#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k5e n THR 2 N 0.00 0.00 -5.01 3.17 5.66 -1.26 -5.12 114.28 111.72 2k5e n THR 2 Ca 0.00 -1.78 -0.32 0.00 -3.05 0.00 0.00 64.05 58.90 2k5e n THR 2 Cb 0.00 -0.63 -0.15 0.00 -1.55 0.00 0.00 70.33 68.00 2k5e n THR 2 CO 0.00 0.00 0.00 -1.10 -3.05 0.00 0.00 175.07 170.92 2k5e s GLN 3 N -4.65 3.09 0.60 1.09 -0.21 -1.26 -5.00 119.66 113.31 2k5e s GLN 3 Ca 0.60 -0.79 0.35 0.00 0.02 0.00 0.00 55.36 55.55 2k5e s GLN 3 Cb -0.04 -2.43 1.88 0.00 1.00 0.00 0.00 33.01 33.42 2k5e s GLN 3 CO 0.39 0.25 2.21 0.87 -2.12 0.00 0.00 175.29 176.89 2k5e h LYS 4 N 6.52 0.00 -4.94 2.91 1.57 -1.99 -3.36 116.57 117.27 2k5e h LYS 4 Ca -0.26 0.00 -0.67 0.00 -1.87 0.00 0.00 60.65 57.85 2k5e h LYS 4 Cb 1.21 0.00 -0.35 0.00 0.08 0.00 0.00 32.23 33.17 2k5e h LYS 4 CO 0.51 0.03 -0.81 -0.06 -0.57 0.00 0.00 179.45 178.56 2k5e s PHE 5 N -4.18 3.06 0.29 -1.35 0.08 -1.26 -5.04 117.98 109.59 2k5e s PHE 5 Ca -0.03 -1.93 0.10 0.00 0.12 0.00 0.00 56.93 55.18 2k5e s PHE 5 Cb 0.13 -1.96 -0.06 0.00 -0.57 0.00 0.00 43.02 40.57 2k5e s PHE 5 CO 0.51 -0.82 -0.14 -0.08 -0.10 0.00 0.00 175.22 174.58 2k5e s THR 6 N 1.21 2.20 0.21 0.64 -1.32 -1.26 -4.88 115.64 112.44 2k5e s THR 6 Ca -0.02 -2.28 0.34 0.00 -1.21 0.00 0.00 61.69 58.51 2k5e s THR 6 Cb -0.17 -2.40 0.37 0.00 -1.51 0.00 0.00 72.50 68.80 2k5e s THR 6 CO -0.08 -0.35 2.03 0.07 -2.21 0.00 0.00 174.62 174.08 2k5e h LYS 7 N 2.23 0.00 0.02 7.08 2.10 -1.97 -3.07 116.57 122.97 2k5e h LYS 7 Ca -0.40 0.00 -0.21 0.00 -2.00 0.00 0.00 60.65 58.04 2k5e h LYS 7 Cb 1.25 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 32.56 2k5e h LYS 7 CO 0.64 0.04 -0.95 0.22 -2.00 0.00 0.00 179.45 177.40 2k5e h ASP 8 N 0.00 0.17 -4.31 7.07 3.58 -1.96 -2.98 116.42 117.99 2k5e h ASP 8 Ca -0.00 -0.15 -0.51 0.00 0.42 0.00 0.00 57.03 56.79 2k5e h ASP 8 Cb 0.46 -0.05 0.08 0.00 1.72 0.00 0.00 39.33 41.54 2k5e h ASP 8 CO 0.00 1.02 0.38 0.00 -2.88 0.00 0.00 179.24 177.76 2k5e s MET 9 N -2.99 3.09 0.50 0.28 0.23 -1.16 -4.70 119.30 114.54 2k5e s MET 9 Ca -0.01 0.97 -0.07 0.00 -1.03 0.00 0.00 55.69 55.55 2k5e s MET 9 Cb 0.10 -2.01 -0.04 0.00 -1.53 0.00 0.00 34.83 31.35 2k5e s MET 9 CO 0.83 -0.98 0.82 0.95 -2.03 0.00 0.00 175.02 174.61 2k5e s THR 10 N -2.96 4.87 0.21 3.16 -4.23 -1.26 -0.96 115.64 114.48 