#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 0.07 -0.17 2.03 1.01 -1.26 -4.09 120.40 117.99 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 0.08 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 -3.77 0.29 -0.06 2.72 2.20 -1.19 -5.02 119.74 114.91 1trv s LYS 3 Ca 0.39 0.89 -0.30 0.00 -0.36 0.00 0.00 55.97 56.59 1trv s LYS 3 Cb 0.04 0.14 -0.02 0.00 -1.51 0.00 0.00 37.83 36.49 1trv s LYS 3 CO 0.20 -0.24 0.99 -1.14 -0.36 0.00 0.00 175.35 174.80 1trv s GLN 4 N 2.24 4.48 -0.22 4.03 0.74 -1.26 -1.46 119.66 128.22 1trv s GLN 4 Ca -0.03 1.39 -0.18 0.00 0.05 0.00 0.00 55.36 56.59 1trv s GLN 4 Cb -0.11 -3.50 -0.03 0.00 1.10 0.00 0.00 33.01 30.46 1trv s GLN 4 CO -0.11 -0.19 0.49 0.42 -0.55 0.00 0.00 175.29 175.34 1trv s ILE 5 N 1.55 5.12 -0.10 -2.34 -1.09 -0.45 -4.93 121.20 118.95 1trv s ILE 5 Ca 0.50 0.87 0.16 0.00 -2.23 0.00 0.00 60.65 59.94 1trv s ILE 5 Cb -0.19 -3.81 -0.20 0.00 -1.58 0.00 0.00 42.46 36.67 1trv s ILE 5 CO 0.22 0.16 0.60 -0.62 -1.23 0.00 0.00 174.94 174.08 1trv n GLU 6 N 4.96 0.64 -0.15 2.79 1.02 -1.26 -4.43 120.64 124.21 1trv n GLU 6 Ca -0.05 0.18 0.00 0.00 -0.02 0.00 0.00 57.16 57.27 1trv n GLU 6 Cb 0.50 -1.73 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 -2.89 0.00 0.13 1.62 3.41 -1.26 -4.19 113.62 110.44 1trv n SER 7 Ca -0.17 -0.15 0.03 0.00 -0.26 0.00 0.00 58.87 58.33 1trv n SER 7 Cb 0.97 0.00 0.02 0.00 -0.26 0.00 0.00 64.21 64.93 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 -0.07 4.33 3.64 -1.94 -3.16 116.57 119.38 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 0.41 -0.01 1.15 -2.27 0.00 0.00 179.45 178.73 1trv h THR 9 N 0.00 0.95 -0.16 1.00 2.02 -2.00 -0.88 112.91 113.83 1trv h THR 9 Ca -0.03 -0.01 -0.11 0.00 0.77 0.00 0.00 66.41 67.04 1trv h THR 9 Cb 1.38 0.93 -0.01 0.00 -1.74 0.00 0.00 68.15 68.70 1trv h THR 9 CO 0.05 0.00 -0.37 0.00 0.37 0.00 0.00 175.52 175.58 1trv h ALA 10 N 1.06 1.07 -0.29 6.16 0.00 -1.98 -2.46 119.26 122.82 1trv h ALA 10 Ca 0.03 -0.40 0.01 0.00 0.00 0.00 0.00 54.91 54.55 1trv h ALA 10 Cb 0.04 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 1trv h ALA 10 CO -0.06 0.59 0.17 0.35 0.00 0.00 0.00 179.25 180.30 1trv h PHE 11 N 0.30 0.33 0.25 0.00 3.57 -1.35 0.46 116.94 120.49 1trv h PHE 11 Ca 0.03 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.53 1trv h PHE 11 Cb 0.79 -0.11 0.00 0.00 2.79 0.00 0.00 35.95 39.43 1trv h PHE 11 CO 0.02 0.20 -0.12 0.37 -2.23 0.00 0.00 178.31 176.55 1trv h GLN 12 N 0.36 -0.33 0.00 1.11 4.15 -1.04 -2.28 115.11 117.08 1trv h GLN 12 Ca 0.11 0.02 -0.01 0.00 0.77 0.00 0.00 58.65 59.55 1trv h GLN 12 Cb -0.01 0.07 -0.00 0.00 0.21 0.00 0.00 27.48 27.75 1trv h GLN 12 CO -0.04 -0.08 -0.02 0.93 -1.93 0.00 0.00 178.83 177.68 1trv h GLU 13 N -0.54 0.00 -0.06 1.69 5.08 -1.29 -1.91 114.58 117.55 1trv h GLU 13 Ca -0.03 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.31 1trv h GLU 13 Cb 0.40 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.65 1trv h GLU 13 CO 0.06 0.02 -0.02 0.00 -1.00 0.00 0.00 179.01 178.07 1trv h ALA 14 N 1.98 0.09 0.00 3.43 0.00 0.37 -1.42 119.26 123.70 1trv h ALA 14 Ca -0.00 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 54.66 1trv h ALA 14 Cb 0.06 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 1trv h ALA 14 CO 0.00 -0.18 -0.14 -0.07 0.00 0.00 0.00 179.25 178.86 