#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 0.61 -0.01 2.03 -1.32 -1.26 -5.17 115.64 110.53 2k5e s THR 2 Ca 0.00 -1.54 0.05 0.00 -1.21 0.00 0.00 61.69 58.99 2k5e s THR 2 Cb 0.00 -1.19 -0.03 0.00 -1.51 0.00 0.00 72.50 69.77 2k5e s THR 2 CO 0.00 -0.65 -0.17 -1.10 -2.21 0.00 0.00 174.62 170.49 2k5e s GLN 3 N -2.80 2.28 0.30 7.08 1.11 -1.26 -5.01 119.66 121.37 2k5e s GLN 3 Ca 0.02 -0.84 0.14 0.00 0.01 0.00 0.00 55.36 54.69 2k5e s GLN 3 Cb -0.02 -2.27 0.43 0.00 -1.01 0.00 0.00 33.01 30.15 2k5e s GLN 3 CO -0.03 0.58 1.63 0.87 0.01 0.00 0.00 175.29 178.35 2k5e h LYS 4 N 4.97 0.00 -4.59 2.91 1.79 -1.99 -3.40 116.57 116.26 2k5e h LYS 4 Ca -0.47 0.00 -0.70 0.00 -2.18 0.00 0.00 60.65 57.30 2k5e h LYS 4 Cb 1.15 0.00 -0.31 0.00 -1.58 0.00 0.00 32.23 31.50 2k5e h LYS 4 CO 0.49 0.54 -0.57 -0.06 -1.08 0.00 0.00 179.45 178.77 2k5e s PHE 5 N -3.51 3.36 0.26 -1.35 0.40 -1.26 -5.02 117.98 110.87 2k5e s PHE 5 Ca -0.00 -1.77 0.09 0.00 -0.60 0.00 0.00 56.93 54.66 2k5e s PHE 5 Cb 0.11 -2.66 -0.05 0.00 0.51 0.00 0.00 43.02 40.94 2k5e s PHE 5 CO 0.73 -0.83 -0.14 -0.08 0.70 0.00 0.00 175.22 175.60 2k5e s THR 6 N 1.32 2.06 0.49 0.64 -1.32 -1.26 -4.84 115.64 112.74 2k5e s THR 6 Ca 0.01 -2.27 0.29 0.00 -1.21 0.00 0.00 61.69 58.51 2k5e s THR 6 Cb -0.21 -2.29 0.32 0.00 -1.51 0.00 0.00 72.50 68.81 2k5e s THR 6 CO 0.00 -0.42 2.16 0.07 -2.21 0.00 0.00 174.62 174.22 2k5e h LYS 7 N 2.33 0.00 0.00 7.08 2.10 -1.97 -2.95 116.57 123.16 2k5e h LYS 7 Ca -0.40 0.00 -0.11 0.00 -2.00 0.00 0.00 60.65 58.15 2k5e h LYS 7 Cb 1.24 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 32.56 2k5e h LYS 7 CO 0.63 0.07 -0.59 0.22 -2.00 0.00 0.00 179.45 177.78 2k5e h ASP 8 N 0.00 0.00 -4.13 7.07 3.58 -1.96 -2.46 116.42 118.52 2k5e h ASP 8 Ca -0.00 0.00 -0.47 0.00 0.42 0.00 0.00 57.03 56.98 2k5e h ASP 8 Cb 0.19 0.00 0.01 0.00 1.72 0.00 0.00 39.33 41.25 2k5e h ASP 8 CO 0.01 0.49 0.37 0.00 -2.88 0.00 0.00 179.24 177.22 2k5e s MET 9 N -2.97 3.90 0.62 0.28 0.23 -1.12 -4.63 119.30 115.61 2k5e s MET 9 Ca 0.03 1.12 -0.14 0.00 -1.03 0.00 0.00 55.69 55.67 2k5e s MET 9 Cb 0.08 -2.12 -0.03 0.00 -1.53 0.00 0.00 34.83 31.22 2k5e s MET 9 CO 0.75 -0.32 1.05 0.95 -2.03 0.00 0.00 175.02 175.43 2k5e s THR 10 N -2.34 3.94 0.26 3.16 -4.23 -1.26 -0.87 115.64 114.29 2k5e