#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 5.40 -0.16 3.17 2.01 -1.26 -5.10 115.64 119.70 2k5e s THR 2 Ca 0.00 0.33 -0.07 0.00 0.31 0.00 0.00 61.69 62.26 2k5e s THR 2 Cb 0.00 -3.48 -0.04 0.00 0.01 0.00 0.00 72.50 68.99 2k5e s THR 2 CO 0.00 0.59 0.08 -1.10 -0.69 0.00 0.00 174.62 173.50 2k5e s GLN 3 N -1.10 3.74 0.05 4.92 -0.21 -1.26 -5.02 119.66 120.79 2k5e s GLN 3 Ca 0.18 -0.29 -0.20 0.00 0.02 0.00 0.00 55.36 55.07 2k5e s GLN 3 Cb -0.13 -3.18 -0.13 0.00 1.00 0.00 0.00 33.01 30.58 2k5e s GLN 3 CO 0.07 0.46 1.42 0.87 -2.12 0.00 0.00 175.29 175.98 2k5e h LYS 4 N 6.08 0.34 -5.00 2.91 1.79 -1.97 -3.41 116.57 117.31 2k5e h LYS 4 Ca -0.44 -0.14 -0.64 0.00 -2.18 0.00 0.00 60.65 57.25 2k5e h LYS 4 Cb 1.18 -0.01 -0.16 0.00 -1.58 0.00 0.00 32.23 31.66 2k5e h LYS 4 CO 0.66 0.64 -0.39 -0.06 -1.08 0.00 0.00 179.45 179.22 2k5e s PHE 5 N -4.62 3.23 0.19 -1.35 0.40 -1.26 -5.08 117.98 109.50 2k5e s PHE 5 Ca -0.14 0.22 0.09 0.00 -0.60 0.00 0.00 56.93 56.50 2k5e s PHE 5 Cb 0.06 -2.48 -0.04 0.00 0.51 0.00 0.00 43.02 41.07 2k5e s PHE 5 CO 0.74 -0.21 -0.19 -0.08 0.70 0.00 0.00 175.22 176.18 2k5e s THR 6 N 1.90 1.97 0.65 0.64 -1.32 -1.26 -4.86 115.64 113.36 2k5e s THR 6 Ca 0.10 -2.03 0.40 0.00 -1.21 0.00 0.00 61.69 58.95 2k5e s THR 6 Cb -0.16 -1.97 0.42 0.00 -1.51 0.00 0.00 72.50 69.28 2k5e s THR 6 CO 0.11 -0.33 2.30 0.07 -2.21 0.00 0.00 174.62 174.55 2k5e h LYS 7 N 3.03 0.00 -0.26 7.08 2.10 -1.97 -2.49 116.57 124.05 2k5e h LYS 7 Ca -0.42 0.00 -0.17 0.00 -2.00 0.00 0.00 60.65 58.06 2k5e h LYS 7 Cb 1.21 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.54 2k5e h LYS 7 CO 0.53 0.00 -0.50 0.22 -2.00 0.00 0.00 179.45 177.70 2k5e h ASP 8 N 0.00 0.82 -4.20 7.07 3.58 -1.96 -3.03 116.42 118.68 2k5e h ASP 8 Ca 0.00 -0.42 -0.49 0.00 0.42 0.00 0.00 57.03 56.55 2k5e h ASP 8 Cb 0.09 -0.23 0.06 0.00 1.72 0.00 0.00 39.33 40.97 2k5e h ASP 8 CO -0.00 1.17 0.38 0.00 -2.88 0.00 0.00 179.24 177.91 2k5e s MET 9 N -4.14 3.38 0.58 0.28 0.23 -0.94 -4.69 119.30 114.00 2k5e s MET 9 Ca -0.09 1.15 -0.07 0.00 -1.03 0.00 0.00 55.69 55.65 2k5e s MET 9 Cb 0.11 -2.04 -0.01 0.00 -1.53 0.00 0.00 34.83 31.36 2k5e s MET 9 CO 0.86 -0.75 0.91 0.95 -2.03 0.00 0.00 175.02 174.96 2k5e s THR 10 N -2.51 4.08 0.26 3.16 -4.23 -1.26 -0.76 115.64 114.37 2k5e s THR 10 Ca 0.63 0.22 -0.01 0.00 -1.18 0.00 0.00 61.69 61.34 2k5e s THR 10 Cb -0.15 -3.61 0.25 0.00 1.34 0.00 0.00 72.50 70.33 2k5e s THR 10 CO 0.37 -0.67 1.81 -0.26 -0.54 0.00 0.00 174.62 175.33 2k5e h PHE 11 N -0.15 0.96 -0.14 3.99 0.04 -1.36 -1.54 116.94 118.73 2k5e h PHE 11 Ca -0.46 0.03 0.00 0.00 2.80 0.00 0.00 57.97 60.35 2k5e h PHE 11 Cb 1.23 -0.29 -0.01 0.00 2.20 0.00 0.00 35.95 39.08 2k5e h PHE 11 CO 0.53 0.35 0.09 0.00 -0.60 0.00 0.00 178.31 178.68 2k5e h ALA 12 N 1.51 0.18 -0.63 2.45 0.00 -1.81 -0.85 119.26 120.12 2k5e h ALA 12 Ca 0.45 -0.02 0.06 0.00 0.00 0.00 0.00 54.91 55.40 2k5e h ALA 12 Cb 0.49 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.16 2k5e h ALA 12 CO -0.28 -0.32 0.34 1.96 0.00 0.00 0.00 179.25 180.95 2k5e h GLN 13 N 0.18 0.62 0.09 0.00 4.20 -1.69 -1.23 115.11 117.29 2k5e h GLN 13 Ca 0.05 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.73 2k5e h GLN 13 Cb -0.01 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 27.63 2k5e h GLN 13 CO -0.01 0.41 -0.08 0.00 -0.67 0.00 0.00 178.83 178.48 2k5e h ALA 14 N 1.33 -0.16 -0.81 3.87 0.00 -1.00 -1.61 119.26 120.88 2k5e h ALA 14 Ca 0.28 -0.03 0.10 0.00 0.00 0.00 0.00 54.91 55.27 2k5e h ALA 14 Cb 0.17 0.11 -0.06 0.00 0.00 0.00 0.00 17.79 18.01 2k5e h ALA 14 CO -0.18 -0.60 0.53 -0.07 0.00 0.00 0.00 179.25 178.93 2k5e h LEU 15 N -0.18 0.67 -0.62 0.00 3.38 -0.81 -0.42 115.31 117.32 2k5e h LEU 15 Ca -0.00 0.02 -0.00 0.00 0.09 0.00 0.00 57.88 57.99 2k5e h LEU 15 Cb 0.17 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 40.80 2k5e h LEU 15 CO -0.01 0.39 -0.01 1.56 0.09 0.00 0.00 178.44 180.46 2k5e h GLN 16 N 0.74 0.00 0.15 1.13 1.08 -0.89 -3.28 115.11 114.03 2k5e h GLN 16 Ca 0.38 0.00 -0.31 0.00 -1.45 0.00 0.00 58.65 57.26 2k5e h GLN 16 Cb 0.47 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.90 2k5e h GLN 16 CO -0.15 0.01 -1.51 1.15 -0.95 0.00 0.00 178.83 177.38 2k5e h THR 17 N 0.00 1.19 -2.70 -0.54 2.02 -0.10 -3.46 112.91 109.31 2k5e h THR 17 Ca -0.00 -2.79 -0.14 0.00 0.77 0.00 0.00 66.41 64.26 2k5e h THR 17 Cb 0.80 2.82 -0.28 0.00 -1.74 0.00 0.00 68.15 69.75 2k5e h THR 17 CO 0.00 0.83 -0.38 -1.00 0.37 0.00 0.00 175.52 175.34 2k5e s HIS 18 N -2.62 -0.59 0.50 3.16 3.76 -0.91 -5.04 115.29 113.55 2k5e s HIS 18 Ca -0.09 1.23 0.17 0.00 -0.15 0.00 0.00 55.06 56.21 2k5e s HIS 