41 0.00 0.00 0.00 0.00 175.76 176.02 1trv h THR 30 N 6.49 1.28 -0.29 0.00 1.03 -1.95 -2.39 112.91 117.07 1trv h THR 30 Ca -0.16 -0.82 0.08 0.00 -0.01 0.00 0.00 66.41 65.50 1trv h THR 30 Cb 1.13 1.82 -0.01 0.00 -1.07 0.00 0.00 68.15 70.02 1trv h THR 30 CO 0.32 0.22 0.52 4.11 -0.01 0.00 0.00 175.52 180.67 1trv h TRP 31 N -0.33 0.00 -3.56 0.00 5.08 -2.02 -3.40 115.95 111.72 1trv h TRP 31 Ca 0.00 0.00 -0.51 0.00 1.08 0.00 0.00 58.89 59.47 1trv h TRP 31 Cb 0.35 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 26.50 1trv h TRP 31 CO 0.05 0.00 0.02 0.00 -1.28 0.00 0.00 178.44 177.22 1trv n GLY 33 N -0.79 -0.67 0.17 0.00 0.00 -1.26 -3.80 105.19 98.84 1trv n GLY 33 Ca 0.02 -0.08 -0.07 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.41 -0.06 -0.01 1.61 0.11 -1.96 0.21 132.00 131.49 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 0.25 0.01 -0.00 0.00 0.11 0.00 0.00 31.00 31.37 1trv h PRO 34 CO 0.00 -0.04 0.02 0.00 -0.21 0.00 0.00 178.00 177.77 1trv h LYS 36 N 0.00 0.00 0.00 0.00 3.64 -0.77 -3.24 116.57 116.19 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 0.04 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.86 1trv h LYS 36 CO -0.00 0.21 0.00 -0.12 -2.27 0.00 0.00 179.45 177.27 1trv n MET 37 N -2.95 0.24 -0.39 1.90 1.56 0.15 -1.99 117.12 115.65 1trv n MET 37 Ca -0.02 0.12 0.10 0.00 -0.27 0.00 0.00 57.70 57.64 1trv n MET 37 Cb 0.68 -1.50 0.30 0.00 2.15 0.00 0.00 33.22 34.85 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 -1.29 1.06 0.11 1.12 5.41 -1.22 -4.28 119.36 120.29 1trv n ILE 38 Ca 0.08 -0.92 0.02 0.00 1.00 0.00 0.00 62.75 62.93 1trv n ILE 38 Cb 0.14 0.35 -0.00 0.00 -0.71 0.00 0.00 39.64 39.41 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 3.79 0.00 0.00 0.38 2.10 -1.61 -3.20 116.57 118.02 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 0.99 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.32 1trv h LYS 39 CO 0.05 0.45 0.00 -0.35 -2.00 0.00 0.00 179.45 177.60 1trv n PRO 40 N -3.14 0.14 -0.06 0.07 -0.05 -1.26 -1.31 135.00 129.39 1trv n PRO 40 Ca -0.01 0.30 -0.02 0.00 -0.05 0.00 0.00 63.50 63.72 1trv n PRO 40 Cb 0.76 -1.73 -0.01 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 -0.37 0.54 -1.00 -1.84 -2.97 116.94 111.29 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 0.42 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 39.96 1trv h PHE 41 CO 