#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kdn n GLY 2 N 0.00 1.46 2.87 3.03 0.00 -1.26 -4.69 105.19 106.60 2kdn n GLY 2 Ca 0.00 -0.53 -0.15 0.00 0.00 0.00 0.00 46.02 45.34 2kdn n GLY 2 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2kdn s SER 3 N -4.00 0.23 -1.12 1.61 0.15 -1.26 -5.09 113.70 104.22 2kdn s SER 3 Ca 0.00 0.27 -0.19 0.00 0.70 0.00 0.00 55.95 56.73 2kdn s SER 3 Cb 0.00 0.17 0.10 0.00 -1.71 0.00 0.00 66.02 64.58 2kdn s SER 3 CO 0.00 -0.18 1.47 -0.44 1.20 0.00 0.00 173.24 175.29 2kdn s SER 4 N 1.55 6.74 -0.71 5.45 0.01 -1.26 -4.87 113.70 120.61 2kdn s SER 4 Ca -0.05 -2.18 0.05 0.00 1.31 0.00 0.00 55.95 55.08 2kdn s SER 4 Cb -0.12 -2.51 0.17 0.00 0.21 0.00 0.00 66.02 63.78 2kdn s SER 4 CO -0.05 -1.17 0.51 -1.00 0.41 0.00 0.00 173.24 171.94 2kdn s HIS 5 N 3.62 3.59 -0.33 2.43 4.02 -1.26 -4.95 115.29 122.42 2kdn s HIS 5 Ca 0.45 -3.32 0.05 0.00 1.02 0.00 0.00 55.06 53.26 2kdn s HIS 5 Cb -0.00 -2.75 0.18 0.00 -1.02 0.00 0.00 32.58 28.99 2kdn s HIS 5 CO -0.02 -0.56 0.54 -3.38 1.02 0.00 0.00 174.74 172.34 2kdn s HIS 6 N -1.43 -1.50 -0.14 1.40 -3.43 -1.26 -5.15 115.29 103.77 2kdn s HIS 6 Ca 0.25 0.53 -0.14 0.00 -0.80 0.00 0.00 55.06 54.89 2kdn s HIS 6 Cb -0.05 0.15 -0.05 0.00 -1.43 0.00 0.00 32.58 31.20 2kdn s HIS 6 CO -0.16 -1.08 0.33 -1.58 -2.00 0.00 0.00 174.74 170.25 2kdn s HIS 7 N 2.38 3.49 -0.03 0.38 5.04 -1.26 -5.05 115.29 120.24 2kdn s HIS 7 Ca 0.12 0.67 -0.01 0.00 -1.54 0.00 0.00 55.06 54.31 2kdn s HIS 7 Cb -0.09 -2.36 0.03 0.00 0.04 0.00 0.00 32.58 30.20 2kdn s HIS 7 CO -0.20 0.27 0.03 -1.01 -2.34 0.00 0.00 174.74 171.49 2kdn s HIS 8 N 0.33 0.13 -1.40 3.88 3.76 -1.26 -5.06 115.29 115.67 2kdn s HIS 8 Ca 0.19 0.13 -0.14 0.00 -0.15 0.00 0.00 55.06 55.09 2kdn s HIS 8 Cb -0.14 -0.37 0.07 0.00 1.11 0.00 0.00 32.58 33.25 2kdn s HIS 8 CO 0.06 -0.14 2.08 1.58 -0.85 0.00 0.00 174.74 177.46 2kdn n HIS 9 N 4.56 3.61 -2.14 1.40 -0.00 -1.26 -4.94 115.22 116.44 2kdn n HIS 9 Ca -0.19 -2.94 -0.27 0.00 0.46 0.00 0.00 57.72 54.78 2kdn n HIS 9 Cb 0.50 -2.44 0.12 0.00 -0.12 0.00 0.00 29.99 28.05 2kdn n HIS 9 CO 0.00 0.00 0.00 -3.38 0.46 0.00 0.00 176.34 173.42 2kdn s HIS 10 N 2.72 2.18 0.06 1.57 -3.43 -1.26 -4.97 115.29 112.16 2kdn s HIS 10 Ca 0.46 0.29 -0.34 0.00 -0.80 