#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hxx s LYS 2 N 0.00 1.22 -0.10 1.64 2.47 -1.26 -0.03 119.74 123.68 2hxx s LYS 2 Ca 0.00 -0.74 -0.01 0.00 -1.56 0.00 0.00 55.97 53.66 2hxx s LYS 2 Cb 0.00 -2.37 -0.03 0.00 -1.46 0.00 0.00 37.83 33.97 2hxx s LYS 2 CO 0.00 -0.61 -0.05 0.00 0.16 0.00 0.00 175.35 174.85 2hxx s ALA 3 N 1.59 3.03 -0.06 3.13 0.00 0.54 -4.98 121.76 125.02 2hxx s ALA 3 Ca -0.04 -0.85 0.06 0.00 0.00 0.00 0.00 51.96 51.13 2hxx s ALA 3 Cb -0.18 -1.37 -0.01 0.00 0.00 0.00 0.00 23.12 21.56 2hxx s ALA 3 CO -0.07 0.46 -0.23 0.08 0.00 0.00 0.00 175.76 176.00 2hxx s VAL 4 N -0.44 1.90 -0.15 0.00 1.01 -1.26 -0.28 120.40 121.18 2hxx s VAL 4 Ca 0.07 -0.98 0.02 0.00 0.00 0.00 0.00 61.98 61.09 2hxx s VAL 4 Cb -0.12 -1.61 0.01 0.00 0.00 0.00 0.00 36.38 34.66 2hxx s VAL 4 CO 0.02 0.53 -0.20 -0.63 0.00 0.00 0.00 175.10 174.82 2hxx s ILE 5 N -0.08 1.97 -1.01 2.22 1.01 -0.11 -4.94 121.20 120.27 2hxx s ILE 5 Ca -0.05 -0.91 -0.14 0.00 0.00 0.00 0.00 60.65 59.55 2hxx s ILE 5 Cb -0.13 -1.76 0.20 0.00 0.01 0.00 0.00 42.46 40.77 2hxx s ILE 5 CO 0.04 0.53 1.10 0.20 0.00 0.00 0.00 174.94 176.81 2hxx s ASN 6 N 1.02 6.92 0.59 3.58 -0.87 -1.26 -0.76 114.94 124.15 2hxx s ASN 6 Ca -0.03 -2.77 0.30 0.00 -1.57 0.00 0.00 52.86 48.79 2hxx s ASN 6 Cb -0.15 -2.31 1.36 0.00 -0.02 0.00 0.00 41.25 40.13 2hxx s ASN 6 CO -0.06 -0.69 1.73 1.23 -2.57 0.00 0.00 177.10 176.73 2hxx h GLY 7 N 8.76 0.00 2.00 0.66 0.00 -0.98 0.34 103.07 113.84 2hxx h GLY 7 Ca 0.19 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.48 2hxx h GLY 7 CO 1.03 0.00 -0.19 1.05 0.00 0.00 0.00 176.54 178.43 2hxx h GLU 8 N 0.00 0.00 -0.01 4.80 4.11 -1.76 -2.35 114.58 119.38 2hxx h GLU 8 Ca 0.35 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.78 2hxx h GLU 8 Cb 1.84 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.09 2hxx h GLU 8 CO -0.00 0.19 -0.18 1.04 0.07 0.00 0.00 179.01 180.12 2hxx n GLN 9 N -4.27 0.86 -2.59 1.06 1.13 0.12 -4.90 117.38 108.79 2hxx n GLN 9 Ca -0.02 -0.44 -0.41 0.00 -1.94 0.00 0.00 57.00 54.19 2hxx n GLN 9 Cb 0.25 -1.49 -0.04 0.00 0.11 0.00 0.00 30.24 29.07 2hxx n GLN 9 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 2hxx s ILE 10 N -2.44 4.15 0.00 5.09 -1.09 -0.89 -4.95 121.20 121.08 2hxx s ILE 10 Ca 0.27 1.77 0.00 0.00 -2.23 0.00 0.00 60.65 60.47 2hxx s ILE 10 Cb 0.20 -4.13 0.00 0.00 -1.58 0.00 0.00 42.46 36.94 2hxx s ILE 10 CO 0.49 0.27 0.15 0.54 -1.23 0.00 0.00 174.94 175.15 2hxx n ARG 11 N 2.76 4.02 -3.78 2.79 5.12 -1.26 -4.85 116.66 121.46 2hxx n ARG 11 Ca 0.03 -0.15 -0.00 0.00 -1.93 0.00 0.00 57.85 55.80 2hxx n ARG 11 Cb 0.47 -0.62 0.00 0.00 -1.16 0.00 0.00 32.46 31.16 2hxx n ARG 11 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 2hxx s SER 12 N -0.62 -0.05 0.16 0.55 1.04 -1.24 -4.77 113.70 108.77 2hxx s SER 12 Ca 0.00 -0.32 -0.13 0.00 0.48 0.00 0.00 55.95 55.97 2hxx s SER 