#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 0.29 -0.29 1.12 -1.32 -1.26 -5.14 115.64 109.04 2k5e s THR 2 Ca 0.00 -0.51 -0.15 0.00 -1.21 0.00 0.00 61.69 59.82 2k5e s THR 2 Cb 0.00 -0.32 -0.03 0.00 -1.51 0.00 0.00 72.50 70.64 2k5e s THR 2 CO 0.00 -0.15 0.37 -1.10 -2.21 0.00 0.00 174.62 171.53 2k5e s GLN 3 N -0.71 3.88 0.35 7.08 -0.21 -1.26 -4.95 119.66 123.85 2k5e s GLN 3 Ca -0.05 -0.10 0.16 0.00 0.02 0.00 0.00 55.36 55.40 2k5e s GLN 3 Cb -0.05 -3.70 0.60 0.00 1.00 0.00 0.00 33.01 30.86 2k5e s GLN 3 CO -0.00 -0.35 1.71 0.87 -2.12 0.00 0.00 175.29 175.39 2k5e h LYS 4 N 8.27 0.00 -4.21 2.91 1.57 -1.99 -3.35 116.57 119.78 2k5e h LYS 4 Ca -0.31 0.00 -0.72 0.00 -1.87 0.00 0.00 60.65 57.75 2k5e h LYS 4 Cb 1.16 0.00 -0.31 0.00 0.08 0.00 0.00 32.23 33.16 2k5e h LYS 4 CO 0.66 0.44 -0.38 -0.06 -0.57 0.00 0.00 179.45 179.53 2k5e s PHE 5 N -3.65 3.47 0.50 -1.35 0.08 -1.26 -5.09 117.98 110.68 2k5e s PHE 5 Ca -0.01 -2.08 0.07 0.00 0.12 0.00 0.00 56.93 55.04 2k5e s PHE 5 Cb 0.12 -3.44 0.02 0.00 -0.57 0.00 0.00 43.02 39.15 2k5e s PHE 5 CO 0.71 -0.97 0.48 -0.08 -0.10 0.00 0.00 175.22 175.26 2k5e s THR 6 N 1.07 2.20 -0.36 0.64 -1.32 -1.26 -4.79 115.64 111.83 2k5e s THR 6 Ca 0.08 -1.31 0.23 0.00 -1.21 0.00 0.00 61.69 59.48 2k5e s THR 6 Cb -0.24 -2.52 0.19 0.00 -1.51 0.00 0.00 72.50 68.43 2k5e s THR 6 CO -0.02 0.00 1.37 0.07 -2.21 0.00 0.00 174.62 173.83 2k5e h LYS 7 N 0.74 0.00 -0.02 7.08 2.10 -1.96 -3.31 116.57 121.20 2k5e h LYS 7 Ca -0.37 0.00 -0.18 0.00 -2.00 0.00 0.00 60.65 58.09 2k5e h LYS 7 Cb 1.28 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.60 2k5e h LYS 7 CO 0.53 0.00 -0.81 0.22 -2.00 0.00 0.00 179.45 177.39 2k5e h ASP 8 N 0.00 0.26 -3.99 7.07 3.58 -1.96 -2.90 116.42 118.48 2k5e h ASP 8 Ca 0.00 -0.20 -0.50 0.00 0.42 0.00 0.00 57.03 56.75 2k5e h ASP 8 Cb 0.99 -0.08 0.05 0.00 1.72 0.00 0.00 39.33 42.02 2k5e h ASP 8 CO 0.00 0.96 0.48 0.00 -2.88 0.00 0.00 179.24 177.80 2k5e s MET 9 N -3.35 3.85 0.65 0.28 0.23 -1.25 -4.63 119.30 115.09 2k5e s MET 9 Ca -0.03 1.74 -0.11 0.00 -1.03 0.00 0.00 55.69 56.26 2k5e s MET 9 Cb 0.11 -2.45 -0.02 0.00 -1.53 0.00 0.00 34.83 30.93 2k5e s MET 9 CO 0.82 -0.47 1.05 0.95 -2.03 0.00 0.00 175.02 175.34 2k5e s THR 10 N -1.55 4.36 0.27 3.16 -4.23 -1.26 -1.40 115.64 114.98 2k5e s THR 