0.00 0.00 0.23 0.35 -1.61 0.00 0.00 178.31 177.28 1trv h PHE 42 N -0.99 0.49 0.00 -0.55 3.57 -1.59 -1.89 116.94 115.99 1trv h PHE 42 Ca 0.00 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.49 1trv h PHE 42 Cb 0.22 -0.16 -0.00 0.00 2.79 0.00 0.00 35.95 38.80 1trv h PHE 42 CO -0.10 0.35 -0.07 1.25 -2.23 0.00 0.00 178.31 177.51 1trv h HIS 43 N 0.49 0.00 -0.35 0.41 2.76 -1.38 -1.91 115.15 115.17 1trv h HIS 43 Ca 0.13 0.00 -0.11 0.00 -2.20 0.00 0.00 60.37 58.19 1trv h HIS 43 Cb -0.00 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 28.94 1trv h HIS 43 CO -0.04 0.07 -0.23 1.03 -1.30 0.00 0.00 177.93 177.46 1trv h SER 44 N 0.00 0.70 -0.21 3.26 0.87 -1.17 -2.43 113.55 114.58 1trv h SER 44 Ca -0.00 -0.25 0.06 0.00 -1.23 0.00 0.00 61.79 60.37 1trv h SER 44 Cb 0.18 -0.19 -0.01 0.00 -0.44 0.00 0.00 62.40 61.94 1trv h SER 44 CO 0.01 0.92 0.15 -0.07 -0.53 0.00 0.00 176.83 177.30 1trv h LEU 45 N 0.61 0.02 -0.57 2.23 3.38 -1.23 -2.29 115.31 117.44 1trv h LEU 45 Ca 0.09 -0.00 0.12 0.00 0.09 0.00 0.00 57.88 58.17 1trv h LEU 45 Cb 0.72 -0.00 -0.10 0.00 0.09 0.00 0.00 40.66 41.37 1trv h LEU 45 CO 0.06 0.01 -0.01 0.28 0.09 0.00 0.00 178.44 178.87 1trv h SER 46 N 0.02 -0.27 0.97 -0.43 0.02 -1.48 0.33 113.55 112.72 1trv h SER 46 Ca 0.10 0.14 0.00 0.00 -0.84 0.00 0.00 61.79 61.19 1trv h SER 46 Cb 0.36 0.25 0.00 0.00 0.14 0.00 0.00 62.40 63.16 1trv h SER 46 CO -0.00 -0.10 -0.87 -0.33 -1.14 0.00 0.00 176.83 174.38 1trv h GLU 47 N 0.11 0.00 0.00 3.45 4.39 -1.58 -3.14 114.58 117.81 1trv h GLU 47 Ca 0.29 0.00 -0.20 0.00 0.34 0.00 0.00 59.36 59.79 1trv h GLU 47 Cb 0.46 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.08 1trv h GLU 47 CO -0.49 0.00 -1.11 -0.22 -1.16 0.00 0.00 179.01 176.03 1trv h LYS 48 N 0.00 0.00 -2.40 2.33 1.63 -0.80 -3.39 116.57 113.94 1trv h LYS 48 Ca 0.00 0.00 -0.60 0.00 -0.85 0.00 0.00 60.65 59.20 1trv h LYS 48 Cb 0.92 0.00 -0.41 0.00 -0.60 0.00 0.00 32.23 32.14 1trv h LYS 48 CO 0.00 0.70 -0.74 0.66 -3.45 0.00 0.00 179.45 176.62 1trv n TYR 49 N -3.20 2.13 0.83 1.91 4.01 0.11 -4.90 117.16 118.05 1trv n TYR 49 Ca -0.04 -3.96 0.06 0.00 -0.16 0.00 0.00 57.90 53.79 1trv n TYR 49 Cb 0.91 -0.43 0.37 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 1.50 0.00 -1.31 7.72 3.41 -1.25 -1.64 113.62 122.05 1trv n SER 50 Ca 0.26 -0.44 0.11 0.00 -0.26 0.00 0.00 58.87 58.54 1trv n SER 50 Cb 0.43 0.00 0.31 0.00 -0.26 0.00 0.00 64.21 64.69 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 -0.97 3.81 -4.16 4.04 5.15 -1.26 -4.91 115.26 116.95 1trv n ASN 51 Ca 0.09 -2.02 -0.18 0.00 -0.60 0.00 0.00 54.58 51.88 1trv n ASN 51 Cb 0.04 -0.48 -0.12 0.00 -0.53 0.00 0.00 39.78 38.70 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 -1.09 1.07 -0.27 3.44 1.01 -0.65 -4.77 120.40 119.13 1trv s VAL 52 Ca 0.47 -1.30 -0.11 0.00 0.00 0.00 0.00 61.98 61.04 1trv s VAL 52 Cb 0.25 -1.05 -0.05 0.00 0.00 0.00 0.00 36.38 35.53 1trv s VAL 52 CO 0.32 -0.25 0.20 -0.63 0.00 0.00 0.00 175.10 174.74 1trv s ILE 53 N -1.32 5.31 -0.15 2.22 -1.09 -1.18 -4.77 121.20 120.22 1trv s ILE 53 Ca -0.02 0.20 -0.02 0.00 -2.23 0.00 0.00 60.65 58.57 1trv s ILE 53 Cb -0.10 -3.54 -0.02 0.00 -1.58 0.00 0.00 42.46 37.22 1trv s ILE 53 CO 0.02 0.25 -0.08 -0.36 -1.23 0.00 0.00 174.94 173.55 1trv s PHE 54 N 1.71 2.93 0.38 3.97 0.08 -1.26 -1.59 117.98 124.20 1trv s PHE 54 Ca 0.08 -0.50 0.08 0.00 0.12 0.00 0.00 56.93 56.71 1trv s PHE 54 Cb -0.16 -1.92 -0.03 0.00 -0.57 0.00 0.00 43.02 40.34 1trv s PHE 54 CO 0.10 -0.15 0.28 -0.51 -0.10 0.00 0.00 175.22 174.84 1trv s LEU 55 N 0.45 3.37 -0.22 -0.37 1.02 -1.01 -3.10 118.68 118.81 1trv s LEU 55 Ca -0.06 -0.75 -0.04 0.00 0.02 0.00 0.00 54.13 53.30 1trv s LEU 55 Cb -0.15 -1.92 0.08 0.00 0.02 0.00 0.00 46.19 44.22 1trv s LEU 55 CO 0.04 -0.49 0.14 -0.70 0.02 0.00 0.00 176.35 175.35 1trv s GLU 56 N -4.00 0.14 0.03 1.70 2.12 -0.48 -2.28 118.70 115.92 1trv s GLU 56 Ca 0.43 -0.18 0.02 0.00 0.36 0.00 0.00 54.97 55.60 1trv s GLU 56 Cb -0.02 -1.44 -0.04 0.00 0.26 0.00 0.00 34.13 32.89 1trv s GLU 56 CO 0.26 -0.80 0.03 0.08 -0.54 0.00 0.00 175.26 174.29 1trv s VAL 57 N 2.17 4.33 -0.20 3.70 1.01 -0.38 -1.50 120.40 129.53 1trv s VAL 57 Ca 0.05 -0.66 -0.03 0.00 0.00 0.00 0.00 61.98 61.35 1trv s VAL 57 Cb -0.16 -3.00 -0.01 0.00 0.00 0.00 0.00 36.38 33.22 1trv s VAL 57 CO -0.20 0.28 -0.07 -0.62 0.00 0.00 0.00 175.10 174.49 1trv s ASP 58 N -1.89 4.16 0.00 3.32 2.15 -1.26 -2.93 116.67 120.22 1trv s ASP 58 Ca 0.23 -0.40 0.08 0.00 0.43 0.00 0.00 52.55 52.89 1trv s ASP 58 Cb -0.12 -1.70 0.41 0.00 -0.30 0.00 0.00 42.92 41.22 1trv s ASP 58 CO 0.15 0.01 1.01 1.33 -0.17 0.00 0.00 175.17 177.50 1trv n VAL 59 N 4.56 0.45 -0.10 1.11 0.24 -1.18 0.18 118.33 123.59 1trv n VAL 59 Ca -0.18 0.11 -0.19 0.00 -2.04 0.00 0.00 64.34 62.04 1trv n VAL 59 Cb 