#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 0.00 -0.04 2.03 -1.32 -1.26 -5.17 115.64 109.88 2k5e s THR 2 Ca 0.00 -1.70 0.00 0.00 -1.21 0.00 0.00 61.69 58.78 2k5e s THR 2 Cb 0.00 -2.57 0.03 0.00 -1.51 0.00 0.00 72.50 68.44 2k5e s THR 2 CO 0.00 0.00 -0.01 -1.10 -2.21 0.00 0.00 174.62 171.30 2k5e s GLN 3 N -3.28 0.54 0.22 7.08 -0.21 -1.26 -5.03 119.66 117.72 2k5e s GLN 3 Ca 0.33 0.02 -0.05 0.00 0.02 0.00 0.00 55.36 55.68 2k5e s GLN 3 Cb 0.01 -0.70 0.20 0.00 1.00 0.00 0.00 33.01 33.51 2k5e s GLN 3 CO 0.20 -0.15 1.67 0.87 -2.12 0.00 0.00 175.29 175.77 2k5e h LYS 4 N 7.45 0.88 -4.86 2.91 1.57 -1.98 -3.34 116.57 119.19 2k5e h LYS 4 Ca -0.36 -0.29 -0.69 0.00 -1.87 0.00 0.00 60.65 57.44 2k5e h LYS 4 Cb 1.14 -0.07 -0.19 0.00 0.08 0.00 0.00 32.23 33.19 2k5e h LYS 4 CO 0.43 0.93 0.12 -0.06 -0.57 0.00 0.00 179.45 180.30 2k5e s PHE 5 N -4.86 2.99 0.47 -1.35 0.40 -1.26 -5.02 117.98 109.35 2k5e s PHE 5 Ca -0.10 -0.75 0.06 0.00 -0.60 0.00 0.00 56.93 55.53 2k5e s PHE 5 Cb 0.14 -3.85 -0.02 0.00 0.51 0.00 0.00 43.02 39.80 2k5e s PHE 5 CO 0.84 -1.22 0.24 -0.08 0.70 0.00 0.00 175.22 175.70 2k5e s THR 6 N 2.78 1.98 0.22 0.64 -1.32 -1.26 -4.81 115.64 113.86 2k5e s THR 6 Ca 0.14 -1.64 0.17 0.00 -1.21 0.00 0.00 61.69 59.15 2k5e s THR 6 Cb -0.22 -2.62 0.11 0.00 -1.51 0.00 0.00 72.50 68.26 2k5e s THR 6 CO 0.09 0.00 1.73 0.07 -2.21 0.00 0.00 174.62 174.30 2k5e h LYS 7 N 1.17 0.00 -0.02 7.08 2.10 -1.94 -3.24 116.57 121.71 2k5e h LYS 7 Ca -0.41 0.00 -0.19 0.00 -2.00 0.00 0.00 60.65 58.05 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 0.65 0.41 -0.82 0.22 -2.00 0.00 0.00 179.45 177.91 2k5e h ASP 8 N 0.00 0.33 -4.15 7.07 3.58 -1.96 -2.98 116.42 118.31 2k5e h ASP 8 Ca -0.00 -0.25 -0.50 0.00 0.42 0.00 0.00 57.03 56.70 2k5e h ASP 8 Cb 0.89 -0.10 0.07 0.00 1.72 0.00 0.00 39.33 41.92 2k5e h ASP 8 CO 0.05 1.02 0.39 0.00 -2.88 0.00 0.00 179.24 177.83 2k5e s MET 9 N -3.36 3.22 0.54 0.28 0.23 -1.23 -4.69 119.30 114.30 2k5e s MET 9 Ca -0.04 1.41 -0.06 0.00 -1.03 0.00 0.00 55.69 55.98 2k5e s MET 9 Cb 0.10 -2.01 -0.02 0.00 -1.53 0.00 0.00 34.83 31.38 2k5e s MET 9 CO 0.83 -0.92 0.85 0.95 -2.03 0.00 0.00 175.02 174.71 2k5e s THR 10 N -2.14 4.35 0.26 3.16 -4.23 -1.26 -0.85 115.64 114.93 2k5e s THR 10 Ca 0.68 0.16 -0.04 0.00 -1.18 