#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 5.25 -0.58 1.61 0.01 -1.26 -4.91 113.70 113.82 2khr s SER 2 Ca 0.00 1.20 -0.27 0.00 1.31 0.00 0.00 55.95 58.19 2khr s SER 2 Cb 0.00 -2.52 -0.01 0.00 0.21 0.00 0.00 66.02 63.71 2khr s SER 2 CO 0.00 -2.24 1.68 -2.28 0.41 0.00 0.00 173.24 170.81 2khr s HIS 3 N 9.19 1.90 0.27 2.43 5.65 -1.26 -4.97 115.29 128.49 2khr s HIS 3 Ca 0.88 0.60 0.07 0.00 0.25 0.00 0.00 55.06 56.85 2khr s HIS 3 Cb -0.22 -4.23 -0.03 0.00 -1.18 0.00 0.00 32.58 26.92 2khr s HIS 3 CO 0.29 -2.28 0.25 -1.64 -0.65 0.00 0.00 174.74 170.71 2khr s MET 4 N 6.36 2.95 -0.40 2.88 1.00 -1.26 -5.09 119.30 125.75 2khr s MET 4 Ca 0.61 -1.07 0.04 0.00 0.00 0.00 0.00 55.69 55.28 2khr s MET 4 Cb -0.13 -2.60 0.16 0.00 0.00 0.00 0.00 34.83 32.27 2khr s MET 4 CO 0.23 0.32 0.43 -1.12 0.00 0.00 0.00 175.02 174.88 2khr s SER 5 N -3.91 0.70 0.10 3.03 0.01 -1.26 -5.02 113.70 107.35 2khr s SER 5 Ca 0.35 -1.74 -0.21 0.00 1.31 0.00 0.00 55.95 55.66 2khr s SER 5 Cb -0.08 0.69 -0.10 0.00 0.21 0.00 0.00 66.02 66.74 2khr s SER 5 CO 0.26 -0.22 1.69 0.74 0.41 0.00 0.00 173.24 176.12 2khr h THR 6 N 4.96 1.10 -4.05 1.44 2.02 -1.99 -3.42 112.91 112.97 2khr h THR 6 Ca 0.08 -0.26 -0.68 0.00 0.77 0.00 0.00 66.41 66.32 2khr h THR 6 Cb 1.05 1.02 -0.31 0.00 -1.74 0.00 0.00 68.15 68.17 2khr h THR 6 CO 0.19 0.09 -0.88 0.54 0.37 0.00 0.00 175.52 175.83 2khr s ASN 7 N -5.42 3.00 -0.00 4.18 2.20 -1.26 -4.96 114.94 112.68 2khr s ASN 7 Ca -0.13 -0.50 0.11 0.00 -0.94 0.00 0.00 52.86 51.40 2khr s ASN 7 Cb 0.07 -0.78 0.31 0.00 -2.00 0.00 0.00 41.25 38.85 2khr s ASN 7 CO 0.69 0.24 1.26 -0.81 -2.94 0.00 0.00 177.10 175.54 2khr n PRO 8 N 2.92 1.83 0.03 3.55 -0.04 -1.26 -4.14 135.00 137.89 2khr n PRO 8 Ca -0.17 -1.28 -0.09 0.00 -0.04 0.00 0.00 63.50 61.91 2khr n PRO 8 Cb 0.52 -1.28 -0.13 0.00 -0.04 0.00 0.00 33.50 32.57 2khr n PRO 8 CO 0.00 0.00 0.00 0.74 -0.04 0.00 0.00 175.50 176.20 2khr h PHE 9 N 2.08 0.09 0.00 0.54 0.04 -1.98 -3.47 116.94 114.23 2khr h PHE 9 Ca 0.00 -0.07 0.00 0.00 2.80 0.00 0.00 57.97 60.70 2khr h PHE 9 Cb 0.48 -0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.63 2khr h PHE 9 CO 0.24 1.08 0.00 -3.47 -0.60 0.00 0.00 178.31 175.56 2khr n ASP 10 N -3.27 0.00 -4.27 2.17 2.03 -1.26 -4.79 116.55 107.16 2khr n ASP 10 Ca -0.09 0.00 -0.39 0.00 0.52 0.00 0.00 54.79 54.83 2khr n ASP 10 Cb 1.00 0.00 -0.02 0.00 -0.72 0.00 0.00 