#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 2.71 0.52 2.03 -1.32 -1.26 -5.12 115.64 113.21 2k5e s THR 2 Ca 0.00 -1.45 -0.03 0.00 -1.21 0.00 0.00 61.69 59.00 2k5e s THR 2 Cb 0.00 -2.56 0.00 0.00 -1.51 0.00 0.00 72.50 68.43 2k5e s THR 2 CO 0.00 -0.07 0.79 -1.10 -2.21 0.00 0.00 174.62 172.03 2k5e s GLN 3 N 1.21 2.97 -0.12 7.08 -0.21 -1.26 -5.04 119.66 124.28 2k5e s GLN 3 Ca -0.06 -0.26 -0.23 0.00 0.02 0.00 0.00 55.36 54.83 2k5e s GLN 3 Cb -0.20 -2.41 -0.26 0.00 1.00 0.00 0.00 33.01 31.14 2k5e s GLN 3 CO -0.02 -0.51 0.65 0.87 -2.12 0.00 0.00 175.29 174.16 2k5e h LYS 4 N 0.10 0.14 -5.07 2.91 1.79 -1.98 -3.45 116.57 111.00 2k5e h LYS 4 Ca -0.46 -0.23 -0.63 0.00 -2.18 0.00 0.00 60.65 57.16 2k5e h LYS 4 Cb 1.26 0.09 -0.15 0.00 -1.58 0.00 0.00 32.23 31.84 2k5e h LYS 4 CO 0.59 1.11 -0.43 -0.06 -1.08 0.00 0.00 179.45 179.57 2k5e s PHE 5 N -2.36 3.28 0.42 -1.35 0.08 -1.26 -5.09 117.98 111.70 2k5e s PHE 5 Ca -0.20 0.26 0.07 0.00 0.12 0.00 0.00 56.93 57.19 2k5e s PHE 5 Cb 0.01 -2.38 -0.04 0.00 -0.57 0.00 0.00 43.02 40.04 2k5e s PHE 5 CO 0.73 -0.06 0.23 -0.08 -0.10 0.00 0.00 175.22 175.94 2k5e s THR 6 N 1.48 2.32 -0.89 0.64 -1.32 -1.26 -4.91 115.64 111.70 2k5e s THR 6 Ca 0.10 -1.61 0.27 0.00 -1.21 0.00 0.00 61.69 59.24 2k5e s THR 6 Cb -0.15 -2.94 0.17 0.00 -1.51 0.00 0.00 72.50 68.08 2k5e s THR 6 CO 0.08 0.00 1.70 2.29 -2.21 0.00 0.00 174.62 176.48 2k5e n LYS 7 N -1.34 0.10 0.02 7.08 2.85 -1.26 -3.68 118.16 121.92 2k5e n LYS 7 Ca -0.00 0.06 0.00 0.00 -1.05 0.00 0.00 58.31 57.31 2k5e n LYS 7 Cb 0.64 -1.59 -0.09 0.00 -0.65 0.00 0.00 35.03 33.34 2k5e n LYS 7 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 177.40 173.88 2k5e n ASP 8 N -1.74 0.74 -4.77 -5.58 2.03 -1.26 -2.08 116.55 103.88 2k5e n ASP 8 Ca 0.06 0.32 -0.35 0.00 0.52 0.00 0.00 54.79 55.34 2k5e n ASP 8 Cb 0.37 0.34 0.00 0.00 -0.72 0.00 0.00 41.12 41.12 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 -2.93 3.34 0.64 -0.67 0.23 -1.24 -4.67 119.30 114.00 2k5e s MET 9 Ca -0.04 1.59 -0.12 0.00 -1.03 0.00 0.00 55.69 56.09 2k5e s MET 9 Cb 0.09 -2.01 -0.03 0.00 -1.53 0.00 0.00 34.83 31.36 2k5e s MET 9 CO 0.82 -0.85 1.04 0.95 -2.03 0.00 0.00 175.02 174.95 2k5e s THR 10 N -1.81 4.40 0.27 3.16 -4.23 -1.26 -0.88 115.64 115.28 2k5e s THR 10 Ca 0.72 0.83 -0.01 0.00 -1.18 0.00 0.00 61.69 62.05 2k5e s THR 10 Cb -0.23 -3.66 0.27 0.00 1.34 0.00 0.00 72.50 70.22 2k5e s THR 10 CO 0.27 -0.97 1.85 -0.26 -0.54 0.00 0.00 174.62 174.98 2k5e h PHE 11 N -0.31 1.15 -0.42 3.99 0.04 -1.12 -2.29 116.94 117.98 2k5e h PHE 11 Ca -0.44 0.03 0.07 0.00 2.80 0.00 0.00 57.97 60.43 2k5e h