0.00 0.00 61.69 61.31 2k5e s THR 10 Cb -0.20 -3.69 0.25 0.00 1.34 0.00 0.00 72.50 70.20 2k5e s THR 10 CO 0.33 -0.70 1.88 -0.26 -0.54 0.00 0.00 174.62 175.32 2k5e h PHE 11 N 0.01 1.14 -0.37 3.99 0.04 -1.23 -1.58 116.94 118.94 2k5e h PHE 11 Ca -0.46 0.03 0.05 0.00 2.80 0.00 0.00 57.97 60.39 2k5e h PHE 11 Cb 1.23 -0.37 -0.04 0.00 2.20 0.00 0.00 35.95 38.96 2k5e h PHE 11 CO 0.54 0.59 0.11 0.00 -0.60 0.00 0.00 178.31 178.95 2k5e h ALA 12 N 1.43 0.42 -0.36 2.45 0.00 -1.59 0.05 119.26 121.66 2k5e h ALA 12 Ca 0.41 0.05 0.03 0.00 0.00 0.00 0.00 54.91 55.40 2k5e h ALA 12 Cb 0.15 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 2k5e h ALA 12 CO -0.17 -0.29 0.17 1.96 0.00 0.00 0.00 179.25 180.92 2k5e h GLN 13 N 0.25 0.34 0.17 0.00 4.20 -1.69 -2.02 115.11 116.37 2k5e h GLN 13 Ca 0.17 -0.02 -0.00 0.00 0.06 0.00 0.00 58.65 58.86 2k5e h GLN 13 Cb 0.17 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 27.87 2k5e h GLN 13 CO -0.20 0.22 -0.13 0.00 -0.67 0.00 0.00 178.83 178.06 2k5e h ALA 14 N 1.20 -0.29 -1.01 3.87 0.00 -0.81 -0.16 119.26 122.07 2k5e h ALA 14 Ca 0.15 -0.05 0.07 0.00 0.00 0.00 0.00 54.91 55.08 2k5e h ALA 14 Cb 0.08 0.17 -0.07 0.00 0.00 0.00 0.00 17.79 17.97 2k5e h ALA 14 CO -0.12 -0.67 0.65 -0.07 0.00 0.00 0.00 179.25 179.04 2k5e h LEU 15 N -0.31 1.03 -0.20 0.00 3.38 -0.91 -2.50 115.31 115.81 2k5e h LEU 15 Ca -0.01 0.01 -0.21 0.00 0.09 0.00 0.00 57.88 57.76 2k5e h LEU 15 Cb 0.27 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 2k5e h LEU 15 CO -0.00 0.65 -0.94 1.56 0.09 0.00 0.00 178.44 179.80 2k5e h GLN 16 N 1.16 0.25 0.03 1.13 1.08 -1.19 -3.33 115.11 114.25 2k5e h GLN 16 Ca 0.44 -0.29 0.01 0.00 -1.45 0.00 0.00 58.65 57.36 2k5e h GLN 16 Cb 0.20 0.09 -0.01 0.00 -0.05 0.00 0.00 27.48 27.70 2k5e h GLN 16 CO -0.18 1.02 -0.08 1.15 -0.95 0.00 0.00 178.83 179.79 2k5e h THR 17 N 0.13 0.80 -3.51 -0.54 2.02 -0.58 -3.44 112.91 107.79 2k5e h THR 17 Ca -0.06 0.00 -0.25 0.00 0.77 0.00 0.00 66.41 66.87 2k5e h THR 17 Cb 1.59 0.80 -0.30 0.00 -1.74 0.00 0.00 68.15 68.49 2k5e h THR 17 CO 0.15 0.00 -0.67 -1.00 0.37 0.00 0.00 175.52 174.37 2k5e s HIS 18 N -6.17 -0.05 0.17 3.16 3.76 -1.09 -5.07 115.29 110.01 2k5e s HIS 18 Ca -0.14 0.20 -0.14 0.00 -0.15 0.00 0.00 55.06 54.83 2k5e s HIS 18 Cb 0.07 -0.08 0.08 0.00 