#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1trv s VAL 2 N 0.00 0.08 -0.17 2.03 1.01 -1.26 -4.12 120.40 117.98 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 33.95 1trv s VAL 2 CO 0.00 0.00 0.36 -0.75 0.00 0.00 0.00 175.10 174.71 1trv s LYS 3 N -3.79 0.27 -0.07 2.72 2.20 -1.19 -5.02 119.74 114.87 1trv s LYS 3 Ca 0.39 0.88 -0.30 0.00 -0.36 0.00 0.00 55.97 56.58 1trv s LYS 3 Cb 0.05 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 2.27 4.47 -0.21 4.03 0.74 -1.26 -1.42 119.66 128.28 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 -3.51 -0.03 0.00 1.10 0.00 0.00 33.01 30.45 1trv s GLN 4 CO -0.11 -0.22 0.50 0.42 -0.55 0.00 0.00 175.29 175.33 1trv s ILE 5 N 1.65 5.11 -0.10 -2.34 -1.09 -0.56 -4.94 121.20 118.93 1trv s ILE 5 Ca 0.49 0.90 0.16 0.00 -2.23 0.00 0.00 60.65 59.97 1trv s ILE 5 Cb -0.19 -3.82 -0.20 0.00 -1.58 0.00 0.00 42.46 36.67 1trv s ILE 5 CO 0.21 0.17 0.61 -0.62 -1.23 0.00 0.00 174.94 174.08 1trv n GLU 6 N 4.90 0.64 0.00 2.79 1.02 -1.26 -4.39 120.64 124.35 1trv n GLU 6 Ca -0.05 0.19 0.00 0.00 -0.02 0.00 0.00 57.16 57.28 1trv n GLU 6 Cb 0.50 -1.74 0.00 0.00 -0.02 0.00 0.00 31.44 30.19 1trv n GLU 6 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 1trv n SER 7 N -2.89 0.00 0.08 1.62 3.41 -1.26 -4.00 113.62 110.58 1trv n SER 7 Ca -0.16 0.00 -0.03 0.00 -0.26 0.00 0.00 58.87 58.41 1trv n SER 7 Cb 0.97 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 64.85 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 -0.32 4.33 3.64 -1.93 -3.13 116.57 119.16 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 0.75 0.16 1.15 -2.27 0.00 0.00 179.45 179.24 1trv h THR 9 N 0.00 1.00 -0.01 1.00 2.02 -2.00 -1.46 112.91 113.45 1trv h THR 9 Ca -0.03 -0.12 -0.10 0.00 0.77 0.00 0.00 66.41 66.93 1trv h THR 9 Cb 1.64 0.63 -0.01 0.00 -1.74 0.00 0.00 68.15 68.66 1trv h THR 9 CO 0.10 0.06 -0.48 0.00 0.37 0.00 0.00 175.52 175.57 1trv h ALA 10 N 1.16 1.19 0.52 6.16 0.00 -1.97 -2.31 119.26 124.00 1trv h ALA 10 Ca 0.13 -0.44 -0.03 0.00 0.00 0.00 0.00 54.91 54.58 1trv h ALA 10 Cb 0.03 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 17.75 1trv h ALA 10 CO -0.08 0.60 -0.25 0.35 0.00 0.00 0.00 179.25 179.87 1trv h PHE 11 N 0.03 -0.65 -0.59 0.00 3.57 -1.24 0.14 116.94 118.20 1trv h PHE 11 Ca -0.00 -0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.45 1trv h PHE 11 Cb 0.85 0.22 -0.03 0.00 2.79 0.00 0.00 35.95 39.78 1trv h PHE 11 CO 0.00 -0.38 0.22 -0.56 -2.23 0.00 0.00 178.31 175.37 1trv h GLN 12 N -0.77 0.89 -0.27 1.11 3.07 -1.31 -2.02 115.11 115.80 1trv h GLN 12 Ca -0.07 -0.17 -0.01 0.00 0.09 0.00 0.00 58.65 58.49 1trv h GLN 12 Cb 0.57 -0.14 -0.01 0.00 0.08 0.00 0.00 27.48 27.97 1trv h GLN 12 CO 0.12 0.77 0.12 0.93 0.09 0.00 0.00 178.83 180.86 1trv h GLU 13 N 0.81 0.37 -0.24 0.06 5.08 -1.29 -0.92 114.58 118.46 1trv h GLU 13 Ca 0.19 -0.04 -0.05 0.00 -1.00 0.00 0.00 59.36 58.46 1trv h GLU 13 Cb 0.23 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.39 1trv h GLU 13 CO -0.01 0.30 -0.06 0.00 -1.00 0.00 0.00 179.01 178.24 1trv h ALA 14 N 1.76 0.33 0.00 3.43 0.00 -0.03 -2.13 119.26 122.62 1trv h ALA 14 Ca 0.10 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 54.72 1trv h ALA 14 Cb 0.06 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 