#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 3.42 0.04 3.17 2.01 -1.26 -5.00 115.64 118.03 2k5e s THR 2 Ca 0.00 0.48 0.09 0.00 0.31 0.00 0.00 61.69 62.57 2k5e s THR 2 Cb 0.00 -3.42 -0.03 0.00 0.01 0.00 0.00 72.50 69.06 2k5e s THR 2 CO 0.00 -0.17 -0.24 -1.10 -0.69 0.00 0.00 174.62 172.42 2k5e s GLN 3 N 4.91 1.89 0.07 4.92 -0.21 -1.26 -5.04 119.66 124.94 2k5e s GLN 3 Ca 0.80 -1.06 -0.03 0.00 0.02 0.00 0.00 55.36 55.09 2k5e s GLN 3 Cb -0.30 -2.04 -0.27 0.00 1.00 0.00 0.00 33.01 31.39 2k5e s GLN 3 CO 0.33 0.52 1.10 0.87 -2.12 0.00 0.00 175.29 175.99 2k5e h LYS 4 N 4.78 0.23 -5.18 2.91 1.79 -1.94 -3.45 116.57 115.72 2k5e h LYS 4 Ca -0.47 -0.40 -0.67 0.00 -2.18 0.00 0.00 60.65 56.93 2k5e h LYS 4 Cb 1.14 0.15 -0.32 0.00 -1.58 0.00 0.00 32.23 31.62 2k5e h LYS 4 CO 0.45 1.17 -0.83 -0.06 -1.08 0.00 0.00 179.45 179.09 2k5e s PHE 5 N -2.65 2.74 0.25 -1.35 0.40 -1.26 -5.02 117.98 111.09 2k5e s PHE 5 Ca -0.04 -1.20 0.08 0.00 -0.60 0.00 0.00 56.93 55.17 2k5e s PHE 5 Cb 0.07 -1.87 -0.05 0.00 0.51 0.00 0.00 43.02 41.68 2k5e s PHE 5 CO 0.87 -0.55 -0.12 -0.08 0.70 0.00 0.00 175.22 176.04 2k5e s THR 6 N 0.87 1.82 0.43 0.64 -1.32 -1.26 -4.88 115.64 111.94 2k5e s THR 6 Ca -0.05 -2.21 0.19 0.00 -1.21 0.00 0.00 61.69 58.41 2k5e s THR 6 Cb -0.15 -2.25 0.21 0.00 -1.51 0.00 0.00 72.50 68.80 2k5e s THR 6 CO -0.02 -0.45 2.00 0.07 -2.21 0.00 0.00 174.62 174.01 2k5e h LYS 7 N 2.40 0.00 -0.22 7.08 2.10 -1.97 -3.02 116.57 122.93 2k5e h LYS 7 Ca -0.39 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.26 2k5e h LYS 7 Cb 1.23 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.56 2k5e h LYS 7 CO 0.64 0.19 0.00 -3.47 -2.00 0.00 0.00 179.45 174.80 2k5e n ASP 8 N -4.06 2.29 -4.91 7.07 2.03 -1.26 -1.48 116.55 116.23 2k5e n ASP 8 Ca -0.02 -1.81 -0.29 0.00 0.52 0.00 0.00 54.79 53.19 2k5e n ASP 8 Cb 0.26 -0.14 -0.04 0.00 -0.72 0.00 0.00 41.12 40.49 2k5e n ASP 8 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2k5e s MET 9 N -1.72 3.61 0.52 -0.67 0.23 -1.14 -4.79 119.30 115.33 2k5e s MET 9 Ca 0.34 -0.10 -0.18 0.00 -1.03 0.00 0.00 55.69 54.72 2k5e s MET 9 Cb 0.19 -2.74 -0.07 0.00 -1.53 0.00 0.00 34.83 30.68 2k5e s MET 9 CO 0.28 0.33 1.02 0.95 -2.03 0.00 0.00 175.02 175.57 2k5e s THR 10 N -1.91 4.03 0.34 3.16 -4.23 -1.26 -0.45 115.64 