#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 4.37 0.11 6.12 1.04 -1.26 -5.04 113.70 119.04 1sym s SER 1 Ca 0.00 -1.28 0.05 0.00 0.48 0.00 0.00 55.95 55.21 1sym s SER 1 Cb 0.00 -0.02 -0.22 0.00 0.10 0.00 0.00 66.02 65.88 1sym s SER 1 CO 0.00 -0.75 1.25 -0.08 0.98 0.00 0.00 173.24 174.65 1sym h GLU 2 N 1.27 0.04 0.00 4.02 4.57 -2.04 -3.13 114.58 119.31 1sym h GLU 2 Ca -0.42 -0.07 -0.01 0.00 -1.18 0.00 0.00 59.36 57.69 1sym h GLU 2 Cb 1.28 0.03 -0.00 0.00 -0.16 0.00 0.00 28.75 29.89 1sym h GLU 2 CO 0.69 1.03 -0.04 1.25 -1.18 0.00 0.00 179.01 180.76 1sym h LEU 3 N 0.01 0.00 -0.21 1.64 5.85 -1.97 -2.70 115.31 117.93 1sym h LEU 3 Ca -0.03 -0.66 0.05 0.00 0.84 0.00 0.00 57.88 58.07 1sym h LEU 3 Cb 1.80 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 42.78 1sym h LEU 3 CO 0.14 0.85 -0.14 -0.08 -0.34 0.00 0.00 178.44 178.88 1sym h GLU 4 N -1.00 -0.12 -0.32 1.25 4.81 -1.98 0.39 114.58 117.60 1sym h GLU 4 Ca -0.01 0.01 -0.05 0.00 -0.13 0.00 0.00 59.36 59.18 1sym h GLU 4 Cb 0.69 0.03 -0.02 0.00 0.63 0.00 0.00 28.75 30.08 1sym h GLU 4 CO -0.01 -0.08 -0.03 0.87 -0.73 0.00 0.00 179.01 179.03 1sym h LYS 5 N -0.13 0.50 0.00 1.92 1.79 -1.69 -1.65 116.57 117.31 1sym h LYS 5 Ca 0.12 -0.11 0.00 0.00 -2.18 0.00 0.00 60.65 58.48 1sym h LYS 5 Cb 0.31 -0.07 0.00 0.00 -1.58 0.00 0.00 32.23 30.89 1sym h LYS 5 CO -0.29 0.56 0.00 0.00 -1.08 0.00 0.00 179.45 178.63 1sym n ALA 6 N -2.48 0.00 -0.29 3.86 0.00 -0.57 -1.78 120.51 119.25 1sym n ALA 6 Ca 0.01 -0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.49 1sym n ALA 6 Cb 0.26 0.00 0.12 0.00 0.00 0.00 0.00 19.45 19.83 1sym n ALA 6 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 177.50 179.48 1sym h MET 7 N 0.00 0.01 -0.26 0.00 1.85 -0.40 0.60 114.93 116.73 1sym h MET 7 Ca 0.00 -0.00 -0.09 0.00 -0.61 0.00 0.00 59.70 59.00 1sym h MET 7 Cb 0.00 -0.00 -0.01 0.00 0.43 0.00 0.00 31.60 32.01 1sym h MET 7 CO 0.00 0.01 -0.23 0.28 -0.40 0.00 0.00 176.91 176.56 1sym h VAL 8 N 0.01 1.26 -0.91 -5.77 2.07 -1.40 -2.69 116.25 108.82 1sym h VAL 8 Ca 0.41 -1.23 0.05 0.00 0.82 0.00 0.00 66.70 66.75 1sym h VAL 8 Cb 0.65 1.32 -0.06 0.00 -1.52 0.00 0.00 31.29 31.68 1sym h VAL 8 CO -0.84 0.39 0.58 0.00 0.02 0.00 0.00 177.57 177.73 1sym h ALA 9 N 1.32 1.24 0.12 1.67 0.00 0.99 -2.05 119.26 122.55 1sym h ALA 9 Ca 0.07 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 54.96 1sym h ALA 9 Cb 0.64 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 1sym h ALA 9 CO 0.05 0.39 -0.19 -0.07 0.00 0.00 0.00 179.25 179.42 1sym h LEU 10 N 1.09 -0.54 -1.95 0.00 3.38 -0.98 0.17 115.31 116.49 1sym h LEU 10 Ca 0.38 0.06 0.26 0.00 0.09 0.00 0.00 57.88 58.67 1sym h LEU 10 Cb 0.10 0.20 -0.04 0.00 0.09 0.00 0.00 40.66 41.01 1sym h LEU 10 CO -0.15 -0.28 0.70 0.40 0.09 0.00 0.00 178.44 179.20 1sym h ILE 11 N -0.38 0.45 -0.03 1.22 5.03 -1.34 0.26 117.51 122.73 1sym h ILE 11 Ca 0.02 0.00 -0.00 0.00 -0.12 0.00 0.00 64.86 64.76 1sym h ILE 11 Cb 0.39 0.50 -0.00 0.00 -3.03 0.00 0.00 36.82 34.68 1sym h ILE 11 CO -0.10 0.00 0.01 -0.78 -0.68 0.00 0.00 178.15 176.60 1sym h ASP 12 N 0.00 0.04 -1.01 1.72 3.58 -0.17 -2.38 116.42 118.20 1sym h ASP 12 Ca 0.42 -0.19 0.24 0.00 0.42 0.00 0.00 57.03 57.93 1sym h ASP 12 Cb 1.81 -0.01 -0.10 0.00 1.72 0.00 0.00 39.33 42.76 1sym h ASP 12 CO -0.00 0.21 0.64 0.58 -2.88 0.00 0.00 179.24 177.78 1sym h VAL 13 N -0.14 0.59 -0.82 2.25 2.07 -0.13 0.28 116.25 120.34 1sym h VAL 13 Ca 0.01 -0.17 0.00 0.00 0.82 0.00 0.00 66.70 67.36 1sym h VAL 13 Cb 0.19 0.04 -0.04 0.00 -1.52 0.00 0.00 31.29 29.96 1sym h VAL 13 CO -0.00 0.09 0.52 0.15 0.02 0.00 0.00 177.57 178.36 1sym h PHE 14 N 0.51 1.06 0.00 1.57 3.04 -1.28 -0.42 116.94 121.41 1sym h PHE 14 Ca 0.58 0.01 0.00 0.00 3.98 0.00 0.00 57.97 62.54 1sym h PHE 14 Cb 1.28 -0.35 0.00 0.00 2.56 0.00 0.00 35.95 39.44 1sym h PHE 14 CO -0.00 0.68 0.00 1.25 -2.02 0.00 0.00 178.31 178.22 1sym h HIS 15 N 1.12 0.00 0.02 0.41 2.76 -0.32 0.21 115.15 119.35 1sym h HIS 15 Ca 0.30 0.00 -0.00 0.00 -2.20 0.00 0.00 60.37 58.47 1sym h HIS 15 Cb -0.09 0.00 0.00 0.00 1.55 0.00 0.00 27.41 28.87 1sym h HIS 15 CO -0.01 0.00 -0.01 0.37 -1.30 0.00 0.00 177.93 176.98 1sym h GLN 16 N 0.00 -0.02 0.01 5.26 5.75 -0.45 -3.29 115.11 122.37 1sym h GLN 16 Ca 0.00 0.00 -0.00 0.00 -0.15 0.00 0.00 58.65 58.50 1sym h GLN 16 Cb 0.48 0.01 0.00 0.00 1.07 0.00 0.00 27.48 29.03 1sym h GLN 16 CO 0.00 0.52 -0.01 1.88 -2.65 0.00 0.00 178.83 178.58 1sym h TYR 17 N -0.98 -0.02 -0.61 3.99 -1.99 -1.34 -3.27 116.97 112.75 1sym h TYR 17 Ca -0.00 -0.00 -0.72 0.00 2.00 0.00 0.00 58.73 60.01 1sym h TYR 17 Cb 0.56 0.01 -0.06 0.00 2.00 0.00 0.00 36.73 39.23 1sym h TYR 17 CO 0.15 0.48 2.95 0.45 -0.00 0.00 0.00 178.16 182.19 1sym n SER 18 N -4.71 6.96 0.00 3.88 2.88 0.73 -3.46 113.62 119.90 1sym n SER 18 Ca -0.05 -2.89 0.00 0.00 -1.33 0.00 0.00 58.87 54.59 1sym n SER 18 Cb 0.24 -1.50 0.00 0.00 -0.75 0.00 0.00 64.21 62.20 1sym n SER 18 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1sym n GLY 19 N 2.97 0.09 0.03 0.46 0.00 -1.24 -4.09 105.19 103.41 1sym n GLY 19 Ca 0.62 -0.08 0.11 0.00 0.00 0.00 0.00 46.02 46.67 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 -1.31 0.28 0.00 1.61 1.85 -1.23 -4.92 116.66 112.94 1sym n ARG 20 Ca 0.00 -0.01 0.00 0.00 -1.00 0.00 0.00 57.85 56.84 1sym n ARG 20 Cb 0.00 -1.59 0.00 0.00 -1.05 0.00 0.00 32.46 29.82 1sym n ARG 20 CO 0.00 0.00 0.00 -1.91 -0.01 0.00 0.00 177.63 175.71 1sym n GLU 21 N -1.95 2.34 0.22 2.89 2.13 -1.22 -5.03 120.64 120.03 1sym n GLU 21 Ca 0.02 0.00 -0.09 0.00 0.66 0.00 0.00 57.16 57.74 1sym n GLU 21 Cb 0.43 0.00 -0.04 0.00 0.27 0.00 0.00 31.44 32.10 1sym n GLU 21 CO 0.00 0.00 0.00 0.78 -0.41 0.00 0.00 177.13 177.50 1sym h GLY 22 N 0.00 -0.64 0.00 8.31 0.00 -1.91 -3.45 103.07 105.38 1sym h GLY 22 Ca 0.00 0.24 0.00 0.00 0.00 0.00 0.00 47.33 47.57 1sym h GLY 22 CO 0.00 -0.23 0.00 1.22 0.00 0.00 0.00 176.54 177.53 1sym n ASP 23 N -4.79 -1.51 0.00 0.19 9.92 -1.26 -4.95 