41.12 41.37 2khr n ASP 10 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 2khr n ASP 11 N 2.21 3.89 -4.28 1.67 2.03 -1.26 -4.84 116.55 115.98 2khr n ASP 11 Ca 0.00 -2.81 -0.45 0.00 0.52 0.00 0.00 54.79 52.05 2khr n ASP 11 Cb 0.00 -1.64 -0.05 0.00 -0.72 0.00 0.00 41.12 38.71 2khr n ASP 11 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 2khr s ASP 12 N 4.73 6.16 0.37 1.67 -1.08 -1.26 -5.06 116.67 122.20 2khr s ASP 12 Ca 0.57 -2.08 0.05 0.00 -0.52 0.00 0.00 52.55 50.57 2khr s ASP 12 Cb 0.06 -2.15 -0.07 0.00 -1.46 0.00 0.00 42.92 39.31 2khr s ASP 12 CO 0.07 -0.73 0.04 0.21 0.52 0.00 0.00 175.17 175.27 2khr s ASN 13 N 2.90 3.08 0.00 -0.34 3.84 -1.26 -5.05 114.94 118.11 2khr s ASN 13 Ca 0.08 -1.37 0.00 0.00 0.21 0.00 0.00 52.86 51.77 2khr s ASN 13 Cb -0.24 -0.23 0.00 0.00 -0.55 0.00 0.00 41.25 40.23 2khr s ASN 13 CO -0.01 -0.53 0.00 0.61 -2.79 0.00 0.00 177.10 174.38 2khr n GLY 14 N -0.82 -0.06 3.98 1.21 0.00 -1.26 -4.51 105.19 103.73 2khr n GLY 14 Ca -0.04 -1.30 -0.19 0.00 0.00 0.00 0.00 46.02 44.50 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 -1.50 4.20 -0.04 4.61 0.00 -1.26 -4.97 121.76 122.81 2khr s ALA 15 Ca 0.00 -1.45 -0.09 0.00 0.00 0.00 0.00 51.96 50.42 2khr s ALA 15 Cb 0.00 -1.66 0.01 0.00 0.00 0.00 0.00 23.12 21.47 2khr s ALA 15 CO 0.00 -0.01 0.21 -0.59 0.00 0.00 0.00 175.76 175.37 2khr s PHE 16 N -2.16 -0.12 0.23 0.00 -0.12 -1.26 0.27 117.98 114.81 2khr s PHE 16 Ca 0.44 0.25 0.11 0.00 -0.05 0.00 0.00 56.93 57.68 2khr s PHE 16 Cb -0.09 0.04 -0.05 0.00 -0.63 0.00 0.00 43.02 42.29 2khr s PHE 16 CO 0.31 -0.24 -0.20 -0.06 -0.05 0.00 0.00 175.22 174.98 2khr s PHE 17 N -0.74 2.17 -0.70 3.49 0.40 0.12 -3.47 117.98 119.25 2khr s PHE 17 Ca -0.08 -0.38 -0.20 0.00 -0.60 0.00 0.00 56.93 55.66 2khr s PHE 17 Cb -0.05 -1.01 0.10 0.00 0.51 0.00 0.00 43.02 42.58 2khr s PHE 17 CO 0.02 0.56 0.92 0.08 0.70 0.00 0.00 175.22 177.49 2khr s VAL 18 N -2.22 4.60 -0.14 -0.44 1.01 0.53 -0.97 120.40 122.77 2khr s VAL 18 Ca 0.24 -0.88 -0.08 0.00 0.00 0.00 0.00 61.98 61.27 2khr s VAL 18 Cb -0.06 -4.64 -0.04 0.00 0.00 0.00 0.00 36.38 31.64 2khr s VAL 18 CO 0.11 -1.36 0.13 -0.22 0.00 0.00 0.00 175.10 173.77 2khr s LEU 19 N 3.24 4.32 -0.03 3.92 2.96 0.64 -1.10 118.68 132.63 2khr s LEU 19 Ca 0.21 0.41 0.02 0.00 -0.22 0.00 0.00 54.13 54.55 2khr s LEU 19 Cb -0.16 -2.07 0.01 0.00 0.50 0.00 0.00 46.19 44.47 2khr s LEU 19 