#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sym s SER 1 N 0.00 2.73 -0.11 3.17 1.04 -1.26 -5.04 113.70 114.22 1sym s SER 1 Ca 0.00 -1.66 -0.05 0.00 0.48 0.00 0.00 55.95 54.72 1sym s SER 1 Cb 0.00 0.47 -0.04 0.00 0.10 0.00 0.00 66.02 66.55 1sym s SER 1 CO 0.00 -0.92 0.11 -0.33 0.98 0.00 0.00 173.24 173.08 1sym h GLU 2 N 1.82 0.00 -0.09 4.02 4.39 -2.03 -3.08 114.58 119.61 1sym h GLU 2 Ca -0.35 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.34 1sym h GLU 2 Cb 1.27 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.92 1sym h GLU 2 CO 0.57 0.16 0.04 1.25 -1.16 0.00 0.00 179.01 179.88 1sym h LEU 3 N -1.00 0.10 0.16 1.33 5.85 -1.98 -1.06 115.31 118.71 1sym h LEU 3 Ca -0.00 -0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.70 1sym h LEU 3 Cb 0.20 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.20 1sym h LEU 3 CO -0.00 0.09 -0.07 -0.08 -0.34 0.00 0.00 178.44 178.03 1sym h GLU 4 N 0.12 -0.20 -0.85 1.25 4.81 -1.97 0.34 114.58 118.08 1sym h GLU 4 Ca 0.03 0.01 0.13 0.00 -0.13 0.00 0.00 59.36 59.40 1sym h GLU 4 Cb 0.01 0.05 -0.06 0.00 0.63 0.00 0.00 28.75 29.38 1sym h GLU 4 CO -0.00 -0.13 0.55 0.87 -0.73 0.00 0.00 179.01 179.56 1sym h LYS 5 N -0.49 0.67 0.00 1.92 1.57 -1.55 0.13 116.57 118.81 1sym h LYS 5 Ca -0.02 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 1sym h LYS 5 Cb 0.16 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.32 1sym h LYS 5 CO 0.04 0.44 -0.00 0.00 -0.57 0.00 0.00 179.45 179.36 1sym h ALA 6 N 1.60 0.00 -0.37 3.86 0.00 -1.27 -2.80 119.26 120.29 1sym h ALA 6 Ca 0.42 -0.03 0.08 0.00 0.00 0.00 0.00 54.91 55.38 1sym h ALA 6 Cb 0.63 0.00 -0.09 0.00 0.00 0.00 0.00 17.79 18.34 1sym h ALA 6 CO -0.18 0.00 -0.30 1.98 0.00 0.00 0.00 179.25 180.75 1sym h MET 7 N -0.02 -0.24 -0.63 0.00 1.85 -0.36 0.29 114.93 115.82 1sym h MET 7 Ca 0.00 0.02 0.10 0.00 -0.61 0.00 0.00 59.70 59.21 1sym h MET 7 Cb 0.00 0.05 -0.04 0.00 0.43 0.00 0.00 31.60 32.05 1sym h MET 7 CO 0.00 -0.16 0.42 0.28 -0.40 0.00 0.00 176.91 177.05 1sym h VAL 8 N -0.25 0.89 -0.55 -5.77 2.07 -0.69 0.67 116.25 112.63 1sym h VAL 8 Ca 0.17 -0.15 -0.00 0.00 0.82 0.00 0.00 66.70 67.53 1sym h VAL 8 Cb 0.52 0.41 -0.03 0.00 -1.52 0.00 0.00 31.29 30.68 1sym h VAL 8 CO -0.51 0.08 0.33 0.00 0.02 0.00 0.00 177.57 177.49 1sym h ALA 9 N 1.68 1.56 -0.05 1.67 0.00 -0.15 -2.20 119.26 121.77 1sym h ALA 9 Ca 0.29 -0.06 0.01 0.00 0.00 0.00 0.00 54.91 55.15 1sym h ALA 9 Cb 0.56 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 1sym h ALA 9 CO -0.09 0.39 -0.02 1.25 0.00 0.00 0.00 179.25 180.78 1sym h LEU 10 N 0.75 -0.07 -1.88 0.00 6.46 -0.36 0.84 115.31 121.05 1sym h LEU 10 Ca 0.20 0.02 0.20 0.00 -0.12 0.00 0.00 57.88 58.18 1sym h LEU 10 Cb -0.03 0.04 -0.03 0.00 -0.73 0.00 0.00 40.66 39.91 1sym h LEU 10 CO -0.04 -0.03 0.63 0.40 -0.62 0.00 0.00 178.44 178.78 1sym h ILE 11 N -0.02 0.38 -0.11 4.05 2.04 -1.35 0.24 117.51 122.74 1sym h ILE 11 Ca 0.03 0.00 -0.09 0.00 1.00 0.00 0.00 64.86 65.80 1sym h ILE 11 Cb 0.06 0.52 0.00 0.00 -0.74 