12 Cb 0.00 0.30 0.05 0.00 0.10 0.00 0.00 66.02 66.47 2hxx s SER 12 CO 0.00 -0.57 1.73 -0.29 0.98 0.00 0.00 173.24 175.09 2hxx h ILE 13 N 2.00 1.21 -0.33 -1.02 6.09 -1.86 -2.50 117.51 121.10 2hxx h ILE 13 Ca -0.27 -0.61 -0.02 0.00 -1.37 0.00 0.00 64.86 62.59 2hxx h ILE 13 Cb 1.21 0.63 -0.02 0.00 0.47 0.00 0.00 36.82 39.11 2hxx h ILE 13 CO 0.30 0.24 0.12 0.77 -3.07 0.00 0.00 178.15 176.51 2hxx h SER 14 N 0.71 0.41 -0.71 2.19 4.64 -1.96 -1.53 113.55 117.30 2hxx h SER 14 Ca 0.18 -0.04 0.05 0.00 -0.47 0.00 0.00 61.79 61.51 2hxx h SER 14 Cb 0.15 -0.10 -0.05 0.00 -0.31 0.00 0.00 62.40 62.09 2hxx h SER 14 CO -0.02 0.38 0.42 0.44 -0.87 0.00 0.00 176.83 177.19 2hxx h ASP 15 N 0.46 0.66 -0.30 4.97 5.19 -1.85 0.22 116.42 125.77 2hxx h ASP 15 Ca 0.11 0.02 -0.01 0.00 -0.62 0.00 0.00 57.03 56.53 2hxx h ASP 15 Cb 0.11 -0.12 -0.01 0.00 0.18 0.00 0.00 39.33 39.49 2hxx h ASP 15 CO -0.01 0.43 0.15 -0.07 -3.12 0.00 0.00 179.24 176.62 2hxx h LEU 16 N 0.79 0.39 -0.61 1.55 3.38 -1.06 -0.13 115.31 119.62 2hxx h LEU 16 Ca 0.31 -0.11 -0.06 0.00 0.09 0.00 0.00 57.88 58.11 2hxx h LEU 16 Cb 0.14 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 40.76 2hxx h LEU 16 CO -0.16 0.39 0.16 0.45 0.09 0.00 0.00 178.44 179.37 2hxx h HIS 17 N 0.36 1.02 0.00 1.13 3.86 -0.57 -0.71 115.15 120.24 2hxx h HIS 17 Ca 0.10 -0.12 -0.11 0.00 -1.16 0.00 0.00 60.37 59.09 2hxx h HIS 17 Cb 0.10 -0.29 -0.02 0.00 1.06 0.00 0.00 27.41 28.27 2hxx h HIS 17 CO -0.02 0.86 -0.52 1.96 0.86 0.00 0.00 177.93 181.07 2hxx h GLN 18 N 0.89 0.00 -0.13 2.45 4.20 -0.46 0.17 115.11 122.22 2hxx h GLN 18 Ca 0.19 0.00 -0.06 0.00 0.06 0.00 0.00 58.65 58.85 2hxx h GLN 18 Cb 0.34 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.12 2hxx h GLN 18 CO 0.00 0.52 -0.15 1.15 -0.67 0.00 0.00 178.83 179.68 2hxx h THR 19 N 0.00 1.35 -0.89 -0.54 2.02 -0.75 -2.28 112.91 111.82 2hxx h THR 19 Ca -0.01 -1.32 0.03 0.00 0.77 0.00 0.00 66.41 65.88 2hxx h THR 19 Cb 0.95 1.93 -0.05 0.00 -1.74 0.00 0.00 68.15 69.24 2hxx h THR 19 CO 0.07 0.39 0.59 -0.07 0.37 0.00 0.00 175.52 176.86 2hxx h LEU 20 N -0.06 0.98 -0.53 2.58 3.38 -0.89 0.20 115.31 120.98 2hxx h LEU 20 Ca 0.02 -0.02 0.04 0.00 0.09 0.00 0.00 57.88 58.01 2hxx h LEU 20 Cb 0.68 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 41.16 2hxx h LEU 20 CO 0.04 0.69 0.29 0.50 0.09 0.00 0.00 178.44 180.05 2hxx h LYS 21 N 1.15 0.55 0.06 1.13 3.64 -0.47 0.14 116.57 122.78 2hxx h LYS 21 Ca 0.35 -0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 59.69 2hxx h LYS 21 Cb -0.03 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 31.66 2hxx h LYS 21 CO -0.09 0.37 -0.03 -0.22 -2.27 0.00 0.00 179.45 177.20 2hxx h LYS 22 N 0.57 -0.08 0.00 1.90 1.63 -0.76 0.51 116.57 120.35 2hxx h LYS 22 Ca 0.22 0.01 -0.04 0.00 -0.85 0.00 0.00 60.65 59.99 2hxx h LYS 22 Cb 0.09 0.02 -0.01 0.00 -0.60 0.00 0.00 32.23 31.73 2hxx h LYS 22 