#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 0.05 -0.17 3.17 1.01 -1.26 -3.92 120.40 119.27 1trv s VAL 2 Ca 0.00 -1.94 -0.09 0.00 0.00 0.00 0.00 61.98 59.96 1trv s VAL 2 Cb 0.00 -2.28 0.06 0.00 0.00 0.00 0.00 36.38 34.16 1trv s VAL 2 CO 0.00 -0.21 0.41 -0.75 0.00 0.00 0.00 175.10 174.55 1trv s LYS 3 N -4.10 0.37 -0.03 2.72 2.20 -1.20 -5.01 119.74 114.68 1trv s LYS 3 Ca 0.32 0.83 -0.29 0.00 -0.36 0.00 0.00 55.97 56.47 1trv s LYS 3 Cb 0.07 0.03 -0.03 0.00 -1.51 0.00 0.00 37.83 36.39 1trv s LYS 3 CO 0.07 -0.18 0.93 -1.14 -0.36 0.00 0.00 175.35 174.68 1trv s GLN 4 N 1.62 4.51 -0.15 4.03 0.74 -1.26 -1.19 119.66 127.97 1trv s GLN 4 Ca -0.08 1.32 -0.18 0.00 0.05 0.00 0.00 55.36 56.47 1trv s GLN 4 Cb -0.09 -3.47 -0.04 0.00 1.10 0.00 0.00 33.01 30.51 1trv s GLN 4 CO -0.13 -0.08 0.46 0.42 -0.55 0.00 0.00 175.29 175.42 1trv s ILE 5 N 1.15 5.18 -0.09 -2.34 -1.09 -0.52 -4.93 121.20 118.56 1trv s ILE 5 Ca 0.49 0.90 0.10 0.00 -2.23 0.00 0.00 60.65 59.91 1trv s ILE 5 Cb -0.20 -3.80 -0.24 0.00 -1.58 0.00 0.00 42.46 36.65 1trv s ILE 5 CO 0.25 0.30 0.46 -0.62 -1.23 0.00 0.00 174.94 174.09 1trv n GLU 6 N 3.95 0.66 -0.06 2.79 1.02 -1.26 -4.50 120.64 123.25 1trv n GLU 6 Ca -0.07 0.23 0.00 0.00 -0.02 0.00 0.00 57.16 57.30 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 -3.06 0.00 0.10 1.62 3.41 -1.26 -4.23 113.62 110.19 1trv n SER 7 Ca -0.24 -0.05 0.00 0.00 -0.26 0.00 0.00 58.87 58.33 1trv n SER 7 Cb 1.07 0.00 -0.02 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 0.06 4.33 3.64 -1.93 -3.09 116.57 119.58 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 0.52 -0.09 1.15 -2.27 0.00 0.00 179.45 178.76 1trv h THR 9 N 0.00 0.78 0.00 1.00 2.02 -2.00 -1.29 112.91 113.42 1trv h THR 9 Ca -0.05 0.00 -0.10 0.00 0.77 0.00 0.00 66.41 67.04 1trv h THR 9 Cb 1.49 0.78 -0.01 0.00 -1.74 0.00 0.00 68.15 68.68 1trv h THR 9 CO 0.07 0.00 -0.45 0.00 0.37 0.00 0.00 175.52 175.51 1trv h ALA 10 N 0.73 1.22 0.07 6.16 0.00 -1.98 -2.80 119.26 122.67 1trv h ALA 10 Ca 0.01 -0.41 -0.00 0.00 0.00 0.00 0.00 54.91 54.51 1trv h ALA 10 Cb 0.20 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1trv h ALA 10 CO -0.05 0.57 -0.04 0.35 0.00 0.00 0.00 179.25 180.08 1trv h PHE 11 N 0.00 -0.09 -0.09 0.00 3.57 -1.26 0.15 116.94 119.21 1trv h PHE 11 Ca -0.00 -0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.49 1trv h PHE 11 Cb 0.82 0.03 -0.00 0.00 2.79 0.00 0.00 35.95 39.58 1trv h PHE 11 CO 0.00 -0.03 0.05 1.96 -2.23 0.00 0.00 178.31 178.06 1trv h GLN 12 N -0.13 0.13 -0.01 1.11 4.20 -1.19 -1.65 115.11 117.57 1trv h GLN 12 Ca -0.01 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.69 1trv h GLN 12 Cb 0.10 -0.02 -0.00 0.00 0.30 0.00 0.00 27.48 27.86 1trv h GLN 12 CO 0.02 0.19 0.01 0.93 -0.67 0.00 0.00 178.83 179.30 1trv h GLU 13 N 0.04 0.00 -0.05 1.46 5.08 -1.34 -1.77 114.58 118.00 1trv h GLU 13 Ca 0.03 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.38 1trv h GLU 13 Cb 0.10 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.35 1trv h GLU 13 CO -0.00 0.00 -0.02 0.00 -1.00 0.00 0.00 179.01 177.98 1trv h ALA 14 N 1.99 0.07 0.00 3.43 0.00 0.24 -2.17 119.26 122.82 1trv h ALA 14 Ca 0.00 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.67 1trv h ALA 14 Cb 0.02 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 