1trv h ALA 14 CO -0.01 0.12 -0.10 -0.07 0.00 0.00 0.00 179.25 179.19 1trv h LEU 15 N 0.20 0.00 -0.01 0.00 3.38 -0.83 -1.46 115.31 116.58 1trv h LEU 15 Ca 0.06 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 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 0.10 -0.02 -0.78 0.09 0.00 0.00 178.44 177.85 1trv h ASP 16 N 0.00 0.04 1.10 -0.43 3.58 -0.63 -3.06 116.42 117.02 1trv h ASP 16 Ca -0.00 -0.55 0.00 0.00 0.42 0.00 0.00 57.03 56.90 1trv h ASP 16 Cb 0.36 -0.01 0.00 0.00 1.72 0.00 0.00 39.33 41.40 1trv h ASP 16 CO 0.01 0.58 0.00 0.00 -2.88 0.00 0.00 179.24 176.95 1trv h ALA 17 N 0.46 1.00 -0.41 -0.78 0.00 -1.13 -2.94 119.26 115.46 1trv h ALA 17 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.84 1trv h ALA 17 Cb 0.57 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 1trv h ALA 17 CO 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 179.25 179.21 1trv h ALA 18 N 2.07 1.16 0.00 0.00 0.00 -1.17 -3.48 119.26 117.84 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 0.55 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1trv h ALA 18 CO 0.00 0.54 0.00 0.41 0.00 0.00 0.00 179.25 180.20 1trv n GLY 19 N -0.65 1.57 0.00 0.00 0.00 -1.11 -3.68 105.19 101.31 1trv n GLY 19 Ca 0.02 -0.41 0.00 0.00 0.00 0.00 0.00 46.02 45.63 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 5.72 0.00 -4.43 1.61 8.00 -1.26 -4.61 116.55 121.58 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 0.56 0.73 -1.24 1.02 -1.24 -4.52 119.74 115.04 1trv s LYS 21 Ca 0.00 0.04 -0.15 0.00 0.02 0.00 0.00 55.97 55.88 1trv s LYS 21 Cb 0.00 -1.79 0.04 0.00 -0.52 0.00 0.00 37.83 35.55 1trv s LYS 21 CO 0.00 -2.54 1.19 -1.17 -0.92 0.00 0.00 175.35 171.90 1trv s LEU 22 N -6.17 3.31 -0.29 3.17 0.20 -1.26 -4.48 118.68 113.16 1trv s LEU 22 Ca 0.68 2.28 -0.00 0.00 0.69 0.00 0.00 54.13 57.78 1trv s LEU 22 Cb -0.11 -4.58 0.14 0.00 -0.43 0.00 0.00 46.19 41.21 1trv s LEU 22 CO 0.54 -2.19 0.32 -0.69 -0.29 0.00 0.00 176.35 174.04 1trv s VAL 23 N -2.09 -0.46 0.54 1.68 1.01 -0.94 -3.03 120.40 117.10 1trv s VAL 23 Ca 0.73 -0.42 -0.01 0.00 0.00 0.00 0.00 61.98 62.27 1trv s VAL 23 Cb -0.27 -0.97 0.02 0.00 0.00 0.00 0.00 36.38 35.16 1trv s VAL 23 CO 0.45 -0.41 0.79 -0.69 0.00 0.00 0.00 175.10 175.24 1trv s VAL 24 N 2.41 3.28 0.02 2.92 1.01 -0.55 -0.88 120.40 128.60 1trv s VAL 24 Ca 0.09 -0.44 -0.01 0.00 0.00 0.00 0.00 61.98 61.62 1trv s VAL 24 Cb -0.14 -3.26 -0.02 0.00 0.00 0.00 0.00 36.38 32.97 1trv s VAL 24 CO -0.31 -0.20 -0.00 -0.69 0.00 0.00 0.00 175.10 173.89 1trv s VAL 25 N -2.78 0.11 -0.25 2.92 1.01 -0.73 -2.37 120.40 118.30 1trv s VAL 25 Ca 0.54 -0.89 0.02 0.00 0.00 0.00 0.00 61.98 61.65 1trv s VAL 25 Cb -0.10 -0.30 0.06 0.00 0.00 0.00 0.00 36.38 36.04 1trv s VAL 25 CO 0.40 -0.49 -0.10 -0.62 0.00 0.00 0.00 175.10 174.30 1trv s ASP 26 N -1.47 4.25 -0.52 3.32 2.15 -1.01 -2.92 116.67 120.46 1trv s ASP 26 Ca -0.16 -1.32 -0.15 0.00 0.43 0.00 0.00 52.55 51.35 1trv s ASP 26 Cb -0.09 -1.45 0.12 0.00 -0.30 0.00 0.00 42.92 41.20 1trv s ASP 26 CO -0.01 -0.20 0.47 -0.36 -0.17 0.00 0.00 175.17 174.91 1trv s PHE 27 N 1.18 3.26 0.00 -5.34 0.40 -0.28 -1.18 117.98 116.03 1trv s PHE 27 Ca -0.08 -1.29 0.00 0.00 -0.60 0.00 0.00 56.93 54.96 1trv s PHE 27 Cb -0.20 -3.69 