#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k5e s THR 2 N 0.00 5.06 -0.01 3.17 -1.32 -1.26 -5.08 115.64 116.20 2k5e s THR 2 Ca 0.00 0.13 -0.21 0.00 -1.21 0.00 0.00 61.69 60.40 2k5e s THR 2 Cb 0.00 -3.66 -0.05 0.00 -1.51 0.00 0.00 72.50 67.28 2k5e s THR 2 CO 0.00 -0.12 0.61 -1.10 -2.21 0.00 0.00 174.62 171.81 2k5e s GLN 3 N -3.02 4.35 0.18 7.08 -0.21 -1.26 -4.97 119.66 121.80 2k5e s GLN 3 Ca 0.43 0.76 -0.12 0.00 0.02 0.00 0.00 55.36 56.46 2k5e s GLN 3 Cb -0.11 -3.36 0.09 0.00 1.00 0.00 0.00 33.01 30.63 2k5e s GLN 3 CO 0.25 0.32 1.76 0.87 -2.12 0.00 0.00 175.29 176.38 2k5e h LYS 4 N 5.81 0.91 -4.31 2.91 1.79 -2.01 -3.37 116.57 118.30 2k5e h LYS 4 Ca -0.44 -0.14 -0.74 0.00 -2.18 0.00 0.00 60.65 57.15 2k5e h LYS 4 Cb 1.20 -0.16 -0.23 0.00 -1.58 0.00 0.00 32.23 31.46 2k5e h LYS 4 CO 0.71 0.74 -0.33 -0.06 -1.08 0.00 0.00 179.45 179.42 2k5e s PHE 5 N -5.68 3.25 0.36 -1.35 0.08 -1.26 -5.05 117.98 108.33 2k5e s PHE 5 Ca -0.13 -0.96 0.09 0.00 0.12 0.00 0.00 56.93 56.05 2k5e s PHE 5 Cb 0.13 -3.17 -0.06 0.00 -0.57 0.00 0.00 43.02 39.35 2k5e s PHE 5 CO 0.79 -0.80 0.03 -0.08 -0.10 0.00 0.00 175.22 175.06 2k5e s THR 6 N 1.63 2.52 -0.60 0.64 -1.32 -1.26 -4.88 115.64 112.37 2k5e s THR 6 Ca 0.04 -1.94 0.25 0.00 -1.21 0.00 0.00 61.69 58.82 2k5e s THR 6 Cb -0.24 -2.84 0.26 0.00 -1.51 0.00 0.00 72.50 68.17 2k5e s THR 6 CO 0.06 -0.16 1.74 2.29 -2.21 0.00 0.00 174.62 176.35 2k5e n LYS 7 N -0.99 0.21 0.08 7.08 2.85 -1.26 -3.35 118.16 122.79 2k5e n LYS 7 Ca -0.04 0.33 -0.19 0.00 -1.05 0.00 0.00 58.31 57.36 2k5e n LYS 7 Cb 0.63 -1.83 -0.15 0.00 -0.65 0.00 0.00 35.03 33.03 2k5e n LYS 7 CO 0.00 0.00 0.00 0.22 -0.05 0.00 0.00 177.40 177.57 2k5e h ASP 8 N 0.00 0.52 -4.14 -5.58 3.58 -1.96 -2.28 116.42 106.56 2k5e h ASP 8 Ca 0.00 -0.67 -0.54 0.00 0.42 0.00 0.00 57.03 56.24 2k5e h ASP 8 Cb 0.51 -0.17 0.14 0.00 1.72 0.00 0.00 39.33 41.54 2k5e h ASP 8 CO 0.00 1.56 0.44 0.00 -2.88 0.00 0.00 179.24 178.35 2k5e s MET 9 N -2.61 2.50 0.55 0.28 0.23 -1.21 -4.48 119.30 114.56 2k5e s MET 9 Ca -0.10 1.81 -0.13 0.00 -1.03 0.00 0.00 55.69 56.25 2k5e s MET 9 Cb 0.06 -1.87 -0.06 0.00 -1.53 0.00 0.00 34.83 31.43 2k5e s MET 9 CO 0.87 -1.57 0.97 0.95 -2.03 0.00 0.00 175.02 174.21 2k5e s THR 10 N -1.78 4.67 0.24 3.16 -4.23 -1.26 -1.42 115.64 115.01 2k5e s THR 10 Ca 0.76 0.93 -0.04 0.00 -1.18 