#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 0.00 -0.16 2.03 2.01 -1.26 -5.12 115.64 113.15 2k5e s THR 2 Ca 0.00 -0.04 -0.29 0.00 0.31 0.00 0.00 61.69 61.67 2k5e s THR 2 Cb 0.00 -0.92 -0.05 0.00 0.01 0.00 0.00 72.50 71.54 2k5e s THR 2 CO 0.00 -0.02 1.98 -1.10 -0.69 0.00 0.00 174.62 174.79 2k5e s GLN 3 N -0.37 3.57 0.20 4.92 -0.21 -1.26 -4.88 119.66 121.63 2k5e s GLN 3 Ca -0.05 2.07 -0.11 0.00 0.02 0.00 0.00 55.36 57.28 2k5e s GLN 3 Cb -0.03 -4.23 0.18 0.00 1.00 0.00 0.00 33.01 29.94 2k5e s GLN 3 CO 0.05 -1.59 1.81 0.87 -2.12 0.00 0.00 175.29 174.31 2k5e h LYS 4 N 12.70 0.64 -4.71 2.91 1.57 -1.97 -3.26 116.57 124.44 2k5e h LYS 4 Ca -0.41 -0.04 -0.71 0.00 -1.87 0.00 0.00 60.65 57.62 2k5e h LYS 4 Cb 1.21 -0.14 -0.20 0.00 0.08 0.00 0.00 32.23 33.18 2k5e h LYS 4 CO 0.97 0.42 0.51 -0.06 -0.57 0.00 0.00 179.45 180.72 2k5e s PHE 5 N -6.11 3.22 0.37 -1.35 0.40 -1.26 -5.04 117.98 108.20 2k5e s PHE 5 Ca -0.13 -1.39 0.02 0.00 -0.60 0.00 0.00 56.93 54.83 2k5e s PHE 5 Cb 0.15 -4.13 -0.02 0.00 0.51 0.00 0.00 43.02 39.53 2k5e s PHE 5 CO 0.75 -1.35 0.56 -0.08 0.70 0.00 0.00 175.22 175.80 2k5e s THR 6 N 2.19 4.62 -0.07 0.64 -1.32 -1.23 -4.75 115.64 115.72 2k5e s THR 6 Ca 0.25 -0.60 0.31 0.00 -1.21 0.00 0.00 61.69 60.44 2k5e s THR 6 Cb -0.10 -3.68 0.35 0.00 -1.51 0.00 0.00 72.50 67.56 2k5e s THR 6 CO -0.05 -0.41 1.91 0.07 -2.21 0.00 0.00 174.62 173.93 2k5e h LYS 7 N 0.69 0.00 -0.13 7.08 2.10 -1.95 -3.03 116.57 121.33 2k5e h LYS 7 Ca -0.48 0.00 -0.20 0.00 -2.00 0.00 0.00 60.65 57.97 2k5e h LYS 7 Cb 1.24 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.57 2k5e h LYS 7 CO 0.59 0.00 -0.73 0.22 -2.00 0.00 0.00 179.45 177.53 2k5e h ASP 8 N 0.00 0.74 -4.07 7.07 3.58 -1.95 -2.57 116.42 119.21 2k5e h ASP 8 Ca 0.00 -0.47 -0.50 0.00 0.42 0.00 0.00 57.03 56.48 2k5e h ASP 8 Cb 0.44 -0.22 0.06 0.00 1.72 0.00 0.00 39.33 41.33 2k5e h ASP 8 CO 0.00 1.24 0.43 0.00 -2.88 0.00 0.00 179.24 178.03 2k5e s MET 9 N -3.74 3.51 0.71 0.28 0.23 -1.15 -4.62 119.30 114.53 2k5e s MET 9 Ca -0.08 1.58 -0.11 0.00 -1.03 0.00 0.00 55.69 56.05 2k5e s MET 9 Cb 0.10 -2.08 0.02 0.00 -1.53 0.00 0.00 34.83 31.34 2k5e s MET 9 CO 0.87 -0.71 1.09 0.95 -2.03 0.00 0.00 175.02 175.19 2k5e s THR 10 N -1.78 3.26 0.23 3.16 -4.23 -1.26 -1.19 115.64 