s THR 10 Ca 0.62 0.83 -0.03 0.00 -1.18 0.00 0.00 61.69 61.93 2k5e s THR 10 Cb -0.12 -3.42 0.24 0.00 1.34 0.00 0.00 72.50 70.55 2k5e s THR 10 CO 0.25 -0.63 1.85 -0.26 -0.54 0.00 0.00 174.62 175.28 2k5e h PHE 11 N 0.13 1.04 -0.43 3.99 0.04 -1.37 -2.30 116.94 118.04 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 1.21 -0.33 -0.04 0.00 2.20 0.00 0.00 35.95 38.99 2k5e h PHE 11 CO 0.60 0.48 0.18 0.00 -0.60 0.00 0.00 178.31 178.97 2k5e h ALA 12 N 1.46 0.53 -0.65 2.45 0.00 -1.73 -1.31 119.26 120.01 2k5e h ALA 12 Ca 0.42 0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.37 2k5e h ALA 12 Cb 0.29 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 2k5e h ALA 12 CO -0.21 -0.20 0.39 1.96 0.00 0.00 0.00 179.25 181.19 2k5e h GLN 13 N 0.37 0.87 -0.20 0.00 4.20 -1.73 -1.85 115.11 116.77 2k5e h GLN 13 Ca 0.20 -0.08 0.03 0.00 0.06 0.00 0.00 58.65 58.86 2k5e h GLN 13 Cb 0.16 -0.18 -0.03 0.00 0.30 0.00 0.00 27.48 27.72 2k5e h GLN 13 CO -0.18 0.62 0.02 0.00 -0.67 0.00 0.00 178.83 178.62 2k5e h ALA 14 N 1.20 0.19 -0.46 3.87 0.00 -0.92 0.76 119.26 123.90 2k5e h ALA 14 Ca 0.23 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.18 2k5e h ALA 14 Cb -0.03 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 2k5e h ALA 14 CO -0.04 -0.42 0.24 -0.07 0.00 0.00 0.00 179.25 178.96 2k5e h LEU 15 N 0.09 0.56 -0.45 0.00 3.38 -1.03 -1.79 115.31 116.05 2k5e h LEU 15 Ca 0.09 -0.04 -0.17 0.00 0.09 0.00 0.00 57.88 57.85 2k5e h LEU 15 Cb 0.10 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 2k5e h LEU 15 CO -0.14 0.46 -0.67 1.56 0.09 0.00 0.00 178.44 179.74 2k5e h GLN 16 N 0.63 0.44 -0.37 1.13 1.08 -0.87 -3.31 115.11 113.85 2k5e h GLN 16 Ca 0.16 -0.33 -0.11 0.00 -1.45 0.00 0.00 58.65 56.93 2k5e h GLN 16 Cb 0.04 0.06 -0.01 0.00 -0.05 0.00 0.00 27.48 27.52 2k5e h GLN 16 CO -0.03 0.95 -0.20 1.15 -0.95 0.00 0.00 178.83 179.76 2k5e h THR 17 N 0.31 1.28 -2.40 -0.54 2.02 -0.13 -3.44 112.91 110.02 2k5e h THR 17 Ca -0.02 -1.33 -0.06 0.00 0.77 0.00 0.00 66.41 65.78 2k5e h THR 17 Cb 1.23 1.36 -0.25 0.00 -1.74 0.00 0.00 68.15 68.74 2k5e h THR 17 CO 0.12 0.44 -0.28 -1.00 0.37 0.00 0.00 175.52 175.17 2k5e s HIS 18 N -4.59 -0.89 0.44 3.16 3.76 -0.74 -5.04 115.29 111.38 2k5e s HIS 18 Ca -0.12 1.69 0.15 0.00 -0.15 0.00 0.00 55.06 56.63 2k5e