#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 3.53 0.05 6.12 0.15 -1.26 -5.04 113.70 117.26 1sym s SER 1 Ca 0.00 -1.33 -0.09 0.00 0.70 0.00 0.00 55.95 55.23 1sym s SER 1 Cb 0.00 -0.32 -0.32 0.00 -1.71 0.00 0.00 66.02 63.67 1sym s SER 1 CO 0.00 -0.42 1.07 -0.08 1.20 0.00 0.00 173.24 175.01 1sym h GLU 2 N 1.91 0.39 0.01 5.44 4.57 -2.05 -2.99 114.58 121.86 1sym h GLU 2 Ca -0.43 -0.67 -0.00 0.00 -1.18 0.00 0.00 59.36 57.08 1sym h GLU 2 Cb 1.24 0.25 0.00 0.00 -0.16 0.00 0.00 28.75 30.08 1sym h GLU 2 CO 0.76 1.32 -0.01 1.25 -1.18 0.00 0.00 179.01 181.15 1sym h LEU 3 N 0.11 -0.01 -0.27 1.64 5.85 -1.99 -3.11 115.31 117.52 1sym h LEU 3 Ca -0.19 -0.79 0.06 0.00 0.84 0.00 0.00 57.88 57.80 1sym h LEU 3 Cb 2.06 0.00 -0.06 0.00 0.37 0.00 0.00 40.66 43.03 1sym h LEU 3 CO 0.23 0.83 -0.13 -0.08 -0.34 0.00 0.00 178.44 178.96 1sym h GLU 4 N -0.91 -0.09 -0.63 1.25 4.81 -1.99 0.81 114.58 117.82 1sym h GLU 4 Ca -0.00 0.01 0.07 0.00 -0.13 0.00 0.00 59.36 59.30 1sym h GLU 4 Cb 0.80 0.02 -0.04 0.00 0.63 0.00 0.00 28.75 30.17 1sym h GLU 4 CO 0.00 -0.06 0.42 0.87 -0.73 0.00 0.00 179.01 179.51 1sym h LYS 5 N -0.10 0.58 0.00 1.92 1.57 -1.65 0.82 116.57 119.72 1sym h LYS 5 Ca 0.14 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.89 1sym h LYS 5 Cb 0.31 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.49 1sym h LYS 5 CO -0.33 0.38 0.00 0.00 -0.57 0.00 0.00 179.45 178.93 1sym n ALA 6 N -2.48 0.00 -0.09 3.86 0.00 -0.40 -2.05 120.51 119.36 1sym n ALA 6 Ca 0.09 -0.01 -0.08 0.00 0.00 0.00 0.00 53.44 53.45 1sym n ALA 6 Cb 0.26 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.69 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 -0.24 0.00 0.00 1.85 -0.97 0.27 114.93 115.85 1sym h MET 7 Ca 0.00 0.02 -0.02 0.00 -0.61 0.00 0.00 59.70 59.09 1sym h MET 7 Cb 0.00 0.05 -0.00 0.00 0.43 0.00 0.00 31.60 32.08 1sym h MET 7 CO 0.00 -0.16 -0.08 0.28 -0.40 0.00 0.00 176.91 176.55 1sym h VAL 8 N -0.25 0.88 -0.39 -5.77 2.07 -0.97 -2.15 116.25 109.67 1sym h VAL 8 Ca 0.16 -0.29 -0.06 0.00 0.82 0.00 0.00 66.70 67.32 1sym h VAL 8 Cb 0.50 1.17 -0.01 0.00 -1.52 0.00 0.00 31.29 31.42 1sym h VAL 8 CO -0.47 0.08 -0.00 0.00 0.02 0.00 0.00 177.57 177.20 1sym h ALA 9 N 1.92 0.53 -0.78 1.67 0.00 0.10 -2.75 119.26 119.95 1sym h ALA 9 Ca -0.00 -0.26 0.14 0.00 0.00 0.00 0.00 54.91 54.80 1sym h ALA 9 Cb 0.16 -0.14 -0.10 0.00 0.00 0.00 0.00 17.79 17.71 1sym h ALA 9 CO 0.01 0.31 0.33 -0.07 0.00 0.00 0.00 179.25 179.83 1sym h LEU 10 N 0.52 0.33 -0.87 0.00 3.38 -0.59 0.34 115.31 118.41 1sym h LEU 10 Ca 0.11 0.11 0.14 0.00 0.09 0.00 0.00 57.88 58.32 1sym h LEU 10 Cb 0.48 0.07 -0.09 0.00 0.09 0.00 0.00 40.66 41.21 1sym h LEU 10 CO 0.02 0.13 0.48 0.40 0.09 0.00 0.00 178.44 179.56 1sym h ILE 11 N 0.48 0.79 0.15 1.22 2.04 -1.46 -1.62 117.51 119.11 1sym h ILE 11 Ca 0.43 -0.25 0.02 0.00 1.00 0.00 0.00 64.86 66.06 1sym h ILE 11 Cb 0.64 0.01 -0.04 0.00 -0.74 0.00 0.00 36.82 36.70 1sym h ILE 11 CO -0.40 0.13 -0.33 -0.78 