#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 0.03 0.60 2.03 -1.32 -1.26 -5.16 115.64 110.56 2k5e s THR 2 Ca 0.00 -0.26 -0.15 0.00 -1.21 0.00 0.00 61.69 60.07 2k5e s THR 2 Cb 0.00 -0.73 -0.04 0.00 -1.51 0.00 0.00 72.50 70.23 2k5e s THR 2 CO 0.00 -0.14 1.05 -1.10 -2.21 0.00 0.00 174.62 172.22 2k5e s GLN 3 N -1.01 3.34 0.18 7.08 -0.21 -1.26 -4.97 119.66 122.81 2k5e s GLN 3 Ca -0.10 1.13 0.09 0.00 0.02 0.00 0.00 55.36 56.50 2k5e s GLN 3 Cb -0.03 -2.04 -0.04 0.00 1.00 0.00 0.00 33.01 31.90 2k5e s GLN 3 CO 0.05 -0.78 1.38 0.87 -2.12 0.00 0.00 175.29 174.69 2k5e h LYS 4 N 0.32 0.00 -4.56 2.91 1.79 -1.97 -3.43 116.57 111.63 2k5e h LYS 4 Ca -0.46 0.00 -0.57 0.00 -2.18 0.00 0.00 60.65 57.44 2k5e h LYS 4 Cb 1.21 0.00 -0.35 0.00 -1.58 0.00 0.00 32.23 31.51 2k5e h LYS 4 CO 0.58 0.84 -0.82 -0.06 -1.08 0.00 0.00 179.45 178.91 2k5e s PHE 5 N -2.94 1.83 0.34 -1.35 0.40 -1.26 -5.05 117.98 109.96 2k5e s PHE 5 Ca 0.01 -0.91 0.07 0.00 -0.60 0.00 0.00 56.93 55.51 2k5e s PHE 5 Cb 0.10 -1.37 -0.07 0.00 0.51 0.00 0.00 43.02 42.19 2k5e s PHE 5 CO 0.79 -0.51 -0.04 -0.08 0.70 0.00 0.00 175.22 176.08 2k5e s THR 6 N 1.27 1.88 0.45 0.64 -1.32 -1.26 -4.87 115.64 112.43 2k5e s THR 6 Ca -0.01 -2.11 0.17 0.00 -1.21 0.00 0.00 61.69 58.53 2k5e s THR 6 Cb -0.14 -2.70 0.21 0.00 -1.51 0.00 0.00 72.50 68.37 2k5e s THR 6 CO -0.05 -0.15 2.03 0.07 -2.21 0.00 0.00 174.62 174.30 2k5e h LYS 7 N 2.04 0.00 -0.19 7.08 2.10 -1.97 -3.09 116.57 122.54 2k5e h LYS 7 Ca -0.42 0.00 -0.15 0.00 -2.00 0.00 0.00 60.65 58.08 2k5e h LYS 7 Cb 1.24 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.56 2k5e h LYS 7 CO 0.72 0.16 -0.51 0.22 -2.00 0.00 0.00 179.45 178.03 2k5e h ASP 8 N 0.00 0.60 -4.04 7.07 3.58 -1.96 -2.97 116.42 118.70 2k5e h ASP 8 Ca -0.00 -0.30 -0.49 0.00 0.42 0.00 0.00 57.03 56.65 2k5e h ASP 8 Cb 0.29 -0.17 0.05 0.00 1.72 0.00 0.00 39.33 41.23 2k5e h ASP 8 CO 0.02 1.00 0.43 0.00 -2.88 0.00 0.00 179.24 177.81 2k5e s MET 9 N -4.05 3.68 0.57 0.28 0.23 -1.17 -4.72 119.30 114.12 2k5e s MET 9 Ca -0.07 1.58 -0.07 0.00 -1.03 0.00 0.00 55.69 56.10 2k5e s MET 9 Cb 0.12 -2.21 -0.02 0.00 -1.53 0.00 0.00 34.83 31.19 2k5e s MET 9 CO 0.83 -0.57 0.91 0.95 -2.03 0.00 0.00 175.02 175.11 2k5e s THR 10 N -1.74 4.28 0.26 3.16 -4.23 -1.26 -1.84 115.64 114.26 2k5e s THR 10 