s HIS 18 Cb 0.10 0.42 1.06 0.00 1.11 0.00 0.00 32.58 35.27 2k5e s HIS 18 CO 0.83 -0.50 1.97 -1.35 -0.85 0.00 0.00 174.74 174.84 2k5e h PRO 19 N 7.86 0.38 -0.04 8.40 0.11 -1.84 -1.36 132.00 145.50 2k5e h PRO 19 Ca -0.21 -0.02 0.01 0.00 0.11 0.00 0.00 66.00 65.89 2k5e h PRO 19 Cb 1.13 -0.08 -0.00 0.00 0.11 0.00 0.00 31.00 32.15 2k5e h PRO 19 CO 0.15 0.25 0.18 0.78 -0.21 0.00 0.00 178.00 179.15 2k5e h GLY 20 N 0.39 0.00 1.51 -0.55 0.00 -1.94 -0.81 103.07 101.67 2k5e h GLY 20 Ca 0.30 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.62 2k5e h GLY 20 CO -0.08 0.00 0.27 -2.08 0.00 0.00 0.00 176.54 174.65 2k5e h VAL 21 N 0.00 1.15 -0.47 4.60 2.07 -1.55 -2.69 116.25 119.36 2k5e h VAL 21 Ca 0.02 -0.36 0.05 0.00 0.82 0.00 0.00 66.70 67.24 2k5e h VAL 21 Cb 0.37 0.49 -0.05 0.00 -1.52 0.00 0.00 31.29 30.59 2k5e h VAL 21 CO -0.00 0.16 0.19 0.00 0.02 0.00 0.00 177.57 177.94 2k5e h ALA 22 N 1.63 0.57 -0.71 1.67 0.00 -1.33 0.59 119.26 121.69 2k5e h ALA 22 Ca 0.17 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.11 2k5e h ALA 22 Cb 0.01 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 2k5e h ALA 22 CO -0.03 -0.19 0.38 0.78 0.00 0.00 0.00 179.25 180.19 2k5e h GLY 23 N 0.38 1.08 0.94 0.00 0.00 -1.63 -0.68 103.07 103.16 2k5e h GLY 23 Ca 0.22 -0.50 -0.01 0.00 0.00 0.00 0.00 47.33 47.03 2k5e h GLY 23 CO -0.20 0.48 -0.14 -2.08 0.00 0.00 0.00 176.54 174.60 2k5e h VAL 24 N 0.99 0.72 -0.07 4.60 2.07 -1.20 -1.22 116.25 122.13 2k5e h VAL 24 Ca 0.25 -0.12 0.02 0.00 0.82 0.00 0.00 66.70 67.67 2k5e h VAL 24 Cb 0.06 0.79 -0.03 0.00 -1.52 0.00 0.00 31.29 30.59 2k5e h VAL 24 CO -0.04 0.03 -0.08 -0.07 0.02 0.00 0.00 177.57 177.43 2k5e h LEU 25 N -0.47 -0.23 -0.59 2.57 3.38 -0.81 -1.61 115.31 117.56 2k5e h LEU 25 Ca -0.04 0.05 0.05 0.00 0.09 0.00 0.00 57.88 58.03 2k5e h LEU 25 Cb 0.35 0.12 -0.05 0.00 0.09 0.00 0.00 40.66 41.17 2k5e h LEU 25 CO 0.07 -0.11 0.31 0.03 0.09 0.00 0.00 178.44 178.83 2k5e h ARG 26 N -0.10 0.57 -0.47 1.13 3.08 -1.11 0.41 114.38 117.90 2k5e h ARG 26 Ca 0.06 -0.03 0.02 0.00 0.07 0.00 0.00 59.98 60.09 2k5e h ARG 26 Cb 0.18 -0.13 -0.03 0.00 0.08 0.00 0.00 29.97 30.07 2k5e h ARG 26 CO -0.13 0.38 0.31 1.03 -1.07 0.00 0.00 179.97 180.49 2k5e h SER 27 N 0.59 0.48 -0.37 7.04 0.87 -0.92 -1.45 113.55 119.79 2k5e