#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 2.31 0.45 1.12 -1.32 -1.26 -5.15 115.64 111.80 2k5e s THR 2 Ca 0.00 -1.74 -0.01 0.00 -1.21 0.00 0.00 61.69 58.73 2k5e s THR 2 Cb 0.00 -2.03 -0.01 0.00 -1.51 0.00 0.00 72.50 68.95 2k5e s THR 2 CO 0.00 0.09 0.69 -1.10 -2.21 0.00 0.00 174.62 172.09 2k5e s GLN 3 N -2.07 3.18 0.30 7.08 -0.21 -1.26 -5.01 119.66 121.67 2k5e s GLN 3 Ca 0.14 -0.31 0.05 0.00 0.02 0.00 0.00 55.36 55.26 2k5e s GLN 3 Cb -0.10 -2.51 0.47 0.00 1.00 0.00 0.00 33.01 31.87 2k5e s GLN 3 CO 0.06 -0.25 1.74 0.87 -2.12 0.00 0.00 175.29 175.59 2k5e h LYS 4 N 0.36 0.35 -4.93 2.91 1.79 -1.99 -3.40 116.57 111.66 2k5e h LYS 4 Ca -0.47 -0.14 -0.65 0.00 -2.18 0.00 0.00 60.65 57.22 2k5e h LYS 4 Cb 1.24 -0.02 -0.35 0.00 -1.58 0.00 0.00 32.23 31.52 2k5e h LYS 4 CO 0.59 0.62 -0.85 -0.06 -1.08 0.00 0.00 179.45 178.67 2k5e s PHE 5 N -4.38 2.59 0.40 -1.35 0.08 -1.26 -5.07 117.98 108.99 2k5e s PHE 5 Ca -0.06 -1.53 0.07 0.00 0.12 0.00 0.00 56.93 55.53 2k5e s PHE 5 Cb 0.14 -1.82 -0.08 0.00 -0.57 0.00 0.00 43.02 40.69 2k5e s PHE 5 CO 0.78 -0.77 0.02 -0.08 -0.10 0.00 0.00 175.22 175.06 2k5e s THR 6 N 1.35 1.89 -0.29 0.64 -1.32 -1.26 -4.86 115.64 111.79 2k5e s THR 6 Ca 0.05 -2.00 0.28 0.00 -1.21 0.00 0.00 61.69 58.80 2k5e s THR 6 Cb -0.13 -2.97 0.32 0.00 -1.51 0.00 0.00 72.50 68.21 2k5e s THR 6 CO -0.12 0.00 1.81 0.07 -2.21 0.00 0.00 174.62 174.17 2k5e h LYS 7 N 1.81 0.00 0.16 7.08 2.10 -1.97 -3.25 116.57 122.50 2k5e h LYS 7 Ca -0.44 0.00 -0.30 0.00 -2.00 0.00 0.00 60.65 57.91 2k5e h LYS 7 Cb 1.24 0.00 0.01 0.00 -0.90 0.00 0.00 32.23 32.58 2k5e h LYS 7 CO 0.80 0.00 -1.41 0.22 -2.00 0.00 0.00 179.45 177.06 2k5e h ASP 8 N 0.00 0.52 -4.14 7.07 3.58 -1.96 -2.69 116.42 118.80 2k5e h ASP 8 Ca 0.00 -0.60 -0.51 0.00 0.42 0.00 0.00 57.03 56.33 2k5e h ASP 8 Cb 0.59 -0.17 0.10 0.00 1.72 0.00 0.00 39.33 41.57 2k5e h ASP 8 CO 0.00 1.48 0.42 0.00 -2.88 0.00 0.00 179.24 178.26 2k5e s MET 9 N -2.63 2.94 0.54 0.28 0.23 -1.23 -4.64 119.30 114.79 2k5e s MET 9 Ca -0.07 1.61 -0.06 0.00 -1.03 0.00 0.00 55.69 56.14 2k5e s MET 9 Cb 0.06 -1.95 -0.02 0.00 -1.53 0.00 0.00 34.83 31.40 2k5e s MET 9 CO 0.89 -1.18 0.86 0.95 -2.03 0.00 0.00 175.02 174.50 2k5e s THR 10 N -1.93 4.35 0.22 3.16 -4.23 -1.26 -0.77 115.64 115.17 2k5e s THR 10 Ca 0.72 0.17 -0.08 0.00 -1.18 0.00 0.00 61.69 61.32 2k5e s THR 10 Cb -0.25 -3.69 0.16 0.00 1.34 0.00 0.00 72.50 70.06 2k5e s THR 10 CO 0.35 -0.71 1.84 -0.26 -0.54 0.00 0.00 174.62 175.30 2k5e h PHE 11 N 0.01 0.82 -0.40 3.99 0.04 -1.51 -1.68 116.94 118.21 2k5e h PHE 11 Ca -0.46 0.02 0.04 0.00 2.80 0.00 0.00 57.97 60.37 2k5e h PHE 11 Cb 1.23 -0.26 -0.04 0.00 2.20 0.00 0.00 35.95 39.08 2k5e h PHE 11 CO 0.54 0.43 0.18 0.00 -0.60 0.00 0.00 178.31 178.86 2k5e h ALA 12 N 1.34 0.49 0.03 2.45 0.00 -1.77 0.06 119.26 121.86 2k5e h ALA 12 Ca 0.31 0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.26 2k5e h ALA 12 Cb 0.12 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 2k5e h ALA 12 CO -0.15 -0.19 -0.07 1.96 0.00 0.00 0.00 179.25 180.80 2k5e h GLN 13 N 0.37 -0.12 -0.44 0.00 4.20 -1.73 -2.52 115.11 114.87 2k5e h GLN 13 Ca 0.17 0.01 0.05 0.00 0.06 0.00 0.00 58.65 58.94 2k5e h GLN 13 Cb 0.10 0.03 -0.05 0.00 0.30 0.00 0.00 27.48 27.86 2k5e h GLN 13 CO -0.14 -0.08 0.16 0.00 -0.67 0.00 0.00 178.83 178.10 2k5e h ALA 14 N 0.84 0.52 -0.60 3.87 0.00 -0.96 0.35 119.26 123.28 2k5e h ALA 14 Ca 0.02 0.05 0.07 0.00 0.00 0.00 0.00 54.91 55.04 2k5e h ALA 14 Cb 0.15 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.92 2k5e h ALA 14 CO -0.05 -0.23 0.40 -0.07 0.00 0.00 0.00 179.25 179.30 2k5e h LEU 15 N 0.33 0.49 -0.72 0.00 3.38 -0.84 -1.36 115.31 116.59 2k5e h LEU 15 Ca 0.20 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.18 2k5e h LEU 15 Cb 0.19 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.84 2k5e h LEU 15 CO -0.20 0.32 -0.33 0.00 0.09 0.00 0.00 178.44 178.31 2k5e n GLN 16 N -4.48 1.02 -0.06 1.13 1.13 -0.79 -4.24 117.38 111.09 2k5e n GLN 16 Ca 0.09 -0.72 -0.10 0.00 -1.94 0.00 0.00 57.00 54.33 2k5e n GLN 16 Cb 0.26 -1.49 -0.09 0.00 0.11 0.00 0.00 30.24 29.03 2k5e n GLN 16 CO 0.00 0.00 0.00 1.15 -1.44 0.00 0.00 177.06 176.77 2k5e h THR 17 N 1.75 1.29 -3.64 5.09 2.02 0.21 -3.47 112.91 116.15 2k5e h THR 17 Ca 0.00 -1.93 -0.28 0.00 0.77 0.00 0.00 66.41 64.97 2k5e h THR 17 Cb 0.61 2.41 -0.31 0.00 -1.74 0.00 0.00 68.15 69.12 2k5e h THR 17 CO 0.00 0.43 -0.73 -1.00 0.37 0.00 0.00 175.52 174.59 2k5e s HIS 18 N -2.12 0.10 0.39 3.16 3.76 -1.10 -5.06 115.29 114.43 2k5e s HIS 18 Ca -0.14 0.04 0.05 0.00 -0.15 0.00 0.00 55.06 54.86 2k5e s HIS 