0.00 0.00 0.51 0.00 0.00 43.02 39.65 1trv s PHE 27 CO -0.06 -0.99 0.00 0.43 0.70 0.00 0.00 175.22 175.31 1trv n SER 28 N 5.21 1.91 -3.71 1.36 7.64 -1.15 -1.73 113.62 123.16 1trv n SER 28 Ca -0.13 -0.81 -0.23 0.00 1.01 0.00 0.00 58.87 58.71 1trv n SER 28 Cb 0.41 0.00 -0.18 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 -2.00 0.54 -0.06 -0.43 0.00 -1.16 -2.95 121.76 115.70 1trv s ALA 29 Ca 0.00 -0.10 -0.26 0.00 0.00 0.00 0.00 51.96 51.60 1trv s ALA 29 Cb 0.00 -0.79 -0.21 0.00 0.00 0.00 0.00 23.12 22.13 1trv s ALA 29 CO 0.00 -0.64 1.06 0.00 0.00 0.00 0.00 175.76 176.18 1trv h THR 30 N 6.40 1.39 -0.21 0.00 1.03 -1.96 -2.96 112.91 116.59 1trv h THR 30 Ca -0.16 -1.46 0.06 0.00 -0.01 0.00 0.00 66.41 64.84 1trv h THR 30 Cb 1.13 2.34 -0.01 0.00 -1.07 0.00 0.00 68.15 70.54 1trv h THR 30 CO 0.23 0.36 0.50 4.11 -0.01 0.00 0.00 175.52 180.72 1trv h TRP 31 N -0.70 0.00 -3.58 0.00 5.08 -1.96 -3.40 115.95 111.40 1trv h TRP 31 Ca -0.00 0.00 -0.50 0.00 1.08 0.00 0.00 58.89 59.47 1trv h TRP 31 Cb 0.63 0.00 0.01 0.00 -3.00 0.00 0.00 29.16 26.79 1trv h TRP 31 CO 0.14 0.00 0.06 0.00 -1.28 0.00 0.00 178.44 177.37 1trv n GLY 33 N -1.35 -0.62 0.24 0.00 0.00 -1.26 -4.38 105.19 97.82 1trv n GLY 33 Ca 0.01 -0.05 0.01 0.00 0.00 0.00 0.00 46.02 45.99 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 0.38 -1.67 1.61 0.11 -1.96 -0.63 132.00 129.57 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 0.16 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 31.18 1trv h PRO 34 CO 0.00 0.25 0.00 0.00 -0.21 0.00 0.00 178.00 178.04 1trv n LYS 36 N 1.18 0.00 0.00 0.00 4.81 -0.25 -2.99 118.16 120.91 1trv n LYS 36 Ca 0.00 0.00 0.09 0.00 -0.87 0.00 0.00 58.31 57.53 1trv n LYS 36 Cb 0.35 -0.49 0.49 0.00 0.02 0.00 0.00 35.03 35.40 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 -0.69 0.46 -0.28 1.64 2.81 -1.12 -2.00 117.12 117.93 1trv n MET 37 Ca 0.00 0.04 0.12 0.00 -1.81 0.00 0.00 57.70 56.05 1trv n MET 37 Cb 0.00 -1.50 0.27 0.00 -0.71 0.00 0.00 33.22 31.28 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 -1.08 0.74 0.08 2.02 5.41 -1.26 -4.32 119.36 120.95 1trv n ILE 38 Ca 0.12 -0.85 -0.03 0.00 1.00 0.00 0.00 62.75 62.98 1trv n ILE 38 Cb 0.08 0.71 -0.06 0.00 -0.71 0.00 0.00 39.64 39.66 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 4.31 0.00 0.00 0.38 2.10 -1.75 -3.19 116.57 118.43 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 0.74 0.00 -0.35 -2.00 0.00 0.00 179.45 177.84 1trv n PRO 40 N -3.26 0.18 -0.07 0.07 -0.05 -1.26 -0.86 135.00 129.76 1trv n PRO 40 Ca -0.01 0.45 -0.05 0.00 -0.05 0.00 0.00 63.50 63.84 1trv n PRO 40 Cb 0.86 -1.88 -0.03 0.00 -0.05 0.00 0.00 33.50 32.40 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 0.30 0.54 -1.00 -1.84 -2.94 116.94 112.01 1trv h PHE 41 Ca 0.00 0.00 -0.01 0.00 2.81 0.00 0.00 57.97 60.77 1trv h PHE 41 Cb 0.31 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.87 1trv h PHE 41 CO 0.00 0.25 -0.15 0.35 -1.61 0.00 0.00 178.31 177.16 1trv h PHE 42 N -1.00 -0.38 0.00 -0.55 3.57 -1.55 -2.37 116.94 114.66 1trv h PHE 42 Ca -0.04 -0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.45 1trv h PHE 42 Cb 0.43 0.13 -0.00 0.00 2.79 0.00 0.00 35.95 39.30 1trv h PHE 42 CO -0.05 -0.17 -0.02 1.25 -2.23 0.00 0.00 