115.32 2k5e s THR 10 Ca 0.42 1.11 0.07 0.00 -1.18 0.00 0.00 61.69 62.11 2k5e s THR 10 Cb -0.11 -3.51 0.31 0.00 1.34 0.00 0.00 72.50 70.53 2k5e s THR 10 CO 0.28 -0.42 1.87 -0.26 -0.54 0.00 0.00 174.62 175.55 2k5e h PHE 11 N 1.14 0.89 -0.04 3.99 -1.00 -1.26 -2.22 116.94 118.45 2k5e h PHE 11 Ca -0.48 0.03 0.02 0.00 2.81 0.00 0.00 57.97 60.35 2k5e h PHE 11 Cb 1.21 -0.28 -0.03 0.00 3.61 0.00 0.00 35.95 40.46 2k5e h PHE 11 CO 0.59 0.35 -0.09 0.00 -1.61 0.00 0.00 178.31 177.55 2k5e h ALA 12 N 1.58 -0.07 -0.75 2.45 0.00 -1.57 -1.58 119.26 119.32 2k5e h ALA 12 Ca 0.44 0.02 0.05 0.00 0.00 0.00 0.00 54.91 55.43 2k5e h ALA 12 Cb 0.60 0.18 -0.05 0.00 0.00 0.00 0.00 17.79 18.52 2k5e h ALA 12 CO -0.20 -0.57 0.45 1.96 0.00 0.00 0.00 179.25 180.88 2k5e h GLN 13 N -0.14 0.81 -0.13 0.00 4.20 -1.69 -0.28 115.11 117.88 2k5e h GLN 13 Ca 0.05 -0.05 0.03 0.00 0.06 0.00 0.00 58.65 58.74 2k5e h GLN 13 Cb 0.21 -0.18 -0.03 0.00 0.30 0.00 0.00 27.48 27.78 2k5e h GLN 13 CO -0.13 0.54 -0.04 0.00 -0.67 0.00 0.00 178.83 178.53 2k5e h ALA 14 N 1.36 0.08 -0.94 3.87 0.00 -1.12 -1.36 119.26 121.15 2k5e h ALA 14 Ca 0.32 0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.29 2k5e h ALA 14 Cb 0.14 0.11 -0.05 0.00 0.00 0.00 0.00 17.79 18.00 2k5e h ALA 14 CO -0.16 -0.49 0.59 -0.07 0.00 0.00 0.00 179.25 179.12 2k5e h LEU 15 N -0.01 1.11 -1.15 0.00 3.38 -0.80 -1.78 115.31 116.05 2k5e h LEU 15 Ca 0.07 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.98 2k5e h LEU 15 Cb 0.11 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.58 2k5e h LEU 15 CO -0.14 0.83 0.00 1.56 0.09 0.00 0.00 178.44 180.78 2k5e h GLN 16 N 1.29 0.00 0.00 1.13 1.08 -0.61 -3.19 115.11 114.81 2k5e h GLN 16 Ca 0.34 0.00 -0.04 0.00 -1.45 0.00 0.00 58.65 57.49 2k5e h GLN 16 Cb -0.09 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.33 2k5e h GLN 16 CO -0.07 0.00 -0.28 1.15 -0.95 0.00 0.00 178.83 178.68 2k5e h THR 17 N 0.00 1.10 -3.10 -0.54 2.02 -0.38 -3.48 112.91 108.53 2k5e h THR 17 Ca 0.00 -1.92 -0.22 0.00 0.77 0.00 0.00 66.41 65.04 2k5e h THR 17 Cb 0.36 2.17 -0.31 0.00 -1.74 0.00 0.00 68.15 68.63 2k5e h THR 17 CO 0.00 0.37 -0.54 -1.00 0.37 0.00 0.00 175.52 174.72 2k5e s HIS 18 N -2.10 -0.27 0.40 3.16 3.76 -1.03 -5.05 115.29 114.16 2k5e s HIS 18 Ca -0.16 0.68 0.13 0.00 -0.15 0.00 