#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 3.29 -0.05 2.03 2.01 -1.26 -4.93 115.64 116.74 2k5e s THR 2 Ca 0.00 0.34 -0.30 0.00 0.31 0.00 0.00 61.69 62.04 2k5e s THR 2 Cb 0.00 -3.28 -0.06 0.00 0.01 0.00 0.00 72.50 69.17 2k5e s THR 2 CO 0.00 -0.10 1.68 -1.10 -0.69 0.00 0.00 174.62 174.42 2k5e s GLN 3 N 4.90 4.18 0.07 4.92 -0.21 -1.26 -4.92 119.66 127.33 2k5e s GLN 3 Ca 0.84 2.23 -0.26 0.00 0.02 0.00 0.00 55.36 58.19 2k5e s GLN 3 Cb -0.34 -4.00 -0.17 0.00 1.00 0.00 0.00 33.01 29.50 2k5e s GLN 3 CO 0.35 -0.86 1.62 0.87 -2.12 0.00 0.00 175.29 175.15 2k5e h LYS 4 N 9.64 -0.22 -6.06 2.91 1.57 -2.01 -3.35 116.57 119.05 2k5e h LYS 4 Ca -0.40 0.01 -0.53 0.00 -1.87 0.00 0.00 60.65 57.87 2k5e h LYS 4 Cb 1.18 0.05 -0.08 0.00 0.08 0.00 0.00 32.23 33.46 2k5e h LYS 4 CO 0.95 -0.07 1.28 -0.06 -0.57 0.00 0.00 179.45 180.98 2k5e s PHE 5 N -5.80 2.32 0.19 -1.35 0.08 -1.26 -4.91 117.98 107.24 2k5e s PHE 5 Ca -0.14 -0.37 0.10 0.00 0.12 0.00 0.00 56.93 56.63 2k5e s PHE 5 Cb 0.05 -4.53 -0.04 0.00 -0.57 0.00 0.00 43.02 37.92 2k5e s PHE 5 CO 0.64 -1.93 -0.19 -0.08 -0.10 0.00 0.00 175.22 173.55 2k5e s THR 6 N 6.28 2.03 0.58 0.64 -1.32 -1.26 -4.75 115.64 117.84 2k5e s THR 6 Ca 0.50 -2.04 0.28 0.00 -1.21 0.00 0.00 61.69 59.23 2k5e s THR 6 Cb -0.03 -1.99 0.37 0.00 -1.51 0.00 0.00 72.50 69.35 2k5e s THR 6 CO -0.04 -0.31 1.99 0.07 -2.21 0.00 0.00 174.62 174.13 2k5e h LYS 7 N 3.05 0.00 0.00 7.08 2.10 -1.93 -1.37 116.57 125.49 2k5e h LYS 7 Ca -0.43 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.22 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 0.52 0.00 -0.02 0.22 -2.00 0.00 0.00 179.45 178.18 2k5e h ASP 8 N 0.00 0.00 -3.44 7.07 3.58 -1.95 -2.74 116.42 118.93 2k5e h ASP 8 Ca 0.16 -0.01 -0.49 0.00 0.42 0.00 0.00 57.03 57.11 2k5e h ASP 8 Cb 0.87 0.00 0.02 0.00 1.72 0.00 0.00 39.33 41.94 2k5e h ASP 8 CO -0.00 0.00 0.04 0.00 -2.88 0.00 0.00 179.24 176.40 2k5e s MET 9 N -3.11 3.59 0.49 0.28 0.23 -0.52 -4.83 119.30 115.43 2k5e s MET 9 Ca 0.10 0.15 -0.08 0.00 -1.03 0.00 0.00 55.69 54.83 2k5e s MET 9 Cb 0.12 -2.45 -0.05 0.00 -1.53 0.00 0.00 34.83 30.92 2k5e s MET 9 CO 0.60 -0.08 0.83 0.95 -2.03 0.00 0.00 175.02 175.30 2k5e s THR 10 N -2.54 4.83 0.22 3.16 -4.23 -1.26 -0.72 115.64 115.10 2k5e s THR 10 Ca 0.47 0.48 -0.08 