#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 2.44 0.89 2.03 -1.32 -1.26 -5.03 115.64 113.39 2k5e s THR 2 Ca 0.00 0.19 -0.13 0.00 -1.21 0.00 0.00 61.69 60.54 2k5e s THR 2 Cb 0.00 -2.63 0.16 0.00 -1.51 0.00 0.00 72.50 68.52 2k5e s THR 2 CO 0.00 -0.14 1.24 -1.10 -2.21 0.00 0.00 174.62 172.42 2k5e s GLN 3 N -4.18 1.13 0.03 7.08 -0.21 -1.26 -5.01 119.66 117.24 2k5e s GLN 3 Ca 0.71 -0.34 0.15 0.00 0.02 0.00 0.00 55.36 55.90 2k5e s GLN 3 Cb -0.26 -1.93 -0.17 0.00 1.00 0.00 0.00 33.01 31.65 2k5e s GLN 3 CO 0.49 -2.07 0.78 0.87 -2.12 0.00 0.00 175.29 173.24 2k5e h LYS 4 N -1.35 0.00 -4.41 2.91 1.79 -1.95 -3.44 116.57 110.12 2k5e h LYS 4 Ca -0.44 0.00 -0.58 0.00 -2.18 0.00 0.00 60.65 57.45 2k5e h LYS 4 Cb 1.26 0.00 -0.37 0.00 -1.58 0.00 0.00 32.23 31.55 2k5e h LYS 4 CO 0.46 0.37 -0.81 -0.06 -1.08 0.00 0.00 179.45 178.33 2k5e s PHE 5 N -2.81 1.94 0.25 -1.35 0.08 -1.26 -5.05 117.98 109.78 2k5e s PHE 5 Ca -0.03 -1.16 0.11 0.00 0.12 0.00 0.00 56.93 55.96 2k5e s PHE 5 Cb 0.08 -1.45 -0.05 0.00 -0.57 0.00 0.00 43.02 41.04 2k5e s PHE 5 CO 0.82 -0.64 -0.18 -0.08 -0.10 0.00 0.00 175.22 175.03 2k5e s THR 6 N 1.56 2.24 0.57 0.64 -1.32 -1.26 -4.84 115.64 113.22 2k5e s THR 6 Ca 0.02 -2.33 0.25 0.00 -1.21 0.00 0.00 61.69 58.42 2k5e s THR 6 Cb -0.14 -2.21 0.33 0.00 -1.51 0.00 0.00 72.50 68.97 2k5e s THR 6 CO -0.09 -0.45 2.22 0.07 -2.21 0.00 0.00 174.62 174.16 2k5e h LYS 7 N 2.40 0.00 -0.52 7.08 2.10 -1.97 -2.88 116.57 122.78 2k5e h LYS 7 Ca -0.40 0.00 -0.02 0.00 -2.00 0.00 0.00 60.65 58.23 2k5e h LYS 7 Cb 1.25 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 32.55 2k5e h LYS 7 CO 0.60 0.00 0.23 0.22 -2.00 0.00 0.00 179.45 178.50 2k5e h ASP 8 N 0.00 0.70 -4.18 7.07 3.58 -1.96 -2.93 116.42 118.70 2k5e h ASP 8 Ca -0.00 -0.15 -0.49 0.00 0.42 0.00 0.00 57.03 56.81 2k5e h ASP 8 Cb 0.00 -0.18 0.07 0.00 1.72 0.00 0.00 39.33 40.94 2k5e h ASP 8 CO 0.00 0.65 0.38 0.00 -2.88 0.00 0.00 179.24 177.39 2k5e s MET 9 N -5.63 3.28 0.63 0.28 0.23 -1.09 -4.70 119.30 112.30 2k5e s MET 9 Ca -0.13 1.26 -0.08 0.00 -1.03 0.00 0.00 55.69 55.71 2k5e s MET 9 Cb 0.12 -2.02 0.00 0.00 -1.53 0.00 0.00 34.83 31.40 2k5e s MET 9 CO 0.77 -0.85 0.98 0.95 -2.03 0.00 0.00 175.02 174.84 2k5e s THR 10 N -2.37 3.76 0.25 3.16 -4.23 -1.26 -1.65 115.64 113.29 2k5e s