1trv h ALA 14 CO -0.00 -0.19 -0.06 -0.07 0.00 0.00 0.00 179.25 178.92 1trv h LEU 15 N -0.29 0.00 -0.07 0.00 3.38 -0.88 -1.69 115.31 115.76 1trv h LEU 15 Ca 0.01 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.93 1trv h LEU 15 Cb 0.46 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.21 1trv h LEU 15 CO 0.01 0.06 -0.15 -0.78 0.09 0.00 0.00 178.44 177.67 1trv h ASP 16 N 0.00 0.26 1.18 -0.43 1.82 -0.99 -3.04 116.42 115.21 1trv h ASP 16 Ca -0.00 -0.57 0.00 0.00 -0.39 0.00 0.00 57.03 56.07 1trv h ASP 16 Cb 0.31 -0.07 0.00 0.00 0.68 0.00 0.00 39.33 40.25 1trv h ASP 16 CO 0.01 0.78 0.00 0.00 -1.61 0.00 0.00 179.24 178.42 1trv h ALA 17 N 0.48 1.00 -0.15 -0.78 0.00 -1.02 -2.87 119.26 115.92 1trv h ALA 17 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 1trv h ALA 17 Cb 0.74 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 1trv h ALA 17 CO 0.03 0.00 -0.18 0.00 0.00 0.00 0.00 179.25 179.10 1trv h ALA 18 N 2.01 1.42 0.00 0.00 0.00 -1.20 -3.48 119.26 118.02 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 0.59 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.29 1trv h ALA 18 CO 0.00 0.40 0.00 0.41 0.00 0.00 0.00 179.25 180.06 1trv n GLY 19 N -0.74 1.54 0.00 0.00 0.00 -1.09 -3.71 105.19 101.20 1trv n GLY 19 Ca -0.01 -0.43 0.00 0.00 0.00 0.00 0.00 46.02 45.58 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 5.95 0.00 -4.30 1.61 9.92 -1.26 -4.58 116.55 123.90 1trv n ASP 20 Ca 0.00 -1.00 -0.29 0.00 -0.53 0.00 0.00 54.79 52.97 1trv n ASP 20 Cb 0.00 0.00 0.18 0.00 -0.64 0.00 0.00 41.12 40.66 1trv n ASP 20 CO 0.00 0.00 0.00 -0.54 0.13 0.00 0.00 177.20 176.79 1trv s LYS 21 N 0.00 0.39 0.76 -1.24 1.02 -1.24 -4.35 119.74 115.09 1trv s LYS 21 Ca 0.00 -0.07 -0.13 0.00 0.02 0.00 0.00 55.97 55.79 1trv s LYS 21 Cb 0.00 -1.79 0.06 0.00 -0.52 0.00 0.00 37.83 35.58 1trv s LYS 21 CO 0.00 -2.63 1.16 -1.17 -0.92 0.00 0.00 175.35 171.78 1trv s LEU 22 N -6.19 3.19 -0.28 3.17 0.20 -1.26 -4.27 118.68 113.24 1trv s LEU 22 Ca 0.69 2.17 -0.00 0.00 0.69 0.00 0.00 54.13 57.67 1trv s LEU 22 Cb -0.09 -4.57 0.14 0.00 -0.43 0.00 0.00 46.19 41.24 1trv s LEU 22 CO 0.54 -2.28 0.32 -0.69 -0.29 0.00 0.00 176.35 173.95 1trv s VAL 23 N -2.34 -0.47 0.56 1.68 1.01 -0.17 -3.12 120.40 117.54 1trv s VAL 23 Ca 0.69 -0.37 -0.02 0.00 0.00 0.00 0.00 61.98 62.29 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 0.49 -0.37 0.81 -0.69 0.00 0.00 0.00 175.10 175.34 1trv s VAL 24 N 2.42 3.18 0.01 2.92 1.01 -0.41 -0.28 120.40 129.25 1trv s VAL 24 Ca 0.10 -0.42 -0.03 0.00 0.00 0.00 0.00 61.98 61.63 1trv s VAL 24 Cb -0.14 -3.23 -0.01 0.00 0.00 0.00 0.00 36.38 33.00 1trv s VAL 24 CO -0.29 -0.19 0.03 -0.69 0.00 0.00 0.00 175.10 173.96 1trv s VAL 25 N -2.83 0.09 -0.25 2.92 1.01 -0.67 -2.58 120.40 118.10 1trv s VAL 25 Ca 0.55 -0.77 0.02 0.00 0.00 0.00 0.00 61.98 61.78 1trv s VAL 25 Cb -0.10 -0.31 0.06 0.00 0.00 0.00 0.00 36.38 36.03 1trv s VAL 25 CO 0.41 -0.42 -0.10 -0.62 0.00 0.00 0.00 175.10 174.36 1trv s ASP 26 N -1.33 4.20 -0.53 3.32 2.15 -1.01 -2.90 116.67 120.57 1trv s ASP 26 Ca -0.14 -1.29 -0.15 0.00 0.43 0.00 0.00 52.55 51.40 1trv s ASP 26 Cb -0.09 -1.46 0.13 0.00 -0.30 0.00 0.00 42.92 41.20 1trv s ASP 26 CO -0.00 -0.19 0.48 -0.36 -0.17 0.00 0.00 175.17 174.93 1trv s PHE 27 N 1.18 3.27 0.14 -5.34 0.40 0.03 -1.08 117.98 116.58 1trv s PHE 27 Ca -0.07 -1.33 0.01 0.00 -0.60 0.00 0.00 56.93 54.94 1trv s PHE 27 Cb -0.19 -3.73 0.01 0.00 0.51 0.00 0.00 43.02 39.62 1trv s PHE 27 CO -0.06 -1.00 0.10 0.43 0.70 0.00 0.00 175.22 175.39 1trv n SER 28 N 5.21 1.42 -3.67 1.36 7.64 -1.15 -1.58 113.62 122.85 1trv n SER 28 Ca -0.13 -1.48 -0.28 0.00 1.01 0.00 0.00 58.87 57.99 1trv n SER 28 Cb 0.40 -0.01 -0.16 0.00 -1.01 0.00 0.00 64.21 63.43 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 -2.20 0.87 0.06 -0.43 0.00 -1.26 -3.11 121.76 115.69 1trv s ALA 29 Ca 0.08 -0.80 -0.25 0.00 0.00 0.00 0.00 51.96 50.99 1trv s ALA 29 Cb -0.01 -1.24 -0.17 0.00 0.00 0.00 0.00 23.12 21.71 1trv s ALA 29 CO 0.05 -1.32 1.58 0.00 0.00 0.00 0.00 175.76 176.07 1trv h THR 30 N 6.47 1.00 -0.36 0.00 1.03 -1.96 -1.61 112.91 117.48 1trv h THR 30 Ca -0.16 -0.31 0.10 0.00 -0.01 0.00 0.00 66.41 66.03 1trv h THR 30 Cb 1.10 1.20 -0.01 0.00 -1.07 0.00 0.00 68.15 69.36 1trv h THR 30 CO 0.36 0.08 0.57 4.11 -0.01 0.00 0.00 175.52 180.63 1trv h TRP 31 N -0.26 0.00 -3.55 0.00 5.08 -2.02 -3.40 115.95 111.80 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 0.22 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.38 1trv h TRP 31 CO -0.03 0.00 0.04 0.00 -1.28 0.00 0.00 178.44 177.18 1trv n GLY 33 N -1.22 -0.61 0.25 0.00 0.00 -1.26 -4.16 105.19 98.18 1trv n GLY 33 Ca 0.01 -0.08 0.02 0.00 0.00 0.00 0.00 46.02 45.97 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 -0.36 0.36 0.00 1.61 0.11 -1.96 0.41 132.00 132.16 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 0.26 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 31.29 1trv h PRO 34 CO 0.00 0.24 0.00 0.00 -0.21 0.00 0.00 178.00 178.03 1trv n LYS 36 N -2.35 0.63 0.00 0.00 4.81 0.14 -3.79 118.16 117.59 1trv n LYS 36 Ca -0.02 0.24 0.08 0.00 -0.87 0.00 0.00 58.31 57.75 1trv n LYS 36 Cb 0.04 -1.79 0.40 0.00 0.02 0.00 0.00 35.03 33.70 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 -2.94 0.14 -0.25 1.64 1.56 -0.14 -2.20 117.12 114.94 1trv n MET 37 Ca -0.13 0.16 0.11 0.00 -0.27 0.00 0.00 57.70 57.57 1trv n MET 37 Cb 0.93 -1.50 0.26 0.00 2.15 0.00 0.00 33.22 35.07 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 -1.38 0.65 0.08 1.12 5.41 -1.21 -4.33 119.36 119.70 1trv n ILE 38 Ca 0.06 -0.78 -0.05 0.00 1.00 0.00 0.00 62.75 62.98 1trv n ILE 38 Cb 0.16 0.71 -0.08 0.00 -0.71 0.00 0.00 39.64 39.72 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 4.10 0.00 0.00 0.38 2.10 -1.64 -3.18 116.57 118.33 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 0.92 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.25 1trv h LYS 39 CO 0.00 0.87 0.00 -0.35 -2.00 0.00 0.00 179.45 177.97 1trv n PRO 40 N -3.31 0.10 -0.07 0.07 -0.05 -1.26 -1.72 135.00 128.76 1trv n PRO 40 Ca 0.00 0.34 -0.05 0.00 -0.05 0.00 0.00 63.50 63.75 1trv n PRO 40 Cb 0.89 -1.70 -0.02 0.00 -0.05 0.00 0.00 33.50 32.62 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 -0.22 0.54 0.04 -1.84 -3.20 116.94 112.27 1trv h PHE 41 Ca 0.00 0.00 0.03 0.00 2.80 0.00 0.00 57.97 60.80 1trv h PHE 41 Cb 0.31 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.43 1trv h PHE 41 CO 0.00 0.13 0.02 0.35 -0.60 0.00 0.00 178.31 178.21 1trv h PHE 42 N -1.00 0.04 0.00 -0.55 3.57 -1.57 0.84 116.94 118.27 