113.84 2k5e s THR 10 Ca 0.70 0.36 -0.07 0.00 -1.18 0.00 0.00 61.69 61.51 2k5e s THR 10 Cb -0.23 -3.40 0.19 0.00 1.34 0.00 0.00 72.50 70.40 2k5e s THR 10 CO 0.26 -0.51 1.82 -0.26 -0.54 0.00 0.00 174.62 175.39 2k5e h PHE 11 N -0.67 0.84 -0.42 3.99 0.04 -1.39 -1.17 116.94 118.15 2k5e h PHE 11 Ca -0.45 0.03 0.02 0.00 2.80 0.00 0.00 57.97 60.37 2k5e h PHE 11 Cb 1.27 -0.26 -0.03 0.00 2.20 0.00 0.00 35.95 39.13 2k5e h PHE 11 CO 0.47 0.39 0.24 0.00 -0.60 0.00 0.00 178.31 178.82 2k5e h ALA 12 N 1.40 0.53 -0.33 2.45 0.00 -1.58 -0.43 119.26 121.29 2k5e h ALA 12 Ca 0.35 -0.00 0.02 0.00 0.00 0.00 0.00 54.91 55.28 2k5e h ALA 12 Cb 0.23 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 2k5e h ALA 12 CO -0.20 -0.09 0.18 1.96 0.00 0.00 0.00 179.25 181.10 2k5e h GLN 13 N 0.49 0.35 -0.09 0.00 4.20 -1.68 -2.01 115.11 116.37 2k5e h GLN 13 Ca 0.17 -0.02 0.02 0.00 0.06 0.00 0.00 58.65 58.88 2k5e h GLN 13 Cb 0.02 -0.08 -0.02 0.00 0.30 0.00 0.00 27.48 27.71 2k5e h GLN 13 CO -0.09 0.23 -0.02 0.00 -0.67 0.00 0.00 178.83 178.28 2k5e h ALA 14 N 1.16 0.06 -0.89 3.87 0.00 -0.84 0.25 119.26 122.87 2k5e h ALA 14 Ca 0.14 0.03 0.09 0.00 0.00 0.00 0.00 54.91 55.17 2k5e h ALA 14 Cb 0.03 0.07 -0.06 0.00 0.00 0.00 0.00 17.79 17.83 2k5e h ALA 14 CO -0.08 -0.49 0.58 -0.07 0.00 0.00 0.00 179.25 179.18 2k5e h LEU 15 N -0.00 0.82 -0.46 0.00 3.38 -0.93 -1.11 115.31 117.01 2k5e h LEU 15 Ca 0.04 0.02 -0.14 0.00 0.09 0.00 0.00 57.88 57.89 2k5e h LEU 15 Cb 0.07 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.64 2k5e h LEU 15 CO -0.09 0.50 -0.68 1.56 0.09 0.00 0.00 178.44 179.82 2k5e h GLN 16 N 0.92 0.00 -0.35 1.13 1.08 -0.94 -3.30 115.11 113.64 2k5e h GLN 16 Ca 0.40 0.00 -0.09 0.00 -1.45 0.00 0.00 58.65 57.51 2k5e h GLN 16 Cb 0.34 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.76 2k5e h GLN 16 CO -0.17 0.68 -0.13 1.15 -0.95 0.00 0.00 178.83 179.41 2k5e h THR 17 N 0.00 1.28 -2.97 -0.54 2.02 0.31 -3.46 112.91 109.55 2k5e h THR 17 Ca -0.01 -1.23 -0.14 0.00 0.77 0.00 0.00 66.41 65.81 2k5e h THR 17 Cb 1.31 1.34 -0.23 0.00 -1.74 0.00 0.00 68.15 68.83 2k5e h THR 17 CO 0.09 0.40 -0.32 -1.00 0.37 0.00 0.00 175.52 175.06 2k5e s HIS 18 N -4.69 -0.30 0.07 3.16 3.76 -0.91 -5.06 115.29 111.33 2k5e s HIS 18 Ca -0.13 0.69 0.26 0.00 -0.15 