18 Cb -0.02 -0.17 0.78 0.00 1.11 0.00 0.00 32.58 34.28 2k5e s HIS 18 CO 0.50 -0.05 2.04 -1.00 -0.85 0.00 0.00 174.74 175.38 2k5e h PRO 19 N 6.71 0.64 0.00 8.40 0.13 -1.88 -2.38 132.00 143.63 2k5e h PRO 19 Ca -0.35 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.74 2k5e h PRO 19 Cb 1.17 -0.15 0.00 0.00 0.13 0.00 0.00 31.00 32.15 2k5e h PRO 19 CO 0.49 0.43 0.00 0.78 -0.23 0.00 0.00 178.00 179.47 2k5e h GLY 20 N 0.66 0.00 0.83 1.56 0.00 -1.95 -3.07 103.07 101.10 2k5e h GLY 20 Ca 0.18 0.00 0.04 0.00 0.00 0.00 0.00 47.33 47.56 2k5e h GLY 20 CO -0.04 0.00 0.59 -2.08 0.00 0.00 0.00 176.54 175.01 2k5e h VAL 21 N 0.00 1.13 -0.06 4.60 2.07 -1.74 -2.78 116.25 119.47 2k5e h VAL 21 Ca 0.00 -0.39 0.04 0.00 0.82 0.00 0.00 66.70 67.17 2k5e h VAL 21 Cb 0.25 -0.10 -0.06 0.00 -1.52 0.00 0.00 31.29 29.86 2k5e h VAL 21 CO 0.00 0.21 -0.35 0.00 0.02 0.00 0.00 177.57 177.45 2k5e h ALA 22 N 1.39 -0.48 -0.95 1.67 0.00 -1.74 0.47 119.26 119.63 2k5e h ALA 22 Ca 0.38 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.30 2k5e h ALA 22 Cb 0.05 0.64 -0.05 0.00 0.00 0.00 0.00 17.79 18.43 2k5e h ALA 22 CO -0.14 -0.85 0.62 0.78 0.00 0.00 0.00 179.25 179.67 2k5e h GLY 23 N -0.47 1.35 0.93 0.00 0.00 -1.73 -1.48 103.07 101.67 2k5e h GLY 23 Ca 0.07 -0.48 -0.01 0.00 0.00 0.00 0.00 47.33 46.91 2k5e h GLY 23 CO -0.32 0.44 0.13 -2.08 0.00 0.00 0.00 176.54 174.71 2k5e h VAL 24 N 1.23 1.15 -0.41 4.60 2.07 -1.12 0.23 116.25 124.01 2k5e h VAL 24 Ca 0.36 -0.42 0.03 0.00 0.82 0.00 0.00 66.70 67.49 2k5e h VAL 24 Cb -0.06 0.93 -0.03 0.00 -1.52 0.00 0.00 31.29 30.60 2k5e h VAL 24 CO -0.10 0.15 0.20 -0.07 0.02 0.00 0.00 177.57 177.78 2k5e h LEU 25 N 0.31 0.30 -1.60 2.57 3.38 -0.55 -1.53 115.31 118.19 2k5e h LEU 25 Ca 0.09 0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.06 2k5e h LEU 25 Cb 0.12 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 2k5e h LEU 25 CO -0.01 0.22 0.01 0.03 0.09 0.00 0.00 178.44 178.77 2k5e h ARG 26 N 0.41 0.26 -0.10 1.13 3.08 -1.07 0.21 114.38 118.29 2k5e h ARG 26 Ca 0.17 -0.03 -0.02 0.00 0.07 0.00 0.00 59.98 60.17 2k5e h ARG 26 Cb 0.08 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.07 2k5e h ARG 26 CO -0.12 0.28 -0.04 1.03 -1.07 0.00 0.00 179.97 180.05 2k5e h SER 27 N 0.25 0.13 -0.54 7.04 0.87 0.06 -1.14 113.55 120.23 