0.00 0.00 0.00 178.15 176.78 1sym h ASP 12 N 0.72 -0.93 -1.52 1.72 1.82 -0.26 0.18 116.42 118.14 1sym h ASP 12 Ca 0.46 0.10 0.46 0.00 -0.39 0.00 0.00 57.03 57.66 1sym h ASP 12 Cb 0.59 0.35 -0.09 0.00 0.68 0.00 0.00 39.33 40.86 1sym h ASP 12 CO -0.33 -0.42 1.05 0.58 -1.61 0.00 0.00 179.24 178.52 1sym h VAL 13 N -0.57 0.17 0.05 2.25 2.07 -1.00 -1.49 116.25 117.73 1sym h VAL 13 Ca 0.02 -0.02 -0.00 0.00 0.82 0.00 0.00 66.70 67.52 1sym h VAL 13 Cb 0.59 0.11 0.00 0.00 -1.52 0.00 0.00 31.29 30.47 1sym h VAL 13 CO -0.17 0.01 -0.02 0.15 0.02 0.00 0.00 177.57 177.55 1sym h PHE 14 N 0.05 -0.06 -0.64 1.57 3.57 -0.83 -1.68 116.94 118.93 1sym h PHE 14 Ca 0.79 -0.00 0.19 0.00 3.53 0.00 0.00 57.97 62.48 1sym h PHE 14 Cb 2.88 0.02 -0.03 0.00 2.79 0.00 0.00 35.95 41.62 1sym h PHE 14 CO -0.00 -0.04 0.85 1.25 -2.23 0.00 0.00 178.31 178.14 1sym h HIS 15 N -0.08 0.00 0.07 0.41 2.76 -1.23 0.20 115.15 117.28 1sym h HIS 15 Ca -0.01 0.00 -0.00 0.00 -2.20 0.00 0.00 60.37 58.16 1sym h HIS 15 Cb 0.05 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.01 1sym h HIS 15 CO 0.18 0.00 -0.04 0.37 -1.30 0.00 0.00 177.93 177.14 1sym h GLN 16 N 0.00 -0.09 -0.76 5.26 5.75 -1.11 -3.24 115.11 120.92 1sym h GLN 16 Ca 0.30 0.01 0.00 0.00 -0.15 0.00 0.00 58.65 58.81 1sym h GLN 16 Cb 1.99 0.02 0.00 0.00 1.07 0.00 0.00 27.48 30.57 1sym h GLN 16 CO -0.00 0.47 0.00 0.66 -2.65 0.00 0.00 178.83 177.31 1sym n TYR 17 N -4.82 1.17 -0.08 3.99 4.02 0.42 -3.91 117.16 117.95 1sym n TYR 17 Ca -0.08 -0.41 -0.09 0.00 -0.01 0.00 0.00 57.90 57.32 1sym n TYR 17 Cb 0.30 -0.33 -0.12 0.00 -0.02 0.00 0.00 39.34 39.17 1sym n TYR 17 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 1sym n SER 18 N 0.36 1.24 0.09 7.72 2.88 0.40 -4.43 113.62 121.87 1sym n SER 18 Ca 0.16 -0.01 -0.07 0.00 -1.33 0.00 0.00 58.87 57.61 1sym n SER 18 Cb 0.78 0.74 0.04 0.00 -0.75 0.00 0.00 64.21 65.02 1sym n SER 18 CO 0.00 0.00 0.00 1.23 -1.23 0.00 0.00 175.04 175.04 1sym h GLY 19 N 2.95 0.20 0.04 0.46 0.00 -1.67 -3.34 103.07 101.70 1sym h GLY 19 Ca -0.43 -0.31 -0.00 0.00 0.00 0.00 0.00 47.33 46.58 1sym h GLY 19 CO 0.01 0.28 -0.03 3.21 0.00 0.00 0.00 176.54 180.01 1sym h ARG 20 N 0.11 -0.07 0.00 4.80 3.08 -1.78 -3.47 114.38 117.05 1sym h ARG 20 Ca -0.03 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.03 1sym h ARG 20 Cb 1.38 0.02 0.00 0.00 0.08 0.00 0.00 29.97 31.44 1sym h ARG 20 CO 0.12 -0.05 0.00 0.39 -1.07 0.00 0.00 179.97 179.36 1sym n GLU 21 N -2.42 2.67 -0.82 0.04 1.02 -1.25 -5.08 120.64 114.80 1sym n GLU 21 Ca -0.01 0.00 0.11 0.00 -0.02 0.00 0.00 57.16 57.24 1sym n GLU 21 Cb 0.03 0.00 -0.03 0.00 -0.02 0.00 0.00 31.44 31.43 1sym n GLU 21 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1sym n GLY 22 N 4.34 -1.07 0.00 0.62 0.00 -1.26 -4.69 105.19 103.13 1sym n GLY 22 Ca 0.00 -0.61 0.00 0.00 0.00 0.00 0.00 46.02 45.41 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 -4.37 0.00 -0.85 1.61 9.92 -1.25 -4.86 116.55 116.76 1sym n ASP 23 