1.11 0.00 0.00 32.58 33.76 2k5e s HIS 18 CO 0.66 -0.07 1.80 -1.35 -0.85 0.00 0.00 174.74 174.93 2k5e h PRO 19 N 6.67 0.53 0.00 8.40 0.11 -1.85 -2.79 132.00 143.06 2k5e h PRO 19 Ca -0.35 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.73 2k5e h PRO 19 Cb 1.17 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.16 2k5e h PRO 19 CO 0.47 0.35 0.03 0.41 -0.21 0.00 0.00 178.00 179.05 2k5e n GLY 20 N -1.23 -0.84 0.36 -0.55 0.00 -1.26 -2.29 105.19 99.38 2k5e n GLY 20 Ca 0.03 0.19 0.09 0.00 0.00 0.00 0.00 46.02 46.33 2k5e n GLY 20 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2k5e h VAL 21 N 0.00 0.94 -0.15 1.61 2.07 -1.81 -2.28 116.25 116.64 2k5e h VAL 21 Ca 0.00 -0.23 0.03 0.00 0.82 0.00 0.00 66.70 67.31 2k5e h VAL 21 Cb 0.06 0.20 -0.03 0.00 -1.52 0.00 0.00 31.29 30.01 2k5e h VAL 21 CO 0.00 0.12 -0.03 0.00 0.02 0.00 0.00 177.57 177.69 2k5e h ALA 22 N 1.61 0.10 -0.76 1.67 0.00 -1.69 -0.82 119.26 119.38 2k5e h ALA 22 Ca 0.35 0.05 0.01 0.00 0.00 0.00 0.00 54.91 55.32 2k5e h ALA 22 Cb 0.46 0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.31 2k5e h ALA 22 CO -0.13 -0.47 0.50 0.78 0.00 0.00 0.00 179.25 179.93 2k5e h GLY 23 N 0.01 1.06 0.81 0.00 0.00 -1.64 -2.09 103.07 101.23 2k5e h GLY 23 Ca 0.07 -0.40 -0.02 0.00 0.00 0.00 0.00 47.33 46.98 2k5e h GLY 23 CO -0.14 0.39 -0.20 -2.08 0.00 0.00 0.00 176.54 174.51 2k5e h VAL 24 N 1.03 0.56 -0.45 4.60 2.07 -1.10 -2.01 116.25 120.94 2k5e h VAL 24 Ca 0.28 -0.32 0.08 0.00 0.82 0.00 0.00 66.70 67.55 2k5e h VAL 24 Cb -0.12 0.71 -0.07 0.00 -1.52 0.00 0.00 31.29 30.29 2k5e h VAL 24 CO -0.06 0.06 0.06 -0.07 0.02 0.00 0.00 177.57 177.58 2k5e h LEU 25 N -0.77 -0.05 -1.19 2.57 3.38 -1.02 -0.85 115.31 117.37 2k5e h LEU 25 Ca -0.06 0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.00 2k5e h LEU 25 Cb 0.53 0.13 -0.04 0.00 0.09 0.00 0.00 40.66 41.38 2k5e h LEU 25 CO 0.10 0.01 0.49 0.03 0.09 0.00 0.00 178.44 179.15 2k5e h ARG 26 N 0.19 1.04 -0.36 1.13 3.08 -1.42 0.38 114.38 118.42 2k5e h ARG 26 Ca 0.22 -0.08 -0.01 0.00 0.07 0.00 0.00 59.98 60.19 2k5e h ARG 26 Cb 0.30 -0.23 -0.02 0.00 0.08 0.00 0.00 29.97 30.10 2k5e h ARG 26 CO -0.31 0.71 0.18 1.03 -1.07 0.00 0.00 179.97 180.50 2k5e h SER 27 N 1.07 0.44 -0.39 7.04 0.87 -0.39 -2.37 113.55 119.82 2k5e h SER 27 Ca 0.28 -0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.81 2k5e h SER 27 Cb -0.08 -0.11 0.00 0.00 -0.44 0.00 0.00 62.40 61.77 2k5e h SER 27 CO -0.06 0.37 0.00 -1.22 -0.53 0.00 0.00 176.83 175.39 2k5e n TYR 28 N -4.43 0.50 -2.16 2.24 4.02 -0.81 -4.96 117.16 111.57 2k5e n TYR 28 Ca 0.02 -0.25 -0.04 0.00 -0.01 0.00 0.00 57.90 57.62 2k5e n TYR 28 Cb 0.11 0.00 0.02 0.00 -0.02 0.00 0.00 39.34 39.45 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 1.22 -2.53 -0.13 7.72 2.85 -0.80 -4.99 115.26 118.59 2k5e n ASN 29 Ca 0.19 -0.16 0.02 0.00 -0.11 0.00 0.00 54.58 54.52 2k5e n ASN 29 Cb 0.53 -1.65 0.03 0.00 1.24 0.00 0.00 39.78 39.94 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 -1.84 1.05 0.17 1.20 4.77 0.13 -4.81 117.00 117.66 2k5e n LEU 30 Ca -0.05 -1.44 0.13 0.00 -0.03 0.00 0.00 56.01 54.63 2k5e n LEU 30 Cb 0.54 -0.09 0.51 0.00 -2.33 0.00 0.00 43.42 42.04 2k5e n LEU 30 CO 0.15 0.35 0.89 1.23 -1.33 0.00 0.00 177.39 178.68 2k5e h GLY 31 N 0.00 0.00 1.55 -0.72 0.00 -1.82 -2.83 103.07 99.24 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 0.44 -0.00 0.00 3.07 -1.90 0.71 117.51 119.83 2k5e h ILE 33 Ca 0.00 0.00 -0.05 0.00 1.55 0.00 0.00 64.86 66.36 2k5e h ILE 33 Cb 0.17 0.74 0.00 0.00 -0.27 0.00 0.00 36.82 37.46 2k5e h ILE 33 CO 0.00 0.00 -0.19 1.23 -1.05 0.00 0.00 178.15 178.14 2k5e h GLY 34 N 0.00 0.15 0.97 0.16 0.00 -1.86 0.14 103.07 102.62 2k5e h GLY 34 Ca 0.15 -0.26 -0.09 0.00 0.00 0.00 0.00 47.33 47.13 2k5e h GLY 34 CO -0.00 0.23 -0.12 0.00 0.00 0.00 0.00 176.54 176.65 2k5e n MET 36 N -4.35 0.59 -2.87 0.00 0.00 0.09 -4.96 117.12 105.64 2k5e n MET 36 Ca -0.02 -0.19 -0.10 0.00 0.00 0.00 0.00 57.70 57.39 2k5e n MET 36 Cb 0.37 -1.50 0.05 0.00 0.00 0.00 0.00 33.22 32.15 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 1.31 -0.07 1.78 3.17 0.00 -1.01 -4.95 105.19 105.41 2k5e n GLY 37 Ca 0.13 -0.10 0.02 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 -2.91 4.06 -0.07 4.61 0.00 0.47 -4.63 120.51 122.02 2k5e n ALA 38 Ca -0.17 -2.19 -0.10 0.00 0.00 0.00 0.00 53.44 50.97 2k5e n ALA 38 Cb 0.60 -1.10 -0.04 0.00 0.00 0.00 0.00 19.45 18.91 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 3.08 0.35 -0.09 0.00 1.08 -1.93 -2.50 115.11 115.10 2k5e h GLN 39 Ca 0.11 -0.06 0.00 0.00 -1.45 0.00 