PHE 11 Cb 1.20 -0.37 -0.06 0.00 2.20 0.00 0.00 35.95 38.92 2k5e h PHE 11 CO 0.64 0.52 0.08 0.00 -0.60 0.00 0.00 178.31 178.95 2k5e h ALA 12 N 1.49 0.45 0.26 2.45 0.00 -1.67 -1.10 119.26 121.14 2k5e h ALA 12 Ca 0.46 0.09 -0.00 0.00 0.00 0.00 0.00 54.91 55.45 2k5e h ALA 12 Cb 0.33 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 2k5e h ALA 12 CO -0.22 -0.32 -0.22 1.96 0.00 0.00 0.00 179.25 180.44 2k5e h GLN 13 N 0.20 -0.48 -0.31 0.00 4.20 -1.70 -2.46 115.11 114.56 2k5e h GLN 13 Ca 0.20 0.03 0.06 0.00 0.06 0.00 0.00 58.65 59.00 2k5e h GLN 13 Cb 0.25 0.11 -0.05 0.00 0.30 0.00 0.00 27.48 28.09 2k5e h GLN 13 CO -0.27 -0.32 -0.01 0.00 -0.67 0.00 0.00 178.83 177.56 2k5e h ALA 14 N 0.18 0.27 -0.14 3.87 0.00 -1.17 0.10 119.26 122.37 2k5e h ALA 14 Ca -0.01 0.09 0.01 0.00 0.00 0.00 0.00 54.91 55.00 2k5e h ALA 14 Cb 0.45 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 2k5e h ALA 14 CO -0.03 -0.41 0.09 -0.07 0.00 0.00 0.00 179.25 178.83 2k5e h LEU 15 N 0.08 0.11 0.00 0.00 3.38 -1.14 -1.61 115.31 116.13 2k5e h LEU 15 Ca 0.15 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.11 2k5e h LEU 15 Cb 0.21 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 40.93 2k5e h LEU 15 CO -0.26 0.08 -0.80 1.56 0.09 0.00 0.00 178.44 179.11 2k5e h GLN 16 N 0.13 0.00 0.37 1.13 1.08 -0.81 -3.38 115.11 113.63 2k5e h GLN 16 Ca 0.06 0.00 -0.02 0.00 -1.45 0.00 0.00 58.65 57.24 2k5e h GLN 16 Cb 0.07 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.50 2k5e h GLN 16 CO -0.01 0.02 -0.18 1.15 -0.95 0.00 0.00 178.83 178.86 2k5e h THR 17 N 0.00 0.12 -3.28 -0.54 2.02 0.15 -3.45 112.91 107.93 2k5e h THR 17 Ca -0.01 -0.67 -0.50 0.00 0.77 0.00 0.00 66.41 66.00 2k5e h THR 17 Cb 1.03 0.19 -0.36 0.00 -1.74 0.00 0.00 68.15 67.27 2k5e h THR 17 CO 0.00 0.03 -0.80 -1.00 0.37 0.00 0.00 175.52 174.12 2k5e s HIS 18 N -3.34 1.34 0.52 3.16 3.76 -1.02 -5.03 115.29 114.68 2k5e s HIS 18 Ca -0.09 -0.59 0.26 0.00 -0.15 0.00 0.00 55.06 54.49 2k5e s HIS 18 Cb 0.01 -1.10 1.37 0.00 1.11 0.00 0.00 32.58 33.97 2k5e s HIS 18 CO 0.27 -0.40 1.96 -1.35 -0.85 0.00 0.00 174.74 174.37 2k5e h PRO 19 N 7.75 0.06 0.00 8.40 0.11 -1.86 -1.24 132.00 145.22 2k5e h PRO 19 Ca -0.30 -0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.79 2k5e h PRO 19 Cb 1.15 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 32.24 2k5e h PRO 19 CO 0.42 0.04 -0.07 0.78 -0.21 0.00 0.00 178.00 178.96 2k5e h GLY 20 N 0.06 0.00 0.45 -0.55 0.00 -1.94 -2.87 103.07 98.22 2k5e h GLY 20 Ca 0.31 0.00 0.17 0.00 0.00 0.00 0.00 47.33 47.81 2k5e h GLY 20 CO -0.02 0.00 0.57 -2.08 0.00 0.00 0.00 176.54 175.01 