0.00 0.00 55.06 55.73 2k5e s HIS 18 Cb 0.09 0.11 0.96 0.00 1.11 0.00 0.00 32.58 34.86 2k5e s HIS 18 CO 0.81 -0.24 1.84 -1.00 -0.85 0.00 0.00 174.74 175.30 2k5e h PRO 19 N 5.08 0.00 0.00 8.40 0.13 -1.88 -3.01 132.00 140.72 2k5e h PRO 19 Ca -0.27 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 2k5e h PRO 19 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 2k5e h PRO 19 CO 0.33 0.16 0.00 0.78 -0.23 0.00 0.00 178.00 179.04 2k5e h GLY 20 N 2.27 0.00 0.96 1.56 0.00 -1.95 -3.29 103.07 102.61 2k5e h GLY 20 Ca -0.00 0.00 0.05 0.00 0.00 0.00 0.00 47.33 47.38 2k5e h GLY 20 CO 0.02 0.00 0.57 -2.08 0.00 0.00 0.00 176.54 175.05 2k5e h VAL 21 N 0.00 1.10 -0.57 4.60 2.07 -1.84 -2.16 116.25 119.46 2k5e h VAL 21 Ca 0.00 -0.36 0.11 0.00 0.82 0.00 0.00 66.70 67.27 2k5e h VAL 21 Cb 0.56 -0.02 -0.08 0.00 -1.52 0.00 0.00 31.29 30.22 2k5e h VAL 21 CO 0.00 0.19 0.09 0.00 0.02 0.00 0.00 177.57 177.87 2k5e h ALA 22 N 1.51 0.64 -0.64 1.67 0.00 -1.80 0.12 119.26 120.76 2k5e h ALA 22 Ca 0.36 0.14 -0.03 0.00 0.00 0.00 0.00 54.91 55.37 2k5e h ALA 22 Cb 0.11 0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.07 2k5e h ALA 22 CO -0.12 -0.33 0.26 0.78 0.00 0.00 0.00 179.25 179.84 2k5e h GLY 23 N 0.22 1.02 0.90 0.00 0.00 -1.64 -2.16 103.07 101.40 2k5e h GLY 23 Ca 0.30 -0.55 -0.00 0.00 0.00 0.00 0.00 47.33 47.07 2k5e h GLY 23 CO -0.41 0.52 -0.04 -2.08 0.00 0.00 0.00 176.54 174.53 2k5e h VAL 24 N 0.89 0.98 -0.42 4.60 2.07 -1.12 0.12 116.25 123.37 2k5e h VAL 24 Ca 0.21 -0.23 0.05 0.00 0.82 0.00 0.00 66.70 67.55 2k5e h VAL 24 Cb 0.19 1.13 -0.04 0.00 -1.52 0.00 0.00 31.29 31.05 2k5e h VAL 24 CO -0.02 0.06 0.16 -0.07 0.02 0.00 0.00 177.57 177.72 2k5e h LEU 25 N -0.22 0.19 -0.60 2.57 3.38 -0.97 -0.11 115.31 119.56 2k5e h LEU 25 Ca -0.01 0.04 -0.02 0.00 0.09 0.00 0.00 57.88 57.98 2k5e h LEU 25 Cb 0.18 0.02 -0.03 0.00 0.09 0.00 0.00 40.66 40.92 2k5e h LEU 25 CO 0.02 0.15 0.32 0.03 0.09 0.00 0.00 178.44 179.04 2k5e h ARG 26 N 0.34 0.85 -0.44 1.13 3.08 -1.31 0.32 114.38 118.34 2k5e h ARG 26 Ca 0.19 -0.11 0.03 0.00 0.07 0.00 0.00 59.98 60.17 2k5e h ARG 26 Cb 0.16 -0.16 -0.02 0.00 0.08 0.00 0.00 29.97 30.03 2k5e h ARG 26 CO -0.18 0.66 0.30 1.03 -1.07 0.00 0.00 179.97 180.70 2k5e h SER 27 N 0.81 0.40 -0.68 7.04 0.87 -0.30 -1.28 113.55 120.42 2k5e h SER 27 Ca 0.21 -0.00 -0.23 0.00 -1.23 0.00 0.00 61.79 60.53 2k5e h SER 27 Cb 0.07 -0.09 -0.14 0.00 -0.44 0.00 0.00 62.40 61.80 2k5e h SER 27 CO -0.03 0.28 0.29 -1.22 -0.53 0.00 0.00 176.83 175.62 2k5e n TYR 28 N -4.48 2.21 0.00 2.24 4.02 -0.12 -4.91 117.16 116.13 2k5e n TYR 28 Ca 0.05 -1.16 0.00 0.00 -0.01 0.00 0.00 57.90 56.78 2k5e n TYR 28 Cb 0.16 -0.66 0.00 0.00 -0.02 0.00 0.00 39.34 38.83 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 -0.22 0.00 0.01 7.72 2.85 -0.48 -4.76 115.26 120.37 2k5e n ASN 29 Ca 0.38 0.00 0.03 0.00 -0.11 0.00 0.00 54.58 54.87 2k5e n ASN 29 Cb 1.29 -0.35 0.12 0.00 1.24 0.00 0.00 39.78 42.08 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 0.04 0.24 1.20 4.77 0.11 -2.82 117.00 120.54 2k5e n LEU 30 Ca 0.00 0.52 0.17 0.00 -0.03 0.00 0.00 56.01 56.67 2k5e n LEU 30 Cb 0.00 -0.52 0.78 0.00 -2.33 0.00 0.00 43.42 41.35 2k5e n LEU 30 CO 0.00 -0.46 1.15 1.23 -1.33 0.00 0.00 177.39 177.97 2k5e h GLY 31 N 0.67 0.00 0.68 -0.72 0.00 -1.58 -0.16 103.07 101.96 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 0.75 -0.58 0.00 3.07 -1.31 -0.95 117.51 118.49 2k5e h ILE 33 Ca 0.00 -0.01 -0.07 0.00 1.55 0.00 0.00 64.86 66.33 2k5e h ILE 33 Cb 0.00 0.72 -0.02 0.00 -0.27 0.00 0.00 36.82 37.25 2k5e h ILE 33 CO 0.00 0.01 0.10 1.23 -1.05 0.00 0.00 178.15 178.43 2k5e h GLY 34 N 0.03 1.04 0.43 0.16 0.00 -1.84 -0.09 103.07 102.79 2k5e h GLY 34 Ca 0.25 -0.69 -0.01 0.00 0.00 0.00 0.00 47.33 46.88 2k5e h GLY 34 CO -0.01 0.64 -0.11 0.00 0.00 0.00 0.00 176.54 177.06 2k5e n MET 36 N -4.99 0.09 -2.47 0.00 0.00 -0.61 -4.90 117.12 104.25 2k5e n MET 36 Ca -0.08 0.28 -0.05 0.00 0.00 0.00 0.00 57.70 57.85 2k5e n MET 36 Cb 0.26 -1.66 0.03 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 0.30 0.26 2.75 3.17 0.00 -0.49 -5.00 105.19 106.17 2k5e n GLY 37 Ca 0.04 -0.33 -0.34 0.00 0.00 0.00 0.00 46.02 45.39 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 -2.08 4.97 -0.13 4.61 0.00 -0.17 -4.69 120.51 123.02 2k5e n ALA 38 Ca -0.07 -4.73 -0.18 0.00 0.00 0.00 0.00 53.44 48.46 2k5e n ALA 38 Cb 0.54 -1.46 -0.12 0.00 0.00 0.00 0.00 19.45 18.42 2k5e n ALA 38 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2k5e n GLN 39 N 0.40 0.65 -0.03 0.00 1.13 -1.26 -4.47 117.38 