Ca 0.67 0.31 -0.02 0.00 -1.18 0.00 0.00 61.69 61.46 2k5e s THR 10 Cb -0.23 -3.68 0.23 0.00 1.34 0.00 0.00 72.50 70.16 2k5e s THR 10 CO 0.27 -0.76 1.79 -0.26 -0.54 0.00 0.00 174.62 175.13 2k5e h PHE 11 N -0.13 0.83 -0.23 3.99 0.04 -1.32 -1.46 116.94 118.66 2k5e h PHE 11 Ca -0.46 0.03 0.03 0.00 2.80 0.00 0.00 57.97 60.38 2k5e h PHE 11 Cb 1.22 -0.25 -0.03 0.00 2.20 0.00 0.00 35.95 39.10 2k5e h PHE 11 CO 0.55 0.28 0.04 0.00 -0.60 0.00 0.00 178.31 178.58 2k5e h ALA 12 N 1.51 0.24 -0.55 2.45 0.00 -1.73 -1.60 119.26 119.58 2k5e h ALA 12 Ca 0.44 0.04 0.03 0.00 0.00 0.00 0.00 54.91 55.42 2k5e h ALA 12 Cb 0.51 0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.32 2k5e h ALA 12 CO -0.30 -0.38 0.32 1.96 0.00 0.00 0.00 179.25 180.84 2k5e h GLN 13 N 0.13 0.60 -0.25 0.00 4.20 -1.63 -1.83 115.11 116.34 2k5e h GLN 13 Ca 0.11 -0.04 0.03 0.00 0.06 0.00 0.00 58.65 58.81 2k5e h GLN 13 Cb 0.11 -0.14 -0.03 0.00 0.30 0.00 0.00 27.48 27.72 2k5e h GLN 13 CO -0.14 0.40 0.04 0.00 -0.67 0.00 0.00 178.83 178.46 2k5e h ALA 14 N 1.26 0.25 -0.86 3.87 0.00 -0.90 0.09 119.26 122.96 2k5e h ALA 14 Ca 0.23 0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.18 2k5e h ALA 14 Cb 0.06 0.06 -0.04 0.00 0.00 0.00 0.00 17.79 17.87 2k5e h ALA 14 CO -0.11 -0.37 0.54 -0.07 0.00 0.00 0.00 179.25 179.23 2k5e h LEU 15 N 0.14 1.02 -0.95 0.00 3.38 -1.06 -1.11 115.31 116.73 2k5e h LEU 15 Ca 0.12 -0.05 -0.02 0.00 0.09 0.00 0.00 57.88 58.02 2k5e h LEU 15 Cb 0.12 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.61 2k5e h LEU 15 CO -0.16 0.77 -0.08 1.56 0.09 0.00 0.00 178.44 180.62 2k5e h GLN 16 N 1.18 0.00 0.00 1.13 1.08 -0.80 -3.30 115.11 114.40 2k5e h GLN 16 Ca 0.31 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.50 2k5e h GLN 16 Cb -0.08 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.35 2k5e h GLN 16 CO -0.06 0.08 -0.08 1.15 -0.95 0.00 0.00 178.83 178.97 2k5e h THR 17 N 0.00 1.27 -3.30 -0.54 2.02 0.02 -3.46 112.91 108.91 2k5e h THR 17 Ca -0.00 -1.98 -0.41 0.00 0.77 0.00 0.00 66.41 64.80 2k5e h THR 17 Cb 0.73 2.42 -0.38 0.00 -1.74 0.00 0.00 68.15 69.18 2k5e h THR 17 CO 0.01 0.43 -0.76 -1.00 0.37 0.00 0.00 175.52 174.57 2k5e s HIS 18 N -2.06 0.42 0.42 3.16 3.76 -0.52 -5.04 115.29 115.43 2k5e s HIS 18 Ca -0.15 -0.00 0.13 0.00 -0.15 0.00 0.00 55.06 