CO 0.04 0.36 -0.10 -0.69 -1.32 0.00 0.00 176.35 174.64 2khr s VAL 20 N -0.72 0.86 0.16 1.68 1.01 0.76 -0.06 120.40 124.10 2khr s VAL 20 Ca 0.13 -0.38 0.10 0.00 0.00 0.00 0.00 61.98 61.83 2khr s VAL 20 Cb -0.12 -0.77 -0.04 0.00 0.00 0.00 0.00 36.38 35.45 2khr s VAL 20 CO 0.03 0.27 -0.20 0.21 0.00 0.00 0.00 175.10 175.41 2khr s ASN 21 N 0.29 3.69 0.41 3.32 2.47 -1.26 -0.89 114.94 122.96 2khr s ASN 21 Ca -0.05 -0.72 0.10 0.00 0.42 0.00 0.00 52.86 52.61 2khr s ASN 21 Cb -0.10 -0.41 0.85 0.00 -1.45 0.00 0.00 41.25 40.14 2khr s ASN 21 CO 0.01 0.14 1.97 -0.78 -3.72 0.00 0.00 177.10 174.72 2khr h ASP 22 N 3.38 0.26 -0.29 -4.21 3.58 -1.98 0.39 116.42 117.55 2khr h ASP 22 Ca -0.48 -0.04 0.00 0.00 0.42 0.00 0.00 57.03 56.93 2khr h ASP 22 Cb 1.19 -0.07 0.00 0.00 1.72 0.00 0.00 39.33 42.18 2khr h ASP 22 CO 0.47 0.33 0.00 -0.62 -2.88 0.00 0.00 179.24 176.54 2khr n GLU 23 N -4.35 1.92 -1.34 0.28 1.02 -1.26 -4.86 120.64 112.05 2khr n GLU 23 Ca -0.00 -1.13 0.00 0.00 -0.02 0.00 0.00 57.16 56.00 2khr n GLU 23 Cb 0.20 -1.38 0.00 0.00 -0.02 0.00 0.00 31.44 30.24 2khr n GLU 23 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 2khr n ASP 24 N 0.35 0.42 0.03 1.62 -0.08 0.13 -5.11 116.55 113.90 2khr n ASP 24 Ca 0.10 -0.67 0.00 0.00 -1.51 0.00 0.00 54.79 52.71 2khr n ASP 24 Cb 0.35 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.81 2khr n ASP 24 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2khr n GLN 25 N 0.00 0.00 -3.63 -0.67 10.64 -1.26 -4.66 117.38 117.81 2khr n GLN 25 Ca 0.00 0.00 -0.04 0.00 -1.83 0.00 0.00 57.00 55.13 2khr n GLN 25 Cb 0.00 -0.27 -0.06 0.00 -0.86 0.00 0.00 30.24 29.05 2khr n GLN 25 CO 0.00 0.00 0.00 -1.01 -1.83 0.00 0.00 177.06 174.22 2khr s HIS 26 N -2.00 -0.96 -0.03 2.61 3.76 -1.26 -4.72 115.29 112.68 2khr s HIS 26 Ca 0.00 1.86 0.01 0.00 -0.15 0.00 0.00 55.06 56.78 2khr s HIS 26 Cb 0.00 0.58 0.02 0.00 1.11 0.00 0.00 32.58 34.28 2khr s HIS 26 CO 0.00 -0.48 -0.04 -1.12 -0.85 0.00 0.00 174.74 172.26 2khr s SER 27 N 1.79 0.74 -0.64 1.40 0.01 0.92 -5.01 113.70 112.91 2khr s SER 27 Ca -0.09 -0.10 -0.25 0.00 1.31 0.00 0.00 55.95 56.83 2khr s SER 27 Cb -0.06 -0.32 0.05 0.00 0.21 0.00 0.00 66.02 65.90 2khr s SER 27 CO -0.18 -0.04 1.06 -0.76 0.41 0.00 0.00 173.24 173.72 2khr s LEU 28 N 0.74 3.90 -0.29 2.44 2.01 -1.26 -0.26 118.68 125.96 2khr s LEU 28 Ca -0.09 -0.55 -0.07 0.00 0.01 0.00 0.00 54.13 53.42 