0.00 55.06 55.55 2k5e s HIS 18 Cb -0.00 -0.02 0.95 0.00 1.11 0.00 0.00 32.58 34.62 2k5e s HIS 18 CO 0.48 -0.22 1.92 -1.35 -0.85 0.00 0.00 174.74 174.72 2k5e h PRO 19 N 7.35 0.51 0.00 8.40 0.11 -1.87 -1.96 132.00 144.54 2k5e h PRO 19 Ca -0.38 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.69 2k5e h PRO 19 Cb 1.15 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.14 2k5e h PRO 19 CO 0.37 0.34 0.13 0.78 -0.21 0.00 0.00 178.00 179.40 2k5e h GLY 20 N 0.53 0.00 1.52 -0.55 0.00 -1.95 -1.56 103.07 101.05 2k5e h GLY 20 Ca 0.37 0.00 0.04 0.00 0.00 0.00 0.00 47.33 47.75 2k5e h GLY 20 CO -0.14 0.00 0.23 -2.08 0.00 0.00 0.00 176.54 174.56 2k5e h VAL 21 N 0.00 0.98 -0.21 4.60 2.07 -1.67 -2.20 116.25 119.82 2k5e h VAL 21 Ca 0.00 -0.10 0.01 0.00 0.82 0.00 0.00 66.70 67.43 2k5e h VAL 21 Cb 0.26 0.67 -0.02 0.00 -1.52 0.00 0.00 31.29 30.68 2k5e h VAL 21 CO 0.00 0.05 0.11 0.00 0.02 0.00 0.00 177.57 177.75 2k5e h ALA 22 N 1.81 0.26 -0.75 1.67 0.00 -1.50 0.51 119.26 121.25 2k5e h ALA 22 Ca 0.15 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 55.00 2k5e h ALA 22 Cb 0.22 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 2k5e h ALA 22 CO -0.03 -0.30 0.25 0.78 0.00 0.00 0.00 179.25 179.95 2k5e h GLY 23 N 0.23 1.25 0.86 0.00 0.00 -1.60 -1.66 103.07 102.16 2k5e h GLY 23 Ca 0.08 -0.73 -0.00 0.00 0.00 0.00 0.00 47.33 46.68 2k5e h GLY 23 CO -0.05 0.68 -0.03 -2.08 0.00 0.00 0.00 176.54 175.06 2k5e h VAL 24 N 1.12 1.03 -0.42 4.60 2.07 -1.13 0.67 116.25 124.20 2k5e h VAL 24 Ca 0.24 -0.31 0.04 0.00 0.82 0.00 0.00 66.70 67.50 2k5e h VAL 24 Cb 0.29 1.24 -0.04 0.00 -1.52 0.00 0.00 31.29 31.26 2k5e h VAL 24 CO -0.01 0.08 0.17 -0.07 0.02 0.00 0.00 177.57 177.76 2k5e h LEU 25 N -0.22 0.21 -1.48 2.57 3.38 -0.84 -0.93 115.31 118.00 2k5e h LEU 25 Ca -0.01 0.04 -0.04 0.00 0.09 0.00 0.00 57.88 57.95 2k5e h LEU 25 Cb 0.19 0.01 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 2k5e h LEU 25 CO 0.01 0.16 -0.13 0.03 0.09 0.00 0.00 178.44 178.61 2k5e h ARG 26 N 0.35 0.18 -0.06 1.13 3.08 -1.23 0.24 114.38 118.07 2k5e h ARG 26 Ca 0.19 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 60.19 2k5e h ARG 26 Cb 0.14 -0.03 -0.00 0.00 0.08 0.00 0.00 29.97 30.16 2k5e h ARG 26 CO -0.17 0.32 -0.03 1.03 -1.07 0.00 0.00 179.97 180.05 2k5e h SER 