0.00 0.00 36.82 36.66 1sym h ILE 11 CO -0.06 0.00 -0.29 -0.78 0.00 0.00 0.00 178.15 177.03 1sym h ASP 12 N 0.00 0.44 -0.70 1.72 3.58 -0.70 -3.06 116.42 117.70 1sym h ASP 12 Ca 0.33 -0.59 0.15 0.00 0.42 0.00 0.00 57.03 57.33 1sym h ASP 12 Cb 1.58 -0.13 -0.10 0.00 1.72 0.00 0.00 39.33 42.40 1sym h ASP 12 CO -0.00 0.95 0.16 0.58 -2.88 0.00 0.00 179.24 178.05 1sym h VAL 13 N -0.05 0.55 -0.82 2.25 2.07 -0.06 0.15 116.25 120.34 1sym h VAL 13 Ca -0.01 -0.09 -0.01 0.00 0.82 0.00 0.00 66.70 67.41 1sym h VAL 13 Cb 0.90 0.26 -0.04 0.00 -1.52 0.00 0.00 31.29 30.89 1sym h VAL 13 CO 0.06 0.05 0.47 0.15 0.02 0.00 0.00 177.57 178.32 1sym h PHE 14 N 0.27 1.09 0.00 1.57 3.57 -1.53 0.25 116.94 122.17 1sym h PHE 14 Ca 0.39 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.87 1sym h PHE 14 Cb 0.63 -0.36 0.00 0.00 2.79 0.00 0.00 35.95 39.02 1sym h PHE 14 CO -0.26 0.75 0.00 1.25 -2.23 0.00 0.00 178.31 177.82 1sym h HIS 15 N 1.13 0.00 0.00 0.41 2.76 -0.73 -2.34 115.15 116.38 1sym h HIS 15 Ca 0.29 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.46 1sym h HIS 15 Cb -0.01 0.00 0.00 0.00 1.55 0.00 0.00 27.41 28.95 1sym h HIS 15 CO -0.00 0.00 0.00 0.94 -1.30 0.00 0.00 177.93 177.57 1sym n GLN 16 N -2.90 0.00 -0.29 5.26 7.27 0.22 -2.77 117.38 124.17 1sym n GLN 16 Ca 0.01 0.02 0.00 0.00 0.07 0.00 0.00 57.00 57.11 1sym n GLN 16 Cb 0.28 -0.22 0.07 0.00 2.41 0.00 0.00 30.24 32.77 1sym n GLN 16 CO 0.00 0.00 0.00 1.88 0.07 0.00 0.00 177.06 179.01 1sym h TYR 17 N 0.00 -0.71 -0.03 3.69 -1.99 -0.74 0.78 116.97 117.97 1sym h TYR 17 Ca 0.00 0.08 -0.12 0.00 2.00 0.00 0.00 58.73 60.70 1sym h TYR 17 Cb 0.00 0.43 -0.01 0.00 2.00 0.00 0.00 36.73 39.15 1sym h TYR 17 CO 0.00 -0.38 -0.52 1.03 -0.00 0.00 0.00 178.16 178.29 1sym h SER 18 N -0.04 0.08 0.20 3.88 0.87 -1.54 -2.30 113.55 114.72 1sym h SER 18 Ca 0.35 -0.04 0.00 0.00 -1.23 0.00 0.00 61.79 60.87 1sym h SER 18 Cb 0.60 -0.02 0.00 0.00 -0.44 0.00 0.00 62.40 62.53 1sym h SER 18 CO -0.85 0.59 0.00 0.61 -0.53 0.00 0.00 176.83 176.65 1sym n GLY 19 N -0.00 -0.72 0.13 5.77 0.00 0.26 -3.66 105.19 106.96 1sym n GLY 19 Ca -0.02 -0.09 -0.05 0.00 0.00 0.00 0.00 46.02 45.87 1sym n GLY 19 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1sym h ARG 20 N 0.00 -0.31 0.00 1.61 3.08 -0.52 -3.45 114.38 114.78 1sym h ARG 20 Ca 0.00 0.02 -0.01 0.00 0.07 0.00 0.00 59.98 60.06 1sym h ARG 20 Cb 0.10 0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.23 1sym h ARG 20 CO 0.00 -0.21 0.01 0.39 -1.07 0.00 0.00 179.97 179.09 1sym n GLU 21 N -2.93 -0.03 0.35 0.04 -0.58 -1.24 -4.97 120.64 111.27 1sym n GLU 21 Ca -0.04 -0.05 -0.18 0.00 -0.42 0.00 0.00 57.16 56.48 1sym n GLU 21 Cb 0.13 -0.03 -0.09 0.00 -0.57 0.00 0.00 31.44 30.88 1sym n GLU 21 CO 0.00 0.00 0.00 0.78 -0.48 0.00 0.00 177.13 177.43 1sym h GLY 22 N -0.04 -1.08 -3.96 0.62 0.00 -1.87 -3.43 103.07 93.32 1sym h GLY 22 Ca -0.01 0.46 -0.61 0.00 0.00 0.00 0.00 47.33 47.17 1sym h GLY 22 CO 0.01 -0.37 -0.69 2.09 0.00 0.00 0.00 176.54 177.57 1sym n ASP 23 N -5.54 -1.96 -0.59 0.19 5.75 -1.26 -4.90 116.55 108.25 1sym n ASP 23 Ca -0.13 0.82 0.00 0.00 -0.01 0.00 0.00 54.79 55.47 1sym n ASP 23 Cb 0.42 -1.01 0.00 0.00 -1.03 0.00 0.00 41.12 39.51 1sym n ASP 23 CO 0.00 0.00 0.00 1.17 -0.11 0.00 0.00 177.20 178.26 1sym n LYS 24 N 0.87 0.00 -0.39 0.11 3.00 -1.26 -4.23 118.16 116.26 1sym n LYS 24 Ca 0.11 -1.08 0.00 0.00 -0.00 0.00 0.00 58.31 57.34 1sym n LYS 24 Cb 0.42 -0.45 0.00 0.00 0.00 0.00 0.00 35.03 35.00 1sym n LYS 24 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.40 178.12 1sym n HIS 25 N 0.05 0.00 -3.70 5.64 8.25 -1.26 -4.83 115.22 119.36 1sym n HIS 25 Ca 0.01 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.36 1sym n HIS 25 Cb 0.74 0.15 -0.11 0.00 1.12 0.00 0.00 29.99 31.88 1sym n HIS 25 CO 0.00 0.00 0.00 -1.59 0.64 0.00 0.00 176.34 175.39 1sym s LYS 26 N 0.00 0.36 0.00 -0.41 0.00 -1.26 -4.51 119.74 113.91 1sym s LYS 26 Ca 0.00 0.72 0.00 0.00 0.00 0.00 0.00 55.97 56.69 1sym s LYS 26 Cb 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 37.83 37.80 1sym s LYS 26 CO 0.00 -0.15 0.00 -0.11 0.00 0.00 0.00 175.35 175.09 1sym n LEU 27 N 4.18 0.00 -4.01 2.77 7.94 -0.38 -4.87 117.00 122.63 1sym n LEU 27 Ca -0.23 0.00 -0.22 0.00 -1.11 0.00 0.00 56.01 54.45 1sym n LEU 27 Cb 0.55 0.00 -0.16 0.00 0.53 0.00 0.00 43.42 44.34 1sym n LEU 27 CO 0.10 -0.33 -0.45 -0.75 -1.11 0.00 0.00 177.39 174.85 1sym s LYS 28 N -0.37 1.21 0.56 1.96 2.20 -1.26 -0.99 119.74 123.05 1sym s LYS 28 Ca 0.00 -0.35 0.49 0.00 -0.36 0.00 0.00 55.97 55.75 1sym s LYS 28 Cb 0.00 -1.08 1.72 0.00 -1.51 0.00 0.00 37.83 36.96 1sym s LYS 28 CO 0.00 0.10 1.60 1.57 -0.36 0.00 0.00 175.35 178.25 1sym h LYS 29 N 6.56 0.00 0.24 4.03 5.09 -1.84 0.75 116.57 131.39 1sym h LYS 29 Ca -0.33 0.00 -0.31 0.00 0.09 0.00 0.00 60.65 60.10 1sym h LYS 29 Cb 1.17 0.00 0.04 0.00 0.10 0.00 0.00 32.23 33.54 1sym h LYS 29 CO 0.48 0.00 -1.37 1.03 -2.09 0.00 0.00 179.45 177.51 1sym h SER 30 N 0.00 0.78 1.07 7.07 0.87 -1.90 -2.37 113.55 119.07 1sym h SER 30 Ca 0.90 -0.93 0.00 0.00 -1.23 0.00 0.00 61.79 60.54 1sym h SER 30 Cb 3.63 -0.25 0.00 0.00 -0.44 0.00 0.00 62.40 65.34 1sym h SER 30 CO -0.01 1.66 0.00 -0.08 -0.53 0.00 0.00 176.83 177.87 1sym h GLU 31 N 0.05 0.00 0.00 2.24 4.57 -0.01 -1.01 114.58 120.42 1sym h GLU 31 Ca -0.24 0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 57.92 1sym h GLU 31 Cb 2.08 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 30.66 1sym h GLU 31 CO 0.25 0.00 -0.14 1.25 -1.18 0.00 0.00 179.01 179.20 1sym h LEU 32 N 0.00 0.00 -1.37 1.64 5.85 -0.89 0.14 115.31 120.68 1sym h LEU 32 Ca 0.00 -0.45 0.12 0.00 0.84 0.00 0.00 57.88 58.39 1sym h LEU 32 Cb 0.53 0.00 -0.06 0.00 0.37 0.00 0.00 40.66 41.51 1sym h LEU 32 CO 0.00 0.80 0.53 0.50 -0.34 0.00 0.00 178.44 179.93 1sym h LYS 33 N -1.00 0.65 -0.07 1.25 3.64 -1.39 0.21 116.57 119.86 1sym h LYS 33 Ca -0.03 -0.04 -0.20 0.00 -1.27 0.00 0.00 60.65 59.12 1sym h LYS 33 Cb 0.55 -0.15 -0.00 0.00 -0.41 0.00 0.00 32.23 32.22 1sym h LYS 33 CO -0.02 0.43 -0.77 0.93 -2.27 0.00 0.00 179.45 177.75 1sym h GLU 34 N 0.67 0.46 -0.93 1.90 4.39 -1.25 -1.88 114.58 117.94 1sym h GLU 34 Ca 0.39 -0.39 0.06 0.00 0.34 0.00 0.00 59.36 59.76 1sym h GLU 34 Cb 0.58 0.09 -0.06 0.00 -0.10 0.00 0.00 28.75 29.26 1sym h GLU 34 CO -0.15 1.03 0.60 1.25 -1.16 0.00 0.00 179.01 180.58 1sym h LEU 35 N 0.30 0.94 0.00 1.33 7.12 0.23 0.53 115.31 125.77 1sym h LEU 35 Ca -0.04 0.01 -0.02 0.00 0.13 0.00 0.00 57.88 57.96 1sym h LEU 35 Cb 1.37 -0.20 -0.00 0.00 -0.53 0.00 0.00 40.66 41.30 1sym h LEU 35 CO 0.14 0.61 -0.10 0.40 -0.13 0.00 0.00 178.44 179.35 1sym h ILE 36 N 1.07 1.22 0.00 4.05 2.04 -1.24 -2.48 117.51 122.16 1sym h ILE 36 Ca 0.40 -1.95 0.00 0.00 1.00 0.00 0.00 64.86 64.31 1sym h ILE 36 Cb 0.18 2.34 0.00 0.00 -0.74 0.00 0.00 36.82 38.60 1sym h ILE 36 CO -0.15 0.41 0.00 -3.20 0.00 0.00 0.00 178.15 175.21 1sym n ASN 37 N -4.64 0.00 -0.01 1.72 2.85 -0.72 -1.99 115.26 112.47 1sym n ASN 37 Ca -0.09 -0.53 -0.03 0.00 -0.11 0.00 0.00 54.58 53.82 1sym n ASN 37 Cb 0.36 -0.09 -0.01 0.00 1.24 0.00 0.00 39.78 41.29 1sym n ASN 37 CO 0.00 0.00 0.00 -3.20 -2.11 0.00 0.00 177.26 171.95 1sym n ASN 38 N -1.09 0.93 0.31 1.20 5.15 0.19 -4.55 115.26 117.40 1sym n ASN 38 Ca 0.16 0.14 -0.16 0.00 -0.60 0.00 0.00 54.58 54.12 1sym n ASN 38 Cb 0.11 -0.41 -0.08 0.00 -0.53 0.00 0.00 39.78 38.87 1sym n ASN 38 CO 0.00 0.00 0.00 -0.33 1.40 0.00 0.00 177.26 178.33 1sym h GLU 39 N -0.28 -0.77 0.00 1.20 3.07 -1.54 -3.41 114.58 112.85 1sym h GLU 39 Ca 0.00 0.05 0.00 0.00 -0.50 0.00 0.00 59.36 58.91 1sym h GLU 39 Cb 0.28 0.17 0.00 0.00 -0.84 0.00 0.00 28.75 28.36 1sym h GLU 39 CO 0.00 -0.46 0.00 1.28 -1.40 0.00 0.00 179.01 178.43 1sym n LEU 40 N -5.36 0.00 -3.15 1.33 4.77 -1.07 -4.92 117.00 108.58 1sym n LEU 40 Ca -0.12 0.00 -0.05 0.00 -0.03 0.00 0.00 56.01 55.81 1sym n LEU 40 Cb 0.35 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.44 1sym n LEU 40 CO 0.33 0.00 -0.46 -0.24 -1.33 0.00 0.00 177.39 175.69 1sym n SER 41 N 0.00 -6.24 0.15 -1.43 2.88 -0.84 -4.87 113.62 103.27 1sym n SER 41 Ca 0.00 0.32 0.00 0.00 -1.33 0.00 0.00 58.87 57.86 1sym n SER 41 Cb 0.00 -1.53 0.00 0.00 -0.75 0.00 0.00 64.21 61.93 1sym n SER 41 CO 0.00 0.00 0.00 1.57 -1.23 0.00 0.00 175.04 175.38 1sym n HIS 42 N 1.09 -3.93 0.16 0.66 -0.00 -1.26 -4.92 115.22 107.02 1sym n HIS 42 Ca -0.01 1.06 -0.02 0.00 -0.00 0.00 0.00 57.72 58.75 1sym n HIS 42 Cb 0.51 2.80 0.13 0.00 -0.00 0.00 0.00 29.99 33.43 1sym n HIS 42 CO 0.00 0.00 0.00 1.97 -0.00 0.00 0.00 176.34 178.31 1sym n PHE 43 N -3.28 1.02 -3.05 1.57 1.16 -1.26 -4.86 117.46 108.77 1sym n PHE 43 Ca 0.00 -0.59 -0.40 0.00 -1.87 0.00 0.00 57.45 54.59 1sym n PHE 43 Cb 0.00 -0.37 -0.05 0.00 -1.61 0.00 0.00 39.48 37.44 1sym n PHE 43 CO 0.00 0.00 0.00 -0.51 -1.87 0.00 0.00 176.76 174.38 1sym s LEU 44 N -1.23 4.19 0.00 5.98 1.02 -1.26 -4.91 118.68 122.47 1sym s LEU 44 Ca 0.23 1.00 0.00 0.00 0.02 0.00 0.00 54.13 55.38 1sym s LEU 44 Cb 0.18 -3.02 0.00 0.00 0.02 0.00 0.00 46.19 43.38 1sym s LEU 44 CO 0.06 -0.27 0.00 -0.62 