Ca 0.00 0.00 0.11 0.00 -0.53 0.00 0.00 54.79 54.37 1sym n ASP 23 Cb 0.59 0.00 0.28 0.00 -0.64 0.00 0.00 41.12 41.36 1sym n ASP 23 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 1sym n LYS 24 N 0.00 2.11 -1.06 -1.24 4.76 -1.26 -4.18 118.16 117.28 1sym n LYS 24 Ca 0.00 -1.68 -0.02 0.00 -2.87 0.00 0.00 58.31 53.74 1sym n LYS 24 Cb 0.00 -1.44 -0.03 0.00 -1.84 0.00 0.00 35.03 31.72 1sym n LYS 24 CO 0.00 0.00 0.00 0.72 -1.37 0.00 0.00 177.40 176.75 1sym n HIS 25 N 0.90 0.00 -3.82 2.13 8.25 -1.26 -4.87 115.22 116.54 1sym n HIS 25 Ca 0.17 -0.40 -0.13 0.00 -0.26 0.00 0.00 57.72 57.11 1sym n HIS 25 Cb 0.46 0.22 -0.13 0.00 1.12 0.00 0.00 29.99 31.65 1sym n HIS 25 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 1sym s LYS 26 N 0.00 0.11 0.00 -0.41 -0.14 -1.26 -4.70 119.74 113.34 1sym s LYS 26 Ca 0.11 0.17 0.00 0.00 -1.36 0.00 0.00 55.97 54.89 1sym s LYS 26 Cb 0.12 0.01 0.00 0.00 -1.68 0.00 0.00 37.83 36.29 1sym s LYS 26 CO -0.05 -0.04 0.00 1.28 -0.76 0.00 0.00 175.35 175.77 1sym n LEU 27 N 3.23 0.00 -3.96 3.17 7.99 -0.50 -3.81 117.00 123.13 1sym n LEU 27 Ca -0.15 0.00 -0.09 0.00 -0.01 0.00 0.00 56.01 55.76 1sym n LEU 27 Cb 0.58 0.00 -0.06 0.00 -0.11 0.00 0.00 43.42 43.83 1sym n LEU 27 CO 0.22 0.00 0.11 -0.54 -1.51 0.00 0.00 177.39 175.67 1sym s LYS 28 N 2.38 1.37 0.18 3.23 -0.14 -1.26 -1.22 119.74 124.28 1sym s LYS 28 Ca 0.00 -1.18 0.05 0.00 -1.36 0.00 0.00 55.97 53.48 1sym s LYS 28 Cb 0.00 0.44 0.03 0.00 -1.68 0.00 0.00 37.83 36.62 1sym s LYS 28 CO 0.00 -0.55 1.41 -0.22 -0.76 0.00 0.00 175.35 175.23 1sym h LYS 29 N 2.36 0.10 0.00 1.68 3.11 -1.55 0.14 116.57 122.42 1sym h LYS 29 Ca -0.29 -0.11 -0.15 0.00 -2.81 0.00 0.00 60.65 57.28 1sym h LYS 29 Cb 1.24 0.03 -0.02 0.00 -1.00 0.00 0.00 32.23 32.49 1sym h LYS 29 CO 0.41 0.89 -0.73 0.77 -2.81 0.00 0.00 179.45 177.97 1sym h SER 30 N 0.06 0.00 0.91 4.20 0.02 -1.89 -0.95 113.55 115.90 1sym h SER 30 Ca -0.03 0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 60.86 1sym h SER 30 Cb 1.47 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 64.00 1sym h SER 30 CO 0.12 0.73 -1.13 -0.08 -1.14 0.00 0.00 176.83 175.34 1sym h GLU 31 N 0.00 0.00 0.18 3.45 4.57 -1.94 -3.12 114.58 117.72 1sym h GLU 31 Ca -0.01 0.00 -0.32 0.00 -1.18 0.00 0.00 59.36 57.86 1sym h GLU 31 Cb 1.52 0.00 0.02 0.00 -0.16 0.00 0.00 28.75 30.13 1sym h GLU 31 CO 0.10 0.11 -1.47 1.25 -1.18 0.00 0.00 179.01 177.82 1sym h LEU 32 N 0.00 0.60 -1.23 1.64 5.85 -0.70 -0.75 115.31 120.71 1sym h LEU 32 Ca -0.06 -0.71 -0.06 0.00 0.84 0.00 0.00 57.88 57.89 1sym h LEU 32 Cb 1.21 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 42.03 1sym h LEU 32 CO 0.02 1.57 -0.17 0.50 -0.34 0.00 0.00 178.44 180.01 1sym h LYS 33 N 0.10 0.32 0.23 1.25 3.64 -1.27 -2.36 116.57 118.48 1sym h LYS 33 Ca -0.23 -0.09 -0.33 0.00 -1.27 0.00 0.00 60.65 58.73 1sym h LYS 33 Cb 2.07 -0.04 0.03 0.00 -0.41 0.00 0.00 32.23 33.89 1sym h LYS 33 CO 0.22 0.49 -1.47 1.05 -2.27 0.00 0.00 179.45 177.46 