CO -0.13 0.48 -0.19 0.93 -3.45 0.00 0.00 179.45 177.09 2hxx h GLU 23 N -0.76 0.00 -0.23 1.90 4.39 -0.56 -2.78 114.58 116.54 2hxx h GLU 23 Ca -0.01 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.69 2hxx h GLU 23 Cb 0.61 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.26 2hxx h GLU 23 CO 0.01 0.19 0.00 1.28 -1.16 0.00 0.00 179.01 179.34 2hxx n LEU 24 N -4.12 2.99 -3.48 1.33 4.77 0.46 -4.53 117.00 114.43 2hxx n LEU 24 Ca -0.02 -1.36 -0.18 0.00 -0.03 0.00 0.00 56.01 54.42 2hxx n LEU 24 Cb 0.26 -0.15 0.07 0.00 -2.33 0.00 0.00 43.42 41.28 2hxx n LEU 24 CO 0.35 0.62 0.04 0.00 -1.33 0.00 0.00 177.39 177.06 2hxx n ALA 25 N 1.17 -2.14 -1.47 -1.18 0.00 -1.00 -4.91 120.51 110.98 2hxx n ALA 25 Ca 0.15 -0.06 -0.29 0.00 0.00 0.00 0.00 53.44 53.24 2hxx n ALA 25 Cb 0.51 -3.03 0.15 0.00 0.00 0.00 0.00 19.45 17.08 2hxx n ALA 25 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2hxx s LEU 26 N -6.26 1.88 0.49 0.00 1.43 0.14 -4.97 118.68 111.39 2hxx s LEU 26 Ca 0.11 0.94 -0.23 0.00 -1.03 0.00 0.00 54.13 53.92 2hxx s LEU 26 Cb -0.02 -3.19 -0.06 0.00 0.03 0.00 0.00 46.19 42.95 2hxx s LEU 26 CO 0.76 -2.76 1.34 0.00 0.23 0.00 0.00 176.35 175.92 2hxx s ALA 27 N -3.24 2.99 0.45 4.21 0.00 -1.26 -4.89 121.76 120.02 2hxx s ALA 27 Ca 0.65 1.30 0.23 0.00 0.00 0.00 0.00 51.96 54.14 2hxx s ALA 27 Cb -0.15 -3.54 1.22 0.00 0.00 0.00 0.00 23.12 20.66 2hxx s ALA 27 CO 0.54 -1.17 1.83 1.49 0.00 0.00 0.00 175.76 178.45 2hxx h GLU 28 N 1.89 0.27 -0.39 0.00 4.57 -1.98 0.13 114.58 119.07 2hxx h GLU 28 Ca -0.51 -0.02 -0.03 0.00 -1.18 0.00 0.00 59.36 57.63 2hxx h GLU 28 Cb 1.28 -0.06 -0.02 0.00 -0.16 0.00 0.00 28.75 29.79 2hxx h GLU 28 CO 0.59 0.18 0.02 0.66 -1.18 0.00 0.00 179.01 179.28 2hxx n TYR 29 N -4.46 1.41 -1.49 0.92 4.01 -1.26 -5.02 117.16 111.26 2hxx n TYR 29 Ca 0.22 -0.90 -0.50 0.00 -0.16 0.00 0.00 57.90 56.56 2hxx n TYR 29 Cb 0.87 -0.41 -0.04 0.00 -0.31 0.00 0.00 39.34 39.45 2hxx n TYR 29 CO 0.00 0.00 0.00 0.98 -0.46 0.00 0.00 176.86 177.38 2hxx n TYR 30 N -0.19 0.38 0.42 -0.72 9.36 0.46 -4.87 117.16 121.99 2hxx n TYR 30 Ca 0.25 0.89 0.13 0.00 3.32 0.00 0.00 57.90 62.49 2hxx n TYR 30 Cb 1.03 -2.10 0.49 0.00 -0.63 0.00 0.00 39.34 38.14 2hxx n TYR 30 CO 0.00 0.00 0.00 0.78 0.22 0.00 0.00 176.86 177.86 2hxx h GLY 31 N 2.06 0.00 -5.94 2.98 0.00 -1.89 -3.48 103.07 96.79 2hxx h GLY 31 Ca -0.38 0.00 -0.39 0.00 0.00 0.00 0.00 47.33 46.56 2hxx h GLY 31 CO 0.62 0.00 -0.78 1.18 0.00 0.00 0.00 176.54 177.56 2hxx n GLU 32 N -2.37 -5.91 -3.76 4.80 1.02 -1.26 -4.96 120.64 108.20 2hxx n GLU 32 Ca 0.03 0.72 -0.10 0.00 -0.02 0.00 0.00 57.16 57.79 2hxx n GLU 32 Cb 0.28 -5.53 -0.05 0.00 -0.02 0.00 0.00 31.44 26.13 2hxx n GLU 32 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 2hxx s ASN 33 N -4.11 -0.12 0.33 1.62 2.20 -1.26 -4.94 114.94 108.66 2hxx s ASN 33 Ca 0.15 -0.53 0.09 0.00 -0.94 0.00 0.00 52.86 51.64 