#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sym n SER 1 N 0.00 -0.88 0.14 7.83 3.41 -1.26 -5.02 113.62 117.84 1sym n SER 1 Ca 0.00 -1.71 -0.23 0.00 -0.26 0.00 0.00 58.87 56.68 1sym n SER 1 Cb 0.00 1.49 -0.15 0.00 -0.26 0.00 0.00 64.21 65.29 1sym n SER 1 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 1sym h GLU 2 N 0.00 0.49 0.00 4.33 4.57 -2.05 -3.07 114.58 118.86 1sym h GLU 2 Ca -0.14 -0.82 -0.00 0.00 -1.18 0.00 0.00 59.36 57.22 1sym h GLU 2 Cb 0.52 0.30 0.00 0.00 -0.16 0.00 0.00 28.75 29.41 1sym h GLU 2 CO 0.17 1.39 -0.00 1.25 -1.18 0.00 0.00 179.01 180.64 1sym h LEU 3 N 0.14 -0.00 -1.90 1.64 5.85 -1.98 -2.60 115.31 116.46 1sym h LEU 3 Ca -0.23 -0.92 0.15 0.00 0.84 0.00 0.00 57.88 57.73 1sym h LEU 3 Cb 2.11 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 43.11 1sym h LEU 3 CO 0.26 0.95 0.42 -0.08 -0.34 0.00 0.00 178.44 179.64 1sym h GLU 4 N -0.98 0.10 0.01 1.25 4.22 -1.96 0.25 114.58 117.46 1sym h GLU 4 Ca -0.00 -0.01 -0.04 0.00 0.08 0.00 0.00 59.36 59.39 1sym h GLU 4 Cb 0.92 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 30.15 1sym h GLU 4 CO 0.00 0.06 -0.20 0.87 -2.18 0.00 0.00 179.01 177.56 1sym h LYS 5 N 0.10 0.03 0.28 1.92 1.57 -1.60 -3.07 116.57 115.80 1sym h LYS 5 Ca 0.28 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 59.00 1sym h LYS 5 Cb 0.99 0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.32 1sym h LYS 5 CO -0.03 1.02 -0.13 0.00 -0.57 0.00 0.00 179.45 179.74 1sym h ALA 6 N -0.04 -0.51 -0.45 3.86 0.00 -1.03 -0.11 119.26 120.98 1sym h ALA 6 Ca -0.05 -0.08 0.09 0.00 0.00 0.00 0.00 54.91 54.87 1sym h ALA 6 Cb 1.09 0.15 -0.10 0.00 0.00 0.00 0.00 17.79 18.93 1sym h ALA 6 CO -0.01 -0.48 -0.30 1.98 0.00 0.00 0.00 179.25 180.44 1sym h MET 7 N -0.77 -0.20 0.00 0.00 1.85 -0.75 0.37 114.93 115.44 1sym h MET 7 Ca -0.04 0.01 -0.04 0.00 -0.61 0.00 0.00 59.70 59.02 1sym h MET 7 Cb 0.29 0.04 -0.01 0.00 0.43 0.00 0.00 31.60 32.36 1sym h MET 7 CO 0.06 -0.13 -0.21 0.28 -0.40 0.00 0.00 176.91 176.51 1sym h VAL 8 N -0.20 1.02 -0.18 -5.77 2.07 -1.58 -1.80 116.25 109.80 1sym h VAL 8 Ca 0.20 -0.74 -0.08 0.00 0.82 0.00 0.00 66.70 66.89 1sym h VAL 8 Cb 0.52 1.42 -0.01 0.00 -1.52 0.00 0.00 31.29 31.70 1sym h VAL 8 CO -0.56 0.20 -0.23 0.00 0.02 0.00 0.00 177.57 177.00 1sym h ALA 9 N 1.79 1.27 0.04 1.67 0.00 0.16 -2.83 119.26 121.36 1sym h ALA 9 Ca -0.00 -0.30 -0.00 0.00 0.00 0.00 0.00 54.91 54.60 1sym h ALA 9 Cb 0.40 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1sym h ALA 9 CO 0.03 0.48 -0.02 -0.07 0.00 0.00 0.00 179.25 179.67 1sym h LEU 10 N 0.29 -0.04 -1.89 0.00 3.38 -0.22 0.22 115.31 117.05 1sym h LEU 10 Ca 0.05 -0.03 0.23 0.00 0.09 0.00 0.00 57.88 58.21 1sym h LEU 10 Cb 0.58 0.01 -0.03 0.00 0.09 0.00 0.00 40.66 41.31 1sym h LEU 10 CO 0.04 0.00 0.67 0.40 0.09 0.00 0.00 178.44 179.65 1sym h ILE 11 N -0.08 0.39 -0.11 1.22 2.04 -1.48 0.28 117.51 119.77 1sym h ILE 11 Ca -0.00 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.83 1sym h ILE 11 Cb 0.07 0.50 -0.00 0.00 -0.74 0.00 