1sym h GLU 34 N 0.30 0.48 -0.43 1.90 4.11 -1.57 -0.36 114.58 119.01 1sym h GLU 34 Ca 0.05 -0.83 0.09 0.00 0.07 0.00 0.00 59.36 58.75 1sym h GLU 34 Cb 0.48 0.31 -0.09 0.00 0.50 0.00 0.00 28.75 29.94 1sym h GLU 34 CO 0.03 1.39 -0.20 1.25 0.07 0.00 0.00 179.01 181.56 1sym h LEU 35 N 0.13 -0.68 0.00 3.06 7.12 -0.72 1.06 115.31 125.29 1sym h LEU 35 Ca -0.25 0.16 -0.00 0.00 0.13 0.00 0.00 57.88 57.92 1sym h LEU 35 Cb 2.13 0.37 -0.00 0.00 -0.53 0.00 0.00 40.66 42.64 1sym h LEU 35 CO 0.26 -0.23 -0.01 0.40 -0.13 0.00 0.00 178.44 178.73 1sym h ILE 36 N -0.11 1.35 0.00 4.05 2.04 -1.52 -3.18 117.51 120.14 1sym h ILE 36 Ca 0.21 -2.02 0.00 0.00 1.00 0.00 0.00 64.86 64.05 1sym h ILE 36 Cb 0.43 2.56 0.00 0.00 -0.74 0.00 0.00 36.82 39.07 1sym h ILE 36 CO -0.50 0.46 0.00 -3.20 0.00 0.00 0.00 178.15 174.91 1sym n ASN 37 N -4.65 0.00 -0.13 1.72 2.85 -0.14 0.90 115.26 115.80 1sym n ASN 37 Ca -0.08 -0.19 -0.23 0.00 -0.11 0.00 0.00 54.58 53.98 1sym n ASN 37 Cb 0.36 -0.06 -0.11 0.00 1.24 0.00 0.00 39.78 41.21 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 -1.06 1.97 -0.02 1.20 5.15 0.37 -4.37 115.26 118.51 1sym n ASN 38 Ca 0.06 0.05 -0.02 0.00 -0.60 0.00 0.00 54.58 54.07 1sym n ASN 38 Cb 0.04 -0.57 -0.02 0.00 -0.53 0.00 0.00 39.78 38.70 1sym n ASN 38 CO 0.00 0.00 0.00 1.21 1.40 0.00 0.00 177.26 179.87 1sym n GLU 39 N -3.64 1.24 0.24 1.20 4.07 -1.10 -4.61 120.64 118.05 1sym n GLU 39 Ca -0.49 0.01 0.15 0.00 -0.06 0.00 0.00 57.16 56.77 1sym n GLU 39 Cb 0.95 -1.07 0.48 0.00 -0.06 0.00 0.00 31.44 31.73 1sym n GLU 39 CO 0.00 0.00 0.00 -0.07 -0.06 0.00 0.00 177.13 177.00 1sym h LEU 40 N 0.00 0.00 0.00 4.31 -0.00 0.37 -2.88 115.31 117.12 1sym h LEU 40 Ca -0.08 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.80 1sym h LEU 40 Cb 1.14 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.80 1sym h LEU 40 CO -0.01 0.00 0.00 -0.24 -0.00 0.00 0.00 178.44 178.19 1sym n SER 41 N -3.03 0.00 -0.82 -0.43 2.88 0.16 -2.36 113.62 110.03 1sym n SER 41 Ca 0.02 0.45 0.03 0.00 -1.33 0.00 0.00 58.87 58.03 1sym n SER 41 Cb 0.39 -0.47 0.13 0.00 -0.75 0.00 0.00 64.21 63.50 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 -1.47 0.59 -3.23 0.66 -0.00 -1.09 -4.24 115.22 106.44 1sym n HIS 42 Ca 0.04 -0.22 -0.24 0.00 -0.00 0.00 0.00 57.72 57.30 1sym n HIS 42 Cb 0.17 -0.17 -0.06 0.00 -0.00 0.00 0.00 29.99 29.93 1sym n HIS 42 CO 0.00 0.00 0.00 1.19 -0.00 0.00 0.00 176.34 177.53 1sym n PHE 43 N 0.22 1.41 0.00 1.57 3.72 -1.00 -5.03 117.46 118.35 1sym n PHE 43 Ca 0.09 -3.83 0.00 0.00 -0.05 0.00 0.00 57.45 53.66 1sym n PHE 43 Cb 0.46 -0.44 0.00 0.00 -0.94 0.00 0.00 39.48 38.56 1sym n PHE 43 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 1sym n LEU 44 N 0.85 0.00 0.00 4.37 4.32 -1.26 -4.76 117.00 120.52 1sym n LEU 44 Ca 0.25 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 56.24 1sym n LEU 44 Cb 0.50 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.30 1sym n LEU 44 CO 0.27 0.00 0.00 -0.62 -1.22 0.00 0.00 177.39 175.82 1sym n GLU 45 N 0.00 -0.78 -0.86 3.23 1.02 -1.26 -4.59 120.64 117.40 1sym n GLU 45 Ca 0.00 0.20 -0.05 0.00 -0.02 0.00 0.00 57.16 57.28 1sym n GLU 45 Cb 0.00 -3.99 -0.05 0.00 -0.02 0.00 0.00 31.44 27.38 1sym n GLU 45 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1sym n GLU 46 N -1.12 0.00 -1.63 3.49 1.02 -1.26 -5.12 120.64 116.03 1sym n GLU 46 Ca 0.00 -0.73 -0.61 0.00 -0.02 0.00 0.00 57.16 55.79 1sym n GLU 46 Cb 0.20 0.48 -0.08 0.00 -0.02 0.00 0.00 31.44 32.02 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 0.00 0.04 -0.02 -3.67 5.41 -1.26 -4.05 119.36 115.81 1sym n ILE 47 Ca -0.21 -0.01 -0.03 0.00 1.00 0.00 0.00 62.75 63.50 1sym n ILE 47 Cb 0.59 -0.44 -0.01 0.00 -0.71 0.00 0.00 39.64 39.06 1sym n ILE 47 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 176.55 177.72 1sym n LYS 48 N 3.01 0.08 -2.44 0.38 4.81 -1.26 -4.83 118.16 117.91 1sym n LYS 48 Ca 0.25 0.03 -0.39 0.00 -0.87 0.00 0.00 58.31 57.32 1sym n LYS 48 Cb 0.05 -0.78 -0.02 0.00 0.02 0.00 0.00 35.03 34.30 1sym n LYS 48 CO 0.00 0.00 0.00 -1.21 1.17 0.00 0.00 177.40 177.36 1sym s GLU 49 N -2.07 3.58 0.47 1.64 0.41 -1.26 -4.73 118.70 116.74 1sym s GLU 49 Ca -0.05 -1.75 0.19 0.00 -0.41 0.00 0.00 54.97 52.95 1sym s GLU 49 Cb 0.02 -5.45 1.14 0.00 -1.78 0.00 0.00 34.13 28.05 1sym s GLU 49 CO 0.07 -2.72 2.01 0.37 -0.49 0.00 0.00 175.26 174.50 1sym h GLN 50 N 8.22 0.00 0.05 1.61 4.15 -1.90 -2.32 115.11 124.92 1sym h GLN 50 Ca 0.38 0.00 -0.24 0.00 0.77 0.00 0.00 58.65 59.56 1sym h GLN 50 Cb 0.89 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 28.58 1sym h GLN 50 CO 1.40 0.18 -1.04 0.93 -1.93 0.00 0.00 178.83 178.36 1sym h GLU 51 N 0.00 0.28 -0.10 1.69 5.08 -1.96 -0.49 114.58 119.08 1sym h GLU 51 Ca -0.00 -0.37 -0.08 0.00 -1.00 0.00 0.00 59.36 57.91 1sym h GLU 51 Cb 0.35 0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.72 1sym h GLU 51 CO 0.02 1.11 -0.23 0.28 -1.00 0.00 0.00 179.01 179.19 1sym h VAL 52 N 0.13 1.39 0.00 3.13 2.07 -1.85 0.78 116.25 121.90 1sym h VAL 52 Ca -0.09 -1.53 -0.19 0.00 0.82 0.00 0.00 66.70 65.72 1sym h VAL 52 Cb 1.72 2.12 -0.03 0.00 -1.52 0.00 0.00 31.29 33.59 1sym h VAL 52 CO 0.17 0.44 -0.88 0.58 0.02 0.00 0.00 177.57 177.90 1sym h VAL 53 N -0.10 1.62 0.00 2.57 2.07 -1.53 -2.91 116.25 117.98 1sym h VAL 53 Ca 0.00 -2.99 0.00 0.00 0.82 0.00 0.00 66.70 64.53 1sym h VAL 53 Cb 0.83 2.62 0.00 0.00 -1.52 0.00 0.00 31.29 33.22 1sym h VAL 53 CO 0.05 0.86 -0.09 0.44 0.02 0.00 0.00 177.57 178.85 1sym h ASP 54 N 0.01 0.00 0.13 0.57 5.19 -1.10 -0.63 116.42 120.59 1sym h ASP 54 Ca -0.01 -0.01 -0.18 0.00 -0.62 0.00 0.00 57.03 56.21 1sym h ASP 54 Cb 1.56 0.00 0.02 0.00 0.18 0.00 0.00 39.33 41.09 1sym h ASP 54 CO 0.12 0.00 -0.79 0.50 -3.12 0.00 0.00 179.24 175.95 1sym h LYS 55 N 0.00 0.30 0.09 3.56 3.64 -0.74 -0.83 116.57 122.59 1sym h LYS 55 Ca 0.00 -0.50 -0.26 0.00 -1.27 0.00 0.00 60.65 58.62 1sym h LYS 55 Cb 0.91 0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 