18 Cb 0.06 0.19 1.21 0.00 1.11 0.00 0.00 32.58 35.16 2k5e s HIS 18 CO 0.87 -0.37 2.08 -1.35 -0.85 0.00 0.00 174.74 175.12 2k5e h PRO 19 N 7.61 0.13 0.00 8.40 0.11 -1.88 -1.71 132.00 144.67 2k5e h PRO 19 Ca -0.28 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.81 2k5e h PRO 19 Cb 1.15 -0.03 -0.00 0.00 0.11 0.00 0.00 31.00 32.23 2k5e h PRO 19 CO 0.23 0.09 -0.05 0.78 -0.21 0.00 0.00 178.00 178.84 2k5e h GLY 20 N 0.13 0.00 0.70 -0.55 0.00 -1.96 -2.97 103.07 98.43 2k5e h GLY 20 Ca 0.12 0.00 0.10 0.00 0.00 0.00 0.00 47.33 47.55 2k5e h GLY 20 CO -0.02 0.00 0.57 -2.08 0.00 0.00 0.00 176.54 175.01 2k5e h VAL 21 N 0.00 0.94 -0.48 4.60 2.07 -1.63 -1.64 116.25 120.11 2k5e h VAL 21 Ca -0.00 -0.29 0.08 0.00 0.82 0.00 0.00 66.70 67.31 2k5e h VAL 21 Cb 0.20 0.03 -0.06 0.00 -1.52 0.00 0.00 31.29 29.95 2k5e h VAL 21 CO 0.01 0.15 0.13 0.00 0.02 0.00 0.00 177.57 177.87 2k5e h ALA 22 N 1.57 0.56 -0.37 1.67 0.00 -1.72 0.42 119.26 121.39 2k5e h ALA 22 Ca 0.41 0.09 -0.06 0.00 0.00 0.00 0.00 54.91 55.35 2k5e h ALA 22 Cb 0.46 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 2k5e h ALA 22 CO -0.18 -0.28 -0.02 0.78 0.00 0.00 0.00 179.25 179.56 2k5e h GLY 23 N 0.27 0.72 0.75 0.00 0.00 -1.52 -2.37 103.07 100.92 2k5e h GLY 23 Ca 0.24 -0.54 0.01 0.00 0.00 0.00 0.00 47.33 47.04 2k5e h GLY 23 CO -0.29 0.50 -0.13 -2.08 0.00 0.00 0.00 176.54 174.54 2k5e h VAL 24 N 0.48 0.68 -0.81 4.60 2.07 -0.89 -0.24 116.25 122.15 2k5e h VAL 24 Ca 0.10 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.66 2k5e h VAL 24 Cb 0.49 0.68 -0.05 0.00 -1.52 0.00 0.00 31.29 30.89 2k5e h VAL 24 CO 0.02 0.00 0.51 -0.07 0.02 0.00 0.00 177.57 178.05 2k5e h LEU 25 N -0.26 0.82 -1.19 2.57 3.38 -0.95 -0.68 115.31 119.00 2k5e h LEU 25 Ca 0.03 0.00 0.01 0.00 0.09 0.00 0.00 57.88 58.01 2k5e h LEU 25 Cb 0.28 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 40.82 2k5e h LEU 25 CO -0.08 0.56 0.55 0.03 0.09 0.00 0.00 178.44 179.58 2k5e h ARG 26 N 0.97 1.07 -0.04 1.13 3.08 -1.08 0.30 114.38 119.80 2k5e h ARG 26 Ca 0.33 -0.06 -0.06 0.00 0.07 0.00 0.00 59.98 60.26 2k5e h ARG 26 Cb 0.06 -0.24 -0.01 0.00 0.08 0.00 0.00 29.97 29.86 2k5e h ARG 26 CO -0.13 0.71 -0.24 1.03 -1.07 0.00 0.00 179.97 180.27 2k5e h SER 27 N 1.10 0.06 -0.47 7.04 0.87 0.34 -2.39 113.55 120.11 2k5e h SER 27 Ca 0.31 -0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.86 2k5e h SER 27 Cb -0.09 -0.02 0.00 0.00 -0.44 0.00 0.00 62.40 61.85 2k5e h SER 27 CO -0.07 0.31 0.00 -1.22 -0.53 0.00 0.00 176.83 175.32 2k5e n TYR 28 N -4.23 0.95 -1.75 2.24 4.02 -0.41 -4.92 117.16 113.06 2k5e n TYR 28 Ca -0.02 -0.40 -0.13 0.00 -0.01 0.00 0.00 57.90 57.35 2k5e n TYR 28 Cb 0.31 -0.14 -0.03 0.00 -0.02 0.00 0.00 39.34 39.46 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 0.79 -4.35 -1.09 7.72 5.15 -0.75 -4.88 115.26 117.84 2k5e n ASN 29 Ca 0.18 0.18 0.08 0.00 -0.60 0.00 0.00 54.58 54.42 2k5e n ASN 29 Cb 0.60 -3.23 0.27 0.00 -0.53 0.00 0.00 39.78 36.89 2k5e n ASN 29 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 2k5e n LEU 30 N -1.64 3.95 0.21 1.20 4.77 0.94 -4.66 117.00 121.76 2k5e n LEU 30 Ca -0.14 -2.48 0.15 0.00 -0.03 0.00 0.00 56.01 53.51 2k5e n LEU 30 Cb 0.51 -0.46 0.66 0.00 -2.33 0.00 0.00 43.42 41.80 2k5e n LEU 30 CO 0.19 0.75 0.94 1.23 -1.33 0.00 0.00 177.39 179.16 2k5e h GLY 31 N 2.78 0.00 1.83 -0.72 0.00 -1.81 -2.87 103.07 102.29 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 0.16 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.70 2k5e h ILE 33 N 0.00 0.67 -0.42 0.00 3.07 -1.89 -0.82 117.51 118.12 2k5e h ILE 33 Ca 0.00 -0.21 -0.10 0.00 1.55 0.00 0.00 64.86 66.11 2k5e h ILE 33 Cb 0.26 0.02 -0.01 0.00 -0.27 0.00 0.00 36.82 36.82 2k5e h ILE 33 CO 0.00 0.11 -0.11 1.23 -1.05 0.00 0.00 178.15 178.33 2k5e h GLY 34 N 0.60 0.89 1.24 0.16 0.00 -1.87 0.14 103.07 104.23 2k5e h GLY 34 Ca 0.50 -0.74 -0.19 0.00 0.00 0.00 0.00 47.33 46.89 2k5e h GLY 34 CO -0.40 0.68 -0.62 0.00 0.00 0.00 0.00 176.54 176.20 2k5e n MET 36 N -3.97 0.17 -1.36 0.00 0.00 -0.40 -4.94 117.12 106.62 2k5e n MET 36 Ca -0.05 -0.07 -0.00 0.00 0.00 0.00 0.00 57.70 57.58 2k5e n MET 36 Cb 0.66 -1.50 -0.00 0.00 0.00 0.00 0.00 33.22 32.38 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 1.45 0.38 0.32 3.17 0.00 -0.65 -4.93 105.19 104.94 2k5e n GLY 37 Ca 0.08 -1.02 0.00 0.00 0.00 0.00 0.00 46.02 45.08 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 0.29 2.33 0.28 4.61 0.00 0.39 -3.89 120.51 124.51 2k5e n ALA 38 Ca -0.00 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.58 2k5e n ALA 38 Cb 0.18 -1.00 0.86 0.00 0.00 0.00 0.00 19.45 19.50 