1trv h PHE 42 Ca -0.02 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.49 1trv h PHE 42 Cb 0.44 0.02 0.00 0.00 2.79 0.00 0.00 35.95 39.20 1trv h PHE 42 CO -0.13 -0.00 0.00 1.25 -2.23 0.00 0.00 178.31 177.20 1trv h HIS 43 N 0.10 0.00 -0.36 0.41 2.76 -1.53 -1.27 115.15 115.26 1trv h HIS 43 Ca 0.10 0.00 -0.17 0.00 -2.20 0.00 0.00 60.37 58.10 1trv h HIS 43 Cb 0.11 0.00 -0.00 0.00 1.55 0.00 0.00 27.41 29.06 1trv h HIS 43 CO -0.16 0.00 -0.43 0.66 -1.30 0.00 0.00 177.93 176.70 1trv h SER 44 N 0.00 0.99 -0.17 3.26 4.64 -0.81 -2.66 113.55 118.79 1trv h SER 44 Ca 0.00 -0.47 0.05 0.00 -0.47 0.00 0.00 61.79 60.90 1trv h SER 44 Cb 0.05 -0.28 -0.01 0.00 -0.31 0.00 0.00 62.40 61.85 1trv h SER 44 CO 0.00 1.27 0.19 -0.07 -0.87 0.00 0.00 176.83 177.35 1trv h LEU 45 N 0.74 0.00 -0.32 5.97 3.38 -1.16 -2.36 115.31 121.55 1trv h LEU 45 Ca 0.05 0.00 0.07 0.00 0.09 0.00 0.00 57.88 58.09 1trv h LEU 45 Cb 1.02 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 41.70 1trv h LEU 45 CO 0.10 0.00 -0.21 0.28 0.09 0.00 0.00 178.44 178.70 1trv h SER 46 N 0.00 -0.70 1.02 -0.43 0.02 -1.56 0.46 113.55 112.36 1trv h SER 46 Ca 0.08 0.14 -0.01 0.00 -0.84 0.00 0.00 61.79 61.16 1trv h SER 46 Cb 0.45 0.35 -0.00 0.00 0.14 0.00 0.00 62.40 63.34 1trv h SER 46 CO -0.00 -0.24 -0.99 -0.33 -1.14 0.00 0.00 176.83 174.13 1trv h GLU 47 N -0.18 0.00 0.00 3.45 5.08 -1.62 -3.27 114.58 118.04 1trv h GLU 47 Ca 0.16 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.42 1trv h GLU 47 Cb 0.43 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.66 1trv h GLU 47 CO -0.42 0.02 -0.69 -0.22 -1.00 0.00 0.00 179.01 176.70 1trv h LYS 48 N 0.00 0.00 -2.20 2.33 3.64 -1.01 -3.38 116.57 115.95 1trv h LYS 48 Ca -0.01 0.00 -0.59 0.00 -1.27 0.00 0.00 60.65 58.78 1trv h LYS 48 Cb 1.04 0.00 -0.41 0.00 -0.41 0.00 0.00 32.23 32.46 1trv h LYS 48 CO 0.00 0.37 -0.81 0.66 -2.27 0.00 0.00 179.45 177.40 1trv n TYR 49 N -3.10 1.83 0.82 1.91 4.01 0.16 -4.90 117.16 117.90 1trv n TYR 49 Ca -0.01 -3.89 0.06 0.00 -0.16 0.00 0.00 57.90 53.90 1trv n TYR 49 Cb 0.72 -0.44 0.35 0.00 -0.31 0.00 0.00 39.34 39.67 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 1.27 0.00 -1.32 7.72 3.41 -1.25 -1.66 113.62 121.78 1trv n SER 50 Ca 0.26 -0.45 0.11 0.00 -0.26 0.00 0.00 58.87 58.53 1trv n SER 50 Cb 0.45 0.00 0.31 0.00 -0.26 0.00 0.00 64.21 64.72 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 -0.95 3.84 -4.14 4.04 5.15 -1.26 -4.91 115.26 117.03 1trv n ASN 51 Ca 0.09 -2.02 -0.17 0.00 -0.60 0.00 0.00 54.58 51.87 1trv n ASN 51 Cb 0.04 -0.48 -0.12 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 -1.09 0.97 -0.29 3.44 1.01 -0.67 -4.73 120.40 119.04 1trv s VAL 52 Ca 0.48 -1.17 -0.12 0.00 0.00 0.00 0.00 61.98 61.17 1trv s VAL 52 Cb 0.25 -0.94 -0.04 0.00 0.00 0.00 0.00 36.38 35.65 1trv s VAL 52 CO 0.32 -0.20 0.24 -0.63 0.00 0.00 0.00 175.10 174.82 1trv s ILE 53 N -1.18 5.27 -0.12 2.22 -1.09 -1.18 -4.65 121.20 120.47 1trv s ILE 53 Ca -0.03 0.15 -0.02 0.00 -2.23 0.00 0.00 60.65 58.52 1trv s ILE 53 Cb -0.09 -3.61 -0.03 0.00 -1.58 0.00 0.00 42.46 37.15 1trv s ILE 53 CO 0.02 0.16 -0.04 -0.36 -1.23 0.00 0.00 174.94 173.48 1trv s PHE 54 N 1.82 3.01 0.42 3.97 0.08 -1.25 -1.28 117.98 124.74 1trv s PHE 54 Ca 0.08 -0.15 0.07 0.00 0.12 0.00 0.00 56.93 57.06 1trv s PHE 