h SER 27 Ca 0.26 -0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.81 2k5e h SER 27 Cb 0.16 -0.12 0.00 0.00 -0.44 0.00 0.00 62.40 62.00 2k5e h SER 27 CO -0.17 0.34 0.00 -1.22 -0.53 0.00 0.00 176.83 175.25 2k5e n TYR 28 N -4.47 0.67 -1.53 2.24 4.02 -0.54 -4.90 117.16 112.65 2k5e n TYR 28 Ca 0.05 -0.29 -0.11 0.00 -0.01 0.00 0.00 57.90 57.54 2k5e n TYR 28 Cb 0.12 -0.08 -0.04 0.00 -0.02 0.00 0.00 39.34 39.32 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 0.58 -4.08 -0.69 7.72 2.85 -0.54 -4.89 115.26 116.21 2k5e n ASN 29 Ca 0.14 0.19 0.11 0.00 -0.11 0.00 0.00 54.58 54.91 2k5e n ASN 29 Cb 0.44 -2.71 0.05 0.00 1.24 0.00 0.00 39.78 38.79 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 -1.28 2.43 0.29 1.20 4.77 0.13 -4.48 117.00 120.07 2k5e n LEU 30 Ca -0.11 -0.88 0.17 0.00 -0.03 0.00 0.00 56.01 55.16 2k5e n LEU 30 Cb 0.41 0.00 0.97 0.00 -2.33 0.00 0.00 43.42 42.47 2k5e n LEU 30 CO 0.16 0.43 1.14 1.23 -1.33 0.00 0.00 177.39 179.02 2k5e h GLY 31 N 4.49 0.00 1.13 -0.72 0.00 -1.76 -1.13 103.07 105.08 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 0.60 -0.18 0.00 3.07 -1.55 0.53 117.51 119.98 2k5e h ILE 33 Ca 0.00 -0.19 -0.02 0.00 1.55 0.00 0.00 64.86 66.20 2k5e h ILE 33 Cb 0.04 -0.02 -0.01 0.00 -0.27 0.00 0.00 36.82 36.56 2k5e h ILE 33 CO 0.00 0.10 0.04 1.23 -1.05 0.00 0.00 178.15 178.47 2k5e h GLY 34 N 0.57 0.32 1.53 0.16 0.00 -1.84 0.38 103.07 104.18 2k5e h GLY 34 Ca 0.59 -0.21 -0.09 0.00 0.00 0.00 0.00 47.33 47.63 2k5e h GLY 34 CO -0.37 0.19 -0.18 0.00 0.00 0.00 0.00 176.54 176.18 2k5e n MET 36 N -4.15 0.57 -1.43 0.00 0.00 -0.02 -4.96 117.12 107.14 2k5e n MET 36 Ca 0.00 -0.31 -0.03 0.00 0.00 0.00 0.00 57.70 57.36 2k5e n MET 36 Cb 0.37 -1.49 -0.01 0.00 0.00 0.00 0.00 33.22 32.09 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 1.37 0.49 0.81 3.17 0.00 -0.18 -4.93 105.19 105.93 2k5e n GLY 37 Ca 0.11 -0.87 -0.00 0.00 0.00 0.00 0.00 46.02 45.25 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 0.28 2.67 -0.19 4.61 0.00 0.12 -4.33 120.51 123.67 2k5e n ALA 38 Ca -0.03 -0.19 -0.07 0.00 0.00 0.00 0.00 53.44 53.15 2k5e n ALA 38 Cb 0.25 -1.02 0.02 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 0.22 0.78 -0.54 0.00 1.08 -1.92 -2.70 115.11 112.04 2k5e h GLN 39 Ca 0.02 -0.11 0.00 