113.80 2k5e n GLN 39 Ca 0.33 0.15 0.13 0.00 -1.94 0.00 0.00 57.00 55.68 2k5e n GLN 39 Cb 0.35 -1.52 0.46 0.00 0.11 0.00 0.00 30.24 29.64 2k5e n GLN 39 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 2k5e n ASN 40 N -3.29 1.59 -4.84 1.08 3.02 -1.26 -1.56 115.26 110.00 2k5e n ASN 40 Ca -0.46 -1.59 -0.36 0.00 -0.03 0.00 0.00 54.58 52.14 2k5e n ASN 40 Cb 0.99 -0.04 -0.06 0.00 -0.61 0.00 0.00 39.78 40.06 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 -1.92 3.97 0.55 3.52 2.12 -1.26 -4.86 118.70 120.82 2k5e s GLU 41 Ca 0.36 0.47 -0.19 0.00 0.36 0.00 0.00 54.97 55.97 2k5e s GLU 41 Cb 0.20 -3.02 -0.06 0.00 0.26 0.00 0.00 34.13 31.51 2k5e s GLU 41 CO 0.31 0.54 1.09 -1.12 -0.54 0.00 0.00 175.26 175.54 2k5e s SER 42 N -1.55 5.85 0.21 -1.70 0.01 -1.26 -1.91 113.70 113.34 2k5e s SER 42 Ca 0.34 2.03 -0.10 0.00 1.31 0.00 0.00 55.95 59.53 2k5e s SER 42 Cb -0.16 -2.56 0.28 0.00 0.21 0.00 0.00 66.02 63.78 2k5e s SER 42 CO 0.18 -1.13 1.73 -0.07 0.41 0.00 0.00 173.24 174.37 2k5e h LEU 43 N 1.07 0.15 -0.29 2.44 3.38 -0.98 -0.35 115.31 120.72 2k5e h LEU 43 Ca -0.49 0.09 -0.01 0.00 0.09 0.00 0.00 57.88 57.56 2k5e h LEU 43 Cb 1.24 0.09 -0.01 0.00 0.09 0.00 0.00 40.66 42.07 2k5e h LEU 43 CO 0.57 0.09 0.15 -0.08 0.09 0.00 0.00 178.44 179.27 2k5e h GLU 44 N 0.35 0.41 -0.83 1.13 4.81 -1.76 0.30 114.58 119.00 2k5e h GLU 44 Ca 0.30 -0.05 0.06 0.00 -0.13 0.00 0.00 59.36 59.54 2k5e h GLU 44 Cb 0.40 -0.08 -0.06 0.00 0.63 0.00 0.00 28.75 29.64 2k5e h GLU 44 CO -0.33 0.37 0.51 1.96 -0.73 0.00 0.00 179.01 180.79 2k5e h GLN 45 N 0.35 0.92 -0.49 1.92 4.20 -1.61 -0.02 115.11 120.38 2k5e h GLN 45 Ca 0.10 -0.06 -0.13 0.00 0.06 0.00 0.00 58.65 58.63 2k5e h GLN 45 Cb 0.08 -0.21 -0.01 0.00 0.30 0.00 0.00 27.48 27.64 2k5e h GLN 45 CO -0.02 0.61 -0.20 0.78 -0.67 0.00 0.00 178.83 179.33 2k5e h GLY 46 N 0.94 1.08 0.90 3.46 0.00 -0.85 -2.57 103.07 106.04 2k5e h GLY 46 Ca 0.36 -0.94 -0.00 0.00 0.00 0.00 0.00 47.33 46.74 2k5e h GLY 46 CO -0.17 0.86 -0.15 0.00 0.00 0.00 0.00 176.54 177.08 2k5e h ALA 47 N 0.90 -0.36 -0.63 3.60 0.00 -0.21 -1.77 119.26 120.79 2k5e h ALA 47 Ca 0.12 -0.07 0.12 0.00 0.00 0.00 0.00 54.91 55.08 2k5e h ALA 47 Cb 0.78 0.19 -0.09 0.00 0.00 0.00 0.00 17.79 18.67 2k5e h ALA 47 CO 0.06 -0.71 0.17 -0.91 0.00 