0.51 -0.99 -0.08 0.00 -1.47 0.00 0.00 33.84 31.81 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 -1.15 1.87 0.01 -1.34 9.92 -1.26 -3.76 116.55 120.85 1trv n ASP 60 Ca 0.05 0.11 -0.09 0.00 -0.53 0.00 0.00 54.79 54.33 1trv n ASP 60 Cb 0.04 -0.49 -0.13 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 -0.45 0.02 -0.58 -2.24 3.58 -1.89 -3.35 116.42 111.52 1trv h ASP 61 Ca -0.49 -0.04 -0.40 0.00 0.42 0.00 0.00 57.03 56.51 1trv h ASP 61 Cb 1.55 -0.01 -0.28 0.00 1.72 0.00 0.00 39.33 42.31 1trv h ASP 61 CO -0.22 1.03 -0.45 0.00 -2.88 0.00 0.00 179.24 176.72 1trv n ALA 62 N -2.50 4.81 0.19 -0.78 0.00 0.13 -4.75 120.51 117.62 1trv n ALA 62 Ca -0.12 -3.57 0.10 0.00 0.00 0.00 0.00 53.44 49.86 1trv n ALA 62 Cb 1.01 -0.56 0.52 0.00 0.00 0.00 0.00 19.45 20.43 1trv n ALA 62 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 177.50 176.94 1trv h GLN 63 N 1.75 0.00 -0.20 0.00 3.07 -1.64 0.11 115.11 118.20 1trv h GLN 63 Ca 0.31 0.00 -0.15 0.00 0.09 0.00 0.00 58.65 58.89 1trv h GLN 63 Cb 1.38 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.94 1trv h GLN 63 CO 0.66 0.00 -0.51 0.38 0.09 0.00 0.00 178.83 179.45 1trv h ASP 64 N 0.00 0.62 0.89 0.06 2.03 -1.90 -2.81 116.42 115.31 1trv h ASP 64 Ca 0.00 -0.31 -0.21 0.00 -0.73 0.00 0.00 57.03 55.77 1trv h ASP 64 Cb 0.41 -0.18 -0.02 0.00 -0.83 0.00 0.00 39.33 38.71 1trv h ASP 64 CO 0.00 1.02 -1.00 0.58 -1.03 0.00 0.00 179.24 178.81 1trv h VAL 65 N 0.44 1.65 -0.46 4.15 2.07 -1.10 -3.21 116.25 119.80 1trv h VAL 65 Ca 0.02 -3.22 -0.03 0.00 0.82 0.00 0.00 66.70 64.29 1trv h VAL 65 Cb 1.04 2.78 -0.02 0.00 -1.52 0.00 0.00 31.29 33.58 1trv h VAL 65 CO 0.10 0.92 0.17 0.00 0.02 0.00 0.00 177.57 178.78 1trv h ALA 66 N 0.96 1.44 0.00 1.67 0.00 -1.40 -1.31 119.26 120.63 1trv h ALA 66 Ca -0.03 -0.14 -0.05 0.00 0.00 0.00 0.00 54.91 54.69 1trv h ALA 66 Cb 1.73 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 19.32 1trv h ALA 66 CO 0.14 0.42 -0.25 0.66 0.00 0.00 0.00 179.25 180.22 1trv h SER 67 N 0.65 0.00 0.97 0.00 4.64 -1.50 0.53 113.55 118.85 1trv h SER 67 Ca 0.16 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.43 1trv h SER 67 Cb 0.16 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.26 1trv h SER 67 CO -0.01 0.25 -0.47 -0.08 -0.87 0.00 0.00 176.83 175.65 1trv h GLU 68 N 0.00 -1.25 -0.00 4.77 4.81 -1.31 -2.54 114.58 119.05 1trv h GLU 68 Ca -0.00 0.09 0.00 0.00 -0.13 0.00 0.00 59.36 59.31 1trv h GLU 68 Cb 0.45 0.29 0.00 0.00 0.63 0.00 0.00 28.75 30.12 1trv h GLU 68 CO 0.03 -0.84 -0.05 0.00 -0.73 0.00 0.00 179.01 177.42 1trv n ALA 69 N -2.65 2.64 -3.26 2.92 0.00 -1.16 -4.94 120.51 114.05 1trv n ALA 69 Ca -0.16 -0.21 -0.10 0.00 0.00 0.00 0.00 53.44 52.97 1trv n ALA 69 Cb 0.51 -1.42 0.02 0.00 0.00 0.00 0.00 19.45 18.57 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 -1.09 -1.51 -2.85 0.00 2.13 0.18 -4.90 120.64 112.60 1trv n GLU 70 Ca 0.15 1.17 -0.43 0.00 0.66 0.00 0.00 57.16 58.71 1trv n GLU 70 Cb 0.25 -5.12 -0.04 0.00 0.27 0.00 0.00 31.44 26.79 1trv n GLU 70 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 1trv s VAL 71 N -3.12 4.54 -0.45 6.31 1.01 -0.83 -4.86 120.40 123.00 1trv s VAL 71 Ca 0.13 0.80 0.14 0.00 0.00 0.00 0.00 61.98 63.05 1trv s VAL 71 Cb -0.03 -4.38 0.40 0.00 0.00 0.00 0.00 36.38 32.37 1trv s VAL 71 CO 0.78 -0.73 1.32 0.29 0.00 0.00 0.00 175.10 176.76 1trv n LYS 72 N 6.97 2.82 -3.24 2.72 5.02 -1.26 -4.90 118.16 126.28 1trv n LYS 72 Ca 0.05 -2.45 0.00 0.00 -2.02 0.00 0.00 58.31 53.90 1trv n LYS 72 Cb 0.48 -1.55 -0.03 0.00 -0.02 0.00 0.00 35.03 33.91 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 -2.02 -1.95 0.14 7.82 0.00 -1.26 -5.16 121.76 119.33 1trv s ALA 73 Ca 0.32 1.65 0.04 0.00 0.00 0.00 0.00 51.96 53.97 1trv s ALA 73 Cb 0.23 -2.01 -0.04 0.00 0.00 0.00 0.00 23.12 21.31 1trv s ALA 73 CO 0.11 -1.27 0.16 0.95 0.00 0.00 0.00 175.76 175.70 1trv s THR 74 N 2.78 4.71 0.73 0.00 -4.23 -1.26 -4.20 115.64 114.17 1trv s THR 74 Ca 0.17 -0.91 -0.11 0.00 -1.18 0.00 0.00 61.69 59.65 1trv s THR 74 Cb -0.15 -3.38 0.03 0.00 1.34 0.00 0.00 72.50 70.34 1trv s THR 74 CO -0.19 -0.05 1.08 -2.16 -0.54 0.00 0.00 174.62 172.76 1trv s PRO 75 N -2.98 2.65 -0.09 3.99 0.04 -1.26 -4.92 135.00 132.43 1trv s PRO 75 Ca 0.32 0.65 -0.10 0.00 0.04 0.00 0.00 61.00 61.90 1trv s PRO 75 Cb -0.11 -1.98 0.03 0.00 0.04 0.00 0.00 34.50 32.48 1trv s PRO 75 CO 0.24 -1.23 0.28 0.99 0.04 0.00 0.00 177.00 177.33 1trv s THR 76 N -3.20 0.01 0.01 1.26 2.01 -0.67 -3.25 115.64 111.81 1trv s THR 76 Ca 0.59 -0.09 0.08 0.00 0.31 0.00 0.00 61.69 62.58 1trv s THR 76 Cb -0.13 -0.42 -0.02 0.00 0.01 0.00 0.00 72.50 71.93 1trv s THR 76 CO 0.54 -0.05 -0.25 -0.36 -0.69 0.00 0.00 174.62 173.81 1trv s PHE 77 N -0.09 2.18 0.03 4.92 0.40 -0.95 -0.78 117.98 123.69 1trv s PHE 77 Ca -0.02 -0.41 