10 Ca 0.62 0.77 0.00 0.00 -1.18 0.00 0.00 61.69 61.90 2k5e s THR 10 Cb -0.28 -3.68 0.26 0.00 1.34 0.00 0.00 72.50 70.14 2k5e s THR 10 CO 0.34 -1.00 1.79 -0.26 -0.54 0.00 0.00 174.62 174.95 2k5e h PHE 11 N -0.49 0.93 -0.24 3.99 -1.00 -1.37 -1.69 116.94 117.08 2k5e h PHE 11 Ca -0.44 0.03 0.02 0.00 2.81 0.00 0.00 57.97 60.40 2k5e h PHE 11 Cb 1.20 -0.28 -0.03 0.00 3.61 0.00 0.00 35.95 40.46 2k5e h PHE 11 CO 0.63 0.29 0.08 0.00 -1.61 0.00 0.00 178.31 177.70 2k5e h ALA 12 N 1.55 0.27 -0.32 2.45 0.00 -1.65 -1.03 119.26 120.53 2k5e h ALA 12 Ca 0.48 0.03 0.05 0.00 0.00 0.00 0.00 54.91 55.46 2k5e h ALA 12 Cb 0.60 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.36 2k5e h ALA 12 CO -0.32 -0.34 0.05 1.96 0.00 0.00 0.00 179.25 180.60 2k5e h GLN 13 N 0.19 0.15 -0.03 0.00 4.20 -1.59 -1.69 115.11 116.35 2k5e h GLN 13 Ca 0.10 -0.01 0.01 0.00 0.06 0.00 0.00 58.65 58.81 2k5e h GLN 13 Cb 0.07 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 27.81 2k5e h GLN 13 CO -0.11 0.10 -0.01 0.00 -0.67 0.00 0.00 178.83 178.14 2k5e h ALA 14 N 1.24 0.01 -0.44 3.87 0.00 -1.10 -1.52 119.26 121.32 2k5e h ALA 14 Ca 0.15 0.01 0.03 0.00 0.00 0.00 0.00 54.91 55.10 2k5e h ALA 14 Cb 0.17 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 2k5e h ALA 14 CO -0.21 -0.50 0.29 -0.07 0.00 0.00 0.00 179.25 178.76 2k5e h LEU 15 N -0.01 0.42 0.00 0.00 3.38 -0.97 -0.82 115.31 117.31 2k5e h LEU 15 Ca 0.01 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.98 2k5e h LEU 15 Cb 0.03 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.68 2k5e h LEU 15 CO -0.03 0.29 -0.01 1.56 0.09 0.00 0.00 178.44 180.34 2k5e h GLN 16 N 0.48 0.00 0.25 1.13 1.08 -0.95 -3.34 115.11 113.76 2k5e h GLN 16 Ca 0.18 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.36 2k5e h GLN 16 Cb 0.10 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.53 2k5e h GLN 16 CO -0.04 0.00 -0.12 1.15 -0.95 0.00 0.00 178.83 178.87 2k5e h THR 17 N 0.00 0.13 -3.31 -0.54 2.02 -0.11 -3.46 112.91 107.64 2k5e h THR 17 Ca 0.00 -0.81 -0.33 0.00 0.77 0.00 0.00 66.41 66.04 2k5e h THR 17 Cb 0.89 0.23 -0.36 0.00 -1.74 0.00 0.00 68.15 67.16 2k5e h THR 17 CO 0.00 0.04 -0.70 -1.00 0.37 0.00 0.00 175.52 174.22 2k5e s HIS 18 N -2.79 -0.02 0.62 3.16 3.76 -1.05 -5.04 115.29 113.93 2k5e s HIS 18 Ca -0.06 0.32 