0.00 36.82 36.64 1sym h ILE 11 CO 0.01 0.00 -0.02 -0.78 0.00 0.00 0.00 178.15 177.36 1sym h ASP 12 N 0.00 0.20 -0.82 1.72 1.82 -0.88 -2.98 116.42 115.49 1sym h ASP 12 Ca 0.37 -0.35 0.20 0.00 -0.39 0.00 0.00 57.03 56.86 1sym h ASP 12 Cb 1.71 -0.05 -0.13 0.00 0.68 0.00 0.00 39.33 41.54 1sym h ASP 12 CO -0.00 0.50 0.20 0.58 -1.61 0.00 0.00 179.24 178.90 1sym h VAL 13 N -0.10 0.40 0.11 2.25 2.07 -0.15 0.32 116.25 121.15 1sym h VAL 13 Ca 0.03 -0.08 0.02 0.00 0.82 0.00 0.00 66.70 67.49 1sym h VAL 13 Cb 0.41 0.15 -0.03 0.00 -1.52 0.00 0.00 31.29 30.29 1sym h VAL 13 CO 0.01 0.04 -0.26 0.15 0.02 0.00 0.00 177.57 177.53 1sym h PHE 14 N 0.23 -0.69 -0.00 1.57 3.57 -1.45 0.23 116.94 120.40 1sym h PHE 14 Ca 0.49 0.02 0.00 0.00 3.53 0.00 0.00 57.97 62.00 1sym h PHE 14 Cb 0.91 0.29 -0.00 0.00 2.79 0.00 0.00 35.95 39.94 1sym h PHE 14 CO -0.28 -0.36 0.02 1.25 -2.23 0.00 0.00 178.31 176.71 1sym h HIS 15 N -0.46 0.00 0.00 0.41 2.76 -0.96 0.12 115.15 117.02 1sym h HIS 15 Ca 0.03 0.00 -0.21 0.00 -2.20 0.00 0.00 60.37 58.00 1sym h HIS 15 Cb 0.49 0.00 -0.03 0.00 1.55 0.00 0.00 27.41 29.42 1sym h HIS 15 CO -0.24 0.00 -0.98 1.96 -1.30 0.00 0.00 177.93 177.36 1sym h GLN 16 N 0.00 0.00 0.00 5.26 1.08 0.12 -3.22 115.11 118.34 1sym h GLN 16 Ca 0.00 -0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1sym h GLN 16 Cb 0.04 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.47 1sym h GLN 16 CO -0.00 0.98 0.00 0.66 -0.95 0.00 0.00 178.83 179.52 1sym n TYR 17 N -3.37 0.00 -0.48 2.96 4.01 0.19 -4.56 117.16 115.92 1sym n TYR 17 Ca -0.00 0.00 0.40 0.00 -0.16 0.00 0.00 57.90 58.14 1sym n TYR 17 Cb 0.93 0.00 0.71 0.00 -0.31 0.00 0.00 39.34 40.67 1sym n TYR 17 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 1sym h SER 18 N 0.00 0.14 -0.77 7.72 0.87 -1.18 0.27 113.55 120.59 1sym h SER 18 Ca 0.00 0.06 -0.41 0.00 -1.23 0.00 0.00 61.79 60.21 1sym h SER 18 Cb 0.00 0.05 -0.15 0.00 -0.44 0.00 0.00 62.40 61.85 1sym h SER 18 CO 0.00 -0.05 0.34 0.61 -0.53 0.00 0.00 176.83 177.19 1sym n GLY 19 N -1.69 4.15 0.49 5.77 0.00 -0.98 -3.83 105.19 109.09 1sym n GLY 19 Ca 0.35 -1.55 0.00 0.00 0.00 0.00 0.00 46.02 44.82 1sym n GLY 19 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1sym n ARG 20 N 0.82 0.00 0.01 1.61 -4.01 0.95 -4.75 116.66 111.29 1sym n ARG 20 Ca 0.42 -0.30 0.00 0.00 -1.04 0.00 0.00 57.85 56.93 1sym n ARG 20 Cb 0.59 -0.15 0.00 0.00 -3.04 0.00 0.00 32.46 29.86 1sym n ARG 20 CO 0.00 0.00 0.00 -1.91 -3.04 0.00 0.00 177.63 172.68 1sym n GLU 21 N 0.00 0.00 0.00 2.89 2.13 -1.25 -5.08 120.64 119.33 1sym n GLU 21 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 1sym n GLU 21 Cb 0.56 -0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.27 1sym n GLU 21 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1sym n GLY 22 N 1.74 -0.75 3.32 8.31 0.00 -1.26 -5.13 105.19 111.41 1sym n GLY 22 Ca 0.00 0.45 -0.32 0.00 0.00 0.00 0.00 46.02 46.15 1sym n GLY 22 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1sym n ASP 23 N 0.00 -2.23 -2.55 1.61 