0.00 0.00 61.69 62.16 2k5e s THR 10 Cb -0.30 -3.80 0.21 0.00 1.34 0.00 0.00 72.50 69.94 2k5e s THR 10 CO 0.40 -0.89 1.77 -0.26 -0.54 0.00 0.00 174.62 175.10 2k5e h PHE 11 N 0.34 0.68 -0.22 3.99 0.04 -1.32 -2.29 116.94 118.17 2k5e h PHE 11 Ca -0.46 0.03 0.04 0.00 2.80 0.00 0.00 57.97 60.38 2k5e h PHE 11 Cb 1.19 -0.19 -0.04 0.00 2.20 0.00 0.00 35.95 39.11 2k5e h PHE 11 CO 0.64 0.21 -0.02 0.00 -0.60 0.00 0.00 178.31 178.54 2k5e h ALA 12 N 1.49 0.17 -0.22 2.45 0.00 -1.46 -1.03 119.26 120.66 2k5e h ALA 12 Ca 0.40 0.07 0.04 0.00 0.00 0.00 0.00 54.91 55.42 2k5e h ALA 12 Cb 0.49 0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.36 2k5e h ALA 12 CO -0.31 -0.45 -0.03 1.96 0.00 0.00 0.00 179.25 180.42 2k5e h GLN 13 N 0.04 0.03 -0.29 0.00 4.20 -1.69 -1.49 115.11 115.91 2k5e h GLN 13 Ca 0.10 -0.00 0.05 0.00 0.06 0.00 0.00 58.65 58.86 2k5e h GLN 13 Cb 0.14 -0.01 -0.04 0.00 0.30 0.00 0.00 27.48 27.87 2k5e h GLN 13 CO -0.19 0.02 0.01 0.00 -0.67 0.00 0.00 178.83 178.00 2k5e h ALA 14 N 1.21 0.26 -0.71 3.87 0.00 -1.12 0.87 119.26 123.64 2k5e h ALA 14 Ca 0.11 0.07 0.06 0.00 0.00 0.00 0.00 54.91 55.15 2k5e h ALA 14 Cb 0.15 0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.02 2k5e h ALA 14 CO -0.21 -0.40 0.47 -0.07 0.00 0.00 0.00 179.25 179.05 2k5e h LEU 15 N 0.10 0.65 0.00 0.00 3.38 -0.84 -0.70 115.31 117.90 2k5e h LEU 15 Ca 0.14 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.11 2k5e h LEU 15 Cb 0.17 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.78 2k5e h LEU 15 CO -0.22 0.42 -0.14 1.56 0.09 0.00 0.00 178.44 180.16 2k5e h GLN 16 N 0.74 0.00 0.21 1.13 1.08 -0.57 -3.33 115.11 114.37 2k5e h GLN 16 Ca 0.31 0.00 -0.30 0.00 -1.45 0.00 0.00 58.65 57.21 2k5e h GLN 16 Cb 0.26 0.00 0.03 0.00 -0.05 0.00 0.00 27.48 27.72 2k5e h GLN 16 CO -0.10 0.00 -1.29 1.15 -0.95 0.00 0.00 178.83 177.64 2k5e h THR 17 N 0.00 1.34 -2.81 -0.54 2.02 0.59 -3.46 112.91 110.05 2k5e h THR 17 Ca 0.00 -2.62 -0.15 0.00 0.77 0.00 0.00 66.41 64.41 2k5e h THR 17 Cb 0.97 3.03 -0.28 0.00 -1.74 0.00 0.00 68.15 70.13 2k5e h THR 17 CO 0.00 0.78 -0.39 -1.00 0.37 0.00 0.00 175.52 175.28 2k5e s HIS 18 N -2.62 -0.49 0.34 3.16 3.76 -0.63 -5.06 115.29 113.76 2k5e s HIS 18 Ca -0.10 1.07 0.03 0.00 -0.15 0.00 0.00 55.06 55.92 2k5e s HIS 18 Cb 0.03 0.16 0.65 0.00 1.11 0.00 0.00 32.58 34.54 2k5e s