54 Cb -0.16 -1.86 -0.05 0.00 -0.57 0.00 0.00 43.02 40.37 1trv s PHE 54 CO 0.11 0.13 0.18 -0.51 -0.10 0.00 0.00 175.22 175.03 1trv s LEU 55 N -0.14 3.09 -0.23 -0.37 1.02 -1.07 -3.27 118.68 117.72 1trv s LEU 55 Ca 0.03 -1.10 -0.04 0.00 0.02 0.00 0.00 54.13 53.04 1trv s LEU 55 Cb -0.13 -1.40 0.09 0.00 0.02 0.00 0.00 46.19 44.77 1trv s LEU 55 CO 0.03 -0.55 0.17 -0.70 0.02 0.00 0.00 176.35 175.31 1trv s GLU 56 N -3.90 0.17 0.15 1.70 2.12 -0.33 -2.41 118.70 116.20 1trv s GLU 56 Ca 0.40 -0.14 0.05 0.00 0.36 0.00 0.00 54.97 55.64 1trv s GLU 56 Cb 0.04 -1.30 -0.04 0.00 0.26 0.00 0.00 34.13 33.09 1trv s GLU 56 CO 0.22 -0.82 0.14 0.08 -0.54 0.00 0.00 175.26 174.34 1trv s VAL 57 N 2.21 4.53 -0.17 3.70 1.01 -0.24 -1.44 120.40 129.99 1trv s VAL 57 Ca 0.06 -1.03 0.01 0.00 0.00 0.00 0.00 61.98 61.03 1trv s VAL 57 Cb -0.16 -3.30 0.02 0.00 0.00 0.00 0.00 36.38 32.94 1trv s VAL 57 CO -0.21 -0.08 -0.19 -0.62 0.00 0.00 0.00 175.10 174.00 1trv s ASP 58 N -3.03 3.22 0.00 3.32 2.15 -1.26 -2.95 116.67 118.13 1trv s ASP 58 Ca 0.31 -0.62 0.08 0.00 0.43 0.00 0.00 52.55 52.75 1trv s ASP 58 Cb -0.10 -1.49 0.44 0.00 -0.30 0.00 0.00 42.92 41.46 1trv s ASP 58 CO 0.23 0.02 1.03 1.33 -0.17 0.00 0.00 175.17 177.62 1trv n VAL 59 N 4.49 0.45 -0.09 1.11 0.24 -1.18 0.17 118.33 123.53 1trv n VAL 59 Ca -0.21 0.11 -0.16 0.00 -2.04 0.00 0.00 64.34 62.05 1trv n VAL 59 Cb 0.50 -0.98 -0.07 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 -1.15 1.84 0.03 -1.34 9.92 -1.26 -3.79 116.55 120.80 1trv n ASP 60 Ca 0.05 0.09 -0.05 0.00 -0.53 0.00 0.00 54.79 54.35 1trv n ASP 60 Cb 0.05 -0.41 -0.11 0.00 -0.64 0.00 0.00 41.12 40.01 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 -0.38 0.00 -0.50 -2.24 1.82 -1.90 -3.35 116.42 109.86 1trv h ASP 61 Ca -0.42 0.00 -0.36 0.00 -0.39 0.00 0.00 57.03 55.86 1trv h ASP 61 Cb 1.47 0.00 -0.27 0.00 0.68 0.00 0.00 39.33 41.20 1trv h ASP 61 CO -0.19 0.85 -0.62 0.00 -1.61 0.00 0.00 179.24 177.68 1trv n ALA 62 N -2.43 4.61 0.15 -0.78 0.00 0.13 -4.77 120.51 117.42 1trv n ALA 62 Ca -0.09 -3.60 0.07 0.00 0.00 0.00 0.00 53.44 49.83 1trv n ALA 62 Cb 0.94 -0.40 0.40 0.00 0.00 0.00 0.00 19.45 20.39 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 -0.87 0.10 -0.09 0.00 -0.00 -1.18 -0.61 117.38 114.73 1trv n GLN 63 Ca 0.36 0.57 -0.13 0.00 -0.00 0.00 0.00 57.00 57.80 1trv n GLN 63 Cb 0.88 -2.01 -0.01 0.00 -0.00 0.00 0.00 30.24 29.09 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 0.95 0.56 2.61 2.03 -1.89 -1.86 116.42 118.81 1trv h ASP 64 Ca 0.00 -0.46 -0.28 0.00 -0.73 0.00 0.00 57.03 55.56 1trv h ASP 64 Cb 0.39 -0.27 0.01 0.00 -0.83 0.00 0.00 39.33 38.63 1trv h ASP 64 CO 0.00 1.25 -1.24 0.58 -1.03 0.00 0.00 179.24 178.80 1trv h VAL 65 N 0.70 1.46 -0.76 4.15 2.07 -1.18 -3.25 116.25 119.44 1trv h VAL 65 Ca 0.04 -2.96 -0.04 0.00 0.82 0.00 0.00 66.70 64.56 1trv h VAL 65 Cb 1.04 2.91 -0.03 0.00 -1.52 0.00 0.00 31.29 33.69 1trv h VAL 65 CO 0.10 0.87 0.33 0.00 0.02 0.00 0.00 177.57 178.90 1trv h ALA 66 N 0.54 1.15 0.00 1.67 0.00 -1.45 -1.17 119.26 120.00 1trv h ALA 66 Ca -0.14 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.58 1trv h ALA 66 Cb 1.96 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 19.45 1trv h ALA 66 CO 0.21 0.63 -0.05 0.77 0.00 0.00 0.00 179.25 180.80 1trv h SER 67 N 