0.06 0.00 -0.60 0.00 0.00 56.93 55.97 1trv s PHE 77 Cb -0.03 -1.35 -0.02 0.00 0.51 0.00 0.00 43.02 42.13 1trv s PHE 77 CO 0.01 0.04 -0.19 -0.65 0.70 0.00 0.00 175.22 175.13 1trv s GLN 78 N -0.89 1.28 -0.35 0.44 -0.21 -1.14 -2.04 119.66 116.74 1trv s GLN 78 Ca 0.10 -0.85 -0.07 0.00 0.02 0.00 0.00 55.36 54.56 1trv s GLN 78 Cb -0.09 -1.35 0.04 0.00 1.00 0.00 0.00 33.01 32.61 1trv s GLN 78 CO 0.01 0.35 0.14 -0.06 -2.12 0.00 0.00 175.29 173.60 1trv s PHE 79 N -0.75 3.27 0.13 0.91 0.40 0.11 -1.48 117.98 120.56 1trv s PHE 79 Ca 0.06 -1.38 0.06 0.00 -0.60 0.00 0.00 56.93 55.07 1trv s PHE 79 Cb -0.08 -2.38 -0.04 0.00 0.51 0.00 0.00 43.02 41.03 1trv s PHE 79 CO 0.01 -0.73 0.00 -0.06 0.70 0.00 0.00 175.22 175.15 1trv s PHE 80 N 1.42 2.93 -0.18 0.36 0.08 0.70 -1.81 117.98 121.49 1trv s PHE 80 Ca -0.01 -0.07 -0.12 0.00 0.12 0.00 0.00 56.93 56.85 1trv s PHE 80 Cb -0.20 -1.47 0.05 0.00 -0.57 0.00 0.00 43.02 40.83 1trv s PHE 80 CO 0.03 0.49 0.44 0.21 -0.10 0.00 0.00 175.22 176.29 1trv s LYS 81 N -2.58 0.46 -1.31 0.44 2.20 -0.62 -0.71 119.74 117.61 1trv s LYS 81 Ca 0.26 0.76 0.00 0.00 -0.36 0.00 0.00 55.97 56.63 1trv s LYS 81 Cb -0.11 0.09 0.00 0.00 -1.51 0.00 0.00 37.83 36.30 1trv s LYS 81 CO 0.18 -0.12 0.00 1.63 -0.36 0.00 0.00 175.35 176.68 1trv n LYS 82 N 3.76 -1.32 -1.80 4.03 5.02 -1.26 0.79 118.16 127.39 1trv n LYS 82 Ca -0.20 0.74 0.00 0.00 -2.02 0.00 0.00 58.31 56.84 1trv n LYS 82 Cb 0.56 -4.96 0.00 0.00 -0.02 0.00 0.00 35.03 30.61 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 -0.20 0.43 2.86 0.72 0.00 -1.26 -5.05 105.19 102.69 1trv n GLY 83 Ca -0.12 -0.88 -0.21 0.00 0.00 0.00 0.00 46.02 44.81 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 -3.63 0.79 0.04 1.61 -0.21 0.24 -5.11 119.66 113.40 1trv s GLN 84 Ca 0.00 -0.05 -0.30 0.00 0.02 0.00 0.00 55.36 55.03 1trv s GLN 84 Cb 0.00 -0.91 -0.07 0.00 1.00 0.00 0.00 33.01 33.03 1trv s GLN 84 CO 0.00 -0.16 1.59 0.21 -2.12 0.00 0.00 175.29 174.81 1trv s LYS 85 N 1.26 4.22 -0.00 2.91 2.20 -1.26 -1.59 119.74 127.47 1trv s LYS 85 Ca -0.06 2.23 0.03 0.00 -0.36 0.00 0.00 55.97 57.81 1trv s LYS 85 Cb -0.14 -3.61 -0.04 0.00 -1.51 0.00 0.00 37.83 32.53 1trv s LYS 85 CO -0.02 -0.70 0.10 1.33 -0.36 0.00 0.00 175.35 175.71 1trv n VAL 86 N 4.75 0.00 -3.59 4.02 0.24 -0.75 -4.96 118.33 118.04 1trv n VAL 86 Ca 0.15 -0.26 -0.04 0.00 -2.04 0.00 0.00 64.34 62.15 