HIS 18 CO 0.92 -0.30 1.96 -1.35 -0.85 0.00 0.00 174.74 175.12 2k5e h PRO 19 N 7.26 0.84 0.00 8.40 0.11 -1.86 -2.39 132.00 144.35 2k5e h PRO 19 Ca -0.37 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.69 2k5e h PRO 19 Cb 1.17 -0.19 0.00 0.00 0.11 0.00 0.00 31.00 32.09 2k5e h PRO 19 CO 0.31 0.56 0.00 0.78 -0.21 0.00 0.00 178.00 179.44 2k5e h GLY 20 N 0.86 0.00 1.28 -0.55 0.00 -1.95 -2.24 103.07 100.47 2k5e h GLY 20 Ca 0.31 0.00 0.04 0.00 0.00 0.00 0.00 47.33 47.68 2k5e h GLY 20 CO -0.10 0.00 0.38 -2.08 0.00 0.00 0.00 176.54 174.74 2k5e h VAL 21 N 0.00 1.04 -0.39 4.60 2.07 -1.74 -2.20 116.25 119.63 2k5e h VAL 21 Ca 0.00 -0.21 0.03 0.00 0.82 0.00 0.00 66.70 67.34 2k5e h VAL 21 Cb 0.02 0.37 -0.03 0.00 -1.52 0.00 0.00 31.29 30.12 2k5e h VAL 21 CO 0.00 0.11 0.18 0.00 0.02 0.00 0.00 177.57 177.89 2k5e h ALA 22 N 1.68 0.48 -0.67 1.67 0.00 -1.61 -0.30 119.26 120.50 2k5e h ALA 22 Ca 0.24 0.02 -0.05 0.00 0.00 0.00 0.00 54.91 55.12 2k5e h ALA 22 Cb 0.17 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 2k5e h ALA 22 CO -0.07 -0.18 0.21 0.78 0.00 0.00 0.00 179.25 179.99 2k5e h GLY 23 N 0.38 1.12 0.96 0.00 0.00 -1.59 -1.94 103.07 102.00 2k5e h GLY 23 Ca 0.17 -0.66 -0.02 0.00 0.00 0.00 0.00 47.33 46.82 2k5e h GLY 23 CO -0.13 0.62 -0.20 -2.08 0.00 0.00 0.00 176.54 174.75 2k5e h VAL 24 N 0.98 0.59 -0.81 4.60 2.07 -1.02 -0.28 116.25 122.38 2k5e h VAL 24 Ca 0.22 -0.08 0.03 0.00 0.82 0.00 0.00 66.70 67.68 2k5e h VAL 24 Cb 0.29 0.64 -0.05 0.00 -1.52 0.00 0.00 31.29 30.65 2k5e h VAL 24 CO -0.01 0.02 0.52 -0.07 0.02 0.00 0.00 177.57 178.05 2k5e h LEU 25 N -0.60 0.86 -0.52 2.57 3.38 -1.05 -0.38 115.31 119.56 2k5e h LEU 25 Ca -0.06 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 57.91 2k5e h LEU 25 Cb 0.45 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.99 2k5e h LEU 25 CO 0.09 0.60 0.32 0.03 0.09 0.00 0.00 178.44 179.57 2k5e h ARG 26 N 1.01 0.70 -0.78 1.13 3.08 -1.28 0.51 114.38 118.76 2k5e h ARG 26 Ca 0.32 -0.06 0.05 0.00 0.07 0.00 0.00 59.98 60.36 2k5e h ARG 26 Cb 0.00 -0.15 -0.05 0.00 0.08 0.00 0.00 29.97 29.85 2k5e h ARG 26 CO -0.11 0.50 0.48 1.03 -1.07 0.00 0.00 179.97 180.79 2k5e h SER 27 N 0.69 0.76 -0.18 7.04 0.87 -0.14 -1.50 113.55 121.08 2k5e h SER 27 Ca 0.19 0.01 -0.01 0.00 -1.23 0.00 0.00 61.79 60.75 2k5e h SER 27 Cb -0.03 -0.15 -0.01 0.00 -0.44 0.00 0.00 62.40 61.78 2k5e h SER 27 CO -0.04 0.50 0.01 -1.22 -0.53 0.00 0.00 176.83 175.56 2k5e n TYR 28 N -4.66 0.65 -0.49 2.24 4.02 -0.24 -4.87 117.16 113.82 2k5e n TYR 28 Ca 0.10 -0.26 0.00 0.00 -0.01 0.00 0.00 57.90 57.73 2k5e n TYR 28 Cb 0.14 -0.24 0.00 0.00 -0.02 0.00 0.00 39.34 39.22 2k5e n TYR 28 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 176.86 174.14 2k5e n ASN 29 N 0.18 0.00 0.00 7.72 2.85 -0.57 -4.80 115.26 120.64 2k5e n ASN 29 Ca 0.09 0.00 0.14 0.00 -0.11 0.00 0.00 54.58 54.70 2k5e n ASN 29 Cb 0.56 -1.08 0.75 0.00 1.24 0.00 0.00 39.78 41.25 2k5e n ASN 29 CO 0.00 0.00 0.00 0.18 -2.11 0.00 0.00 177.26 175.33 2k5e n LEU 30 N 0.00 0.00 0.26 1.20 4.77 0.17 -3.67 117.00 119.73 2k5e n LEU 30 Ca 0.00 0.16 0.14 0.00 -0.03 0.00 0.00 56.01 56.28 2k5e n LEU 30 Cb 0.00 -0.16 0.77 0.00 -2.33 0.00 0.00 43.42 41.70 2k5e n LEU 30 CO 0.00 -0.02 1.01 1.23 -1.33 0.00 0.00 177.39 178.28 2k5e h GLY 31 N 4.41 0.00 2.00 -0.72 0.00 -1.61 -0.56 103.07 106.59 2k5e h GLY 31 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2k5e h GLY 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.54 2k5e h ILE 33 N 0.00 0.88 -0.51 0.00 3.07 -1.42 -0.65 117.51 118.88 2k5e h ILE 33 Ca 0.00 -0.25 -0.44 0.00 1.55 0.00 0.00 64.86 65.72 2k5e h ILE 33 Cb 0.24 0.09 -0.10 0.00 -0.27 0.00 0.00 36.82 36.77 2k5e h ILE 33 CO 0.00 0.13 0.89 0.61 -1.05 0.00 0.00 178.15 178.73 2k5e n GLY 34 N -1.43 3.94 0.29 0.16 0.00 -1.12 -2.41 105.19 104.62 2k5e n GLY 34 Ca 0.16 -1.59 0.00 0.00 0.00 0.00 0.00 46.02 44.59 2k5e n GLY 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k5e n MET 36 N -1.37 1.50 -2.89 0.00 0.00 -0.32 -4.95 117.12 109.09 2k5e n MET 36 Ca 0.00 -0.78 -0.09 0.00 0.00 0.00 0.00 57.70 56.83 2k5e n MET 36 Cb 0.00 -1.48 0.03 0.00 0.00 0.00 0.00 33.22 31.77 2k5e n MET 36 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 2k5e n GLY 37 N 1.16 0.34 1.51 3.17 0.00 -1.19 -4.96 105.19 105.23 2k5e n GLY 37 Ca 0.19 -0.31 0.08 0.00 0.00 0.00 0.00 46.02 45.99 2k5e n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k5e n ALA 38 N -3.34 3.33 -0.25 4.61 0.00 -1.01 -4.62 120.51 119.23 2k5e n ALA 38 Ca -0.01 -1.85 -0.00 0.00 0.00 0.00 0.00 53.44 51.57 2k5e n ALA 38 Cb 0.53 -0.96 0.21 0.00 0.00 0.00 0.00 19.45 19.24 2k5e n ALA 38 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 