8.00 -1.26 -4.95 116.55 115.16 1sym n ASP 23 Ca 0.00 -0.10 -0.09 0.00 0.71 0.00 0.00 54.79 55.31 1sym n ASP 23 Cb 0.00 -1.03 0.04 0.00 -0.02 0.00 0.00 41.12 40.11 1sym n ASP 23 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1sym n LYS 24 N -2.60 2.38 -0.53 -1.24 4.76 -1.26 -4.58 118.16 115.09 1sym n LYS 24 Ca 0.01 -3.74 -0.02 0.00 -2.87 0.00 0.00 58.31 51.70 1sym n LYS 24 Cb 0.60 -1.84 -0.02 0.00 -1.84 0.00 0.00 35.03 31.94 1sym n LYS 24 CO 0.00 0.00 0.00 1.58 -1.37 0.00 0.00 177.40 177.61 1sym n HIS 25 N -0.63 0.00 -3.74 2.13 -0.00 -1.26 -4.98 115.22 106.74 1sym n HIS 25 Ca 0.20 -0.12 -0.13 0.00 0.46 0.00 0.00 57.72 58.12 1sym n HIS 25 Cb 0.86 0.29 -0.08 0.00 -0.12 0.00 0.00 29.99 30.94 1sym n HIS 25 CO 0.00 0.00 0.00 -1.59 0.46 0.00 0.00 176.34 175.21 1sym s LYS 26 N 0.00 0.75 0.00 1.57 -2.85 -1.26 -4.38 119.74 113.56 1sym s LYS 26 Ca 0.00 -0.25 0.00 0.00 -1.00 0.00 0.00 55.97 54.72 1sym s LYS 26 Cb 0.00 0.33 0.00 0.00 -2.06 0.00 0.00 37.83 36.10 1sym s LYS 26 CO 0.00 -0.22 0.00 -0.11 0.10 0.00 0.00 175.35 175.12 1sym n LEU 27 N 1.02 0.00 -3.76 2.77 7.94 -1.13 -4.78 117.00 119.07 1sym n LEU 27 Ca -0.20 0.00 -0.14 0.00 -1.11 0.00 0.00 56.01 54.56 1sym n LEU 27 Cb 0.57 0.00 -0.14 0.00 0.53 0.00 0.00 43.42 44.38 1sym n LEU 27 CO 0.22 0.00 -0.23 -0.54 -1.11 0.00 0.00 177.39 175.72 1sym s LYS 28 N 1.58 0.09 0.57 1.96 1.02 -1.26 -1.99 119.74 121.70 1sym s LYS 28 Ca 0.00 0.34 0.31 0.00 0.02 0.00 0.00 55.97 56.64 1sym s LYS 28 Cb 0.00 -0.16 1.43 0.00 -0.52 0.00 0.00 37.83 38.58 1sym s LYS 28 CO 0.00 -0.15 1.80 1.57 -0.92 0.00 0.00 175.35 177.65 1sym h LYS 29 N 7.11 0.00 -0.35 1.68 2.10 -1.81 0.30 116.57 125.59 1sym h LYS 29 Ca -0.41 0.00 -0.09 0.00 -2.00 0.00 0.00 60.65 58.14 1sym h LYS 29 Cb 1.15 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.47 1sym h LYS 29 CO 0.43 0.00 -0.15 0.77 -2.00 0.00 0.00 179.45 178.50 1sym h SER 30 N 0.00 0.74 1.19 7.07 0.02 -1.82 -0.08 113.55 120.66 1sym h SER 30 Ca 0.35 -0.39 -0.05 0.00 -0.84 0.00 0.00 61.79 60.86 1sym h SER 30 Cb 1.70 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 64.03 1sym h SER 30 CO -0.00 0.97 -0.22 -0.08 -1.14 0.00 0.00 176.83 176.36 1sym h GLU 31 N 0.51 0.00 -0.04 3.45 4.81 -0.79 -2.66 114.58 119.87 1sym h GLU 31 Ca 0.08 0.00 -0.19 0.00 -0.13 0.00 0.00 59.36 59.12 1sym h GLU 31 Cb 0.68 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.05 1sym h GLU 31 CO 0.05 0.22 -0.81 1.25 -0.73 0.00 0.00 179.01 178.99 1sym h LEU 32 N 0.00 0.42 -0.35 1.64 5.85 -0.80 0.32 115.31 122.38 1sym h LEU 32 Ca -0.00 -0.30 0.00 0.00 0.84 0.00 0.00 57.88 58.42 1sym h LEU 32 Cb 0.87 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.75 1sym h LEU 32 CO 0.03 1.06 0.22 0.50 -0.34 0.00 0.00 178.44 179.91 1sym h LYS 33 N 0.21 0.47 -0.01 1.25 3.64 -0.67 -1.13 116.57 120.34 1sym h LYS 33 Ca -0.04 -0.04 -0.13 0.00 -1.27 0.00 0.00 60.65 59.17 1sym h LYS 33 Cb 1.40 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 33.10 1sym h LYS 33 CO 0.13 0.34 -0.59 1.05 -2.27 0.00 0.00 