1trv h LEU 15 N -0.23 0.00 -0.07 0.00 3.38 -0.86 -1.25 115.31 116.27 1trv h LEU 15 Ca 0.02 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.93 1trv h LEU 15 Cb 0.43 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.18 1trv h LEU 15 CO 0.01 0.14 -0.16 -0.78 0.09 0.00 0.00 178.44 177.74 1trv h ASP 16 N 0.00 0.27 1.19 -0.43 1.82 -1.00 -3.08 116.42 115.18 1trv h ASP 16 Ca -0.00 -0.58 -0.00 0.00 -0.39 0.00 0.00 57.03 56.06 1trv h ASP 16 Cb 0.38 -0.08 -0.00 0.00 0.68 0.00 0.00 39.33 40.31 1trv h ASP 16 CO 0.02 0.79 -0.01 0.00 -1.61 0.00 0.00 179.24 178.43 1trv h ALA 17 N 0.48 1.00 0.00 -0.78 0.00 -0.95 -2.82 119.26 116.19 1trv h ALA 17 Ca 0.00 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 1trv h ALA 17 Cb 0.75 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 1trv h ALA 17 CO 0.04 0.01 -0.19 0.00 0.00 0.00 0.00 179.25 179.11 1trv h ALA 18 N 1.99 1.40 0.00 0.00 0.00 -1.14 -3.47 119.26 118.04 1trv h ALA 18 Ca -0.00 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1trv h ALA 18 Cb 0.61 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.37 1trv h ALA 18 CO 0.00 0.24 0.00 0.41 0.00 0.00 0.00 179.25 179.90 1trv n GLY 19 N -0.70 1.60 0.00 0.00 0.00 -1.07 -3.61 105.19 101.42 1trv n GLY 19 Ca -0.02 -0.36 0.00 0.00 0.00 0.00 0.00 46.02 45.64 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 8.14 0.00 -4.30 1.61 8.00 -1.26 -4.58 116.55 124.15 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 0.18 0.00 -0.02 0.00 0.00 41.12 41.28 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 0.39 0.75 -1.24 1.02 -1.24 -4.38 119.74 115.04 1trv s LYS 21 Ca 0.00 -0.06 -0.14 0.00 0.02 0.00 0.00 55.97 55.79 1trv s LYS 21 Cb 0.00 -1.78 0.05 0.00 -0.52 0.00 0.00 37.83 35.58 1trv s LYS 21 CO 0.00 -2.64 1.18 -1.17 -0.92 0.00 0.00 175.35 171.79 1trv s LEU 22 N -6.20 3.23 -0.29 3.17 0.20 -1.26 -4.32 118.68 113.22 1trv s LEU 22 Ca 0.69 2.24 0.00 0.00 0.69 0.00 0.00 54.13 57.75 1trv s LEU 22 Cb -0.09 -4.58 0.14 0.00 -0.43 0.00 0.00 46.19 41.23 1trv s LEU 22 CO 0.54 -2.30 0.33 -0.69 -0.29 0.00 0.00 176.35 173.94 1trv s VAL 23 N -2.21 -0.48 0.57 1.68 1.01 -0.08 -3.09 120.40 117.81 1trv s VAL 23 Ca 0.71 -0.40 -0.02 0.00 0.00 0.00 0.00 61.98 62.27 1trv s VAL 23 Cb -0.26 -0.97 0.03 0.00 0.00 0.00 0.00 36.38 35.18 1trv s VAL 23 CO 0.48 -0.39 0.83 -0.69 0.00 0.00 0.00 175.10 175.33 1trv s VAL 24 N 2.42 3.05 0.02 2.92 1.01 -0.45 -0.17 120.40 129.21 1trv s VAL 24 Ca 0.10 -0.41 -0.03 0.00 0.00 0.00 0.00 61.98 61.64 1trv s VAL 24 Cb -0.14 -3.19 -0.01 0.00 0.00 0.00 0.00 36.38 33.04 1trv s VAL 24 CO -0.31 -0.16 0.03 -0.69 0.00 0.00 0.00 175.10 173.97 1trv s VAL 25 N -2.87 0.11 -0.23 2.92 1.01 -0.60 -2.48 120.40 118.25 1trv s VAL 25 Ca 0.55 -0.92 0.01 0.00 0.00 0.00 0.00 61.98 61.63 1trv s VAL 25 Cb -0.10 -0.46 0.06 0.00 0.00 0.00 0.00 36.38 35.87 1trv s VAL 25 CO 0.41 -0.51 -0.07 -0.62 0.00 0.00 0.00 175.10 174.31 1trv s ASP 26 N -1.60 3.86 -0.49 3.32 -1.08 -1.02 -2.92 116.67 116.74 1trv s ASP 26 Ca -0.13 -1.16 -0.15 0.00 -0.52 0.00 0.00 52.55 50.60 1trv s ASP 26 Cb -0.07 -1.25 0.09 0.00 -1.46 0.00 0.00 42.92 40.23 1trv s ASP 26 CO -0.01 -0.21 0.41 -0.36 0.52 0.00 0.00 175.17 175.52 1trv s PHE 27 N 1.35 3.26 0.10 -5.34 0.40 -0.10 -1.35 117.98 116.30 1trv s PHE 27 Ca -0.05 -1.12 0.00 0.00 -0.60 0.00 0.00 56.93 55.16 1trv s