0.00 58.65 57.25 2k5e h GLN 39 Cb 2.04 -0.06 0.00 0.00 -0.05 0.00 0.00 27.48 29.42 2k5e h GLN 39 CO 0.55 0.38 0.00 0.09 -0.95 0.00 0.00 178.83 178.91 2k5e n ASN 40 N -4.81 0.68 -4.89 1.46 3.02 -1.26 -1.66 115.26 107.81 2k5e n ASN 40 Ca -0.03 -1.69 -0.33 0.00 -0.03 0.00 0.00 54.58 52.50 2k5e n ASN 40 Cb 0.12 -0.06 -0.05 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 -1.88 3.63 0.52 3.52 2.12 -0.94 -4.91 118.70 120.75 2k5e s GLU 41 Ca 0.23 -0.05 -0.20 0.00 0.36 0.00 0.00 54.97 55.30 2k5e s GLU 41 Cb 0.11 -2.96 -0.07 0.00 0.26 0.00 0.00 34.13 31.48 2k5e s GLU 41 CO 0.17 0.55 1.10 -1.12 -0.54 0.00 0.00 175.26 175.43 2k5e s SER 42 N -2.09 5.96 0.25 -1.70 0.01 -1.26 -1.46 113.70 113.40 2k5e s SER 42 Ca 0.35 2.11 -0.04 0.00 1.31 0.00 0.00 55.95 59.68 2k5e s SER 42 Cb -0.13 -2.58 0.45 0.00 0.21 0.00 0.00 66.02 63.98 2k5e s SER 42 CO 0.21 -1.05 1.74 -0.07 0.41 0.00 0.00 173.24 174.48 2k5e h LEU 43 N 1.39 0.36 -0.35 2.44 3.38 -0.99 -1.45 115.31 120.09 2k5e h LEU 43 Ca -0.50 0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.57 2k5e h LEU 43 Cb 1.25 0.05 -0.02 0.00 0.09 0.00 0.00 40.66 42.03 2k5e h LEU 43 CO 0.58 0.16 0.23 -0.08 0.09 0.00 0.00 178.44 179.41 2k5e h GLU 44 N 0.51 0.45 -0.74 1.13 4.81 -1.80 0.40 114.58 119.34 2k5e h GLU 44 Ca 0.41 -0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 59.59 2k5e h GLU 44 Cb 0.59 -0.10 -0.03 0.00 0.63 0.00 0.00 28.75 29.83 2k5e h GLU 44 CO -0.37 0.30 0.35 1.96 -0.73 0.00 0.00 179.01 180.52 2k5e h GLN 45 N 0.46 1.08 -0.39 1.92 4.20 -1.57 -1.46 115.11 119.35 2k5e h GLN 45 Ca 0.13 -0.16 -0.15 0.00 0.06 0.00 0.00 58.65 58.53 2k5e h GLN 45 Cb -0.05 -0.19 -0.01 0.00 0.30 0.00 0.00 27.48 27.53 2k5e h GLN 45 CO -0.03 0.85 -0.34 0.78 -0.67 0.00 0.00 178.83 179.41 2k5e h GLY 46 N 1.05 0.97 0.69 3.46 0.00 -1.18 -2.36 103.07 105.69 2k5e h GLY 46 Ca 0.25 -0.95 -0.00 0.00 0.00 0.00 0.00 47.33 46.63 2k5e h GLY 46 CO -0.03 0.86 -0.31 0.00 0.00 0.00 0.00 176.54 177.06 2k5e h ALA 47 N 0.86 -0.67 0.00 3.60 0.00 -0.54 -2.28 119.26 120.24 2k5e h ALA 47 Ca 0.07 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 2k5e h ALA 47 Cb 0.92 0.43 -0.00 0.00 0.00 0.00 0.00 17.79 19.14 2k5e h ALA 47 CO 0.08 -0.91 -0.01 -0.91 0.00 0.00 0.00 179.25 177.51 2k5e h ASN 48 N -0.66 0.00 -0.05 