2k5e s THR 10 Ca 0.59 0.34 -0.09 0.00 -1.18 0.00 0.00 61.69 61.34 2k5e s THR 10 Cb -0.14 -3.86 0.16 0.00 1.34 0.00 0.00 72.50 70.00 2k5e s THR 10 CO 0.51 -0.87 1.84 -0.26 -0.54 0.00 0.00 174.62 175.31 2k5e h PHE 11 N 0.23 0.84 -0.90 3.99 0.04 -1.19 -1.98 116.94 117.97 2k5e h PHE 11 Ca -0.46 0.02 0.06 0.00 2.80 0.00 0.00 57.97 60.39 2k5e h PHE 11 Cb 1.20 -0.27 -0.06 0.00 2.20 0.00 0.00 35.95 39.02 2k5e h PHE 11 CO 0.60 0.46 0.57 0.00 -0.60 0.00 0.00 178.31 179.34 2k5e h ALA 12 N 1.32 1.24 -0.32 2.45 0.00 -1.45 -0.70 119.26 121.80 2k5e h ALA 12 Ca 0.30 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 55.09 2k5e h ALA 12 Cb 0.06 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 2k5e h ALA 12 CO -0.13 0.34 -0.21 1.96 0.00 0.00 0.00 179.25 181.21 2k5e h GLN 13 N 1.05 0.70 -0.17 0.00 4.20 -1.73 -2.83 115.11 116.33 2k5e h GLN 13 Ca 0.39 -0.33 0.02 0.00 0.06 0.00 0.00 58.65 58.79 2k5e h GLN 13 Cb 0.15 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 27.90 2k5e h GLN 13 CO -0.17 0.94 0.05 0.00 -0.67 0.00 0.00 178.83 178.98 2k5e h ALA 14 N 0.75 0.18 -0.89 3.87 0.00 -0.79 -1.35 119.26 121.03 2k5e h ALA 14 Ca 0.06 0.03 0.07 0.00 0.00 0.00 0.00 54.91 55.07 2k5e h ALA 14 Cb 0.76 0.02 -0.07 0.00 0.00 0.00 0.00 17.79 18.51 2k5e h ALA 14 CO 0.06 -0.39 0.55 -0.07 0.00 0.00 0.00 179.25 179.40 2k5e h LEU 15 N 0.12 0.86 0.00 0.00 3.38 -1.17 -0.90 115.31 117.60 2k5e h LEU 15 Ca 0.08 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.07 2k5e h LEU 15 Cb 0.06 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.65 2k5e h LEU 15 CO -0.09 0.53 0.00 0.00 0.09 0.00 0.00 178.44 178.97 2k5e n GLN 16 N -4.62 0.17 0.04 1.13 1.13 -1.03 -3.35 117.38 110.85 2k5e n GLN 16 Ca 0.13 0.01 -0.22 0.00 -1.94 0.00 0.00 57.00 54.98 2k5e n GLN 16 Cb 0.20 -1.50 -0.14 0.00 0.11 0.00 0.00 30.24 28.91 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 0.00 0.91 -2.47 5.09 2.02 -0.04 -3.46 112.91 114.96 2k5e h THR 17 Ca 0.00 -2.44 -0.19 0.00 0.77 0.00 0.00 66.41 64.55 2k5e h THR 17 Cb 0.40 2.70 -0.31 0.00 -1.74 0.00 0.00 68.15 69.20 2k5e h THR 17 CO 0.00 0.81 -0.49 -1.00 0.37 0.00 0.00 175.52 175.21 2k5e s HIS 18 N -2.54 -0.60 0.48 3.16 3.76 -0.86 -5.04 115.29 113.65 2k5e s HIS 18 Ca -0.18 0.95 0.22 0.00 -0.15 0.00 0.00 55.06 55.90 2k5e s HIS 18 Cb 