116.55 114.15 1sym n ASP 23 Ca -0.08 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.18 1sym n ASP 23 Cb 0.24 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.72 1sym n ASP 23 CO 0.00 0.00 0.00 1.17 0.13 0.00 0.00 177.20 178.50 1sym n LYS 24 N -1.51 0.00 -0.10 -1.24 4.81 -1.26 -4.02 118.16 114.84 1sym n LYS 24 Ca 0.00 0.00 0.08 0.00 -0.87 0.00 0.00 58.31 57.52 1sym n LYS 24 Cb 0.00 0.00 0.28 0.00 0.02 0.00 0.00 35.03 35.33 1sym n LYS 24 CO 0.00 0.00 0.00 1.58 1.17 0.00 0.00 177.40 180.15 1sym n HIS 25 N -1.70 0.28 -4.36 5.64 -0.00 -1.26 -4.20 115.22 109.62 1sym n HIS 25 Ca 0.00 -0.14 -0.21 0.00 -0.00 0.00 0.00 57.72 57.37 1sym n HIS 25 Cb 0.00 0.00 -0.16 0.00 -0.00 0.00 0.00 29.99 29.83 1sym n HIS 25 CO 0.00 0.00 0.00 -1.59 -0.00 0.00 0.00 176.34 174.75 1sym s LYS 26 N -1.72 1.11 0.00 1.57 -2.85 -1.26 -4.37 119.74 112.21 1sym s LYS 26 Ca 0.26 -0.26 0.00 0.00 -1.00 0.00 0.00 55.97 54.98 1sym s LYS 26 Cb 0.14 -1.01 0.00 0.00 -2.06 0.00 0.00 37.83 34.90 1sym s LYS 26 CO 0.20 0.02 0.00 -0.11 0.10 0.00 0.00 175.35 175.56 1sym n LEU 27 N 3.72 0.00 -3.88 2.77 0.00 -1.16 -4.78 117.00 113.67 1sym n LEU 27 Ca -0.22 0.00 -0.09 0.00 0.00 0.00 0.00 56.01 55.69 1sym n LEU 27 Cb 0.52 0.00 -0.06 0.00 0.00 0.00 0.00 43.42 43.88 1sym n LEU 27 CO 0.24 0.00 0.05 -0.54 0.00 0.00 0.00 177.39 177.14 1sym s LYS 28 N 2.57 1.16 0.31 1.96 1.02 -1.26 -1.69 119.74 123.80 1sym s LYS 28 Ca 0.00 -1.05 0.16 0.00 0.02 0.00 0.00 55.97 55.10 1sym s LYS 28 Cb 0.00 0.41 0.35 0.00 -0.52 0.00 0.00 37.83 38.07 1sym s LYS 28 CO 0.00 -0.44 1.58 0.87 -0.92 0.00 0.00 175.35 176.44 1sym h LYS 29 N 2.48 0.00 0.14 1.68 1.57 -1.58 0.17 116.57 121.03 1sym h LYS 29 Ca -0.31 0.00 -0.28 0.00 -1.87 0.00 0.00 60.65 58.18 1sym h LYS 29 Cb 1.23 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.55 1sym h LYS 29 CO 0.47 0.51 -1.27 1.03 -0.57 0.00 0.00 179.45 179.62 1sym h SER 30 N 0.00 0.47 1.38 0.86 0.87 0.44 -1.09 113.55 116.48 1sym h SER 30 Ca -0.01 -0.50 0.00 0.00 -1.23 0.00 0.00 61.79 60.05 1sym h SER 30 Cb 1.18 -0.15 0.00 0.00 -0.44 0.00 0.00 62.40 62.98 1sym h SER 30 CO 0.07 1.39 -0.52 -0.08 -0.53 0.00 0.00 176.83 177.16 1sym h GLU 31 N 0.08 0.00 0.23 2.24 4.81 -1.79 -3.12 114.58 117.02 1sym h GLU 31 Ca -0.15 0.00 -0.33 0.00 -0.13 0.00 0.00 59.36 58.76 1sym h GLU 31 Cb 1.99 0.00 0.03 0.00 0.63 0.00 0.00 28.75 31.40 1sym h GLU 31 CO 0.21 0.00 -1.46 1.25 -0.73 0.00 0.00 179.01 178.28 1sym h LEU 32 N 0.00 0.75 -1.18 1.64 5.85 -0.66 -0.89 115.31 120.82 1sym h LEU 32 Ca 0.00 -0.82 0.02 0.00 0.84 0.00 0.00 57.88 57.92 1sym h LEU 32 Cb 0.95 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 41.69 1sym h LEU 32 CO 0.00 1.65 0.56 0.50 -0.34 0.00 0.00 178.44 180.80 1sym h LYS 33 N 0.13 1.07 0.12 1.25 3.64 -1.23 -1.56 116.57 119.99 1sym h LYS 33 Ca -0.24 -0.06 -0.29 0.00 -1.27 0.00 0.00 60.65 58.79 1sym h LYS 33 Cb 2.13 -0.24 0.03 0.00 -0.41 0.00 0.00 32.23 33.74 1sym h LYS 33 CO 0.26 0.71 -1.20 1.05 -2.27 0.00 