0.00 -1.45 0.00 0.00 58.65 57.11 2k5e h GLN 39 Cb 0.84 -0.14 0.00 0.00 -0.05 0.00 0.00 27.48 28.12 2k5e h GLN 39 CO 0.06 0.63 0.00 0.09 -0.95 0.00 0.00 178.83 178.66 2k5e n ASN 40 N -4.58 2.59 -4.80 1.46 3.02 -1.26 -2.16 115.26 109.53 2k5e n ASN 40 Ca 0.03 -2.19 -0.33 0.00 -0.03 0.00 0.00 54.58 52.06 2k5e n ASN 40 Cb 0.11 -0.39 -0.07 0.00 -0.61 0.00 0.00 39.78 38.83 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 -1.65 3.11 0.59 3.52 2.12 -1.02 -4.91 118.70 120.46 2k5e s GLU 41 Ca 0.27 -0.48 -0.18 0.00 0.36 0.00 0.00 54.97 54.94 2k5e s GLU 41 Cb 0.16 -2.88 -0.04 0.00 0.26 0.00 0.00 34.13 31.64 2k5e s GLU 41 CO 0.14 0.64 1.15 -1.54 -0.54 0.00 0.00 175.26 175.11 2k5e s SER 42 N -1.83 5.39 0.22 -1.70 1.04 -1.26 -1.80 113.70 113.76 2k5e s SER 42 Ca 0.24 2.20 -0.08 0.00 0.48 0.00 0.00 55.95 58.79 2k5e s SER 42 Cb -0.12 -2.58 0.34 0.00 0.10 0.00 0.00 66.02 63.76 2k5e s SER 42 CO 0.15 -1.45 1.73 -0.07 0.98 0.00 0.00 173.24 174.59 2k5e h LEU 43 N 0.80 0.18 -0.46 2.42 3.38 -0.74 -2.48 115.31 118.41 2k5e h LEU 43 Ca -0.49 0.10 -0.03 0.00 0.09 0.00 0.00 57.88 57.55 2k5e h LEU 43 Cb 1.27 0.10 -0.02 0.00 0.09 0.00 0.00 40.66 42.09 2k5e h LEU 43 CO 0.55 0.09 0.17 -0.08 0.09 0.00 0.00 178.44 179.27 2k5e h GLU 44 N 0.38 0.70 0.17 1.13 4.81 -1.75 0.49 114.58 120.51 2k5e h GLU 44 Ca 0.35 -0.14 -0.01 0.00 -0.13 0.00 0.00 59.36 59.43 2k5e h GLU 44 Cb 0.49 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 29.76 2k5e h GLU 44 CO -0.37 0.65 -0.08 1.96 -0.73 0.00 0.00 179.01 180.44 2k5e h GLN 45 N 0.61 -0.22 -0.57 1.92 4.20 -1.73 -0.76 115.11 118.55 2k5e h GLN 45 Ca 0.15 0.02 -0.03 0.00 0.06 0.00 0.00 58.65 58.84 2k5e h GLN 45 Cb 0.22 0.05 -0.03 0.00 0.30 0.00 0.00 27.48 28.02 2k5e h GLN 45 CO -0.01 -0.14 0.21 0.78 -0.67 0.00 0.00 178.83 179.01 2k5e h GLY 46 N -0.24 0.90 1.00 3.46 0.00 -1.39 0.24 103.07 107.04 2k5e h GLY 46 Ca -0.02 -0.46 -0.02 0.00 0.00 0.00 0.00 47.33 46.83 2k5e h GLY 46 CO 0.04 0.44 -0.19 0.00 0.00 0.00 0.00 176.54 176.83 2k5e h ALA 47 N 1.41 -0.53 -0.31 3.60 0.00 -0.61 -1.79 119.26 121.03 2k5e h ALA 47 Ca 0.19 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 2k5e h ALA 47 Cb 0.18 0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 2k5e h ALA 47 CO -0.02 -0.79 0.02 -0.91 0.00 0.00 0.00 179.25 