1.10 0.00 0.42 0.00 0.02 -1.38 -0.16 113.55 113.54 1trv h SER 67 Ca 0.26 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 61.19 1trv h SER 67 Cb 0.16 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.71 1trv h SER 67 CO -0.03 0.05 -0.20 -0.08 -1.14 0.00 0.00 176.83 175.44 1trv h GLU 68 N 0.00 -0.54 -0.00 3.45 4.81 -1.24 -2.80 114.58 118.25 1trv h GLU 68 Ca -0.00 0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.27 1trv h GLU 68 Cb 0.29 0.12 0.00 0.00 0.63 0.00 0.00 28.75 29.80 1trv h GLU 68 CO 0.01 -0.24 -0.00 0.00 -0.73 0.00 0.00 179.01 178.05 1trv n ALA 69 N -2.51 2.66 -3.36 2.92 0.00 -1.11 -4.93 120.51 114.19 1trv n ALA 69 Ca -0.10 -0.25 -0.16 0.00 0.00 0.00 0.00 53.44 52.92 1trv n ALA 69 Cb 0.29 -1.44 0.04 0.00 0.00 0.00 0.00 19.45 18.34 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 -0.75 -1.64 -2.80 0.00 1.02 -0.11 -4.89 120.64 111.48 1trv n GLU 70 Ca 0.22 0.93 -0.43 0.00 -0.02 0.00 0.00 57.16 57.87 1trv n GLU 70 Cb 0.17 -5.06 -0.04 0.00 -0.02 0.00 0.00 31.44 26.49 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 -3.26 4.35 -0.35 2.62 1.01 -0.95 -4.84 120.40 118.98 1trv s VAL 71 Ca 0.29 0.46 0.16 0.00 0.00 0.00 0.00 61.98 62.89 1trv s VAL 71 Cb -0.07 -4.55 0.53 0.00 0.00 0.00 0.00 36.38 32.29 1trv s VAL 71 CO 0.79 -1.09 1.43 0.29 0.00 0.00 0.00 175.10 176.52 1trv n LYS 72 N 7.54 3.11 -3.21 2.72 4.76 -1.26 -4.86 118.16 126.96 1trv n LYS 72 Ca 0.04 -2.74 -0.00 0.00 -2.87 0.00 0.00 58.31 52.73 1trv n LYS 72 Cb 0.48 -1.79 -0.03 0.00 -1.84 0.00 0.00 35.03 31.85 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 -2.49 -1.92 0.13 7.82 0.00 -1.26 -5.16 121.76 118.89 1trv s ALA 73 Ca 0.40 1.18 0.03 0.00 0.00 0.00 0.00 51.96 53.58 1trv s ALA 73 Cb 0.31 -2.18 -0.04 0.00 0.00 0.00 0.00 23.12 21.22 1trv s ALA 73 CO 0.11 -1.54 0.19 0.95 0.00 0.00 0.00 175.76 175.48 1trv s THR 74 N 2.74 4.92 0.75 0.00 -4.23 -1.26 -4.19 115.64 114.37 1trv s THR 74 Ca 0.14 -0.80 -0.11 0.00 -1.18 0.00 0.00 61.69 59.74 1trv s THR 74 Cb -0.13 -3.49 0.04 0.00 1.34 0.00 0.00 72.50 70.26 1trv s THR 74 CO -0.23 -0.04 1.09 -2.16 -0.54 0.00 0.00 174.62 172.74 1trv s PRO 75 N -2.98 2.51 -0.03 3.99 0.04 -1.26 -4.92 135.00 132.35 1trv s PRO 75 Ca 0.33 0.66 -0.12 0.00 0.04 0.00 0.00 61.00 61.90 1trv s PRO 75 Cb -0.11 -1.97 0.02 0.00 0.04 0.00 0.00 34.50 32.48 1trv s PRO 75 CO 0.26 -1.33 0.27 0.99 0.04 0.00 0.00 177.00 177.23 1trv s THR 76 N -3.19 0.05 0.03 1.26 2.01 -0.61 -3.27 115.64 111.93 1trv s THR 76 Ca 0.59 -0.42 0.07 0.00 0.31 0.00 0.00 61.69 62.24 1trv s THR 76 Cb -0.13 -0.53 -0.02 0.00 0.01 0.00 0.00 72.50 71.82 1trv s THR 76 CO 0.54 -0.23 -0.20 -0.36 -0.69 0.00 0.00 174.62 173.67 1trv s PHE 77 N -1.02 1.77 0.04 4.92 0.40 -0.93 -0.79 117.98 122.36 1trv s PHE 77 Ca -0.11 -0.37 0.06 0.00 -0.60 0.00 0.00 56.93 55.91 1trv s PHE 77 Cb -0.05 -1.07 -0.02 0.00 0.51 0.00 0.00 43.02 42.39 1trv s PHE 77 CO 0.03 0.07 -0.17 -0.65 0.70 0.00 0.00 175.22 175.20 1trv s GLN 78 N -1.06 1.14 -0.36 0.44 -0.21 -1.14 -2.07 119.66 116.40 1trv s GLN 78 Ca 0.07 -0.82 -0.07 0.00 0.02 0.00 0.00 55.36 54.57 1trv s GLN 78 Cb -0.09 -1.20 0.05 0.00 1.00 0.00 0.00 33.01 32.78 1trv s GLN 78 CO 0.01 0.30 0.14 -0.06 -2.12 0.00 0.00 175.29 173.56 1trv s PHE 79 N -0.79 3.29 0.14 0.91 0.40 0.12 -1.66 117.98 120.39 