0.00 0.00 179.25 177.86 2k5e h ASN 48 N -0.38 0.07 0.04 0.00 2.35 -1.05 0.28 115.58 116.89 2k5e h ASN 48 Ca -0.02 0.11 -0.02 0.00 -0.55 0.00 0.00 56.30 55.82 2k5e h ASN 48 Cb 0.32 0.14 -0.00 0.00 0.05 0.00 0.00 38.32 38.82 2k5e h ASN 48 CO 0.01 0.03 -0.06 0.00 -1.65 0.00 0.00 177.43 175.76 2k5e h ALA 49 N 1.49 1.81 -0.21 -0.83 0.00 -1.19 -1.89 119.26 118.44 2k5e h ALA 49 Ca 0.33 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.16 2k5e h ALA 49 Cb 0.49 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.25 2k5e h ALA 49 CO -0.40 0.14 0.00 0.72 0.00 0.00 0.00 179.25 179.71 2k5e n HIS 50 N -4.43 0.26 -2.92 0.00 8.25 -0.33 -4.97 115.22 111.07 2k5e n HIS 50 Ca -0.02 -0.13 -0.18 0.00 -0.26 0.00 0.00 57.72 57.13 2k5e n HIS 50 Cb 0.16 0.00 0.03 0.00 1.12 0.00 0.00 29.99 31.31 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 1.42 -0.26 3.82 -1.41 0.00 0.78 -5.02 105.19 104.52 2k5e n GLY 51 Ca 0.17 -0.05 -0.24 0.00 0.00 0.00 0.00 46.02 45.90 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 -5.44 3.83 -0.59 0.99 1.43 0.07 -5.00 118.68 113.98 2k5e s LEU 52 Ca 0.27 -0.18 -0.25 0.00 -1.03 0.00 0.00 54.13 52.93 2k5e s LEU 52 Cb -0.12 -2.40 0.04 0.00 0.03 0.00 0.00 46.19 43.74 2k5e s LEU 52 CO 0.33 0.01 1.03 0.21 0.23 0.00 0.00 176.35 178.16 2k5e s ASN 53 N -3.52 6.32 0.33 2.29 2.47 -1.26 -4.35 114.94 117.21 2k5e s ASN 53 Ca 0.32 -0.35 0.06 0.00 0.42 0.00 0.00 52.86 53.31 2k5e s ASN 53 Cb -0.09 -2.47 0.71 0.00 -1.45 0.00 0.00 41.25 37.95 2k5e s ASN 53 CO 0.24 -1.38 1.86 1.62 -3.72 0.00 0.00 177.10 175.73 2k5e h VAL 54 N 6.04 0.88 -0.81 -5.21 3.04 -1.92 -1.64 116.25 116.63 2k5e h VAL 54 Ca -0.26 -0.28 -0.01 0.00 -1.01 0.00 0.00 66.70 65.14 2k5e h VAL 54 Cb 1.07 -0.01 -0.04 0.00 -2.01 0.00 0.00 31.29 30.30 2k5e h VAL 54 CO 1.14 0.15 0.48 -0.33 -1.01 0.00 0.00 177.57 178.00 2k5e h GLU 55 N 0.82 1.11 -0.25 4.17 4.39 -1.99 -0.07 114.58 122.76 2k5e h GLU 55 Ca 0.46 -0.11 -0.10 0.00 0.34 0.00 0.00 59.36 59.95 2k5e h GLU 55 Cb 0.60 -0.23 -0.01 0.00 -0.10 0.00 0.00 28.75 29.01 2k5e h GLU 55 CO -0.22 0.79 -0.28 0.22 -1.16 0.00 0.00 179.01 178.36 2k5e h ASP 56 N 1.12 0.49 0.21 1.42 3.58 -1.73 -1.45 116.42 120.06 2k5e h ASP 56 Ca 0.29 -0.17 -0.01 0.00 0.42 0.00 0.00 57.03 57.56 2k5e h ASP 56 Cb -0.02 -0.13 