0.00 0.00 55.06 54.67 2kdn s HIS 10 Cb 0.11 -3.53 -0.14 0.00 -1.43 0.00 0.00 32.58 27.60 2kdn s HIS 10 CO -0.05 -1.96 1.65 0.43 -2.00 0.00 0.00 174.74 172.81 2kdn n SER 11 N -3.26 3.04 -4.56 7.38 7.64 -1.26 -4.86 113.62 117.74 2kdn n SER 11 Ca 0.12 1.05 -0.39 0.00 1.01 0.00 0.00 58.87 60.67 2kdn n SER 11 Cb 0.60 -1.38 -0.03 0.00 -1.01 0.00 0.00 64.21 62.39 2kdn n SER 11 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2kdn s SER 12 N 1.92 6.28 0.00 6.43 0.01 -1.26 -3.94 113.70 123.13 2kdn s SER 12 Ca 0.84 -1.46 0.00 0.00 1.31 0.00 0.00 55.95 56.64 2kdn s SER 12 Cb -0.72 -2.57 0.00 0.00 0.21 0.00 0.00 66.02 62.94 2kdn s SER 12 CO 0.44 -1.72 0.00 0.61 0.41 0.00 0.00 173.24 172.98 2kdn n GLY 13 N 6.65 -1.96 0.31 3.44 0.00 -1.26 -4.84 105.19 107.53 2kdn n GLY 13 Ca 0.37 0.64 0.14 0.00 0.00 0.00 0.00 46.02 47.17 2kdn n GLY 13 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 2kdn h ARG 14 N 0.00 0.00 -0.20 1.61 0.11 -1.99 -3.10 114.38 110.81 2kdn h ARG 14 Ca 0.00 0.00 -0.20 0.00 0.10 0.00 0.00 59.98 59.88 2kdn h ARG 14 Cb 0.00 0.00 -0.33 0.00 1.11 0.00 0.00 29.97 30.75 2kdn h ARG 14 CO 0.00 0.00 -0.86 -0.85 0.10 0.00 0.00 179.97 178.36 2kdn n GLU 15 N -4.15 1.08 0.02 0.08 0.28 -1.25 -4.87 120.64 111.83 2kdn n GLU 15 Ca 0.01 -2.47 0.11 0.00 -0.16 0.00 0.00 57.16 54.64 2kdn n GLU 15 Cb 0.26 -0.64 -0.10 0.00 1.43 0.00 0.00 31.44 32.39 2kdn n GLU 15 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 177.13 177.24 2kdn n ASN 16 N -0.46 0.37 -0.12 -1.84 0.23 -1.17 -4.16 115.26 108.11 2kdn n ASN 16 Ca -0.01 -0.02 0.08 0.00 -0.53 0.00 0.00 54.58 54.10 2kdn n ASN 16 Cb 0.89 1.37 0.43 0.00 -2.08 0.00 0.00 39.78 40.40 2kdn n ASN 16 CO 0.00 0.00 0.00 0.18 -0.93 0.00 0.00 177.26 176.51 2kdn n LEU 17 N -2.26 0.36 0.00 -4.53 7.99 -1.26 -4.62 117.00 112.68 2kdn n LEU 17 Ca -0.02 -0.16 -0.27 0.00 -0.01 0.00 0.00 56.01 55.55 2kdn n LEU 17 Cb 0.53 -0.03 0.19 0.00 -0.11 0.00 0.00 43.42 44.00 2kdn n LEU 17 CO 0.43 0.08 0.81 -1.22 -1.51 0.00 0.00 177.39 175.98 2kdn n TYR 18 N -0.51 -3.87 0.47 -1.77 4.02 -1.26 -4.93 117.16 109.31 2kdn n TYR 18 Ca 0.12 -1.20 0.06 0.00 -0.01 0.00 0.00 57.90 56.88 2kdn n TYR 18 Cb 0.11 -0.95 0.27 0.00 -0.02 0.00 0.00 39.34 38.75 2kdn n TYR 18 CO 0.00 0.00 0.00 1.97 -1.01 0.00 0.00 176.86 177.82 2kdn n PHE 19 N -3.64 0.00 0.51 -0.72 1.16 -1.26 -2.32 117.46 111.18 2kdn n PHE 19 Ca 0.16 0.00 0.12 0.00 -1.87 0.00 0.00 57.45 55.86 2kdn n PHE 19 Cb 0.56 -0.42 0.46 0.00 -1.61 0.00 0.00 39.48 38.46 2kdn n PHE 19 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 2kdn n GLN 20 N -1.42 0.21 -2.71 3.97 0.00 -1.26 -4.09 117.38 112.07 2kdn n GLN 20 Ca 0.04 0.32 -0.43 0.00 0.00 0.00 0.00 57.00 56.93 2kdn n GLN 20 Cb 0.12 -1.83 0.00 0.00 0.00 0.00 0.00 30.24 28.54 2kdn n GLN 20 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2kdn n GLY 21 N 0.56 4.35 0.00 2.61 0.00 -0.98 -4.94 105.19 106.78 2kdn n GLY 21 Ca 0.04 -2.20 0.00 0.00 0.00 0.00 0.00 46.02 43.86 2kdn n GLY 21 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2kdn n HIS 22 N 3.93 0.00 -1.62 1.61 8.25 -1.26 -5.02 115.22 121.12 2kdn n HIS 22 Ca 0.35 0.00 -0.50 0.00 -0.26 0.00 0.00 57.72 57.31 2kdn n HIS 22 Cb 0.38 0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.44 2kdn n HIS 22 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2kdn n MET 23 N 0.00 1.44 -3.61 -0.41 0.00 -1.26 -4.59 117.12 108.70 2kdn n MET 23 Ca 0.00 0.52 -0.01 0.00 0.00 0.00 0.00 57.70 58.21 2kdn n MET 23 Cb 0.00 -2.21 -0.01 0.00 0.00 0.00 0.00 33.22 31.00 2kdn n MET 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2kdn h ILE 25 N 2.00 1.17 -0.74 0.00 6.09 -2.00 0.13 117.51 124.17 2kdn h ILE 25 Ca -0.18 -0.39 -0.05 0.00 -1.37 0.00 0.00 64.86 62.87 2kdn h ILE 25 Cb 1.18 -0.07 -0.03 0.00 0.47 0.00 0.00 36.82 38.37 2kdn h ILE 25 CO 0.25 0.21 0.27 -0.61 -3.07 0.00 0.00 178.15 175.19 2kdn h GLN 26 N 1.14 1.11 -0.15 2.19 -0.00 -1.95 -2.55 115.11 114.89 2kdn h GLN 26 Ca 0.35 -0.21 -0.12 0.00 -0.00 0.00 0.00 58.65 58.66 2kdn h GLN 26 Cb -0.02 -0.18 -0.01 0.00 0.00 0.00 0.00 27.48 27.27 2kdn h GLN 26 CO -0.10 0.92 -0.44 -0.22 0.00 0.00 0.00 178.83 178.99 2kdn h LYS 27 N 1.08 0.37 0.15 1.69 1.63 -1.43 0.71 116.57 120.77 2kdn h LYS 27 Ca 0.24 -0.19 0.01 0.00 -0.85 0.00 0.00 60.65 59.86 2kdn h LYS 27 Cb 0.24 0.01 -0.02 0.00 -0.60 0.00 0.00 32.23 31.86 2kdn h LYS 27 CO -0.02 0.74 -0.17 0.28 -3.45 0.00 0.00 179.45 176.83 2kdn h VAL 28 N 0.30 0.62 -0.23 2.00 2.07 -0.40 0.13 116.25 120.74 2kdn h VAL 28 Ca 0.02 