2k5e h VAL 21 N 0.00 0.77 -0.39 4.60 2.07 -1.52 -0.75 116.25 121.02 2k5e h VAL 21 Ca -0.00 -0.19 0.03 0.00 0.82 0.00 0.00 66.70 67.36 2k5e h VAL 21 Cb 0.22 0.16 -0.03 0.00 -1.52 0.00 0.00 31.29 30.12 2k5e h VAL 21 CO 0.01 0.10 0.19 0.00 0.02 0.00 0.00 177.57 177.89 2k5e h ALA 22 N 1.61 0.48 -0.43 1.67 0.00 -1.72 -0.07 119.26 120.81 2k5e h ALA 22 Ca 0.45 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.36 2k5e h ALA 22 Cb 0.90 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.62 2k5e h ALA 22 CO -0.19 -0.17 0.21 0.78 0.00 0.00 0.00 179.25 179.87 2k5e h GLY 23 N 0.39 0.66 0.75 0.00 0.00 -1.34 -1.78 103.07 101.74 2k5e h GLY 23 Ca 0.17 -0.32 0.01 0.00 0.00 0.00 0.00 47.33 47.18 2k5e h GLY 23 CO -0.12 0.31 -0.17 -2.08 0.00 0.00 0.00 176.54 174.48 2k5e h VAL 24 N 0.55 0.61 -0.59 4.60 2.07 -1.07 -1.14 116.25 121.28 2k5e h VAL 24 Ca 0.15 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.72 2k5e h VAL 24 Cb 0.11 0.61 -0.05 0.00 -1.52 0.00 0.00 31.29 30.44 2k5e h VAL 24 CO -0.02 0.00 0.30 -0.07 0.02 0.00 0.00 177.57 177.80 2k5e h LEU 25 N -0.35 0.43 -1.59 2.57 3.38 -0.95 -0.90 115.31 117.90 2k5e h LEU 25 Ca 0.01 0.03 -0.03 0.00 0.09 0.00 0.00 57.88 57.98 2k5e h LEU 25 Cb 0.35 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 2k5e h LEU 25 CO -0.07 0.29 -0.11 0.03 0.09 0.00 0.00 178.44 178.67 2k5e h ARG 26 N 0.57 0.13 -0.30 1.13 3.08 -1.13 0.31 114.38 118.17 2k5e h ARG 26 Ca 0.27 -0.02 -0.12 0.00 0.07 0.00 0.00 59.98 60.18 2k5e h ARG 26 Cb 0.18 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.21 2k5e h ARG 26 CO -0.18 0.24 -0.27 1.03 -1.07 0.00 0.00 179.97 179.72 2k5e h SER 27 N 0.12 0.75 -0.01 7.04 0.87 0.09 -3.04 113.55 119.38 2k5e h SER 27 Ca 0.03 -0.46 0.00 0.00 -1.23 0.00 0.00 61.79 60.12 2k5e h SER 27 Cb 0.27 -0.21 0.00 0.00 -0.44 0.00 0.00 62.40 62.02 2k5e h SER 27 CO 0.02 1.06 0.00 -1.22 -0.53 0.00 0.00 176.83 176.16 2k5e n TYR 28 N -4.27 0.01 -2.36 2.24 4.02 -0.56 -4.93 117.16 111.31 2k5e n TYR 28 Ca -0.04 -0.00 -0.06 0.00 -0.01 0.00 0.00 57.90 57.79 2k5e n TYR 28 Cb 0.46 0.00 0.03 0.00 -0.02 0.00 0.00 39.34 39.81 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 -0.64 -4.44 0.00 7.72 5.15 -0.55 -4.99 115.26 117.51 2k5e n ASN 29 Ca 0.21 -0.30 0.00 0.00 -0.60 0.00 0.00 54.58 53.89 2k5e n ASN 29 Cb 0.17 -2.92 0.00 0.00 -0.53 0.00 0.00 39.78 36.50 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 -2.20 0.64 0.24 1.20 4.77 0.97 -4.84 117.00 117.77 2k5e n LEU 30 Ca -0.03 -0.64 0.16 0.00 -0.03 0.00 0.00 56.01 55.48 2k5e n LEU 30 Cb 0.55 0.00 0.80 0.00 -2.33 0.00 0.00 43.42 42.44 2k5e n LEU 30 