27 N 0.17 0.07 -0.54 7.04 0.87 0.48 -0.77 113.55 120.89 2k5e h SER 27 Ca 0.04 -0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.59 2k5e h SER 27 Cb 0.34 -0.02 0.00 0.00 -0.44 0.00 0.00 62.40 62.28 2k5e h SER 27 CO 0.02 0.12 0.00 -1.22 -0.53 0.00 0.00 176.83 175.22 2k5e n TYR 28 N -4.45 1.68 -2.30 2.24 4.02 -0.55 -4.92 117.16 112.87 2k5e n TYR 28 Ca -0.02 -0.61 -0.20 0.00 -0.01 0.00 0.00 57.90 57.06 2k5e n TYR 28 Cb 0.14 -0.38 -0.02 0.00 -0.02 0.00 0.00 39.34 39.06 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 0.72 -5.76 -1.08 7.72 5.15 -0.29 -4.87 115.26 116.84 2k5e n ASN 29 Ca 0.24 0.06 0.11 0.00 -0.60 0.00 0.00 54.58 54.39 2k5e n ASN 29 Cb 1.00 -4.84 0.26 0.00 -0.53 0.00 0.00 39.78 35.68 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 -2.92 3.19 0.24 1.20 4.77 0.73 -4.55 117.00 119.67 2k5e n LEU 30 Ca -0.24 -1.47 0.13 0.00 -0.03 0.00 0.00 56.01 54.41 2k5e n LEU 30 Cb 0.68 -0.30 0.78 0.00 -2.33 0.00 0.00 43.42 42.25 2k5e n LEU 30 CO 0.29 0.73 1.12 1.23 -1.33 0.00 0.00 177.39 179.42 2k5e h GLY 31 N 4.64 0.00 0.64 -0.72 0.00 -1.83 -1.81 103.07 103.99 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 0.71 0.00 0.00 3.07 -1.69 0.15 117.51 119.75 2k5e h ILE 33 Ca 0.00 -0.18 -0.06 0.00 1.55 0.00 0.00 64.86 66.16 2k5e h ILE 33 Cb 0.00 0.13 -0.01 0.00 -0.27 0.00 0.00 36.82 36.67 2k5e h ILE 33 CO 0.00 0.10 -0.29 1.23 -1.05 0.00 0.00 178.15 178.14 2k5e h GLY 34 N 0.54 0.00 1.02 0.16 0.00 -1.85 0.16 103.07 103.10 2k5e h GLY 34 Ca 0.49 0.00 -0.32 0.00 0.00 0.00 0.00 47.33 47.50 2k5e h GLY 34 CO -0.23 0.00 -1.47 0.00 0.00 0.00 0.00 176.54 174.85 2k5e n MET 36 N -3.76 1.70 -1.88 0.00 0.00 -0.28 -4.91 117.12 108.00 2k5e n MET 36 Ca -0.20 -1.09 -0.17 0.00 0.00 0.00 0.00 57.70 56.24 2k5e n MET 36 Cb 1.04 -1.26 -0.04 0.00 0.00 0.00 0.00 33.22 32.96 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 1.00 0.79 0.00 3.17 0.00 -0.79 -4.86 105.19 104.50 2k5e n GLY 37 Ca 0.11 -0.17 0.04 0.00 0.00 0.00 0.00 46.02 46.00 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 -0.10 2.46 -0.33 4.61 0.00 0.48 -3.79 120.51 123.84 2k5e n ALA 38 Ca -0.19 -0.05 0.02 0.00 0.00 0.00 0.00 53.44 53.23 2k5e n ALA 38 Cb 0.61 -1.13 0.20 0.00 0.00 0.00 0.00 19.45 19.13 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 0.00 