0.05 0.01 1.25 0.00 1.11 0.00 0.00 32.58 35.01 2k5e s HIS 18 CO 0.81 -0.52 1.92 -1.35 -0.85 0.00 0.00 174.74 174.75 2k5e h PRO 19 N 8.24 0.19 0.00 8.40 0.11 -1.85 -0.27 132.00 146.82 2k5e h PRO 19 Ca -0.16 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 65.93 2k5e h PRO 19 Cb 1.13 -0.04 -0.00 0.00 0.11 0.00 0.00 31.00 32.20 2k5e h PRO 19 CO 0.19 0.13 -0.00 0.78 -0.21 0.00 0.00 178.00 178.89 2k5e h GLY 20 N 0.20 0.00 1.22 -0.55 0.00 -1.95 -1.92 103.07 100.06 2k5e h GLY 20 Ca 0.37 0.00 0.04 0.00 0.00 0.00 0.00 47.33 47.73 2k5e h GLY 20 CO -0.07 0.00 0.44 -2.08 0.00 0.00 0.00 176.54 174.83 2k5e h VAL 21 N 0.00 1.08 -0.48 4.60 2.07 -1.37 -2.41 116.25 119.74 2k5e h VAL 21 Ca -0.00 -0.27 0.05 0.00 0.82 0.00 0.00 66.70 67.30 2k5e h VAL 21 Cb 0.02 0.24 -0.05 0.00 -1.52 0.00 0.00 31.29 29.98 2k5e h VAL 21 CO 0.00 0.14 0.22 0.00 0.02 0.00 0.00 177.57 177.95 2k5e h ALA 22 N 1.62 0.60 -0.43 1.67 0.00 -1.53 0.64 119.26 121.83 2k5e h ALA 22 Ca 0.27 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.20 2k5e h ALA 22 Cb 0.10 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 2k5e h ALA 22 CO -0.08 -0.14 0.25 0.78 0.00 0.00 0.00 179.25 180.06 2k5e h GLY 23 N 0.44 0.64 0.98 0.00 0.00 -1.59 -0.61 103.07 102.92 2k5e h GLY 23 Ca 0.21 -0.28 -0.00 0.00 0.00 0.00 0.00 47.33 47.26 2k5e h GLY 23 CO -0.17 0.27 -0.06 -2.08 0.00 0.00 0.00 176.54 174.50 2k5e h VAL 24 N 0.57 0.87 -0.11 4.60 2.07 -1.17 -0.84 116.25 122.25 2k5e h VAL 24 Ca 0.15 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.69 2k5e h VAL 24 Cb 0.03 0.87 -0.02 0.00 -1.52 0.00 0.00 31.29 30.65 2k5e h VAL 24 CO -0.03 0.00 -0.02 -0.07 0.02 0.00 0.00 177.57 177.47 2k5e h LEU 25 N -0.16 -0.08 -1.21 2.57 3.38 -0.76 -0.12 115.31 118.93 2k5e h LEU 25 Ca -0.01 0.03 -0.00 0.00 0.09 0.00 0.00 57.88 57.99 2k5e h LEU 25 Cb 0.13 0.06 -0.04 0.00 0.09 0.00 0.00 40.66 40.90 2k5e h LEU 25 CO 0.02 -0.03 0.46 0.03 0.09 0.00 0.00 178.44 179.01 2k5e h ARG 26 N 0.01 1.00 -0.07 1.13 3.08 -1.05 0.40 114.38 118.87 2k5e h ARG 26 Ca 0.05 -0.08 -0.06 0.00 0.07 0.00 0.00 59.98 59.96 2k5e h ARG 26 Cb 0.07 -0.22 -0.01 0.00 0.08 0.00 0.00 29.97 29.90 2k5e h ARG 26 CO -0.10 0.69 -0.22 1.03 -1.07 0.00 0.00 179.97 180.30 2k5e h SER 27 N 1.02 0.12 -0.41 7.04 0.87 -0.67 -2.53 113.55 118.99 2k5e h SER 27 