0.00 179.45 177.99 1sym h GLU 34 N 1.10 0.60 -0.69 1.90 4.11 -1.56 -1.45 114.58 118.58 1sym h GLU 34 Ca 0.32 -0.81 0.14 0.00 0.07 0.00 0.00 59.36 59.08 1sym h GLU 34 Cb -0.06 0.27 -0.10 0.00 0.50 0.00 0.00 28.75 29.36 1sym h GLU 34 CO -0.08 1.37 0.19 1.25 0.07 0.00 0.00 179.01 181.80 1sym h LEU 35 N 0.22 0.07 0.00 3.06 7.12 -0.49 0.59 115.31 125.88 1sym h LEU 35 Ca -0.18 0.13 -0.01 0.00 0.13 0.00 0.00 57.88 57.94 1sym h LEU 35 Cb 1.88 0.15 -0.00 0.00 -0.53 0.00 0.00 40.66 42.17 1sym h LEU 35 CO 0.23 0.01 -0.07 0.40 -0.13 0.00 0.00 178.44 178.89 1sym h ILE 36 N 0.31 1.19 0.00 4.05 2.04 -1.36 -2.70 117.51 121.04 1sym h ILE 36 Ca 0.38 -1.92 0.00 0.00 1.00 0.00 0.00 64.86 64.32 1sym h ILE 36 Cb 0.60 2.28 0.00 0.00 -0.74 0.00 0.00 36.82 38.96 1sym h ILE 36 CO -0.45 0.40 0.00 -3.20 0.00 0.00 0.00 178.15 174.91 1sym n ASN 37 N -4.65 0.00 -0.04 1.72 2.85 -0.55 -0.17 115.26 114.42 1sym n ASN 37 Ca -0.08 -0.13 -0.09 0.00 -0.11 0.00 0.00 54.58 54.18 1sym n ASN 37 Cb 0.34 -0.10 -0.03 0.00 1.24 0.00 0.00 39.78 41.23 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 -1.10 1.41 -1.72 1.20 5.15 0.20 -4.26 115.26 116.15 1sym n ASN 38 Ca 0.06 0.23 -0.10 0.00 -0.60 0.00 0.00 54.58 54.17 1sym n ASN 38 Cb 0.05 -0.52 0.23 0.00 -0.53 0.00 0.00 39.78 39.00 1sym n ASN 38 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 1sym n GLU 39 N -3.92 2.61 0.00 1.20 1.02 -1.02 -4.49 120.64 116.04 1sym n GLU 39 Ca -0.15 -3.07 0.00 0.00 -0.02 0.00 0.00 57.16 53.92 1sym n GLU 39 Cb 0.42 -2.05 0.00 0.00 -0.02 0.00 0.00 31.44 29.79 1sym n GLU 39 CO 0.00 0.00 0.00 -0.11 1.18 0.00 0.00 177.13 178.20 1sym n LEU 40 N -0.80 0.00 0.00 -4.62 7.94 0.46 -4.84 117.00 115.14 1sym n LEU 40 Ca 0.43 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.33 1sym n LEU 40 Cb 1.33 0.00 0.01 0.00 0.53 0.00 0.00 43.42 45.29 1sym n LEU 40 CO 0.39 0.00 0.50 -0.24 -1.11 0.00 0.00 177.39 176.94 1sym n SER 41 N -0.60 0.01 0.32 1.96 2.88 0.76 -1.78 113.62 117.17 1sym n SER 41 Ca 0.00 0.48 0.19 0.00 -1.33 0.00 0.00 58.87 58.21 1sym n SER 41 Cb 0.00 -0.48 1.07 0.00 -0.75 0.00 0.00 64.21 64.04 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 0.00 0.66 6.17 -1.85 0.23 115.15 120.36 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 0.04 0.00 0.00 0.00 2.52 0.00 0.00 27.41 29.97 1sym h HIS 42 CO 0.00 0.00 -1.10 1.19 0.71 0.00 0.00 177.93 178.73 1sym n PHE 43 N -3.47 0.17 -1.96 5.26 3.72 -0.73 -4.91 117.46 115.53 1sym n PHE 43 Ca -0.03 0.05 -0.42 0.00 -0.05 0.00 0.00 57.45 57.00 1sym n PHE 43 Cb 0.08 -0.34 -0.03 0.00 -0.94 0.00 0.00 39.48 38.25 1sym n PHE 43 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 1sym s LEU 44 N -3.75 4.37 0.00 4.37 2.01 0.07 -4.46 118.68 121.29 1sym s LEU 44 Ca 0.04 2.63 0.00 0.00 0.01 0.00 0.00 54.13 56.80 1sym s LEU 44 Cb 0.15 -3.60 0.00 0.00 0.01 0.00 0.00 46.19 42.75 1sym s LEU 44 CO 0.82 -0.79 0.00 -1.84 1.01 0.00 0.00 176.35 175.55 1sym n GLU 45 N 3.49 0.00 0.00 1.70 0.28 -1.26 -5.00 