0.32 0.00 -0.15 0.00 0.00 55.06 55.49 2k5e s HIS 18 Cb 0.00 -0.34 1.82 0.00 1.11 0.00 0.00 32.58 35.17 2k5e s HIS 18 CO 0.21 -0.18 2.14 -1.00 -0.85 0.00 0.00 174.74 175.05 2k5e h PRO 19 N 8.04 0.00 -0.10 8.40 0.13 -1.86 -1.34 132.00 145.26 2k5e h PRO 19 Ca -0.23 0.00 0.03 0.00 -0.87 0.00 0.00 66.00 64.93 2k5e h PRO 19 Cb 1.12 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.25 2k5e h PRO 19 CO 0.25 0.00 0.07 0.78 -0.23 0.00 0.00 178.00 178.88 2k5e h GLY 20 N 0.00 0.00 0.60 1.56 0.00 -1.95 -2.28 103.07 101.01 2k5e h GLY 20 Ca 0.05 -0.00 0.14 0.00 0.00 0.00 0.00 47.33 47.52 2k5e h GLY 20 CO -0.00 0.00 0.54 -2.08 0.00 0.00 0.00 176.54 175.00 2k5e h VAL 21 N 0.00 0.82 -0.35 4.60 2.07 -1.56 -2.09 116.25 119.74 2k5e h VAL 21 Ca 0.05 -0.20 0.05 0.00 0.82 0.00 0.00 66.70 67.42 2k5e h VAL 21 Cb 0.19 0.19 -0.04 0.00 -1.52 0.00 0.00 31.29 30.11 2k5e h VAL 21 CO -0.00 0.11 0.09 0.00 0.02 0.00 0.00 177.57 177.78 2k5e h ALA 22 N 1.62 0.38 -0.66 1.67 0.00 -1.61 -0.13 119.26 120.53 2k5e h ALA 22 Ca 0.41 0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.38 2k5e h ALA 22 Cb 0.76 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.58 2k5e h ALA 22 CO -0.17 -0.31 0.41 0.78 0.00 0.00 0.00 179.25 179.96 2k5e h GLY 23 N 0.22 0.95 0.85 0.00 0.00 -1.54 -1.08 103.07 102.48 2k5e h GLY 23 Ca 0.16 -0.39 -0.00 0.00 0.00 0.00 0.00 47.33 47.10 2k5e h GLY 23 CO -0.19 0.38 0.03 -2.08 0.00 0.00 0.00 176.54 174.67 2k5e h VAL 24 N 0.89 1.15 -0.31 4.60 2.07 -1.30 -0.35 116.25 123.00 2k5e h VAL 24 Ca 0.24 -0.44 0.02 0.00 0.82 0.00 0.00 66.70 67.34 2k5e h VAL 24 Cb -0.04 1.29 -0.03 0.00 -1.52 0.00 0.00 31.29 30.99 2k5e h VAL 24 CO -0.05 0.13 0.15 -0.07 0.02 0.00 0.00 177.57 177.74 2k5e h LEU 25 N -0.04 0.21 -1.70 2.57 3.38 -0.90 -1.03 115.31 117.80 2k5e h LEU 25 Ca 0.03 0.02 -0.03 0.00 0.09 0.00 0.00 57.88 57.98 2k5e h LEU 25 Cb 0.17 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 2k5e h LEU 25 CO -0.00 0.16 -0.12 0.03 0.09 0.00 0.00 178.44 178.60 2k5e h ARG 26 N 0.31 0.04 -0.49 1.13 3.08 -1.14 0.23 114.38 117.54 2k5e h ARG 26 Ca 0.13 -0.01 -0.11 0.00 0.07 0.00 0.00 59.98 60.06 2k5e h ARG 26 Cb 0.06 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.08 2k5e h ARG 26 CO -0.10 0.16 -0.13 1.03 -1.07 0.00 0.00 179.97 179.87 2k5e h SER 