Ca 0.27 -0.03 -0.03 0.00 -1.23 0.00 0.00 61.79 60.77 2k5e h SER 27 Cb -0.06 -0.03 -0.02 0.00 -0.44 0.00 0.00 62.40 61.85 2k5e h SER 27 CO -0.05 0.35 0.04 -1.22 -0.53 0.00 0.00 176.83 175.42 2k5e n TYR 28 N -4.23 1.46 -0.86 2.24 4.02 -0.10 -4.89 117.16 114.81 2k5e n TYR 28 Ca -0.01 -0.56 0.00 0.00 -0.01 0.00 0.00 57.90 57.31 2k5e n TYR 28 Cb 0.31 -0.41 0.00 0.00 -0.02 0.00 0.00 39.34 39.22 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 0.33 -2.36 -0.97 7.72 2.85 -0.86 -4.83 115.26 117.15 2k5e n ASN 29 Ca 0.20 0.00 0.05 0.00 -0.11 0.00 0.00 54.58 54.73 2k5e n ASN 29 Cb 0.92 -1.82 0.19 0.00 1.24 0.00 0.00 39.78 40.31 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 0.00 2.76 0.20 1.20 4.77 0.12 -4.16 117.00 121.89 2k5e n LEU 30 Ca 0.00 -1.39 0.05 0.00 -0.03 0.00 0.00 56.01 54.64 2k5e n LEU 30 Cb 0.14 -0.42 0.40 0.00 -2.33 0.00 0.00 43.42 41.21 2k5e n LEU 30 CO 0.00 0.49 0.73 1.23 -1.33 0.00 0.00 177.39 178.51 2k5e h GLY 31 N 4.84 0.00 1.60 -0.72 0.00 -1.77 -2.98 103.07 104.04 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 0.12 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.66 2k5e h ILE 33 N 0.00 0.73 -0.25 0.00 3.07 -1.86 -0.19 117.51 119.01 2k5e h ILE 33 Ca 0.00 -0.03 -0.17 0.00 1.55 0.00 0.00 64.86 66.21 2k5e h ILE 33 Cb 0.08 0.62 -0.00 0.00 -0.27 0.00 0.00 36.82 37.25 2k5e h ILE 33 CO 0.00 0.02 -0.52 1.23 -1.05 0.00 0.00 178.15 177.82 2k5e h GLY 34 N 0.10 0.78 0.16 0.16 0.00 -1.85 0.20 103.07 102.61 2k5e h GLY 34 Ca 0.30 -0.88 -0.00 0.00 0.00 0.00 0.00 47.33 46.74 2k5e h GLY 34 CO -0.03 0.79 -0.02 0.00 0.00 0.00 0.00 176.54 177.28 2k5e n MET 36 N -4.75 0.35 -1.95 0.00 0.00 -0.38 -4.84 117.12 105.55 2k5e n MET 36 Ca -0.08 0.07 -0.08 0.00 0.00 0.00 0.00 57.70 57.61 2k5e n MET 36 Cb 0.33 -1.50 -0.01 0.00 0.00 0.00 0.00 33.22 32.04 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 -0.09 0.25 0.08 3.17 0.00 -1.07 -4.91 105.19 102.62 2k5e n GLY 37 Ca 0.09 -0.58 0.01 0.00 0.00 0.00 0.00 46.02 45.55 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 -0.84 2.50 -0.30 4.61 0.00 0.68 -3.91 120.51 123.26 2k5e n ALA 38 Ca -0.09 -0.09 -0.01 0.00 0.00 0.00 0.00 53.44 53.26 2k5e n ALA 38 Cb 0.51 -1.02 0.12 0.00 0.00 0.00 0.00 19.45 19.06 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 0.26 0.95 -0.46 0.00 1.08 -1.90 -1.36 115.11 113.69 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 0.06 -0.21 0.00 0.00 -0.05 0.00 0.00 27.48 27.28 2k5e h GLN 39 CO 0.00 0.63 0.00 0.09 -0.95 0.00 0.00 178.83 178.60 2k5e n ASN 40 N -4.61 1.94 -4.66 1.46 3.02 -1.25 -1.29 115.26 109.86 2k5e n ASN 40 Ca 0.11 -2.11 -0.32 0.00 -0.03 0.00 0.00 54.58 52.23 2k5e n ASN 40 Cb 0.14 -0.31 -0.09 0.00 -0.61 0.00 0.00 39.78 38.91 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 -1.64 2.65 0.54 3.52 2.12 -0.51 -4.95 118.70 120.44 2k5e s GLU 41 Ca 0.20 -0.71 -0.19 0.00 0.36 0.00 0.00 54.97 54.62 2k5e s GLU 41 Cb 0.12 -2.59 -0.06 0.00 0.26 0.00 0.00 34.13 31.86 2k5e s GLU 41 CO 0.11 0.59 1.12 -1.12 -0.54 0.00 0.00 175.26 175.42 2k5e s SER 42 N -1.77 5.75 0.23 -1.70 0.01 -1.26 -1.24 113.70 113.71 2k5e s SER 42 Ca 0.21 2.15 -0.07 0.00 1.31 0.00 0.00 55.95 59.55 2k5e s SER 42 Cb -0.11 -2.58 0.35 0.00 0.21 0.00 0.00 66.02 63.89 2k5e s SER 42 CO 0.12 -1.20 1.75 -0.07 0.41 0.00 0.00 173.24 174.25 2k5e h LEU 43 N 1.18 0.31 -1.06 2.44 3.38 -0.99 -1.60 115.31 118.97 2k5e h LEU 43 Ca -0.50 0.08 -0.06 0.00 0.09 0.00 0.00 57.88 57.49 2k5e h LEU 43 Cb 1.26 0.05 -0.02 0.00 0.09 0.00 0.00 40.66 42.04 2k5e h LEU 43 CO 0.57 0.16 -0.02 -0.08 0.09 0.00 0.00 178.44 179.16 2k5e h GLU 44 N 0.48 0.65 -0.02 1.13 4.81 -1.82 -1.12 114.58 118.68 2k5e h GLU 44 Ca 0.35 -0.16 -0.00 0.00 -0.13 0.00 0.00 59.36 59.42 2k5e h GLU 44 Cb 0.46 -0.08 -0.00 0.00 0.63 0.00 0.00 28.75 29.76 2k5e h GLU 44 CO -0.33 0.68 0.01 1.96 -0.73 0.00 0.00 179.01 180.60 2k5e h GLN 45 N 0.61 0.03 -0.32 1.92 4.20 -1.58 -1.91 115.11 118.06 2k5e h GLN 45 Ca 0.12 -0.01 -0.07 0.00 0.06 0.00 0.00 58.65 58.75 2k5e h GLN 45 Cb 0.41 -0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.17 2k5e h GLN 45 CO 0.02 0.23 -0.11 0.78 -0.67 0.00 0.00 178.83 179.08 2k5e h GLY 46 N -0.17 0.58 0.82 3.46 0.00 -1.41 -2.36 103.07 103.98 2k5e h GLY 46 Ca 0.01 -0.40 -0.03 0.00 0.00 0.00 0.00 47.33 46.91 2k5e h GLY 46 CO -0.00 0.37 -0.47 0.00 0.00 0.00 0.00 176.54 176.44 2k5e h ALA 47 N 1.39 -1.19 -0.45 3.60 0.00 -0.98 -1.88 119.26 119.75 2k5e h ALA 47 Ca 0.09 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.77 2k5e h ALA 47 Cb 0.49 0.58 -0.02 0.00 0.00 0.00 0.00 17.79 18.84 2k5e h ALA 47 CO 0.03 -1.19 0.29 -0.91 