2k5e h SER 27 Ca 0.06 -0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.61 2k5e h SER 27 Cb 0.17 -0.03 0.00 0.00 -0.44 0.00 0.00 62.40 62.09 2k5e h SER 27 CO 0.00 0.20 0.00 -1.22 -0.53 0.00 0.00 176.83 175.28 2k5e n TYR 28 N -4.40 1.31 -2.99 2.24 4.01 -0.42 -4.93 117.16 111.98 2k5e n TYR 28 Ca -0.01 -0.51 -0.20 0.00 -0.16 0.00 0.00 57.90 57.02 2k5e n TYR 28 Cb 0.17 -0.24 0.04 0.00 -0.31 0.00 0.00 39.34 39.00 2k5e n TYR 28 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 2k5e n ASN 29 N 0.86 -5.61 -1.28 7.72 5.15 -0.43 -4.90 115.26 116.76 2k5e n ASN 29 Ca 0.22 -0.28 0.10 0.00 -0.60 0.00 0.00 54.58 54.02 2k5e n ASN 29 Cb 0.80 -4.42 0.30 0.00 -0.53 0.00 0.00 39.78 35.93 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 -3.67 4.03 0.28 1.20 4.77 0.60 -4.58 117.00 119.63 2k5e n LEU 30 Ca -0.09 -2.18 0.16 0.00 -0.03 0.00 0.00 56.01 53.87 2k5e n LEU 30 Cb 0.60 -0.47 0.83 0.00 -2.33 0.00 0.00 43.42 42.04 2k5e n LEU 30 CO 0.43 0.88 1.03 1.23 -1.33 0.00 0.00 177.39 179.63 2k5e h GLY 31 N 3.72 0.00 1.02 -0.72 0.00 -1.84 -2.55 103.07 102.71 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 0.08 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.62 2k5e h ILE 33 N 0.00 0.44 0.00 0.00 3.07 -1.83 0.44 117.51 119.64 2k5e h ILE 33 Ca 0.00 0.00 -0.00 0.00 1.55 0.00 0.00 64.86 66.41 2k5e h ILE 33 Cb 0.01 0.62 0.00 0.00 -0.27 0.00 0.00 36.82 37.17 2k5e h ILE 33 CO 0.00 0.00 -0.00 1.23 -1.05 0.00 0.00 178.15 178.33 2k5e h GLY 34 N 0.00 -0.01 0.96 0.16 0.00 -1.86 0.14 103.07 102.46 2k5e h GLY 34 Ca 0.26 0.00 -0.09 0.00 0.00 0.00 0.00 47.33 47.50 2k5e h GLY 34 CO -0.00 -0.00 -0.14 0.00 0.00 0.00 0.00 176.54 176.40 2k5e n MET 36 N -4.35 0.96 -2.23 0.00 0.00 -0.04 -4.90 117.12 106.57 2k5e n MET 36 Ca -0.02 0.00 -0.19 0.00 0.00 0.00 0.00 57.70 57.49 2k5e n MET 36 Cb 0.38 -1.47 -0.02 0.00 0.00 0.00 0.00 33.22 32.11 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 0.90 -0.05 0.37 3.17 0.00 -0.90 -4.86 105.19 103.83 2k5e n GLY 37 Ca 0.22 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 46.15 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 -1.39 2.41 0.23 4.61 0.00 0.44 -3.91 120.51 122.91 2k5e n ALA 38 Ca -0.22 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.29 2k5e n ALA 38 Cb 0.67 -1.00 0.55 0.00 