2khr s LEU 28 Cb -0.12 -2.65 0.00 0.00 0.01 0.00 0.00 46.19 43.43 2khr s LEU 28 CO -0.00 -1.48 0.08 0.86 1.01 0.00 0.00 176.35 176.82 2khr s TRP 29 N 4.54 3.14 0.32 0.29 -0.11 -0.14 -4.92 118.94 122.05 2khr s TRP 29 Ca 0.30 -0.85 -0.27 0.00 1.22 0.00 0.00 56.10 56.50 2khr s TRP 29 Cb -0.12 -2.26 -0.09 0.00 -1.50 0.00 0.00 33.47 29.49 2khr s TRP 29 CO 0.16 -0.53 1.01 -1.25 -4.62 0.00 0.00 176.95 171.72 2khr s PRO 30 N 1.53 4.52 0.00 5.86 0.04 -1.26 0.16 135.00 145.85 2khr s PRO 30 Ca 0.03 1.53 0.20 0.00 0.04 0.00 0.00 61.00 62.80 2khr s PRO 30 Cb -0.17 -2.90 1.18 0.00 0.04 0.00 0.00 34.50 32.65 2khr s PRO 30 CO 0.03 0.18 1.62 1.33 0.04 0.00 0.00 177.00 180.20 2khr n VAL 31 N 0.69 0.00 0.25 -0.36 0.24 0.14 -2.25 118.33 117.03 2khr n VAL 31 Ca 0.01 0.00 0.09 0.00 -2.04 0.00 0.00 64.34 62.41 2khr n VAL 31 Cb 0.48 -0.53 0.64 0.00 -1.47 0.00 0.00 33.84 32.96 2khr n VAL 31 CO 0.00 0.00 0.00 0.15 -2.14 0.00 0.00 176.83 174.84 2khr h PHE 32 N 0.00 0.00 -3.17 6.34 3.57 -1.79 -3.41 116.94 118.48 2khr h PHE 32 Ca 0.00 0.00 -0.63 0.00 3.53 0.00 0.00 57.97 60.87 2khr h PHE 32 Cb 0.00 0.00 -0.12 0.00 2.79 0.00 0.00 35.95 38.62 2khr h PHE 32 CO 0.00 0.13 -0.68 0.00 -2.23 0.00 0.00 178.31 175.53 2khr s ALA 33 N -4.52 3.18 0.27 2.41 0.00 -0.96 -5.11 121.76 117.03 2khr s ALA 33 Ca -0.04 -1.26 -0.24 0.00 0.00 0.00 0.00 51.96 50.41 2khr s ALA 33 Cb 0.15 -1.03 -0.09 0.00 0.00 0.00 0.00 23.12 22.14 2khr s ALA 33 CO 0.64 0.58 0.86 0.16 0.00 0.00 0.00 175.76 178.01 2khr s ASP 34 N -2.60 7.29 -0.19 0.00 -4.77 -1.26 -4.89 116.67 110.25 2khr s ASP 34 Ca 0.26 1.71 -0.26 0.00 -3.30 0.00 0.00 52.55 50.96 2khr s ASP 34 Cb -0.10 -2.53 -0.01 0.00 -1.09 0.00 0.00 42.92 39.19 2khr s ASP 34 CO 0.17 0.01 0.85 -0.63 0.70 0.00 0.00 175.17 176.28 2khr s ILE 35 N -1.51 4.85 0.00 2.11 1.01 -1.26 -5.02 121.20 121.38 2khr s ILE 35 Ca 0.46 1.66 0.00 0.00 0.00 0.00 0.00 60.65 62.77 2khr s ILE 35 Cb -0.19 -4.15 0.00 0.00 0.01 0.00 0.00 42.46 38.13 2khr s ILE 35 CO 0.24 -0.02 0.00 -0.81 0.00 0.00 0.00 174.94 174.35 2khr n PRO 36 N 5.53 0.00 -3.68 2.79 -0.04 -1.26 -5.07 135.00 133.27 2khr n PRO 36 Ca 0.06 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.42 2khr n PRO 36 Cb 0.48 -0.04 -0.03 0.00 -0.04 0.00 0.00 33.50 33.87 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 -2.90 -1.16 -1.02 0.55 0.00 -1.26 -4.94 121.76 111.03 2khr s ALA 37 