0.00 2.35 -1.33 0.11 115.58 115.99 2k5e h ASN 48 Ca -0.02 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 55.68 2k5e h ASN 48 Cb 0.60 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.95 2k5e h ASN 48 CO -0.05 0.01 -0.11 0.00 -1.65 0.00 0.00 177.43 175.64 2k5e h ALA 49 N 1.99 1.43 -0.56 -0.83 0.00 -0.87 -2.60 119.26 117.81 2k5e h ALA 49 Ca -0.00 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.69 2k5e h ALA 49 Cb 0.02 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.70 2k5e h ALA 49 CO 0.00 0.40 0.00 0.72 0.00 0.00 0.00 179.25 180.37 2k5e n HIS 50 N -4.26 0.88 -2.94 0.00 8.25 -0.61 -4.98 115.22 111.55 2k5e n HIS 50 Ca -0.00 -0.54 -0.11 0.00 -0.26 0.00 0.00 57.72 56.81 2k5e n HIS 50 Cb 0.27 -0.06 0.06 0.00 1.12 0.00 0.00 29.99 31.38 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 1.06 -0.12 3.24 -1.41 0.00 -0.51 -5.05 105.19 102.41 2k5e n GLY 51 Ca 0.20 -0.07 -0.26 0.00 0.00 0.00 0.00 46.02 45.89 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 -4.90 2.13 -0.29 0.99 1.43 0.26 -4.99 118.68 113.32 2k5e s LEU 52 Ca 0.02 -0.48 -0.29 0.00 -1.03 0.00 0.00 54.13 52.34 2k5e s LEU 52 Cb -0.00 -1.00 -0.00 0.00 0.03 0.00 0.00 46.19 45.22 2k5e s LEU 52 CO 0.49 0.18 1.35 0.21 0.23 0.00 0.00 176.35 178.82 2k5e s ASN 53 N -1.00 6.62 0.39 2.29 3.84 -1.26 -3.87 114.94 121.95 2k5e s ASN 53 Ca 0.08 1.27 0.10 0.00 0.21 0.00 0.00 52.86 54.52 2k5e s ASN 53 Cb -0.09 -2.54 0.88 0.00 -0.55 0.00 0.00 41.25 38.95 2k5e s ASN 53 CO 0.01 -1.11 1.95 1.62 -2.79 0.00 0.00 177.10 176.78 2k5e h VAL 54 N 5.99 0.93 -0.07 -5.21 3.04 -1.93 -2.61 116.25 116.41 2k5e h VAL 54 Ca -0.27 -0.20 0.01 0.00 -1.01 0.00 0.00 66.70 65.23 2k5e h VAL 54 Cb 1.11 0.29 -0.01 0.00 -2.01 0.00 0.00 31.29 30.66 2k5e h VAL 54 CO 1.03 0.11 -0.02 -0.33 -1.01 0.00 0.00 177.57 177.35 2k5e h GLU 55 N 0.60 -0.01 -0.54 4.17 5.08 -1.99 -1.17 114.58 120.72 2k5e h GLU 55 Ca 0.32 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.62 2k5e h GLU 55 Cb 0.46 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.69 2k5e h GLU 55 CO -0.11 -0.00 0.09 0.22 -1.00 0.00 0.00 179.01 178.20 2k5e h ASP 56 N -0.01 0.80 0.22 1.42 3.58 -1.89 -1.82 116.42 118.73 2k5e h ASP 56 Ca 0.03 -0.16 -0.01 0.00 0.42 0.00 0.00 57.03 57.31 2k5e h ASP 56 Cb 0.06 -0.21 0.00 