0.00 0.00 0.00 19.45 19.66 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 0.05 0.00 -0.00 0.00 1.08 -1.90 -2.13 115.11 112.21 2k5e h GLN 39 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 2k5e h GLN 39 Cb 0.35 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.78 2k5e h GLN 39 CO 0.00 0.21 -0.45 0.09 -0.95 0.00 0.00 178.83 177.73 2k5e n ASN 40 N -3.98 0.86 -4.88 1.46 3.02 -1.25 -2.65 115.26 107.84 2k5e n ASN 40 Ca -0.02 -0.66 -0.33 0.00 -0.03 0.00 0.00 54.58 53.54 2k5e n ASN 40 Cb 0.29 0.29 -0.05 0.00 -0.61 0.00 0.00 39.78 39.70 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 -2.76 3.74 0.57 3.52 2.12 -0.80 -4.91 118.70 120.18 2k5e s GLU 41 Ca 0.17 0.14 -0.16 0.00 0.36 0.00 0.00 54.97 55.48 2k5e s GLU 41 Cb 0.18 -2.81 -0.05 0.00 0.26 0.00 0.00 34.13 31.71 2k5e s GLU 41 CO 0.63 0.43 1.03 -1.54 -0.54 0.00 0.00 175.26 175.27 2k5e s SER 42 N -2.22 6.11 0.27 -1.70 1.04 -1.26 -1.88 113.70 114.07 2k5e s SER 42 Ca 0.42 1.70 0.00 0.00 0.48 0.00 0.00 55.95 58.55 2k5e s SER 42 Cb -0.12 -2.52 0.54 0.00 0.10 0.00 0.00 66.02 64.02 2k5e s SER 42 CO 0.22 -0.94 1.82 -0.07 0.98 0.00 0.00 173.24 175.24 2k5e h LEU 43 N 0.55 0.82 -0.03 2.42 3.38 -1.03 -0.92 115.31 120.50 2k5e h LEU 43 Ca -0.47 0.06 -0.00 0.00 0.09 0.00 0.00 57.88 57.56 2k5e h LEU 43 Cb 1.20 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 41.85 2k5e h LEU 43 CO 0.59 0.42 0.00 -0.08 0.09 0.00 0.00 178.44 179.46 2k5e h GLU 44 N 0.89 0.05 -0.45 1.13 4.81 -1.75 -0.05 114.58 119.20 2k5e h GLU 44 Ca 0.48 -0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.70 2k5e h GLU 44 Cb 0.53 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.88 2k5e h GLU 44 CO -0.29 0.30 0.28 1.96 -0.73 0.00 0.00 179.01 180.53 2k5e h GLN 45 N -0.20 0.61 -0.57 1.92 4.20 -1.71 -0.96 115.11 118.40 2k5e h GLN 45 Ca 0.01 -0.05 -0.02 0.00 0.06 0.00 0.00 58.65 58.64 2k5e h GLN 45 Cb 0.27 -0.13 -0.03 0.00 0.30 0.00 0.00 27.48 27.89 2k5e h GLN 45 CO 0.00 0.44 0.25 0.78 -0.67 0.00 0.00 178.83 179.64 2k5e h GLY 46 N 0.61 0.87 1.00 3.46 0.00 -1.17 -1.17 103.07 106.66 2k5e h GLY 46 Ca 0.16 -0.41 -0.02 0.00 0.00 0.00 0.00 47.33 47.06 2k5e h GLY 46 CO -0.03 0.40 -0.19 0.00 0.00 0.00 0.00 176.54 176.72 2k5e h ALA 47 N 1.48 -0.53 -0.88 3.60 0.00 -0.30 -0.20 119.26 122.44 2k5e h ALA 