PHE 27 Cb -0.19 -3.35 0.00 0.00 0.51 0.00 0.00 43.02 39.99 1trv s PHE 27 CO -0.06 -0.87 0.02 -1.13 0.70 0.00 0.00 175.22 173.87 1trv n SER 28 N 5.18 1.99 -3.69 1.36 3.41 -1.16 -1.61 113.62 119.10 1trv n SER 28 Ca -0.13 -1.40 -0.26 0.00 -0.26 0.00 0.00 58.87 56.83 1trv n SER 28 Cb 0.42 0.04 -0.17 0.00 -0.26 0.00 0.00 64.21 64.25 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 -2.16 0.68 -0.01 7.33 0.00 -1.10 -3.07 121.76 123.44 1trv s ALA 29 Ca 0.02 -0.41 -0.25 0.00 0.00 0.00 0.00 51.96 51.32 1trv s ALA 29 Cb -0.00 -1.03 -0.18 0.00 0.00 0.00 0.00 23.12 21.92 1trv s ALA 29 CO 0.01 -1.03 1.22 0.00 0.00 0.00 0.00 175.76 175.96 1trv h THR 30 N 6.45 1.01 -0.43 0.00 1.03 -1.96 -2.67 112.91 116.34 1trv h THR 30 Ca -0.16 -0.86 0.12 0.00 -0.01 0.00 0.00 66.41 65.51 1trv h THR 30 Cb 1.13 1.52 -0.02 0.00 -1.07 0.00 0.00 68.15 69.72 1trv h THR 30 CO 0.29 0.20 0.65 4.11 -0.01 0.00 0.00 175.52 180.76 1trv h TRP 31 N -0.62 0.00 -3.50 0.00 5.08 -1.96 -3.39 115.95 111.56 1trv h TRP 31 Ca -0.02 0.00 -0.50 0.00 1.08 0.00 0.00 58.89 59.45 1trv h TRP 31 Cb 0.47 0.00 0.01 0.00 -3.00 0.00 0.00 29.16 26.64 1trv h TRP 31 CO 0.05 0.00 0.05 0.00 -1.28 0.00 0.00 178.44 177.26 1trv n GLY 33 N -1.65 -0.58 0.24 0.00 0.00 -1.26 -4.39 105.19 97.56 1trv n GLY 33 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.98 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 -0.22 0.43 -1.48 1.61 0.11 -1.96 -0.34 132.00 130.15 1trv h PRO 34 Ca 0.00 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.08 1trv h PRO 34 Cb 0.15 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 31.17 1trv h PRO 34 CO 0.00 0.29 0.00 0.00 -0.21 0.00 0.00 178.00 178.08 1trv n LYS 36 N 0.89 0.00 0.00 0.00 4.81 -0.16 -2.71 118.16 121.00 1trv n LYS 36 Ca 0.00 0.00 0.08 0.00 -0.87 0.00 0.00 58.31 57.52 1trv n LYS 36 Cb 0.34 -0.49 0.48 0.00 0.02 0.00 0.00 35.03 35.37 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 -0.68 0.45 -0.25 1.64 1.56 -1.10 -1.82 117.12 116.91 1trv n MET 37 Ca 0.00 0.04 0.12 0.00 -0.27 0.00 0.00 57.70 57.58 1trv n MET 37 Cb 0.00 -1.50 0.26 0.00 2.15 0.00 0.00 33.22 34.13 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 -1.08 0.67 0.09 1.12 5.41 -1.26 -4.31 119.36 119.99 1trv n ILE 38 Ca 0.11 -0.80 -0.04 0.00 1.00 0.00 0.00 62.75 63.02 1trv n ILE 38 Cb 0.08 0.73 -0.07 0.00 -0.71 0.00 0.00 39.64 39.67 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 4.19 0.00 0.00 0.38 2.10 -1.71 -3.17 116.57 118.36 1trv h LYS 39 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1trv h LYS 39 Cb 0.94 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.27 1trv h LYS 39 CO 0.00 0.83 0.00 -0.35 -2.00 0.00 0.00 179.45 177.93 1trv n PRO 40 N -3.31 0.14 -0.07 0.07 -0.05 -1.26 -1.25 135.00 129.27 1trv n PRO 40 Ca 0.01 0.40 -0.06 0.00 -0.05 0.00 0.00 63.50 63.79 1trv n PRO 40 Cb 0.87 -1.78 -0.03 0.00 -0.05 0.00 0.00 33.50 32.51 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 -0.27 0.54 0.04 -1.84 -3.08 116.94 112.33 1trv h PHE 41 Ca 0.00 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.77 1trv h PHE 41 Cb 0.30 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.44 1trv h PHE 41 CO 0.00 0.26 0.17 0.35 -0.60 0.00 0.00 178.31 178.49 1trv h PHE 42 N -1.00 0.36 0.00 -0.55 3.57 -1.56 -2.25 116.94 115.51 1trv h PHE 42 Ca -0.04 