THR 10 Ca 0.65 0.27 -0.04 0.00 -1.18 0.00 0.00 61.69 61.39 2k5e s THR 10 Cb -0.17 -3.52 0.23 0.00 1.34 0.00 0.00 72.50 70.37 2k5e s THR 10 CO 0.36 -0.61 1.82 -0.26 -0.54 0.00 0.00 174.62 175.39 2k5e h PHE 11 N -0.34 0.93 -0.01 3.99 0.04 -1.35 -1.29 116.94 118.91 2k5e h PHE 11 Ca -0.45 0.03 0.02 0.00 2.80 0.00 0.00 57.97 60.36 2k5e h PHE 11 Cb 1.25 -0.29 -0.02 0.00 2.20 0.00 0.00 35.95 39.09 2k5e h PHE 11 CO 0.51 0.40 -0.09 0.00 -0.60 0.00 0.00 178.31 178.52 2k5e h ALA 12 N 1.46 -0.09 -0.64 2.45 0.00 -1.48 -0.84 119.26 120.12 2k5e h ALA 12 Ca 0.41 0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.35 2k5e h ALA 12 Cb 0.35 0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.25 2k5e h ALA 12 CO -0.24 -0.58 0.41 1.96 0.00 0.00 0.00 179.25 180.81 2k5e h GLN 13 N -0.15 0.80 -0.05 0.00 4.20 -1.72 -0.86 115.11 117.33 2k5e h GLN 13 Ca 0.04 -0.05 0.02 0.00 0.06 0.00 0.00 58.65 58.72 2k5e h GLN 13 Cb 0.19 -0.18 -0.02 0.00 0.30 0.00 0.00 27.48 27.77 2k5e h GLN 13 CO -0.09 0.53 -0.06 0.00 -0.67 0.00 0.00 178.83 178.54 2k5e h ALA 14 N 1.26 -0.01 -0.75 3.87 0.00 -1.00 0.61 119.26 123.24 2k5e h ALA 14 Ca 0.25 0.02 0.02 0.00 0.00 0.00 0.00 54.91 55.20 2k5e h ALA 14 Cb -0.03 0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.84 2k5e h ALA 14 CO -0.08 -0.53 0.50 -0.07 0.00 0.00 0.00 179.25 179.06 2k5e h LEU 15 N -0.08 0.83 -0.36 0.00 3.38 -0.86 -0.95 115.31 117.28 2k5e h LEU 15 Ca 0.04 -0.02 -0.08 0.00 0.09 0.00 0.00 57.88 57.92 2k5e h LEU 15 Cb 0.14 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 2k5e h LEU 15 CO -0.10 0.59 -0.38 1.56 0.09 0.00 0.00 178.44 180.20 2k5e h GLN 16 N 0.97 0.00 0.10 1.13 1.08 -0.75 -2.76 115.11 114.88 2k5e h GLN 16 Ca 0.29 0.00 -0.27 0.00 -1.45 0.00 0.00 58.65 57.22 2k5e h GLN 16 Cb -0.04 0.00 0.01 0.00 -0.05 0.00 0.00 27.48 27.40 2k5e h GLN 16 CO -0.07 0.38 -1.17 1.15 -0.95 0.00 0.00 178.83 178.17 2k5e h THR 17 N 0.00 1.40 -1.75 -0.54 2.02 -0.26 -3.44 112.91 110.34 2k5e h THR 17 Ca -0.00 -2.70 -0.12 0.00 0.77 0.00 0.00 66.41 64.35 2k5e h THR 17 Cb 1.15 2.74 -0.28 0.00 -1.74 0.00 0.00 68.15 70.02 2k5e h THR 17 CO 0.05 0.80 -0.45 -1.00 0.37 0.00 0.00 175.52 175.29 2k5e s HIS 18 N -2.91 -0.95 0.58 3.16 3.76 -0.42 -5.02 115.29 113.48 2k5e s HIS 18 Ca -0.06 0.92 0.29 0.00 -0.15 0.00 0.00 