47 Ca 0.20 -0.12 0.09 0.00 0.00 0.00 0.00 54.91 55.08 2k5e h ALA 47 Cb 0.12 0.20 -0.07 0.00 0.00 0.00 0.00 17.79 18.04 2k5e h ALA 47 CO -0.02 -0.79 0.53 -0.91 0.00 0.00 0.00 179.25 178.05 2k5e h ASN 48 N -0.53 0.79 -0.67 0.00 2.35 -1.03 0.18 115.58 116.66 2k5e h ASN 48 Ca -0.05 0.04 -0.02 0.00 -0.55 0.00 0.00 56.30 55.71 2k5e h ASN 48 Cb 0.41 -0.12 -0.03 0.00 0.05 0.00 0.00 38.32 38.62 2k5e h ASN 48 CO 0.09 0.46 0.35 0.00 -1.65 0.00 0.00 177.43 176.68 2k5e h ALA 49 N 1.45 0.86 -0.31 -0.83 0.00 -0.98 -2.69 119.26 116.77 2k5e h ALA 49 Ca 0.41 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.20 2k5e h ALA 49 Cb 0.31 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.84 2k5e h ALA 49 CO -0.22 0.40 0.00 0.72 0.00 0.00 0.00 179.25 180.14 2k5e n HIS 50 N -4.49 0.41 -3.14 0.00 8.25 -0.11 -4.95 115.22 111.18 2k5e n HIS 50 Ca 0.05 -0.20 -0.14 0.00 -0.26 0.00 0.00 57.72 57.17 2k5e n HIS 50 Cb 0.11 0.00 0.07 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 1.14 -0.27 3.50 -1.41 0.00 0.14 -5.04 105.19 103.25 2k5e n GLY 51 Ca 0.15 0.04 -0.23 0.00 0.00 0.00 0.00 46.02 45.97 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 -5.50 2.24 -0.40 0.99 1.43 0.39 -5.01 118.68 112.82 2k5e s LEU 52 Ca 0.04 -1.43 -0.14 0.00 -1.03 0.00 0.00 54.13 51.57 2k5e s LEU 52 Cb -0.01 -0.42 0.02 0.00 0.03 0.00 0.00 46.19 45.81 2k5e s LEU 52 CO 0.60 -0.65 0.27 0.21 0.23 0.00 0.00 176.35 177.02 2k5e s ASN 53 N -3.55 6.02 0.36 2.29 3.84 -1.26 -4.30 114.94 118.34 2k5e s ASN 53 Ca 0.33 -0.88 0.06 0.00 0.21 0.00 0.00 52.86 52.58 2k5e s ASN 53 Cb 0.08 -2.13 0.76 0.00 -0.55 0.00 0.00 41.25 39.41 2k5e s ASN 53 CO 0.15 -0.42 1.95 1.62 -2.79 0.00 0.00 177.10 177.61 2k5e h VAL 54 N 5.67 1.00 -0.58 -5.21 3.04 -1.90 -1.45 116.25 116.83 2k5e h VAL 54 Ca -0.27 -0.25 -0.05 0.00 -1.01 0.00 0.00 66.70 65.12 2k5e h VAL 54 Cb 1.12 0.20 -0.03 0.00 -2.01 0.00 0.00 31.29 30.58 2k5e h VAL 54 CO 0.71 0.13 0.16 -0.33 -1.01 0.00 0.00 177.57 177.24 2k5e h GLU 55 N 0.74 0.89 -0.05 4.17 5.08 -1.99 0.40 114.58 123.81 2k5e h GLU 55 Ca 0.32 -0.18 -0.24 0.00 -1.00 0.00 0.00 59.36 58.27 2k5e h GLU 55 Cb 0.30 -0.14 0.01 0.00 0.50 0.00 0.00 28.75 29.43 2k5e h GLU 55 CO -0.11 0.78 -0.92 0.22 -1.00 0.00 0.00 179.01 177.98 2k5e h ASP 56 N 0.86 0.80 0.02 1.42 1.82 -1.75 -1.87 