179.45 178.12 1sym h GLU 34 N 0.47 0.03 -0.96 1.90 -0.00 -1.46 -1.76 114.58 112.80 1sym h GLU 34 Ca 0.13 -0.02 0.07 0.00 -0.00 0.00 0.00 59.36 59.54 1sym h GLU 34 Cb -0.02 0.00 -0.07 0.00 -0.00 0.00 0.00 28.75 28.66 1sym h GLU 34 CO -0.03 0.61 0.61 1.25 -0.00 0.00 0.00 179.01 181.45 1sym h LEU 35 N 0.02 0.96 0.00 3.06 7.12 0.24 0.55 115.31 127.26 1sym h LEU 35 Ca -0.01 0.02 0.00 0.00 0.13 0.00 0.00 57.88 58.02 1sym h LEU 35 Cb 1.04 -0.19 0.00 0.00 -0.53 0.00 0.00 40.66 40.99 1sym h LEU 35 CO 0.08 0.60 -0.08 0.40 -0.13 0.00 0.00 178.44 179.31 1sym h ILE 36 N 1.09 0.00 0.00 4.05 2.04 -1.03 -2.61 117.51 121.05 1sym h ILE 36 Ca 0.43 -0.88 0.00 0.00 1.00 0.00 0.00 64.86 65.41 1sym h ILE 36 Cb 0.22 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.30 1sym h ILE 36 CO -0.19 0.00 0.00 -3.20 0.00 0.00 0.00 178.15 174.76 1sym n ASN 37 N -4.42 0.00 0.00 1.72 2.85 -0.68 -1.52 115.26 113.21 1sym n ASN 37 Ca -0.01 -0.05 0.00 0.00 -0.11 0.00 0.00 54.58 54.41 1sym n ASN 37 Cb 0.04 -0.16 0.00 0.00 1.24 0.00 0.00 39.78 40.90 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 -1.16 0.00 -0.04 1.20 5.15 0.19 -4.49 115.26 116.11 1sym n ASN 38 Ca 0.06 0.00 -0.15 0.00 -0.60 0.00 0.00 54.58 53.89 1sym n ASN 38 Cb 0.06 -0.02 -0.09 0.00 -0.53 0.00 0.00 39.78 39.19 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 0.00 -0.51 0.00 1.20 4.39 -1.43 -3.35 114.58 114.88 1sym h GLU 39 Ca 0.00 0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.73 1sym h GLU 39 Cb 0.00 0.12 0.00 0.00 -0.10 0.00 0.00 28.75 28.77 1sym h GLU 39 CO 0.00 -0.34 0.00 1.28 -1.16 0.00 0.00 179.01 178.79 1sym n LEU 40 N -5.42 0.00 0.00 1.33 4.77 -1.09 -4.78 117.00 111.81 1sym n LEU 40 Ca -0.05 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.93 1sym n LEU 40 Cb 0.37 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.46 1sym n LEU 40 CO 0.07 0.00 0.00 -0.24 -1.33 0.00 0.00 177.39 175.89 1sym n SER 41 N 0.00 -1.12 0.27 -1.43 2.88 -0.57 -4.78 113.62 108.86 1sym n SER 41 Ca 0.00 0.00 0.18 0.00 -1.33 0.00 0.00 58.87 57.72 1sym n SER 41 Cb 0.00 -1.67 0.92 0.00 -0.75 0.00 0.00 64.21 62.70 1sym n SER 41 CO 0.00 0.00 0.00 -0.74 -1.23 0.00 0.00 175.04 173.07 1sym h HIS 42 N 0.00 0.00 -0.09 0.66 6.17 -1.87 -3.43 115.15 116.59 1sym h HIS 42 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 60.37 61.08 1sym h HIS 42 Cb 0.14 0.00 0.00 0.00 2.52 0.00 0.00 27.41 30.07 1sym h HIS 42 CO 0.09 0.00 0.00 1.19 0.71 0.00 0.00 177.93 179.92 1sym n PHE 43 N -2.79 0.00 -2.19 5.26 3.01 -1.26 -5.00 117.46 114.49 1sym n PHE 43 Ca -0.02 0.00 -0.02 0.00 1.01 0.00 0.00 57.45 58.42 1sym n PHE 43 Cb 0.11 0.00 0.01 0.00 -0.01 0.00 0.00 39.48 39.59 1sym n PHE 43 CO 0.00 0.00 0.00 -0.11 1.01 0.00 0.00 176.76 177.66 1sym n LEU 44 N 0.00 -2.25 -0.04 4.37 0.00 -1.26 -5.00 117.00 112.82 1sym n LEU 44 Ca 0.00 -0.08 -0.06 0.00 0.00 0.00 0.00 56.01 55.88 1sym n LEU 44 Cb 0.00 -0.82 -0.02 0.00 0.00 0.00 0.00 43.42 42.58 1sym n LEU 44 CO 0.00 0.05 -0.42 -1.84 0.00 0.00 0.00 177.39 175.18 