120.64 119.84 1sym n GLU 45 Ca 0.12 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.12 1sym n GLU 45 Cb 0.39 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.26 1sym n GLU 45 CO 0.00 0.00 0.00 -0.85 -0.16 0.00 0.00 177.13 176.12 1sym n GLU 46 N -0.32 0.00 -1.31 3.44 0.28 -1.26 -5.14 120.64 116.33 1sym n GLU 46 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.00 1sym n GLU 46 Cb 0.00 -0.67 0.00 0.00 1.43 0.00 0.00 31.44 32.20 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 -2.77 -6.86 -0.07 3.84 5.41 -1.26 -4.99 119.36 112.65 1sym n ILE 47 Ca 0.00 1.89 -0.11 0.00 1.00 0.00 0.00 62.75 65.53 1sym n ILE 47 Cb 0.47 -3.45 -0.07 0.00 -0.71 0.00 0.00 39.64 35.88 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 0.71 0.36 -3.33 0.38 5.02 -1.21 -4.80 118.16 115.30 1sym n LYS 48 Ca 0.00 0.09 -0.46 0.00 -2.02 0.00 0.00 58.31 55.92 1sym n LYS 48 Cb 0.00 -1.27 -0.02 0.00 -0.02 0.00 0.00 35.03 33.73 1sym n LYS 48 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1sym s GLU 49 N -2.29 3.76 0.61 1.97 0.41 -1.26 -4.86 118.70 117.04 1sym s GLU 49 Ca -0.20 -2.65 0.33 0.00 -0.41 0.00 0.00 54.97 52.04 1sym s GLU 49 Cb 0.05 -4.47 1.97 0.00 -1.78 0.00 0.00 34.13 29.91 1sym s GLU 49 CO 0.33 -1.28 2.29 0.37 -0.49 0.00 0.00 175.26 176.47 1sym h GLN 50 N 7.50 0.00 0.14 1.61 5.75 -1.96 -1.50 115.11 126.64 1sym h GLN 50 Ca 0.13 0.00 -0.28 0.00 -0.15 0.00 0.00 58.65 58.35 1sym h GLN 50 Cb 1.00 0.00 0.01 0.00 1.07 0.00 0.00 27.48 29.55 1sym h GLN 50 CO 0.82 0.00 -1.27 0.93 -2.65 0.00 0.00 178.83 176.66 1sym h GLU 51 N 0.00 0.29 0.21 1.69 5.08 -1.96 -1.28 114.58 118.62 1sym h GLU 51 Ca 0.00 -0.49 -0.01 0.00 -1.00 0.00 0.00 59.36 57.86 1sym h GLU 51 Cb 0.00 0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.44 1sym h GLU 51 CO -0.00 1.23 -0.10 0.28 -1.00 0.00 0.00 179.01 179.42 1sym h VAL 52 N 0.08 0.85 -0.03 3.13 2.07 -1.66 0.21 116.25 120.90 1sym h VAL 52 Ca -0.15 -0.78 -0.11 0.00 0.82 0.00 0.00 66.70 66.49 1sym h VAL 52 Cb 1.99 1.28 -0.01 0.00 -1.52 0.00 0.00 31.29 33.03 1sym h VAL 52 CO 0.21 0.16 -0.48 0.58 0.02 0.00 0.00 177.57 178.06 1sym h VAL 53 N -0.71 1.34 0.00 2.57 2.07 -1.57 -1.87 116.25 118.08 1sym h VAL 53 Ca -0.03 -1.66 -0.04 0.00 0.82 0.00 0.00 66.70 65.80 1sym h VAL 53 Cb 0.49 1.86 -0.01 0.00 -1.52 0.00 0.00 31.29 32.11 1sym h VAL 53 CO 0.05 0.48 -0.17 -0.78 0.02 0.00 0.00 177.57 177.17 1sym h ASP 54 N 0.05 0.00 0.00 0.57 3.58 -1.19 -1.05 116.42 118.39 1sym h ASP 54 Ca 0.00 0.00 -0.02 0.00 0.42 0.00 0.00 57.03 57.43 1sym h ASP 54 Cb 0.87 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.91 1sym h ASP 54 CO 0.07 0.17 -0.10 0.11 -2.88 0.00 0.00 179.24 176.61 1sym h LYS 55 N 0.00 0.00 -0.14 0.28 1.57 -0.06 -1.99 116.57 116.23 1sym h LYS 55 Ca -0.00 -0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.72 1sym h LYS 55 Cb 0.97 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.28 1sym h LYS 55 CO 0.02 1.00 -0.13 -0.39 -0.57 0.00 0.00 179.45 179.38 