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 -1.80 -0.30 -0.03 7.63 0.00 -1.18 -5.03 107.32 106.61 1trv s GLY 87 Ca 0.00 1.53 -0.30 0.00 0.00 0.00 0.00 44.72 45.95 1trv s GLY 87 CO 0.13 0.50 1.15 -1.83 0.00 0.00 0.00 173.10 173.06 1trv s GLU 88 N -2.44 0.58 -0.02 2.90 4.04 -1.26 0.07 118.70 122.58 1trv s GLU 88 Ca 0.10 -0.29 -0.30 0.00 0.04 0.00 0.00 54.97 54.52 1trv s GLU 88 Cb -0.01 0.22 0.11 0.00 0.02 0.00 0.00 34.13 34.47 1trv s GLU 88 CO -0.05 -0.26 1.06 -0.59 -1.84 0.00 0.00 175.26 173.58 1trv s PHE 89 N -2.68 -0.19 0.00 4.83 -0.12 -0.87 -4.99 117.98 113.97 1trv s PHE 89 Ca 0.11 0.04 0.04 0.00 -0.05 0.00 0.00 56.93 57.07 1trv s PHE 89 Cb 0.01 0.56 -0.01 0.00 -0.63 0.00 0.00 43.02 42.95 1trv s PHE 89 CO -0.03 -0.48 -0.12 -1.54 -0.05 0.00 0.00 175.22 173.00 1trv s SER 90 N -2.60 1.44 0.00 1.98 1.04 -1.26 -2.23 113.70 112.07 1trv s SER 90 Ca 0.09 -0.28 0.00 0.00 0.48 0.00 0.00 55.95 56.25 1trv s SER 90 Cb -0.00 -0.14 0.00 0.00 0.10 0.00 0.00 66.02 65.98 1trv s SER 90 CO -0.04 0.11 0.00 0.61 0.98 0.00 0.00 173.24 174.90 1trv n GLY 91 N 2.55 4.05 1.50 7.32 0.00 -1.20 -4.96 105.19 114.45 1trv n GLY 91 Ca -0.15 -0.47 -0.01 0.00 0.00 0.00 0.00 46.02 45.39 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 -1.20 4.01 -3.38 4.61 0.00 -1.26 -4.67 120.51 118.62 1trv n ALA 92 Ca 0.00 -0.15 -0.44 0.00 0.00 0.00 0.00 53.44 52.85 1trv n ALA 92 Cb 0.00 -1.03 -0.01 0.00 0.00 0.00 0.00 19.45 18.41 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 1.78 7.05 0.53 0.00 3.84 -1.26 -4.86 114.94 122.02 1trv s ASN 93 Ca 0.03 -3.44 0.18 0.00 0.21 0.00 0.00 52.86 49.83 1trv s ASN 93 Cb 0.02 -2.17 1.32 0.00 -0.55 0.00 0.00 41.25 39.87 1trv s ASN 93 CO -0.00 -0.33 2.15 0.07 -2.79 0.00 0.00 177.10 176.20 1trv h LYS 94 N 6.80 0.00 -0.07 0.43 -0.00 -1.99 -0.83 116.57 120.90 1trv h LYS 94 Ca 0.16 0.00 -0.09 0.00 -0.00 0.00 0.00 60.65 60.72 1trv h LYS 94 Cb 0.90 0.00 -0.01 0.00 -0.00 0.00 0.00 32.23 33.12 1trv h LYS 94 CO 0.95 0.00 -0.38 0.93 -0.00 0.00 0.00 179.45 180.95 1trv h GLU 95 N 0.00 0.15 -0.18 0.07 5.08 -1.99 -2.61 114.58 115.10 1trv h GLU 95 Ca 0.02 -0.06 -0.03 0.00 -1.00 0.00 0.00 59.36 58.28 1trv h GLU 95 Cb 0.07 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.31 1trv h GLU 95 CO -0.00 0.51 -0.03 -0.22 -1.00 0.00 0.00 179.01 178.28 1trv h LYS 96 N 0.13 0.26 -0.96 2.33 3.64 -1.55 -2.06 116.57 118.36 1trv h LYS 96 