27 N 0.04 0.93 -0.05 7.04 0.87 -0.01 -2.74 113.55 119.63 2k5e h SER 27 Ca 0.01 -0.31 0.00 0.00 -1.23 0.00 0.00 61.79 60.26 2k5e h SER 27 Cb 0.24 -0.25 0.00 0.00 -0.44 0.00 0.00 62.40 61.95 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 -4.14 0.06 -2.28 2.24 4.02 -0.49 -4.93 117.16 111.63 2k5e n TYR 28 Ca 0.01 -0.03 -0.05 0.00 -0.01 0.00 0.00 57.90 57.83 2k5e n TYR 28 Cb 0.40 0.00 0.02 0.00 -0.02 0.00 0.00 39.34 39.74 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 -0.38 -4.34 -0.12 7.72 2.85 -0.78 -5.00 115.26 115.21 2k5e n ASN 29 Ca 0.17 -0.23 0.01 0.00 -0.11 0.00 0.00 54.58 54.42 2k5e n ASN 29 Cb 0.19 -2.80 0.02 0.00 1.24 0.00 0.00 39.78 38.42 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 -1.99 0.68 0.29 1.20 4.77 0.75 -4.85 117.00 117.85 2k5e n LEU 30 Ca -0.02 -0.99 0.18 0.00 -0.03 0.00 0.00 56.01 55.15 2k5e n LEU 30 Cb 0.54 -0.05 0.89 0.00 -2.33 0.00 0.00 43.42 42.47 2k5e n LEU 30 CO 0.26 0.24 1.06 1.23 -1.33 0.00 0.00 177.39 178.85 2k5e h GLY 31 N 0.00 0.00 1.10 -0.72 0.00 -1.84 -2.36 103.07 99.25 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 -0.22 0.00 3.07 -1.83 0.96 117.51 120.16 2k5e h ILE 33 Ca 0.00 -0.08 -0.06 0.00 1.55 0.00 0.00 64.86 66.27 2k5e h ILE 33 Cb 0.04 0.41 -0.01 0.00 -0.27 0.00 0.00 36.82 37.00 2k5e h ILE 33 CO 0.00 0.04 -0.10 1.23 -1.05 0.00 0.00 178.15 178.28 2k5e h GLY 34 N 0.23 0.49 0.64 0.16 0.00 -1.85 0.21 103.07 102.94 2k5e h GLY 34 Ca 0.41 -0.43 -0.00 0.00 0.00 0.00 0.00 47.33 47.31 2k5e h GLY 34 CO -0.10 0.39 -0.03 0.00 0.00 0.00 0.00 176.54 176.81 2k5e n MET 36 N -4.95 0.75 -1.07 0.00 0.00 0.11 -4.86 117.12 107.09 2k5e n MET 36 Ca -0.08 0.00 -0.02 0.00 0.00 0.00 0.00 57.70 57.59 2k5e n MET 36 Cb 0.21 -1.36 -0.01 0.00 0.00 0.00 0.00 33.22 32.05 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 0.43 0.54 0.00 3.17 0.00 -0.98 -4.88 105.19 103.46 2k5e n GLY 37 Ca 0.13 -0.25 0.05 0.00 0.00 0.00 0.00 46.02 45.95 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 1.04 2.18 -0.32 4.61 0.00 0.69 -3.52 120.51 125.20 2k5e n ALA 38 Ca -0.02 -0.06 0.04 0.00 0.00 0.00 0.00 53.44 53.39 2k5e n ALA 38 Cb 0.19 -1.16 0.22 0.00 0.00 0.00 0.00 19.45 18.71 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 1.03 -0.18 0.00 1.08 -1.88 -0.97 115.11 114.19 2k5e h GLN 