2k5e h GLN 39 N 3.45 1.06 -0.67 0.00 1.08 -1.93 -2.43 115.11 115.67 2k5e h GLN 39 Ca 0.00 -0.07 0.00 0.00 -1.45 0.00 0.00 58.65 57.13 2k5e h GLN 39 Cb 1.62 -0.24 0.00 0.00 -0.05 0.00 0.00 27.48 28.81 2k5e h GLN 39 CO 0.32 0.71 0.00 0.09 -0.95 0.00 0.00 178.83 179.00 2k5e n ASN 40 N -4.41 4.70 -4.75 1.46 3.02 -1.26 -1.20 115.26 112.82 2k5e n ASN 40 Ca 0.09 -2.72 -0.32 0.00 -0.03 0.00 0.00 54.58 51.60 2k5e n ASN 40 Cb 0.03 -0.64 -0.07 0.00 -0.61 0.00 0.00 39.78 38.49 2k5e n ASN 40 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 2k5e s GLU 41 N -2.36 2.95 0.61 3.52 2.12 -0.91 -4.91 118.70 119.72 2k5e s GLU 41 Ca 0.43 -0.56 -0.18 0.00 0.36 0.00 0.00 54.97 55.01 2k5e s GLU 41 Cb 0.32 -2.78 -0.03 0.00 0.26 0.00 0.00 34.13 31.91 2k5e s GLU 41 CO 0.13 0.63 1.24 -1.12 -0.54 0.00 0.00 175.26 175.59 2k5e s SER 42 N -1.80 4.96 0.16 -1.70 0.01 -1.26 -2.04 113.70 112.02 2k5e s SER 42 Ca 0.23 2.48 -0.17 0.00 1.31 0.00 0.00 55.95 59.80 2k5e s SER 42 Cb -0.12 -2.61 0.08 0.00 0.21 0.00 0.00 66.02 63.59 2k5e s SER 42 CO 0.14 -1.76 1.69 -0.07 0.41 0.00 0.00 173.24 173.66 2k5e h LEU 43 N 0.75 -0.20 -0.85 2.44 3.38 -1.01 -1.89 115.31 117.93 2k5e h LEU 43 Ca -0.51 0.09 -0.08 0.00 0.09 0.00 0.00 57.88 57.48 2k5e h LEU 43 Cb 1.31 0.17 -0.02 0.00 0.09 0.00 0.00 40.66 42.21 2k5e h LEU 43 CO 0.54 -0.06 0.02 -0.08 0.09 0.00 0.00 178.44 178.95 2k5e h GLU 44 N 0.07 0.88 -0.18 1.13 4.81 -1.72 -0.32 114.58 119.24 2k5e h GLU 44 Ca 0.18 -0.24 0.00 0.00 -0.13 0.00 0.00 59.36 59.17 2k5e h GLU 44 Cb 0.26 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.53 2k5e h GLU 44 CO -0.32 0.86 0.11 1.96 -0.73 0.00 0.00 179.01 180.89 2k5e h GLN 45 N 0.82 0.24 -0.59 1.92 4.20 -1.69 -0.15 115.11 119.86 2k5e h GLN 45 Ca 0.16 -0.02 -0.09 0.00 0.06 0.00 0.00 58.65 58.76 2k5e h GLN 45 Cb 0.46 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 28.16 2k5e h GLN 45 CO 0.02 0.18 0.02 0.78 -0.67 0.00 0.00 178.83 179.16 2k5e h GLY 46 N 0.22 1.11 0.90 3.46 0.00 -1.19 -2.22 103.07 105.35 2k5e h GLY 46 Ca 0.06 -0.78 -0.01 0.00 0.00 0.00 0.00 47.33 46.60 2k5e h GLY 46 CO -0.01 0.72 -0.22 0.00 0.00 0.00 0.00 176.54 177.03 2k5e h ALA 47 N 1.06 -0.55 -0.56 3.60 0.00 -0.81 -2.51 119.26 119.49 2k5e h ALA 47 Ca 0.17 -0.11 0.09 0.00 0.00 0.00 0.00 54.91 55.07 2k5e h ALA 47 Cb 0.52 0.27 -0.03 