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 51.96 51.90 2khr s ALA 37 Cb 0.00 0.86 0.00 0.00 0.00 0.00 0.00 23.12 23.98 2khr s ALA 37 CO 0.00 -0.84 0.00 0.41 0.00 0.00 0.00 175.76 175.33 2khr n GLY 38 N -0.37 -0.05 3.86 0.00 0.00 -1.26 -5.01 105.19 102.36 2khr n GLY 38 Ca -0.11 -0.40 -0.21 0.00 0.00 0.00 0.00 46.02 45.30 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 -2.58 3.11 -0.04 1.61 1.48 -1.26 -4.56 118.94 116.70 2khr s TRP 39 Ca 0.00 -0.15 -0.02 0.00 -1.06 0.00 0.00 56.10 54.88 2khr s TRP 39 Cb 0.00 -1.54 0.03 0.00 -1.16 0.00 0.00 33.47 30.80 2khr s TRP 39 CO 0.00 0.41 0.05 0.50 -4.06 0.00 0.00 176.95 173.85 2khr s ARG 40 N -3.91 0.01 -0.37 3.25 6.06 -0.07 -4.99 118.95 118.93 2khr s ARG 40 Ca 0.35 0.32 -0.19 0.00 -2.50 0.00 0.00 55.73 53.71 2khr s ARG 40 Cb -0.08 -0.53 0.00 0.00 0.06 0.00 0.00 34.95 34.41 2khr s ARG 40 CO 0.26 -0.30 0.56 0.08 -2.50 0.00 0.00 175.30 173.40 2khr s VAL 41 N 1.99 4.96 0.00 7.11 1.01 -1.26 -0.17 120.40 134.03 2khr s VAL 41 Ca 0.03 0.36 -0.18 0.00 0.00 0.00 0.00 61.98 62.18 2khr s VAL 41 Cb -0.12 -4.03 -0.33 0.00 0.00 0.00 0.00 36.38 31.90 2khr s VAL 41 CO -0.03 -0.30 0.97 0.58 0.00 0.00 0.00 175.10 176.32 2khr h VAL 42 N 5.67 1.38 -3.40 2.92 2.07 -1.48 -3.46 116.25 119.95 2khr h VAL 42 Ca -0.27 -2.58 -0.20 0.00 0.82 0.00 0.00 66.70 64.48 2khr h VAL 42 Cb 1.12 3.05 -0.27 0.00 -1.52 0.00 0.00 31.29 33.67 2khr h VAL 42 CO 0.81 0.76 -0.56 -1.00 0.02 0.00 0.00 177.57 177.59 2khr s HIS 43 N -2.61 -0.15 0.00 1.57 3.76 -1.23 -5.02 115.29 111.62 2khr s HIS 43 Ca -0.11 0.37 0.00 0.00 -0.15 0.00 0.00 55.06 55.17 2khr s HIS 43 Cb 0.03 0.04 0.00 0.00 1.11 0.00 0.00 32.58 33.76 2khr s HIS 43 CO 0.89 -0.08 0.00 0.41 -0.85 0.00 0.00 174.74 175.12 2khr n GLY 44 N 3.09 0.16 3.44 -2.22 0.00 -1.26 -0.35 105.19 108.04 2khr n GLY 44 Ca -0.13 -0.63 -0.44 0.00 0.00 0.00 0.00 46.02 44.82 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 0.00 3.18 0.36 1.61 4.04 -1.23 -3.93 118.70 122.73 2khr s GLU 45 Ca 0.00 -1.10 0.09 0.00 0.04 0.00 0.00 54.97 54.00 2khr s GLU 45 Cb 0.00 -4.36 -0.07 0.00 0.02 0.00 0.00 34.13 29.73 2khr s GLU 45 CO 0.00 -1.75 -0.08 0.00 -1.84 0.00 0.00 175.26 171.59 2khr s ALA 46 N 3.53 2.99 -0.07 -0.84 0.00 -1.26 -5.00 121.76 121.11 2khr s ALA 46 Ca 0.22 -2.13 -0.41 0.00 0.00 0.00 0.00 51.96 49.64 2khr s ALA 46 Cb -0.16 -0.00 -0.20 0.00 0.00 0.00 0.00 23.12 22.76 2khr s