0.02 0.00 0.00 176.35 175.54 1sym n GLU 45 N 4.79 0.00 -0.02 1.70 1.02 -1.26 -4.97 120.64 121.90 1sym n GLU 45 Ca 0.00 0.00 0.04 0.00 -0.02 0.00 0.00 57.16 57.18 1sym n GLU 45 Cb 0.50 0.00 -0.11 0.00 -0.02 0.00 0.00 31.44 31.81 1sym n GLU 45 CO 0.00 0.00 0.00 -0.85 1.18 0.00 0.00 177.13 177.46 1sym n GLU 46 N -1.29 0.80 -2.67 3.49 0.28 -1.26 -5.07 120.64 114.92 1sym n GLU 46 Ca 0.00 -0.10 -0.01 0.00 -0.16 0.00 0.00 57.16 56.89 1sym n GLU 46 Cb 0.00 -1.34 0.00 0.00 1.43 0.00 0.00 31.44 31.53 1sym n GLU 46 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 177.13 176.08 1sym n ILE 47 N -2.13-11.49 0.07 3.84 5.41 -1.26 -4.89 119.36 108.91 1sym n ILE 47 Ca -0.08 1.66 -0.06 0.00 1.00 0.00 0.00 62.75 65.28 1sym n ILE 47 Cb 0.52 -6.85 0.12 0.00 -0.71 0.00 0.00 39.64 32.72 1sym n ILE 47 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 176.55 177.05 1sym h LYS 48 N 2.79 0.29 -2.84 0.38 3.64 -1.89 -3.28 116.57 115.66 1sym h LYS 48 Ca 0.00 -0.20 -0.71 0.00 -1.27 0.00 0.00 60.65 58.47 1sym h LYS 48 Cb 0.12 0.03 -0.06 0.00 -0.41 0.00 0.00 32.23 31.90 1sym h LYS 48 CO 0.11 0.79 3.00 0.39 -2.27 0.00 0.00 179.45 181.47 1sym n GLU 49 N -3.90 4.16 0.28 1.90 -0.58 -1.12 -4.65 120.64 116.73 1sym n GLU 49 Ca -0.02 -2.94 0.17 0.00 -0.42 0.00 0.00 57.16 53.94 1sym n GLU 49 Cb 0.61 -2.73 0.84 0.00 -0.57 0.00 0.00 31.44 29.59 1sym n GLU 49 CO 0.00 0.00 0.00 0.37 -0.48 0.00 0.00 177.13 177.02 1sym h GLN 50 N 4.84 0.00 0.16 3.49 4.15 -1.90 0.22 115.11 126.07 1sym h GLN 50 Ca 0.76 0.00 -0.29 0.00 0.77 0.00 0.00 58.65 59.89 1sym h GLN 50 Cb 0.32 0.00 0.01 0.00 0.21 0.00 0.00 27.48 28.02 1sym h GLN 50 CO 1.62 0.00 -1.30 0.93 -1.93 0.00 0.00 178.83 178.15 1sym h GLU 51 N 0.00 0.33 0.07 1.69 5.08 -1.93 -0.51 114.58 119.31 1sym h GLU 51 Ca 0.04 -0.56 -0.00 0.00 -1.00 0.00 0.00 59.36 57.84 1sym h GLU 51 Cb 0.67 0.21 0.00 0.00 0.50 0.00 0.00 28.75 30.13 1sym h GLU 51 CO -0.00 1.27 -0.03 0.28 -1.00 0.00 0.00 179.01 179.53 1sym h VAL 52 N 0.09 1.19 -0.01 3.13 2.07 -0.96 0.33 116.25 122.10 1sym h VAL 52 Ca -0.16 -0.96 -0.14 0.00 0.82 0.00 0.00 66.70 66.26 1sym h VAL 52 Cb 2.02 1.81 -0.02 0.00 -1.52 0.00 0.00 31.29 33.58 1sym h VAL 52 CO 0.22 0.24 -0.65 0.58 0.02 0.00 0.00 177.57 177.98 1sym h VAL 53 N -0.53 1.45 0.00 2.57 2.07 -1.53 -2.29 116.25 118.00 1sym h VAL 53 Ca -0.01 -2.19 0.00 0.00 0.82 0.00 0.00 66.70 65.32 1sym h VAL 53 Cb 0.46 2.17 0.00 0.00 -1.52 0.00 0.00 31.29 32.40 1sym h VAL 53 CO 0.02 0.63 0.00 -0.78 0.02 0.00 0.00 177.57 177.45 1sym h ASP 54 N 0.03 0.00 0.02 0.57 3.58 -1.05 0.00 116.42 119.57 1sym h ASP 54 Ca -0.01 0.00 -0.05 0.00 0.42 0.00 0.00 57.03 57.39 1sym h ASP 54 Cb 1.15 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.20 1sym h ASP 54 CO 0.09 0.00 -0.23 0.50 -2.88 0.00 0.00 179.24 176.72 1sym h LYS 55 N 0.00 0.04 0.03 0.28 3.11 -0.01 -1.31 116.57 118.71 1sym h LYS 55 Ca 0.00 -0.08 -0.23 0.00 -2.81 0.00 0.00 60.65 57.53 1sym h LYS 55 Cb 0.92 0.03 0.00 0.00 -1.00 0.00 0.00 32.23 32.18 1sym h LYS 55 CO 0.00 