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.48 2kdn h VAL 28 Cb 0.90 0.62 -0.01 0.00 -1.52 0.00 0.00 31.29 31.28 2kdn h VAL 28 CO 0.07 0.00 -0.09 0.40 0.02 0.00 0.00 177.57 177.97 2kdn h ILE 29 N -0.36 1.30 0.22 4.57 5.03 -1.37 -2.12 117.51 124.77 2kdn h ILE 29 Ca 0.01 -1.15 -0.01 0.00 -0.12 0.00 0.00 64.86 63.59 2kdn h ILE 29 Cb 0.35 1.56 0.00 0.00 -3.03 0.00 0.00 36.82 35.71 2kdn h ILE 29 CO -0.06 0.35 -0.10 -0.08 -0.68 0.00 0.00 178.15 177.58 2kdn h GLU 30 N 0.19 -0.28 0.00 2.37 4.22 -0.76 -2.47 114.58 117.85 2kdn h GLU 30 Ca 0.05 0.02 -0.07 0.00 0.08 0.00 0.00 59.36 59.44 2kdn h GLU 30 Cb 0.58 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.88 2kdn h GLU 30 CO 0.03 -0.13 -0.34 0.22 -2.18 0.00 0.00 179.01 176.61 2kdn h ASP 31 N -0.36 0.00 0.50 1.04 3.58 -0.81 0.92 116.42 121.30 2kdn h ASP 31 Ca -0.03 0.00 -0.02 0.00 0.42 0.00 0.00 57.03 57.40 2kdn h ASP 31 Cb 0.28 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.33 2kdn h ASP 31 CO 0.05 0.34 -0.24 0.11 -2.88 0.00 0.00 179.24 176.62 2kdn h LYS 32 N 0.00 -0.65 -0.00 0.28 1.79 -1.10 -0.19 116.57 116.71 2kdn h LYS 32 Ca -0.00 0.04 -0.15 0.00 -2.18 0.00 0.00 60.65 58.36 2kdn h LYS 32 Cb 0.74 0.15 -0.02 0.00 -1.58 0.00 0.00 32.23 31.52 2kdn h LYS 32 CO 0.04 -0.38 -0.71 1.37 -1.08 0.00 0.00 179.45 178.69 2kdn h LEU 33 N -0.80 0.01 0.13 2.94 8.10 -1.34 -2.62 115.31 121.73 2kdn h LEU 33 Ca -0.07 -0.01 -0.01 0.00 0.11 0.00 0.00 57.88 57.91 2kdn h LEU 33 Cb 0.57 -0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.79 2kdn h LEU 33 CO 0.11 0.72 -0.06 -1.28 -4.11 0.00 0.00 178.44 173.82 2kdn h SER 34 N 0.01 -0.15 0.72 0.17 0.87 -0.76 -0.05 113.55 114.36 2kdn h SER 34 Ca -0.01 -0.16 -0.09 0.00 -1.23 0.00 0.00 61.79 60.31 2kdn h SER 34 Cb 1.26 0.04 -0.01 0.00 -0.44 0.00 0.00 62.40 63.25 2kdn h SER 34 CO 0.09 0.07 -0.41 0.28 -0.53 0.00 0.00 176.83 176.34 2kdn h SER 35 N -0.37 0.00 0.07 6.23 0.02 -1.08 0.26 113.55 118.69 2kdn h SER 35 Ca -0.02 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.93 2kdn h SER 35 Cb 0.30 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.84 2kdn h SER 35 CO 0.03 0.41 -0.04 0.00 -1.14 0.00 0.00 176.83 176.09 2kdn h ALA 36 N 1.59 -0.10 0.11 3.77 0.00 -1.34 -3.37 119.26 119.92 2kdn h ALA 36 Ca -0.00 -0.27 -0.29 0.00 0.00 0.00 0.00 54.91 54.34 2kdn h ALA 36 Cb 0.88 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.70 2kdn h ALA 36 CO 0.05 -0.15 -1.45 -0.07 0.00 0.00 0.00 179.25 177.63 2kdn h LEU 37 N -0.91 0.35 -2.31 0.00 3.38 -1.05 -3.50 115.31 111.27 2kdn h LEU 37 Ca -0.01 -0.46 0.00 0.00 0.09 0.00 0.00 57.88 57.50 2kdn h LEU 37 Cb 0.57 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.21 2kdn h LEU 37 CO 0.02 1.38 -0.67 0.29 0.09 0.00 0.00 178.44 179.54 2kdn n LYS 38 N -3.44 -2.62 -3.44 1.13 5.02 0.93 -4.93 118.16 110.81 2kdn n LYS 38 Ca -0.14 2.24 -0.25 0.00 -2.02 0.00 0.00 58.31 58.14 2kdn n LYS 38 Cb 1.03 -4.92 -0.02 0.00 -0.02 0.00 0.00 35.03 31.10 2kdn n LYS 38 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 2kdn s PRO 39 N -1.83 3.52 0.16 1.97 0.04 -1.26 -4.68 135.00 132.93 2kdn s PRO 39 Ca 0.09 -0.27 0.08 0.00 0.04 0.00 0.00 61.00 60.94 2kdn s PRO 39 Cb -0.03 -2.70 -0.09 0.00 0.04 0.00 0.00 34.50 31.73 2kdn s PRO 39 CO 0.67 0.21 1.35 1.79 0.04 0.00 0.00 177.00 181.06 2kdn h THR 40 N 1.03 1.59 -3.48 1.26 1.35 -0.81 -3.45 112.91 110.40 2kdn h THR 40 Ca -0.49 -3.11 -0.25 0.00 -0.55 0.00 0.00 66.41 62.02 2kdn h THR 40 Cb 1.21 2.70 -0.30 0.00 -1.73 0.00 0.00 68.15 70.02 2kdn h THR 40 CO 0.64 0.87 -0.66 0.12 -0.25 0.00 0.00 175.52 176.24 2kdn s PHE 41 N -2.87 -0.06 -0.14 4.73 5.36 -1.02 -5.04 117.98 118.94 2kdn s PHE 41 Ca 0.01 0.24 -0.04 0.00 -0.96 0.00 0.00 56.93 56.18 2kdn s PHE 41 Cb 0.10 -0.08 0.06 0.00 -0.34 0.00 0.00 43.02 42.76 2kdn s PHE 41 CO 0.80 -0.08 0.10 -1.17 -1.46 0.00 0.00 175.22 173.41 2kdn s LEU 42 N 0.64 0.24 -0.19 6.12 1.98 -1.26 -1.00 118.68 125.20 2kdn s LEU 42 Ca -0.05 -0.38 -0.02 0.00 -2.89 0.00 0.00 54.13 50.79 2kdn s LEU 42 Cb -0.07 -0.14 -0.01 0.00 0.66 0.00 0.00 46.19 46.64 2kdn s LEU 42 CO -0.02 -0.32 -0.08 -0.70 -1.89 0.00 0.00 176.35 173.33 2kdn s GLU 43 N 2.17 3.34 -0.34 1.98 2.12 -0.60 -4.97 118.70 122.40 2kdn s GLU 43 Ca 0.03 -0.66 -0.14 0.00 0.36 0.00 0.00 54.97 54.56 2kdn s GLU 43 Cb -0.15 -2.87 -0.01 0.00 0.26 0.00 0.00 34.13 31.36 2kdn s GLU 43 CO -0.08 -0.10 0.33 -1.17 -0.54 0.00 0.00 175.26 173.70 2kdn s LEU 44 N 1.19 4.46 -0.09 2.70 1.98 -1.26 -0.42 118.68 127.23 2kdn s LEU 44 Ca 0.02 -0.28 0.01 0.00 -2.89 0.00 0.00 54.13 