0.00 1.72 0.00 0.00 39.33 40.90 2k5e h ASP 56 CO -0.07 0.81 -0.11 0.40 -2.88 0.00 0.00 179.24 177.39 2k5e h ILE 57 N 0.81 0.85 -0.71 2.25 2.04 -1.38 -3.12 117.51 118.26 2k5e h ILE 57 Ca 0.17 -0.56 0.12 0.00 1.00 0.00 0.00 64.86 65.59 2k5e h ILE 57 Cb 0.36 1.18 -0.05 0.00 -0.74 0.00 0.00 36.82 37.57 2k5e h ILE 57 CO 0.01 0.12 0.47 -0.07 0.00 0.00 0.00 178.15 178.68 2k5e h LEU 58 N -0.59 0.43 0.02 1.44 3.38 -1.06 -1.97 115.31 116.97 2k5e h LEU 58 Ca -0.03 0.02 0.03 0.00 0.09 0.00 0.00 57.88 57.99 2k5e h LEU 58 Cb 0.43 -0.07 -0.05 0.00 0.09 0.00 0.00 40.66 41.06 2k5e h LEU 58 CO 0.05 0.24 -0.33 -0.09 0.09 0.00 0.00 178.44 178.40 2k5e h ARG 59 N 0.47 -0.48 -0.11 1.13 2.43 -1.27 -0.22 114.38 116.33 2k5e h ARG 59 Ca 0.34 0.03 -0.12 0.00 -0.81 0.00 0.00 59.98 59.42 2k5e h ARG 59 Cb 0.66 0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 30.31 2k5e h ARG 59 CO -0.11 -0.32 -0.46 0.22 -1.51 0.00 0.00 179.97 177.79 2k5e h ASP 60 N -0.50 0.30 0.13 -3.80 3.58 -1.41 -1.76 116.42 112.96 2k5e h ASP 60 Ca 0.05 -0.14 -0.01 0.00 0.42 0.00 0.00 57.03 57.36 2k5e h ASP 60 Cb 0.57 -0.08 0.00 0.00 1.72 0.00 0.00 39.33 41.54 2k5e h ASP 60 CO -0.26 0.72 -0.06 -0.07 -2.88 0.00 0.00 179.24 176.68 2k5e h LEU 61 N 0.23 -0.15 -1.49 2.28 3.38 -1.09 -2.68 115.31 115.78 2k5e h LEU 61 Ca 0.01 -0.10 -0.05 0.00 0.09 0.00 0.00 57.88 57.83 2k5e h LEU 61 Cb 0.90 0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.68 2k5e h LEU 61 CO 0.07 0.00 -0.26 0.78 0.09 0.00 0.00 178.44 179.13 2k5e h ASN 62 N -0.30 0.00 0.15 -0.43 2.35 -1.00 -1.80 115.58 114.55 2k5e h ASN 62 Ca -0.02 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.72 2k5e h ASN 62 Cb 0.24 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.61 2k5e h ASN 62 CO 0.03 0.26 -0.06 0.00 -1.65 0.00 0.00 177.43 176.01 2k5e h ALA 63 N 1.74 1.44 -0.09 -0.83 0.00 -1.05 -0.32 119.26 120.16 2k5e h ALA 63 Ca -0.00 -0.05 -0.09 0.00 0.00 0.00 0.00 54.91 54.76 2k5e h ALA 63 Cb 0.52 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 2k5e h ALA 63 CO 0.03 0.07 -0.37 -0.07 0.00 0.00 0.00 179.25 178.92 2k5e h LEU 64 N 0.00 0.18 0.09 0.00 3.38 -1.00 0.16 115.31 118.11 2k5e h LEU 64 Ca -0.00 -0.07 -0.26 0.00 0.09 0.00 0.00 57.88 57.64 2k5e h LEU 64 Cb 0.15 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 