1.04 -1.00 -0.39 -2.81 0.00 0.00 179.45 176.29 1sym h VAL 56 N -0.90 1.42 0.00 2.00 -1.51 -1.50 -2.66 116.25 113.10 1sym h VAL 56 Ca -0.05 -2.57 -0.06 0.00 -1.23 0.00 0.00 66.70 62.79 1sym h VAL 56 Cb 1.12 2.53 -0.01 0.00 -2.13 0.00 0.00 31.29 32.80 1sym h VAL 56 CO 0.01 0.76 -0.27 -0.03 -1.23 0.00 0.00 177.57 176.81 1sym h MET 57 N 0.19 0.00 0.17 5.19 1.85 -1.12 -1.00 114.93 120.21 1sym h MET 57 Ca -0.09 0.00 -0.01 0.00 -0.61 0.00 0.00 59.70 58.99 1sym h MET 57 Cb 1.65 0.00 0.00 0.00 0.43 0.00 0.00 31.60 33.68 1sym h MET 57 CO 0.17 0.27 -0.08 0.93 -0.40 0.00 0.00 176.91 177.80 1sym h GLU 58 N 0.00 -0.22 0.00 0.39 5.08 -1.09 -1.59 114.58 117.15 1sym h GLU 58 Ca -0.00 0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.37 1sym h GLU 58 Cb 0.76 0.05 -0.00 0.00 0.50 0.00 0.00 28.75 30.06 1sym h GLU 58 CO 0.04 0.18 -0.03 1.15 -1.00 0.00 0.00 179.01 179.34 1sym h THR 59 N -0.91 0.72 0.29 1.13 2.02 -1.46 0.45 112.91 115.16 1sym h THR 59 Ca -0.02 -0.12 -0.01 0.00 0.77 0.00 0.00 66.41 67.02 1sym h THR 59 Cb 0.50 1.07 0.00 0.00 -1.74 0.00 0.00 68.15 67.99 1sym h THR 59 CO 0.04 0.03 -0.14 -0.07 0.37 0.00 0.00 175.52 175.75 1sym h LEU 60 N 0.00 -0.33 -0.01 2.58 3.38 -1.09 -2.79 115.31 117.04 1sym h LEU 60 Ca -0.00 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 57.80 1sym h LEU 60 Cb 0.07 0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.90 1sym h LEU 60 CO 0.00 0.00 -0.00 -0.67 0.09 0.00 0.00 178.44 177.86 1sym n ASP 61 N -5.14 0.02 0.09 -0.43 2.03 -0.61 -2.68 116.55 109.84 1sym n ASP 61 Ca -0.10 -0.41 -0.22 0.00 0.52 0.00 0.00 54.79 54.58 1sym n ASP 61 Cb 0.25 -0.19 -0.15 0.00 -0.72 0.00 0.00 41.12 40.31 1sym n ASP 61 CO 0.00 0.00 0.00 -0.08 -1.92 0.00 0.00 177.20 175.20 1sym h GLU 62 N 0.03 0.40 0.00 -0.67 4.81 0.13 -3.41 114.58 115.88 1sym h GLU 62 Ca 0.00 -0.68 0.00 0.00 -0.13 0.00 0.00 59.36 58.55 1sym h GLU 62 Cb 0.21 0.25 0.00 0.00 0.63 0.00 0.00 28.75 29.84 1sym h GLU 62 CO 0.00 1.33 -0.70 -0.40 -0.73 0.00 0.00 179.01 178.50 1sym n ASP 63 N -3.96 1.80 -1.93 1.04 5.68 -1.11 -4.90 116.55 113.18 1sym n ASP 63 Ca -0.15 0.49 -0.05 0.00 -0.50 0.00 0.00 54.79 54.58 1sym n ASP 63 Cb 0.94 -0.80 -0.01 0.00 -1.14 0.00 0.00 41.12 40.10 1sym n ASP 63 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1sym n GLY 64 N 1.55 -0.12 0.00 6.12 0.00 -1.09 -4.51 105.19 107.14 1sym n GLY 64 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.92 1sym n GLY 64 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1sym n ASP 65 N -0.75 0.00 -0.81 1.61 2.03 -1.26 -4.96 116.55 112.41 1sym n ASP 65 Ca -0.05 -0.25 0.00 0.00 0.52 0.00 0.00 54.79 55.01 1sym n ASP 65 Cb 0.38 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.78 1sym n ASP 65 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1sym n GLY 66 N 0.00 5.30 3.40 0.27 0.00 -1.26 -5.06 105.19 107.84 1sym n GLY 66 Ca 0.00 -2.10 -0.25 0.00 0.00 0.00 0.00 46.02 43.67 1sym n GLY 66 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1sym s GLU 67 N 0.07 1.47 0.34 