1.10 -0.52 0.00 1.08 -1.89 -1.34 115.11 113.54 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 0.00 -0.25 0.00 0.00 -0.05 0.00 0.00 27.48 27.18 2k5e h GLN 39 CO 0.00 0.73 0.00 0.09 -0.95 0.00 0.00 178.83 178.70 2k5e n ASN 40 N -4.47 2.67 -4.74 1.46 3.02 -1.25 -1.55 115.26 110.40 2k5e n ASN 40 Ca 0.14 -2.14 -0.29 0.00 -0.03 0.00 0.00 54.58 52.26 2k5e n ASN 40 Cb 0.16 -0.37 -0.07 0.00 -0.61 0.00 0.00 39.78 38.89 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 -1.58 2.72 0.52 3.52 2.12 -0.50 -4.91 118.70 120.58 2k5e s GLU 41 Ca 0.29 -0.85 -0.20 0.00 0.36 0.00 0.00 54.97 54.58 2k5e s GLU 41 Cb 0.17 -2.59 -0.07 0.00 0.26 0.00 0.00 34.13 31.90 2k5e s GLU 41 CO 0.17 0.52 1.09 -1.12 -0.54 0.00 0.00 175.26 175.38 2k5e s SER 42 N -2.66 5.98 0.23 -1.70 0.01 -1.26 -1.53 113.70 112.77 2k5e s SER 42 Ca 0.28 2.08 -0.06 0.00 1.31 0.00 0.00 55.95 59.57 2k5e s SER 42 Cb -0.11 -2.57 0.38 0.00 0.21 0.00 0.00 66.02 63.92 2k5e s SER 42 CO 0.21 -1.04 1.78 -0.07 0.41 0.00 0.00 173.24 174.54 2k5e h LEU 43 N 1.36 0.51 -0.62 2.44 3.38 -0.48 -2.11 115.31 119.81 2k5e h LEU 43 Ca -0.50 0.06 -0.00 0.00 0.09 0.00 0.00 57.88 57.53 2k5e h LEU 43 Cb 1.25 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 41.94 2k5e h LEU 43 CO 0.58 0.28 0.38 -0.08 0.09 0.00 0.00 178.44 179.69 2k5e h GLU 44 N 0.64 0.83 0.08 1.13 4.81 -1.55 -1.66 114.58 118.87 2k5e h GLU 44 Ca 0.38 -0.07 -0.00 0.00 -0.13 0.00 0.00 59.36 59.53 2k5e h GLU 44 Cb 0.41 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 29.61 2k5e h GLU 44 CO -0.28 0.59 -0.04 1.96 -0.73 0.00 0.00 179.01 180.51 2k5e h GLN 45 N 0.84 -0.11 -0.70 1.92 4.20 -1.65 -0.80 115.11 118.81 2k5e h GLN 45 Ca 0.22 0.01 0.02 0.00 0.06 0.00 0.00 58.65 58.96 2k5e h GLN 45 Cb -0.04 0.02 -0.04 0.00 0.30 0.00 0.00 27.48 27.73 2k5e h GLN 45 CO -0.04 0.03 0.46 0.78 -0.67 0.00 0.00 178.83 179.39 2k5e h GLY 46 N -0.23 0.97 0.91 3.46 0.00 -1.46 -0.36 103.07 106.36 2k5e h GLY 46 Ca -0.01 -0.35 -0.02 0.00 0.00 0.00 0.00 47.33 46.94 2k5e h GLY 46 CO 0.02 0.33 -0.30 0.00 0.00 0.00 0.00 176.54 176.60 2k5e h ALA 47 N 1.58 -0.77 -0.17 3.60 0.00 -0.82 -2.44 119.26 120.25 2k5e h ALA 47 Ca 0.26 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 2k5e h ALA 47 Cb -0.05 0.35 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 