#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2khr s SER 2 N 0.00 4.73 0.00 1.61 0.01 -1.26 -4.96 113.70 113.83 2khr s SER 2 Ca 0.00 -0.14 0.16 0.00 1.31 0.00 0.00 55.95 57.28 2khr s SER 2 Cb 0.00 -1.76 0.37 0.00 0.21 0.00 0.00 66.02 64.84 2khr s SER 2 CO 0.00 0.18 1.29 1.57 0.41 0.00 0.00 173.24 176.68 2khr n HIS 3 N 3.49 0.51 -1.58 2.43 -0.00 -1.26 -4.95 115.22 113.85 2khr n HIS 3 Ca -0.17 -0.36 -0.41 0.00 0.46 0.00 0.00 57.72 57.23 2khr n HIS 3 Cb 0.52 -0.01 -0.03 0.00 -0.12 0.00 0.00 29.99 30.35 2khr n HIS 3 CO 0.00 0.00 0.00 -0.12 0.46 0.00 0.00 176.34 176.68 2khr n MET 4 N 1.00 1.68 -3.17 1.57 0.00 -1.26 -4.90 117.12 112.04 2khr n MET 4 Ca 0.15 0.37 -0.46 0.00 0.00 0.00 0.00 57.70 57.76 2khr n MET 4 Cb 0.49 -3.31 -0.02 0.00 0.00 0.00 0.00 33.22 30.38 2khr n MET 4 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 175.97 174.85 2khr s SER 5 N 9.57 6.78 0.05 6.12 0.01 -1.26 -4.83 113.70 130.14 2khr s SER 5 Ca 1.00 -2.56 0.04 0.00 1.31 0.00 0.00 55.95 55.74 2khr s SER 5 Cb -0.28 -2.28 -0.24 0.00 0.21 0.00 0.00 66.02 63.42 2khr s SER 5 CO 0.32 -0.73 1.03 0.71 0.41 0.00 0.00 173.24 174.99 2khr h THR 6 N 5.05 1.37 -3.61 1.44 1.35 -2.03 -3.41 112.91 113.08 2khr h THR 6 Ca 0.14 -3.07 -0.67 0.00 -0.55 0.00 0.00 66.41 62.26 2khr h THR 6 Cb 1.01 2.76 -0.38 0.00 -1.73 0.00 0.00 68.15 69.81 2khr h THR 6 CO 0.92 0.83 -0.66 0.20 -0.25 0.00 0.00 175.52 176.56 2khr s ASN 7 N -6.73 4.90 0.05 5.36 -0.87 -1.26 -4.89 114.94 111.49 2khr s ASN 7 Ca -0.03 -2.18 0.23 0.00 -1.57 0.00 0.00 52.86 49.30 2khr s ASN 7 Cb 0.08 -1.69 0.04 0.00 -0.02 0.00 0.00 41.25 39.65 2khr s ASN 7 CO 0.84 -0.42 1.01 -0.81 -2.57 0.00 0.00 177.10 175.15 2khr n PRO 8 N 4.27 0.28 -3.69 -0.60 -0.05 -1.26 -4.78 135.00 129.17 2khr n PRO 8 Ca 0.02 -0.01 -0.38 0.00 -0.05 0.00 0.00 63.50 63.09 2khr n PRO 8 Cb 0.41 -1.59 -0.10 0.00 -0.05 0.00 0.00 33.50 32.17 2khr n PRO 8 CO 0.00 0.00 0.00 -0.06 -0.05 0.00 0.00 175.50 175.39 2khr s PHE 9 N -3.20 3.52 -0.07 0.54 0.08 -1.26 -4.94 117.98 112.66 2khr s PHE 9 Ca 0.04 -2.26 -0.23 0.00 0.12 0.00 0.00 56.93 54.60 2khr s PHE 9 Cb 0.14 -3.32 -0.18 0.00 -0.57 0.00 0.00 43.02 39.09 2khr s PHE 9 CO 0.80 -0.97 0.90 0.22 -0.10 0.00 0.00 175.22 176.07 2khr h ASP 10 N 8.09 -0.09 -4.41 1.36 1.82 -2.03 -3.47 116.42 117.70 2khr h ASP 10 Ca -0.14 -0.52 -0.07 0.00 -0.39 0.00 0.00 57.03 55.90 2khr h ASP 10 Cb 1.05 0.02 -0.21 0.00 0.68 0.00 0.00 39.33 