0.00 0.00 0.00 179.25 177.48 2k5e h ASN 48 N -1.14 0.51 -0.34 0.00 2.35 -1.38 0.73 115.58 116.31 2k5e h ASN 48 Ca -0.10 -0.01 0.02 0.00 -0.55 0.00 0.00 56.30 55.66 2k5e h ASN 48 Cb 0.92 -0.13 -0.02 0.00 0.05 0.00 0.00 38.32 39.14 2k5e h ASN 48 CO 0.10 0.37 0.23 0.00 -1.65 0.00 0.00 177.43 176.48 2k5e h ALA 49 N 1.72 1.85 -0.70 -0.83 0.00 -1.18 -1.13 119.26 118.99 2k5e h ALA 49 Ca 0.16 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.05 2k5e h ALA 49 Cb -0.07 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.62 2k5e h ALA 49 CO -0.03 0.11 0.00 0.72 0.00 0.00 0.00 179.25 180.05 2k5e n HIS 50 N -4.49 1.08 -2.87 0.00 8.25 -0.37 -4.97 115.22 111.86 2k5e n HIS 50 Ca 0.03 -0.53 -0.14 0.00 -0.26 0.00 0.00 57.72 56.82 2k5e n HIS 50 Cb 0.13 -0.06 0.03 0.00 1.12 0.00 0.00 29.99 31.21 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 1.47 0.01 3.48 -1.41 0.00 -0.43 -5.04 105.19 103.28 2k5e n GLY 51 Ca 0.24 -0.20 -0.24 0.00 0.00 0.00 0.00 46.02 45.82 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 -4.36 2.62 -0.24 0.99 1.43 0.11 -4.97 118.68 114.26 2k5e s LEU 52 Ca 0.24 -1.08 -0.12 0.00 -1.03 0.00 0.00 54.13 52.14 2k5e s LEU 52 Cb -0.11 -1.04 -0.05 0.00 0.03 0.00 0.00 46.19 45.03 2k5e s LEU 52 CO 0.30 -0.05 0.23 0.21 0.23 0.00 0.00 176.35 177.27 2k5e s ASN 53 N -3.53 6.17 0.56 2.29 3.84 -1.26 -3.48 114.94 119.54 2k5e s ASN 53 Ca 0.30 0.19 0.27 0.00 0.21 0.00 0.00 52.86 53.83 2k5e s ASN 53 Cb -0.03 -2.14 1.67 0.00 -0.55 0.00 0.00 41.25 40.20 2k5e s ASN 53 CO 0.15 -0.01 2.20 1.62 -2.79 0.00 0.00 177.10 178.28 2k5e h VAL 54 N 5.11 0.61 -0.04 -5.21 3.04 -1.91 -2.81 116.25 115.03 2k5e h VAL 54 Ca -0.36 -0.13 0.03 0.00 -1.01 0.00 0.00 66.70 65.22 2k5e h VAL 54 Cb 1.17 1.08 -0.03 0.00 -2.01 0.00 0.00 31.29 31.50 2k5e h VAL 54 CO 0.65 0.03 -0.13 -0.33 -1.01 0.00 0.00 177.57 176.78 2k5e h GLU 55 N 0.00 -0.20 -0.42 4.17 4.39 -1.99 0.72 114.58 121.26 2k5e h GLU 55 Ca -0.00 0.01 -0.04 0.00 0.34 0.00 0.00 59.36 59.67 2k5e h GLU 55 Cb 0.08 0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 28.75 2k5e h GLU 55 CO 0.00 -0.13 0.09 0.22 -1.16 0.00 0.00 179.01 178.04 2k5e h ASP 56 N -0.20 0.57 0.18 1.42 3.58 -1.94 -1.42 116.42 118.62 2k5e h ASP 56 Ca 0.06 -0.09 -0.01 0.00 0.42 0.00 0.00 57.03 57.41 2k5e h ASP 56 Cb 0.29 -0.15 