39 Ca 0.00 -0.06 0.00 0.00 -1.45 0.00 0.00 58.65 57.14 2k5e h GLN 39 Cb 0.00 -0.23 0.00 0.00 -0.05 0.00 0.00 27.48 27.20 2k5e h GLN 39 CO 0.00 0.68 0.00 0.09 -0.95 0.00 0.00 178.83 178.65 2k5e n ASN 40 N -4.49 1.54 -4.81 1.46 3.02 -1.23 -1.88 115.26 108.87 2k5e n ASN 40 Ca 0.14 -1.74 -0.32 0.00 -0.03 0.00 0.00 54.58 52.63 2k5e n ASN 40 Cb 0.19 -0.12 -0.06 0.00 -0.61 0.00 0.00 39.78 39.18 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 -1.76 3.11 0.56 3.52 2.12 -0.37 -4.90 118.70 120.98 2k5e s GLU 41 Ca 0.30 -0.51 -0.19 0.00 0.36 0.00 0.00 54.97 54.93 2k5e s GLU 41 Cb 0.16 -2.88 -0.05 0.00 0.26 0.00 0.00 34.13 31.62 2k5e s GLU 41 CO 0.24 0.63 1.12 -1.54 -0.54 0.00 0.00 175.26 175.16 2k5e s SER 42 N -1.99 5.64 0.29 -1.70 1.04 -1.26 -1.72 113.70 114.00 2k5e s SER 42 Ca 0.26 2.12 0.03 0.00 0.48 0.00 0.00 55.95 58.84 2k5e s SER 42 Cb -0.12 -2.57 0.65 0.00 0.10 0.00 0.00 66.02 64.07 2k5e s SER 42 CO 0.18 -1.27 1.80 -0.07 0.98 0.00 0.00 173.24 174.86 2k5e h LEU 43 N 0.97 0.81 -0.40 2.42 3.38 -1.03 -2.12 115.31 119.35 2k5e h LEU 43 Ca -0.49 0.08 -0.08 0.00 0.09 0.00 0.00 57.88 57.48 2k5e h LEU 43 Cb 1.25 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.92 2k5e h LEU 43 CO 0.56 0.35 -0.05 -0.08 0.09 0.00 0.00 178.44 179.31 2k5e h GLU 44 N 0.84 0.73 0.21 1.13 4.81 -1.83 -1.09 114.58 119.37 2k5e h GLU 44 Ca 0.54 -0.26 -0.01 0.00 -0.13 0.00 0.00 59.36 59.49 2k5e h GLU 44 Cb 0.72 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 30.05 2k5e h GLU 44 CO -0.34 0.85 -0.10 1.96 -0.73 0.00 0.00 179.01 180.66 2k5e h GLN 45 N 0.55 -0.27 -0.56 1.92 4.20 -1.69 -0.86 115.11 118.40 2k5e h GLN 45 Ca 0.11 0.02 0.01 0.00 0.06 0.00 0.00 58.65 58.85 2k5e h GLN 45 Cb 0.56 0.06 -0.03 0.00 0.30 0.00 0.00 27.48 28.37 2k5e h GLN 45 CO 0.03 -0.13 0.37 0.78 -0.67 0.00 0.00 178.83 179.21 2k5e h GLY 46 N -0.34 0.78 0.99 3.46 0.00 -1.47 -0.04 103.07 106.45 2k5e h GLY 46 Ca -0.03 -0.29 -0.03 0.00 0.00 0.00 0.00 47.33 46.98 2k5e h GLY 46 CO 0.05 0.27 -0.33 0.00 0.00 0.00 0.00 176.54 176.53 2k5e h ALA 47 N 1.66 -0.92 -0.68 3.60 0.00 -0.82 -2.20 119.26 119.89 2k5e h ALA 47 Ca 0.21 -0.21 0.05 0.00 0.00 0.00 0.00 54.91 54.96 2k5e h ALA 47 Cb -0.05 0.36 -0.04 0.00 0.00 0.00 0.00 17.79 18.06 2k5e h ALA 47 CO -0.05 -1.01 0.45 -0.91 0.00 0.00 0.00 