40.87 2khr h ASP 10 CO 0.75 0.56 0.05 -0.62 -1.61 0.00 0.00 179.24 178.37 2khr s ASP 11 N -5.71 -0.61 -0.26 2.28 -1.08 -1.26 -5.14 116.67 104.90 2khr s ASP 11 Ca -0.14 0.96 -0.25 0.00 -0.52 0.00 0.00 52.55 52.60 2khr s ASP 11 Cb -0.00 0.94 -0.00 0.00 -1.46 0.00 0.00 42.92 42.40 2khr s ASP 11 CO 0.55 -0.37 0.87 -0.62 0.52 0.00 0.00 175.17 176.12 2khr s ASP 12 N -0.34 6.85 -0.06 -0.34 2.15 -1.26 -4.95 116.67 118.71 2khr s ASP 12 Ca -0.05 1.02 -0.06 0.00 0.43 0.00 0.00 52.55 53.89 2khr s ASP 12 Cb -0.03 -2.45 -0.02 0.00 -0.30 0.00 0.00 42.92 40.11 2khr s ASP 12 CO 0.04 -0.58 -0.13 -3.20 -0.17 0.00 0.00 175.17 171.13 2khr n ASN 13 N 6.16 0.70 0.00 -0.34 2.85 -1.26 -5.11 115.26 118.26 2khr n ASN 13 Ca 0.07 0.12 0.00 0.00 -0.11 0.00 0.00 54.58 54.66 2khr n ASN 13 Cb 0.47 -0.58 0.00 0.00 1.24 0.00 0.00 39.78 40.91 2khr n ASN 13 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2khr n GLY 14 N 1.50 4.71 3.59 8.20 0.00 -1.26 -5.13 105.19 116.81 2khr n GLY 14 Ca -0.05 -1.08 -0.29 0.00 0.00 0.00 0.00 46.02 44.60 2khr n GLY 14 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2khr s ALA 15 N -2.00 0.43 -0.09 4.61 0.00 -1.26 -4.82 121.76 118.63 2khr s ALA 15 Ca 0.00 -0.07 -0.21 0.00 0.00 0.00 0.00 51.96 51.67 2khr s ALA 15 Cb 0.00 -3.23 0.05 0.00 0.00 0.00 0.00 23.12 19.93 2khr s ALA 15 CO 0.00 -3.23 0.50 -0.59 0.00 0.00 0.00 175.76 172.44 2khr s PHE 16 N -2.68 -0.47 0.25 0.00 -0.12 -1.26 -0.02 117.98 113.68 2khr s PHE 16 Ca 0.67 0.94 0.11 0.00 -0.05 0.00 0.00 56.93 58.60 2khr s PHE 16 Cb -0.22 0.23 -0.05 0.00 -0.63 0.00 0.00 43.02 42.36 2khr s PHE 16 CO 0.61 -0.43 -0.21 -0.06 -0.05 0.00 0.00 175.22 175.09 2khr s PHE 17 N -0.74 2.23 -0.67 3.49 0.40 0.84 -3.30 117.98 120.22 2khr s PHE 17 Ca -0.08 -0.36 -0.21 0.00 -0.60 0.00 0.00 56.93 55.68 2khr s PHE 17 Cb -0.03 -1.01 0.09 0.00 0.51 0.00 0.00 43.02 42.58 2khr s PHE 17 CO 0.05 0.61 0.90 0.08 0.70 0.00 0.00 175.22 177.57 2khr s VAL 18 N -2.29 4.53 -0.15 -0.44 1.01 0.08 0.02 120.40 123.17 2khr s VAL 18 Ca 0.26 -0.71 -0.01 0.00 0.00 0.00 0.00 61.98 61.52 2khr s VAL 18 Cb -0.06 -4.63 -0.01 0.00 0.00 0.00 0.00 36.38 31.68 2khr s VAL 18 CO 0.13 -1.36 -0.11 -0.22 0.00 0.00 0.00 175.10 173.54 2khr s LEU 19 N 3.45 2.78 -0.06 3.92 2.96 0.12 -1.07 118.68 130.77 2khr s LEU 19 Ca 0.20 -0.33 0.02 0.00 -0.22 0.00 0.00 54.13 53.81 2khr s LEU 19 Cb -0.18 -1.64 0.01 0.00 0.50 0.00 0.00 46.19 44.88 2khr s LEU 19 CO 