1.61 8.01 -1.26 -3.17 118.70 125.77 1sym s GLU 67 Ca 0.00 -1.53 0.07 0.00 0.01 0.00 0.00 54.97 53.52 1sym s GLU 67 Cb 0.00 -1.69 -0.01 0.00 -4.31 0.00 0.00 34.13 28.13 1sym s GLU 67 CO 0.00 0.35 0.47 0.00 0.01 0.00 0.00 175.26 176.09 1sym n ASP 69 N -1.65 0.20 -0.04 0.00 -0.08 -1.26 -1.24 116.55 112.49 1sym n ASP 69 Ca 0.00 -0.36 -0.13 0.00 -1.51 0.00 0.00 54.79 52.79 1sym n ASP 69 Cb 0.58 0.00 -0.14 0.00 2.34 0.00 0.00 41.12 43.90 1sym n ASP 69 CO 0.00 0.00 0.00 2.22 0.12 0.00 0.00 177.20 179.54 1sym n PHE 70 N -0.32 0.84 0.16 -0.67 -1.74 -1.26 -2.80 117.46 111.66 1sym n PHE 70 Ca 0.00 0.25 0.05 0.00 -0.56 0.00 0.00 57.45 57.19 1sym n PHE 70 Cb 0.00 -1.14 0.06 0.00 1.52 0.00 0.00 39.48 39.93 1sym n PHE 70 CO 0.00 0.00 0.00 1.96 -0.56 0.00 0.00 176.76 178.16 1sym h GLN 71 N 0.02 0.00 0.04 3.97 4.20 -1.97 -2.32 115.11 119.05 1sym h GLN 71 Ca -0.39 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.32 1sym h GLN 71 Cb 2.05 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.83 1sym h GLN 71 CO 0.06 0.36 -0.02 0.93 -0.67 0.00 0.00 178.83 179.49 1sym h GLU 72 N 0.00 -0.05 0.00 1.46 4.39 -1.96 -1.85 114.58 116.57 1sym h GLU 72 Ca -0.01 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1sym h GLU 72 Cb 1.28 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.94 1sym h GLU 72 CO 0.05 0.48 0.00 0.35 -1.16 0.00 0.00 179.01 178.73 1sym h PHE 73 N -0.96 0.00 0.02 4.33 3.04 -1.62 0.08 116.94 121.82 1sym h PHE 73 Ca -0.01 0.00 -0.00 0.00 3.98 0.00 0.00 57.97 61.94 1sym h PHE 73 Cb 0.56 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.07 1sym h PHE 73 CO 0.14 0.00 -0.01 0.52 -2.02 0.00 0.00 178.31 176.94 1sym h MET 74 N 0.00 -0.03 0.00 1.11 2.86 -1.41 -2.32 114.93 115.14 1sym h MET 74 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1sym h MET 74 Cb 0.22 0.01 0.00 0.00 0.06 0.00 0.00 31.60 31.89 1sym h MET 74 CO 0.00 0.68 0.00 0.00 1.06 0.00 0.00 176.91 178.65 1sym h ALA 75 N -0.17 1.00 0.24 6.32 0.00 -1.06 -2.81 119.26 122.78 1sym h ALA 75 Ca -0.00 0.00 -0.33 0.00 0.00 0.00 0.00 54.91 54.58 1sym h ALA 75 Cb 0.72 0.00 0.03 0.00 0.00 0.00 0.00 17.79 18.55 1sym h ALA 75 CO 0.00 0.00 -1.46 0.74 0.00 0.00 0.00 179.25 178.53 1sym h PHE 76 N 0.00 0.92 0.00 0.00 -1.00 -1.01 -2.99 116.94 112.86 1sym h PHE 76 Ca 0.00 -0.67 -0.08 0.00 2.81 0.00 0.00 57.97 60.02 1sym h PHE 76 Cb 0.46 -0.04 -0.01 0.00 3.61 0.00 0.00 35.95 39.97 1sym h PHE 76 CO 0.00 1.53 -0.40 0.28 -1.61 0.00 0.00 178.31 178.11 1sym h VAL 77 N 0.14 0.98 0.07 -0.55 2.07 -1.18 -3.12 116.25 114.66 1sym h VAL 77 Ca -0.24 -1.54 -0.17 0.00 0.82 0.00 0.00 66.70 65.56 1sym h VAL 77 Cb 2.15 1.91 0.02 0.00 -1.52 0.00 0.00 31.29 33.85 1sym h VAL 77 CO 0.27 0.39 -0.70 0.28 0.02 0.00 0.00 177.57 177.82 1sym h SER 78 N 0.00 0.50 -0.58 0.57 0.02 -1.57 -2.78 113.55 109.71 1sym h SER 78 Ca -0.00 -0.85 0.04 0.00 -0.84 0.00 0.00 61.79 60.14 1sym h SER 78 Cb 0.88 -0.16 -0.05 0.00 0.14 0.00 0.00 62.40 63.22 1sym h SER 78 CO 0.05 1.30 0.33 0.24 -1.14 0.00 0.00 176.83 