1sym n GLU 45 N -1.37 0.32 -0.71 1.96 0.00 -1.26 -4.64 120.64 114.94 1sym n GLU 45 Ca -0.03 0.13 -0.01 0.00 0.00 0.00 0.00 57.16 57.24 1sym n GLU 45 Cb 0.52 -1.06 0.21 0.00 0.00 0.00 0.00 31.44 31.11 1sym n GLU 45 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 1sym n GLU 46 N -4.03 1.97 -1.13 3.44 1.02 -1.26 -5.06 120.64 115.60 1sym n GLU 46 Ca -0.09 -3.11 0.00 0.00 -0.02 0.00 0.00 57.16 53.94 1sym n GLU 46 Cb 0.32 -1.80 0.00 0.00 -0.02 0.00 0.00 31.44 29.94 1sym n GLU 46 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 1sym n ILE 47 N -1.04 -3.38 0.00 -3.67 5.41 -1.26 -4.92 119.36 110.50 1sym n ILE 47 Ca 0.30 1.48 0.00 0.00 1.00 0.00 0.00 62.75 65.53 1sym n ILE 47 Cb 0.98 -2.15 0.00 0.00 -0.71 0.00 0.00 39.64 37.76 1sym n ILE 47 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 176.55 176.84 1sym n LYS 48 N -1.41 0.00 -4.00 0.38 5.02 -1.26 -4.80 118.16 112.10 1sym n LYS 48 Ca 0.00 0.29 -0.31 0.00 -2.02 0.00 0.00 58.31 56.27 1sym n LYS 48 Cb 0.12 -0.85 -0.15 0.00 -0.02 0.00 0.00 35.03 34.13 1sym n LYS 48 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 1sym s GLU 49 N -0.78 1.77 0.49 1.97 -6.30 -1.25 -4.34 118.70 110.26 1sym s GLU 49 Ca 0.00 -1.35 0.32 0.00 -2.50 0.00 0.00 54.97 51.44 1sym s GLU 49 Cb 0.00 -2.81 1.43 0.00 0.00 0.00 0.00 34.13 32.74 1sym s GLU 49 CO 0.00 -0.69 1.74 0.37 0.02 0.00 0.00 175.26 176.70 1sym h GLN 50 N 7.81 0.12 0.00 4.30 -0.00 -1.92 0.24 115.11 125.66 1sym h GLN 50 Ca -0.15 -0.01 0.00 0.00 -0.00 0.00 0.00 58.65 58.50 1sym h GLN 50 Cb 1.04 -0.03 0.00 0.00 0.00 0.00 0.00 27.48 28.50 1sym h GLN 50 CO 0.46 0.08 -0.07 1.49 0.00 0.00 0.00 178.83 180.79 1sym h GLU 51 N 0.12 0.00 0.38 1.69 4.81 -1.96 -2.71 114.58 116.92 1sym h GLU 51 Ca 0.65 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.87 1sym h GLU 51 Cb 2.25 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 31.60 1sym h GLU 51 CO -0.15 0.00 -0.50 0.28 -0.73 0.00 0.00 179.01 177.91 1sym h VAL 52 N -0.62 0.00 -0.30 0.32 2.07 -1.78 0.56 116.25 116.50 1sym h VAL 52 Ca 0.00 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.61 1sym h VAL 52 Cb 0.07 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 29.83 1sym h VAL 52 CO 0.00 0.00 0.34 0.58 0.02 0.00 0.00 177.57 178.51 1sym h VAL 53 N -0.91 0.40 -0.38 2.57 2.07 -0.75 0.08 116.25 119.33 1sym h VAL 53 Ca -0.05 0.00 -0.14 0.00 0.82 0.00 0.00 66.70 67.33 1sym h VAL 53 Cb 0.82 0.72 -0.01 0.00 -1.52 0.00 0.00 31.29 31.30 1sym h VAL 53 CO -0.13 0.00 -0.34 0.44 0.02 0.00 0.00 177.57 177.57 1sym h ASP 54 N 0.00 0.91 -0.04 0.57 5.19 -0.56 -0.33 116.42 122.15 1sym h ASP 54 Ca 0.14 -0.39 -0.01 0.00 -0.62 0.00 0.00 57.03 56.15 1sym h ASP 54 Cb 0.83 -0.25 -0.00 0.00 0.18 0.00 0.00 39.33 40.09 1sym h ASP 54 CO -0.00 1.16 -0.03 0.50 -3.12 0.00 0.00 179.24 177.75 1sym h LYS 55 N 0.72 0.10 -0.10 3.56 3.64 -0.34 0.20 116.57 124.34 1sym h LYS 55 Ca 0.07 -0.05 -0.08 0.00 -1.27 0.00 0.00 60.65 59.32 1sym h LYS 55 Cb 0.90 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.72 