178.31 177.09 1trv h HIS 43 N -0.50 0.00 -0.20 0.41 2.76 -1.20 -0.91 115.15 115.51 1trv h HIS 43 Ca -0.04 0.00 -0.10 0.00 -2.20 0.00 0.00 60.37 58.03 1trv h HIS 43 Cb 0.37 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.32 1trv h HIS 43 CO -0.03 0.02 -0.31 1.03 -1.30 0.00 0.00 177.93 177.34 1trv h SER 44 N 0.00 0.42 -0.14 3.26 0.87 -1.23 -2.27 113.55 114.46 1trv h SER 44 Ca -0.00 -0.15 0.04 0.00 -1.23 0.00 0.00 61.79 60.45 1trv h SER 44 Cb 0.05 -0.12 -0.01 0.00 -0.44 0.00 0.00 62.40 61.89 1trv h SER 44 CO 0.00 0.71 0.12 -0.07 -0.53 0.00 0.00 176.83 177.06 1trv h LEU 45 N 0.36 0.00 -0.86 2.23 3.38 -0.97 -2.11 115.31 117.33 1trv h LEU 45 Ca 0.05 0.00 0.19 0.00 0.09 0.00 0.00 57.88 58.20 1trv h LEU 45 Cb 0.73 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 41.36 1trv h LEU 45 CO 0.06 0.00 0.40 0.28 0.09 0.00 0.00 178.44 179.26 1trv h SER 46 N 0.00 0.39 0.96 -0.43 0.02 -1.48 0.41 113.55 113.42 1trv h SER 46 Ca 0.07 0.13 -0.01 0.00 -0.84 0.00 0.00 61.79 61.13 1trv h SER 46 Cb 0.30 0.09 -0.00 0.00 0.14 0.00 0.00 62.40 62.93 1trv h SER 46 CO -0.00 0.09 -1.05 -0.62 -1.14 0.00 0.00 176.83 174.10 1trv n GLU 47 N -4.98 0.61 0.07 3.45 1.02 -0.81 -3.96 120.64 116.04 1trv n GLU 47 Ca 0.19 0.13 -0.02 0.00 -0.02 0.00 0.00 57.16 57.44 1trv n GLU 47 Cb 0.55 -1.82 -0.06 0.00 -0.02 0.00 0.00 31.44 30.09 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 0.00 -2.50 3.49 3.11 -0.97 -3.39 116.57 116.31 1trv h LYS 48 Ca -0.01 0.00 -0.60 0.00 -2.81 0.00 0.00 60.65 57.23 1trv h LYS 48 Cb 1.05 0.00 -0.41 0.00 -1.00 0.00 0.00 32.23 31.87 1trv h LYS 48 CO 0.00 0.57 -0.72 0.66 -2.81 0.00 0.00 179.45 177.16 1trv n TYR 49 N -3.15 2.27 0.73 1.91 4.01 0.13 -4.90 117.16 118.16 1trv n TYR 49 Ca -0.04 -4.00 0.07 0.00 -0.16 0.00 0.00 57.90 53.77 1trv n TYR 49 Cb 0.85 -0.43 0.37 0.00 -0.31 0.00 0.00 39.34 39.82 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 1.60 0.00 -1.49 7.72 3.41 -1.25 -1.74 113.62 121.87 1trv n SER 50 Ca 0.25 -0.09 0.10 0.00 -0.26 0.00 0.00 58.87 58.87 1trv n SER 50 Cb 0.42 -0.19 0.34 0.00 -0.26 0.00 0.00 64.21 64.52 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 -1.19 4.38 -4.15 4.04 5.15 -1.26 -4.91 115.26 117.33 1trv n ASN 51 Ca 0.08 -2.27 -0.19 0.00 -0.60 0.00 0.00 54.58 51.61 1trv n ASN 51 Cb 0.09 -0.54 -0.13 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 -1.53 1.05 -0.28 3.44 1.01 -0.71 -4.73 120.40 118.66 1trv s VAL 52 Ca 0.50 -1.14 -0.11 0.00 0.00 0.00 0.00 61.98 61.23 1trv s VAL 52 Cb 0.30 -0.99 -0.05 0.00 0.00 0.00 0.00 36.38 35.63 1trv s VAL 52 CO 0.28 -0.13 0.19 -0.63 0.00 0.00 0.00 175.10 174.80 1trv s ILE 53 N -1.08 5.30 -0.13 2.22 -1.09 -1.17 -4.87 121.20 120.39 1trv s ILE 53 Ca -0.01 0.17 -0.01 0.00 -2.23 0.00 0.00 60.65 58.57 1trv s ILE 53 Cb -0.09 -3.52 -0.02 0.00 -1.58 0.00 0.00 42.46 37.25 1trv s ILE 53 CO 0.02 0.26 -0.10 -0.36 -1.23 0.00 0.00 174.94 173.52 1trv s PHE 54 N 1.73 2.88 0.40 3.97 0.08 -1.26 -1.49 117.98 124.29 1trv s PHE 54 Ca 0.07 -0.46 0.08 0.00 0.12 0.00 0.00 56.93 56.73 1trv s PHE 54 Cb -0.16 -1.86 -0.03 0.00 -0.57 0.00 0.00 43.02 40.40 1trv s PHE 54 CO 0.11 -0.10 0.29 -0.51 -0.10 0.00 0.00 175.22 174.91 1trv s LEU 55 N 0.22 3.32 -0.24 -0.37 1.02 -1.00 -3.18 118.68 118.45 1trv s LEU 55 Ca -0.06 -0.81 -0.04 0.00 0.02 0.00 0.00 54.13 53.24 1trv s LEU 55 Cb -0.15 -1.87 0.09 0.00 0.02 0.00 0.00 46.19 44.28 1trv s LEU 55 CO 0.04 -0.55 0.16 -0.70 0.02 0.00 0.00 176.35 175.32 1trv s GLU 56 N -4.02 0.17 0.08 1.70 -6.30 -0.51 -2.42 118.70 107.41 1trv s GLU 56 Ca 0.44 -0.22 0.02 0.00 -2.50 0.00 0.00 54.97 52.72 1trv s GLU 56 Cb -0.01 -1.29 -0.04 0.00 0.00 0.00 0.00 34.13 32.78 1trv s GLU 56 CO 0.26 -0.86 0.12 0.08 0.02 0.00 0.00 175.26 174.88 1trv s VAL 57 N 2.19 4.80 -0.17 3.70 1.01 -0.32 -1.50 120.40 130.11 1trv s VAL 57 Ca 0.07 -0.67 0.01 0.00 0.00 0.00 0.00 61.98 61.38 1trv s VAL 57 Cb -0.16 -3.33 0.01 0.00 0.00 0.00 0.00 36.38 32.90 1trv s VAL 57 CO -0.24 0.11 -0.18 -0.62 0.00 0.00 0.00 175.10 174.18 1trv s ASP 58 N -2.48 3.36 0.00 3.32 2.15 -1.26 -2.93 116.67 118.83 1trv s ASP 58 Ca 0.31 -0.58 0.08 0.00 0.43 0.00 0.00 52.55 52.80 1trv s ASP 58 Cb -0.12 -1.52 0.44 0.00 -0.30 0.00 0.00 42.92 41.42 1trv s ASP 58 CO 0.24 0.03 1.03 1.33 -0.17 0.00 0.00 175.17 177.63 1trv n VAL 59 N 4.42 0.42 -0.11 1.11 0.24 -1.15 0.25 118.33 123.51 1trv n VAL 59 Ca -0.20 0.10 -0.21 0.00 -2.04 0.00 0.00 64.34 62.00 1trv n VAL 59 Cb 0.51 -0.98 -0.09 0.00 -1.47 0.00 0.00 33.84 31.82 1trv n VAL 59 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 1trv n ASP 60 N -1.14 1.85 0.03 -1.34 9.92 -1.26 -3.72 116.55 120.89 1trv n ASP 60 Ca 0.05 0.14 -0.04 0.00 -0.53 0.00 0.00 54.79 54.41 1trv n ASP 60 Cb 0.04 -0.54 -0.09 0.00 -0.64 0.00 0.00 41.12 39.89 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 -0.52 0.00 -0.46 -2.24 3.58 -1.87 -3.35 116.42 111.56 1trv h ASP 61 Ca -0.53 0.00 -0.32 0.00 0.42 0.00 0.00 57.03 56.60 1trv h ASP 61 Cb 1.57 0.00 -0.23 0.00 1.72 0.00 0.00 39.33 42.39 1trv h ASP 61 CO -0.25 0.78 -0.49 0.00 -2.88 0.00 0.00 179.24 176.40 1trv n ALA 62 N -2.42 4.56 0.16 -0.78 0.00 0.14 -4.66 120.51 117.51 1trv n ALA 62 Ca -0.09 -3.51 0.08 0.00 0.00 0.00 0.00 53.44 49.92 1trv n ALA 62 Cb 0.91 -0.49 0.44 0.00 0.00 0.00 0.00 19.45 20.31 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 -0.93 0.11 -0.02 0.00 -0.00 -1.22 -0.54 117.38 114.78 1trv n GLN 63 Ca 0.35 0.59 -0.11 0.00 -0.00 0.00 0.00 57.00 57.84 1trv n GLN 63 Cb 0.87 -2.03 0.03 0.00 -0.00 0.00 0.00 30.24 29.11 1trv n GLN 63 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.06 177.44 1trv h ASP 64 N 0.00 0.73 0.84 2.61 2.03 -1.90 -2.76 116.42 117.97 1trv h ASP 64 Ca 0.00 -0.38 -0.23 0.00 -0.73 0.00 0.00 57.03 55.69 1trv h ASP 64 Cb 0.36 -0.21 -0.02 0.00 -0.83 0.00 0.00 39.33 38.63 1trv h ASP 64 CO 0.00 1.12 -1.05 0.58 -1.03 0.00 0.00 179.24 178.86 1trv h VAL 65 N 0.51 1.62 -0.31 4.15 2.07 -1.14 -3.21 116.25 119.95 1trv h VAL 65 Ca 0.02 -3.20 -0.03 0.00 0.82 0.00 0.00 66.70 64.31 1trv h VAL 65 Cb 1.09 2.82 -0.02 0.00 -1.52 0.00 0.00 31.29 33.66 1trv h VAL 65 CO 0.11 0.92 0.06 0.00 0.02 0.00 0.00 177.57 178.68 1trv h ALA 66 N 0.88 1.53 -0.14 1.67 0.00 -1.43 -1.64 119.26 120.13 1trv h ALA 66 Ca -0.05 -0.14 -0.06 0.00 0.00 0.00 0.00 54.91 54.66 1trv h ALA 66 Cb 1.78 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 19.43 1trv h ALA 66 CO 0.15 0.35 -0.19 0.66 0.00 0.00 0.00 179.25 180.22 1trv h SER 67 N 0.44 0.23 0.97 0.00 4.64 -1.49 0.80 113.55 119.14 1trv h SER 67 Ca 0.10 -0.06 -0.05 