2k5e h ALA 47 CO -0.06 -0.94 0.08 -0.91 0.00 0.00 0.00 179.25 177.42 2k5e h ASN 48 N -0.76 0.20 0.05 0.00 2.35 -0.94 0.99 115.58 117.47 2k5e h ASN 48 Ca -0.06 -0.01 -0.01 0.00 -0.55 0.00 0.00 56.30 55.67 2k5e h ASN 48 Cb 0.61 -0.05 -0.00 0.00 0.05 0.00 0.00 38.32 38.93 2k5e h ASN 48 CO 0.08 0.17 -0.04 0.00 -1.65 0.00 0.00 177.43 175.99 2k5e h ALA 49 N 1.87 1.74 -0.47 -0.83 0.00 -0.70 -1.49 119.26 119.37 2k5e h ALA 49 Ca 0.06 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.94 2k5e h ALA 49 Cb 0.02 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.81 2k5e h ALA 49 CO -0.01 0.05 0.00 0.72 0.00 0.00 0.00 179.25 180.01 2k5e n HIS 50 N -4.20 0.62 -3.10 0.00 8.25 -0.33 -4.99 115.22 111.48 2k5e n HIS 50 Ca -0.03 -0.45 -0.14 0.00 -0.26 0.00 0.00 57.72 56.85 2k5e n HIS 50 Cb 0.12 -0.01 0.06 0.00 1.12 0.00 0.00 29.99 31.27 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 1.01 -0.07 3.48 -1.41 0.00 -0.54 -5.05 105.19 102.61 2k5e n GLY 51 Ca 0.17 -0.07 -0.23 0.00 0.00 0.00 0.00 46.02 45.88 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 -5.06 2.58 -0.38 0.99 1.43 0.19 -4.97 118.68 113.46 2k5e s LEU 52 Ca 0.20 -1.19 -0.15 0.00 -1.03 0.00 0.00 54.13 51.96 2k5e s LEU 52 Cb -0.09 -0.79 0.00 0.00 0.03 0.00 0.00 46.19 45.34 2k5e s LEU 52 CO 0.49 -0.28 0.35 0.21 0.23 0.00 0.00 176.35 177.35 2k5e s ASN 53 N -3.51 6.15 0.42 2.29 2.47 -1.26 -3.79 114.94 117.71 2k5e s ASN 53 Ca 0.31 -0.53 0.11 0.00 0.42 0.00 0.00 52.86 53.17 2k5e s ASN 53 Cb 0.03 -2.19 0.97 0.00 -1.45 0.00 0.00 41.25 38.61 2k5e s ASN 53 CO 0.14 -0.41 2.00 1.62 -3.72 0.00 0.00 177.10 176.73 2k5e h VAL 54 N 5.60 0.96 -0.41 -5.21 3.04 -1.90 -2.02 116.25 116.32 2k5e h VAL 54 Ca -0.28 -0.16 -0.01 0.00 -1.01 0.00 0.00 66.70 65.23 2k5e h VAL 54 Cb 1.13 0.45 -0.02 0.00 -2.01 0.00 0.00 31.29 30.84 2k5e h VAL 54 CO 0.72 0.09 0.20 -0.33 -1.01 0.00 0.00 177.57 177.23 2k5e h GLU 55 N 0.47 0.57 -0.17 4.17 5.08 -1.99 0.12 114.58 122.83 2k5e h GLU 55 Ca 0.24 -0.06 -0.19 0.00 -1.00 0.00 0.00 59.36 58.36 2k5e h GLU 55 Cb 0.36 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 29.49 2k5e h GLU 55 CO -0.07 0.44 -0.65 0.22 -1.00 0.00 0.00 179.01 177.96 2k5e h ASP 56 N 0.57 0.73 -0.16 1.42 3.58 -1.80 -2.85 116.42 117.93 2k5e h ASP 56 Ca 0.15 -0.44 -0.02 0.00 