0.07 0.14 -0.12 -0.69 -1.32 0.00 0.00 176.35 174.42 2khr s VAL 20 N 0.53 1.09 0.47 1.68 1.01 -0.43 -2.81 120.40 121.95 2khr s VAL 20 Ca -0.07 -0.46 0.08 0.00 0.00 0.00 0.00 61.98 61.52 2khr s VAL 20 Cb -0.15 -1.00 0.01 0.00 0.00 0.00 0.00 36.38 35.24 2khr s VAL 20 CO 0.04 0.34 0.49 0.54 0.00 0.00 0.00 175.10 176.51 2khr s ASN 21 N 0.64 5.08 0.55 3.32 2.20 -1.26 0.03 114.94 125.50 2khr s ASN 21 Ca -0.14 -0.81 0.29 0.00 -0.94 0.00 0.00 52.86 51.27 2khr s ASN 21 Cb -0.15 -0.24 1.63 0.00 -2.00 0.00 0.00 41.25 40.48 2khr s ASN 21 CO 0.03 -0.88 2.15 -0.78 -2.94 0.00 0.00 177.10 174.68 2khr h ASP 22 N 0.76 0.00 -0.67 3.54 3.58 -1.70 -0.71 116.42 121.22 2khr h ASP 22 Ca -0.38 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.07 2khr h ASP 22 Cb 1.28 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.33 2khr h ASP 22 CO 0.52 0.07 0.00 -0.62 -2.88 0.00 0.00 179.24 176.34 2khr n GLU 23 N -3.65 2.90 -2.95 0.28 -0.58 -1.26 -4.97 120.64 110.41 2khr n GLU 23 Ca -0.02 -2.63 -0.14 0.00 -0.42 0.00 0.00 57.16 53.96 2khr n GLU 23 Cb 0.18 -1.58 -0.02 0.00 -0.57 0.00 0.00 31.44 29.45 2khr n GLU 23 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 2khr n ASP 24 N 1.41 2.30 0.00 1.62 2.03 -0.27 -5.09 116.55 118.55 2khr n ASP 24 Ca 0.23 -1.95 0.00 0.00 0.52 0.00 0.00 54.79 53.59 2khr n ASP 24 Cb 0.64 0.09 0.00 0.00 -0.72 0.00 0.00 41.12 41.13 2khr n ASP 24 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2khr n GLN 25 N -0.77 0.00 -3.61 -0.67 -0.00 -1.26 -4.78 117.38 106.28 2khr n GLN 25 Ca -0.06 0.00 -0.03 0.00 -0.00 0.00 0.00 57.00 56.91 2khr n GLN 25 Cb 0.29 -0.26 -0.06 0.00 -0.00 0.00 0.00 30.24 30.20 2khr n GLN 25 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.06 173.68 2khr s HIS 26 N -2.00 -0.81 -0.03 2.61 -3.43 -1.26 -4.96 115.29 105.40 2khr s HIS 26 Ca 0.00 1.57 -0.07 0.00 -0.80 0.00 0.00 55.06 55.76 2khr s HIS 26 Cb 0.00 0.49 0.01 0.00 -1.43 0.00 0.00 32.58 31.65 2khr s HIS 26 CO 0.00 -0.40 0.16 -1.12 -2.00 0.00 0.00 174.74 171.38 2khr s SER 27 N 1.72 -0.08 -0.33 7.38 0.01 -1.12 -5.05 113.70 116.23 2khr s SER 27 Ca -0.08 0.07 -0.14 0.00 1.31 0.00 0.00 55.95 57.11 2khr s SER 27 Cb -0.05 0.29 -0.02 0.00 0.21 0.00 0.00 66.02 66.45 2khr s SER 27 CO -0.17 -0.23 0.30 -0.76 0.41 0.00 0.00 173.24 172.79 2khr s LEU 28 N -0.67 4.41 -0.29 2.44 2.01 -1.26 -0.70 118.68 124.62 2khr s LEU 28 Ca -0.08 -0.26 -0.07 0.00 0.01 0.00 0.00 54.13 53.73 2khr s