55.06 56.05 2k5e s HIS 18 Cb 0.07 0.08 1.48 0.00 1.11 0.00 0.00 32.58 35.32 2k5e s HIS 18 CO 0.90 -0.77 1.91 -1.35 -0.85 0.00 0.00 174.74 174.58 2k5e h PRO 19 N 8.15 0.00 -0.01 8.40 0.11 -1.74 0.40 132.00 147.32 2k5e h PRO 19 Ca -0.19 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.92 2k5e h PRO 19 Cb 1.15 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.26 2k5e h PRO 19 CO 0.27 0.00 0.01 0.78 -0.21 0.00 0.00 178.00 178.85 2k5e h GLY 20 N 0.00 0.00 1.07 -0.55 0.00 -1.93 -1.65 103.07 100.01 2k5e h GLY 20 Ca 0.22 0.00 0.12 0.00 0.00 0.00 0.00 47.33 47.67 2k5e h GLY 20 CO -0.00 0.00 0.36 -2.08 0.00 0.00 0.00 176.54 174.82 2k5e h VAL 21 N 0.00 0.83 -0.15 4.60 2.07 -1.21 -2.05 116.25 120.34 2k5e h VAL 21 Ca 0.00 -0.07 0.04 0.00 0.82 0.00 0.00 66.70 67.50 2k5e h VAL 21 Cb 0.02 0.62 -0.04 0.00 -1.52 0.00 0.00 31.29 30.37 2k5e h VAL 21 CO -0.00 0.04 -0.09 0.00 0.02 0.00 0.00 177.57 177.54 2k5e h ALA 22 N 1.74 0.04 -0.48 1.67 0.00 -1.48 0.97 119.26 121.72 2k5e h ALA 22 Ca 0.24 0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.20 2k5e h ALA 22 Cb 0.71 0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.68 2k5e h ALA 22 CO -0.04 -0.53 0.21 0.78 0.00 0.00 0.00 179.25 179.67 2k5e h GLY 23 N -0.08 0.72 0.66 0.00 0.00 -1.54 -0.06 103.07 102.76 2k5e h GLY 23 Ca 0.09 -0.33 -0.01 0.00 0.00 0.00 0.00 47.33 47.08 2k5e h GLY 23 CO -0.20 0.32 -0.08 -2.08 0.00 0.00 0.00 176.54 174.49 2k5e h VAL 24 N 0.67 0.95 -0.75 4.60 2.07 -1.20 0.29 116.25 122.88 2k5e h VAL 24 Ca 0.17 -0.68 0.08 0.00 0.82 0.00 0.00 66.70 67.09 2k5e h VAL 24 Cb 0.10 1.35 -0.07 0.00 -1.52 0.00 0.00 31.29 31.16 2k5e h VAL 24 CO -0.02 0.15 0.41 -0.07 0.02 0.00 0.00 177.57 178.07 2k5e h LEU 25 N -0.57 0.59 -0.81 2.57 3.38 -0.66 -0.12 115.31 119.69 2k5e h LEU 25 Ca -0.02 0.04 0.02 0.00 0.09 0.00 0.00 57.88 58.01 2k5e h LEU 25 Cb 0.43 -0.07 -0.04 0.00 0.09 0.00 0.00 40.66 41.07 2k5e h LEU 25 CO 0.04 0.35 0.53 0.03 0.09 0.00 0.00 178.44 179.48 2k5e h ARG 26 N 0.72 1.03 -0.60 1.13 3.08 -0.98 0.50 114.38 119.26 2k5e h ARG 26 Ca 0.35 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 60.34 2k5e h ARG 26 Cb 0.30 -0.23 -0.03 0.00 0.08 0.00 0.00 29.97 30.09 2k5e h ARG 26 CO -0.23 0.68 0.37 1.03 -1.07 0.00 0.00 179.97 180.75 2k5e h SER 27 N 1.06 0.70 -0.80 