0.42 0.00 0.00 57.03 57.14 2k5e h ASP 56 Cb 0.06 -0.21 -0.01 0.00 1.72 0.00 0.00 39.33 40.89 2k5e h ASP 56 CO -0.02 1.19 0.04 0.40 -2.88 0.00 0.00 179.24 177.97 2k5e h ILE 57 N 0.47 1.20 -0.69 2.25 2.04 -1.15 -2.87 117.51 118.75 2k5e h ILE 57 Ca -0.02 -0.63 0.12 0.00 1.00 0.00 0.00 64.86 65.33 2k5e h ILE 57 Cb 1.24 1.33 -0.04 0.00 -0.74 0.00 0.00 36.82 38.60 2k5e h ILE 57 CO 0.13 0.19 0.46 -0.07 0.00 0.00 0.00 178.15 178.86 2k5e h LEU 58 N 0.06 0.42 -0.05 1.44 3.38 -0.83 -0.62 115.31 119.10 2k5e h LEU 58 Ca 0.05 0.02 0.04 0.00 0.09 0.00 0.00 57.88 58.07 2k5e h LEU 58 Cb 0.26 -0.07 -0.06 0.00 0.09 0.00 0.00 40.66 40.88 2k5e h LEU 58 CO 0.00 0.24 -0.39 -0.09 0.09 0.00 0.00 178.44 178.29 2k5e h ARG 59 N 0.46 -0.49 -0.06 1.13 2.43 -1.26 0.08 114.38 116.67 2k5e h ARG 59 Ca 0.33 0.03 -0.16 0.00 -0.81 0.00 0.00 59.98 59.38 2k5e h ARG 59 Cb 0.65 0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 30.30 2k5e h ARG 59 CO -0.10 -0.33 -0.66 0.22 -1.51 0.00 0.00 179.97 177.59 2k5e h ASP 60 N -0.51 0.28 0.18 -3.80 3.58 -1.37 -2.66 116.42 112.12 2k5e h ASP 60 Ca 0.06 -0.17 -0.01 0.00 0.42 0.00 0.00 57.03 57.33 2k5e h ASP 60 Cb 0.62 -0.08 0.00 0.00 1.72 0.00 0.00 39.33 41.59 2k5e h ASP 60 CO -0.33 0.86 -0.09 -0.07 -2.88 0.00 0.00 179.24 176.72 2k5e h LEU 61 N 0.17 -0.21 -1.47 2.28 3.38 -0.92 -2.93 115.31 115.62 2k5e h LEU 61 Ca -0.01 -0.15 -0.06 0.00 0.09 0.00 0.00 57.88 57.75 2k5e h LEU 61 Cb 1.18 0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.98 2k5e h LEU 61 CO 0.10 0.04 -0.26 0.78 0.09 0.00 0.00 178.44 179.19 2k5e h ASN 62 N -0.45 0.00 -0.36 -0.43 2.35 -1.04 -1.79 115.58 113.87 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 0.35 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.70 2k5e h ASN 62 CO 0.04 0.26 0.24 0.00 -1.65 0.00 0.00 177.43 176.32 2k5e h ALA 63 N 1.74 1.90 0.00 -0.83 0.00 -1.35 -0.81 119.26 119.91 2k5e h ALA 63 Ca -0.00 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 2k5e h ALA 63 Cb 0.54 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.24 2k5e h ALA 63 CO 0.03 0.05 -0.06 -0.07 0.00 0.00 0.00 179.25 179.21 2k5e h LEU 64 N 0.35 0.00 0.00 0.00 3.38 -1.14 0.44 115.31 118.35 2k5e h LEU 64 Ca 0.15 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.12 2k5e h LEU 64 Cb 0.15 