0.00 0.00 1.72 0.00 0.00 39.33 41.19 2k5e h ASP 56 CO -0.16 0.58 -0.09 0.40 -2.88 0.00 0.00 179.24 177.09 2k5e h ILE 57 N 0.61 0.91 -0.75 2.25 2.04 -1.41 -2.94 117.51 118.21 2k5e h ILE 57 Ca 0.14 -0.52 0.06 0.00 1.00 0.00 0.00 64.86 65.54 2k5e h ILE 57 Cb 0.25 1.23 -0.05 0.00 -0.74 0.00 0.00 36.82 37.50 2k5e h ILE 57 CO -0.00 0.12 0.49 -0.07 0.00 0.00 0.00 178.15 178.69 2k5e h LEU 58 N -0.51 0.70 0.01 1.44 3.38 -0.70 -1.01 115.31 118.63 2k5e h LEU 58 Ca -0.03 0.00 0.03 0.00 0.09 0.00 0.00 57.88 57.98 2k5e h LEU 58 Cb 0.39 -0.15 -0.05 0.00 0.09 0.00 0.00 40.66 40.94 2k5e h LEU 58 CO 0.04 0.45 -0.39 -0.09 0.09 0.00 0.00 178.44 178.55 2k5e h ARG 59 N 0.80 -0.53 -0.11 1.13 2.43 -1.15 0.01 114.38 116.96 2k5e h ARG 59 Ca 0.32 0.04 -0.19 0.00 -0.81 0.00 0.00 59.98 59.34 2k5e h ARG 59 Cb 0.25 0.12 -0.00 0.00 -0.42 0.00 0.00 29.97 29.92 2k5e h ARG 59 CO -0.11 -0.36 -0.73 0.22 -1.51 0.00 0.00 179.97 177.48 2k5e h ASP 60 N -0.55 0.62 -0.15 -3.80 3.58 -1.28 -2.69 116.42 112.15 2k5e h ASP 60 Ca 0.05 -0.40 -0.01 0.00 0.42 0.00 0.00 57.03 57.09 2k5e h ASP 60 Cb 0.63 -0.18 -0.01 0.00 1.72 0.00 0.00 39.33 41.49 2k5e h ASP 60 CO -0.29 1.15 0.07 -0.07 -2.88 0.00 0.00 179.24 177.21 2k5e h LEU 61 N 0.36 0.21 -1.87 2.28 3.38 -1.11 -2.56 115.31 116.00 2k5e h LEU 61 Ca -0.03 -0.15 -0.02 0.00 0.09 0.00 0.00 57.88 57.77 2k5e h LEU 61 Cb 1.32 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 42.01 2k5e h LEU 61 CO 0.13 0.30 -0.09 0.78 0.09 0.00 0.00 178.44 179.65 2k5e h ASN 62 N 0.10 0.00 0.18 -0.43 2.35 -1.01 -0.53 115.58 116.24 2k5e h ASN 62 Ca 0.05 0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 55.77 2k5e h ASN 62 Cb 0.15 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.52 2k5e h ASN 62 CO -0.01 0.09 -0.17 0.00 -1.65 0.00 0.00 177.43 175.69 2k5e h ALA 63 N 1.91 1.68 0.00 -0.83 0.00 -1.11 -0.94 119.26 119.98 2k5e h ALA 63 Ca -0.00 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 54.71 2k5e h ALA 63 Cb 0.16 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 2k5e h ALA 63 CO 0.01 0.21 -0.21 -0.07 0.00 0.00 0.00 179.25 179.19 2k5e h LEU 64 N 0.00 0.00 0.23 0.00 3.38 -0.82 -0.96 115.31 117.14 2k5e h LEU 64 Ca -0.00 0.00 -0.33 0.00 0.09 0.00 0.00 57.88 57.64 2k5e h LEU 64 Cb 0.30 0.00 0.04 0.00 0.09 0.00 0.00 40.66 41.09 2k5e