0.00 -0.47 0.00 0.00 61.79 61.32 1trv h SER 67 Cb 0.20 -0.06 0.01 0.00 -0.31 0.00 0.00 62.40 62.24 1trv h SER 67 CO -0.00 0.44 -0.46 -0.08 -0.87 0.00 0.00 176.83 175.86 1trv h GLU 68 N 0.23 -1.25 -0.00 4.77 4.81 -1.38 -2.60 114.58 119.15 1trv h GLU 68 Ca 0.04 0.09 0.00 0.00 -0.13 0.00 0.00 59.36 59.36 1trv h GLU 68 Cb 0.47 0.28 0.00 0.00 0.63 0.00 0.00 28.75 30.13 1trv h GLU 68 CO 0.03 -0.83 -0.02 0.00 -0.73 0.00 0.00 179.01 177.46 1trv n ALA 69 N -2.68 2.65 -3.50 2.92 0.00 -1.18 -4.93 120.51 113.78 1trv n ALA 69 Ca -0.16 -0.23 -0.20 0.00 0.00 0.00 0.00 53.44 52.85 1trv n ALA 69 Cb 0.51 -1.44 0.03 0.00 0.00 0.00 0.00 19.45 18.55 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 -0.93 -1.39 -2.76 0.00 1.02 0.27 -4.86 120.64 111.98 1trv n GLU 70 Ca 0.19 0.84 -0.42 0.00 -0.02 0.00 0.00 57.16 57.75 1trv n GLU 70 Cb 0.20 -4.33 -0.04 0.00 -0.02 0.00 0.00 31.44 27.25 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 -3.23 4.20 -0.23 2.62 1.01 -0.73 -4.83 120.40 119.21 1trv s VAL 71 Ca 0.25 0.14 0.14 0.00 0.00 0.00 0.00 61.98 62.50 1trv s VAL 71 Cb -0.08 -4.69 0.59 0.00 0.00 0.00 0.00 36.38 32.20 1trv s VAL 71 CO 0.83 -1.41 1.52 0.29 0.00 0.00 0.00 175.10 176.33 1trv n LYS 72 N 8.03 3.02 -3.20 2.72 5.02 -1.26 -4.84 118.16 127.65 1trv n LYS 72 Ca 0.01 -2.97 -0.00 0.00 -2.02 0.00 0.00 58.31 53.32 1trv n LYS 72 Cb 0.47 -1.94 -0.02 0.00 -0.02 0.00 0.00 35.03 33.52 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 -2.93 -1.99 0.14 7.82 0.00 -1.26 -5.16 121.76 118.39 1trv s ALA 73 Ca 0.46 0.87 0.03 0.00 0.00 0.00 0.00 51.96 53.32 1trv s ALA 73 Cb 0.38 -2.34 -0.04 0.00 0.00 0.00 0.00 23.12 21.12 1trv s ALA 73 CO 0.09 -1.74 0.22 0.95 0.00 0.00 0.00 175.76 175.27 1trv s THR 74 N 2.74 5.01 0.68 0.00 -4.23 -1.26 -4.17 115.64 114.40 1trv s THR 74 Ca 0.11 -0.79 -0.11 0.00 -1.18 0.00 0.00 61.69 59.72 1trv s THR 74 Cb -0.11 -3.55 -0.00 0.00 1.34 0.00 0.00 72.50 70.18 1trv s THR 74 CO -0.26 -0.06 1.06 -2.16 -0.54 0.00 0.00 174.62 172.65 1trv s PRO 75 N -3.07 3.06 -0.10 3.99 0.04 -1.26 -4.94 135.00 132.71 1trv s PRO 75 Ca 0.33 0.82 -0.07 0.00 0.04 0.00 0.00 61.00 62.12 1trv s PRO 75 Cb -0.11 -2.01 0.03 0.00 0.04 0.00 0.00 34.50 32.45 1trv s PRO 75 CO 0.26 -0.98 0.25 0.99 0.04 0.00 0.00 177.00 177.56 1trv s THR 76 N -3.12 -0.02 -0.03 1.26 2.01 -0.71 -3.28 115.64 111.76 1trv s THR 76 Ca 0.57 0.07 0.04 0.00 0.31 0.00 0.00 61.69 62.68 1trv s THR 76 Cb -0.13 -0.37 -0.03 0.00 0.01 0.00 0.00 72.50 71.98 1trv s THR 76 CO 0.54 0.03 -0.13 -0.36 -0.69 0.00 0.00 174.62 174.01 1trv s PHE 77 N 0.66 2.74 0.02 4.92 0.40 -0.96 -1.13 117.98 124.63 1trv s PHE 77 Ca -0.04 -0.13 0.06 0.00 -0.60 0.00 0.00 56.93 56.21 1trv s PHE 77 Cb -0.06 -1.61 -0.02 0.00 0.51 0.00 0.00 43.02 41.85 1trv s PHE 77 CO -0.04 0.25 -0.17 -0.65 0.70 0.00 0.00 175.22 175.31 1trv s GLN 78 N -0.98 1.23 -0.32 0.44 -0.21 -1.15 -2.21 119.66 116.46 1trv s GLN 78 Ca 0.13 -0.77 -0.08 0.00 0.02 0.00 0.00 55.36 54.67 1trv s GLN 78 Cb -0.11 -1.26 0.02 0.00 1.00 0.00 0.00 33.01 32.66 1trv s GLN 78 CO 0.03 0.33 0.12 -0.06 -2.12 0.00 0.00 175.29 173.59 1trv s PHE 79 N -0.67 3.20 0.19 0.91 0.40 0.11 -1.77 117.98 120.33 1trv s PHE 79 Ca 0.05 -1.03 0.07 0.00 -0.60 0.00 0.00 56.93 55.42 1trv s PHE 79 Cb -0.08 -2.31 -0.04 0.00 0.51 0.00 0.00 43.02 41.10 1trv s PHE 79 CO 0.01 -0.61 0.04 -0.06 0.70 0.00 0.00 175.22 175.30 1trv s PHE 80 N 1.50 2.91 -0.19 0.36 0.08 -0.06 -1.80 117.98 120.78 1trv s PHE 80 Ca 0.02 -0.12 -0.08 0.00 0.12 0.00 0.00 56.93 56.87 1trv s PHE 80 Cb -0.18 -1.39 0.08 0.00 -0.57 0.00 0.00 43.02 40.96 1trv s PHE 80 CO 0.04 0.53 0.41 0.21 -0.10 0.00 0.00 175.22 176.31 1trv s LYS 81 N -3.10 0.34 -1.24 0.44 2.47 -0.34 -2.22 119.74 116.09 1trv s LYS 81 Ca 0.29 0.94 0.00 0.00 -1.56 0.00 0.00 55.97 55.64 1trv s LYS 81 Cb -0.09 0.20 0.00 0.00 -1.46 0.00 0.00 37.83 36.48 1trv s LYS 81 CO 0.20 -0.22 0.00 1.63 0.16 0.00 0.00 175.35 177.12 1trv n LYS 82 N 5.01 -1.66 -1.61 4.03 5.02 -1.26 0.90 118.16 128.59 1trv n LYS 82 Ca -0.13 0.69 0.00 0.00 -2.02 0.00 0.00 58.31 56.85 1trv n LYS 82 Cb 0.51 -5.08 0.00 0.00 -0.02 0.00 0.00 35.03 30.44 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 -0.47 0.49 2.86 0.72 0.00 -1.26 -5.05 105.19 102.48 1trv n GLY 83 Ca -0.14 -0.86 -0.25 0.00 0.00 0.00 0.00 46.02 44.77 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 -3.27 1.19 0.09 1.61 -1.52 0.26 -5.11 119.66 112.90 1trv s GLN 84 Ca 0.00 -0.13 -0.31 0.00 -1.95 0.00 0.00 55.36 52.97 1trv s GLN 84 Cb 0.00 -1.34 -0.08 0.00 -0.22 0.00 0.00 33.01 31.37 1trv s GLN 84 CO 0.00 -0.26 1.53 0.21 -0.25 0.00 0.00 175.29 176.52 1trv s LYS 85 N 1.74 4.24 0.00 2.91 2.20 -1.26 -1.20 119.74 128.36 1trv s LYS 85 Ca 0.04 2.21 0.00 0.00 -0.36 0.00 0.00 55.97 57.86 1trv s LYS 85 Cb -0.13 -3.42 0.00 0.00 -1.51 0.00 0.00 37.83 32.77 1trv s LYS 85 CO -0.06 -0.61 0.00 1.33 -0.36 0.00 0.00 175.35 175.64 1trv n VAL 86 N 4.38 0.00 -3.61 4.02 0.24 -0.74 -4.95 118.33 117.67 1trv n VAL 86 Ca 0.14 0.00 -0.12 0.00 -2.04 0.00 0.00 64.34 62.32 1trv n VAL 86 Cb 0.41 0.20 -0.05 0.00 -1.47 0.00 0.00 33.84 32.93 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 -2.00 -0.35 -0.13 7.63 0.00 -1.18 -5.03 107.32 106.26 1trv s GLY 87 Ca 0.00 0.32 -0.31 0.00 0.00 0.00 0.00 44.72 44.72 1trv s GLY 87 CO 0.00 0.04 1.07 -1.83 0.00 0.00 0.00 173.10 172.38 1trv s GLU 88 N -2.95 0.52 -0.04 2.90 1.03 -1.26 0.05 118.70 118.94 1trv s GLU 88 Ca -0.02 -0.10 -0.30 0.00 0.03 0.00 0.00 54.97 54.57 1trv s GLU 88 Cb 0.00 0.24 0.11 0.00 -0.80 0.00 0.00 34.13 33.68 1trv s GLU 88 CO -0.06 -0.21 1.03 -0.59 -1.33 0.00 0.00 175.26 174.10 1trv s PHE 89 N -2.23 -0.23 0.02 4.83 -0.12 -0.94 -5.00 117.98 114.31 1trv s PHE 89 Ca 0.05 0.10 0.04 0.00 -0.05 0.00 0.00 56.93 57.07 1trv s PHE 89 Cb -0.01 0.55 -0.02 0.00 -0.63 0.00 0.00 43.02 42.91 1trv s PHE 89 CO -0.05 -0.46 -0.12 -1.54 -0.05 0.00 0.00 175.22 173.01 1trv s SER 90 N -2.50 1.39 0.00 1.98 1.04 -1.26 -2.26 113.70 112.09 1trv s SER 90 Ca 0.08 -0.34 0.00 0.00 0.48 0.00 0.00 55.95 56.17 1trv s SER 90 Cb -0.01 -0.11 0.00 0.00 0.10 0.00 0.00 66.02 66.01 1trv s SER 90 CO -0.06 0.06 0.00 0.61 0.98 0.00 0.00 173.24 174.83 1trv n GLY 91 N 2.30 4.26 1.61 7.32 0.00 -1.20 -4.95 105.19 114.52 1trv n GLY 91 Ca -0.16 -0.67 -0.03 0.00 0.00 0.00 0.00 46.02 45.16 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 -1.43 4.53 -3.34 4.61 0.00 -1.26 -4.67 120.51 118.95 1trv n ALA 92 Ca 0.00 -0.41 -0.44 0.00 0.00 0.00 0.00 53.44 52.59 1trv n ALA 92 Cb 0.00 -1.29 -0.01 0.00 0.00 0.00 0.00 