1sym h LYS 55 CO 0.08 0.51 -0.26 -0.39 -2.27 0.00 0.00 179.45 177.12 1sym h VAL 56 N -0.32 1.39 0.00 2.00 -1.51 -1.58 -2.15 116.25 114.09 1sym h VAL 56 Ca 0.01 -1.58 -0.03 0.00 -1.23 0.00 0.00 66.70 63.87 1sym h VAL 56 Cb 0.49 2.15 -0.00 0.00 -2.13 0.00 0.00 31.29 31.80 1sym h VAL 56 CO 0.01 0.46 -0.12 -0.03 -1.23 0.00 0.00 177.57 176.66 1sym h MET 57 N -0.08 0.00 0.13 5.19 1.85 -1.12 -0.47 114.93 120.42 1sym h MET 57 Ca -0.00 0.00 -0.01 0.00 -0.61 0.00 0.00 59.70 59.08 1sym h MET 57 Cb 0.87 0.00 0.00 0.00 0.43 0.00 0.00 31.60 32.90 1sym h MET 57 CO 0.06 0.12 -0.06 0.93 -0.40 0.00 0.00 176.91 177.56 1sym h GLU 58 N 0.00 -0.16 0.00 0.39 5.08 -0.41 -1.70 114.58 117.77 1sym h GLU 58 Ca -0.00 0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.37 1sym h GLU 58 Cb 0.35 0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.63 1sym h GLU 58 CO 0.02 0.22 -0.00 1.15 -1.00 0.00 0.00 179.01 179.40 1sym h THR 59 N -0.96 0.80 0.38 1.13 2.02 -1.29 0.51 112.91 115.50 1sym h THR 59 Ca -0.02 -0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.14 1sym h THR 59 Cb 0.46 1.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.87 1sym h THR 59 CO 0.03 0.00 -0.18 -0.07 0.37 0.00 0.00 175.52 175.67 1sym h LEU 60 N 0.00 -0.43 -0.01 2.58 3.38 -1.07 -2.86 115.31 116.90 1sym h LEU 60 Ca -0.00 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 57.84 1sym h LEU 60 Cb 0.00 0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.86 1sym h LEU 60 CO 0.00 -0.07 -0.00 -0.67 0.09 0.00 0.00 178.44 177.79 1sym n ASP 61 N -5.18 0.02 0.08 -0.43 -0.08 -0.64 -2.03 116.55 108.29 1sym n ASP 61 Ca -0.10 -0.91 -0.22 0.00 -1.51 0.00 0.00 54.79 52.05 1sym n ASP 61 Cb 0.28 -0.03 -0.12 0.00 2.34 0.00 0.00 41.12 43.59 1sym n ASP 61 CO 0.00 0.00 0.00 -0.08 0.12 0.00 0.00 177.20 177.24 1sym h GLU 62 N 0.03 0.64 0.00 -0.67 4.81 0.24 -3.44 114.58 116.19 1sym h GLU 62 Ca 0.00 -0.82 0.00 0.00 -0.13 0.00 0.00 59.36 58.41 1sym h GLU 62 Cb 0.04 0.26 0.00 0.00 0.63 0.00 0.00 28.75 29.68 1sym h GLU 62 CO 0.00 1.37 -0.08 -3.47 -0.73 0.00 0.00 179.01 176.10 1sym n ASP 63 N -3.80 0.09 -0.66 1.04 2.03 -1.20 -5.00 116.55 109.06 1sym n ASP 63 Ca -0.13 0.00 -0.08 0.00 0.52 0.00 0.00 54.79 55.10 1sym n ASP 63 Cb 0.97 0.00 -0.04 0.00 -0.72 0.00 0.00 41.12 41.33 1sym n ASP 63 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1sym n GLY 64 N 1.63 0.79 0.01 0.27 0.00 -0.86 -4.67 105.19 102.37 1sym n GLY 64 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -0.97 0.57 -4.91 1.61 2.03 -1.26 -3.95 116.55 109.67 1sym n ASP 65 Ca -0.08 -1.32 -0.28 0.00 0.52 0.00 0.00 54.79 53.64 1sym n ASP 65 Cb 0.55 -0.01 -0.02 0.00 -0.72 0.00 0.00 41.12 40.92 1sym n ASP 65 CO 0.00 0.00 0.00 -0.83 -1.92 0.00 0.00 177.20 174.45 1sym s GLY 66 N -0.32 1.66 -0.03 0.27 0.00 -1.26 -4.98 107.32 102.66 1sym s GLY 66 Ca 0.00 -0.53 -0.19 0.00 0.00 0.00 0.00 44.72 44.00 1sym s GLY 66 CO 0.00 -0.40 0.55 -0.54 0.00 0.00 0.00 173.10 172.71 1sym s GLU 67 N -4.15 4.28 0.55 2.90 2.02 -1.26 -2.54 118.70 120.49 