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 0.09 0.00 -0.01 0.00 1.08 -1.92 -1.58 115.11 112.76 2k5e h GLN 39 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 2k5e h GLN 39 Cb 0.28 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.71 2k5e h GLN 39 CO 0.00 0.00 -0.05 0.09 -0.95 0.00 0.00 178.83 177.92 2k5e n ASN 40 N -3.94 1.06 -4.80 1.46 3.02 -1.25 -2.89 115.26 107.92 2k5e n ASN 40 Ca -0.02 -1.22 -0.37 0.00 -0.03 0.00 0.00 54.58 52.94 2k5e n ASN 40 Cb 0.13 0.01 -0.06 0.00 -0.61 0.00 0.00 39.78 39.24 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 -2.13 3.96 0.57 3.52 2.12 -0.60 -4.95 118.70 121.21 2k5e s GLU 41 Ca 0.37 0.16 -0.18 0.00 0.36 0.00 0.00 54.97 55.68 2k5e s GLU 41 Cb 0.21 -3.30 -0.04 0.00 0.26 0.00 0.00 34.13 31.25 2k5e s GLU 41 CO 0.38 0.51 1.12 -1.12 -0.54 0.00 0.00 175.26 175.61 2k5e s SER 42 N -0.38 5.59 0.16 -1.70 0.01 -1.26 -1.41 113.70 114.72 2k5e s SER 42 Ca 0.19 2.12 -0.18 0.00 1.31 0.00 0.00 55.95 59.38 2k5e s SER 42 Cb -0.14 -2.57 0.07 0.00 0.21 0.00 0.00 66.02 63.59 2k5e s SER 42 CO 0.07 -1.30 1.67 -0.07 0.41 0.00 0.00 173.24 174.02 2k5e h LEU 43 N 0.91 -0.40 -0.70 2.44 3.38 -0.94 -1.49 115.31 118.50 2k5e h LEU 43 Ca -0.49 0.12 -0.04 0.00 0.09 0.00 0.00 57.88 57.56 2k5e h LEU 43 Cb 1.26 0.25 -0.03 0.00 0.09 0.00 0.00 40.66 42.22 2k5e h LEU 43 CO 0.56 -0.15 0.29 -0.08 0.09 0.00 0.00 178.44 179.16 2k5e h GLU 44 N -0.03 1.04 0.22 1.13 4.81 -1.82 0.88 114.58 120.81 2k5e h GLU 44 Ca 0.18 -0.18 0.01 0.00 -0.13 0.00 0.00 59.36 59.23 2k5e h GLU 44 Cb 0.30 -0.17 -0.02 0.00 0.63 0.00 0.00 28.75 29.48 2k5e h GLU 44 CO -0.39 0.85 -0.26 1.96 -0.73 0.00 0.00 179.01 180.44 2k5e h GLN 45 N 1.00 -0.51 -0.69 1.92 4.20 -1.65 -1.73 115.11 117.64 2k5e h GLN 45 Ca 0.24 0.03 -0.07 0.00 0.06 0.00 0.00 58.65 58.91 2k5e h GLN 45 Cb 0.19 0.12 -0.03 0.00 0.30 0.00 0.00 27.48 28.06 2k5e h GLN 45 CO -0.02 -0.34 0.15 0.78 -0.67 0.00 0.00 178.83 178.73 2k5e h GLY 46 N -0.53 1.20 0.54 3.46 0.00 -1.19 -1.55 103.07 105.00 2k5e h GLY 46 Ca 0.00 -0.77 -0.02 0.00 0.00 0.00 0.00 47.33 46.55 2k5e h GLY 46 CO -0.09 0.71 -0.51 0.00 0.00 0.00 0.00 176.54 176.65 2k5e h ALA 47 N 1.07 -1.17 -0.42 3.60 0.00 -0.62 -1.01 119.26 120.71 2k5e h ALA 47 Ca 0.21 -0.20 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 2k5e h ALA 47 Cb 0.39 0.73 -0.02 0.00 