0.00 0.00 0.00 0.00 17.79 18.55 2k5e h ALA 47 CO 0.03 -0.82 0.38 -0.91 0.00 0.00 0.00 179.25 177.93 2k5e h ASN 48 N -0.55 0.36 -0.87 0.00 2.35 -1.02 0.19 115.58 116.03 2k5e h ASN 48 Ca -0.04 0.01 0.03 0.00 -0.55 0.00 0.00 56.30 55.75 2k5e h ASN 48 Cb 0.45 -0.07 -0.05 0.00 0.05 0.00 0.00 38.32 38.71 2k5e h ASN 48 CO 0.04 0.22 0.57 0.00 -1.65 0.00 0.00 177.43 176.61 2k5e h ALA 49 N 1.71 1.45 -0.00 -0.83 0.00 -0.97 -1.32 119.26 119.30 2k5e h ALA 49 Ca 0.26 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.13 2k5e h ALA 49 Cb 0.49 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.97 2k5e h ALA 49 CO -0.07 0.46 -0.47 0.72 0.00 0.00 0.00 179.25 179.90 2k5e n HIS 50 N -4.44 0.00 -0.81 0.00 8.25 -0.27 -4.95 115.22 113.00 2k5e n HIS 50 Ca 0.11 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.57 2k5e n HIS 50 Cb 0.10 -0.24 0.00 0.00 1.12 0.00 0.00 29.99 30.98 2k5e n HIS 50 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2k5e n GLY 51 N 1.48 0.53 3.89 -1.41 0.00 0.51 -5.06 105.19 105.13 2k5e n GLY 51 Ca 0.06 -0.58 -0.24 0.00 0.00 0.00 0.00 46.02 45.26 2k5e n GLY 51 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2k5e s LEU 52 N 0.00 4.10 -0.34 0.99 1.43 -0.23 -4.93 118.68 119.69 2k5e s LEU 52 Ca 0.00 -0.00 -0.24 0.00 -1.03 0.00 0.00 54.13 52.86 2k5e s LEU 52 Cb 0.00 -2.67 0.01 0.00 0.03 0.00 0.00 46.19 43.56 2k5e s LEU 52 CO 0.00 0.02 0.83 0.21 0.23 0.00 0.00 176.35 177.63 2k5e s ASN 53 N -3.44 6.63 0.41 2.29 3.84 -1.26 -3.74 114.94 119.67 2k5e s ASN 53 Ca 0.33 0.53 0.15 0.00 0.21 0.00 0.00 52.86 54.08 2k5e s ASN 53 Cb -0.10 -2.42 0.88 0.00 -0.55 0.00 0.00 41.25 39.07 2k5e s ASN 53 CO 0.27 -0.73 1.90 1.62 -2.79 0.00 0.00 177.10 177.37 2k5e h VAL 54 N 5.72 1.14 -0.29 -5.21 3.04 -1.90 -3.07 116.25 115.68 2k5e h VAL 54 Ca -0.24 -0.99 -0.08 0.00 -1.01 0.00 0.00 66.70 64.38 2k5e h VAL 54 Cb 1.09 1.54 -0.02 0.00 -2.01 0.00 0.00 31.29 31.90 2k5e h VAL 54 CO 0.92 0.28 -0.15 -0.33 -1.01 0.00 0.00 177.57 177.28 2k5e h GLU 55 N 0.00 0.50 -0.12 4.17 5.08 -1.99 0.19 114.58 122.41 2k5e h GLU 55 Ca -0.00 -0.15 -0.15 0.00 -1.00 0.00 0.00 59.36 58.05 2k5e h GLU 55 Cb 0.52 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.72 2k5e h GLU 55 CO 0.04 0.64 -0.57 0.22 -1.00 0.00 0.00 179.01 178.34 2k5e h ASP 56 N 0.46 0.41 -0.54 1.42 3.58 -1.97 -2.88 116.42 