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.43 1trv h PHE 42 Cb 0.49 -0.12 -0.00 0.00 2.79 0.00 0.00 35.95 39.11 1trv h PHE 42 CO -0.08 0.26 -0.11 1.25 -2.23 0.00 0.00 178.31 177.40 1trv h HIS 43 N 0.35 0.00 -0.14 0.41 2.76 -1.37 -1.97 115.15 115.19 1trv h HIS 43 Ca 0.10 0.00 -0.10 0.00 -2.20 0.00 0.00 60.37 58.17 1trv h HIS 43 Cb 0.01 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 28.95 1trv h HIS 43 CO -0.05 0.11 -0.36 0.66 -1.30 0.00 0.00 177.93 177.00 1trv h SER 44 N 0.00 0.30 -0.29 3.26 4.64 -1.31 -2.48 113.55 117.68 1trv h SER 44 Ca -0.00 -0.12 0.08 0.00 -0.47 0.00 0.00 61.79 61.29 1trv h SER 44 Cb 0.23 -0.08 -0.01 0.00 -0.31 0.00 0.00 62.40 62.22 1trv h SER 44 CO 0.01 0.65 0.22 -0.07 -0.87 0.00 0.00 176.83 176.77 1trv h LEU 45 N 0.25 0.00 -1.00 5.97 3.38 -1.19 -1.62 115.31 121.10 1trv h LEU 45 Ca 0.03 0.00 0.20 0.00 0.09 0.00 0.00 57.88 58.20 1trv h LEU 45 Cb 0.76 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 41.40 1trv h LEU 45 CO 0.06 0.00 0.60 0.28 0.09 0.00 0.00 178.44 179.47 1trv h SER 46 N 0.00 0.75 0.96 -0.43 0.02 -1.53 0.24 113.55 113.57 1trv h SER 46 Ca 0.14 0.11 0.00 0.00 -0.84 0.00 0.00 61.79 61.19 1trv h SER 46 Cb 0.57 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 63.08 1trv h SER 46 CO -0.00 0.24 -1.01 -0.62 -1.14 0.00 0.00 176.83 174.29 1trv n GLU 47 N -4.80 0.59 0.06 3.45 1.02 -0.63 -3.90 120.64 116.43 1trv n GLU 47 Ca 0.24 0.11 -0.15 0.00 -0.02 0.00 0.00 57.16 57.34 1trv n GLU 47 Cb 0.60 -1.81 -0.14 0.00 -0.02 0.00 0.00 31.44 30.07 1trv n GLU 47 CO 0.00 0.00 0.00 -0.22 1.18 0.00 0.00 177.13 178.09 1trv h LYS 48 N 0.00 0.20 -2.49 3.49 3.64 -0.93 -3.39 116.57 117.09 1trv h LYS 48 Ca 0.00 -0.34 -0.61 0.00 -1.27 0.00 0.00 60.65 58.44 1trv h LYS 48 Cb 0.99 0.13 -0.42 0.00 -0.41 0.00 0.00 32.23 32.51 1trv h LYS 48 CO 0.00 1.06 -0.61 0.66 -2.27 0.00 0.00 179.45 178.29 1trv n TYR 49 N -3.41 3.29 0.73 1.91 4.01 0.70 -4.88 117.16 119.51 1trv n TYR 49 Ca -0.13 -4.17 0.06 0.00 -0.16 0.00 0.00 57.90 53.50 1trv n TYR 49 Cb 1.03 -0.56 0.36 0.00 -0.31 0.00 0.00 39.34 39.86 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 1.28 0.00 -1.34 7.72 3.41 -1.25 -1.53 113.62 121.91 1trv n SER 50 Ca 0.26 -0.27 0.11 0.00 -0.26 0.00 0.00 58.87 58.71 1trv n SER 50 Cb 0.40 -0.07 0.31 0.00 -0.26 0.00 0.00 64.21 64.59 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 -1.07 3.89 -4.18 4.04 5.15 -1.26 -4.90 115.26 116.93 1trv n ASN 51 Ca 0.09 -2.08 -0.20 0.00 -0.60 0.00 0.00 54.58 51.78 1trv n ASN 51 Cb 0.06 -0.49 -0.13 0.00 -0.53 0.00 0.00 39.78 38.69 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 -1.22 1.21 -0.29 3.44 1.01 -0.58 -4.73 120.40 119.24 1trv s VAL 52 Ca 0.47 -1.19 -0.12 0.00 0.00 0.00 0.00 61.98 61.14 1trv s VAL 52 Cb 0.26 -1.12 -0.04 0.00 0.00 0.00 0.00 36.38 35.48 1trv s VAL 52 CO 0.30 -0.08 0.23 -0.63 0.00 0.00 0.00 175.10 174.92 1trv s ILE 53 N -1.05 5.28 -0.13 2.22 -1.09 -1.18 -4.81 121.20 120.44 1trv s ILE 53 Ca 0.01 0.16 -0.02 0.00 -2.23 0.00 0.00 60.65 58.57 1trv s ILE 53 Cb -0.09 -3.59 -0.03 0.00 -1.58 0.00 0.00 42.46 37.18 1trv s ILE 53 CO 0.02 0.19 -0.06 -0.36 -1.23 0.00 0.00 174.94 173.50 1trv s PHE 54 N 1.80 2.97 0.39 3.97 0.08 -1.26 -1.34 117.98 124.60 1trv s PHE 54 Ca 0.08 -0.29 0.08 0.00 0.12 0.00 0.00 56.93 56.92 1trv s PHE 54 Cb -0.16 -1.88 -0.04 0.00 -0.57 