h LEU 64 CO 0.02 0.21 -1.44 0.00 0.09 0.00 0.00 178.44 177.32 2k5e h ALA 65 N 1.79 -0.13 -0.07 1.53 0.00 -1.15 -3.36 119.26 117.87 2k5e h ALA 65 Ca -0.00 -0.85 -0.04 0.00 0.00 0.00 0.00 54.91 54.02 2k5e h ALA 65 Cb 0.54 0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.49 2k5e h ALA 65 CO 0.03 0.71 -0.11 -0.07 0.00 0.00 0.00 179.25 179.81 2k5e h LEU 66 N 0.16 0.22 0.00 0.00 3.38 -1.30 -3.47 115.31 114.31 2k5e h LEU 66 Ca -0.24 -0.53 0.00 0.00 0.09 0.00 0.00 57.88 57.20 2k5e h LEU 66 Cb 2.13 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 42.82 2k5e h LEU 66 CO 0.27 0.71 0.00 -0.62 0.09 0.00 0.00 178.44 178.89 2k5e n GLU 67 N -4.65 -0.07 0.10 1.13 1.02 -0.37 -4.81 120.64 112.97 2k5e n GLU 67 Ca -0.08 0.02 -0.03 0.00 -0.02 0.00 0.00 57.16 57.05 2k5e n GLU 67 Cb 0.35 -3.76 -0.02 0.00 -0.02 0.00 0.00 31.44 27.99 2k5e n GLU 67 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 2k5e h HIS 68 N 0.00 0.00 -2.89 -0.32 3.86 -1.91 -3.44 115.15 110.46 2k5e h HIS 68 Ca 0.00 0.00 -0.56 0.00 -1.16 0.00 0.00 60.37 58.65 2k5e h HIS 68 Cb 0.04 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 28.47 2k5e h HIS 68 CO 0.02 0.80 0.90 -3.38 0.86 0.00 0.00 177.93 177.14 2k5e s HIS 69 N -2.96 2.76 -0.23 2.45 -3.43 -1.26 -5.02 115.29 107.60 2k5e s HIS 69 Ca 0.01 0.90 -0.10 0.00 -0.80 0.00 0.00 55.06 55.07 2k5e s HIS 69 Cb 0.10 -3.56 -0.05 0.00 -1.43 0.00 0.00 32.58 27.64 2k5e s HIS 69 CO 0.79 -2.02 0.15 -1.01 -2.00 0.00 0.00 174.74 170.65 2k5e s HIS 70 N 3.38 3.34 -0.94 0.38 0.09 -1.26 -4.98 115.29 115.30 2k5e s HIS 70 Ca 0.58 0.24 0.22 0.00 -0.00 0.00 0.00 55.06 56.10 2k5e s HIS 70 Cb -0.24 -2.23 0.92 0.00 -0.00 0.00 0.00 32.58 31.02 2k5e s HIS 70 CO 0.18 0.12 1.70 -2.39 -0.00 0.00 0.00 174.74 174.35 2k5e n HIS 71 N 4.07 0.14 -3.89 1.40 1.44 -1.26 -4.67 115.22 112.44 2k5e n HIS 71 Ca -0.15 0.05 -0.16 0.00 -2.01 0.00 0.00 57.72 55.44 2k5e n HIS 71 Cb 0.52 -0.58 -0.16 0.00 0.12 0.00 0.00 29.99 29.89 2k5e n HIS 71 CO 0.00 0.00 0.00 -1.58 -2.81 0.00 0.00 176.34 171.95 2k5e s HIS 72 N -3.03 0.23 -2.31 -1.40 5.65 -1.26 -5.36 115.29 107.80 2k5e s HIS 72 Ca 0.10 0.03 0.29 0.00 0.25 0.00 0.00 55.06 55.74 2k5e s HIS 72 Cb 0.14 -0.34 1.37 0.00 -1.18 0.00 0.00 32.58 32.57 2k5e s HIS 72 CO 0.41 -0.11 1.93 1.58 -0.65 0.00 0.00 174.74 177.89