19.45 18.15 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 1.71 5.48 0.23 0.00 4.05 -1.26 -4.85 115.26 120.62 1trv n ASN 93 Ca 0.10 -3.08 0.12 0.00 0.45 0.00 0.00 54.58 52.16 1trv n ASN 93 Cb 0.59 -1.34 0.72 0.00 1.23 0.00 0.00 39.78 40.98 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 6.46 0.00 -0.07 1.20 -0.00 -1.99 -0.61 116.57 121.56 1trv h LYS 94 Ca 0.18 0.00 -0.10 0.00 -0.00 0.00 0.00 60.65 60.73 1trv h LYS 94 Cb 0.84 0.00 -0.01 0.00 -0.00 0.00 0.00 32.23 33.06 1trv h LYS 94 CO 1.03 0.00 -0.41 0.93 -0.00 0.00 0.00 179.45 181.01 1trv h GLU 95 N 0.00 0.14 -0.19 0.07 5.08 -1.99 -2.64 114.58 115.05 1trv h GLU 95 Ca 0.04 -0.06 -0.03 0.00 -1.00 0.00 0.00 59.36 58.30 1trv h GLU 95 Cb 0.17 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.41 1trv h GLU 95 CO -0.00 0.53 -0.02 -0.22 -1.00 0.00 0.00 179.01 178.30 1trv h LYS 96 N 0.12 0.28 -0.89 2.33 3.64 -1.51 -1.88 116.57 118.66 1trv h LYS 96 Ca 0.01 -0.05 0.22 0.00 -1.27 0.00 0.00 60.65 59.56 1trv h LYS 96 Cb 0.77 -0.05 -0.06 0.00 -0.41 0.00 0.00 32.23 32.49 1trv h LYS 96 CO 0.06 0.33 0.60 -0.07 -2.27 0.00 0.00 179.45 178.10 1trv h LEU 97 N 0.28 0.30 0.39 5.20 3.38 -1.49 0.17 115.31 123.54 1trv h LEU 97 Ca 0.06 0.03 -0.02 0.00 0.09 0.00 0.00 57.88 58.05 1trv h LEU 97 Cb 0.23 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.96 1trv h LEU 97 CO 0.01 0.11 -0.19 -0.08 0.09 0.00 0.00 178.44 178.38 1trv h GLU 98 N 0.30 -0.51 -0.22 1.13 4.81 -1.48 0.23 114.58 118.83 1trv h GLU 98 Ca 0.46 0.03 0.06 0.00 -0.13 0.00 0.00 59.36 59.79 1trv h GLU 98 Cb 1.30 0.12 -0.01 0.00 0.63 0.00 0.00 28.75 30.79 1trv h GLU 98 CO -0.14 -0.34 0.17 0.00 -0.73 0.00 0.00 179.01 177.98 1trv h ALA 99 N -1.70 2.14 -0.10 2.92 0.00 -1.54 -1.87 119.26 119.11 1trv h ALA 99 Ca -0.05 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.77 1trv h ALA 99 Cb 0.40 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1trv h ALA 99 CO 0.09 -0.29 -0.24 1.15 0.00 0.00 0.00 179.25 179.96 1trv h THR 100 N 0.00 1.40 -0.53 0.00 2.02 -0.48 -3.00 112.91 112.31 1trv h THR 100 Ca 0.11 -1.55 0.03 0.00 0.77 0.00 0.00 66.41 65.76 1trv h THR 100 Cb 0.45 2.15 -0.03 0.00 -1.74 0.00 0.00 68.15 68.98 1trv h THR 100 CO -0.00 0.45 0.35 0.40 0.37 0.00 0.00 175.52 177.09 1trv h ILE 101 N -0.11 1.07 0.00 3.11 2.04 0.25 0.41 117.51 124.28 1trv h ILE 101 Ca -0.00 -0.21 0.00 0.00 1.00 0.00 0.00 64.86 65.64 1trv h ILE 101 Cb 0.84 0.39 0.00 0.00 -0.74 0.00 0.00 36.82 37.31 1trv h ILE 101 CO 0.05 0.11 0.00 -3.20 0.00 0.00 0.00 178.15 175.12 1trv n ASN 102 N -4.47 0.00 -0.02 1.72 5.15 -0.92 -2.16 115.26 114.56 1trv n ASN 102 Ca 0.06 -0.86 -0.07 0.00 -0.60 0.00 0.00 54.58 53.11 1trv n ASN 102 Cb 0.13 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 -0.07 -0.43 1.20 4.81 -0.03 -3.35 114.58 116.70 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 0.00 0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.40 1trv h GLU 103 CO 0.00 0.33 0.00 1.28 -0.73 0.00 0.00 179.01 179.89 1trv n LEU 104 N -4.77 4.87 0.00 1.64 4.77 -1.23 -5.13 117.00 117.15 1trv n LEU 104 Ca -0.05 -2.95 0.01 0.00 -0.03 0.00 0.00 56.01 52.99 1trv n LEU 104 Cb 0.21 -0.62 0.09 0.00 -2.33 0.00 0.00 43.42 40.77 1trv n LEU 104 CO 0.16 0.66 0.33 0.55 -1.33 0.00 0.00 177.39 177.75