LEU 28 Cb -0.04 -2.24 -0.00 0.00 0.01 0.00 0.00 46.19 43.92 2khr s LEU 28 CO 0.01 -0.26 0.09 0.86 1.01 0.00 0.00 176.35 178.06 2khr s TRP 29 N 1.87 3.13 0.19 0.29 -0.11 0.10 -4.91 118.94 119.51 2khr s TRP 29 Ca 0.09 -0.82 -0.31 0.00 1.22 0.00 0.00 56.10 56.28 2khr s TRP 29 Cb -0.17 -2.26 -0.10 0.00 -1.50 0.00 0.00 33.47 29.44 2khr s TRP 29 CO 0.11 -0.52 1.50 -2.14 -4.62 0.00 0.00 176.95 171.28 2khr s PRO 30 N 1.54 4.24 -1.24 5.86 0.02 -1.26 -0.11 135.00 144.05 2khr s PRO 30 Ca 0.04 2.31 -0.19 0.00 0.02 0.00 0.00 61.00 63.18 2khr s PRO 30 Cb -0.17 -3.14 -0.00 0.00 0.02 0.00 0.00 34.50 31.20 2khr s PRO 30 CO 0.03 -0.52 1.88 0.28 -0.33 0.00 0.00 177.00 178.34 2khr n VAL 31 N 3.32 3.06 0.00 3.83 0.31 0.97 -2.85 118.33 126.99 2khr n VAL 31 Ca 0.11 -3.08 0.00 0.00 -0.01 0.00 0.00 64.34 61.35 2khr n VAL 31 Cb 0.39 -2.33 0.00 0.00 -0.91 0.00 0.00 33.84 31.00 2khr n VAL 31 CO 0.00 0.00 0.00 0.33 -1.32 0.00 0.00 176.83 175.84 2khr n PHE 32 N 9.85 0.00 -3.17 3.52 7.35 -1.26 -4.49 117.46 129.26 2khr n PHE 32 Ca 0.48 0.00 -0.22 0.00 -0.76 0.00 0.00 57.45 56.95 2khr n PHE 32 Cb 0.45 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.28 2khr n PHE 32 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2khr s ALA 33 N -0.95 3.84 0.08 3.13 0.00 -1.13 -5.10 121.76 121.64 2khr s ALA 33 Ca 0.00 -1.11 -0.13 0.00 0.00 0.00 0.00 51.96 50.72 2khr s ALA 33 Cb 0.00 -2.04 -0.06 0.00 0.00 0.00 0.00 23.12 21.02 2khr s ALA 33 CO 0.00 -0.24 0.47 0.16 0.00 0.00 0.00 175.76 176.15 2khr s ASP 34 N -4.17 6.77 -0.16 0.00 -4.77 -1.26 -4.98 116.67 108.10 2khr s ASP 34 Ca 0.46 0.96 -0.23 0.00 -3.30 0.00 0.00 52.55 50.44 2khr s ASP 34 Cb -0.10 -2.25 -0.02 0.00 -1.09 0.00 0.00 42.92 39.46 2khr s ASP 34 CO 0.36 0.19 0.71 -0.63 0.70 0.00 0.00 175.17 176.50 2khr s ILE 35 N -1.33 4.98 0.00 2.11 1.01 -1.26 -5.04 121.20 121.66 2khr s ILE 35 Ca 0.32 1.39 0.00 0.00 0.00 0.00 0.00 60.65 62.36 2khr s ILE 35 Cb -0.15 -4.03 0.00 0.00 0.01 0.00 0.00 42.46 38.29 2khr s ILE 35 CO 0.17 0.11 0.00 -0.81 0.00 0.00 0.00 174.94 174.41 2khr n PRO 36 N 4.88 0.00 -3.76 2.79 -0.04 -1.26 -5.10 135.00 132.50 2khr n PRO 36 Ca 0.01 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.37 2khr n PRO 36 Cb 0.50 0.00 -0.06 0.00 -0.04 0.00 0.00 33.50 33.90 2khr n PRO 36 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2khr s ALA 37 N -3.87 -0.53 -0.57 0.55 0.00 -1.26 -4.90 121.76 111.18 2khr s ALA 37 Ca 