0.00 -1.18 0.00 0.00 61.69 61.37 2k5e s THR 10 Cb -0.10 -3.83 0.16 0.00 1.34 0.00 0.00 72.50 70.07 2k5e s THR 10 CO 0.39 -0.81 1.78 -0.26 -0.54 0.00 0.00 174.62 175.18 2k5e h PHE 11 N 0.43 0.60 -0.33 3.99 0.04 -1.62 -2.64 116.94 117.40 2k5e h PHE 11 Ca -0.46 0.03 0.06 0.00 2.80 0.00 0.00 57.97 60.39 2k5e h PHE 11 Cb 1.20 -0.17 -0.05 0.00 2.20 0.00 0.00 35.95 39.13 2k5e h PHE 11 CO 0.61 0.23 0.01 0.00 -0.60 0.00 0.00 178.31 178.56 2k5e h ALA 12 N 1.40 0.31 -0.32 2.45 0.00 -1.82 -0.42 119.26 120.86 2k5e h ALA 12 Ca 0.32 0.09 0.04 0.00 0.00 0.00 0.00 54.91 55.36 2k5e h ALA 12 Cb 0.31 0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.20 2k5e h ALA 12 CO -0.24 -0.39 0.07 1.96 0.00 0.00 0.00 179.25 180.64 2k5e h GLN 13 N 0.11 0.18 -0.62 0.00 4.20 -1.77 -0.92 115.11 116.29 2k5e h GLN 13 Ca 0.16 -0.01 0.03 0.00 0.06 0.00 0.00 58.65 58.89 2k5e h GLN 13 Cb 0.21 -0.04 -0.04 0.00 0.30 0.00 0.00 27.48 27.91 2k5e h GLN 13 CO -0.26 0.12 0.37 0.00 -0.67 0.00 0.00 178.83 178.39 2k5e h ALA 14 N 1.23 0.81 0.00 3.87 0.00 -1.11 0.97 119.26 125.02 2k5e h ALA 14 Ca 0.15 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 2k5e h ALA 14 Cb 0.15 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 2k5e h ALA 14 CO -0.19 0.09 -0.12 -0.07 0.00 0.00 0.00 179.25 178.96 2k5e h LEU 15 N 0.72 0.00 0.03 0.00 3.38 -0.52 -1.91 115.31 117.01 2k5e h LEU 15 Ca 0.26 0.00 -0.25 0.00 0.09 0.00 0.00 57.88 57.98 2k5e h LEU 15 Cb 0.06 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.78 2k5e h LEU 15 CO -0.12 0.12 -1.25 1.56 0.09 0.00 0.00 178.44 178.84 2k5e h GLN 16 N 0.00 0.07 0.53 1.13 1.08 -0.30 -3.39 115.11 114.23 2k5e h GLN 16 Ca -0.00 -0.11 -0.03 0.00 -1.45 0.00 0.00 58.65 57.06 2k5e h GLN 16 Cb 0.25 0.04 0.01 0.00 -0.05 0.00 0.00 27.48 27.72 2k5e h GLN 16 CO 0.02 0.94 -0.25 1.15 -0.95 0.00 0.00 178.83 179.73 2k5e h THR 17 N 0.02 0.24 -3.56 -0.54 2.02 -0.17 -3.45 112.91 107.47 2k5e h THR 17 Ca -0.11 -0.46 -0.32 0.00 0.77 0.00 0.00 66.41 66.29 2k5e h THR 17 Cb 1.88 0.35 -0.33 0.00 -1.74 0.00 0.00 68.15 68.31 2k5e h THR 17 CO 0.13 0.04 -0.74 -1.00 0.37 0.00 0.00 175.52 174.32 2k5e s HIS 18 N -4.44 0.24 0.42 3.16 3.76 -0.78 -5.05 115.29 112.60 2k5e s HIS 18 Ca -0.13 0.02 0.09 0.00 -0.15 0.00 0.00 55.06 54.88 2k5e s HIS 18 Cb 