7.04 0.87 0.74 -2.21 113.55 120.95 2k5e h SER 27 Ca 0.31 -0.03 -0.31 0.00 -1.23 0.00 0.00 61.79 60.53 2k5e h SER 27 Cb -0.07 -0.18 -0.18 0.00 -0.44 0.00 0.00 62.40 61.53 2k5e h SER 27 CO -0.08 0.53 0.39 -1.22 -0.53 0.00 0.00 176.83 175.91 2k5e n TYR 28 N -4.43 2.59 -1.14 2.24 4.02 -0.23 -4.92 117.16 115.30 2k5e n TYR 28 Ca 0.06 -1.37 -0.05 0.00 -0.01 0.00 0.00 57.90 56.53 2k5e n TYR 28 Cb 0.06 -0.76 -0.02 0.00 -0.02 0.00 0.00 39.34 38.60 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 -0.43 -5.37 -0.43 7.72 2.85 -0.80 -4.81 115.26 113.99 2k5e n ASN 29 Ca 0.46 0.12 0.12 0.00 -0.11 0.00 0.00 54.58 55.16 2k5e n ASN 29 Cb 1.45 -3.29 0.48 0.00 1.24 0.00 0.00 39.78 39.66 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 -0.54 1.31 0.20 1.20 4.77 0.17 -4.25 117.00 119.86 2k5e n LEU 30 Ca -0.05 -0.51 0.17 0.00 -0.03 0.00 0.00 56.01 55.60 2k5e n LEU 30 Cb 0.46 -0.05 0.82 0.00 -2.33 0.00 0.00 43.42 42.31 2k5e n LEU 30 CO 0.07 0.25 1.15 1.23 -1.33 0.00 0.00 177.39 178.77 2k5e h GLY 31 N 5.01 0.00 0.92 -0.72 0.00 -1.79 -1.56 103.07 104.93 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 0.77 0.06 0.00 3.07 -1.62 -1.97 117.51 117.82 2k5e h ILE 33 Ca 0.00 -0.04 -0.00 0.00 1.55 0.00 0.00 64.86 66.37 2k5e h ILE 33 Cb 0.00 0.65 0.00 0.00 -0.27 0.00 0.00 36.82 37.20 2k5e h ILE 33 CO 0.00 0.02 -0.03 1.23 -1.05 0.00 0.00 178.15 178.32 2k5e h GLY 34 N 0.12 -0.08 1.77 0.16 0.00 -1.84 0.33 103.07 103.52 2k5e h GLY 34 Ca 0.27 0.03 -0.02 0.00 0.00 0.00 0.00 47.33 47.61 2k5e h GLY 34 CO -0.03 -0.03 0.05 0.00 0.00 0.00 0.00 176.54 176.53 2k5e n MET 36 N -4.41 2.01 -1.55 0.00 0.00 -0.95 -4.96 117.12 107.26 2k5e n MET 36 Ca 0.00 -1.48 -0.14 0.00 0.00 0.00 0.00 57.70 56.08 2k5e n MET 36 Cb 0.15 -1.47 -0.05 0.00 0.00 0.00 0.00 33.22 31.85 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 1.27 1.18 0.40 3.17 0.00 -0.24 -4.87 105.19 106.09 2k5e n GLY 37 Ca 0.17 -0.35 0.00 0.00 0.00 0.00 0.00 46.02 45.84 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 0.76 2.12 0.10 4.61 0.00 0.98 -3.88 120.51 125.20 2k5e n ALA 38 Ca -0.14 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.35 2k5e n ALA 38 Cb 0.49 -1.00 0.51 0.00 0.00 0.00 0.00 19.45 19.45 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 0.22 0.33 -0.40 0.00 