0.00 0.00 0.00 17.79 18.89 2k5e h ALA 47 CO 0.01 -1.20 0.10 -0.91 0.00 0.00 0.00 179.25 177.24 2k5e h ASN 48 N -1.04 0.58 0.51 0.00 2.35 -1.20 0.31 115.58 117.08 2k5e h ASN 48 Ca -0.07 -0.09 0.00 0.00 -0.55 0.00 0.00 56.30 55.59 2k5e h ASN 48 Cb 0.90 -0.15 0.00 0.00 0.05 0.00 0.00 38.32 39.12 2k5e h ASN 48 CO -0.05 0.58 0.00 0.00 -1.65 0.00 0.00 177.43 176.31 2k5e h ALA 49 N 1.50 1.00 -0.27 -0.83 0.00 -0.98 -1.82 119.26 117.86 2k5e h ALA 49 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.05 2k5e h ALA 49 Cb 0.24 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.03 2k5e h ALA 49 CO -0.00 0.00 0.00 0.72 0.00 0.00 0.00 179.25 179.97 2k5e n HIS 50 N -2.55 0.39 -2.85 0.00 8.25 -0.41 -4.99 115.22 113.05 2k5e n HIS 50 Ca 0.00 -0.53 -0.08 0.00 -0.26 0.00 0.00 57.72 56.86 2k5e n HIS 50 Cb 0.17 -0.05 0.03 0.00 1.12 0.00 0.00 29.99 31.26 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 0.23 0.44 3.25 -1.41 0.00 -0.68 -5.05 105.19 101.97 2k5e n GLY 51 Ca 0.10 -0.36 -0.21 0.00 0.00 0.00 0.00 46.02 45.54 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 -3.13 2.32 -0.33 0.99 1.43 0.99 -4.97 118.68 115.97 2k5e s LEU 52 Ca 0.19 -0.70 -0.21 0.00 -1.03 0.00 0.00 54.13 52.38 2k5e s LEU 52 Cb -0.08 -0.72 -0.00 0.00 0.03 0.00 0.00 46.19 45.41 2k5e s LEU 52 CO 0.24 -0.02 0.67 0.21 0.23 0.00 0.00 176.35 177.69 2k5e s ASN 53 N -1.99 6.50 0.41 2.29 3.84 -1.26 -2.95 114.94 121.77 2k5e s ASN 53 Ca 0.05 0.36 0.11 0.00 0.21 0.00 0.00 52.86 53.59 2k5e s ASN 53 Cb -0.09 -2.35 0.93 0.00 -0.55 0.00 0.00 41.25 39.19 2k5e s ASN 53 CO 0.04 -0.57 1.96 1.62 -2.79 0.00 0.00 177.10 177.36 2k5e h VAL 54 N 5.62 0.93 -0.77 -5.21 3.04 -1.90 -1.98 116.25 115.98 2k5e h VAL 54 Ca -0.26 -0.18 -0.02 0.00 -1.01 0.00 0.00 66.70 65.23 2k5e h VAL 54 Cb 1.11 0.35 -0.04 0.00 -2.01 0.00 0.00 31.29 30.70 2k5e h VAL 54 CO 0.84 0.10 0.41 -0.33 -1.01 0.00 0.00 177.57 177.58 2k5e h GLU 55 N 0.53 1.08 -0.43 4.17 5.08 -1.99 0.16 114.58 123.18 2k5e h GLU 55 Ca 0.30 -0.13 -0.10 0.00 -1.00 0.00 0.00 59.36 58.43 2k5e h GLU 55 Cb 0.47 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 29.49 2k5e h GLU 55 CO -0.09 0.80 -0.14 0.22 -1.00 0.00 0.00 179.01 178.79 2k5e h ASP 56 N 1.08 0.79 -0.17 1.42 3.58 -1.78 -2.81 116.42 118.53 2k5e h ASP 56 Ca 0.27 -0.25 -0.05 0.00 0.42 0.00 