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.90 2k5e h LEU 64 CO -0.03 0.06 -0.50 0.00 0.09 0.00 0.00 178.44 178.06 2k5e h ALA 65 N 1.94 0.71 0.00 1.53 0.00 -1.24 -3.38 119.26 118.83 2k5e h ALA 65 Ca -0.00 0.00 -0.24 0.00 0.00 0.00 0.00 54.91 54.67 2k5e h ALA 65 Cb 0.15 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.90 2k5e h ALA 65 CO 0.01 0.00 -1.47 1.28 0.00 0.00 0.00 179.25 179.06 2k5e n LEU 66 N -2.46 1.89 0.00 0.00 4.77 -0.50 -4.97 117.00 115.73 2k5e n LEU 66 Ca 0.03 0.43 0.00 0.00 -0.03 0.00 0.00 56.01 56.44 2k5e n LEU 66 Cb 0.48 -0.89 0.00 0.00 -2.33 0.00 0.00 43.42 40.68 2k5e n LEU 66 CO 0.36 0.19 0.00 -0.62 -1.33 0.00 0.00 177.39 175.99 2k5e n GLU 67 N -4.41 0.00 -1.70 3.23 1.02 0.03 -4.89 120.64 113.91 2k5e n GLU 67 Ca -0.33 0.00 -0.43 0.00 -0.02 0.00 0.00 57.16 56.39 2k5e n GLU 67 Cb 0.66 0.00 -0.03 0.00 -0.02 0.00 0.00 31.44 32.05 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 0.00 1.34 -0.09 -0.32 3.76 -1.26 -4.91 115.29 113.80 2k5e s HIS 68 Ca 0.00 0.17 -0.30 0.00 -0.15 0.00 0.00 55.06 54.78 2k5e s HIS 68 Cb 0.00 -4.06 -0.02 0.00 1.11 0.00 0.00 32.58 29.61 2k5e s HIS 68 CO 0.00 -4.47 1.13 -1.01 -0.85 0.00 0.00 174.74 169.54 2k5e s HIS 69 N 6.47 3.29 0.03 1.40 3.76 -1.26 -5.02 115.29 123.96 2k5e s HIS 69 Ca 0.92 1.34 -0.22 0.00 -0.15 0.00 0.00 55.06 56.95 2k5e s HIS 69 Cb -0.35 -3.34 -0.06 0.00 1.11 0.00 0.00 32.58 29.94 2k5e s HIS 69 CO 0.37 -0.93 0.64 -1.01 -0.85 0.00 0.00 174.74 172.96 2k5e s HIS 70 N 2.28 3.73 -0.33 1.40 3.76 -1.26 -4.99 115.29 119.87 2k5e s HIS 70 Ca 0.53 1.30 -0.29 0.00 -0.15 0.00 0.00 55.06 56.45 2k5e s HIS 70 Cb -0.22 -2.65 -0.01 0.00 1.11 0.00 0.00 32.58 30.81 2k5e s HIS 70 CO 0.19 0.38 1.69 -1.01 -0.85 0.00 0.00 174.74 175.14 2k5e s HIS 71 N -0.35 1.98 -0.24 1.40 3.76 -1.26 -4.95 115.29 115.63 2k5e s HIS 71 Ca 0.33 0.62 -0.27 0.00 -0.15 0.00 0.00 55.06 55.59 2k5e s HIS 71 Cb -0.19 -4.15 0.11 0.00 1.11 0.00 0.00 32.58 29.46 2k5e s HIS 71 CO 0.19 -2.75 0.96 -3.38 -0.85 0.00 0.00 174.74 168.91 2k5e s HIS 72 N 6.33 -0.51 0.00 1.40 -3.43 -1.26 -5.37 115.29 112.45 2k5e s HIS 72 Ca 0.75 1.14 0.00 0.00 -0.80 0.00 0.00 55.06 56.15 2k5e s HIS 72 Cb -0.21 0.37 0.00 0.00 -1.43 0.00 0.00 32.58 31.31 2k5e s HIS 72 CO 0.33 -0.30 0.00 -2.39 -2.00 0.00 0.00 174.74 170.38