2hxx s ASN 33 Cb -0.07 0.47 0.85 0.00 -2.00 0.00 0.00 41.25 40.50 2hxx s ASN 33 CO 0.78 -0.89 1.78 -0.07 -2.94 0.00 0.00 177.10 175.75 2hxx h LEU 34 N 2.42 0.69 -0.18 3.54 -0.00 -1.98 -0.70 115.31 119.09 2hxx h LEU 34 Ca -0.32 0.10 -0.10 0.00 -0.00 0.00 0.00 57.88 57.55 2hxx h LEU 34 Cb 1.24 -0.02 -0.00 0.00 -0.00 0.00 0.00 40.66 41.88 2hxx h LEU 34 CO 0.46 0.21 -0.29 0.44 -0.00 0.00 0.00 178.44 179.27 2hxx h ASP 35 N 0.65 0.57 -0.38 -0.43 3.32 -1.99 -2.97 116.42 115.19 2hxx h ASP 35 Ca 0.58 -0.53 -0.01 0.00 0.02 0.00 0.00 57.03 57.10 2hxx h ASP 35 Cb 1.06 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 40.43 2hxx h ASP 35 CO -0.36 0.99 0.21 0.00 -1.72 0.00 0.00 179.24 178.36 2hxx h ALA 36 N 0.60 1.61 0.00 3.45 0.00 -1.75 -1.11 119.26 122.06 2hxx h ALA 36 Ca 0.02 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.85 2hxx h ALA 36 Cb 0.87 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.49 2hxx h ALA 36 CO 0.07 0.33 0.00 -0.11 0.00 0.00 0.00 179.25 179.53 2hxx n LEU 37 N -4.42 0.51 0.00 0.00 7.94 -0.34 -0.70 117.00 120.00 2hxx n LEU 37 Ca 0.03 -0.26 0.00 0.00 -1.11 0.00 0.00 56.01 54.67 2hxx n LEU 37 Cb 0.10 -0.13 0.00 0.00 0.53 0.00 0.00 43.42 43.93 2hxx n LEU 37 CO 0.36 0.10 0.00 0.47 -1.11 0.00 0.00 177.39 177.21 2hxx n ASP 39 N 0.63 0.00 0.08 1.96 8.00 -0.42 -1.87 116.55 124.93 2hxx n ASP 39 Ca 0.00 0.00 -0.04 0.00 0.71 0.00 0.00 54.79 55.46 2hxx n ASP 39 Cb 0.10 0.00 0.15 0.00 -0.02 0.00 0.00 41.12 41.34 2hxx n ASP 39 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2hxx h ALA 40 N 0.00 0.92 -0.25 2.24 0.00 -1.17 -0.01 119.26 120.99 2hxx h ALA 40 Ca 0.00 -0.50 -0.10 0.00 0.00 0.00 0.00 54.91 54.31 2hxx h ALA 40 Cb 0.00 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.70 2hxx h ALA 40 CO 0.00 0.69 -0.23 -0.07 0.00 0.00 0.00 179.25 179.64 2hxx h LEU 41 N 0.19 0.63 -0.03 0.00 4.07 -1.63 -0.26 115.31 118.29 2hxx h LEU 41 Ca 0.00 -0.47 -0.08 0.00 0.08 0.00 0.00 57.88 57.41 2hxx h LEU 41 Cb 1.02 -0.18 -0.01 0.00 1.08 0.00 0.00 40.66 42.57 2hxx h LEU 41 CO 0.08 0.97 -0.39 0.71 -1.08 0.00 0.00 178.44 178.73 2hxx h THR 42 N 0.30 0.67 -0.33 0.22 1.35 -1.80 -3.40 112.91 109.92 2hxx h THR 42 Ca 0.04 -1.93 -0.22 0.00 -0.55 0.00 0.00 66.41 63.75 2hxx h THR 42 Cb 0.78 2.32 -0.37 0.00 -1.73 0.00 0.00 68.15 69.16 2hxx h THR 42 CO 0.06 0.38 -1.00 0.61 -0.25 0.00 0.00 175.52 175.32 2hxx n GLY 43 N 1.17 1.72 0.00 5.82 0.00 -0.03 -5.09 105.19 108.77 2hxx n GLY 43 Ca 0.02 -0.92 0.00 0.00 0.00 0.00 0.00 46.02 45.13 2hxx n GLY 43 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2hxx n VAL 45 N -0.60 0.00 -4.02 1.61 0.31 -0.11 -4.91 118.33 110.62 2hxx n VAL 45 Ca 0.03 0.00 -0.36 0.00 -0.01 0.00 0.00 64.34 64.01 2hxx n VAL 45 Cb 0.84 0.00 -0.08 0.00 -0.91 0.00 0.00 33.84 33.69 2hxx n VAL 45 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 2hxx s GLU 46 N 0.00 