32.90 1sym h LYS 55 CO 0.00 1.23 -1.18 -0.39 -2.27 0.00 0.00 179.45 176.84 1sym h VAL 56 N -0.36 1.55 0.00 2.00 -1.51 -1.58 -2.98 116.25 113.36 1sym h VAL 56 Ca -0.14 -3.16 -0.04 0.00 -1.23 0.00 0.00 66.70 62.13 1sym h VAL 56 Cb 1.61 2.91 -0.01 0.00 -2.13 0.00 0.00 31.29 33.68 1sym h VAL 56 CO 0.15 0.91 -0.17 -0.03 -1.23 0.00 0.00 177.57 177.20 1sym h MET 57 N 0.05 0.00 0.12 5.19 1.85 -1.22 -1.97 114.93 118.96 1sym h MET 57 Ca -0.10 0.00 -0.16 0.00 -0.61 0.00 0.00 59.70 58.83 1sym h MET 57 Cb 1.91 0.00 0.02 0.00 0.43 0.00 0.00 31.60 33.96 1sym h MET 57 CO 0.18 0.17 -0.69 0.93 -0.40 0.00 0.00 176.91 177.10 1sym h GLU 58 N 0.00 0.25 0.00 0.39 5.08 -1.13 -1.15 114.58 118.02 1sym h GLU 58 Ca -0.00 -0.43 -0.06 0.00 -1.00 0.00 0.00 59.36 57.86 1sym h GLU 58 Cb 0.89 0.16 -0.01 0.00 0.50 0.00 0.00 28.75 30.29 1sym h GLU 58 CO 0.02 1.21 -0.30 1.15 -1.00 0.00 0.00 179.01 180.09 1sym h THR 59 N -0.47 0.97 0.39 1.13 2.02 -1.55 0.54 112.91 115.94 1sym h THR 59 Ca -0.12 -1.14 -0.02 0.00 0.77 0.00 0.00 66.41 65.90 1sym h THR 59 Cb 1.55 1.66 0.00 0.00 -1.74 0.00 0.00 68.15 69.62 1sym h THR 59 CO 0.13 0.30 -0.19 -0.07 0.37 0.00 0.00 175.52 176.06 1sym h LEU 60 N 0.00 -0.44 0.00 2.58 3.38 -1.37 -3.17 115.31 116.30 1sym h LEU 60 Ca -0.00 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1sym h LEU 60 Cb 0.64 0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.50 1sym h LEU 60 CO 0.04 -0.10 0.00 -0.67 0.09 0.00 0.00 178.44 177.80 1sym n ASP 61 N -4.57 0.00 0.14 -0.43 -0.08 -0.44 -3.36 116.55 107.81 1sym n ASP 61 Ca -0.06 0.20 -0.08 0.00 -1.51 0.00 0.00 54.79 53.33 1sym n ASP 61 Cb 0.20 -0.38 -0.04 0.00 2.34 0.00 0.00 41.12 43.24 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 -0.41 0.00 -0.67 4.81 0.09 -3.46 114.58 114.93 1sym h GLU 62 Ca 0.00 0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.26 1sym h GLU 62 Cb 0.28 0.09 0.00 0.00 0.63 0.00 0.00 28.75 29.76 1sym h GLU 62 CO 0.00 -0.19 0.00 -3.47 -0.73 0.00 0.00 179.01 174.62 1sym n ASP 63 N -5.06 0.00 -1.29 1.04 2.03 -1.20 -5.00 116.55 107.08 1sym n ASP 63 Ca -0.06 0.00 0.04 0.00 0.52 0.00 0.00 54.79 55.29 1sym n ASP 63 Cb 0.21 0.00 0.23 0.00 -0.72 0.00 0.00 41.12 40.84 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 0.00 2.34 0.40 0.27 0.00 -1.21 -4.55 105.19 102.43 1sym n GLY 64 Ca 0.00 -0.52 0.21 0.00 0.00 0.00 0.00 46.02 45.71 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 0.35 0.00 -4.86 1.61 -0.08 -1.26 -3.32 116.55 108.99 1sym n ASP 65 Ca 0.16 0.57 -0.25 0.00 -1.51 0.00 0.00 54.79 53.75 1sym n ASP 65 Cb 0.79 -0.19 0.08 0.00 2.34 0.00 0.00 41.12 44.13 1sym n ASP 65 CO 0.00 0.00 0.00 -0.83 0.12 0.00 0.00 177.20 176.49 1sym s GLY 66 N -3.08 1.71 0.63 0.27 0.00 -1.26 -4.80 107.32 100.80 1sym s GLY 66 Ca -0.02 -1.05 -0.13 0.00 0.00 0.00 0.00 44.72 43.52 1sym s GLY 66 CO 0.35 -0.62 1.05 -0.54 0.00 0.00 0.00 173.10 173.33 1sym s GLU 67 N -5.23 3.26 0.39 2.90 2.02 -1.26 -3.32 118.70 117.46 