CO 0.29 0.16 0.99 1.23 -1.33 0.00 0.00 177.39 178.73 2k5e h GLY 31 N 0.00 0.00 1.99 -0.72 0.00 -1.85 -2.20 103.07 100.29 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 0.66 -0.30 0.00 3.07 -1.79 -0.54 117.51 118.61 2k5e h ILE 33 Ca 0.00 -0.14 0.00 0.00 1.55 0.00 0.00 64.86 66.28 2k5e h ILE 33 Cb 0.15 0.23 -0.01 0.00 -0.27 0.00 0.00 36.82 36.92 2k5e h ILE 33 CO 0.00 0.07 0.19 1.23 -1.05 0.00 0.00 178.15 178.60 2k5e h GLY 34 N 0.39 0.43 1.00 0.16 0.00 -1.85 0.32 103.07 103.52 2k5e h GLY 34 Ca 0.38 -0.17 -0.02 0.00 0.00 0.00 0.00 47.33 47.53 2k5e h GLY 34 CO -0.40 0.16 0.32 0.00 0.00 0.00 0.00 176.54 176.62 2k5e n MET 36 N -4.51 1.49 -2.13 0.00 0.00 -0.30 -4.92 117.12 106.74 2k5e n MET 36 Ca 0.04 -0.72 -0.12 0.00 0.00 0.00 0.00 57.70 56.90 2k5e n MET 36 Cb 0.11 -1.45 -0.01 0.00 0.00 0.00 0.00 33.22 31.87 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 1.10 0.03 0.71 3.17 0.00 -0.22 -4.91 105.19 105.06 2k5e n GLY 37 Ca 0.19 -0.39 0.03 0.00 0.00 0.00 0.00 46.02 45.85 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 -1.27 2.72 -0.12 4.61 0.00 0.97 -4.16 120.51 123.26 2k5e n ALA 38 Ca -0.14 -0.51 0.04 0.00 0.00 0.00 0.00 53.44 52.83 2k5e n ALA 38 Cb 0.59 -1.01 0.36 0.00 0.00 0.00 0.00 19.45 19.38 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 1.29 0.71 0.00 0.00 1.08 -1.91 -1.24 115.11 115.04 2k5e h GLN 39 Ca 0.00 -0.04 0.00 0.00 -1.45 0.00 0.00 58.65 57.16 2k5e h GLN 39 Cb 0.67 -0.16 0.00 0.00 -0.05 0.00 0.00 27.48 27.94 2k5e h GLN 39 CO 0.08 0.47 0.00 0.09 -0.95 0.00 0.00 178.83 178.53 2k5e n ASN 40 N -4.46 0.00 -4.87 1.46 3.02 -1.26 -1.97 115.26 107.18 2k5e n ASN 40 Ca 0.07 -0.16 -0.33 0.00 -0.03 0.00 0.00 54.58 54.13 2k5e n ASN 40 Cb 0.12 -0.28 -0.05 0.00 -0.61 0.00 0.00 39.78 38.96 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 -2.56 3.80 0.55 3.52 2.12 -0.47 -4.88 118.70 120.79 2k5e s GLU 41 Ca 0.29 0.26 -0.16 0.00 0.36 0.00 0.00 54.97 55.72 2k5e s GLU 41 Cb 0.20 -2.74 -0.06 0.00 0.26 0.00 0.00 34.13 31.79 2k5e s GLU 41 CO 0.46 0.38 1.01 -1.54 -0.54 0.00 0.00 175.26 175.03 2k5e s SER 42 N -2.23 6.29 0.24 -1.70 1.04 -1.26 -1.24 113.70 114.84 2k5e s SER 42 Ca 0.44 1.64 -0.05 0.00 0.48 0.00 0.00 55.95 58.45 2k5e s SER 42 Cb -0.12 -2.51 0.40 0.00 0.10 0.00 0.00 66.02 63.89 2k5e s SER 42 CO 0.21 -0.81 1.75 -0.07 0.98 0.00 0.00 173.24 175.30 2k5e h LEU 43 N 0.62 0.38 -0.02 2.42 3.38 -1.08 0.70 115.31 121.70 2k5e h LEU 43 Ca -0.46 0.08 -0.01 0.00 0.09 0.00 0.00 57.88 57.58 2k5e h LEU 43 Cb 1.20 0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.98 2k5e h LEU 43 CO 0.60 0.19 -0.02 -0.08 