116.42 117.72 2k5e h ASP 56 Ca 0.19 -0.60 -0.00 0.00 -0.39 0.00 0.00 57.03 56.23 2k5e h ASP 56 Cb 0.28 -0.24 0.00 0.00 0.68 0.00 0.00 39.33 40.04 2k5e h ASP 56 CO -0.01 1.39 -0.01 0.40 -1.61 0.00 0.00 179.24 179.41 2k5e h ILE 57 N 0.39 1.03 -0.51 2.25 2.04 -1.05 -2.58 117.51 119.08 2k5e h ILE 57 Ca -0.09 -0.14 0.05 0.00 1.00 0.00 0.00 64.86 65.68 2k5e h ILE 57 Cb 1.55 1.12 -0.03 0.00 -0.74 0.00 0.00 36.82 38.72 2k5e h ILE 57 CO 0.18 0.04 0.34 -0.07 0.00 0.00 0.00 178.15 178.63 2k5e h LEU 58 N -0.09 0.43 -0.26 1.44 3.38 -0.95 -1.34 115.31 117.92 2k5e h LEU 58 Ca -0.00 -0.00 0.05 0.00 0.09 0.00 0.00 57.88 58.02 2k5e h LEU 58 Cb 0.08 -0.10 -0.05 0.00 0.09 0.00 0.00 40.66 40.69 2k5e h LEU 58 CO 0.00 0.29 -0.05 -0.09 0.09 0.00 0.00 178.44 178.68 2k5e h ARG 59 N 0.50 0.01 -0.40 1.13 2.43 -0.94 0.70 114.38 117.81 2k5e h ARG 59 Ca 0.21 -0.00 -0.15 0.00 -0.81 0.00 0.00 59.98 59.23 2k5e h ARG 59 Cb 0.22 -0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.76 2k5e h ARG 59 CO -0.06 0.01 -0.33 0.22 -1.51 0.00 0.00 179.97 178.30 2k5e h ASP 60 N 0.02 0.99 0.17 -3.80 1.82 -1.11 -2.03 116.42 112.47 2k5e h ASP 60 Ca 0.13 -0.45 -0.01 0.00 -0.39 0.00 0.00 57.03 56.31 2k5e h ASP 60 Cb 0.19 -0.28 0.00 0.00 0.68 0.00 0.00 39.33 39.92 2k5e h ASP 60 CO -0.26 1.23 -0.08 -0.07 -1.61 0.00 0.00 179.24 178.45 2k5e h LEU 61 N 0.76 -0.19 -1.56 2.28 3.38 -1.01 -2.80 115.31 116.17 2k5e h LEU 61 Ca 0.07 -0.11 -0.04 0.00 0.09 0.00 0.00 57.88 57.89 2k5e h LEU 61 Cb 0.93 0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.72 2k5e h LEU 61 CO 0.09 -0.01 -0.20 0.78 0.09 0.00 0.00 178.44 179.18 2k5e h ASN 62 N -0.36 0.00 -0.01 -0.43 2.35 -0.92 -1.88 115.58 114.33 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 0.28 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.65 2k5e h ASN 62 CO 0.04 0.20 0.01 0.00 -1.65 0.00 0.00 177.43 176.03 2k5e h ALA 63 N 1.80 1.65 0.00 -0.83 0.00 -1.09 -0.45 119.26 120.34 2k5e h ALA 63 Ca -0.00 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 2k5e h ALA 63 Cb 0.51 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 2k5e h ALA 63 CO 0.03 -0.02 -0.19 -0.07 0.00 0.00 0.00 179.25 178.99 2k5e h LEU 64 N 0.00 0.00 0.05 0.00 3.38 -1.24 0.20 115.31 117.71 2k5e h LEU 64 Ca 0.01 0.00 -0.36 0.00 0.09 0.00 0.00 