0.02 -0.33 0.90 0.00 1.11 0.00 0.00 32.58 34.28 2k5e s HIS 18 CO 0.44 -0.10 2.04 -1.35 -0.85 0.00 0.00 174.74 174.91 2k5e h PRO 19 N 7.06 0.40 -0.11 8.40 0.11 -1.84 -2.44 132.00 143.58 2k5e h PRO 19 Ca -0.41 -0.04 0.03 0.00 0.11 0.00 0.00 66.00 65.70 2k5e h PRO 19 Cb 1.14 -0.08 -0.00 0.00 0.11 0.00 0.00 31.00 32.16 2k5e h PRO 19 CO 0.48 0.32 0.15 0.78 -0.21 0.00 0.00 178.00 179.52 2k5e h GLY 20 N 0.51 0.00 0.75 -0.55 0.00 -1.93 -1.91 103.07 99.94 2k5e h GLY 20 Ca 0.11 0.00 0.10 0.00 0.00 0.00 0.00 47.33 47.53 2k5e h GLY 20 CO -0.02 0.00 0.56 -2.08 0.00 0.00 0.00 176.54 175.00 2k5e h VAL 21 N 0.00 0.96 -0.82 4.60 2.07 -1.74 -1.40 116.25 119.92 2k5e h VAL 21 Ca 0.05 -0.29 0.08 0.00 0.82 0.00 0.00 66.70 67.36 2k5e h VAL 21 Cb 0.35 0.05 -0.07 0.00 -1.52 0.00 0.00 31.29 30.10 2k5e h VAL 21 CO -0.00 0.15 0.49 0.00 0.02 0.00 0.00 177.57 178.23 2k5e h ALA 22 N 1.57 1.15 -0.35 1.67 0.00 -1.55 0.41 119.26 122.15 2k5e h ALA 22 Ca 0.40 0.01 -0.06 0.00 0.00 0.00 0.00 54.91 55.26 2k5e h ALA 22 Cb 0.42 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 2k5e h ALA 22 CO -0.17 0.17 -0.01 0.78 0.00 0.00 0.00 179.25 180.03 2k5e h GLY 23 N 0.86 0.69 0.97 0.00 0.00 -1.42 -2.05 103.07 102.11 2k5e h GLY 23 Ca 0.38 -0.52 0.00 0.00 0.00 0.00 0.00 47.33 47.20 2k5e h GLY 23 CO -0.21 0.47 0.05 -2.08 0.00 0.00 0.00 176.54 174.78 2k5e h VAL 24 N 0.44 1.01 -0.05 4.60 2.07 -0.94 0.26 116.25 123.64 2k5e h VAL 24 Ca 0.10 -0.04 0.03 0.00 0.82 0.00 0.00 66.70 67.61 2k5e h VAL 24 Cb 0.48 0.89 -0.04 0.00 -1.52 0.00 0.00 31.29 31.10 2k5e h VAL 24 CO 0.02 0.02 -0.17 -0.07 0.02 0.00 0.00 177.57 177.39 2k5e h LEU 25 N 0.11 -0.50 -1.05 2.57 3.38 -0.92 -0.62 115.31 118.27 2k5e h LEU 25 Ca 0.04 0.08 0.08 0.00 0.09 0.00 0.00 57.88 58.16 2k5e h LEU 25 Cb -0.00 0.22 -0.07 0.00 0.09 0.00 0.00 40.66 40.90 2k5e h LEU 25 CO -0.02 -0.22 0.63 0.03 0.09 0.00 0.00 178.44 178.95 2k5e h ARG 26 N -0.25 1.06 -0.60 1.13 3.08 -1.24 0.43 114.38 117.99 2k5e h ARG 26 Ca 0.07 -0.06 -0.02 0.00 0.07 0.00 0.00 59.98 60.04 2k5e h ARG 26 Cb 0.35 -0.24 -0.03 0.00 0.08 0.00 0.00 29.97 30.13 2k5e h ARG 26 CO -0.20 0.70 0.30 1.03 -1.07 0.00 0.00 179.97 180.74 2k5e h SER 27 N 1.10 0.75 -0.17 7.04 0.87 -0.01 -1.70 113.55 121.43 2k5e h SER 27 Ca 0.44 -0.07 0.00 0.00 -1.23 0.00 