0.00 57.03 57.42 2k5e h ASP 56 Cb 0.04 -0.21 -0.00 0.00 1.72 0.00 0.00 39.33 40.88 2k5e h ASP 56 CO -0.04 0.94 -0.10 0.40 -2.88 0.00 0.00 179.24 177.55 2k5e h ILE 57 N 0.71 1.32 -0.55 2.25 2.04 -1.22 -3.15 117.51 118.91 2k5e h ILE 57 Ca 0.11 -1.19 0.10 0.00 1.00 0.00 0.00 64.86 64.89 2k5e h ILE 57 Cb 0.63 1.74 -0.03 0.00 -0.74 0.00 0.00 36.82 38.42 2k5e h ILE 57 CO 0.04 0.35 0.37 -0.07 0.00 0.00 0.00 178.15 178.85 2k5e h LEU 58 N 0.04 0.29 0.21 1.44 3.38 -0.65 -1.73 115.31 118.30 2k5e h LEU 58 Ca 0.04 0.01 0.01 0.00 0.09 0.00 0.00 57.88 58.02 2k5e h LEU 58 Cb 0.60 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 41.26 2k5e h LEU 58 CO 0.03 0.18 -0.34 -0.09 0.09 0.00 0.00 178.44 178.31 2k5e h ARG 59 N 0.32 -0.59 -0.52 1.13 2.43 -1.45 0.41 114.38 116.11 2k5e h ARG 59 Ca 0.25 0.04 -0.10 0.00 -0.81 0.00 0.00 59.98 59.37 2k5e h ARG 59 Cb 0.57 0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 30.24 2k5e h ARG 59 CO -0.06 -0.40 -0.06 0.22 -1.51 0.00 0.00 179.97 178.17 2k5e h ASP 60 N -0.62 0.91 0.14 -3.80 1.82 -1.48 -1.12 116.42 112.27 2k5e h ASP 60 Ca 0.01 -0.26 -0.01 0.00 -0.39 0.00 0.00 57.03 56.38 2k5e h ASP 60 Cb 0.61 -0.24 0.00 0.00 0.68 0.00 0.00 39.33 40.38 2k5e h ASP 60 CO -0.14 1.00 -0.07 -0.07 -1.61 0.00 0.00 179.24 178.35 2k5e h LEU 61 N 0.84 -0.16 -1.41 2.28 3.38 -1.17 -2.73 115.31 116.34 2k5e h LEU 61 Ca 0.15 -0.07 -0.06 0.00 0.09 0.00 0.00 57.88 57.99 2k5e h LEU 61 Cb 0.58 0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.36 2k5e h LEU 61 CO 0.03 -0.04 -0.30 0.78 0.09 0.00 0.00 178.44 179.01 2k5e h ASN 62 N -0.27 0.00 -0.10 -0.43 2.35 -0.87 -2.20 115.58 114.05 2k5e h ASN 62 Ca -0.02 0.00 0.03 0.00 -0.55 0.00 0.00 56.30 55.76 2k5e h ASN 62 Cb 0.22 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.58 2k5e h ASN 62 CO 0.03 0.30 0.09 0.00 -1.65 0.00 0.00 177.43 176.19 2k5e h ALA 63 N 1.70 1.94 -0.05 -0.83 0.00 -0.90 0.18 119.26 121.31 2k5e h ALA 63 Ca -0.00 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 2k5e h ALA 63 Cb 0.54 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 2k5e h ALA 63 CO 0.04 -0.14 -0.13 -0.07 0.00 0.00 0.00 179.25 178.95 2k5e h LEU 64 N 0.00 0.07 0.09 0.00 3.38 -1.18 0.27 115.31 117.93 2k5e h LEU 64 Ca 0.05 -0.01 -0.35 0.00 0.09 0.00 0.00 57.88 57.66 2k5e h LEU 64 Cb 0.22 