0.00 -0.38 0.00 0.00 0.00 0.00 0.00 51.96 51.58 2khr s ALA 37 Cb 0.00 0.60 0.00 0.00 0.00 0.00 0.00 23.12 23.72 2khr s ALA 37 CO 0.00 -0.58 0.00 0.41 0.00 0.00 0.00 175.76 175.59 2khr n GLY 38 N -0.14 0.13 3.86 0.00 0.00 -1.26 -4.93 105.19 102.84 2khr n GLY 38 Ca -0.15 -0.62 -0.25 0.00 0.00 0.00 0.00 46.02 45.01 2khr n GLY 38 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 2khr s TRP 39 N -2.32 2.10 -0.20 1.61 1.48 -1.26 -1.75 118.94 118.59 2khr s TRP 39 Ca 0.00 -0.70 -0.10 0.00 -1.06 0.00 0.00 56.10 54.23 2khr s TRP 39 Cb 0.00 -1.98 0.07 0.00 -1.16 0.00 0.00 33.47 30.40 2khr s TRP 39 CO 0.00 -0.24 0.47 0.50 -4.06 0.00 0.00 176.95 173.62 2khr s ARG 40 N -4.16 0.45 -0.27 3.25 6.06 0.10 -4.92 118.95 119.46 2khr s ARG 40 Ca 0.39 0.94 -0.21 0.00 -2.50 0.00 0.00 55.73 54.34 2khr s ARG 40 Cb -0.01 0.10 -0.01 0.00 0.06 0.00 0.00 34.95 35.08 2khr s ARG 40 CO 0.23 -0.17 0.69 0.08 -2.50 0.00 0.00 175.30 173.62 2khr s VAL 41 N 1.70 4.92 -0.12 7.11 1.01 -1.26 -1.31 120.40 132.44 2khr s VAL 41 Ca -0.08 1.15 0.18 0.00 0.00 0.00 0.00 61.98 63.22 2khr s VAL 41 Cb -0.08 -4.01 -0.22 0.00 0.00 0.00 0.00 36.38 32.07 2khr s VAL 41 CO -0.14 -0.07 0.50 0.52 0.00 0.00 0.00 175.10 175.90 2khr n VAL 42 N 5.30 1.09 -3.60 2.92 0.31 -0.24 -4.99 118.33 119.13 2khr n VAL 42 Ca 0.01 -0.72 -0.12 0.00 -0.01 0.00 0.00 64.34 63.49 2khr n VAL 42 Cb 0.49 -0.55 -0.06 0.00 -0.91 0.00 0.00 33.84 32.81 2khr n VAL 42 CO 0.00 0.00 0.00 -2.28 -1.32 0.00 0.00 176.83 173.23 2khr s HIS 43 N -2.85 -0.54 0.00 3.52 2.46 -1.22 -5.00 115.29 111.65 2khr s HIS 43 Ca -0.06 1.15 0.00 0.00 0.47 0.00 0.00 55.06 56.62 2khr s HIS 43 Cb 0.09 0.38 0.00 0.00 -0.13 0.00 0.00 32.58 32.92 2khr s HIS 43 CO 0.84 -0.37 0.00 0.41 -2.47 0.00 0.00 174.74 173.15 2khr n GLY 44 N 1.62 0.12 3.55 1.59 0.00 -1.26 -0.74 105.19 110.08 2khr n GLY 44 Ca -0.13 -1.81 -0.39 0.00 0.00 0.00 0.00 46.02 43.69 2khr n GLY 44 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2khr s GLU 45 N -0.57 2.88 0.20 1.61 4.04 -1.21 -4.47 118.70 121.18 2khr s GLU 45 Ca 0.00 0.13 0.02 0.00 0.04 0.00 0.00 54.97 55.16 2khr s GLU 45 Cb 0.00 -4.41 -0.05 0.00 0.02 0.00 0.00 34.13 29.69 2khr s GLU 45 CO 0.00 -2.53 0.03 0.00 -1.84 0.00 0.00 175.26 170.91 2khr s ALA 46 N 7.68 1.49 -0.05 -0.84 0.00 -1.26 -4.99 121.76 123.79 2khr s ALA 46 Ca 0.54 -1.68 -0.22 0.00 0.00 0.00 0.00 51.96 50.60 2khr s ALA 46 Cb -0.10 0.68 -0.11 0.00 0.00 0.00 0.00 