179.25 177.74 2k5e h ASN 48 N -0.95 0.66 -0.83 0.00 2.35 -0.94 0.23 115.58 116.10 2k5e h ASN 48 Ca -0.09 -0.00 0.06 0.00 -0.55 0.00 0.00 56.30 55.71 2k5e h ASN 48 Cb 0.72 -0.15 -0.06 0.00 0.05 0.00 0.00 38.32 38.88 2k5e h ASN 48 CO 0.16 0.45 0.51 0.00 -1.65 0.00 0.00 177.43 176.89 2k5e h ALA 49 N 1.61 1.13 -0.02 -0.83 0.00 -0.81 -1.24 119.26 119.11 2k5e h ALA 49 Ca 0.28 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.18 2k5e h ALA 49 Cb 0.16 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.72 2k5e h ALA 49 CO -0.09 0.26 -0.01 0.72 0.00 0.00 0.00 179.25 180.13 2k5e n HIS 50 N -4.63 0.00 -2.24 0.00 8.25 -0.80 -4.96 115.22 110.83 2k5e n HIS 50 Ca 0.11 0.00 -0.05 0.00 -0.26 0.00 0.00 57.72 57.52 2k5e n HIS 50 Cb 0.16 -0.01 0.03 0.00 1.12 0.00 0.00 29.99 31.29 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 1.20 0.23 3.12 -1.41 0.00 -0.17 -5.08 105.19 103.07 2k5e n GLY 51 Ca 0.18 -0.15 -0.23 0.00 0.00 0.00 0.00 46.02 45.83 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 -3.57 2.03 -0.55 0.99 1.43 0.63 -4.97 118.68 114.68 2k5e s LEU 52 Ca 0.07 -0.27 -0.27 0.00 -1.03 0.00 0.00 54.13 52.63 2k5e s LEU 52 Cb -0.01 -0.74 -0.01 0.00 0.03 0.00 0.00 46.19 45.46 2k5e s LEU 52 CO 0.23 0.17 1.68 0.21 0.23 0.00 0.00 176.35 178.88 2k5e s ASN 53 N -0.37 5.69 0.41 2.29 2.47 -1.26 -3.86 114.94 120.30 2k5e s ASN 53 Ca 0.05 0.45 0.16 0.00 0.42 0.00 0.00 52.86 53.95 2k5e s ASN 53 Cb -0.06 -2.54 1.03 0.00 -1.45 0.00 0.00 41.25 38.24 2k5e s ASN 53 CO -0.00 -2.03 1.86 1.62 -3.72 0.00 0.00 177.10 174.83 2k5e h VAL 54 N 6.67 0.71 -0.61 -5.21 3.04 -1.92 -0.69 116.25 118.24 2k5e h VAL 54 Ca -0.28 -0.16 -0.02 0.00 -1.01 0.00 0.00 66.70 65.23 2k5e h VAL 54 Cb 1.14 0.21 -0.03 0.00 -2.01 0.00 0.00 31.29 30.60 2k5e h VAL 54 CO 1.18 0.08 0.30 -0.33 -1.01 0.00 0.00 177.57 177.79 2k5e h GLU 55 N 0.46 0.86 -0.04 4.17 4.39 -2.00 -0.80 114.58 121.63 2k5e h GLU 55 Ca 0.46 -0.11 -0.16 0.00 0.34 0.00 0.00 59.36 59.89 2k5e h GLU 55 Cb 1.07 -0.17 -0.01 0.00 -0.10 0.00 0.00 28.75 29.54 2k5e h GLU 55 CO -0.18 0.67 -0.70 0.22 -1.16 0.00 0.00 179.01 177.86 2k5e h ASP 56 N 0.86 0.23 0.26 1.42 3.58 -1.54 -2.67 116.42 118.57 2k5e h ASP 56 Ca 0.21 -0.15 -0.01 0.00 0.42 0.00 0.00 57.03 57.50 2k5e h ASP 56 Cb 0.09 -0.07 0.00 0.00 1.72 0.00 0.00 