1sym h VAL 56 N -1.00 1.34 0.00 0.50 -1.51 -1.42 -1.83 116.25 112.33 1sym h VAL 56 Ca -0.03 -1.28 -0.01 0.00 -1.23 0.00 0.00 66.70 64.15 1sym h VAL 56 Cb 1.03 1.87 -0.00 0.00 -2.13 0.00 0.00 31.29 32.05 1sym h VAL 56 CO -0.02 0.37 -0.07 -0.03 -1.23 0.00 0.00 177.57 176.60 1sym h MET 57 N -0.03 0.00 0.21 5.19 1.85 -1.34 -0.29 114.93 120.52 1sym h MET 57 Ca 0.02 0.00 -0.01 0.00 -0.61 0.00 0.00 59.70 59.10 1sym h MET 57 Cb 0.65 0.00 0.00 0.00 0.43 0.00 0.00 31.60 32.68 1sym h MET 57 CO 0.03 0.07 -0.10 0.93 -0.40 0.00 0.00 176.91 177.44 1sym h GLU 58 N 0.00 -0.27 0.00 0.39 5.08 -0.95 -1.69 114.58 117.14 1sym h GLU 58 Ca -0.00 0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.37 1sym h GLU 58 Cb 0.22 0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.53 1sym h GLU 58 CO 0.01 0.02 -0.02 1.15 -1.00 0.00 0.00 179.01 179.17 1sym h THR 59 N -1.00 0.41 0.18 1.13 2.02 -1.16 0.11 112.91 114.60 1sym h THR 59 Ca -0.03 -0.08 -0.01 0.00 0.77 0.00 0.00 66.41 67.06 1sym h THR 59 Cb 0.41 1.05 0.00 0.00 -1.74 0.00 0.00 68.15 67.88 1sym h THR 59 CO 0.05 0.02 -0.09 -0.07 0.37 0.00 0.00 175.52 175.80 1sym h LEU 60 N 0.00 -0.20 -0.02 2.58 3.38 -1.00 -3.07 115.31 116.97 1sym h LEU 60 Ca -0.00 -0.32 0.00 0.00 0.09 0.00 0.00 57.88 57.65 1sym h LEU 60 Cb 0.05 0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.85 1sym h LEU 60 CO 0.00 0.28 0.00 -0.67 0.09 0.00 0.00 178.44 178.14 1sym n ASP 61 N -4.98 0.05 0.02 -0.43 -0.08 -0.64 -1.60 116.55 108.89 1sym n ASP 61 Ca -0.08 0.51 -0.12 0.00 -1.51 0.00 0.00 54.79 53.59 1sym n ASP 61 Cb 0.26 -0.52 -0.09 0.00 2.34 0.00 0.00 41.12 43.11 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 0.00 -0.13 -1.47 -0.67 4.22 -0.72 -3.40 114.58 112.42 1sym h GLU 62 Ca 0.00 0.01 -0.42 0.00 0.08 0.00 0.00 59.36 59.03 1sym h GLU 62 Cb 0.40 0.03 -0.40 0.00 0.50 0.00 0.00 28.75 29.28 1sym h GLU 62 CO 0.00 0.38 -1.19 -3.47 -2.18 0.00 0.00 179.01 172.55 1sym n ASP 63 N -4.87 1.23 -0.50 1.04 2.03 -1.17 -4.92 116.55 109.38 1sym n ASP 63 Ca -0.08 -2.86 0.43 0.00 0.52 0.00 0.00 54.79 52.79 1sym n ASP 63 Cb 0.28 -0.57 0.67 0.00 -0.72 0.00 0.00 41.12 40.79 1sym n ASP 63 CO 0.00 0.00 0.00 1.23 -1.92 0.00 0.00 177.20 176.51 1sym h GLY 64 N 3.00 0.00 -3.47 0.27 0.00 -1.52 0.89 103.07 102.23 1sym h GLY 64 Ca -0.00 0.00 -0.32 0.00 0.00 0.00 0.00 47.33 47.00 1sym h GLY 64 CO 0.51 0.00 0.42 1.34 0.00 0.00 0.00 176.54 178.81 1sym n ASP 65 N -3.66 6.45 -2.30 0.19 2.03 -1.26 0.11 116.55 118.09 1sym n ASP 65 Ca 0.36 -3.07 -0.03 0.00 0.52 0.00 0.00 54.79 52.57 1sym n ASP 65 Cb 1.81 -1.05 0.00 0.00 -0.72 0.00 0.00 41.12 41.16 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 0.34 2.96 3.19 0.27 0.00 0.31 -4.97 105.19 107.29 1sym n GLY 66 Ca 0.30 -2.18 -0.27 0.00 0.00 0.00 0.00 46.02 43.87 1sym n GLY 66 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1sym s GLU 67 N -2.24 1.84 0.45 1.61 -1.05 -1.26 -3.11 118.70 114.95 1sym s GLU 67 Ca 0.03 -0.70 0.07 0.00 -0.15 0.00 0.00 