23.12 23.60 2khr s ALA 46 CO 0.15 -0.35 0.63 0.43 0.00 0.00 0.00 175.76 176.62 2khr n SER 47 N -0.32 0.11 -0.16 0.00 7.64 -1.26 -4.55 113.62 115.08 2khr n SER 47 Ca -0.05 0.63 -0.02 0.00 1.01 0.00 0.00 58.87 60.45 2khr n SER 47 Cb 0.64 -0.50 0.07 0.00 -1.01 0.00 0.00 64.21 63.41 2khr n SER 47 CO 0.00 0.00 0.00 -0.09 -3.01 0.00 0.00 175.04 171.94 2khr h ARG 48 N 1.82 0.30 -0.39 1.43 9.65 -1.98 -0.06 114.38 125.14 2khr h ARG 48 Ca -0.27 -0.02 -0.00 0.00 -1.10 0.00 0.00 59.98 58.59 2khr h ARG 48 Cb 0.77 -0.07 -0.02 0.00 -1.39 0.00 0.00 29.97 29.27 2khr h ARG 48 CO 0.38 0.20 0.23 0.00 2.80 0.00 0.00 179.97 183.58 2khr h ALA 49 N 1.37 1.67 -0.02 2.80 0.00 -1.99 -0.22 119.26 122.86 2khr h ALA 49 Ca 0.25 -0.05 -0.26 0.00 0.00 0.00 0.00 54.91 54.85 2khr h ALA 49 Cb 0.31 -0.16 0.02 0.00 0.00 0.00 0.00 17.79 17.95 2khr h ALA 49 CO -0.29 0.29 -1.00 0.00 0.00 0.00 0.00 179.25 178.25 2khr h ALA 50 N 1.72 0.18 -0.26 0.00 0.00 -1.41 -0.58 119.26 118.91 2khr h ALA 50 Ca 0.14 -0.69 -0.08 0.00 0.00 0.00 0.00 54.91 54.29 2khr h ALA 50 Cb -0.01 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 2khr h ALA 50 CO -0.03 0.70 -0.14 0.00 0.00 0.00 0.00 179.25 179.79 2khr h LEU 52 N 0.29 0.43 0.06 0.00 -0.00 -1.10 -1.12 115.31 113.86 2khr h LEU 52 Ca 0.06 -0.10 0.02 0.00 -0.00 0.00 0.00 57.88 57.86 2khr h LEU 52 Cb 0.65 -0.11 -0.03 0.00 -0.00 0.00 0.00 40.66 41.17 2khr h LEU 52 CO 0.04 0.40 -0.20 -0.78 -0.00 0.00 0.00 178.44 177.90 2khr h ASP 53 N 0.42 -0.59 -0.19 -0.43 3.58 -1.02 -0.89 116.42 117.31 2khr h ASP 53 Ca 0.12 0.08 0.05 0.00 0.42 0.00 0.00 57.03 57.69 2khr h ASP 53 Cb 0.08 0.23 -0.05 0.00 1.72 0.00 0.00 39.33 41.31 2khr h ASP 53 CO -0.02 -0.28 -0.11 0.22 -2.88 0.00 0.00 179.24 176.17 2khr h TYR 54 N -0.36 -0.26 -0.49 0.28 3.20 -0.71 0.37 116.97 119.00 2khr h TYR 54 Ca 0.04 0.02 -0.08 0.00 3.14 0.00 0.00 58.73 61.85 2khr h TYR 54 Cb 0.41 0.14 -0.02 0.00 1.54 0.00 0.00 36.73 38.80 2khr h TYR 54 CO -0.22 -0.17 -0.03 -0.39 -1.64 0.00 0.00 178.16 175.71 2khr h VAL 55 N -0.10 1.25 -0.09 1.81 -1.51 -1.05 -1.15 116.25 115.40 2khr h VAL 55 Ca 0.11 -1.08 -0.16 0.00 -1.23 0.00 0.00 66.70 64.34 2khr h VAL 55 Cb 0.26 0.91 -0.01 0.00 -2.13 0.00 0.00 31.29 30.31 2khr h VAL 55 CO -0.25 0.38 -0.65 -0.33 -1.23 0.00 0.00 177.57 175.49 2khr h GLU 56 N 0.77 0.37 -0.14 5.19 4.39 -0.69 -0.74 114.58 123.73 2khr h GLU 56 Ca 0.14 -0.27 0.02 0.00 0.34 0.00 0.00 59.36 59.59 2khr