1sym s GLU 67 Ca 0.61 1.00 0.08 0.00 0.02 0.00 0.00 54.97 56.68 1sym s GLU 67 Cb -0.10 -2.03 -0.04 0.00 0.10 0.00 0.00 34.13 32.06 1sym s GLU 67 CO 0.45 -0.85 0.22 0.00 0.02 0.00 0.00 175.26 175.10 1sym s ASP 69 N -3.95 5.26 0.26 0.00 1.01 -1.26 -1.41 116.67 116.59 1sym s ASP 69 Ca 0.42 -0.70 0.12 0.00 0.71 0.00 0.00 52.55 53.10 1sym s ASP 69 Cb 0.00 -0.01 0.25 0.00 1.01 0.00 0.00 42.92 44.17 1sym s ASP 69 CO 0.24 -1.17 1.53 0.15 0.21 0.00 0.00 175.17 176.13 1sym h PHE 70 N 0.31 0.00 0.01 4.23 3.57 -1.99 -2.55 116.94 120.52 1sym h PHE 70 Ca -0.33 0.00 -0.19 0.00 3.53 0.00 0.00 57.97 60.98 1sym h PHE 70 Cb 1.29 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 40.01 1sym h PHE 70 CO 0.41 0.64 -0.89 1.96 -2.23 0.00 0.00 178.31 178.21 1sym h GLN 71 N 0.00 0.07 0.03 1.11 1.08 -1.98 -1.09 115.11 114.33 1sym h GLN 71 Ca -0.01 -0.08 -0.15 0.00 -1.45 0.00 0.00 58.65 56.96 1sym h GLN 71 Cb 1.26 0.03 0.01 0.00 -0.05 0.00 0.00 27.48 28.73 1sym h GLN 71 CO 0.08 0.91 -0.61 1.05 -0.95 0.00 0.00 178.83 179.31 1sym h GLU 72 N 0.03 0.35 0.00 1.46 4.11 -1.94 -1.94 114.58 116.65 1sym h GLU 72 Ca -0.02 -0.43 -0.01 0.00 0.07 0.00 0.00 59.36 58.96 1sym h GLU 72 Cb 1.55 0.13 -0.00 0.00 0.50 0.00 0.00 28.75 30.93 1sym h GLU 72 CO 0.12 1.12 -0.06 0.35 0.07 0.00 0.00 179.01 180.61 1sym h PHE 73 N -0.22 0.00 0.08 2.06 3.04 -1.52 0.47 116.94 120.84 1sym h PHE 73 Ca -0.09 0.00 -0.00 0.00 3.98 0.00 0.00 57.97 61.86 1sym h PHE 73 Cb 1.36 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.87 1sym h PHE 73 CO 0.16 0.06 -0.04 0.52 -2.02 0.00 0.00 178.31 177.00 1sym h MET 74 N 0.00 -0.10 0.00 1.11 2.86 -1.09 -1.94 114.93 115.77 1sym h MET 74 Ca -0.00 0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.65 1sym h MET 74 Cb 0.49 0.02 0.00 0.00 0.06 0.00 0.00 31.60 32.18 1sym h MET 74 CO 0.01 0.44 0.00 0.00 1.06 0.00 0.00 176.91 178.42 1sym h ALA 75 N -0.27 1.00 0.09 6.32 0.00 -1.26 -2.85 119.26 122.28 1sym h ALA 75 Ca -0.01 0.00 -0.26 0.00 0.00 0.00 0.00 54.91 54.64 1sym h ALA 75 Cb 0.58 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 1sym h ALA 75 CO 0.02 0.00 -1.19 0.74 0.00 0.00 0.00 179.25 178.81 1sym h PHE 76 N 0.00 0.33 0.00 0.00 -1.00 -0.92 -2.80 116.94 112.56 1sym h PHE 76 Ca 0.00 -0.24 -0.16 0.00 2.81 0.00 0.00 57.97 60.38 1sym h PHE 76 Cb 0.55 -0.01 -0.02 0.00 3.61 0.00 0.00 35.95 40.07 1sym h PHE 76 CO 0.00 1.20 -0.75 0.28 -1.61 0.00 0.00 178.31 177.43 1sym h VAL 77 N 0.05 1.43 0.09 -0.55 2.07 -1.13 -3.12 116.25 115.09 1sym h VAL 77 Ca -0.10 -2.65 -0.26 0.00 0.82 0.00 0.00 66.70 64.51 1sym h VAL 77 Cb 1.91 2.47 0.00 0.00 -1.52 0.00 0.00 31.29 34.15 1sym h VAL 77 CO 0.18 0.73 -1.15 0.28 0.02 0.00 0.00 177.57 177.63 1sym h SER 78 N 0.00 0.39 -0.32 0.57 0.02 -1.57 -2.52 113.55 110.12 1sym h SER 78 Ca -0.01 -0.40 -0.03 0.00 -0.84 0.00 0.00 61.79 60.52 1sym h SER 78 Cb 1.41 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 63.81 1sym h SER 78 CO 0.10 1.28 0.10 0.24 -1.14 0.00 