0.09 0.00 0.00 178.44 179.22 2k5e h GLU 44 N 0.53 0.05 -0.84 1.13 4.81 -1.70 0.52 114.58 119.08 2k5e h GLU 44 Ca 0.38 -0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.57 2k5e h GLU 44 Cb 0.50 -0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.84 2k5e h GLU 44 CO -0.34 0.49 0.45 1.96 -0.73 0.00 0.00 179.01 180.84 2k5e h GLN 45 N -0.39 1.17 -0.35 1.92 4.20 -1.73 -1.40 115.11 118.53 2k5e h GLN 45 Ca 0.00 -0.14 -0.09 0.00 0.06 0.00 0.00 58.65 58.48 2k5e h GLN 45 Cb 0.48 -0.23 -0.01 0.00 0.30 0.00 0.00 27.48 28.02 2k5e h GLN 45 CO 0.00 0.87 -0.14 0.78 -0.67 0.00 0.00 178.83 179.68 2k5e h GLY 46 N 1.19 0.78 0.48 3.46 0.00 -0.87 -1.13 103.07 106.98 2k5e h GLY 46 Ca 0.29 -0.68 -0.00 0.00 0.00 0.00 0.00 47.33 46.95 2k5e h GLY 46 CO -0.05 0.62 -0.44 0.00 0.00 0.00 0.00 176.54 176.67 2k5e h ALA 47 N 0.80 -0.92 -0.42 3.60 0.00 -0.46 -2.02 119.26 119.83 2k5e h ALA 47 Ca 0.08 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 2k5e h ALA 47 Cb 0.66 0.66 -0.02 0.00 0.00 0.00 0.00 17.79 19.10 2k5e h ALA 47 CO 0.04 -1.07 0.20 -0.91 0.00 0.00 0.00 179.25 177.52 2k5e h ASN 48 N -0.83 0.52 -0.10 0.00 2.35 -1.16 0.33 115.58 116.68 2k5e h ASN 48 Ca -0.03 -0.04 0.03 0.00 -0.55 0.00 0.00 56.30 55.71 2k5e h ASN 48 Cb 0.76 -0.13 -0.00 0.00 0.05 0.00 0.00 38.32 39.00 2k5e h ASN 48 CO -0.12 0.44 0.10 0.00 -1.65 0.00 0.00 177.43 176.21 2k5e h ALA 49 N 1.64 1.82 -0.01 -0.83 0.00 -0.75 -1.44 119.26 119.69 2k5e h ALA 49 Ca 0.15 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.06 2k5e h ALA 49 Cb 0.06 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.86 2k5e h ALA 49 CO -0.02 -0.15 -0.54 0.72 0.00 0.00 0.00 179.25 179.26 2k5e n HIS 50 N -4.05 0.00 -0.97 0.00 8.25 -0.38 -5.01 115.22 113.06 2k5e n HIS 50 Ca -0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 2k5e n HIS 50 Cb 0.21 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.32 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 1.27 1.08 3.32 -1.41 0.00 0.51 -5.09 105.19 104.86 2k5e n GLY 51 Ca 0.05 -0.30 -0.25 0.00 0.00 0.00 0.00 46.02 45.52 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 -0.30 2.34 -0.28 0.99 1.43 0.85 -4.94 118.68 118.77 2k5e s LEU 52 Ca 0.00 -0.74 -0.21 0.00 -1.03 0.00 0.00 54.13 52.15 2k5e s LEU 52 Cb 0.00 -0.96 -0.01 0.00 0.03 0.00 0.00 46.19 45.25 2k5e s LEU 52 CO 0.00 0.07 0.68 0.21 0.23 0.00 0.00 176.35 177.53 2k5e s ASN 53 N -2.12 6.59 0.42 2.29 2.47 -1.26 -2.98 114.94 120.35 2k5e s ASN 53 Ca 0.11 0.65 0.09 0.00 0.42 0.00 0.00 52.86 54.12 2k5e s ASN 53 Cb -0.09 -2.36 0.90 0.00 -1.45 0.00 0.00 41.25 38.25 2k5e s ASN 53 CO 0.05 -0.46 