0.00 61.79 60.93 2k5e h SER 27 Cb 0.25 -0.19 0.00 0.00 -0.44 0.00 0.00 62.40 62.02 2k5e h SER 27 CO -0.18 0.63 0.00 -1.22 -0.53 0.00 0.00 176.83 175.52 2k5e n TYR 28 N -4.37 0.21 -2.61 2.24 4.02 -0.33 -4.93 117.16 111.40 2k5e n TYR 28 Ca 0.05 -0.11 -0.08 0.00 -0.01 0.00 0.00 57.90 57.75 2k5e n TYR 28 Cb 0.12 0.00 0.04 0.00 -0.02 0.00 0.00 39.34 39.48 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 0.19 -2.86 -0.11 7.72 2.85 -0.64 -4.98 115.26 117.44 2k5e n ASN 29 Ca 0.15 -0.33 0.04 0.00 -0.11 0.00 0.00 54.58 54.32 2k5e n ASN 29 Cb 0.28 -2.89 0.05 0.00 1.24 0.00 0.00 39.78 38.46 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 -2.53 1.49 0.29 1.20 4.77 0.14 -4.78 117.00 117.58 2k5e n LEU 30 Ca -0.11 -1.93 0.18 0.00 -0.03 0.00 0.00 56.01 54.13 2k5e n LEU 30 Cb 0.58 -0.16 0.82 0.00 -2.33 0.00 0.00 43.42 42.33 2k5e n LEU 30 CO 0.31 0.46 1.04 1.23 -1.33 0.00 0.00 177.39 179.10 2k5e h GLY 31 N 0.00 0.00 -0.03 -0.72 0.00 -1.82 -2.59 103.07 97.91 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 0.33 0.75 -0.34 0.00 3.07 -1.85 -0.00 117.51 119.47 2k5e h ILE 33 Ca 0.00 -0.05 -0.17 0.00 1.55 0.00 0.00 64.86 66.19 2k5e h ILE 33 Cb 0.07 0.58 -0.00 0.00 -0.27 0.00 0.00 36.82 37.20 2k5e h ILE 33 CO 0.00 0.03 -0.46 1.23 -1.05 0.00 0.00 178.15 177.90 2k5e h GLY 34 N 0.16 0.98 1.12 0.16 0.00 -1.87 0.27 103.07 103.89 2k5e h GLY 34 Ca 0.30 -1.06 -0.15 0.00 0.00 0.00 0.00 47.33 46.42 2k5e h GLY 34 CO -0.04 0.95 -0.29 0.00 0.00 0.00 0.00 176.54 177.16 2k5e n MET 36 N -4.09 1.47 -2.34 0.00 0.00 -0.47 -4.92 117.12 106.77 2k5e n MET 36 Ca -0.01 -0.71 -0.18 0.00 0.00 0.00 0.00 57.70 56.80 2k5e n MET 36 Cb 0.50 -1.37 -0.01 0.00 0.00 0.00 0.00 33.22 32.34 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 1.02 -0.38 0.09 3.17 0.00 -0.80 -4.88 105.19 103.41 2k5e n GLY 37 Ca 0.16 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 46.07 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 -1.87 2.50 0.18 4.61 0.00 0.88 -3.78 120.51 123.03 2k5e n ALA 38 Ca -0.22 -0.02 0.03 0.00 0.00 0.00 0.00 53.44 53.23 2k5e n ALA 38 Cb 0.67 -1.00 0.41 0.00 0.00 0.00 0.00 19.45 19.52 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 0.08 0.05 -0.64 0.00 1.08 -1.90 -1.80 115.11 111.98 2k5e h GLN 39 Ca 0.00 -0.02 -0.04 0.00 -1.45 0.00 0.00 58.65 57.15 2k5e h GLN 39 Cb 0.08 -0.01 -0.02 0.00 -0.05 0.00 0.00 27.48 27.48 2k5e h GLN 39 CO 0.00 0.32 0.05 0.09 -0.95 0.00 0.00 178.83 178.34 2k5e n ASN 40 N -4.20 5.27 -4.32 1.46 3.02 -1.25 -3.33 115.26 111.91 2k5e n ASN 40 Ca -0.02 -2.91 -0.25 0.00 -0.03 0.00 0.00 54.58 51.37 2k5e n ASN 40 Cb 0.33 -0.69 -0.12 0.00 -0.61 0.00 0.00 39.78 38.69 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 -2.67 1.23 0.57 3.52 2.12 -0.67 -5.03 118.70 117.76 2k5e s GLU 41 Ca 0.51 -1.26 -0.15 0.00 0.36 0.00 0.00 54.97 54.42 2k5e s GLU 41 Cb 0.39 -1.51 -0.05 0.00 0.26 0.00 0.00 34.13 33.22 2k5e s GLU 41 CO 0.14 0.35 1.03 -1.54 -0.54 0.00 0.00 175.26 174.70 2k5e s SER 42 N -2.10 6.08 0.26 -1.70 1.04 -1.26 -2.22 113.70 113.79 2k5e s SER 42 Ca 0.10 1.70 -0.01 0.00 0.48 0.00 0.00 55.95 58.22 2k5e s SER 42 Cb -0.09 -2.52 0.52 0.00 0.10 0.00 0.00 66.02 64.03 2k5e s SER 42 CO 0.05 -0.97 1.77 -0.07 0.98 0.00 0.00 173.24 175.01 2k5e h LEU 43 N 0.49 0.58 -0.14 2.42 3.38 -0.72 -2.05 115.31 119.27 2k5e h LEU 43 Ca -0.46 0.08 -0.01 0.00 0.09 0.00 0.00 57.88 57.57 2k5e h LEU 43 Cb 1.21 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.93 2k5e h LEU 43 CO 0.59 0.26 0.03 -0.08 0.09 0.00 0.00 178.44 179.33 2k5e h GLU 44 N 0.67 0.22 -0.37 1.13 4.81 -1.78 -1.20 114.58 118.07 2k5e h GLU 44 Ca 0.46 -0.05 0.01 0.00 -0.13 0.00 0.00 59.36 59.64 2k5e h GLU 44 Cb 0.61 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.94 2k5e h GLU 44 CO -0.34 0.38 0.23 1.96 -0.73 0.00 0.00 179.01 180.52 2k5e h GLN 45 N 0.02 0.46 -0.39 1.92 4.20 -1.72 0.99 115.11 120.59 2k5e h GLN 45 Ca 0.04 -0.03 -0.01 0.00 0.06 0.00 0.00 58.65 58.71 2k5e h GLN 45 Cb 0.26 -0.10 -0.02 0.00 0.30 0.00 0.00 27.48 27.92 2k5e h GLN 45 CO 0.00 0.31 0.19 0.78 -0.67 0.00 0.00 178.83 179.43 2k5e h GLY 46 N 0.47 0.61 0.86 3.46 0.00 -1.38 -1.47 103.07 105.62 2k5e h GLY 46 Ca 0.14 -0.30 0.00 0.00 0.00 0.00 0.00 47.33 47.17 2k5e h GLY 46 CO -0.04 0.29 -0.12 0.00 0.00 0.00 0.00 176.54 176.66 2k5e h ALA 47 N 1.04 -0.24 -0.60 3.60 0.00 -0.94 -1.97 119.26 120.14 2k5e h ALA 47 Ca 0.13 -0.04 0.11 0.00 0.00 0.00 0.00 54.91 55.12 2k5e h ALA 47 Cb 0.12 0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.05 2k5e h ALA 47 CO -0.02 -0.65 0.41 -0.91 0.00 0.00 0.00 