39.33 41.07 2k5e h ASP 56 CO -0.03 0.86 -0.13 0.40 -2.88 0.00 0.00 179.24 177.46 2k5e h ILE 57 N 0.13 0.68 -0.75 2.25 2.04 -1.13 -3.11 117.51 117.63 2k5e h ILE 57 Ca -0.02 -0.83 0.11 0.00 1.00 0.00 0.00 64.86 65.12 2k5e h ILE 57 Cb 1.24 1.07 -0.05 0.00 -0.74 0.00 0.00 36.82 38.34 2k5e h ILE 57 CO 0.11 0.15 0.49 -0.07 0.00 0.00 0.00 178.15 178.83 2k5e h LEU 58 N -0.85 0.55 -0.10 1.44 3.38 -1.25 -0.72 115.31 117.76 2k5e h LEU 58 Ca -0.04 0.02 0.04 0.00 0.09 0.00 0.00 57.88 57.99 2k5e h LEU 58 Cb 0.51 -0.10 -0.06 0.00 0.09 0.00 0.00 40.66 41.10 2k5e h LEU 58 CO 0.06 0.32 -0.35 -0.09 0.09 0.00 0.00 178.44 178.47 2k5e h ARG 59 N 0.61 -0.43 -0.06 1.13 2.43 -1.49 -0.61 114.38 115.95 2k5e h ARG 59 Ca 0.35 0.03 -0.16 0.00 -0.81 0.00 0.00 59.98 59.39 2k5e h ARG 59 Cb 0.54 0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 30.18 2k5e h ARG 59 CO -0.13 -0.29 -0.66 0.22 -1.51 0.00 0.00 179.97 177.61 2k5e h ASP 60 N -0.44 0.31 0.13 -3.80 3.58 -1.24 -2.63 116.42 112.32 2k5e h ASP 60 Ca 0.08 -0.19 -0.01 0.00 0.42 0.00 0.00 57.03 57.34 2k5e h ASP 60 Cb 0.58 -0.09 0.00 0.00 1.72 0.00 0.00 39.33 41.54 2k5e h ASP 60 CO -0.35 0.88 -0.06 -0.07 -2.88 0.00 0.00 179.24 176.76 2k5e h LEU 61 N 0.19 -0.15 -1.72 2.28 3.38 -0.93 -2.59 115.31 115.78 2k5e h LEU 61 Ca -0.01 -0.10 -0.03 0.00 0.09 0.00 0.00 57.88 57.82 2k5e h LEU 61 Cb 1.19 0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.97 2k5e h LEU 61 CO 0.10 0.01 -0.16 0.78 0.09 0.00 0.00 178.44 179.26 2k5e h ASN 62 N -0.30 0.00 -0.27 -0.43 2.35 -1.16 -2.12 115.58 113.65 2k5e h ASN 62 Ca -0.02 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.73 2k5e h ASN 62 Cb 0.24 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.59 2k5e h ASN 62 CO 0.03 0.16 0.17 0.00 -1.65 0.00 0.00 177.43 176.14 2k5e h ALA 63 N 1.84 1.76 -0.57 -0.83 0.00 -1.08 -1.22 119.26 119.16 2k5e h ALA 63 Ca -0.00 -0.04 0.03 0.00 0.00 0.00 0.00 54.91 54.90 2k5e h ALA 63 Cb 0.43 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.07 2k5e h ALA 63 CO 0.02 0.21 0.37 -0.07 0.00 0.00 0.00 179.25 179.79 2k5e h LEU 64 N 0.39 0.56 -0.03 0.00 3.38 -1.16 0.51 115.31 118.96 2k5e h LEU 64 Ca 0.10 -0.01 -0.24 0.00 0.09 0.00 0.00 57.88 57.83 2k5e h LEU 64 Cb -0.01 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 40.61 2k5e