3.49 0.14 5.55 2.02 -1.26 -4.97 118.70 123.66 2hxx s GLU 46 Ca 0.00 -0.25 0.05 0.00 0.02 0.00 0.00 54.97 54.79 2hxx s GLU 46 Cb 0.00 -3.11 -0.04 0.00 0.10 0.00 0.00 34.13 31.08 2hxx s GLU 46 CO 0.00 0.62 0.10 0.71 0.02 0.00 0.00 175.26 176.71 2hxx s TYR 47 N -0.61 3.12 0.30 1.61 2.02 -1.26 -4.41 117.35 118.11 2hxx s TYR 47 Ca 0.12 -0.01 -0.30 0.00 -0.37 0.00 0.00 57.07 56.51 2hxx s TYR 47 Cb -0.12 -1.53 -0.11 0.00 -0.40 0.00 0.00 41.96 39.81 2hxx s TYR 47 CO 0.02 0.52 1.51 -2.14 -1.57 0.00 0.00 175.55 173.89 2hxx s PRO 48 N -2.87 4.18 -0.11 -1.71 0.02 -1.26 -5.08 135.00 128.17 2hxx s PRO 48 Ca 0.30 2.47 0.03 0.00 0.02 0.00 0.00 61.00 63.81 2hxx s PRO 48 Cb -0.11 -3.04 0.01 0.00 0.02 0.00 0.00 34.50 31.38 2hxx s PRO 48 CO 0.22 -0.52 -0.19 -1.17 -0.33 0.00 0.00 177.00 175.01 2hxx s LEU 49 N -0.81 1.93 -0.14 -5.54 2.96 -0.44 -4.28 118.68 112.36 2hxx s LEU 49 Ca 0.59 -0.50 -0.00 0.00 -0.22 0.00 0.00 54.13 54.00 2hxx s LEU 49 Cb -0.45 -1.25 -0.01 0.00 0.50 0.00 0.00 46.19 44.97 2hxx s LEU 49 CO 0.49 0.07 -0.13 -0.69 -1.32 0.00 0.00 176.35 174.78 2hxx s VAL 50 N 0.75 3.01 -0.23 1.68 1.01 0.96 -0.48 120.40 127.09 2hxx s VAL 50 Ca -0.10 -0.67 0.02 0.00 0.00 0.00 0.00 61.98 61.23 2hxx s VAL 50 Cb -0.16 -2.27 0.05 0.00 0.00 0.00 0.00 36.38 34.00 2hxx s VAL 50 CO 0.01 0.52 -0.13 -0.22 0.00 0.00 0.00 175.10 175.28 2hxx s LEU 51 N 0.49 2.91 0.00 3.92 2.96 0.40 -0.34 118.68 129.03 2hxx s LEU 51 Ca -0.09 -1.14 0.05 0.00 -0.22 0.00 0.00 54.13 52.73 2hxx s LEU 51 Cb -0.16 -1.46 0.05 0.00 0.50 0.00 0.00 46.19 45.12 2hxx s LEU 51 CO 0.04 -0.14 0.41 1.21 -1.32 0.00 0.00 176.35 176.55 2hxx n GLU 52 N 4.53 0.81 -3.56 1.98 2.13 0.61 -0.31 120.64 126.82 2hxx n GLU 52 Ca -0.16 -1.66 -0.13 0.00 0.66 0.00 0.00 57.16 55.88 2hxx n GLU 52 Cb 0.45 -0.11 -0.06 0.00 0.27 0.00 0.00 31.44 31.99 2hxx n GLU 52 CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 2hxx s ARG 54 N -3.38 0.74 -1.43 5.31 0.52 0.06 -0.93 118.95 119.84 2hxx s ARG 54 Ca 0.31 0.22 -0.06 0.00 -0.52 0.00 0.00 55.73 55.67 2hxx s ARG 54 Cb -0.02 0.35 0.04 0.00 0.52 0.00 0.00 34.95 35.84 2hxx s ARG 54 CO 0.20 -0.22 0.77 1.04 0.02 0.00 0.00 175.30 177.11 2hxx n GLN 55 N 0.89 -4.80 -0.25 3.54 1.13 -0.54 -0.46 117.38 116.88 2hxx n GLN 55 Ca -0.13 0.56 0.03 0.00 -1.94 0.00 0.00 57.00 55.52 2hxx n GLN 55 Cb 0.57 -5.19 0.16 0.00 0.11 0.00 0.00 30.24 25.89 2hxx n GLN 55 CO 0.00 0.00 0.00 0.35 -1.44 0.00 0.00 177.06 175.97 2hxx h PHE 56 N -1.93 0.60 -0.64 1.08 3.57 -1.93 -1.57 116.94 116.12 2hxx h PHE 56 Ca -0.60 0.03 -0.04 0.00 3.53 0.00 0.00 57.97 60.89 2hxx h PHE 56 Cb 1.37 -0.16 -0.03 0.00 2.79 0.00 0.00 35.95 39.92 2hxx h PHE 56 CO 0.52 0.17 0.24 1.49 -2.23 0.00 0.00 178.31 178.50 2hxx h GLU 57 N 0.55 0.94 -0.58 1.11 4.57 -1.92 -1.05 114.58 118.20 2hxx h GLU 57 Ca 0.38 -0.16 -0.04 0.00 -1.18 0.00 0.00 59.36 58.36 2hxx h GLU 57 Cb 0.48 -0.16 -0.03 0.00 -0.16 0.00 0.00 28.75 28.89 2hxx h GLU 57 CO -0.32 0.78 0.21 1.96 -1.18 0.00 0.00 179.01 180.46 2hxx h GLN 58 N 0.92 0.88 0.00 1.92 4.20 -1.63 -1.02 115.11 120.39 2hxx h GLN 58 Ca 0.22 -0.17 -0.05 0.00 0.06 0.00 0.00 58.65 58.70 2hxx h GLN 58 Cb 0.20 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 27.84 2hxx h GLN 58 CO -0.02 0.77 -0.24 0.66 -0.67 0.00 0.00 178.83 179.34 2hxx h SER 59 N 0.81 0.00 -0.10 1.46 4.64 -0.85 -1.68 113.55 117.83 2hxx h SER 59 Ca 0.19 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.48 2hxx h SER 59 Cb 0.23 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.32 2hxx h SER 59 CO -0.01 0.24 -0.07 0.50 -0.87 0.00 0.00 176.83 176.61 2hxx h LYS 60 N 0.00 0.22 -0.49 4.77 3.11 -0.58 -2.48 116.57 121.12 2hxx h LYS 60 Ca -0.00 -0.11 -0.04 0.00 -2.81 0.00 0.00 60.65 57.69 2hxx h LYS 60 Cb 0.60 -0.00 -0.02 0.00 -1.00 0.00 0.00 32.23 31.81 2hxx h LYS 60 CO 0.03 0.61 0.14 1.96 -2.81 0.00 0.00 179.45 179.38 2hxx h GLN 61 N -0.17 0.77 0.00 1.90 4.20 -0.85 -0.56 115.11 120.39 2hxx h GLN 61 Ca 0.02 -0.17 0.00 0.00 0.06 0.00 0.00 58.65 58.56 2hxx h GLN 61 Cb 0.56 -0.11 0.00 0.00 0.30 0.00 0.00 27.48 28.23 2hxx h GLN 61 CO 0.02 0.73 0.00 1.28 -0.67 0.00 0.00 178.83 180.19 2hxx n LEU 62 N -4.50 0.00 -0.22 1.46 7.99 -0.66 -2.80 117.00 118.27 2hxx n LEU 62 Ca 0.01 0.00 0.05 0.00 -0.01 0.00 0.00 56.01 56.06 2hxx n LEU 62 Cb 0.20 0.00 0.07 0.00 -0.11 0.00 0.00 43.42 43.58 2hxx n LEU 62 CO 0.39 0.00 0.42 0.35 -1.51 0.00 0.00 177.39 177.04 2hxx n THR 63 N -0.97 0.99 -3.96 -5.08 -2.24 -0.94 -3.64 114.28 98.44 2hxx n THR 63 Ca 0.16 -1.17 -0.31 0.00 -2.27 0.00 0.00 64.05 60.46 2hxx n THR 63 Cb 0.07 0.17 -0.01 0.00 -2.10 0.00 0.00 70.33 68.47 2hxx n THR 63 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2hxx n GLU 64 N -0.73 -1.98 -0.95 -0.78 -0.58 -1.12 -0.24 120.64 114.26 2hxx n GLU 64 Ca 0.08 0.32 0.00 0.00 -0.42 0.00 0.00 57.16 57.14 2hxx n GLU 64 Cb 0.62 -3.98 0.00 0.00 -0.57 0.00 0.00 31.44 27.51 2hxx n GLU 64 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 2hxx n ASN 65 N -2.77 -5.11 0.01 1.62 5.03 -0.23 -4.86 115.26 108.95 2hxx n ASN 65 Ca -0.23 0.00 0.03 0.00 0.87 0.00 0.00 54.58 55.25 2hxx n ASN 65 Cb 0.65 -3.11 0.40 0.00 -1.02 0.00 0.00 39.78 36.70 2hxx n ASN 65 CO 0.00 0.00 0.00 1.23 -1.83 0.00 0.00 177.26 176.66 2hxx h GLY 66 N 0.00 0.56 1.01 7.41 0.00 -0.84 -1.76 103.07 109.45 2hxx h GLY 66 Ca 0.00 -0.23 0.14 0.00 0.00 0.00 0.00 47.33 47.24 2hxx h GLY 66 CO 0.00 0.22 0.36 0.00 0.00 0.00 0.00 176.54 177.13 2hxx h ALA 67 N 1.70 2.38 -0.39 3.60 0.00 -1.82 -0.39 119.26 124.34 2hxx h ALA 67 Ca 0.14 -0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.92 2hxx h ALA 67 Cb 0.02 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 2hxx h ALA 67 CO -0.02 -0.60 -0.20 1.49 0.00 0.00 0.00 179.25 179.92 2hxx h GLU 68 N 0.00 0.76 -0.18 0.00 