1sym s GLU 67 Ca 0.46 0.64 0.05 0.00 0.02 0.00 0.00 54.97 56.14 1sym s GLU 67 Cb -0.10 -3.35 0.04 0.00 0.10 0.00 0.00 34.13 30.82 1sym s GLU 67 CO 0.36 0.35 0.41 0.00 0.02 0.00 0.00 175.26 176.41 1sym s ASP 69 N -4.29 4.19 0.12 0.00 1.11 -1.26 -2.84 116.67 113.69 1sym s ASP 69 Ca 0.34 -1.52 -0.12 0.00 0.18 0.00 0.00 52.55 51.42 1sym s ASP 69 Cb -0.02 0.31 -0.08 0.00 1.07 0.00 0.00 42.92 44.20 1sym s ASP 69 CO 0.21 -0.81 1.42 0.15 1.18 0.00 0.00 175.17 177.32 1sym h PHE 70 N 1.33 1.05 0.00 4.23 3.57 -1.96 -1.72 116.94 123.43 1sym h PHE 70 Ca -0.43 -0.35 -0.09 0.00 3.53 0.00 0.00 57.97 60.63 1sym h PHE 70 Cb 1.30 -0.21 -0.01 0.00 2.79 0.00 0.00 35.95 39.82 1sym h PHE 70 CO 1.28 1.16 -0.43 1.96 -2.23 0.00 0.00 178.31 180.05 1sym h GLN 71 N 0.63 0.00 0.24 1.11 1.08 -1.96 -2.06 115.11 114.15 1sym h GLN 71 Ca 0.03 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.22 1sym h GLN 71 Cb 1.05 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.48 1sym h GLN 71 CO 0.10 0.43 -0.11 0.93 -0.95 0.00 0.00 178.83 179.23 1sym h GLU 72 N 0.00 -0.31 -0.34 1.46 4.39 -1.92 -1.75 114.58 116.11 1sym h GLU 72 Ca -0.00 0.02 0.10 0.00 0.34 0.00 0.00 59.36 59.82 1sym h GLU 72 Cb 0.91 0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 29.62 1sym h GLU 72 CO 0.06 -0.21 0.42 0.35 -1.16 0.00 0.00 179.01 178.47 1sym h PHE 73 N -0.96 0.00 0.13 4.33 3.04 -1.38 1.00 116.94 123.09 1sym h PHE 73 Ca -0.03 0.00 -0.01 0.00 3.98 0.00 0.00 57.97 61.91 1sym h PHE 73 Cb 0.25 0.00 0.00 0.00 2.56 0.00 0.00 35.95 38.76 1sym h PHE 73 CO 0.01 0.00 -0.06 1.98 -2.02 0.00 0.00 178.31 178.22 1sym h MET 74 N 0.00 -0.16 0.00 1.11 4.05 -1.34 -2.43 114.93 116.16 1sym h MET 74 Ca 0.16 0.01 0.00 0.00 -0.28 0.00 0.00 59.70 59.59 1sym h MET 74 Cb 0.99 0.04 0.00 0.00 -0.80 0.00 0.00 31.60 31.83 1sym h MET 74 CO -0.00 0.14 0.00 0.00 0.23 0.00 0.00 176.91 177.27 1sym n ALA 75 N -2.69 1.28 -0.05 0.39 0.00 -0.66 -2.25 120.51 116.52 1sym n ALA 75 Ca -0.05 0.09 -0.16 0.00 0.00 0.00 0.00 53.44 53.32 1sym n ALA 75 Cb 0.19 -1.25 -0.13 0.00 0.00 0.00 0.00 19.45 18.25 1sym n ALA 75 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.50 178.24 1sym h PHE 76 N 0.00 0.11 0.00 0.00 -1.00 -0.80 -3.08 116.94 112.16 1sym h PHE 76 Ca 0.00 -0.08 -0.04 0.00 2.81 0.00 0.00 57.97 60.67 1sym h PHE 76 Cb 0.13 -0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.68 1sym h PHE 76 CO 0.00 1.13 -0.17 0.28 -1.61 0.00 0.00 178.31 177.94 1sym h VAL 77 N -0.87 0.81 0.15 -0.55 2.07 -0.98 -3.02 116.25 113.87 1sym h VAL 77 Ca -0.08 -0.66 -0.01 0.00 0.82 0.00 0.00 66.70 66.78 1sym h VAL 77 Cb 1.17 1.39 0.00 0.00 -1.52 0.00 0.00 31.29 32.33 1sym h VAL 77 CO 0.00 0.17 -0.07 0.28 0.02 0.00 0.00 177.57 177.97 1sym h SER 78 N 0.00 -0.17 -0.98 0.57 0.02 -1.56 -2.14 113.55 109.29 1sym h SER 78 Ca -0.00 -0.36 0.17 0.00 -0.84 0.00 0.00 61.79 60.75 1sym h SER 78 Cb 0.38 0.04 -0.10 0.00 0.14 0.00 0.00 62.40 62.86 1sym h SER 78 CO 0.02 0.40 0.59 0.00 -1.14 0.00 0.00 176.83 176.70 1sym h MET 79 N -0.87 0.77 -0.14 3.45 3.00 -1.48 0.38 114.93 120.05 1sym h MET 79 Ca -0.02 -0.05 -0.21 0.00 0.00 0.00 0.00 59.70 59.42 1sym h MET 79 Cb 0.53 -0.17 0.01 0.00 0.00 0.00 0.00 31.60 31.96 1sym h MET 79 CO 0.03 0.51 -0.75 -0.39 0.00 0.00 0.00 176.91 176.32 1sym h VAL 80 N 0.79 1.29 0.00 -0.10 -1.51 -1.59 0.93 116.25 116.06 1sym h VAL 80 Ca 0.55 -1.96 0.00 0.00 -1.23 0.00 0.00 66.70 64.06 1sym h VAL 80 Cb 0.78 2.03 0.00 0.00 -2.13 0.00 0.00 31.29 31.97 1sym h VAL 80 CO -0.36 0.62 0.00 0.74 -1.23 0.00 0.00 177.57 177.34 1sym h THR 81 N 0.47 0.00 0.00 7.19 2.02 -0.54 -2.74 112.91 119.30 1sym h THR 81 Ca -0.05 -0.23 -0.07 0.00 0.77 0.00 0.00 66.41 66.83 1sym h THR 81 Cb 1.38 1.00 -0.15 0.00 -1.74 0.00 0.00 68.15 68.63 1sym h THR 81 CO 0.15 0.00 -0.64 1.07 0.37 0.00 0.00 175.52 176.47 1sym n THR 82 N -2.51 0.83 0.29 3.16 5.66 0.01 -4.81 114.28 116.92 1sym n THR 82 Ca 0.01 -1.55 0.15 0.00 -3.05 0.00 0.00 64.05 59.61 1sym n THR 82 Cb 0.19 0.40 0.75 0.00 -1.55 0.00 0.00 70.33 70.13 1sym n THR 82 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1sym h ALA 83 N 0.65 1.52 0.00 1.79 0.00 0.12 -3.47 119.26 119.87 1sym h ALA 83 Ca -0.09 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1sym h ALA 83 Cb 1.44 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.23 1sym h ALA 83 CO 0.04 -0.44 0.00 0.00 0.00 0.00 0.00 179.25 178.85 1sym n HIS 85 N 0.00 0.00 -2.52 0.00 -0.00 -1.26 -3.83 115.22 107.61 1sym n HIS 85 Ca 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 57.72 57.68 1sym n HIS 85 Cb 0.00 -1.42 -0.03 0.00 -0.00 0.00 0.00 29.99 28.53 1sym n HIS 85 CO 0.00 0.00 0.00 -1.91 -0.00 0.00 0.00 176.34 174.43 1sym n GLU 86 N -0.49 -4.83 0.00 1.57 4.07 -1.26 -4.89 120.64 114.81 1sym n GLU 86 Ca 0.00 3.59 0.00 0.00 -0.06 0.00 0.00 57.16 60.69 1sym n GLU 86 Cb 0.01 -5.00 0.00 0.00 -0.06 0.00 0.00 31.44 26.39 1sym n GLU 86 CO 0.00 0.00 0.00 1.97 -0.06 0.00 0.00 177.13 179.04 1sym n PHE 87 N 1.76 0.00 -2.89 4.31 -1.74 -1.26 -4.95 117.46 112.68 1sym n PHE 87 Ca -0.31 0.00 -0.16 0.00 -0.56 0.00 0.00 57.45 56.43 1sym n PHE 87 Cb 0.47 0.00 -0.01 0.00 1.52 0.00 0.00 39.48 41.47 1sym n PHE 87 CO 0.00 0.00 0.00 1.19 -0.56 0.00 0.00 176.76 177.39 1sym n PHE 88 N 0.00 -1.66 0.00 2.97 3.01 -1.26 -4.71 117.46 115.81 1sym n PHE 88 Ca 0.00 0.21 0.00 0.00 1.01 0.00 0.00 57.45 58.67 1sym n PHE 88 Cb 0.00 -2.50 0.00 0.00 -0.01 0.00 0.00 39.48 36.97 1sym n PHE 88 CO 0.00 0.00 0.00 -1.91 1.01 0.00 0.00 176.76 175.86 1sym n GLU 89 N -3.16 0.65 -1.19 -1.08 4.07 -1.26 -4.99 120.64 113.67 1sym n GLU 89 Ca -0.06 0.00 -0.09 0.00 -0.06 0.00 0.00 57.16 56.95 1sym n GLU 89 Cb 0.56 -0.84 -0.04 0.00 -0.06 0.00 0.00 31.44 31.06 1sym n GLU 89 CO 0.00 0.00 0.00 -2.39 -0.06 0.00 0.00 177.13 174.68 1sym n HIS 90 N -2.03 -0.06 0.00 4.31 1.44 -1.26 -5.32 115.22 112.31 1sym n HIS 90 Ca 0.00 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.71 1sym n HIS 90 Cb 0.34 -2.48 0.00 0.00 0.12 0.00 0.00 29.99 27.97 1sym n HIS 90 CO 0.00 0.00 0.00 -0.85 -2.81 0.00 0.00 176.34 172.68