0.00 0.00 1.72 0.00 0.00 39.33 40.90 2k5e h ASP 56 CO -0.05 0.75 -0.10 0.40 -2.88 0.00 0.00 179.24 177.36 2k5e h ILE 57 N 0.42 0.87 -0.59 2.25 2.04 -1.01 -3.11 117.51 118.38 2k5e h ILE 57 Ca 0.06 -0.58 0.08 0.00 1.00 0.00 0.00 64.86 65.42 2k5e h ILE 57 Cb 0.70 1.21 -0.04 0.00 -0.74 0.00 0.00 36.82 37.96 2k5e h ILE 57 CO 0.05 0.13 0.40 -0.07 0.00 0.00 0.00 178.15 178.66 2k5e h LEU 58 N -0.58 0.43 -0.07 1.44 3.38 -0.94 -1.81 115.31 117.16 2k5e h LEU 58 Ca -0.03 0.01 0.04 0.00 0.09 0.00 0.00 57.88 57.99 2k5e h LEU 58 Cb 0.43 -0.08 -0.06 0.00 0.09 0.00 0.00 40.66 41.03 2k5e h LEU 58 CO 0.05 0.27 -0.34 -0.09 0.09 0.00 0.00 178.44 178.41 2k5e h ARG 59 N 0.48 -0.44 -0.10 1.13 2.43 -1.19 0.85 114.38 117.53 2k5e h ARG 59 Ca 0.27 0.03 -0.16 0.00 -0.81 0.00 0.00 59.98 59.31 2k5e h ARG 59 Cb 0.42 0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 30.07 2k5e h ARG 59 CO -0.08 -0.29 -0.62 0.22 -1.51 0.00 0.00 179.97 177.69 2k5e h ASP 60 N -0.46 0.42 -0.09 -3.80 3.58 -1.40 -1.70 116.42 112.97 2k5e h ASP 60 Ca 0.08 -0.24 -0.00 0.00 0.42 0.00 0.00 57.03 57.28 2k5e h ASP 60 Cb 0.57 -0.12 -0.00 0.00 1.72 0.00 0.00 39.33 41.50 2k5e h ASP 60 CO -0.32 0.94 0.05 -0.07 -2.88 0.00 0.00 179.24 176.95 2k5e h LEU 61 N 0.27 0.11 -1.27 2.28 3.38 -1.12 -2.68 115.31 116.29 2k5e h LEU 61 Ca -0.01 -0.09 -0.06 0.00 0.09 0.00 0.00 57.88 57.81 2k5e h LEU 61 Cb 1.16 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.87 2k5e h LEU 61 CO 0.10 0.17 -0.27 0.78 0.09 0.00 0.00 178.44 179.31 2k5e h ASN 62 N 0.04 0.00 -0.07 -0.43 2.35 -0.81 -2.29 115.58 114.37 2k5e h ASN 62 Ca 0.03 0.00 0.02 0.00 -0.55 0.00 0.00 56.30 55.80 2k5e h ASN 62 Cb 0.09 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.45 2k5e h ASN 62 CO -0.00 0.27 0.05 0.00 -1.65 0.00 0.00 177.43 176.10 2k5e h ALA 63 N 1.73 2.01 -0.23 -0.83 0.00 -0.97 -0.41 119.26 120.56 2k5e h ALA 63 Ca -0.00 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 2k5e h ALA 63 Cb 0.69 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 2k5e h ALA 63 CO 0.04 -0.09 -0.02 -0.07 0.00 0.00 0.00 179.25 179.11 2k5e h LEU 64 N 0.00 0.31 0.09 0.00 3.38 -1.21 0.22 115.31 118.10 2k5e h LEU 64 Ca 0.03 -0.05 -0.29 0.00 0.09 0.00 0.00 57.88 57.67 2k5e h LEU 64 Cb 0.14 -0.08 0.02 0.00 0.09 