177.55 2k5e h ASN 48 N -0.53 0.43 0.02 0.00 2.35 -1.01 0.33 115.58 117.17 2k5e h ASN 48 Ca -0.05 -0.07 -0.00 0.00 -0.55 0.00 0.00 56.30 55.63 2k5e h ASN 48 Cb 0.41 -0.11 -0.00 0.00 0.05 0.00 0.00 38.32 38.67 2k5e h ASN 48 CO 0.09 0.48 -0.01 0.00 -1.65 0.00 0.00 177.43 176.34 2k5e h ALA 49 N 1.58 1.83 -0.02 -0.83 0.00 -0.66 -1.26 119.26 119.90 2k5e h ALA 49 Ca 0.10 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.00 2k5e h ALA 49 Cb 0.27 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.05 2k5e h ALA 49 CO 0.01 0.02 -0.11 0.72 0.00 0.00 0.00 179.25 179.88 2k5e n HIS 50 N -4.31 0.00 -1.98 0.00 8.25 -0.58 -5.02 115.22 111.58 2k5e n HIS 50 Ca -0.03 0.00 -0.03 0.00 -0.26 0.00 0.00 57.72 57.40 2k5e n HIS 50 Cb 0.10 0.00 0.02 0.00 1.12 0.00 0.00 29.99 31.22 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 1.15 0.43 3.32 -1.41 0.00 0.95 -5.07 105.19 104.55 2k5e n GLY 51 Ca 0.10 -0.17 -0.17 0.00 0.00 0.00 0.00 46.02 45.79 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 -3.35 2.16 -0.39 0.99 1.43 0.13 -4.96 118.68 114.67 2k5e s LEU 52 Ca 0.07 -1.22 -0.18 0.00 -1.03 0.00 0.00 54.13 51.77 2k5e s LEU 52 Cb -0.01 -0.23 0.01 0.00 0.03 0.00 0.00 46.19 45.99 2k5e s LEU 52 CO 0.16 -0.53 0.51 0.21 0.23 0.00 0.00 176.35 176.93 2k5e s ASN 53 N -3.29 6.27 0.38 2.29 3.84 -1.26 -4.15 114.94 119.02 2k5e s ASN 53 Ca 0.28 -0.33 0.06 0.00 0.21 0.00 0.00 52.86 53.08 2k5e s ASN 53 Cb 0.06 -2.26 0.78 0.00 -0.55 0.00 0.00 41.25 39.28 2k5e s ASN 53 CO 0.08 -0.58 2.01 1.62 -2.79 0.00 0.00 177.10 177.45 2k5e h VAL 54 N 5.71 1.08 -0.44 -5.21 3.04 -1.92 -2.54 116.25 115.97 2k5e h VAL 54 Ca -0.27 -0.23 -0.01 0.00 -1.01 0.00 0.00 66.70 65.18 2k5e h VAL 54 Cb 1.11 0.34 -0.02 0.00 -2.01 0.00 0.00 31.29 30.71 2k5e h VAL 54 CO 0.80 0.12 0.25 -0.33 -1.01 0.00 0.00 177.57 177.41 2k5e h GLU 55 N 0.68 0.61 -0.50 4.17 5.08 -1.99 0.41 114.58 123.05 2k5e h GLU 55 Ca 0.23 -0.07 -0.03 0.00 -1.00 0.00 0.00 59.36 58.49 2k5e h GLU 55 Cb 0.07 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.17 2k5e h GLU 55 CO -0.06 0.48 0.18 0.22 -1.00 0.00 0.00 179.01 178.83 2k5e h ASP 56 N 0.57 0.66 0.07 1.42 1.82 -1.89 -0.54 116.42 118.53 2k5e h ASP 56 Ca 0.16 -0.08 -0.00 0.00 -0.39 0.00 0.00 57.03 56.71 2k5e h ASP 56 Cb 0.04 -0.17 0.00 0.00 0.68 