ALA 46 CO 0.06 0.04 1.16 0.43 0.00 0.00 0.00 175.76 177.45 2khr n SER 47 N -0.82 0.24 -0.24 0.00 7.64 -1.26 -4.64 113.62 114.53 2khr n SER 47 Ca -0.05 1.16 0.03 0.00 1.01 0.00 0.00 58.87 61.03 2khr n SER 47 Cb 0.64 -0.93 0.16 0.00 -1.01 0.00 0.00 64.21 63.08 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 3.37 0.44 -0.63 1.43 9.65 -1.97 0.10 114.38 126.77 2khr h ARG 48 Ca -0.50 -0.03 0.03 0.00 -1.10 0.00 0.00 59.98 58.38 2khr h ARG 48 Cb 1.42 -0.10 -0.04 0.00 -1.39 0.00 0.00 29.97 29.86 2khr h ARG 48 CO 0.70 0.29 0.39 0.00 2.80 0.00 0.00 179.97 184.15 2khr h ALA 49 N 1.50 0.82 -0.36 2.80 0.00 -1.99 -1.26 119.26 120.77 2khr h ALA 49 Ca 0.38 -0.02 -0.12 0.00 0.00 0.00 0.00 54.91 55.15 2khr h ALA 49 Cb 0.54 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 2khr h ALA 49 CO -0.37 0.13 -0.28 0.00 0.00 0.00 0.00 179.25 178.74 2khr h ALA 50 N 1.28 0.84 -0.14 0.00 0.00 -1.28 0.27 119.26 120.23 2khr h ALA 50 Ca 0.26 -0.39 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 2khr h ALA 50 Cb 0.03 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 2khr h ALA 50 CO -0.11 0.64 0.03 0.00 0.00 0.00 0.00 179.25 179.81 2khr h LEU 52 N 0.02 0.70 -0.58 0.00 3.38 -1.09 -1.12 115.31 116.63 2khr h LEU 52 Ca 0.04 -0.02 0.07 0.00 0.09 0.00 0.00 57.88 58.07 2khr h LEU 52 Cb 0.25 -0.17 -0.06 0.00 0.09 0.00 0.00 40.66 40.77 2khr h LEU 52 CO 0.00 0.50 0.25 -0.78 0.09 0.00 0.00 178.44 178.51 2khr h ASP 53 N 0.82 0.31 0.15 -0.43 3.58 -0.19 0.43 116.42 121.09 2khr h ASP 53 Ca 0.23 0.05 -0.01 0.00 0.42 0.00 0.00 57.03 57.72 2khr h ASP 53 Cb -0.09 0.01 0.00 0.00 1.72 0.00 0.00 39.33 40.97 2khr h ASP 53 CO -0.05 0.20 -0.07 0.22 -2.88 0.00 0.00 179.24 176.66 2khr h TYR 54 N 0.47 -0.18 -0.41 0.28 3.20 -0.13 -0.91 116.97 119.29 2khr h TYR 54 Ca 0.27 -0.00 -0.15 0.00 3.14 0.00 0.00 58.73 61.99 2khr h TYR 54 Cb 0.27 0.06 -0.01 0.00 1.54 0.00 0.00 36.73 38.59 2khr h TYR 54 CO -0.13 -0.07 -0.35 -0.39 -1.64 0.00 0.00 178.16 175.58 2khr h VAL 55 N -0.25 1.27 -0.20 1.81 -1.51 -0.85 -2.84 116.25 113.67 2khr h VAL 55 Ca -0.02 -1.52 -0.21 0.00 -1.23 0.00 0.00 66.70 63.72 2khr h VAL 55 Cb 0.20 1.33 0.01 0.00 -2.13 0.00 0.00 31.29 30.69 2khr h VAL 55 CO 0.03 0.51 -0.68 -0.33 -1.23 0.00 0.00 177.57 175.87 2khr h GLU 56 N 0.78 0.82 0.00 5.19 4.39 -0.90 -2.90 114.58 121.96 2khr h GLU 56 Ca 0.07 -0.61 0.00 0.00 0.34 0.00 0.00 59.36 59.16 2khr h