h LEU 64 CO -0.02 0.38 -1.08 0.00 0.09 0.00 0.00 178.44 177.82 2k5e h ALA 65 N 1.67 0.27 0.00 1.53 0.00 -1.36 -3.27 119.26 118.11 2k5e h ALA 65 Ca 0.23 -0.83 0.00 0.00 0.00 0.00 0.00 54.91 54.31 2k5e h ALA 65 Cb 0.10 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.85 2k5e h ALA 65 CO -0.06 0.98 -0.44 -0.07 0.00 0.00 0.00 179.25 179.66 2k5e h LEU 66 N 0.09 0.00 0.00 0.00 3.38 -0.80 -3.48 115.31 114.50 2k5e h LEU 66 Ca -0.09 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 57.75 2k5e h LEU 66 Cb 1.77 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.52 2k5e h LEU 66 CO 0.17 0.07 0.00 -0.62 0.09 0.00 0.00 178.44 178.15 2k5e n GLU 67 N -2.21 0.00 -1.95 1.13 1.02 0.17 -4.88 120.64 113.92 2k5e n GLU 67 Ca 0.04 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.18 2k5e n GLU 67 Cb 0.44 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.86 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 -1.95 -3.75 -0.32 1.44 -1.26 -4.87 115.22 104.51 2k5e n HIS 68 Ca 0.00 1.17 -0.14 0.00 -2.01 0.00 0.00 57.72 56.74 2k5e n HIS 68 Cb 0.00 -1.94 -0.09 0.00 0.12 0.00 0.00 29.99 28.09 2k5e n HIS 68 CO 0.00 0.00 0.00 -3.38 -2.81 0.00 0.00 176.34 170.15 2k5e s HIS 69 N -0.22 -0.22 0.52 -1.40 -3.43 -1.26 -5.15 115.29 104.12 2k5e s HIS 69 Ca 0.00 0.35 -0.21 0.00 -0.80 0.00 0.00 55.06 54.40 2k5e s HIS 69 Cb 0.00 0.12 -0.06 0.00 -1.43 0.00 0.00 32.58 31.21 2k5e s HIS 69 CO 0.00 -0.39 1.22 -3.38 -2.00 0.00 0.00 174.74 170.18 2k5e s HIS 70 N -1.23 2.61 0.47 0.38 -3.43 -1.26 -4.99 115.29 107.85 2k5e s HIS 70 Ca -0.13 1.49 -0.24 0.00 -0.80 0.00 0.00 55.06 55.39 2k5e s HIS 70 Cb -0.05 -3.49 -0.07 0.00 -1.43 0.00 0.00 32.58 27.54 2k5e s HIS 70 CO 0.04 -1.99 1.31 -1.58 -2.00 0.00 0.00 174.74 170.52 2k5e s HIS 71 N -1.52 2.60 -0.03 0.38 2.46 -1.26 -5.05 115.29 112.87 2k5e s HIS 71 Ca 0.69 1.41 0.01 0.00 0.47 0.00 0.00 55.06 57.64 2k5e s HIS 71 Cb -0.31 -3.68 0.02 0.00 -0.13 0.00 0.00 32.58 28.47 2k5e s HIS 71 CO 0.37 -2.34 -0.03 -1.58 -2.47 0.00 0.00 174.74 168.68 2k5e s HIS 72 N -1.33 0.48 -2.00 3.88 5.04 -1.26 -5.36 115.29 114.73 2k5e s HIS 72 Ca 0.64 -0.09 0.26 0.00 -1.54 0.00 0.00 55.06 54.34 2k5e s HIS 72 Cb -0.37 -0.44 1.56 0.00 0.04 0.00 0.00 32.58 33.36 2k5e s HIS 72 CO 0.46 -0.11 1.91 1.58 -2.34 0.00 0.00 174.74 176.25