54.97 54.23 1sym s GLU 67 Cb -0.00 -1.66 -0.00 0.00 -0.44 0.00 0.00 34.13 32.02 1sym s GLU 67 CO 0.02 0.34 0.39 0.00 0.95 0.00 0.00 175.26 176.96 1sym n ASP 69 N -1.60 2.08 0.07 0.00 8.00 -1.26 -2.98 116.55 120.85 1sym n ASP 69 Ca 0.03 -2.08 -0.22 0.00 0.71 0.00 0.00 54.79 53.23 1sym n ASP 69 Cb 0.63 0.01 -0.12 0.00 -0.02 0.00 0.00 41.12 41.61 1sym n ASP 69 CO 0.00 0.00 0.00 2.19 -0.39 0.00 0.00 177.20 179.00 1sym h PHE 70 N 0.66 1.04 0.00 1.24 -5.15 -1.99 -1.70 116.94 111.05 1sym h PHE 70 Ca -0.20 -0.62 -0.14 0.00 -0.20 0.00 0.00 57.97 56.82 1sym h PHE 70 Cb 0.71 -0.10 -0.02 0.00 0.22 0.00 0.00 35.95 36.76 1sym h PHE 70 CO 0.00 1.46 -0.65 -0.56 -2.00 0.00 0.00 178.31 176.56 1sym h GLN 71 N 0.33 0.00 0.08 6.09 -0.00 -1.96 -2.89 115.11 116.76 1sym h GLN 71 Ca -0.17 0.00 -0.00 0.00 -0.00 0.00 0.00 58.65 58.48 1sym h GLN 71 Cb 1.83 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 29.31 1sym h GLN 71 CO 0.23 0.65 -0.04 0.93 -0.00 0.00 0.00 178.83 180.59 1sym h GLU 72 N 0.00 -0.11 0.00 0.06 5.08 -1.95 -1.89 114.58 115.77 1sym h GLU 72 Ca -0.01 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1sym h GLU 72 Cb 1.49 0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.77 1sym h GLU 72 CO 0.08 0.36 0.08 0.35 -1.00 0.00 0.00 179.01 178.88 1sym h PHE 73 N -0.94 0.00 0.00 4.33 3.57 -1.42 0.12 116.94 122.59 1sym h PHE 73 Ca -0.01 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.49 1sym h PHE 73 Cb 0.52 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.26 1sym h PHE 73 CO 0.11 0.00 -0.00 1.98 -2.23 0.00 0.00 178.31 178.17 1sym h MET 74 N 0.00 -0.00 0.00 1.11 4.05 -1.42 -2.84 114.93 115.82 1sym h MET 74 Ca 0.00 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.42 1sym h MET 74 Cb 0.15 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 30.95 1sym h MET 74 CO 0.00 -0.00 0.00 0.00 0.23 0.00 0.00 176.91 177.14 1sym n ALA 75 N -2.48 1.17 0.04 0.39 0.00 -0.72 -1.68 120.51 117.23 1sym n ALA 75 Ca -0.00 0.11 -0.19 0.00 0.00 0.00 0.00 53.44 53.35 1sym n ALA 75 Cb 0.00 -1.23 -0.14 0.00 0.00 0.00 0.00 19.45 18.08 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 0.53 0.00 0.00 0.04 -0.83 -1.75 116.94 114.93 1sym h PHE 76 Ca 0.00 -0.37 -0.08 0.00 2.80 0.00 0.00 57.97 60.32 1sym h PHE 76 Cb 0.07 -0.03 -0.01 0.00 2.20 0.00 0.00 35.95 38.18 1sym h PHE 76 CO 0.00 1.26 -0.39 0.28 -0.60 0.00 0.00 178.31 178.87 1sym h VAL 77 N -0.35 1.04 0.01 -0.55 2.07 -1.06 -3.13 116.25 114.27 1sym h VAL 77 Ca -0.12 -1.45 -0.00 0.00 0.82 0.00 0.00 66.70 65.95 1sym h VAL 77 Cb 1.55 1.84 0.00 0.00 -1.52 0.00 0.00 31.29 33.16 1sym h VAL 77 CO 0.14 0.38 -0.01 0.28 0.02 0.00 0.00 177.57 178.38 1sym h SER 78 N 0.00 -0.01 -1.03 0.57 0.02 -1.44 -2.62 113.55 109.03 1sym h SER 78 Ca -0.00 -0.78 0.30 0.00 -0.84 0.00 0.00 61.79 60.47 1sym h SER 78 Cb 0.81 0.00 -0.13 0.00 0.14 0.00 0.00 62.40 63.22 1sym h SER 78 CO 0.05 0.85 0.61 0.24 -1.14 0.00 0.00 176.83 177.44 1sym h MET 79 N -0.95 0.37 0.01 