0.00 0.00 43.02 40.37 1trv s PHE 54 CO 0.11 0.02 0.23 -0.51 -0.10 0.00 0.00 175.22 174.97 1trv s LEU 55 N 0.08 3.26 -0.21 -0.37 1.02 -1.04 -3.18 118.68 118.24 1trv s LEU 55 Ca -0.02 -0.87 -0.04 0.00 0.02 0.00 0.00 54.13 53.22 1trv s LEU 55 Cb -0.14 -1.74 0.08 0.00 0.02 0.00 0.00 46.19 44.41 1trv s LEU 55 CO 0.03 -0.50 0.13 -0.70 0.02 0.00 0.00 176.35 175.33 1trv s GLU 56 N -3.96 0.12 0.13 1.70 2.12 -0.53 -2.42 118.70 115.86 1trv s GLU 56 Ca 0.42 -0.16 0.04 0.00 0.36 0.00 0.00 54.97 55.63 1trv s GLU 56 Cb -0.00 -1.52 -0.04 0.00 0.26 0.00 0.00 34.13 32.83 1trv s GLU 56 CO 0.24 -0.78 0.10 0.08 -0.54 0.00 0.00 175.26 174.37 1trv s VAL 57 N 2.16 4.43 -0.16 3.70 1.01 -0.46 -1.34 120.40 129.75 1trv s VAL 57 Ca 0.05 -0.98 0.02 0.00 0.00 0.00 0.00 61.98 61.06 1trv s VAL 57 Cb -0.16 -3.21 0.02 0.00 0.00 0.00 0.00 36.38 33.03 1trv s VAL 57 CO -0.18 -0.01 -0.21 -0.62 0.00 0.00 0.00 175.10 174.08 1trv s ASP 58 N -2.79 3.13 0.00 3.32 2.15 -1.26 -3.01 116.67 118.21 1trv s ASP 58 Ca 0.30 -0.63 0.08 0.00 0.43 0.00 0.00 52.55 52.73 1trv s ASP 58 Cb -0.11 -1.46 0.42 0.00 -0.30 0.00 0.00 42.92 41.47 1trv s ASP 58 CO 0.22 0.04 1.12 1.33 -0.17 0.00 0.00 175.17 177.72 1trv n VAL 59 N 4.36 0.78 -0.11 1.11 0.24 -1.17 0.41 118.33 123.94 1trv n VAL 59 Ca -0.21 0.20 -0.21 0.00 -2.04 0.00 0.00 64.34 62.08 1trv n VAL 59 Cb 0.51 -1.06 -0.09 0.00 -1.47 0.00 0.00 33.84 31.73 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 -1.27 1.82 0.07 -1.34 9.92 -1.26 -3.65 116.55 120.83 1trv n ASP 60 Ca 0.04 0.16 0.00 0.00 -0.53 0.00 0.00 54.79 54.46 1trv n ASP 60 Cb 0.06 -0.57 -0.05 0.00 -0.64 0.00 0.00 41.12 39.93 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 -0.57 0.00 -0.46 -2.24 3.58 -1.90 -3.35 116.42 111.48 1trv h ASP 61 Ca -0.54 0.00 -0.34 0.00 0.42 0.00 0.00 57.03 56.57 1trv h ASP 61 Cb 1.57 0.00 -0.27 0.00 1.72 0.00 0.00 39.33 42.35 1trv h ASP 61 CO -0.27 0.58 -0.70 0.00 -2.88 0.00 0.00 179.24 175.97 1trv n ALA 62 N -2.34 4.50 0.26 -0.78 0.00 0.16 -4.71 120.51 117.60 1trv n ALA 62 Ca -0.06 -3.60 0.13 0.00 0.00 0.00 0.00 53.44 49.91 1trv n ALA 62 Cb 0.81 -0.33 0.69 0.00 0.00 0.00 0.00 19.45 20.62 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 1.73 0.00 -0.23 0.00 3.07 -1.62 0.13 115.11 118.19 1trv h GLN 63 Ca 0.23 0.00 -0.16 0.00 0.09 0.00 0.00 58.65 58.81 1trv h GLN 63 Cb 1.33 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.89 1trv h GLN 63 CO 0.47 0.00 -0.52 0.38 0.09 0.00 0.00 178.83 179.25 1trv h ASP 64 N 0.00 0.72 0.83 0.06 3.04 -1.89 -2.59 116.42 116.59 1trv h ASP 64 Ca 0.00 -0.37 -0.23 0.00 -3.24 0.00 0.00 57.03 53.19 1trv h ASP 64 Cb 0.46 -0.21 -0.02 0.00 -1.04 0.00 0.00 39.33 38.53 1trv h ASP 64 CO 0.00 1.11 -1.06 0.58 -2.04 0.00 0.00 179.24 177.83 1trv h VAL 65 N 0.51 1.62 -0.71 4.15 2.07 -1.07 -3.24 116.25 119.58 1trv h VAL 65 Ca 0.02 -3.20 -0.04 0.00 0.82 0.00 0.00 66.70 64.30 1trv h VAL 65 Cb 1.07 2.83 -0.03 0.00 -1.52 0.00 0.00 31.29 33.64 1trv h VAL 65 CO 0.10 0.92 0.30 0.00 0.02 0.00 0.00 177.57 178.92 1trv h ALA 66 N 0.87 1.20 0.00 1.67 0.00 -1.38 -1.66 119.26 119.96 1trv h ALA 66 Ca -0.05 -0.17 -0.05 0.00 0.00 0.00 0.00 54.91 54.64 1trv h ALA 66 Cb 1.80 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 19.30 1trv h ALA 66 CO 0.15 0.59 -0.24 0.77 0.00 0.00 0.00 179.25 180.53 1trv h SER 67 N 1.02 