Ca 0.01 -0.04 0.22 0.00 -1.27 0.00 0.00 60.65 59.58 1trv h LYS 96 Cb 0.73 -0.05 -0.08 0.00 -0.41 0.00 0.00 32.23 32.43 1trv h LYS 96 CO 0.05 0.31 0.63 -0.07 -2.27 0.00 0.00 179.45 178.11 1trv h LEU 97 N 0.26 0.44 0.51 5.20 3.38 -1.48 0.25 115.31 123.86 1trv h LEU 97 Ca 0.06 0.06 -0.02 0.00 0.09 0.00 0.00 57.88 58.06 1trv h LEU 97 Cb 0.22 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.96 1trv h LEU 97 CO 0.01 0.15 -0.24 -0.08 0.09 0.00 0.00 178.44 178.36 1trv h GLU 98 N 0.42 -0.65 -0.23 1.13 4.57 -1.52 0.13 114.58 118.43 1trv h GLU 98 Ca 0.52 0.04 0.07 0.00 -1.18 0.00 0.00 59.36 58.81 1trv h GLU 98 Cb 1.28 0.15 -0.01 0.00 -0.16 0.00 0.00 28.75 30.01 1trv h GLU 98 CO -0.22 -0.44 0.20 0.00 -1.18 0.00 0.00 179.01 177.37 1trv h ALA 99 N -1.63 2.04 -0.14 2.92 0.00 -1.51 -1.46 119.26 119.47 1trv h ALA 99 Ca -0.07 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.72 1trv h ALA 99 Cb 0.52 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.33 1trv h ALA 99 CO 0.11 -0.32 -0.34 1.15 0.00 0.00 0.00 179.25 179.86 1trv h THR 100 N 0.00 1.36 -0.58 0.00 2.02 -0.20 -2.99 112.91 112.52 1trv h THR 100 Ca 0.11 -1.61 0.03 0.00 0.77 0.00 0.00 66.41 65.71 1trv h THR 100 Cb 0.50 2.02 -0.03 0.00 -1.74 0.00 0.00 68.15 68.90 1trv h THR 100 CO -0.00 0.48 0.39 0.40 0.37 0.00 0.00 175.52 177.16 1trv h ILE 101 N 0.10 1.08 0.00 3.11 2.04 0.34 0.42 117.51 124.60 1trv h ILE 101 Ca -0.00 -0.23 0.00 0.00 1.00 0.00 0.00 64.86 65.62 1trv h ILE 101 Cb 0.94 0.33 0.00 0.00 -0.74 0.00 0.00 36.82 37.36 1trv h ILE 101 CO 0.07 0.12 0.00 -3.20 0.00 0.00 0.00 178.15 175.15 1trv n ASN 102 N -4.47 0.00 -0.04 1.72 2.85 -1.01 -2.12 115.26 112.19 1trv n ASN 102 Ca 0.07 -0.80 -0.08 0.00 -0.11 0.00 0.00 54.58 53.66 1trv n ASN 102 Cb 0.13 -0.01 -0.07 0.00 1.24 0.00 0.00 39.78 41.07 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 4.22 0.00 -3.35 114.58 116.14 1trv h GLU 103 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.44 1trv h GLU 103 Cb 0.01 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.27 1trv h GLU 103 CO 0.00 0.47 0.00 1.28 -2.18 0.00 0.00 179.01 178.58 1trv n LEU 104 N -4.73 4.79 0.00 1.64 4.77 -1.23 -5.13 117.00 117.11 1trv n LEU 104 Ca -0.06 -2.82 0.02 0.00 -0.03 0.00 0.00 56.01 53.12 1trv n LEU 104 Cb 0.25 -0.59 0.09 0.00 -2.33 0.00 0.00 43.42 40.84 1trv n LEU 104 CO 0.19 0.69 0.33 0.55 -1.33 0.00 0.00 177.39 177.82