3.45 2.07 -1.33 0.20 114.93 118.75 1sym h MET 79 Ca -0.00 -0.02 -0.04 0.00 -2.07 0.00 0.00 59.70 57.56 1sym h MET 79 Cb 0.79 -0.08 0.00 0.00 -1.87 0.00 0.00 31.60 30.44 1sym h MET 79 CO 0.00 0.25 -0.18 -0.39 1.07 0.00 0.00 176.91 177.66 1sym h VAL 80 N 0.39 1.61 0.00 -2.22 -1.51 -1.62 -1.12 116.25 111.78 1sym h VAL 80 Ca 0.70 -2.04 0.00 0.00 -1.23 0.00 0.00 66.70 64.13 1sym h VAL 80 Cb 1.60 2.95 0.00 0.00 -2.13 0.00 0.00 31.29 33.71 1sym h VAL 80 CO -0.52 0.55 0.00 0.41 -1.23 0.00 0.00 177.57 176.77 1sym n THR 81 N -4.55 1.47 -0.12 7.19 -1.04 -0.36 -2.00 114.28 114.87 1sym n THR 81 Ca -0.10 0.41 -0.16 0.00 -2.04 0.00 0.00 64.05 62.17 1sym n THR 81 Cb 0.49 -1.32 -0.13 0.00 -1.82 0.00 0.00 70.33 67.55 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 -1.62 1.47 0.00 12.58 -2.24 0.57 -4.32 114.28 120.72 1sym n THR 82 Ca 0.01 -0.66 0.00 0.00 -2.27 0.00 0.00 64.05 61.14 1sym n THR 82 Cb 0.08 -1.16 0.00 0.00 -2.10 0.00 0.00 70.33 67.15 1sym n THR 82 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1sym n ALA 83 N -3.10 -0.05 -3.19 6.98 0.00 -0.43 -4.52 120.51 116.20 1sym n ALA 83 Ca -0.42 0.00 -0.46 0.00 0.00 0.00 0.00 53.44 52.57 1sym n ALA 83 Cb 1.04 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 20.47 1sym n ALA 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1sym s HIS 85 N 0.75 -0.21 -0.22 0.00 5.04 -1.26 -4.33 115.29 115.07 1sym s HIS 85 Ca 0.25 -0.11 -0.03 0.00 -1.54 0.00 0.00 55.06 53.63 1sym s HIS 85 Cb -0.08 0.41 -0.01 0.00 0.04 0.00 0.00 32.58 32.93 1sym s HIS 85 CO -0.08 -0.87 2.76 -1.91 -2.34 0.00 0.00 174.74 172.29 1sym n GLU 86 N -0.33 1.94 -0.34 2.88 2.13 -1.26 -4.58 120.64 121.09 1sym n GLU 86 Ca -0.12 -1.43 0.06 0.00 0.66 0.00 0.00 57.16 56.33 1sym n GLU 86 Cb 0.63 -1.82 0.22 0.00 0.27 0.00 0.00 31.44 30.74 1sym n GLU 86 CO 0.00 0.00 0.00 0.35 -0.41 0.00 0.00 177.13 177.07 1sym h PHE 87 N 2.38 1.03 -0.49 4.31 3.04 -1.85 -3.28 116.94 122.08 1sym h PHE 87 Ca 0.25 0.03 -0.26 0.00 3.98 0.00 0.00 57.97 61.97 1sym h PHE 87 Cb 1.04 -0.32 -0.35 0.00 2.56 0.00 0.00 35.95 38.88 1sym h PHE 87 CO 1.24 0.39 -0.98 1.19 -2.02 0.00 0.00 178.31 178.13 1sym n PHE 88 N -4.68 0.56 -0.05 0.41 3.72 -1.26 -4.77 117.46 111.39 1sym n PHE 88 Ca 0.17 -2.23 -0.07 0.00 -0.05 0.00 0.00 57.45 55.28 1sym n PHE 88 Cb 0.35 0.09 -0.05 0.00 -0.94 0.00 0.00 39.48 38.93 1sym n PHE 88 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 176.76 174.80 1sym n GLU 89 N -0.60 0.41 -1.96 -1.08 2.13 -1.23 -4.92 120.64 113.39 1sym n GLU 89 Ca 0.04 0.05 -0.01 0.00 0.66 0.00 0.00 57.16 57.90 1sym n GLU 89 Cb 0.82 -1.19 0.05 0.00 0.27 0.00 0.00 31.44 31.39 1sym n GLU 89 CO 0.00 0.00 0.00 0.72 -0.41 0.00 0.00 177.13 177.44 1sym n HIS 90 N -2.75 -0.83 -0.79 4.31 8.25 -1.26 -5.14 115.22 117.01 1sym n HIS 90 Ca -0.17 -0.69 0.00 0.00 -0.26 0.00 0.00 57.72 56.60 1sym n HIS 90 Cb 0.69 0.96 0.00 0.00 1.12 0.00 0.00 29.99 32.75 1sym n HIS 90 CO 0.00 0.00 0.00 -1.91 0.64 0.00 0.00 176.34 175.07