4.57 -1.70 -0.30 114.58 117.72 2hxx h GLU 68 Ca 0.22 -0.29 -0.20 0.00 -1.18 0.00 0.00 59.36 57.91 2hxx h GLU 68 Cb 0.94 -0.04 0.00 0.00 -0.16 0.00 0.00 28.75 29.49 2hxx h GLU 68 CO -0.00 0.89 -0.69 0.77 -1.18 0.00 0.00 179.01 178.81 2hxx h SER 69 N 0.67 0.86 -0.68 1.04 0.02 -1.18 -0.41 113.55 113.86 2hxx h SER 69 Ca 0.10 -0.52 -0.06 0.00 -0.84 0.00 0.00 61.79 60.47 2hxx h SER 69 Cb 0.69 -0.25 -0.03 0.00 0.14 0.00 0.00 62.40 62.95 2hxx h SER 69 CO 0.05 1.30 0.20 0.58 -1.14 0.00 0.00 176.83 177.83 2hxx h VAL 70 N 0.53 1.26 -0.48 2.27 2.07 -1.31 -2.55 116.25 118.04 2hxx h VAL 70 Ca -0.03 -0.89 -0.06 0.00 0.82 0.00 0.00 66.70 66.54 2hxx h VAL 70 Cb 1.29 0.54 -0.02 0.00 -1.52 0.00 0.00 31.29 31.58 2hxx h VAL 70 CO 0.14 0.34 0.05 0.25 0.02 0.00 0.00 177.57 178.37 2hxx h LEU 71 N 1.00 0.71 -1.35 2.57 5.85 -0.81 -2.60 115.31 120.68 2hxx h LEU 71 Ca 0.22 -0.15 0.01 0.00 0.84 0.00 0.00 57.88 58.80 2hxx h LEU 71 Cb 0.31 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 41.12 2hxx h LEU 71 CO -0.01 0.75 0.44 1.56 -0.34 0.00 0.00 178.44 180.85 2hxx h GLN 72 N 0.72 0.88 -0.56 1.25 1.08 -0.68 -1.22 115.11 116.58 2hxx h GLN 72 Ca 0.15 -0.05 -0.02 0.00 -1.45 0.00 0.00 58.65 57.28 2hxx h GLN 72 Cb 0.37 -0.20 -0.03 0.00 -0.05 0.00 0.00 27.48 27.57 2hxx h GLN 72 CO 0.01 0.58 0.28 0.28 -0.95 0.00 0.00 178.83 179.03 2hxx h VAL 73 N 0.90 1.20 -0.54 -0.54 2.07 -1.11 0.38 116.25 118.61 2hxx h VAL 73 Ca 0.25 -0.54 -0.09 0.00 0.82 0.00 0.00 66.70 67.14 2hxx h VAL 73 Cb -0.09 0.53 -0.02 0.00 -1.52 0.00 0.00 31.29 30.19 2hxx h VAL 73 CO -0.05 0.22 -0.01 -0.26 0.02 0.00 0.00 177.57 177.48 2hxx h PHE 74 N 0.75 1.00 -0.13 1.57 0.04 -1.39 -1.50 116.94 117.28 2hxx h PHE 74 Ca 0.19 -0.16 -0.11 0.00 2.80 0.00 0.00 57.97 60.70 2hxx h PHE 74 Cb 0.09 -0.27 -0.01 0.00 2.20 0.00 0.00 35.95 37.97 2hxx h PHE 74 CO -0.01 0.91 -0.39 0.00 -0.60 0.00 0.00 178.31 178.22 2hxx h ARG 75 N 0.85 0.27 -0.32 1.51 3.08 -0.46 -1.25 114.38 118.06 2hxx h ARG 75 Ca 0.16 -0.12 -0.09 0.00 0.07 0.00 0.00 59.98 59.99 2hxx h ARG 75 Cb 0.52 -0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.56 2hxx h ARG 75 CO 0.03 0.63 -0.16 0.93 -1.07 0.00 0.00 179.97 180.32 2hxx h GLU 76 N 0.23 0.68 -0.50 0.04 5.08 0.00 0.37 114.58 120.48 2hxx h GLU 76 Ca 0.02 -0.30 -0.03 0.00 -1.00 0.00 0.00 59.36 58.05 2hxx h GLU 76 Cb 0.79 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 30.00 2hxx h GLU 76 CO 0.06 0.90 0.18 0.00 -1.00 0.00 0.00 179.01 179.15 2hxx h ALA 77 N 0.77 1.38 -0.37 3.43 0.00 -1.01 -0.80 119.26 122.66 2hxx h ALA 77 Ca 0.07 -0.15 -0.08 0.00 0.00 0.00 0.00 54.91 54.75 2hxx h ALA 77 Cb 0.70 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 2hxx h ALA 77 CO 0.05 0.46 -0.09 -0.22 0.00 0.00 0.00 179.25 179.45 2hxx h LYS 78 N 0.72 0.72 -0.68 0.00 3.64 -0.79 -0.20 116.57 119.98 2hxx h LYS 78 Ca 0.17 -0.28 0.01 0.00 -1.27 0.00 0.00 