0.00 0.00 40.66 40.84 2k5e h LEU 64 CO -0.00 0.38 -1.23 0.00 0.09 0.00 0.00 178.44 177.68 2k5e h ALA 65 N 1.66 0.05 -0.10 1.53 0.00 -1.20 -3.31 119.26 117.89 2k5e h ALA 65 Ca 0.08 -0.80 -0.20 0.00 0.00 0.00 0.00 54.91 53.99 2k5e h ALA 65 Cb 0.25 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.12 2k5e h ALA 65 CO 0.01 0.77 -0.76 -0.07 0.00 0.00 0.00 179.25 179.19 2k5e h LEU 66 N 0.21 0.64 0.00 0.00 3.38 -1.19 -3.47 115.31 114.88 2k5e h LEU 66 Ca -0.17 -0.42 0.00 0.00 0.09 0.00 0.00 57.88 57.38 2k5e h LEU 66 Cb 1.91 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 42.47 2k5e h LEU 66 CO 0.23 1.19 0.00 -0.62 0.09 0.00 0.00 178.44 179.32 2k5e n GLU 67 N -3.86 0.00 -1.49 1.13 1.02 0.75 -4.85 120.64 113.33 2k5e n GLU 67 Ca -0.05 0.00 -0.18 0.00 -0.02 0.00 0.00 57.16 56.90 2k5e n GLU 67 Cb 0.73 0.00 -0.17 0.00 -0.02 0.00 0.00 31.44 31.97 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 0.32 -3.65 -0.32 1.44 -1.26 -4.91 115.22 106.85 2k5e n HIS 68 Ca 0.00 -0.01 -0.37 0.00 -2.01 0.00 0.00 57.72 55.33 2k5e n HIS 68 Cb 0.00 -1.09 -0.10 0.00 0.12 0.00 0.00 29.99 28.92 2k5e n HIS 68 CO 0.00 0.00 0.00 -1.01 -2.81 0.00 0.00 176.34 172.52 2k5e s HIS 69 N 4.19 3.26 0.09 -1.40 3.76 -1.26 -5.08 115.29 118.85 2k5e s HIS 69 Ca 1.14 0.14 -0.31 0.00 -0.15 0.00 0.00 55.06 55.88 2k5e s HIS 69 Cb -0.60 -2.31 -0.07 0.00 1.11 0.00 0.00 32.58 30.71 2k5e s HIS 69 CO 0.41 -0.05 1.27 -1.01 -0.85 0.00 0.00 174.74 174.50 2k5e s HIS 70 N 1.37 3.36 0.09 1.40 3.76 -1.26 -4.94 115.29 119.07 2k5e s HIS 70 Ca 0.07 1.17 -0.19 0.00 -0.15 0.00 0.00 55.06 55.97 2k5e s HIS 70 Cb -0.15 -3.52 -0.08 0.00 1.11 0.00 0.00 32.58 29.94 2k5e s HIS 70 CO 0.07 -1.69 1.54 1.25 -0.85 0.00 0.00 174.74 175.06 2k5e h HIS 71 N 6.74 0.45 -3.04 1.40 2.76 -2.03 -3.43 115.15 118.01 2k5e h HIS 71 Ca -0.42 -0.07 -0.21 0.00 -2.20 0.00 0.00 60.37 57.47 2k5e h HIS 71 Cb 1.21 -0.12 -0.31 0.00 1.55 0.00 0.00 27.41 29.75 2k5e h HIS 71 CO 0.66 0.56 -0.51 -1.58 -1.30 0.00 0.00 177.93 175.76 2k5e s HIS 72 N -5.09 -0.31 -2.00 5.26 5.65 -1.26 -5.36 115.29 112.18 2k5e s HIS 72 Ca -0.14 0.76 0.18 0.00 0.25 0.00 0.00 55.06 56.11 2k5e s HIS 72 Cb 0.07 0.01 1.05 0.00 -1.18 0.00 0.00 32.58 32.53 2k5e s HIS 72 CO 0.74 -0.24 1.45 1.58 -0.65 0.00 0.00 174.74 177.62