54.89 2k5e s HIS 18 Cb -0.02 -0.65 0.98 0.00 1.11 0.00 0.00 32.58 34.00 2k5e s HIS 18 CO 0.50 -0.26 1.96 -1.35 -0.85 0.00 0.00 174.74 174.74 2k5e h PRO 19 N 8.27 0.47 -0.00 8.40 0.11 -1.84 -1.38 132.00 146.02 2k5e h PRO 19 Ca -0.19 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.89 2k5e h PRO 19 Cb 1.12 -0.11 -0.00 0.00 0.11 0.00 0.00 31.00 32.13 2k5e h PRO 19 CO 0.24 0.31 0.03 0.78 -0.21 0.00 0.00 178.00 179.15 2k5e h GLY 20 N 0.48 0.00 1.73 -0.55 0.00 -1.94 -2.29 103.07 100.50 2k5e h GLY 20 Ca 0.31 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.65 2k5e h GLY 20 CO -0.10 0.00 0.18 -2.08 0.00 0.00 0.00 176.54 174.54 2k5e h VAL 21 N 0.00 1.07 -0.17 4.60 2.07 -1.56 -2.76 116.25 119.51 2k5e h VAL 21 Ca 0.00 -0.15 0.04 0.00 0.82 0.00 0.00 66.70 67.42 2k5e h VAL 21 Cb 0.07 0.67 -0.04 0.00 -1.52 0.00 0.00 31.29 30.46 2k5e h VAL 21 CO -0.00 0.07 -0.11 0.00 0.02 0.00 0.00 177.57 177.56 2k5e h ALA 22 N 1.82 0.02 -0.95 1.67 0.00 -1.61 0.24 119.26 120.45 2k5e h ALA 22 Ca 0.10 0.07 -0.00 0.00 0.00 0.00 0.00 54.91 55.08 2k5e h ALA 22 Cb -0.03 0.24 -0.05 0.00 0.00 0.00 0.00 17.79 17.95 2k5e h ALA 22 CO -0.02 -0.55 0.59 0.78 0.00 0.00 0.00 179.25 180.05 2k5e h GLY 23 N -0.11 1.37 0.99 0.00 0.00 -1.69 -1.31 103.07 102.33 2k5e h GLY 23 Ca 0.10 -0.56 -0.03 0.00 0.00 0.00 0.00 47.33 46.85 2k5e h GLY 23 CO -0.23 0.54 -0.26 -2.08 0.00 0.00 0.00 176.54 174.51 2k5e h VAL 24 N 1.31 0.47 -0.11 4.60 2.07 -1.22 -0.62 116.25 122.76 2k5e h VAL 24 Ca 0.34 -0.03 0.03 0.00 0.82 0.00 0.00 66.70 67.86 2k5e h VAL 24 Cb -0.08 0.48 -0.03 0.00 -1.52 0.00 0.00 31.29 30.14 2k5e h VAL 24 CO -0.07 0.01 -0.09 -0.07 0.02 0.00 0.00 177.57 177.37 2k5e h LEU 25 N -0.74 -0.28 -1.62 2.57 3.38 -0.86 -2.13 115.31 115.63 2k5e h LEU 25 Ca -0.07 0.06 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 2k5e h LEU 25 Cb 0.56 0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.44 2k5e h LEU 25 CO 0.12 -0.12 0.05 0.03 0.09 0.00 0.00 178.44 178.61 2k5e h ARG 26 N -0.10 0.29 -0.65 1.13 3.08 -1.22 0.27 114.38 117.17 2k5e h ARG 26 Ca 0.07 -0.04 -0.04 0.00 0.07 0.00 0.00 59.98 60.05 2k5e h ARG 26 Cb 0.21 -0.06 -0.03 0.00 0.08 0.00 0.00 29.97 30.17 2k5e h ARG 26 CO -0.17 0.28 0.25 1.03 -1.07 0.00 0.00 179.97 180.29 2k5e h SER 27 N 0.29 0.89 -0.36 7.04 0.87 -0.46 -2.21 113.55 119.62 2k5e h SER 27 Ca 0.07 -0.13 0.00 0.00 -1.23 0.00 0.00 61.79 60.50 2k5e h SER 27 Cb 0.12 -0.23 0.00 0.00 -0.44 0.00 0.00 62.40 61.85 2k5e h SER 27 CO -0.00 0.80 0.00 -1.22 -0.53 0.00 0.00 176.83 175.88 2k5e n TYR 28 N -4.30 0.58 -3.25 2.24 4.02 -0.63 -4.91 117.16 110.90 2k5e n TYR 28 Ca 0.06 -0.26 -0.16 0.00 -0.01 0.00 0.00 57.90 57.52 2k5e n TYR 28 Cb 0.18 -0.05 0.07 0.00 -0.02 0.00 0.00 39.34 39.52 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 0.54 -3.45 -0.61 7.72 2.85 -0.83 -4.94 115.26 116.54 2k5e n ASN 29 Ca 0.13 -0.47 0.06 0.00 -0.11 0.00 0.00 54.58 54.18 2k5e n ASN 29 Cb 0.37 -4.21 0.16 0.00 1.24 0.00 0.00 39.78 37.35 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 -3.78 3.06 0.17 1.20 4.77 0.85 -4.69 117.00 118.58 2k5e n LEU 30 Ca -0.14 -2.34 0.04 0.00 -0.03 0.00 0.00 56.01 53.54 2k5e n LEU 30 Cb 0.60 -0.30 0.24 0.00 -2.33 0.00 0.00 43.42 41.63 2k5e n LEU 30 CO 0.51 0.69 0.60 1.23 -1.33 0.00 0.00 177.39 179.08 2k5e h GLY 31 N 1.62 0.00 2.00 -0.72 0.00 -1.84 -3.11 103.07 101.02 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 0.06 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.60 2k5e h ILE 33 N 0.00 0.49 -0.41 0.00 3.07 -1.92 0.20 117.51 118.93 2k5e h ILE 33 Ca 0.00 -0.14 -0.11 0.00 1.55 0.00 0.00 64.86 66.15 2k5e h ILE 33 Cb 0.08 0.03 -0.01 0.00 -0.27 0.00 0.00 36.82 36.65 2k5e h ILE 33 CO 0.00 0.08 -0.17 1.23 -1.05 0.00 0.00 178.15 178.23 2k5e h GLY 34 N 0.42 0.92 0.71 0.16 0.00 -1.84 0.37 103.07 103.81 2k5e h GLY 34 Ca 0.63 -0.81 -0.01 0.00 0.00 0.00 0.00 47.33 47.14 2k5e h GLY 34 CO -0.37 0.74 -0.07 0.00 0.00 0.00 0.00 176.54 176.84 2k5e n MET 36 N -5.05 0.02 -2.15 0.00 0.00 -0.34 -4.91 117.12 104.70 2k5e n MET 36 Ca -0.09 0.11 -0.05 0.00 0.00 0.00 0.00 57.70 57.68 2k5e n MET 36 Cb 0.21 -1.53 -0.00 0.00 0.00 0.00 0.00 33.22 31.90 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 0.90 0.20 1.45 3.17 0.00 -0.49 -4.93 105.19 105.48 2k5e n GLY 37 Ca 0.06 -0.66 -0.08 0.00 0.00 0.00 0.00 46.02 45.33 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 -1.38 3.68 -0.01 4.61 0.00 0.12 -4.40 120.51 123.13 2k5e n ALA 38 Ca -0.05 -0.93 0.01 0.00 0.00 0.00 0.00 53.44 52.46 2k5e n ALA 38 Cb 0.54 -1.16 0.32 0.00 0.00 0.00 0.00 19.45 19.16 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 