1trv s PHE 79 Ca 0.04 -1.52 0.06 0.00 -0.60 0.00 0.00 56.93 54.91 1trv s PHE 79 Cb -0.08 -2.47 -0.04 0.00 0.51 0.00 0.00 43.02 40.94 1trv s PHE 79 CO 0.01 -0.77 0.05 -0.06 0.70 0.00 0.00 175.22 175.15 1trv s PHE 80 N 1.38 3.00 -0.18 0.36 0.08 0.61 -1.88 117.98 121.36 1trv s PHE 80 Ca -0.00 -0.05 -0.11 0.00 0.12 0.00 0.00 56.93 56.89 1trv s PHE 80 Cb -0.20 -1.48 0.06 0.00 -0.57 0.00 0.00 43.02 40.82 1trv s PHE 80 CO 0.02 0.51 0.43 0.21 -0.10 0.00 0.00 175.22 176.29 1trv s LYS 81 N -2.77 0.43 -1.36 0.44 2.20 -0.62 -1.00 119.74 117.06 1trv s LYS 81 Ca 0.28 0.79 0.00 0.00 -0.36 0.00 0.00 55.97 56.68 1trv s LYS 81 Cb -0.10 0.03 0.00 0.00 -1.51 0.00 0.00 37.83 36.25 1trv s LYS 81 CO 0.20 -0.14 0.00 1.63 -0.36 0.00 0.00 175.35 176.68 1trv n LYS 82 N 4.03 -1.28 -1.61 4.03 5.02 -1.26 0.78 118.16 127.87 1trv n LYS 82 Ca -0.21 0.76 0.00 0.00 -2.02 0.00 0.00 58.31 56.83 1trv n LYS 82 Cb 0.56 -4.99 0.00 0.00 -0.02 0.00 0.00 35.03 30.57 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 -0.24 0.50 2.86 0.72 0.00 -1.26 -5.05 105.19 102.73 1trv n GLY 83 Ca -0.13 -0.85 -0.22 0.00 0.00 0.00 0.00 46.02 44.82 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 -3.29 0.90 0.08 1.61 -0.21 0.23 -5.11 119.66 113.88 1trv s GLN 84 Ca 0.00 -0.08 -0.31 0.00 0.02 0.00 0.00 55.36 55.00 1trv s GLN 84 Cb 0.00 -1.01 -0.08 0.00 1.00 0.00 0.00 33.01 32.92 1trv s GLN 84 CO 0.00 -0.17 1.59 0.21 -2.12 0.00 0.00 175.29 174.80 1trv s LYS 85 N 1.33 4.22 0.00 2.91 2.20 -1.26 -1.59 119.74 127.55 1trv s LYS 85 Ca -0.04 2.28 0.00 0.00 -0.36 0.00 0.00 55.97 57.85 1trv s LYS 85 Cb -0.14 -3.48 0.00 0.00 -1.51 0.00 0.00 37.83 32.70 1trv s LYS 85 CO -0.02 -0.67 0.00 1.33 -0.36 0.00 0.00 175.35 175.62 1trv n VAL 86 N 4.51 0.00 -3.59 4.02 0.24 -0.79 -4.95 118.33 117.77 1trv n VAL 86 Ca 0.15 -0.33 -0.05 0.00 -2.04 0.00 0.00 64.34 62.07 1trv n VAL 86 Cb 0.41 0.84 -0.02 0.00 -1.47 0.00 0.00 33.84 33.59 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 -1.27 -0.29 -0.09 7.63 0.00 -1.18 -5.02 107.32 107.11 1trv s GLY 87 Ca 0.00 1.63 -0.32 0.00 0.00 0.00 0.00 44.72 46.03 1trv s GLY 87 CO 0.00 0.55 1.16 -1.83 0.00 0.00 0.00 173.10 172.98 1trv s GLU 88 N -2.37 0.48 -0.08 2.90 -1.05 -1.26 0.11 118.70 117.41 1trv s GLU 88 Ca 0.09 -0.21 -0.31 0.00 -0.15 0.00 0.00 54.97 54.39 1trv s GLU 88 Cb -0.01 0.20 0.12 0.00 -0.44 0.00 0.00 34.13 33.99 1trv s GLU 88 CO -0.05 -0.21 1.01 -0.59 0.95 0.00 0.00 175.26 176.37 1trv s PHE 89 N -2.59 -0.27 0.00 4.83 -0.12 -0.88 -4.99 117.98 113.96 1trv s PHE 89 Ca 0.10 0.20 0.07 0.00 -0.05 0.00 0.00 56.93 57.25 1trv s PHE 89 Cb 0.00 0.52 -0.02 0.00 -0.63 0.00 0.00 43.02 42.90 1trv s PHE 89 CO -0.05 -0.41 -0.21 -1.54 -0.05 0.00 0.00 175.22 172.97 1trv s SER 90 N -2.24 2.46 0.00 1.98 1.04 -1.26 -2.19 113.70 113.49 1trv s SER 90 Ca 0.06 -0.43 0.00 0.00 0.48 0.00 0.00 55.95 56.06 1trv s SER 90 Cb -0.01 -0.25 0.00 0.00 0.10 0.00 0.00 66.02 65.86 1trv s SER 90 CO -0.07 0.23 0.00 0.61 0.98 0.00 0.00 173.24 174.99 1trv n GLY 91 N 2.32 4.15 1.54 7.32 0.00 -1.20 -4.96 105.19 114.35 1trv n GLY 91 Ca -0.16 -0.37 -0.01 0.00 0.00 0.00 0.00 46.02 45.49 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 -1.16 4.17 -3.37 4.61 0.00 -1.26 -4.69 120.51 118.82 1trv n ALA 92 Ca 0.00 -0.13 -0.45 0.00 0.00 0.00 0.00 53.44 