179.25 178.08 2k5e h ASN 48 N -0.27 0.30 -0.11 0.00 2.35 -0.74 0.10 115.58 117.21 2k5e h ASN 48 Ca 0.00 0.01 -0.12 0.00 -0.55 0.00 0.00 56.30 55.64 2k5e h ASN 48 Cb 0.26 -0.05 -0.01 0.00 0.05 0.00 0.00 38.32 38.56 2k5e h ASN 48 CO -0.03 0.17 -0.34 0.00 -1.65 0.00 0.00 177.43 175.59 2k5e h ALA 49 N 1.70 0.89 -0.23 -0.83 0.00 -0.78 -2.83 119.26 117.18 2k5e h ALA 49 Ca 0.28 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.78 2k5e h ALA 49 Cb 0.67 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.34 2k5e h ALA 49 CO -0.07 0.63 0.00 0.72 0.00 0.00 0.00 179.25 180.53 2k5e n HIS 50 N -4.06 0.30 -2.79 0.00 8.25 -0.15 -4.94 115.22 111.83 2k5e n HIS 50 Ca -0.01 -0.15 -0.16 0.00 -0.26 0.00 0.00 57.72 57.14 2k5e n HIS 50 Cb 0.48 0.00 0.03 0.00 1.12 0.00 0.00 29.99 31.62 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 1.16 -0.16 3.91 -1.41 0.00 0.16 -5.02 105.19 103.84 2k5e n GLY 51 Ca 0.16 -0.15 -0.21 0.00 0.00 0.00 0.00 46.02 45.82 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 -4.81 4.05 -0.59 0.99 1.43 -0.05 -4.99 118.68 114.71 2k5e s LEU 52 Ca 0.21 -0.12 -0.25 0.00 -1.03 0.00 0.00 54.13 52.94 2k5e s LEU 52 Cb -0.09 -2.61 0.04 0.00 0.03 0.00 0.00 46.19 43.56 2k5e s LEU 52 CO 0.26 -0.11 1.04 0.21 0.23 0.00 0.00 176.35 177.98 2k5e s ASN 53 N -3.95 6.33 0.40 2.29 3.84 -1.26 -4.32 114.94 118.27 2k5e s ASN 53 Ca 0.35 -0.32 0.09 0.00 0.21 0.00 0.00 52.86 53.19 2k5e s ASN 53 Cb -0.08 -2.48 0.88 0.00 -0.55 0.00 0.00 41.25 39.01 2k5e s ASN 53 CO 0.27 -1.38 2.01 1.62 -2.79 0.00 0.00 177.10 176.84 2k5e h VAL 54 N 6.05 1.03 -0.34 -5.21 3.04 -1.92 -2.32 116.25 116.58 2k5e h VAL 54 Ca -0.26 -0.19 -0.00 0.00 -1.01 0.00 0.00 66.70 65.23 2k5e h VAL 54 Cb 1.07 0.41 -0.02 0.00 -2.01 0.00 0.00 31.29 30.74 2k5e h VAL 54 CO 1.14 0.10 0.21 -0.33 -1.01 0.00 0.00 177.57 177.69 2k5e h GLU 55 N 0.57 0.45 -0.14 4.17 4.39 -2.00 -1.34 114.58 120.68 2k5e h GLU 55 Ca 0.23 -0.04 -0.11 0.00 0.34 0.00 0.00 59.36 59.78 2k5e h GLU 55 Cb 0.18 -0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 28.72 2k5e h GLU 55 CO -0.06 0.33 -0.38 0.22 -1.16 0.00 0.00 179.01 177.96 2k5e h ASP 56 N 0.44 0.32 0.25 1.42 3.58 -1.87 -2.29 116.42 118.28 2k5e h ASP 56 Ca 0.12 -0.13 -0.01 0.00 0.42 0.00 0.00 57.03 57.43 2k5e h ASP 56 Cb -0.01 -0.09 0.00 0.00 1.72 0.00 0.00 39.33 40.95 2k5e h ASP 56 CO -0.02 0.67 -0.12 0.40 -2.88 0.00 0.00 179.24 177.29 2k5e h ILE 57 N 0.26 0.80 -0.85 2.25 2.04 -1.11 -2.85 117.51 118.05 2k5e h ILE 57 Ca 0.03 -0.41 0.12 0.00 1.00 0.00 0.00 64.86 65.60 2k5e h ILE 57 Cb 0.79 1.03 -0.06 0.00 -0.74 0.00 0.00 36.82 37.84 2k5e h ILE 57 CO 0.06 0.09 0.55 -0.07 0.00 0.00 0.00 178.15 178.78 2k5e h LEU 58 N -0.55 0.66 -0.08 1.44 3.38 -1.18 -0.33 115.31 118.65 2k5e h LEU 58 Ca -0.03 0.03 0.04 0.00 0.09 0.00 0.00 57.88 58.00 2k5e h LEU 58 Cb 0.41 -0.11 -0.06 0.00 0.09 0.00 0.00 40.66 40.99 2k5e h LEU 58 CO 0.06 0.37 -0.36 -0.09 0.09 0.00 0.00 178.44 178.50 2k5e h ARG 59 N 0.72 -0.45 -0.07 1.13 2.43 -1.29 -1.32 114.38 115.52 2k5e h ARG 59 Ca 0.41 0.03 -0.15 0.00 -0.81 0.00 0.00 59.98 59.46 2k5e h ARG 59 Cb 0.58 0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 30.22 2k5e h ARG 59 CO -0.17 -0.30 -0.61 0.22 -1.51 0.00 0.00 179.97 177.59 2k5e h ASP 60 N -0.47 0.28 -0.05 -3.80 3.58 -1.05 -1.37 116.42 113.54 2k5e h ASP 60 Ca 0.07 -0.16 -0.00 0.00 0.42 0.00 0.00 57.03 57.36 2k5e h ASP 60 Cb 0.59 -0.08 -0.00 0.00 1.72 0.00 0.00 39.33 41.56 2k5e h ASP 60 CO -0.34 0.82 0.03 -0.07 -2.88 0.00 0.00 179.24 176.80 2k5e h LEU 61 N 0.18 0.06 -0.94 2.28 3.38 -0.91 -2.45 115.31 116.90 2k5e h LEU 61 Ca -0.01 -0.07 -0.08 0.00 0.09 0.00 0.00 57.88 57.81 2k5e h LEU 61 Cb 1.12 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.85 2k5e h LEU 61 CO 0.10 0.11 -0.40 0.78 0.09 0.00 0.00 178.44 179.12 2k5e h ASN 62 N 0.00 0.00 0.11 -0.43 2.35 -1.22 -2.51 115.58 113.88 2k5e h ASN 62 Ca 0.02 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.76 2k5e h ASN 62 Cb 0.07 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.44 2k5e h ASN 62 CO -0.00 0.40 -0.03 0.00 -1.65 0.00 0.00 177.43 176.15 2k5e h ALA 63 N 1.60 1.35 0.00 -0.83 0.00 -0.92 -0.88 119.26 119.58 2k5e h ALA 63 Ca -0.00 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 2k5e h ALA 63 Cb 0.90 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 2k5e h ALA 63 CO 0.05 0.03 -0.20 -0.07 0.00 0.00 0.00 179.25 179.07 2k5e h LEU 64 N 0.00 0.00 0.13 0.00 3.38 -0.98 0.25 115.31 118.09 2k5e h LEU 64 Ca -0.00 0.00 -0.31 0.00 0.09 0.00 0.00 57.88 57.66 2k5e h LEU 64 Cb 0.09 