0.48 0.55 -0.51 0.00 1.08 -1.92 -1.75 115.11 113.03 2k5e h GLN 39 Ca 0.20 -0.09 0.00 0.00 -1.45 0.00 0.00 58.65 57.30 2k5e h GLN 39 Cb 1.47 -0.09 0.00 0.00 -0.05 0.00 0.00 27.48 28.81 2k5e h GLN 39 CO 0.37 0.52 0.00 0.09 -0.95 0.00 0.00 178.83 178.86 2k5e n ASN 40 N -4.33 2.43 -4.76 1.46 3.02 -1.26 -2.21 115.26 109.61 2k5e n ASN 40 Ca 0.02 -2.16 -0.38 0.00 -0.03 0.00 0.00 54.58 52.03 2k5e n ASN 40 Cb 0.20 -0.36 -0.06 0.00 -0.61 0.00 0.00 39.78 38.94 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 -1.63 4.24 0.60 3.52 2.12 -0.66 -4.90 118.70 121.98 2k5e s GLU 41 Ca 0.25 0.55 -0.16 0.00 0.36 0.00 0.00 54.97 55.97 2k5e s GLU 41 Cb 0.15 -3.35 -0.03 0.00 0.26 0.00 0.00 34.13 31.16 2k5e s GLU 41 CO 0.14 0.36 1.06 -1.54 -0.54 0.00 0.00 175.26 174.74 2k5e s SER 42 N -0.07 5.72 0.28 -1.70 1.04 -1.26 -1.53 113.70 116.18 2k5e s SER 42 Ca 0.27 1.85 0.01 0.00 0.48 0.00 0.00 55.95 58.56 2k5e s SER 42 Cb -0.17 -2.54 0.54 0.00 0.10 0.00 0.00 66.02 63.95 2k5e s SER 42 CO 0.14 -1.21 1.83 -0.07 0.98 0.00 0.00 173.24 174.90 2k5e h LEU 43 N 0.44 0.88 -0.26 2.42 3.38 -1.20 -2.22 115.31 118.76 2k5e h LEU 43 Ca -0.47 0.05 -0.05 0.00 0.09 0.00 0.00 57.88 57.50 2k5e h LEU 43 Cb 1.22 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.84 2k5e h LEU 43 CO 0.57 0.47 -0.02 -0.08 0.09 0.00 0.00 178.44 179.47 2k5e h GLU 44 N 0.96 0.47 -0.12 1.13 4.81 -1.86 -0.79 114.58 119.18 2k5e h GLU 44 Ca 0.49 -0.16 0.04 0.00 -0.13 0.00 0.00 59.36 59.59 2k5e h GLU 44 Cb 0.49 -0.04 -0.04 0.00 0.63 0.00 0.00 28.75 29.79 2k5e h GLU 44 CO -0.27 0.66 -0.12 1.96 -0.73 0.00 0.00 179.01 180.51 2k5e h GLN 45 N 0.23 -0.14 -0.58 1.92 4.20 -1.71 -1.90 115.11 117.13 2k5e h GLN 45 Ca 0.07 0.01 -0.05 0.00 0.06 0.00 0.00 58.65 58.74 2k5e h GLN 45 Cb 0.46 0.03 -0.03 0.00 0.30 0.00 0.00 27.48 28.24 2k5e h GLN 45 CO 0.02 -0.09 0.15 0.78 -0.67 0.00 0.00 178.83 179.02 2k5e h GLY 46 N -0.14 0.96 0.57 3.46 0.00 -1.45 -2.23 103.07 104.23 2k5e h GLY 46 Ca 0.08 -0.56 -0.02 0.00 0.00 0.00 0.00 47.33 46.84 2k5e h GLY 46 CO -0.21 0.52 -0.51 0.00 0.00 0.00 0.00 176.54 176.35 2k5e h ALA 47 N 1.30 -1.18 -0.96 3.60 0.00 -0.52 -1.57 119.26 119.92 2k5e h ALA 47 Ca 0.19 -0.21 0.02 0.00 0.00 0.00 0.00 54.91 54.91 2k5e h ALA 47 Cb 0.29 0.71 -0.05 0.00 0.00 0.00 0.00 