0.00 0.49 0.00 0.02 -1.49 0.31 113.55 113.90 1trv h SER 67 Ca 0.24 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 61.17 1trv h SER 67 Cb 0.17 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.71 1trv h SER 67 CO -0.02 0.24 -0.24 -0.08 -1.14 0.00 0.00 176.83 175.59 1trv h GLU 68 N 0.00 -0.63 -0.00 3.45 4.57 -1.34 -2.22 114.58 118.40 1trv h GLU 68 Ca -0.00 0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.22 1trv h GLU 68 Cb 0.43 0.14 0.00 0.00 -0.16 0.00 0.00 28.75 29.17 1trv h GLU 68 CO 0.03 -0.39 -0.04 0.00 -1.18 0.00 0.00 179.01 177.43 1trv n ALA 69 N -2.41 2.64 -3.46 2.92 0.00 -1.12 -4.93 120.51 114.14 1trv n ALA 69 Ca -0.12 -0.22 -0.22 0.00 0.00 0.00 0.00 53.44 52.89 1trv n ALA 69 Cb 0.29 -1.42 0.05 0.00 0.00 0.00 0.00 19.45 18.36 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 -1.01 -1.60 -2.83 0.00 1.02 0.10 -4.89 120.64 111.44 1trv n GLU 70 Ca 0.17 0.74 -0.43 0.00 -0.02 0.00 0.00 57.16 57.62 1trv n GLU 70 Cb 0.23 -4.82 -0.04 0.00 -0.02 0.00 0.00 31.44 26.79 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 -3.36 4.48 -0.33 2.62 1.01 -0.87 -4.86 120.40 119.10 1trv s VAL 71 Ca 0.39 0.73 0.15 0.00 0.00 0.00 0.00 61.98 63.25 1trv s VAL 71 Cb -0.10 -4.43 0.49 0.00 0.00 0.00 0.00 36.38 32.34 1trv s VAL 71 CO 0.81 -0.83 1.39 0.29 0.00 0.00 0.00 175.10 176.76 1trv n LYS 72 N 7.14 2.95 -3.19 2.72 4.76 -1.26 -4.87 118.16 126.41 1trv n LYS 72 Ca 0.06 -2.69 0.01 0.00 -2.87 0.00 0.00 58.31 52.81 1trv n LYS 72 Cb 0.48 -1.74 -0.02 0.00 -1.84 0.00 0.00 35.03 31.91 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 -2.46 -2.04 0.14 7.82 0.00 -1.26 -5.16 121.76 118.79 1trv s ALA 73 Ca 0.39 1.24 0.03 0.00 0.00 0.00 0.00 51.96 53.62 1trv s ALA 73 Cb 0.30 -2.24 -0.04 0.00 0.00 0.00 0.00 23.12 21.14 1trv s ALA 73 CO 0.10 -1.56 0.20 0.95 0.00 0.00 0.00 175.76 175.45 1trv s THR 74 N 2.77 4.92 0.74 0.00 -4.23 -1.26 -4.20 115.64 114.38 1trv s THR 74 Ca 0.14 -0.82 -0.11 0.00 -1.18 0.00 0.00 61.69 59.73 1trv s THR 74 Cb -0.13 -3.50 0.03 0.00 1.34 0.00 0.00 72.50 70.25 1trv s THR 74 CO -0.23 -0.05 1.08 -2.16 -0.54 0.00 0.00 174.62 172.72 1trv s PRO 75 N -3.02 2.60 -0.01 3.99 0.04 -1.26 -4.92 135.00 132.42 1trv s PRO 75 Ca 0.33 0.68 -0.13 0.00 0.04 0.00 0.00 61.00 61.91 1trv s PRO 75 Cb -0.11 -1.97 0.02 0.00 0.04 0.00 0.00 34.50 32.47 1trv s PRO 75 CO 0.26 -1.27 0.27 0.99 0.04 0.00 0.00 177.00 177.29 1trv s THR 76 N -3.18 0.06 0.02 1.26 2.01 -0.63 -3.19 115.64 111.99 1trv s THR 76 Ca 0.59 -0.52 0.06 0.00 0.31 0.00 0.00 61.69 62.13 1trv s THR 76 Cb -0.13 -0.56 -0.02 0.00 0.01 0.00 0.00 72.50 71.79 1trv s THR 76 CO 0.54 -0.29 -0.19 -0.36 -0.69 0.00 0.00 174.62 173.64 1trv s PHE 77 N -1.31 1.65 0.04 4.92 0.40 -0.92 -0.93 117.98 121.83 1trv s PHE 77 Ca -0.14 -0.34 0.06 0.00 -0.60 0.00 0.00 56.93 55.91 1trv s PHE 77 Cb -0.06 -1.01 -0.02 0.00 0.51 0.00 0.00 43.02 42.44 1trv s PHE 77 CO 0.03 0.04 -0.17 -0.65 0.70 0.00 0.00 175.22 175.17 1trv s GLN 78 N -0.87 1.13 -0.36 0.44 -0.21 -1.15 -2.05 119.66 116.59 1trv s GLN 78 Ca 0.06 -0.80 -0.07 0.00 0.02 0.00 0.00 55.36 54.57 1trv s GLN 78 Cb -0.08 -1.18 0.05 0.00 1.00 0.00 0.00 33.01 32.81 1trv s GLN 78 CO 0.01 0.30 0.15 -0.06 -2.12 0.00 0.00 175.29 173.57 1trv s PHE 79 N -0.78 3.29 0.13 0.91 0.40 0.10 -1.56 117.98 120.47 1trv s PHE 79 Ca 0.04 -1.47 0.06 0.00 -0.60 