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.84 2k5e h LEU 64 CO 0.00 0.20 -1.55 0.00 0.09 0.00 0.00 178.44 177.18 2k5e h ALA 65 N 1.80 0.24 0.13 1.53 0.00 -1.31 -3.38 119.26 118.28 2k5e h ALA 65 Ca -0.00 -1.10 -0.01 0.00 0.00 0.00 0.00 54.91 53.80 2k5e h ALA 65 Cb 0.38 0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.46 2k5e h ALA 65 CO 0.03 1.10 -0.06 -0.07 0.00 0.00 0.00 179.25 180.25 2k5e h LEU 66 N 0.08 -0.15 1.57 0.00 3.38 -1.29 -3.47 115.31 115.43 2k5e h LEU 66 Ca -0.26 -0.38 -0.41 0.00 0.09 0.00 0.00 57.88 56.93 2k5e h LEU 66 Cb 2.03 0.04 -0.12 0.00 0.09 0.00 0.00 40.66 42.70 2k5e h LEU 66 CO 0.17 0.34 -0.41 -0.62 0.09 0.00 0.00 178.44 178.01 2k5e n GLU 67 N -4.94 -1.53 -1.48 1.13 1.02 0.06 -4.82 120.64 110.08 2k5e n GLU 67 Ca -0.08 1.12 -0.12 0.00 -0.02 0.00 0.00 57.16 58.06 2k5e n GLU 67 Cb 0.26 -5.58 -0.10 0.00 -0.02 0.00 0.00 31.44 26.01 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 -2.80 0.75 0.00 -0.32 1.44 -1.26 -1.32 115.22 111.70 2k5e n HIS 68 Ca -0.21 -0.13 0.00 0.00 -2.01 0.00 0.00 57.72 55.37 2k5e n HIS 68 Cb 0.66 -2.24 0.00 0.00 0.12 0.00 0.00 29.99 28.53 2k5e n HIS 68 CO 0.00 0.00 0.00 1.58 -2.81 0.00 0.00 176.34 175.11 2k5e n HIS 69 N 17.33 0.00 -2.56 -1.40 -0.00 -1.26 -5.11 115.22 122.22 2k5e n HIS 69 Ca 0.34 0.00 -0.43 0.00 -0.00 0.00 0.00 57.72 57.63 2k5e n HIS 69 Cb 0.47 0.00 -0.02 0.00 -0.00 0.00 0.00 29.99 30.44 2k5e n HIS 69 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 2k5e s HIS 70 N 0.00 2.87 -0.13 1.57 4.02 -0.44 -5.00 115.29 118.19 2k5e s HIS 70 Ca 0.00 0.92 -0.04 0.00 1.02 0.00 0.00 55.06 56.96 2k5e s HIS 70 Cb 0.00 -4.05 0.06 0.00 -1.02 0.00 0.00 32.58 27.57 2k5e s HIS 70 CO 0.00 -1.24 0.19 -1.58 1.02 0.00 0.00 174.74 173.12 2k5e s HIS 71 N 4.24 -0.22 -0.00 1.40 2.46 -1.26 -5.10 115.29 116.81 2k5e s HIS 71 Ca 0.50 0.52 -0.18 0.00 0.47 0.00 0.00 55.06 56.37 2k5e s HIS 71 Cb -0.11 -0.28 -0.06 0.00 -0.13 0.00 0.00 32.58 32.00 2k5e s HIS 71 CO 0.24 -0.38 0.51 -1.58 -2.47 0.00 0.00 174.74 171.06 2k5e s HIS 72 N 2.31 3.70 -1.35 3.88 5.04 -1.26 -5.30 115.29 122.31 2k5e s HIS 72 Ca 0.04 1.10 0.11 0.00 -1.54 0.00 0.00 55.06 54.77 2k5e s HIS 72 Cb -0.13 -2.47 0.09 0.00 0.04 0.00 0.00 32.58 30.10 2k5e s HIS 72 CO -0.08 0.47 0.84 -2.39 -2.34 0.00 0.00 174.74 171.24