57.88 57.61 2k5e h LEU 64 Cb 0.04 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.74 2k5e h LEU 64 CO -0.00 0.19 -2.17 0.00 0.09 0.00 0.00 178.44 176.56 2k5e n ALA 65 N -2.34 1.23 -0.06 1.53 0.00 -0.30 -4.57 120.51 115.99 2k5e n ALA 65 Ca -0.02 -0.88 -0.14 0.00 0.00 0.00 0.00 53.44 52.40 2k5e n ALA 65 Cb 0.30 -0.45 -0.13 0.00 0.00 0.00 0.00 19.45 19.17 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 0.03 0.03 0.74 0.00 3.38 -1.19 -3.47 115.31 114.83 2k5e h LEU 66 Ca -0.47 -0.99 -0.26 0.00 0.09 0.00 0.00 57.88 56.25 2k5e h LEU 66 Cb 2.01 -0.01 -0.10 0.00 0.09 0.00 0.00 40.66 42.65 2k5e h LEU 66 CO 0.02 1.02 -0.23 -0.62 0.09 0.00 0.00 178.44 178.72 2k5e n GLU 67 N -4.58 -1.53 -1.73 1.13 1.02 0.71 -4.91 120.64 110.75 2k5e n GLU 67 Ca -0.10 0.84 -0.42 0.00 -0.02 0.00 0.00 57.16 57.46 2k5e n GLU 67 Cb 0.50 -5.11 -0.02 0.00 -0.02 0.00 0.00 31.44 26.80 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 -1.99 2.72 -1.24 -0.32 1.44 -1.26 -4.94 115.22 109.63 2k5e n HIS 68 Ca -0.13 0.27 -0.32 0.00 -2.01 0.00 0.00 57.72 55.54 2k5e n HIS 68 Cb 0.52 -2.58 0.10 0.00 0.12 0.00 0.00 29.99 28.15 2k5e n HIS 68 CO 0.00 0.00 0.00 -1.01 -2.81 0.00 0.00 176.34 172.52 2k5e s HIS 69 N 0.06 2.26 -0.67 -1.40 3.76 -1.26 -4.91 115.29 113.12 2k5e s HIS 69 Ca 0.65 1.62 -0.27 0.00 -0.15 0.00 0.00 55.06 56.92 2k5e s HIS 69 Cb -0.52 -3.22 0.04 0.00 1.11 0.00 0.00 32.58 29.98 2k5e s HIS 69 CO 0.48 -2.17 1.19 -1.01 -0.85 0.00 0.00 174.74 172.38 2k5e s HIS 70 N -2.58 2.46 -0.05 1.40 3.76 -1.26 -4.98 115.29 114.04 2k5e s HIS 70 Ca 0.66 0.02 0.01 0.00 -0.15 0.00 0.00 55.06 55.60 2k5e s HIS 70 Cb -0.21 -4.51 0.02 0.00 1.11 0.00 0.00 32.58 28.99 2k5e s HIS 70 CO 0.52 -1.83 -0.06 -1.01 -0.85 0.00 0.00 174.74 171.50 2k5e s HIS 71 N 5.17 0.95 0.43 1.40 3.76 -1.26 -5.16 115.29 120.58 2k5e s HIS 71 Ca 0.35 -0.31 0.06 0.00 -0.15 0.00 0.00 55.06 55.01 2k5e s HIS 71 Cb -0.09 -0.79 -0.05 0.00 1.11 0.00 0.00 32.58 32.75 2k5e s HIS 71 CO 0.18 -0.23 0.09 -3.38 -0.85 0.00 0.00 174.74 170.54 2k5e s HIS 72 N 0.92 2.40 -1.39 1.40 -3.43 -1.26 -5.27 115.29 108.67 2k5e s HIS 72 Ca -0.11 -0.70 0.11 0.00 -0.80 0.00 0.00 55.06 53.57 2k5e s HIS 72 Cb -0.15 -1.82 0.09 0.00 -1.43 0.00 0.00 32.58 29.27 2k5e s HIS 72 CO 0.00 0.27 0.85 0.72 -2.00 0.00 0.00 174.74 174.59