116.91 2k5e h ASP 56 Ca 0.08 -0.23 -0.05 0.00 0.42 0.00 0.00 57.03 57.25 2k5e h ASP 56 Cb 0.54 -0.12 -0.02 0.00 1.72 0.00 0.00 39.33 41.45 2k5e h ASP 56 CO 0.03 0.90 0.12 0.40 -2.88 0.00 0.00 179.24 177.81 2k5e h ILE 57 N 0.28 1.25 -0.70 2.25 2.04 -1.23 -2.69 117.51 118.71 2k5e h ILE 57 Ca 0.00 -0.89 0.09 0.00 1.00 0.00 0.00 64.86 65.07 2k5e h ILE 57 Cb 1.08 0.79 -0.05 0.00 -0.74 0.00 0.00 36.82 37.91 2k5e h ILE 57 CO 0.10 0.32 0.46 -0.07 0.00 0.00 0.00 178.15 178.96 2k5e h LEU 58 N 0.76 0.52 -0.12 1.44 3.38 -0.59 -0.09 115.31 120.62 2k5e h LEU 58 Ca 0.17 0.01 0.05 0.00 0.09 0.00 0.00 57.88 58.20 2k5e h LEU 58 Cb 0.35 -0.10 -0.06 0.00 0.09 0.00 0.00 40.66 40.94 2k5e h LEU 58 CO 0.00 0.32 -0.31 -0.09 0.09 0.00 0.00 178.44 178.45 2k5e h ARG 59 N 0.58 -0.38 -0.23 1.13 2.43 -1.26 -1.14 114.38 115.52 2k5e h ARG 59 Ca 0.32 0.03 -0.04 0.00 -0.81 0.00 0.00 59.98 59.48 2k5e h ARG 59 Cb 0.48 0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 30.10 2k5e h ARG 59 CO -0.11 -0.25 0.00 0.22 -1.51 0.00 0.00 179.97 178.32 2k5e h ASP 60 N -0.39 0.40 -0.33 -3.80 1.82 -1.27 -1.50 116.42 111.34 2k5e h ASP 60 Ca 0.09 -0.31 0.06 0.00 -0.39 0.00 0.00 57.03 56.49 2k5e h ASP 60 Cb 0.54 -0.11 -0.06 0.00 0.68 0.00 0.00 39.33 40.38 2k5e h ASP 60 CO -0.34 0.61 -0.05 -0.07 -1.61 0.00 0.00 179.24 177.78 2k5e h LEU 61 N 0.17 -0.23 -0.64 2.28 3.38 -0.90 -0.64 115.31 118.73 2k5e h LEU 61 Ca 0.07 0.09 -0.14 0.00 0.09 0.00 0.00 57.88 57.98 2k5e h LEU 61 Cb 0.40 0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.31 2k5e h LEU 61 CO 0.01 -0.08 -0.66 0.78 0.09 0.00 0.00 178.44 178.58 2k5e h ASN 62 N 0.04 0.00 0.16 -0.43 2.35 -1.25 -2.98 115.58 113.46 2k5e h ASN 62 Ca 0.16 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.89 2k5e h ASN 62 Cb 0.23 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.60 2k5e h ASN 62 CO -0.31 0.66 -0.11 0.00 -1.65 0.00 0.00 177.43 176.02 2k5e h ALA 63 N 1.34 1.65 -0.89 -0.83 0.00 -0.23 -1.49 119.26 118.80 2k5e h ALA 63 Ca -0.01 -0.10 0.11 0.00 0.00 0.00 0.00 54.91 54.91 2k5e h ALA 63 Cb 1.20 -0.02 -0.07 0.00 0.00 0.00 0.00 17.79 18.90 2k5e h ALA 63 CO 0.09 0.14 0.57 -0.07 0.00 0.00 0.00 179.25 179.98 2k5e h LEU 64 N 0.00 0.76 0.09 0.00 3.38 -0.99 0.18 115.31 118.73 2k5e h LEU 64 Ca -0.00 0.03 -0.36 0.00 0.09 0.00 0.00 57.88 57.64 2k5e h LEU 64 