17.79 18.75 2k5e h ALA 47 CO -0.00 -1.20 0.63 -0.91 0.00 0.00 0.00 179.25 177.77 2k5e h ASN 48 N -1.06 1.09 -0.08 0.00 2.35 -1.39 0.28 115.58 116.78 2k5e h ASN 48 Ca -0.07 -0.02 0.01 0.00 -0.55 0.00 0.00 56.30 55.67 2k5e h ASN 48 Cb 0.90 -0.27 -0.00 0.00 0.05 0.00 0.00 38.32 39.00 2k5e h ASN 48 CO -0.03 0.78 0.05 0.00 -1.65 0.00 0.00 177.43 176.58 2k5e h ALA 49 N 1.41 2.02 -0.33 -0.83 0.00 -1.17 -1.61 119.26 118.75 2k5e h ALA 49 Ca 0.36 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.27 2k5e h ALA 49 Cb -0.11 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.67 2k5e h ALA 49 CO -0.09 -0.04 0.00 0.72 0.00 0.00 0.00 179.25 179.85 2k5e n HIS 50 N -4.52 0.42 -2.18 0.00 8.25 -0.61 -4.97 115.22 111.61 2k5e n HIS 50 Ca -0.01 -0.24 -0.01 0.00 -0.26 0.00 0.00 57.72 57.19 2k5e n HIS 50 Cb 0.13 -0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.24 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 1.32 0.47 3.58 -1.41 0.00 -0.61 -5.07 105.19 103.48 2k5e n GLY 51 Ca 0.17 -0.77 -0.25 0.00 0.00 0.00 0.00 46.02 45.17 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 -0.68 2.84 -0.27 0.99 1.43 0.90 -4.98 118.68 118.91 2k5e s LEU 52 Ca 0.01 -1.06 -0.12 0.00 -1.03 0.00 0.00 54.13 51.93 2k5e s LEU 52 Cb -0.00 -1.20 -0.05 0.00 0.03 0.00 0.00 46.19 44.97 2k5e s LEU 52 CO 0.01 -0.17 0.24 0.21 0.23 0.00 0.00 176.35 176.87 2k5e s ASN 53 N -3.64 6.11 0.30 2.29 3.84 -1.26 -3.56 114.94 119.01 2k5e s ASN 53 Ca 0.33 0.10 0.04 0.00 0.21 0.00 0.00 52.86 53.54 2k5e s ASN 53 Cb -0.00 -2.14 0.65 0.00 -0.55 0.00 0.00 41.25 39.20 2k5e s ASN 53 CO 0.18 -0.06 1.83 1.62 -2.79 0.00 0.00 177.10 177.87 2k5e h VAL 54 N 5.30 0.86 -0.51 -5.21 3.04 -1.89 -1.93 116.25 115.91 2k5e h VAL 54 Ca -0.35 -0.31 -0.02 0.00 -1.01 0.00 0.00 66.70 65.01 2k5e h VAL 54 Cb 1.18 -0.11 -0.02 0.00 -2.01 0.00 0.00 31.29 30.33 2k5e h VAL 54 CO 0.60 0.16 0.23 -0.33 -1.01 0.00 0.00 177.57 177.22 2k5e h GLU 55 N 0.89 0.75 -0.25 4.17 5.08 -1.98 0.57 114.58 123.81 2k5e h GLU 55 Ca 0.51 -0.12 -0.03 0.00 -1.00 0.00 0.00 59.36 58.72 2k5e h GLU 55 Cb 0.62 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.73 2k5e h GLU 55 CO -0.28 0.64 0.03 0.22 -1.00 0.00 0.00 179.01 178.63 2k5e h ASP 56 N 0.68 0.32 0.03 1.42 3.58 -1.79 -0.23 116.42 120.44 2k5e h ASP 56 Ca 0.17 -0.04 -0.00 0.00 0.42 0.00 0.00 57.03 57.58 2k5e h ASP 56 Cb 0.15 -0.08 0.00 0.00 1.72 0.00 0.00 39.33 41.12 2k5e h ASP 56 CO -0.02 0.35 -0.02 0.40 -2.88 0.00 0.00 179.24 177.08 2k5e h ILE 57 N 0.35 1.39 -0.62 2.25 2.04 -1.02 -3.25 117.51 118.65 2k5e h ILE 57 Ca 0.08 -1.59 0.16 0.00 1.00 0.00 0.00 64.86 64.51 2k5e h ILE 57 Cb 0.18 2.42 -0.03 0.00 -0.74 0.00 0.00 36.82 38.65 2k5e h ILE 57 CO 0.00 0.39 0.44 -0.07 0.00 0.00 0.00 178.15 178.91 2k5e h LEU 58 N -0.77 0.11 -0.10 1.44 3.38 -0.67 -1.50 115.31 117.20 2k5e h LEU 58 Ca -0.00 0.01 0.04 0.00 0.09 0.00 0.00 57.88 58.01 2k5e h LEU 58 Cb 0.67 -0.02 -0.06 0.00 0.09 0.00 0.00 40.66 41.35 2k5e h LEU 58 CO 0.01 0.06 -0.39 -0.09 0.09 0.00 0.00 178.44 178.11 2k5e h ARG 59 N 0.12 -0.47 -0.19 1.13 2.43 -1.07 -0.35 114.38 115.98 2k5e h ARG 59 Ca 0.30 0.03 -0.21 0.00 -0.81 0.00 0.00 59.98 59.29 2k5e h ARG 59 Cb 1.02 0.11 0.01 0.00 -0.42 0.00 0.00 29.97 30.69 2k5e h ARG 59 CO -0.04 -0.31 -0.71 0.22 -1.51 0.00 0.00 179.97 177.62 2k5e h ASP 60 N -0.49 0.95 -0.01 -3.80 3.58 -1.40 -2.15 116.42 113.09 2k5e h ASP 60 Ca 0.07 -0.60 0.02 0.00 0.42 0.00 0.00 57.03 56.94 2k5e h ASP 60 Cb 0.61 -0.28 -0.03 0.00 1.72 0.00 0.00 39.33 41.36 2k5e h ASP 60 CO -0.37 1.39 -0.11 -0.07 -2.88 0.00 0.00 179.24 177.20 2k5e h LEU 61 N 0.56 -0.33 -1.01 2.28 3.38 -1.16 -1.14 115.31 117.89 2k5e h LEU 61 Ca -0.03 0.05 -0.10 0.00 0.09 0.00 0.00 57.88 57.89 2k5e h LEU 61 Cb 1.33 0.15 -0.01 0.00 0.09 0.00 0.00 40.66 42.21 2k5e h LEU 61 CO 0.15 -0.16 -0.37 0.78 0.09 0.00 0.00 178.44 178.92 2k5e h ASN 62 N -0.19 0.25 0.06 -0.43 2.35 -1.14 -2.45 115.58 114.03 2k5e h ASN 62 Ca 0.05 -0.09 -0.00 0.00 -0.55 0.00 0.00 56.30 55.70 2k5e h ASN 62 Cb 0.25 -0.07 -0.00 0.00 0.05 0.00 0.00 38.32 38.55 2k5e h ASN 62 CO -0.12 0.60 -0.02 0.00 -1.65 0.00 0.00 177.43 176.24 2k5e h ALA 63 N 1.41 1.44 -0.25 -0.83 0.00 -0.67 -0.92 119.26 119.44 2k5e h ALA 63 Ca 0.02 -0.02 -0.13 0.00 0.00 0.00 0.00 54.91 54.78 2k5e h ALA 63 Cb 0.75 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 2k5e h ALA 63 CO 0.06 0.02 -0.39 -0.07 0.00 0.00 0.00 179.25 178.87 2k5e h LEU 64 N 0.00 0.62 -0.15 0.00 3.38 -0.72 0.27 115.31 118.70 2k5e h LEU 64 Ca -0.00 -0.27 -0.21 0.00 0.09 0.00 0.00 57.88 57.49 2k5e h LEU 64 Cb 0.05 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 