2.02 1.62 -3.72 0.00 0.00 177.10 176.62 2k5e h VAL 54 N 5.48 1.11 -0.43 -5.21 3.04 -1.88 -2.80 116.25 115.55 2k5e h VAL 54 Ca -0.26 -0.35 0.07 0.00 -1.01 0.00 0.00 66.70 65.14 2k5e h VAL 54 Cb 1.11 0.81 -0.06 0.00 -2.01 0.00 0.00 31.29 31.15 2k5e h VAL 54 CO 0.81 0.13 0.10 -0.33 -1.01 0.00 0.00 177.57 177.27 2k5e h GLU 55 N 0.37 0.24 -0.71 4.17 4.39 -1.99 0.80 114.58 121.85 2k5e h GLU 55 Ca 0.09 -0.01 -0.03 0.00 0.34 0.00 0.00 59.36 59.74 2k5e h GLU 55 Cb 0.09 -0.05 -0.03 0.00 -0.10 0.00 0.00 28.75 28.66 2k5e h GLU 55 CO -0.01 0.16 0.31 0.22 -1.16 0.00 0.00 179.01 178.53 2k5e h ASP 56 N 0.24 0.95 -0.16 1.42 3.58 -1.93 -2.73 116.42 117.80 2k5e h ASP 56 Ca 0.21 -0.15 -0.03 0.00 0.42 0.00 0.00 57.03 57.48 2k5e h ASP 56 Cb 0.25 -0.25 -0.01 0.00 1.72 0.00 0.00 39.33 41.05 2k5e h ASP 56 CO -0.26 0.84 -0.01 0.40 -2.88 0.00 0.00 179.24 177.33 2k5e h ILE 57 N 1.00 1.26 -0.68 2.25 2.04 -1.36 -3.03 117.51 118.99 2k5e h ILE 57 Ca 0.24 -0.89 0.12 0.00 1.00 0.00 0.00 64.86 65.33 2k5e h ILE 57 Cb 0.17 1.54 -0.04 0.00 -0.74 0.00 0.00 36.82 37.74 2k5e h ILE 57 CO -0.02 0.26 0.45 -0.07 0.00 0.00 0.00 178.15 178.77 2k5e h LEU 58 N 0.02 0.40 -0.16 1.44 3.38 -0.76 -1.08 115.31 118.54 2k5e h LEU 58 Ca 0.04 0.01 0.03 0.00 0.09 0.00 0.00 57.88 58.06 2k5e h LEU 58 Cb 0.40 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 41.06 2k5e h LEU 58 CO 0.01 0.23 -0.04 -0.09 0.09 0.00 0.00 178.44 178.64 2k5e h ARG 59 N 0.44 0.00 -0.08 1.13 2.43 -1.36 -0.01 114.38 116.94 2k5e h ARG 59 Ca 0.32 -0.00 -0.17 0.00 -0.81 0.00 0.00 59.98 59.32 2k5e h ARG 59 Cb 0.66 -0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.20 2k5e h ARG 59 CO -0.10 0.00 -0.68 0.22 -1.51 0.00 0.00 179.97 177.90 2k5e h ASP 60 N 0.00 0.39 0.18 -3.80 3.58 -1.40 -2.88 116.42 112.50 2k5e h ASP 60 Ca 0.08 -0.25 -0.01 0.00 0.42 0.00 0.00 57.03 57.27 2k5e h ASP 60 Cb 0.12 -0.11 0.00 0.00 1.72 0.00 0.00 39.33 41.06 2k5e h ASP 60 CO -0.17 0.96 -0.09 -0.07 -2.88 0.00 0.00 179.24 176.99 2k5e h LEU 61 N 0.23 -0.21 -1.55 2.28 3.38 -0.94 -3.02 115.31 115.48 2k5e h LEU 61 Ca -0.02 -0.11 -0.04 0.00 0.09 0.00 0.00 57.88 57.79 2k5e h LEU 61 Cb 1.23 0.05 -0.01 0.00 0.09 0.00 0.00 40.66 42.03 2k5e h LEU 61 CO 0.11 -0.01 -0.20 0.78 0.09 0.00 0.00 178.44 179.21 2k5e h ASN 62 N -0.39 0.00 -0.13 -0.43 2.35 -1.07 -1.94 115.58 113.96 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 0.31 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.67 2k5e h ASN 62 CO 0.04 0.20 0.09 0.00 -1.65 0.00 0.00 177.43 176.12 2k5e h ALA 63 N 1.80 2.10 0.00 -0.83 0.00 -1.37 0.74 119.26 121.69 2k5e h ALA 63 