1.08 -1.90 -2.03 115.11 112.41 2k5e h GLN 39 Ca 0.00 -0.02 0.00 0.00 -1.45 0.00 0.00 58.65 57.18 2k5e h GLN 39 Cb 0.29 -0.07 0.00 0.00 -0.05 0.00 0.00 27.48 27.65 2k5e h GLN 39 CO 0.00 0.22 0.00 0.09 -0.95 0.00 0.00 178.83 178.19 2k5e n ASN 40 N -4.50 2.40 -4.77 1.46 3.02 -1.25 -1.29 115.26 110.32 2k5e n ASN 40 Ca 0.01 -1.94 -0.34 0.00 -0.03 0.00 0.00 54.58 52.28 2k5e n ASN 40 Cb 0.08 -0.26 -0.08 0.00 -0.61 0.00 0.00 39.78 38.91 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 -1.48 3.09 0.60 3.52 2.12 -0.76 -4.93 118.70 120.86 2k5e s GLU 41 Ca 0.32 -0.42 -0.18 0.00 0.36 0.00 0.00 54.97 55.05 2k5e s GLU 41 Cb 0.17 -2.89 -0.03 0.00 0.26 0.00 0.00 34.13 31.64 2k5e s GLU 41 CO 0.23 0.68 1.19 -1.12 -0.54 0.00 0.00 175.26 175.70 2k5e s SER 42 N -1.41 5.20 0.19 -1.70 0.01 -1.26 -1.68 113.70 113.04 2k5e s SER 42 Ca 0.19 2.33 -0.14 0.00 1.31 0.00 0.00 55.95 59.65 2k5e s SER 42 Cb -0.12 -2.59 0.19 0.00 0.21 0.00 0.00 66.02 63.71 2k5e s SER 42 CO 0.09 -1.58 1.67 -0.07 0.41 0.00 0.00 173.24 173.76 2k5e h LEU 43 N 0.81 -0.31 -0.94 2.44 3.38 -1.12 -1.92 115.31 117.65 2k5e h LEU 43 Ca -0.50 0.13 -0.01 0.00 0.09 0.00 0.00 57.88 57.59 2k5e h LEU 43 Cb 1.29 0.25 -0.04 0.00 0.09 0.00 0.00 40.66 42.25 2k5e h LEU 43 CO 0.55 -0.11 0.51 -0.08 0.09 0.00 0.00 178.44 179.40 2k5e h GLU 44 N 0.07 1.25 0.26 1.13 4.81 -1.86 -0.63 114.58 119.61 2k5e h GLU 44 Ca 0.26 -0.13 -0.01 0.00 -0.13 0.00 0.00 59.36 59.34 2k5e h GLU 44 Cb 0.39 -0.25 0.00 0.00 0.63 0.00 0.00 28.75 29.52 2k5e h GLU 44 CO -0.46 0.90 -0.12 1.96 -0.73 0.00 0.00 179.01 180.55 2k5e h GLN 45 N 1.26 -0.34 -0.76 1.92 4.20 -1.67 -0.18 115.11 119.54 2k5e h GLN 45 Ca 0.32 0.02 -0.01 0.00 0.06 0.00 0.00 58.65 59.04 2k5e h GLN 45 Cb -0.00 0.08 -0.04 0.00 0.30 0.00 0.00 27.48 27.82 2k5e h GLN 45 CO -0.05 -0.12 0.44 0.78 -0.67 0.00 0.00 178.83 179.20 2k5e h GLY 46 N -0.50 1.12 0.91 3.46 0.00 -1.36 -0.27 103.07 106.44 2k5e h GLY 46 Ca -0.04 -0.48 0.01 0.00 0.00 0.00 0.00 47.33 46.82 2k5e h GLY 46 CO 0.06 0.46 0.04 0.00 0.00 0.00 0.00 176.54 177.10 2k5e h ALA 47 N 1.42 0.12 -0.62 3.60 0.00 -0.95 -2.47 119.26 120.37 2k5e h ALA 47 Ca 0.27 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.19 2k5e h ALA 47 Cb -0.00 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 2k5e h ALA 47 