h GLU 56 Cb 0.51 0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 29.19 2khr h GLU 56 CO 0.03 0.89 0.04 0.87 -1.16 0.00 0.00 179.01 179.67 2khr h LYS 57 N 0.26 0.10 -0.07 2.33 1.57 0.17 -1.36 116.57 119.56 2khr h LYS 57 Ca -0.01 -0.01 -0.09 0.00 -1.87 0.00 0.00 60.65 58.67 2khr h LYS 57 Cb 1.19 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 33.46 2khr h LYS 57 CO 0.11 0.07 -0.37 -0.91 -0.57 0.00 0.00 179.45 177.77 2khr h ASN 58 N 0.10 0.16 0.49 0.86 -0.26 -1.08 0.66 115.58 116.51 2khr h ASN 58 Ca 0.06 -0.06 -0.09 0.00 -0.56 0.00 0.00 56.30 55.65 2khr h ASN 58 Cb 0.04 -0.04 -0.01 0.00 -1.06 0.00 0.00 38.32 37.25 2khr h ASN 58 CO -0.07 0.52 -0.45 -0.25 -1.06 0.00 0.00 177.43 176.12 2khr h TRP 59 N 0.13 0.00 0.02 1.19 2.91 -0.86 -3.23 115.95 116.11 2khr h TRP 59 Ca 0.01 0.00 -0.18 0.00 1.13 0.00 0.00 58.89 59.85 2khr h TRP 59 Cb 0.72 0.00 -0.02 0.00 -0.51 0.00 0.00 29.16 29.35 2khr h TRP 59 CO 0.01 0.45 -0.98 1.15 -1.03 0.00 0.00 178.44 178.03 2khr h THR 60 N 0.00 1.14 -3.61 2.65 2.02 -0.51 -3.45 112.91 111.15 2khr h THR 60 Ca -0.00 -2.26 -0.66 0.00 0.77 0.00 0.00 66.41 64.26 2khr h THR 60 Cb 0.81 2.59 -0.37 0.00 -1.74 0.00 0.00 68.15 69.44 2khr h THR 60 CO 0.06 0.45 -0.81 -0.62 0.37 0.00 0.00 175.52 174.97 2khr s ASP 61 N -6.73 3.96 -1.24 4.18 2.15 0.22 -5.04 116.67 114.18 2khr s ASP 61 Ca -0.25 -1.14 -0.19 0.00 0.43 0.00 0.00 52.55 51.40 2khr s ASP 61 Cb 0.03 -1.46 -0.01 0.00 -0.30 0.00 0.00 42.92 41.19 2khr s ASP 61 CO 0.64 -0.14 1.92 0.18 -0.17 0.00 0.00 175.17 177.60 2khr n LEU 62 N 4.53 4.86 -3.37 -1.34 7.99 -1.22 -3.94 117.00 124.50 2khr n LEU 62 Ca -0.16 -3.66 -0.17 0.00 -0.01 0.00 0.00 56.01 52.01 2khr n LEU 62 Cb 0.45 -1.63 -0.08 0.00 -0.11 0.00 0.00 43.42 42.04 2khr n LEU 62 CO 0.22 -0.14 -0.16 -0.13 -1.51 0.00 0.00 177.39 175.67 2khr s ARG 63 N 4.59 0.54 0.38 3.23 0.52 -1.26 -5.14 118.95 121.82 2khr s ARG 63 Ca 0.56 -0.63 -0.26 0.00 -0.52 0.00 0.00 55.73 54.88 2khr s ARG 63 Cb 0.07 -0.70 -0.09 0.00 0.52 0.00 0.00 34.95 34.75 2khr s ARG 63 CO 0.06 -1.14 1.23 -1.25 0.02 0.00 0.00 175.30 174.21 2khr s PRO 64 N 1.73 4.10 -1.31 3.54 0.04 -1.26 -4.88 135.00 136.96 2khr s PRO 64 Ca 0.14 1.99 -0.15 0.00 0.04 0.00 0.00 61.00 63.03 2khr s PRO 64 Cb -0.15 -2.79 0.10 0.00 0.04 0.00 0.00 34.50 31.70 2khr s PRO 64 CO -0.13 -0.32 1.80 1.63 0.04 0.00 0.00 177.00 180.02 2khr n LYS 65 N 0.27 3.21 -2.30 4.56 5.02 -1.26 -4.63 118.16 123.03 