Cb 0.22 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 40.81 2k5e h LEU 64 CO 0.01 0.43 -2.00 0.00 0.09 0.00 0.00 178.44 176.98 2k5e n ALA 65 N -2.41 0.96 0.07 1.53 0.00 -0.89 -4.55 120.51 115.23 2k5e n ALA 65 Ca 0.16 -0.67 -0.12 0.00 0.00 0.00 0.00 53.44 52.81 2k5e n ALA 65 Cb 0.35 -0.56 -0.08 0.00 0.00 0.00 0.00 19.45 19.16 2k5e n ALA 65 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 2k5e h LEU 66 N -0.09 -0.20 2.53 0.00 3.38 -1.22 -3.47 115.31 116.24 2k5e h LEU 66 Ca -0.45 -0.32 -0.32 0.00 0.09 0.00 0.00 57.88 56.88 2k5e h LEU 66 Cb 1.92 0.05 -0.03 0.00 0.09 0.00 0.00 40.66 42.69 2k5e h LEU 66 CO 0.01 0.27 -0.39 -0.62 0.09 0.00 0.00 178.44 177.80 2k5e n GLU 67 N -4.98 -1.92 -2.66 1.13 1.02 0.63 -4.96 120.64 108.90 2k5e n GLU 67 Ca -0.09 0.79 -0.40 0.00 -0.02 0.00 0.00 57.16 57.45 2k5e n GLU 67 Cb 0.26 -5.38 -0.05 0.00 -0.02 0.00 0.00 31.44 26.25 2k5e n GLU 67 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 2k5e s HIS 68 N -2.73 3.80 -0.30 -0.32 3.76 -1.26 -5.00 115.29 113.23 2k5e s HIS 68 Ca 0.00 1.82 -0.29 0.00 -0.15 0.00 0.00 55.06 56.45 2k5e s HIS 68 Cb 0.00 -3.08 -0.01 0.00 1.11 0.00 0.00 32.58 30.61 2k5e s HIS 68 CO 0.00 0.06 1.48 -1.58 -0.85 0.00 0.00 174.74 173.85 2k5e s HIS 69 N -1.24 2.34 -0.96 1.40 2.46 -1.26 -4.91 115.29 113.12 2k5e s HIS 69 Ca 0.44 0.69 -0.25 0.00 0.47 0.00 0.00 55.06 56.41 2k5e s HIS 69 Cb -0.27 -4.05 -0.12 0.00 -0.13 0.00 0.00 32.58 28.01 2k5e s HIS 69 CO 0.34 -2.30 2.13 -1.58 -2.47 0.00 0.00 174.74 170.86 2k5e s HIS 70 N 5.13 1.48 -0.03 3.88 2.46 -1.26 -4.90 115.29 122.05 2k5e s HIS 70 Ca 0.65 1.43 -0.30 0.00 0.47 0.00 0.00 55.06 57.30 2k5e s HIS 70 Cb -0.19 -3.68 -0.06 0.00 -0.13 0.00 0.00 32.58 28.52 2k5e s HIS 70 CO 0.28 -1.35 1.63 -1.58 -2.47 0.00 0.00 174.74 171.25 2k5e s HIS 71 N 13.36 2.14 0.20 3.88 2.46 -1.26 -5.00 115.29 131.07 2k5e s HIS 71 Ca 0.80 0.28 -0.11 0.00 0.47 0.00 0.00 55.06 56.50 2k5e s HIS 71 Cb -0.07 -3.90 -0.07 0.00 -0.13 0.00 0.00 32.58 28.41 2k5e s HIS 71 CO 0.09 -3.70 0.54 -1.01 -2.47 0.00 0.00 174.74 168.19 2k5e s HIS 72 N 3.64 3.48 -2.67 3.88 3.76 -1.26 -5.33 115.29 120.79 2k5e s HIS 72 Ca 0.72 0.92 0.27 0.00 -0.15 0.00 0.00 55.06 56.82 2k5e s HIS 72 Cb -0.34 -2.29 0.76 0.00 1.11 0.00 0.00 32.58 31.83 2k5e s HIS 72 CO 0.30 0.33 1.58 1.58 -0.85 0.00 0.00 174.74 177.68