CO -0.05 -0.41 0.35 -0.91 0.00 0.00 0.00 179.25 178.23 2k5e h ASN 48 N 0.10 0.75 -0.25 0.00 -0.26 -0.61 0.12 115.58 115.42 2k5e h ASN 48 Ca 0.05 -0.05 0.05 0.00 -0.56 0.00 0.00 56.30 55.79 2k5e h ASN 48 Cb 0.03 -0.19 -0.01 0.00 -1.06 0.00 0.00 38.32 37.09 2k5e h ASN 48 CO -0.05 0.59 0.17 0.00 -1.06 0.00 0.00 177.43 177.08 2k5e h ALA 49 N 1.53 2.07 -0.48 -0.83 0.00 -0.62 0.43 119.26 121.37 2k5e h ALA 49 Ca 0.22 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.12 2k5e h ALA 49 Cb 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.77 2k5e h ALA 49 CO -0.04 -0.13 0.00 0.72 0.00 0.00 0.00 179.25 179.80 2k5e n HIS 50 N -4.49 0.62 -3.14 0.00 8.25 -0.62 -4.98 115.22 110.87 2k5e n HIS 50 Ca 0.02 -0.32 -0.14 0.00 -0.26 0.00 0.00 57.72 57.02 2k5e n HIS 50 Cb 0.24 -0.00 0.05 0.00 1.12 0.00 0.00 29.99 31.40 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 1.53 -0.00 3.31 -1.41 0.00 0.14 -5.04 105.19 103.72 2k5e n GLY 51 Ca 0.21 -0.10 -0.26 0.00 0.00 0.00 0.00 46.02 45.87 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 -4.92 2.26 -0.35 0.99 1.43 0.28 -4.98 118.68 113.39 2k5e s LEU 52 Ca 0.30 -0.66 -0.28 0.00 -1.03 0.00 0.00 54.13 52.46 2k5e s LEU 52 Cb -0.13 -1.05 0.02 0.00 0.03 0.00 0.00 46.19 45.06 2k5e s LEU 52 CO 0.46 0.14 1.05 0.21 0.23 0.00 0.00 176.35 178.43 2k5e s ASN 53 N -1.71 6.84 0.54 2.29 2.47 -1.26 -3.71 114.94 120.40 2k5e s ASN 53 Ca 0.09 0.88 0.23 0.00 0.42 0.00 0.00 52.86 54.48 2k5e s ASN 53 Cb -0.10 -2.53 1.43 0.00 -1.45 0.00 0.00 41.25 38.61 2k5e s ASN 53 CO 0.04 -0.92 2.09 1.62 -3.72 0.00 0.00 177.10 176.21 2k5e h VAL 54 N 5.81 0.76 -0.84 -5.21 3.04 -1.91 -2.59 116.25 115.30 2k5e h VAL 54 Ca -0.21 0.00 0.02 0.00 -1.01 0.00 0.00 66.70 65.49 2k5e h VAL 54 Cb 1.06 0.87 -0.05 0.00 -2.01 0.00 0.00 31.29 31.17 2k5e h VAL 54 CO 1.03 0.00 0.55 -0.33 -1.01 0.00 0.00 177.57 177.82 2k5e h GLU 55 N 0.00 1.08 -0.08 4.17 5.08 -1.99 0.16 114.58 122.99 2k5e h GLU 55 Ca 0.11 -0.06 -0.12 0.00 -1.00 0.00 0.00 59.36 58.28 2k5e h GLU 55 Cb 0.46 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 29.45 2k5e h GLU 55 CO -0.00 0.71 -0.50 0.22 -1.00 0.00 0.00 179.01 178.44 2k5e h ASP 56 N 1.11 0.23 -0.05 1.42 3.58 -1.89 -2.15 116.42 118.67 2k5e h ASP 56 Ca 0.32 -0.11 -0.02 0.00 0.42 0.00 0.00 57.03 57.64 2k5e