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 40.93 2k5e h LEU 64 CO -0.00 0.21 -1.93 0.00 0.09 0.00 0.00 178.44 176.81 2k5e n ALA 65 N -2.50 0.91 0.02 1.53 0.00 -0.12 -4.50 120.51 115.85 2k5e n ALA 65 Ca -0.02 -0.62 -0.18 0.00 0.00 0.00 0.00 53.44 52.62 2k5e n ALA 65 Cb 0.23 -0.60 -0.12 0.00 0.00 0.00 0.00 19.45 18.95 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 -0.13 0.49 0.00 0.00 3.38 -1.10 -3.47 115.31 114.48 2k5e h LEU 66 Ca -0.43 -0.82 0.00 0.00 0.09 0.00 0.00 57.88 56.72 2k5e h LEU 66 Cb 1.90 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 42.49 2k5e h LEU 66 CO 0.02 1.26 0.00 -0.62 0.09 0.00 0.00 178.44 179.18 2k5e n GLU 67 N -4.21 0.00 -1.63 1.13 1.02 0.93 -4.80 120.64 113.10 2k5e n GLU 67 Ca -0.11 0.00 -0.02 0.00 -0.02 0.00 0.00 57.16 57.01 2k5e n GLU 67 Cb 0.71 0.00 -0.00 0.00 -0.02 0.00 0.00 31.44 32.12 2k5e n GLU 67 CO 0.00 0.00 0.00 -2.39 1.18 0.00 0.00 177.13 175.92 2k5e n HIS 68 N 0.00 -1.33 -3.69 -0.32 1.44 -1.26 -4.88 115.22 105.18 2k5e n HIS 68 Ca 0.00 0.00 -0.39 0.00 -2.01 0.00 0.00 57.72 55.32 2k5e n HIS 68 Cb 0.00 -1.20 -0.11 0.00 0.12 0.00 0.00 29.99 28.80 2k5e n HIS 68 CO 0.00 0.00 0.00 -1.58 -2.81 0.00 0.00 176.34 171.95 2k5e s HIS 69 N -1.51 3.35 0.48 -1.40 5.04 -1.26 -5.08 115.29 114.91 2k5e s HIS 69 Ca 0.00 -1.65 0.07 0.00 -1.54 0.00 0.00 55.06 51.94 2k5e s HIS 69 Cb 0.00 -2.75 0.01 0.00 0.04 0.00 0.00 32.58 29.87 2k5e s HIS 69 CO 0.00 -0.83 0.37 -3.38 -2.34 0.00 0.00 174.74 168.56 2k5e s HIS 70 N 1.37 2.13 -0.21 3.88 -3.43 -1.26 -5.13 115.29 112.64 2k5e s HIS 70 Ca 0.02 -0.69 0.02 0.00 -0.80 0.00 0.00 55.06 53.61 2k5e s HIS 70 Cb -0.22 -2.01 0.04 0.00 -1.43 0.00 0.00 32.58 28.96 2k5e s HIS 70 CO 0.01 -0.27 -0.14 -1.58 -2.00 0.00 0.00 174.74 170.76 2k5e s HIS 71 N -2.65 2.87 0.75 0.38 5.04 -1.26 -5.13 115.29 115.30 2k5e s HIS 71 Ca 0.40 -1.88 -0.06 0.00 -1.54 0.00 0.00 55.06 51.98 2k5e s HIS 71 Cb -0.02 -1.86 0.11 0.00 0.04 0.00 0.00 32.58 30.86 2k5e s HIS 71 CO 0.24 -0.82 1.05 -3.38 -2.34 0.00 0.00 174.74 169.49 2k5e s HIS 72 N 1.25 2.17 -2.00 3.88 -3.43 -1.26 -5.35 115.29 110.54 2k5e s HIS 72 Ca -0.02 0.13 0.02 0.00 -0.80 0.00 0.00 55.06 54.40 2k5e s HIS 72 Cb -0.16 -3.29 0.14 0.00 -1.43 0.00 0.00 32.58 27.84 2k5e s HIS 72 CO -0.09 -1.73 0.63 -2.39 -2.00 0.00 0.00 174.74 169.16