2khr n LYS 65 Ca 0.03 -3.28 -0.04 0.00 -2.02 0.00 0.00 58.31 53.00 2khr n LYS 65 Cb 0.45 -3.29 -0.03 0.00 -0.02 0.00 0.00 35.03 32.13 2khr n LYS 65 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 2khr n SER 66 N 6.77 -1.11 0.03 4.39 2.88 -1.26 -4.94 113.62 120.38 2khr n SER 66 Ca 0.46 1.03 0.11 0.00 -1.33 0.00 0.00 58.87 59.15 2khr n SER 66 Cb 0.43 -4.20 0.07 0.00 -0.75 0.00 0.00 64.21 59.76 2khr n SER 66 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2khr n LEU 67 N 1.29 0.63 -4.91 2.46 -0.00 -1.26 -4.87 117.00 110.35 2khr n LEU 67 Ca -0.30 0.05 -0.32 0.00 -0.00 0.00 0.00 56.01 55.44 2khr n LEU 67 Cb 0.47 -0.13 -0.04 0.00 -0.00 0.00 0.00 43.42 43.72 2khr n LEU 67 CO 0.28 0.02 -0.07 -0.60 -0.00 0.00 0.00 177.39 177.02 2khr s ARG 68 N -3.18 3.53 -0.64 1.47 3.52 -1.26 -4.66 118.95 117.74 2khr s ARG 68 Ca 0.05 -0.25 -0.03 0.00 -0.13 0.00 0.00 55.73 55.36 2khr s ARG 68 Cb 0.14 -2.98 0.00 0.00 -1.56 0.00 0.00 34.95 30.56 2khr s ARG 68 CO 0.77 0.57 0.64 -3.47 -0.81 0.00 0.00 175.30 173.00 2khr n ASP 69 N 0.37 -7.52 0.00 -2.12 2.03 -1.26 -4.97 116.55 103.07 2khr n ASP 69 Ca -0.05 0.06 0.00 0.00 0.52 0.00 0.00 54.79 55.32 2khr n ASP 69 Cb 0.52 -5.10 0.00 0.00 -0.72 0.00 0.00 41.12 35.81 2khr n ASP 69 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2khr n ALA 70 N -1.42 0.49 -3.04 -1.67 0.00 -1.26 -5.08 120.51 108.53 2khr n ALA 70 Ca 0.02 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.35 2khr n ALA 70 Cb 0.49 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.82 2khr n ALA 70 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2khr s MET 71 N -0.49 0.27 -0.54 0.00 0.23 -1.26 -5.12 119.30 112.40 2khr s MET 71 Ca 0.00 -0.06 -0.18 0.00 -1.03 0.00 0.00 55.69 54.42 2khr s MET 71 Cb 0.00 0.12 0.09 0.00 -1.53 0.00 0.00 34.83 33.51 2khr s MET 71 CO 0.00 -0.05 0.59 0.08 -2.03 0.00 0.00 175.02 173.61 2khr s VAL 72 N -0.51 4.98 -1.27 5.16 1.01 -1.26 -4.97 120.40 123.54 2khr s VAL 72 Ca -0.06 -0.97 -0.19 0.00 0.00 0.00 0.00 61.98 60.76 2khr s VAL 72 Cb -0.04 -4.35 0.06 0.00 0.00 0.00 0.00 36.38 32.05 2khr s VAL 72 CO 0.01 -0.90 1.73 -1.83 0.00 0.00 0.00 175.10 174.11 2khr s GLU 73 N 2.29 3.83 0.00 2.72 -1.05 -1.26 -5.27 118.70 119.96 2khr s GLU 73 Ca 0.10 -1.86 0.00 0.00 -0.15 0.00 0.00 54.97 53.06 2khr s GLU 73 Cb -0.24 -5.50 0.00 0.00 -0.44 0.00 0.00 34.13 27.95 2khr s GLU 73 CO 0.07 -2.40 0.00 -3.47 0.95 0.00 0.00 175.26 170.41