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2k5e h ALA 63 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.31 2k5e h ALA 63 CO 0.03 -0.13 0.00 -0.07 0.00 0.00 0.00 179.25 179.08 2k5e h LEU 64 N 0.02 0.00 0.00 0.00 3.38 -1.34 -2.31 115.31 115.07 2k5e h LEU 64 Ca 0.06 0.00 -0.37 0.00 0.09 0.00 0.00 57.88 57.66 2k5e h LEU 64 Cb 0.21 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 40.90 2k5e h LEU 64 CO -0.00 0.00 -2.38 0.00 0.09 0.00 0.00 178.44 176.15 2k5e n ALA 65 N -1.89 1.49 0.10 1.53 0.00 0.14 -4.57 120.51 117.30 2k5e n ALA 65 Ca 0.01 -1.29 -0.13 0.00 0.00 0.00 0.00 53.44 52.03 2k5e n ALA 65 Cb 0.21 -0.19 -0.08 0.00 0.00 0.00 0.00 19.45 19.38 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 0.00 -0.21 1.74 0.00 3.38 -1.01 -3.47 115.31 115.74 2k5e h LEU 66 Ca -0.54 -0.23 -0.32 0.00 0.09 0.00 0.00 57.88 56.88 2k5e h LEU 66 Cb 2.20 0.06 -0.08 0.00 0.09 0.00 0.00 40.66 42.92 2k5e h LEU 66 CO 0.02 0.13 -0.34 -0.62 0.09 0.00 0.00 178.44 177.72 2k5e n GLU 67 N -5.06 -1.63 -0.94 1.13 1.02 -0.89 -4.84 120.64 109.44 2k5e n GLU 67 Ca -0.09 0.85 -0.11 0.00 -0.02 0.00 0.00 57.16 57.80 2k5e n GLU 67 Cb 0.23 -5.29 -0.15 0.00 -0.02 0.00 0.00 31.44 26.21 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 -2.72 0.00 -1.68 -0.32 8.25 -1.26 -4.87 115.22 112.62 2k5e n HIS 68 Ca -0.17 -1.43 0.00 0.00 -0.26 0.00 0.00 57.72 55.86 2k5e n HIS 68 Cb 0.57 -1.48 0.00 0.00 1.12 0.00 0.00 29.99 30.20 2k5e n HIS 68 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2k5e n HIS 69 N 2.41 -4.27 -1.99 4.41 8.25 -1.26 -4.93 115.22 117.85 2k5e n HIS 69 Ca 0.38 2.28 -0.38 0.00 -0.26 0.00 0.00 57.72 59.75 2k5e n HIS 69 Cb 0.87 -3.44 0.02 0.00 1.12 0.00 0.00 29.99 28.55 2k5e n HIS 69 CO 0.00 0.00 0.00 -3.38 0.64 0.00 0.00 176.34 173.60 2k5e s HIS 70 N -1.63 2.56 0.43 4.41 -3.43 -1.26 -5.05 115.29 111.32 2k5e s HIS 70 Ca 0.00 1.43 0.07 0.00 -0.80 0.00 0.00 55.06 55.76 2k5e s HIS 70 Cb 0.00 -3.64 -0.04 0.00 -1.43 0.00 0.00 32.58 27.47 2k5e s HIS 70 CO 0.00 -2.31 0.22 -1.01 -2.00 0.00 0.00 174.74 169.64 2k5e s HIS 71 N -1.38 2.48 0.19 0.38 3.76 -1.26 -5.16 115.29 114.30 2k5e s HIS 71 Ca 0.67 -0.62 -0.16 0.00 -0.15 0.00 0.00 55.06 54.80 2k5e s HIS 71 Cb -0.36 -1.97 0.02 0.00 1.11 0.00 0.00 32.58 31.38 2k5e s HIS 71 CO 0.43 0.07 0.48 -3.38 -0.85 0.00 0.00 174.74 171.49 2k5e s HIS 72 N -2.62 -0.01 -2.00 1.40 -3.43 -1.26 -5.32 115.29 102.05 2k5e s HIS 72 Ca 0.40 -0.34 0.16 0.00 -0.80 0.00 0.00 55.06 54.48 2k5e s HIS 72 Cb 0.02 0.30 0.97 0.00 -1.43 0.00 0.00 32.58 32.44 2k5e s HIS 72 CO 0.22 -0.88 1.38 -2.39 -2.00 0.00 0.00 174.74 171.07