0.00 0.00 56.93 54.96 1trv s PHE 79 Cb -0.08 -2.49 -0.04 0.00 0.51 0.00 0.00 43.02 40.93 1trv s PHE 79 CO 0.01 -0.76 0.01 -0.06 0.70 0.00 0.00 175.22 175.12 1trv s PHE 80 N 1.40 2.95 -0.18 0.36 0.08 0.77 -1.81 117.98 121.54 1trv s PHE 80 Ca 0.00 -0.07 -0.11 0.00 0.12 0.00 0.00 56.93 56.88 1trv s PHE 80 Cb -0.20 -1.48 0.06 0.00 -0.57 0.00 0.00 43.02 40.83 1trv s PHE 80 CO 0.03 0.49 0.45 0.21 -0.10 0.00 0.00 175.22 176.30 1trv s LYS 81 N -2.61 0.45 -1.35 0.44 2.20 -0.70 -0.90 119.74 117.26 1trv s LYS 81 Ca 0.27 0.83 0.00 0.00 -0.36 0.00 0.00 55.97 56.71 1trv s LYS 81 Cb -0.11 0.02 0.00 0.00 -1.51 0.00 0.00 37.83 36.23 1trv s LYS 81 CO 0.19 -0.15 0.00 1.63 -0.36 0.00 0.00 175.35 176.66 1trv n LYS 82 N 4.15 -1.35 -1.66 4.03 5.02 -1.26 0.77 118.16 127.87 1trv n LYS 82 Ca -0.22 0.75 0.00 0.00 -2.02 0.00 0.00 58.31 56.82 1trv n LYS 82 Cb 0.56 -5.02 0.00 0.00 -0.02 0.00 0.00 35.03 30.55 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 -0.28 0.44 2.86 0.72 0.00 -1.26 -5.04 105.19 102.63 1trv n GLY 83 Ca -0.13 -0.90 -0.24 0.00 0.00 0.00 0.00 46.02 44.76 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 -3.35 1.03 0.07 1.61 -0.21 0.23 -5.11 119.66 113.94 1trv s GLN 84 Ca 0.00 -0.10 -0.31 0.00 0.02 0.00 0.00 55.36 54.98 1trv s GLN 84 Cb 0.00 -1.16 -0.08 0.00 1.00 0.00 0.00 33.01 32.77 1trv s GLN 84 CO 0.00 -0.21 1.59 0.21 -2.12 0.00 0.00 175.29 174.76 1trv s LYS 85 N 1.53 4.22 -0.00 2.91 2.20 -1.26 -1.73 119.74 127.61 1trv s LYS 85 Ca -0.01 2.26 0.02 0.00 -0.36 0.00 0.00 55.97 57.88 1trv s LYS 85 Cb -0.13 -3.52 -0.02 0.00 -1.51 0.00 0.00 37.83 32.65 1trv s LYS 85 CO -0.04 -0.68 0.06 1.33 -0.36 0.00 0.00 175.35 175.66 1trv n VAL 86 N 4.58 0.00 -3.58 4.02 0.24 -0.75 -4.96 118.33 117.87 1trv n VAL 86 Ca 0.15 -0.34 -0.05 0.00 -2.04 0.00 0.00 64.34 62.06 1trv n VAL 86 Cb 0.41 0.84 -0.02 0.00 -1.47 0.00 0.00 33.84 33.60 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 -1.46 -0.31 -0.05 7.63 0.00 -1.19 -5.02 107.32 106.90 1trv s GLY 87 Ca 0.00 1.54 -0.31 0.00 0.00 0.00 0.00 44.72 45.95 1trv s GLY 87 CO 0.07 0.52 1.13 -1.83 0.00 0.00 0.00 173.10 172.99 1trv s GLU 88 N -2.49 0.56 -0.16 2.90 4.04 -1.26 0.02 118.70 122.31 1trv s GLU 88 Ca 0.09 -0.26 -0.30 0.00 0.04 0.00 0.00 54.97 54.53 1trv s GLU 88 Cb -0.01 0.23 0.14 0.00 0.02 0.00 0.00 34.13 34.50 1trv s GLU 88 CO -0.05 -0.25 1.06 -0.59 -1.84 0.00 0.00 175.26 173.59 1trv s PHE 89 N -2.69 -0.29 -0.05 4.83 -0.12 -0.87 -4.99 117.98 113.81 1trv s PHE 89 Ca 0.10 0.42 0.07 0.00 -0.05 0.00 0.00 56.93 57.47 1trv s PHE 89 Cb 0.01 0.48 -0.01 0.00 -0.63 0.00 0.00 43.02 42.86 1trv s PHE 89 CO -0.04 -0.31 -0.25 -1.54 -0.05 0.00 0.00 175.22 173.03 1trv s SER 90 N -1.40 3.11 0.00 1.98 1.04 -1.26 -2.17 113.70 115.00 1trv s SER 90 Ca 0.02 -0.49 0.00 0.00 0.48 0.00 0.00 55.95 55.97 1trv s SER 90 Cb -0.01 -0.69 0.00 0.00 0.10 0.00 0.00 66.02 65.42 1trv s SER 90 CO -0.02 0.27 0.00 0.61 0.98 0.00 0.00 173.24 175.08 1trv n GLY 91 N 2.77 4.10 1.72 7.32 0.00 -1.19 -4.97 105.19 114.93 1trv n GLY 91 Ca -0.17 -0.33 -0.05 0.00 0.00 0.00 0.00 46.02 45.47 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 -1.13 5.03 -3.37 4.61 0.00 -1.26 -4.70 120.51 119.68 1trv n ALA 92 Ca 0.00 -0.81 -0.44 0.00 0.00 0.00 0.00 53.44 52.19 1trv n ALA 92 Cb 0.00 -1.57 -0.01 0.00 0.00 0.00 0.00 19.45 17.87 