h ASP 56 Cb -0.08 -0.07 -0.00 0.00 1.72 0.00 0.00 39.33 40.90 2k5e h ASP 56 CO -0.09 0.69 -0.03 0.40 -2.88 0.00 0.00 179.24 177.34 2k5e h ILE 57 N 0.17 1.34 -1.00 2.25 2.04 -1.40 -3.05 117.51 117.87 2k5e h ILE 57 Ca 0.01 -1.07 0.11 0.00 1.00 0.00 0.00 64.86 64.91 2k5e h ILE 57 Cb 0.94 1.95 -0.08 0.00 -0.74 0.00 0.00 36.82 38.89 2k5e h ILE 57 CO 0.08 0.29 0.63 -0.07 0.00 0.00 0.00 178.15 179.08 2k5e h LEU 58 N -0.29 0.94 -0.20 1.44 3.38 -0.64 0.43 115.31 120.38 2k5e h LEU 58 Ca 0.01 0.04 0.06 0.00 0.09 0.00 0.00 57.88 58.07 2k5e h LEU 58 Cb 0.48 -0.15 -0.06 0.00 0.09 0.00 0.00 40.66 41.01 2k5e h LEU 58 CO 0.01 0.52 -0.24 -0.09 0.09 0.00 0.00 178.44 178.73 2k5e h ARG 59 N 1.02 -0.26 -0.09 1.13 2.43 -1.37 0.93 114.38 118.17 2k5e h ARG 59 Ca 0.48 0.02 -0.11 0.00 -0.81 0.00 0.00 59.98 59.55 2k5e h ARG 59 Cb 0.43 0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 30.02 2k5e h ARG 59 CO -0.24 -0.18 -0.46 0.22 -1.51 0.00 0.00 179.97 177.80 2k5e h ASP 60 N -0.27 0.23 0.12 -3.80 3.58 -1.14 -1.78 116.42 113.35 2k5e h ASP 60 Ca 0.12 -0.10 -0.01 0.00 0.42 0.00 0.00 57.03 57.46 2k5e h ASP 60 Cb 0.46 -0.06 0.00 0.00 1.72 0.00 0.00 39.33 41.45 2k5e h ASP 60 CO -0.35 0.66 -0.06 -0.07 -2.88 0.00 0.00 179.24 176.54 2k5e h LEU 61 N 0.17 -0.14 -1.94 2.28 3.38 -0.62 -3.16 115.31 115.29 2k5e h LEU 61 Ca 0.01 -0.35 -0.02 0.00 0.09 0.00 0.00 57.88 57.61 2k5e h LEU 61 Cb 0.89 0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.67 2k5e h LEU 61 CO 0.07 0.31 -0.11 0.78 0.09 0.00 0.00 178.44 179.58 2k5e h ASN 62 N -0.61 0.00 -0.20 -0.43 2.35 -0.80 -1.22 115.58 114.66 2k5e h ASN 62 Ca -0.02 0.00 0.06 0.00 -0.55 0.00 0.00 56.30 55.79 2k5e h ASN 62 Cb 0.48 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.84 2k5e h ASN 62 CO 0.03 0.11 0.15 0.00 -1.65 0.00 0.00 177.43 176.07 2k5e h ALA 63 N 1.89 2.10 0.00 -0.83 0.00 -1.29 0.16 119.26 121.30 2k5e h ALA 63 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2k5e h ALA 63 Cb 0.32 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.13 2k5e h ALA 63 CO 0.01 -0.26 0.00 -0.07 0.00 0.00 0.00 179.25 178.94 2k5e h LEU 64 N 0.00 0.00 0.01 0.00 3.38 -1.27 -0.88 115.31 116.55 2k5e h LEU 64 Ca 0.09 0.00 -0.40 0.00 0.09 0.00 0.00 57.88 57.67 2k5e h LEU 64 Cb 0.40 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.09 