GLU 56 Cb 0.94 0.11 0.00 0.00 -0.10 0.00 0.00 28.75 29.70 2khr h GLU 56 CO 0.09 1.23 0.00 1.63 -1.16 0.00 0.00 179.01 180.80 2khr n LYS 57 N -3.98 0.19 0.29 2.33 5.02 -0.35 -1.08 118.16 120.58 2khr n LYS 57 Ca -0.06 0.41 0.18 0.00 -2.02 0.00 0.00 58.31 56.82 2khr n LYS 57 Cb 0.70 -1.85 0.78 0.00 -0.02 0.00 0.00 35.03 34.64 2khr n LYS 57 CO 0.00 0.00 0.00 -0.91 -0.52 0.00 0.00 177.40 175.97 2khr h ASN 58 N 0.00 0.00 -6.02 4.39 -0.26 -1.28 -3.47 115.58 108.94 2khr h ASN 58 Ca 0.00 0.00 -0.41 0.00 -0.56 0.00 0.00 56.30 55.33 2khr h ASN 58 Cb 0.37 0.00 0.07 0.00 -1.06 0.00 0.00 38.32 37.70 2khr h ASN 58 CO 0.00 0.00 -0.77 0.79 -1.06 0.00 0.00 177.43 176.39 2khr n TRP 59 N -3.09 -2.27 -2.85 1.19 7.02 -0.24 -4.93 117.44 112.27 2khr n TRP 59 Ca -0.00 0.91 -0.43 0.00 -1.02 0.00 0.00 57.50 56.97 2khr n TRP 59 Cb 0.26 -4.54 -0.04 0.00 -2.42 0.00 0.00 31.31 24.57 2khr n TRP 59 CO 0.00 0.00 0.00 0.95 -2.02 0.00 0.00 177.69 176.62 2khr s THR 60 N -3.44 4.58 0.70 -0.99 -4.23 -1.26 -5.04 115.64 105.96 2khr s THR 60 Ca 0.30 0.96 -0.05 0.00 -1.18 0.00 0.00 61.69 61.71 2khr s THR 60 Cb -0.14 -4.34 0.08 0.00 1.34 0.00 0.00 72.50 69.44 2khr s THR 60 CO 0.79 -0.61 1.00 -0.62 -0.54 0.00 0.00 174.62 174.63 2khr s ASP 61 N 2.00 4.67 -0.16 3.99 2.15 -1.26 -4.80 116.67 123.26 2khr s ASP 61 Ca 0.36 0.25 -0.00 0.00 0.43 0.00 0.00 52.55 53.59 2khr s ASP 61 Cb -0.12 -0.85 0.00 0.00 -0.30 0.00 0.00 42.92 41.66 2khr s ASP 61 CO 0.21 -1.66 0.00 0.18 -0.17 0.00 0.00 175.17 173.73 2khr n LEU 62 N -2.89 -5.19 -4.27 -1.34 7.99 -1.26 -5.08 117.00 104.96 2khr n LEU 62 Ca 0.10 0.78 -0.15 0.00 -0.01 0.00 0.00 56.01 56.73 2khr n LEU 62 Cb 0.60 -2.25 -0.10 0.00 -0.11 0.00 0.00 43.42 41.56 2khr n LEU 62 CO 0.49 -1.73 -0.29 -0.13 -1.51 0.00 0.00 177.39 174.23 2khr s ARG 63 N -0.87 1.25 -0.30 3.23 0.52 -1.26 -4.95 118.95 116.57 2khr s ARG 63 Ca -0.00 -1.64 -0.28 0.00 -0.52 0.00 0.00 55.73 53.29 2khr s ARG 63 Cb 0.00 -0.20 -0.04 0.00 0.52 0.00 0.00 34.95 35.23 2khr s ARG 63 CO 0.42 -0.23 2.10 -1.25 0.02 0.00 0.00 175.30 176.35 2khr s PRO 64 N -4.00 3.06 -0.38 3.54 0.04 -1.26 -4.87 135.00 131.13 2khr s PRO 64 Ca 0.32 1.72 -0.30 0.00 0.04 0.00 0.00 61.00 62.78 2khr s PRO 64 Cb 0.07 -4.34 -0.08 0.00 0.04 0.00 0.00 34.50 30.18 2khr s PRO 64 CO 0.09 -2.19 2.30 1.17 0.04 0.00 0.00 177.00 178.41 2khr n LYS 65 N 8.71 1.32 -2.66 4.56 4.81 -1.26 -4.85 118.16 128.79 