2k5e h LEU 64 CO 0.01 0.54 -1.21 0.00 0.09 0.00 0.00 178.44 177.87 2k5e h ALA 65 N 1.48 0.20 0.02 1.53 0.00 -1.17 -3.31 119.26 118.01 2k5e h ALA 65 Ca 0.02 -0.93 -0.21 0.00 0.00 0.00 0.00 54.91 53.79 2k5e h ALA 65 Cb 0.72 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.48 2k5e h ALA 65 CO 0.05 1.09 -1.00 -0.07 0.00 0.00 0.00 179.25 179.32 2k5e h LEU 66 N 0.05 0.06 0.15 0.00 3.38 -1.18 -3.48 115.31 114.31 2k5e h LEU 66 Ca -0.11 -0.07 -0.07 0.00 0.09 0.00 0.00 57.88 57.73 2k5e h LEU 66 Cb 1.92 -0.02 -0.03 0.00 0.09 0.00 0.00 40.66 42.62 2k5e h LEU 66 CO 0.18 1.02 -0.06 -0.62 0.09 0.00 0.00 178.44 179.05 2k5e n GLU 67 N -3.41 -1.58 -3.47 1.13 1.02 0.54 -4.96 120.64 109.90 2k5e n GLU 67 Ca -0.01 0.55 -0.40 0.00 -0.02 0.00 0.00 57.16 57.27 2k5e n GLU 67 Cb 0.93 -4.79 -0.10 0.00 -0.02 0.00 0.00 31.44 27.45 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 -1.44 3.22 0.00 -0.32 3.76 -1.26 -4.80 115.29 114.45 2k5e s HIS 68 Ca 0.00 -0.10 0.00 0.00 -0.15 0.00 0.00 55.06 54.81 2k5e s HIS 68 Cb 0.00 -2.56 0.00 0.00 1.11 0.00 0.00 32.58 31.13 2k5e s HIS 68 CO 0.00 -0.38 0.00 0.72 -0.85 0.00 0.00 174.74 174.23 2k5e n HIS 69 N 5.23 -0.00 -0.05 1.40 8.25 -1.26 -4.98 115.22 123.81 2k5e n HIS 69 Ca -0.11 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.26 2k5e n HIS 69 Cb 0.50 0.01 -0.04 0.00 1.12 0.00 0.00 29.99 31.58 2k5e n HIS 69 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2k5e n HIS 70 N -1.52 0.00 -2.40 4.41 8.25 -1.26 -4.94 115.22 117.75 2k5e n HIS 70 Ca 0.00 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.05 2k5e n HIS 70 Cb 0.00 -0.38 -0.03 0.00 1.12 0.00 0.00 29.99 30.71 2k5e n HIS 70 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 2k5e s HIS 71 N -2.19 2.26 0.06 4.41 5.04 -1.26 -5.00 115.29 118.61 2k5e s HIS 71 Ca -0.14 0.41 -0.08 0.00 -1.54 0.00 0.00 55.06 53.71 2k5e s HIS 71 Cb 0.04 -4.42 -0.05 0.00 0.04 0.00 0.00 32.58 28.19 2k5e s HIS 71 CO 0.21 -1.99 0.35 -1.58 -2.34 0.00 0.00 174.74 169.39 2k5e s HIS 72 N 6.15 3.58 0.00 3.88 2.46 -1.26 -4.85 115.29 125.24 2k5e s HIS 72 Ca 0.50 0.70 0.00 0.00 0.47 0.00 0.00 55.06 56.73 2k5e s HIS 72 Cb -0.10 -2.09 0.00 0.00 -0.13 0.00 0.00 32.58 30.26 2k5e s HIS 72 CO 0.23 0.55 0.41 1.58 -2.47 0.00 0.00 174.74 175.04