2k5e h LEU 64 CO -0.00 0.00 -2.24 0.00 0.09 0.00 0.00 178.44 176.29 2k5e n ALA 65 N -1.96 1.13 -0.08 1.53 0.00 0.37 -4.57 120.51 116.93 2k5e n ALA 65 Ca 0.01 -0.94 -0.11 0.00 0.00 0.00 0.00 53.44 52.40 2k5e n ALA 65 Cb 0.28 -0.11 -0.04 0.00 0.00 0.00 0.00 19.45 19.58 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 -0.75 0.40 0.91 0.00 3.38 -1.05 -3.47 115.31 114.74 2k5e h LEU 66 Ca -0.59 -0.30 -0.35 0.00 0.09 0.00 0.00 57.88 56.73 2k5e h LEU 66 Cb 1.63 -0.11 -0.14 0.00 0.09 0.00 0.00 40.66 42.14 2k5e h LEU 66 CO -0.29 0.60 -0.32 -0.62 0.09 0.00 0.00 178.44 177.91 2k5e n GLU 67 N -4.66 -1.46 0.00 1.13 1.02 -0.34 -4.80 120.64 111.54 2k5e n GLU 67 Ca -0.04 1.04 0.14 0.00 -0.02 0.00 0.00 57.16 58.29 2k5e n GLU 67 Cb 0.23 -5.39 0.61 0.00 -0.02 0.00 0.00 31.44 26.88 2k5e n GLU 67 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 2k5e n HIS 68 N -2.20 0.00 0.00 -0.32 8.25 -1.26 -4.94 115.22 114.75 2k5e n HIS 68 Ca -0.17 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.29 2k5e n HIS 68 Cb 0.60 -0.27 0.00 0.00 1.12 0.00 0.00 29.99 31.44 2k5e n HIS 68 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 2k5e n HIS 69 N -1.18 0.00 0.00 4.41 -0.00 -1.26 -4.83 115.22 112.36 2k5e n HIS 69 Ca 0.12 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.30 2k5e n HIS 69 Cb 0.28 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.15 2k5e n HIS 69 CO 0.00 0.00 0.00 -2.39 0.46 0.00 0.00 176.34 174.41 2k5e n HIS 70 N 0.00 0.00 -2.15 1.57 1.44 -1.26 -4.78 115.22 110.04 2k5e n HIS 70 Ca 0.00 0.00 -0.35 0.00 -2.01 0.00 0.00 57.72 55.36 2k5e n HIS 70 Cb 0.00 0.00 -0.04 0.00 0.12 0.00 0.00 29.99 30.07 2k5e n HIS 70 CO 0.00 0.00 0.00 -1.58 -2.81 0.00 0.00 176.34 171.95 2k5e s HIS 71 N 0.00 1.87 -0.65 -1.40 5.04 -1.26 -4.89 115.29 114.00 2k5e s HIS 71 Ca 0.00 0.48 0.06 0.00 -1.54 0.00 0.00 55.06 54.05 2k5e s HIS 71 Cb 0.00 -4.19 0.22 0.00 0.04 0.00 0.00 32.58 28.64 2k5e s HIS 71 CO 0.00 -2.05 0.63 -2.39 -2.34 0.00 0.00 174.74 168.59 2k5e n HIS 72 N 12.43 3.17 -1.43 3.88 1.44 -1.26 -5.24 115.22 128.21 2k5e n HIS 72 Ca 0.27 -4.17 0.00 0.00 -2.01 0.00 0.00 57.72 51.81 2k5e n HIS 72 Cb 0.50 -0.55 0.00 0.00 0.12 0.00 0.00 29.99 30.06 2k5e n HIS 72 CO 0.00 0.00 0.00 0.72 -2.81 0.00 0.00 176.34 174.25