0.00 0.00 39.33 39.88 2k5e h ASP 56 CO -0.03 0.61 -0.04 0.40 -1.61 0.00 0.00 179.24 178.57 2k5e h ILE 57 N 0.71 1.14 -0.59 2.25 2.04 -1.21 -3.10 117.51 118.75 2k5e h ILE 57 Ca 0.17 -0.79 0.11 0.00 1.00 0.00 0.00 64.86 65.35 2k5e h ILE 57 Cb 0.17 1.66 -0.03 0.00 -0.74 0.00 0.00 36.82 37.87 2k5e h ILE 57 CO -0.01 0.20 0.40 -0.07 0.00 0.00 0.00 178.15 178.66 2k5e h LEU 58 N -0.46 0.29 -0.16 1.44 3.38 -0.62 -0.97 115.31 118.21 2k5e h LEU 58 Ca -0.01 0.01 0.05 0.00 0.09 0.00 0.00 57.88 58.02 2k5e h LEU 58 Cb 0.40 -0.05 -0.07 0.00 0.09 0.00 0.00 40.66 41.03 2k5e h LEU 58 CO 0.02 0.17 -0.30 -0.09 0.09 0.00 0.00 178.44 178.33 2k5e h ARG 59 N 0.32 -0.34 -0.23 1.13 2.43 -1.03 -0.59 114.38 116.08 2k5e h ARG 59 Ca 0.28 0.02 -0.12 0.00 -0.81 0.00 0.00 59.98 59.35 2k5e h ARG 59 Cb 0.65 0.08 -0.00 0.00 -0.42 0.00 0.00 29.97 30.27 2k5e h ARG 59 CO -0.07 -0.23 -0.34 0.22 -1.51 0.00 0.00 179.97 178.05 2k5e h ASP 60 N -0.35 0.69 -0.07 -3.80 1.82 -1.27 -2.18 116.42 111.26 2k5e h ASP 60 Ca 0.11 -0.52 0.03 0.00 -0.39 0.00 0.00 57.03 56.26 2k5e h ASP 60 Cb 0.52 -0.20 -0.03 0.00 0.68 0.00 0.00 39.33 40.30 2k5e h ASP 60 CO -0.36 1.07 -0.11 -0.07 -1.61 0.00 0.00 179.24 178.16 2k5e h LEU 61 N 0.33 -0.32 -1.21 2.28 3.38 -1.09 -1.01 115.31 117.67 2k5e h LEU 61 Ca 0.02 0.06 -0.07 0.00 0.09 0.00 0.00 57.88 57.98 2k5e h LEU 61 Cb 0.92 0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.81 2k5e h LEU 61 CO 0.08 -0.15 -0.32 0.78 0.09 0.00 0.00 178.44 178.92 2k5e h ASN 62 N -0.15 0.00 0.28 -0.43 2.35 -1.18 -2.28 115.58 114.18 2k5e h ASN 62 Ca 0.06 0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 55.77 2k5e h ASN 62 Cb 0.24 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.60 2k5e h ASN 62 CO -0.15 0.32 -0.20 0.00 -1.65 0.00 0.00 177.43 175.75 2k5e h ALA 63 N 1.68 1.50 0.00 -0.83 0.00 -0.63 -0.23 119.26 120.74 2k5e h ALA 63 Ca -0.00 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.69 2k5e h ALA 63 Cb 0.73 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.48 2k5e h ALA 63 CO 0.04 0.25 -0.17 -0.07 0.00 0.00 0.00 179.25 179.31 2k5e h LEU 64 N 0.00 0.00 0.04 0.00 3.38 -0.60 0.33 115.31 118.45 2k5e h LEU 64 Ca -0.00 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 57.74 2k5e h LEU 64 Cb 0.40 