177.61 1sym h MET 79 N -0.23 0.61 -0.35 3.45 2.07 -1.53 -2.14 114.93 116.81 1sym h MET 79 Ca -0.11 -0.04 -0.15 0.00 -2.07 0.00 0.00 59.70 57.33 1sym h MET 79 Cb 1.47 -0.14 -0.00 0.00 -1.87 0.00 0.00 31.60 31.06 1sym h MET 79 CO 0.13 0.40 -0.38 -0.39 1.07 0.00 0.00 176.91 177.75 1sym h VAL 80 N 0.63 1.28 0.00 -2.22 -1.51 -1.64 -0.43 116.25 112.35 1sym h VAL 80 Ca 0.25 -1.56 0.00 0.00 -1.23 0.00 0.00 66.70 64.17 1sym h VAL 80 Cb 0.11 1.46 0.00 0.00 -2.13 0.00 0.00 31.29 30.73 1sym h VAL 80 CO -0.14 0.51 0.00 0.41 -1.23 0.00 0.00 177.57 177.12 1sym n THR 81 N -4.10 1.12 0.14 7.19 -1.04 -1.03 -1.70 114.28 114.86 1sym n THR 81 Ca -0.03 0.28 0.02 0.00 -2.04 0.00 0.00 64.05 62.28 1sym n THR 81 Cb 0.54 -1.10 0.01 0.00 -1.82 0.00 0.00 70.33 67.96 1sym n THR 81 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 1sym n THR 82 N -1.43 0.00 0.30 12.58 -2.24 -0.83 -4.75 114.28 117.91 1sym n THR 82 Ca 0.03 -0.50 -0.12 0.00 -2.27 0.00 0.00 64.05 61.20 1sym n THR 82 Cb 0.11 1.07 -0.06 0.00 -2.10 0.00 0.00 70.33 69.35 1sym n THR 82 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1sym h ALA 83 N 0.65 -1.16 -1.91 6.98 0.00 -0.19 -3.42 119.26 120.21 1sym h ALA 83 Ca 0.00 -0.17 -0.64 0.00 0.00 0.00 0.00 54.91 54.10 1sym h ALA 83 Cb 0.14 0.30 0.07 0.00 0.00 0.00 0.00 17.79 18.29 1sym h ALA 83 CO 0.00 -1.10 0.49 0.00 0.00 0.00 0.00 179.25 178.64 1sym h HIS 85 N 4.40 0.33 -2.29 0.00 2.76 -1.93 -3.39 115.15 115.04 1sym h HIS 85 Ca -0.45 -0.07 -0.53 0.00 -2.20 0.00 0.00 60.37 57.12 1sym h HIS 85 Cb 1.31 -0.08 -0.06 0.00 1.55 0.00 0.00 27.41 30.13 1sym h HIS 85 CO 0.58 0.58 1.18 -1.83 -1.30 0.00 0.00 177.93 177.14 1sym s GLU 86 N -4.72 2.99 0.00 5.26 -1.05 -1.26 -4.68 118.70 115.24 1sym s GLU 86 Ca -0.14 0.21 0.00 0.00 -0.15 0.00 0.00 54.97 54.89 1sym s GLU 86 Cb 0.05 -4.25 0.00 0.00 -0.44 0.00 0.00 34.13 29.49 1sym s GLU 86 CO 0.73 -2.34 0.00 1.97 0.95 0.00 0.00 175.26 176.57 1sym n PHE 87 N 10.72 0.00 0.01 4.83 1.16 -1.26 -4.65 117.46 128.27 1sym n PHE 87 Ca 0.11 0.00 0.01 0.00 -1.87 0.00 0.00 57.45 55.70 1sym n PHE 87 Cb 0.50 0.00 0.02 0.00 -1.61 0.00 0.00 39.48 38.39 1sym n PHE 87 CO 0.00 0.00 0.00 1.19 -1.87 0.00 0.00 176.76 176.08 1sym n PHE 88 N -1.00 0.05 -3.97 2.97 3.72 -1.26 -4.91 117.46 113.06 1sym n PHE 88 Ca 0.00 -0.30 -0.31 0.00 -0.05 0.00 0.00 57.45 56.79 1sym n PHE 88 Cb 0.00 -0.03 -0.15 0.00 -0.94 0.00 0.00 39.48 38.36 1sym n PHE 88 CO 0.00 0.00 0.00 -2.00 -0.05 0.00 0.00 176.76 174.71 1sym s GLU 89 N -0.66 1.37 -0.66 -1.08 2.12 -1.26 -5.01 118.70 113.51 1sym s GLU 89 Ca 0.03 -1.77 0.05 0.00 0.36 0.00 0.00 54.97 53.65 1sym s GLU 89 Cb 0.02 -3.01 0.24 0.00 0.26 0.00 0.00 34.13 31.64 1sym s GLU 89 CO 0.03 -0.95 0.74 -2.39 -0.54 0.00 0.00 175.26 172.14 1sym n HIS 90 N 4.31 3.58 1.42 5.30 1.44 -1.26 -4.99 115.22 125.02 1sym n HIS 90 Ca 0.03 -4.14 0.14 0.00 -2.01 0.00 0.00 57.72 51.74 1sym n HIS 90 Cb 0.42 -0.60 0.46 0.00 0.12 0.00 0.00 29.99 30.39 1sym n HIS 90 CO 0.00 0.00 0.00 -1.91 -2.81 0.00 0.00 176.34 171.62