60.65 59.28 2hxx h LYS 78 Cb 0.17 -0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 31.92 2hxx h LYS 78 CO -0.01 0.87 0.45 0.00 -2.27 0.00 0.00 179.45 178.49 2hxx h ALA 79 N 0.83 1.52 0.00 5.00 0.00 0.28 -1.04 119.26 125.85 2hxx h ALA 79 Ca 0.09 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.96 2hxx h ALA 79 Cb 0.61 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.12 2hxx h ALA 79 CO 0.04 0.44 0.00 0.39 0.00 0.00 0.00 179.25 180.12 2hxx n GLU 80 N -4.43 0.99 0.00 0.00 -0.58 -0.36 -4.86 120.64 111.40 2hxx n GLU 80 Ca 0.07 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.81 2hxx n GLU 80 Cb 0.04 -1.08 0.00 0.00 -0.57 0.00 0.00 31.44 29.83 2hxx n GLU 80 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2hxx n GLY 81 N 0.57 0.53 3.76 0.62 0.00 -0.39 -5.05 105.19 105.22 2hxx n GLY 81 Ca 0.04 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.65 2hxx n GLY 81 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2hxx s ALA 82 N -2.00 3.49 -1.22 4.61 0.00 -0.14 -4.91 121.76 121.60 2hxx s ALA 82 Ca 0.00 1.16 -0.19 0.00 0.00 0.00 0.00 51.96 52.94 2hxx s ALA 82 Cb 0.00 -3.46 0.08 0.00 0.00 0.00 0.00 23.12 19.74 2hxx s ALA 82 CO 0.00 -0.53 1.63 0.34 0.00 0.00 0.00 175.76 177.19 2hxx s ASP 83 N -0.32 6.79 -0.03 0.00 -1.08 -1.26 -4.46 116.67 116.31 2hxx s ASP 83 Ca 0.50 -2.29 0.06 0.00 -0.52 0.00 0.00 52.55 50.30 2hxx s ASP 83 Cb -0.38 -2.55 -0.01 0.00 -1.46 0.00 0.00 42.92 38.52 2hxx s ASP 83 CO 0.47 -1.19 -0.19 -0.63 0.52 0.00 0.00 175.17 174.14 2hxx s ILE 84 N 4.05 1.55 -0.12 4.11 1.01 -1.26 -1.33 121.20 129.21 2hxx s ILE 84 Ca 0.50 -0.82 0.03 0.00 0.00 0.00 0.00 60.65 60.36 2hxx s ILE 84 Cb 0.02 -1.31 0.01 0.00 0.01 0.00 0.00 42.46 41.19 2hxx s ILE 84 CO 0.03 0.44 -0.21 -0.89 0.00 0.00 0.00 174.94 174.31 2hxx s THR 85 N -0.28 1.94 -0.15 2.92 2.01 0.37 -4.99 115.64 117.45 2hxx s THR 85 Ca 0.03 -0.92 -0.01 0.00 0.31 0.00 0.00 61.69 61.10 2hxx s THR 85 Cb -0.09 -1.71 -0.02 0.00 0.01 0.00 0.00 72.50 70.69 2hxx s THR 85 CO 0.01 0.53 -0.10 -0.63 -0.69 0.00 0.00 174.62 173.74 2hxx s ILE 86 N 0.69 3.25 -0.27 1.82 1.01 -1.26 -0.45 121.20 125.99 2hxx s ILE 86 Ca -0.11 -0.58 -0.03 0.00 0.00 0.00 0.00 60.65 59.93 2hxx s ILE 86 Cb -0.16 -2.40 0.03 0.00 0.01 0.00 0.00 42.46 39.94 2hxx s ILE 86 CO 0.02 0.50 -0.02 -0.63 0.00 0.00 0.00 174.94 174.81 2hxx s ILE 87 N 0.56 3.16 -0.72 2.92 1.01 0.58 -4.97 121.20 123.74 2hxx s ILE 87 Ca -0.06 -1.00 -0.13 0.00 0.00 0.00 0.00 60.65 59.46 2hxx s ILE 87 Cb -0.15 -2.65 0.19 0.00 0.01 0.00 0.00 42.46 39.86 2hxx s ILE 87 CO 0.03 0.12 0.64 -0.76 0.00 0.00 0.00 174.94 174.98 2hxx s LEU 88 N 1.36 6.40 0.00 2.97 1.43 -1.26 -4.38 118.68 125.19 2hxx s LEU 88 Ca -0.00 -2.46 0.26 0.00 -1.03 0.00 0.00 54.13 50.89 2hxx s LEU 88 Cb -0.17 -2.16 0.57 0.00 0.03 0.00 0.00 46.19 44.47 2hxx s LEU 88 CO -0.02 -0.62 1.48 -1.20 0.23 0.00 0.00 176.35 176.22