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.12 2k5e h LEU 64 CO 0.03 0.17 -1.25 0.00 0.09 0.00 0.00 178.44 177.48 2k5e h ALA 65 N 1.83 0.24 -0.12 1.53 0.00 -1.33 -3.38 119.26 118.02 2k5e h ALA 65 Ca -0.00 -1.14 -0.15 0.00 0.00 0.00 0.00 54.91 53.63 2k5e h ALA 65 Cb 0.32 0.61 -0.01 0.00 0.00 0.00 0.00 17.79 18.72 2k5e h ALA 65 CO 0.02 0.73 -0.55 -0.07 0.00 0.00 0.00 179.25 179.38 2k5e h LEU 66 N -0.74 0.41 0.41 0.00 3.38 -1.09 -3.47 115.31 114.21 2k5e h LEU 66 Ca -0.31 -0.22 -0.40 0.00 0.09 0.00 0.00 57.88 57.04 2k5e h LEU 66 Cb 1.45 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 42.05 2k5e h LEU 66 CO -0.10 0.88 -0.60 -0.62 0.09 0.00 0.00 178.44 178.08 2k5e n GLU 67 N -3.93 -4.23 -2.59 1.13 1.02 0.11 -4.90 120.64 107.25 2k5e n GLU 67 Ca -0.03 0.62 -0.42 0.00 -0.02 0.00 0.00 57.16 57.32 2k5e n GLU 67 Cb 0.59 -5.41 -0.02 0.00 -0.02 0.00 0.00 31.44 26.57 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 -3.07 2.64 -0.24 -0.32 3.76 -1.26 -4.95 115.29 111.85 2k5e s HIS 68 Ca 0.42 -1.08 0.02 0.00 -0.15 0.00 0.00 55.06 54.27 2k5e s HIS 68 Cb -0.21 -4.69 0.05 0.00 1.11 0.00 0.00 32.58 28.84 2k5e s HIS 68 CO 0.51 -1.88 -0.13 -1.01 -0.85 0.00 0.00 174.74 171.38 2k5e s HIS 69 N 4.62 3.14 -0.07 1.40 3.76 -1.26 -4.97 115.29 121.90 2k5e s HIS 69 Ca 0.47 -2.14 0.24 0.00 -0.15 0.00 0.00 55.06 53.49 2k5e s HIS 69 Cb 0.01 -1.93 0.45 0.00 1.11 0.00 0.00 32.58 32.22 2k5e s HIS 69 CO -0.05 -0.86 1.16 0.72 -0.85 0.00 0.00 174.74 174.86 2k5e n HIS 70 N 4.48 0.33 -3.88 1.40 8.25 -1.26 -5.04 115.22 119.51 2k5e n HIS 70 Ca -0.16 -0.95 -0.17 0.00 -0.26 0.00 0.00 57.72 56.18 2k5e n HIS 70 Cb 0.44 -0.18 -0.16 0.00 1.12 0.00 0.00 29.99 31.21 2k5e n HIS 70 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 2k5e s HIS 71 N -1.09 0.24 -0.70 4.41 3.76 -1.26 -5.10 115.29 115.55 2k5e s HIS 71 Ca 0.33 0.04 -0.26 0.00 -0.15 0.00 0.00 55.06 55.01 2k5e s HIS 71 Cb 0.37 -0.38 -0.00 0.00 1.11 0.00 0.00 32.58 33.69 2k5e s HIS 71 CO -0.13 -0.13 1.65 -1.58 -0.85 0.00 0.00 174.74 173.70 2k5e s HIS 72 N 1.09 1.93 -2.00 1.40 2.46 -1.26 -5.28 115.29 113.63 2k5e s HIS 72 Ca -0.09 0.41 0.16 0.00 0.47 0.00 0.00 55.06 56.00 2k5e s HIS 72 Cb -0.13 -4.30 0.93 0.00 -0.13 0.00 0.00 32.58 28.94 2k5e s HIS 72 CO -0.02 -2.17 1.34 1.58 -2.47 0.00 0.00 174.74 173.00