2k5e h LEU 64 CO 0.00 0.94 -0.97 0.00 0.09 0.00 0.00 178.44 178.51 2k5e h ALA 65 N 1.09 0.42 0.02 1.53 0.00 -1.25 -3.36 119.26 117.70 2k5e h ALA 65 Ca 0.04 -0.80 -0.24 0.00 0.00 0.00 0.00 54.91 53.91 2k5e h ALA 65 Cb 0.89 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.57 2k5e h ALA 65 CO 0.08 1.01 -1.32 -0.07 0.00 0.00 0.00 179.25 178.95 2k5e h LEU 66 N 0.07 0.06 -2.24 0.00 3.38 -1.39 -3.51 115.31 111.68 2k5e h LEU 66 Ca -0.05 -0.58 0.00 0.00 0.09 0.00 0.00 57.88 57.34 2k5e h LEU 66 Cb 1.65 -0.02 -0.06 0.00 0.09 0.00 0.00 40.66 42.32 2k5e h LEU 66 CO 0.14 1.53 -1.07 -0.62 0.09 0.00 0.00 178.44 178.51 2k5e n GLU 67 N -4.31 -3.36 -4.32 1.13 1.02 0.94 -5.04 120.64 106.70 2k5e n GLU 67 Ca -0.31 2.68 -0.34 0.00 -0.02 0.00 0.00 57.16 59.17 2k5e n GLU 67 Cb 0.73 -4.52 -0.14 0.00 -0.02 0.00 0.00 31.44 27.49 2k5e n GLU 67 CO 0.00 0.00 0.00 -3.38 1.18 0.00 0.00 177.13 174.93 2k5e s HIS 68 N -0.96 2.92 -0.14 -0.32 -3.43 -1.26 -5.10 115.29 106.98 2k5e s HIS 68 Ca -0.12 -0.71 -0.19 0.00 -0.80 0.00 0.00 55.06 53.24 2k5e s HIS 68 Cb 0.01 -1.98 -0.04 0.00 -1.43 0.00 0.00 32.58 29.14 2k5e s HIS 68 CO 0.66 -0.33 0.51 -1.01 -2.00 0.00 0.00 174.74 172.57 2k5e s HIS 69 N 0.85 3.47 0.11 0.38 3.76 -1.26 -4.98 115.29 117.61 2k5e s HIS 69 Ca -0.02 0.88 0.07 0.00 -0.15 0.00 0.00 55.06 55.84 2k5e s HIS 69 Cb -0.15 -2.62 -0.21 0.00 1.11 0.00 0.00 32.58 30.72 2k5e s HIS 69 CO 0.01 0.07 1.24 1.25 -0.85 0.00 0.00 174.74 176.45 2k5e h HIS 70 N 6.98 0.00 -3.22 1.40 2.76 -2.04 -3.45 115.15 117.59 2k5e h HIS 70 Ca -0.38 0.00 -0.54 0.00 -2.20 0.00 0.00 60.37 57.25 2k5e h HIS 70 Cb 1.17 0.00 -0.00 0.00 1.55 0.00 0.00 27.41 30.13 2k5e h HIS 70 CO 0.65 1.00 0.54 -1.01 -1.30 0.00 0.00 177.93 177.81 2k5e s HIS 71 N -2.70 3.46 -0.62 5.26 3.76 -1.26 -4.95 115.29 118.24 2k5e s HIS 71 Ca 0.01 1.35 -0.26 0.00 -0.15 0.00 0.00 55.06 56.00 2k5e s HIS 71 Cb 0.10 -3.38 -0.04 0.00 1.11 0.00 0.00 32.58 30.37 2k5e s HIS 71 CO 0.82 -1.12 2.03 -1.01 -0.85 0.00 0.00 174.74 174.61 2k5e s HIS 72 N 1.08 1.51 -0.48 1.40 0.09 -1.26 -5.25 115.29 112.38 2k5e s HIS 72 Ca 0.58 1.01 0.04 0.00 -0.00 0.00 0.00 55.06 56.69 2k5e s HIS 72 Cb -0.28 -3.93 0.03 0.00 -0.00 0.00 0.00 32.58 28.39 2k5e s HIS 72 CO 0.29 -2.27 0.62 0.72 -0.00 0.00 0.00 174.74 174.10