2khr n LYS 65 Ca 0.28 0.28 -0.42 0.00 -0.87 0.00 0.00 58.31 57.57 2khr n LYS 65 Cb 0.47 -2.97 -0.02 0.00 0.02 0.00 0.00 35.03 32.53 2khr n LYS 65 CO 0.00 0.00 0.00 -1.12 1.17 0.00 0.00 177.40 177.45 2khr s SER 66 N 9.22 6.64 -0.14 3.14 0.01 -1.26 -4.91 113.70 126.39 2khr s SER 66 Ca 1.05 -1.90 -0.11 0.00 1.31 0.00 0.00 55.95 56.31 2khr s SER 66 Cb -0.50 -2.53 0.04 0.00 0.21 0.00 0.00 66.02 63.25 2khr s SER 66 CO 0.37 -1.30 0.37 -0.22 0.41 0.00 0.00 173.24 172.87 2khr s LEU 67 N 4.15 0.35 0.00 2.44 2.96 -1.26 -4.70 118.68 122.62 2khr s LEU 67 Ca 0.45 0.77 0.00 0.00 -0.22 0.00 0.00 54.13 55.13 2khr s LEU 67 Cb -0.00 1.23 0.00 0.00 0.50 0.00 0.00 46.19 47.92 2khr s LEU 67 CO -0.05 -0.15 0.00 -2.11 -1.32 0.00 0.00 176.35 172.72 2khr n ARG 68 N 3.49 0.39 -3.63 1.98 1.85 -1.26 -5.08 116.66 114.40 2khr n ARG 68 Ca -0.18 0.00 -0.12 0.00 -1.00 0.00 0.00 57.85 56.55 2khr n ARG 68 Cb 0.56 -0.99 -0.07 0.00 -1.05 0.00 0.00 32.46 30.91 2khr n ARG 68 CO 0.00 0.00 0.00 0.34 -0.01 0.00 0.00 177.63 177.96 2khr s ASP 69 N -3.89 -0.72 -0.27 2.89 2.15 -1.26 -5.14 116.67 110.44 2khr s ASP 69 Ca 0.00 1.35 -0.24 0.00 0.43 0.00 0.00 52.55 54.09 2khr s ASP 69 Cb 0.00 1.36 -0.00 0.00 -0.30 0.00 0.00 42.92 43.98 2khr s ASP 69 CO 0.00 -0.23 0.81 0.00 -0.17 0.00 0.00 175.17 175.58 2khr s ALA 70 N 0.50 3.61 -0.27 3.66 0.00 -1.26 -5.02 121.76 122.98 2khr s ALA 70 Ca -0.01 -0.24 0.02 0.00 0.00 0.00 0.00 51.96 51.74 2khr s ALA 70 Cb -0.05 -3.29 0.07 0.00 0.00 0.00 0.00 23.12 19.85 2khr s ALA 70 CO -0.02 -1.02 -0.05 1.41 0.00 0.00 0.00 175.76 176.07 2khr s MET 71 N 2.88 1.80 -0.12 0.00 1.75 -1.26 -5.00 119.30 119.35 2khr s MET 71 Ca 0.34 -1.29 -0.08 0.00 -1.25 0.00 0.00 55.69 53.40 2khr s MET 71 Cb -0.15 -2.79 -0.03 0.00 2.84 0.00 0.00 34.83 34.71 2khr s MET 71 CO 0.09 -0.67 -0.16 0.28 -0.65 0.00 0.00 175.02 173.92 2khr n VAL 72 N 4.51 1.19 -4.00 10.11 0.31 -1.26 -5.00 118.33 124.20 2khr n VAL 72 Ca -0.10 0.26 -0.13 0.00 -0.01 0.00 0.00 64.34 64.37 2khr n VAL 72 Cb 0.43 -2.25 -0.13 0.00 -0.91 0.00 0.00 33.84 30.98 2khr n VAL 72 CO 0.00 0.00 0.00 -1.83 -1.32 0.00 0.00 176.83 173.68 2khr s GLU 73 N -2.08 0.24 0.00 5.55 4.04 -1.26 -5.23 118.70 119.96 2khr s GLU 73 Ca -0.13 -0.25 0.00 0.00 0.04 0.00 0.00 54.97 54.63 2khr s GLU 73 Cb 0.02 -0.14 0.00 0.00 0.02 0.00 0.00 34.13 34.03 2khr s GLU 73 CO 0.20 0.03 0.09 -0.40 -1.84 0.00 0.00 175.26 173.34