0.00 176.83 177.40 1sym h MET 79 N 0.09 0.51 -0.18 3.45 2.07 -1.52 -2.66 114.93 116.69 1sym h MET 79 Ca -0.11 -0.11 -0.16 0.00 -2.07 0.00 0.00 59.70 57.25 1sym h MET 79 Cb 1.86 -0.07 0.00 0.00 -1.87 0.00 0.00 31.60 31.52 1sym h MET 79 CO 0.19 0.55 -0.50 -0.39 1.07 0.00 0.00 176.91 177.83 1sym h VAL 80 N 0.37 1.32 0.00 -2.22 -1.51 -1.63 -0.74 116.25 111.83 1sym h VAL 80 Ca 0.10 -1.74 0.00 0.00 -1.23 0.00 0.00 66.70 63.83 1sym h VAL 80 Cb 0.26 1.92 0.00 0.00 -2.13 0.00 0.00 31.29 31.34 1sym h VAL 80 CO -0.00 0.54 0.00 0.41 -1.23 0.00 0.00 177.57 177.29 1sym n THR 81 N -4.16 1.37 0.28 7.19 -1.04 -0.95 -1.33 114.28 115.64 1sym n THR 81 Ca -0.06 0.53 0.03 0.00 -2.04 0.00 0.00 64.05 62.51 1sym n THR 81 Cb 0.60 -1.50 -0.02 0.00 -1.82 0.00 0.00 70.33 67.58 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 -1.89 0.00 -2.66 12.58 -2.24 -1.01 -4.70 114.28 114.35 1sym n THR 82 Ca 0.00 -0.38 -0.41 0.00 -2.27 0.00 0.00 64.05 60.99 1sym n THR 82 Cb 0.06 1.02 0.02 0.00 -2.10 0.00 0.00 70.33 69.33 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 -0.92 6.00 -2.00 6.98 0.00 -0.30 -4.37 120.51 125.90 1sym n ALA 83 Ca 0.02 -4.62 -0.05 0.00 0.00 0.00 0.00 53.44 48.78 1sym n ALA 83 Cb 0.10 -2.16 -0.05 0.00 0.00 0.00 0.00 19.45 17.34 1sym n ALA 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1sym n HIS 85 N 0.00 -1.88 -2.05 0.00 -0.00 -1.26 -4.37 115.22 105.66 1sym n HIS 85 Ca -0.21 0.83 -0.32 0.00 0.46 0.00 0.00 57.72 58.48 1sym n HIS 85 Cb 0.65 -3.20 0.03 0.00 -0.12 0.00 0.00 29.99 27.35 1sym n HIS 85 CO 0.00 0.00 0.00 -1.91 0.46 0.00 0.00 176.34 174.89 1sym n GLU 86 N -4.46 3.15 -2.02 1.57 0.00 -1.26 -4.98 120.64 112.63 1sym n GLU 86 Ca 0.07 -3.96 -0.39 0.00 0.00 0.00 0.00 57.16 52.88 1sym n GLU 86 Cb 0.50 -2.27 -0.03 0.00 0.00 0.00 0.00 31.44 29.64 1sym n GLU 86 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.13 177.25 1sym s PHE 87 N -3.76 1.64 -0.08 4.31 5.36 -1.26 -4.29 117.98 119.90 1sym s PHE 87 Ca 0.52 0.81 -0.03 0.00 -0.96 0.00 0.00 56.93 57.28 1sym s PHE 87 Cb 0.43 -4.07 0.01 0.00 -0.34 0.00 0.00 43.02 39.05 1sym s PHE 87 CO -0.19 -2.34 0.05 1.19 -1.46 0.00 0.00 175.22 172.47 1sym n PHE 88 N 12.78 -1.50 1.35 10.12 3.72 -1.26 -4.84 117.46 137.83 1sym n PHE 88 Ca 0.21 0.79 0.13 0.00 -0.05 0.00 0.00 57.45 58.54 1sym n PHE 88 Cb 0.52 -2.03 0.42 0.00 -0.94 0.00 0.00 39.48 37.44 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 1.76 1.45 -0.18 -1.08 4.07 -1.26 -4.24 120.64 121.16 1sym n GLU 89 Ca -0.09 -0.91 0.29 0.00 -0.06 0.00 0.00 57.16 56.39 1sym n GLU 89 Cb 0.27 -1.48 0.60 0.00 -0.06 0.00 0.00 31.44 30.78 1sym n GLU 89 CO 0.00 0.00 0.00 1.12 -0.06 0.00 0.00 177.13 178.19 1sym h HIS 90 N 2.22 0.00 0.00 4.31 2.07 -1.96 -3.55 115.15 118.24 1sym h HIS 90 Ca 0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 1sym h HIS 90 Cb 0.56 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.54 1sym h HIS 90 CO 0.00 0.00 0.00 -1.91 -3.07 0.00 0.00 177.93 172.95