1trv n ALA 92 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1trv s ASN 93 N 1.97 7.10 0.51 0.00 3.04 -1.26 -4.86 114.94 121.44 1trv s ASN 93 Ca 0.29 -3.48 0.18 0.00 0.04 0.00 0.00 52.86 49.89 1trv s ASN 93 Cb 0.14 -2.18 1.27 0.00 -1.54 0.00 0.00 41.25 38.94 1trv s ASN 93 CO -0.00 -0.32 2.08 0.07 -3.04 0.00 0.00 177.10 175.89 1trv h LYS 94 N 6.75 0.06 -0.11 0.43 2.10 -1.99 -0.58 116.57 123.23 1trv h LYS 94 Ca 0.16 -0.00 -0.10 0.00 -2.00 0.00 0.00 60.65 58.71 1trv h LYS 94 Cb 0.89 -0.01 -0.01 0.00 -0.90 0.00 0.00 32.23 32.19 1trv h LYS 94 CO 0.96 0.04 -0.36 0.93 -2.00 0.00 0.00 179.45 179.02 1trv h GLU 95 N 0.06 0.23 -0.32 0.07 5.08 -1.99 -2.74 114.58 114.97 1trv h GLU 95 Ca 0.11 -0.10 -0.03 0.00 -1.00 0.00 0.00 59.36 58.34 1trv h GLU 95 Cb 0.37 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.59 1trv h GLU 95 CO -0.01 0.57 0.06 -0.22 -1.00 0.00 0.00 179.01 178.41 1trv h LYS 96 N 0.20 0.47 -0.91 2.33 3.64 -1.51 -2.10 116.57 118.69 1trv h LYS 96 Ca 0.02 -0.08 0.22 0.00 -1.27 0.00 0.00 60.65 59.55 1trv h LYS 96 Cb 0.74 -0.08 -0.06 0.00 -0.41 0.00 0.00 32.23 32.41 1trv h LYS 96 CO 0.06 0.45 0.61 -0.07 -2.27 0.00 0.00 179.45 178.23 1trv h LEU 97 N 0.46 0.33 0.47 5.20 3.38 -1.49 0.19 115.31 123.86 1trv h LEU 97 Ca 0.11 0.04 -0.02 0.00 0.09 0.00 0.00 57.88 58.09 1trv h LEU 97 Cb 0.21 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.94 1trv h LEU 97 CO -0.00 0.13 -0.23 -0.08 0.09 0.00 0.00 178.44 178.35 1trv h GLU 98 N 0.33 -0.61 -0.11 1.13 4.81 -1.52 0.18 114.58 118.80 1trv h GLU 98 Ca 0.47 0.04 0.03 0.00 -0.13 0.00 0.00 59.36 59.77 1trv h GLU 98 Cb 1.29 0.14 -0.00 0.00 0.63 0.00 0.00 28.75 30.81 1trv h GLU 98 CO -0.16 -0.40 0.09 0.00 -0.73 0.00 0.00 179.01 177.81 1trv h ALA 99 N -1.66 1.94 -0.08 2.92 0.00 -1.53 -2.17 119.26 118.68 1trv h ALA 99 Ca -0.06 -0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.78 1trv h ALA 99 Cb 0.48 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.28 1trv h ALA 99 CO 0.11 -0.14 -0.18 1.15 0.00 0.00 0.00 179.25 180.18 1trv h THR 100 N 0.00 1.41 -0.64 0.00 2.02 -0.40 -2.92 112.91 112.38 1trv h THR 100 Ca 0.05 -1.51 0.03 0.00 0.77 0.00 0.00 66.41 65.76 1trv h THR 100 Cb 0.23 2.21 -0.04 0.00 -1.74 0.00 0.00 68.15 68.81 1trv h THR 100 CO -0.00 0.43 0.42 0.40 0.37 0.00 0.00 175.52 177.14 1trv h ILE 101 N -0.23 1.08 0.00 3.11 2.04 -0.02 0.43 117.51 123.92 1trv h ILE 101 Ca -0.00 -0.26 0.00 0.00 1.00 0.00 0.00 64.86 65.60 1trv h ILE 101 Cb 0.78 0.27 0.00 0.00 -0.74 0.00 0.00 36.82 37.13 1trv h ILE 101 CO 0.04 0.14 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 5.15 -0.96 -2.12 115.26 114.55 1trv n ASN 102 Ca 0.08 -0.82 -0.07 0.00 -0.60 0.00 0.00 54.58 53.17 1trv n ASN 102 Cb 0.14 -0.00 -0.06 0.00 -0.53 0.00 0.00 39.78 39.32 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 -0.46 1.20 4.22 0.05 -3.35 114.58 116.20 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 0.00 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.26 1trv h GLU 103 CO 0.00 0.39 0.00 1.28 -2.18 0.00 0.00 179.01 178.50 1trv n LEU 104 N -4.74 4.94 0.00 1.64 4.77 -1.23 -5.13 117.00 117.25 1trv n LEU 104 Ca -0.05 -2.91 0.02 0.00 -0.03 0.00 0.00 56.01 53.03 1trv n LEU 104 Cb 0.22 -0.62 0.09 0.00 -2.33 0.00 0.00 43.42 40.79 1trv n LEU 104 CO 0.16 0.66 0.34 0.55 -1.33 0.00 0.00 177.39 177.77