52.86 1trv n ALA 92 Cb 0.00 -1.09 -0.01 0.00 0.00 0.00 0.00 19.45 18.34 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 2.00 6.99 0.50 0.00 3.84 -1.26 -4.86 114.94 122.15 1trv s ASN 93 Ca 0.05 -3.28 0.16 0.00 0.21 0.00 0.00 52.86 49.99 1trv s ASN 93 Cb 0.02 -2.18 1.21 0.00 -0.55 0.00 0.00 41.25 39.75 1trv s ASN 93 CO -0.00 -0.38 2.11 0.07 -2.79 0.00 0.00 177.10 176.11 1trv h LYS 94 N 7.01 0.11 -0.08 0.43 2.10 -1.99 -0.84 116.57 123.30 1trv h LYS 94 Ca 0.15 -0.01 -0.09 0.00 -2.00 0.00 0.00 60.65 58.70 1trv h LYS 94 Cb 0.93 -0.02 -0.01 0.00 -0.90 0.00 0.00 32.23 32.22 1trv h LYS 94 CO 0.91 0.07 -0.36 0.93 -2.00 0.00 0.00 179.45 179.00 1trv h GLU 95 N 0.11 0.17 -0.32 0.07 5.08 -1.99 -2.67 114.58 115.03 1trv h GLU 95 Ca 0.07 -0.07 -0.03 0.00 -1.00 0.00 0.00 59.36 58.33 1trv h GLU 95 Cb 0.15 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.37 1trv h GLU 95 CO -0.01 0.51 0.07 -0.22 -1.00 0.00 0.00 179.01 178.36 1trv h LYS 96 N 0.15 0.47 -0.95 2.33 3.64 -1.56 -2.13 116.57 118.51 1trv h LYS 96 Ca 0.02 -0.07 0.22 0.00 -1.27 0.00 0.00 60.65 59.54 1trv h LYS 96 Cb 0.71 -0.08 -0.08 0.00 -0.41 0.00 0.00 32.23 32.37 1trv h LYS 96 CO 0.05 0.44 0.62 -0.07 -2.27 0.00 0.00 179.45 178.23 1trv h LEU 97 N 0.46 0.45 0.53 5.20 3.38 -1.48 0.26 115.31 124.11 1trv h LEU 97 Ca 0.11 0.06 -0.03 0.00 0.09 0.00 0.00 57.88 58.11 1trv h LEU 97 Cb 0.19 -0.03 0.01 0.00 0.09 0.00 0.00 40.66 40.92 1trv h LEU 97 CO -0.00 0.16 -0.25 -0.08 0.09 0.00 0.00 178.44 178.35 1trv h GLU 98 N 0.44 -0.68 -0.18 1.13 4.22 -1.52 0.18 114.58 118.16 1trv h GLU 98 Ca 0.51 0.05 0.05 0.00 0.08 0.00 0.00 59.36 60.05 1trv h GLU 98 Cb 1.23 0.16 -0.01 0.00 0.50 0.00 0.00 28.75 30.63 1trv h GLU 98 CO -0.22 -0.46 0.15 0.00 -2.18 0.00 0.00 179.01 176.30 1trv h ALA 99 N -1.63 2.00 -0.14 2.92 0.00 -1.51 -1.72 119.26 119.19 1trv h ALA 99 Ca -0.07 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.73 1trv h ALA 99 Cb 0.54 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.35 1trv h ALA 99 CO 0.12 -0.24 -0.31 1.15 0.00 0.00 0.00 179.25 179.97 1trv h THR 100 N 0.00 1.37 -0.64 0.00 2.02 -0.18 -2.99 112.91 112.50 1trv h THR 100 Ca 0.08 -1.59 0.03 0.00 0.77 0.00 0.00 66.41 65.71 1trv h THR 100 Cb 0.38 2.05 -0.04 0.00 -1.74 0.00 0.00 68.15 68.80 1trv h THR 100 CO -0.00 0.47 0.42 0.40 0.37 0.00 0.00 175.52 177.18 1trv h ILE 101 N 0.05 1.09 0.00 3.11 2.04 0.26 0.43 117.51 124.49 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 0.91 0.27 0.00 0.00 -0.74 0.00 0.00 36.82 37.26 1trv h ILE 101 CO 0.07 0.14 0.00 -3.20 0.00 0.00 0.00 178.15 175.16 1trv n ASN 102 N -4.46 0.00 -0.04 1.72 5.15 -1.00 -2.06 115.26 114.57 1trv n ASN 102 Ca 0.08 -0.76 -0.08 0.00 -0.60 0.00 0.00 54.58 53.22 1trv n ASN 102 Cb 0.13 -0.02 -0.07 0.00 -0.53 0.00 0.00 39.78 39.29 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 -0.45 1.20 4.81 0.01 -3.35 114.58 116.76 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 29.40 1trv h GLU 103 CO 0.00 0.45 0.00 1.28 -0.73 0.00 0.00 179.01 180.01 1trv n LEU 104 N -4.74 4.79 0.00 1.64 4.77 -1.22 -5.13 117.00 117.11 1trv n LEU 104 Ca -0.06 -2.87 0.02 0.00 -0.03 0.00 0.00 56.01 53.07 1trv n LEU 104 Cb 0.25 -0.60 0.10 0.00 -2.33 0.00 0.00 43.42 40.83 1trv n LEU 104 CO 0.19 0.67 0.34 0.55 -1.33 0.00 0.00 177.39 177.81