50.99 2kdn s LEU 44 Cb -0.14 -2.28 -0.02 0.00 0.66 0.00 0.00 46.19 44.40 2kdn s LEU 44 CO -0.03 -0.31 -0.11 -0.69 -1.89 0.00 0.00 176.35 173.32 2kdn s VAL 45 N 1.93 3.26 -0.25 1.68 1.01 -0.15 -4.86 120.40 123.02 2kdn s VAL 45 Ca 0.10 -0.62 -0.29 0.00 0.00 0.00 0.00 61.98 61.17 2kdn s VAL 45 Cb -0.17 -2.34 -0.03 0.00 0.00 0.00 0.00 36.38 33.85 2kdn s VAL 45 CO 0.11 0.56 1.75 -0.62 0.00 0.00 0.00 175.10 176.91 2kdn s ASP 46 N -0.24 6.12 0.14 3.32 2.15 -1.26 -0.49 116.67 126.41 2kdn s ASP 46 Ca 0.02 1.58 0.12 0.00 0.43 0.00 0.00 52.55 54.70 2kdn s ASP 46 Cb -0.13 -2.53 -0.11 0.00 -0.30 0.00 0.00 42.92 39.85 2kdn s ASP 46 CO 0.03 -1.48 1.18 0.50 -0.17 0.00 0.00 175.17 175.23 2kdn h LYS 47 N 11.89 0.00 -2.81 4.34 3.64 -1.34 -3.46 116.57 128.82 2kdn h LYS 47 Ca -0.35 0.00 -0.36 0.00 -1.27 0.00 0.00 60.65 58.66 2kdn h LYS 47 Cb 1.17 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 32.95 2kdn h LYS 47 CO 1.01 0.66 -0.44 0.43 -2.27 0.00 0.00 179.45 178.84 2kdn n SER 48 N -3.20 -5.17 -4.54 4.20 7.64 -1.25 -4.93 113.62 106.38 2kdn n SER 48 Ca -0.03 0.14 -0.43 0.00 1.01 0.00 0.00 58.87 59.56 2kdn n SER 48 Cb 0.87 -4.39 -0.05 0.00 -1.01 0.00 0.00 64.21 59.64 2kdn n SER 48 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2kdn n GLY 50 N 5.01 1.53 3.30 0.00 0.00 -1.26 -4.62 105.19 109.16 2kdn n GLY 50 Ca 0.03 -0.69 -0.12 0.00 0.00 0.00 0.00 46.02 45.23 2kdn n GLY 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kdn n GLY 52 N 0.39 0.31 3.56 0.00 0.00 -1.26 -4.65 105.19 103.54 2kdn n GLY 52 Ca -0.18 -0.95 -0.41 0.00 0.00 0.00 0.00 46.02 44.49 2kdn n GLY 52 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2kdn s THR 53 N 0.00 3.63 -0.20 2.61 -4.23 -1.26 -4.92 115.64 111.28 2kdn s THR 53 Ca 0.00 0.46 0.01 0.00 -1.18 0.00 0.00 61.69 60.97 2kdn s THR 53 Cb 0.00 -4.40 0.04 0.00 1.34 0.00 0.00 72.50 69.48 2kdn s THR 53 CO 0.00 -1.26 -0.09 -0.55 -0.54 0.00 0.00 174.62 172.18 2kdn s SER 54 N 5.34 3.36 -0.06 3.99 0.15 -1.26 -0.04 113.70 125.18 2kdn s SER 54 Ca 0.53 -0.89 0.04 0.00 0.70 0.00 0.00 55.95 56.33 2kdn s SER 54 Cb -0.11 -1.17 0.00 0.00 -1.71 0.00 0.00 66.02 63.03 2kdn s SER 54 CO 0.21 -0.16 -0.18 -0.36 1.20 0.00 0.00 173.24 173.95 2kdn s PHE 55 N 1.44 1.92 -0.25 3.44 0.08 -0.61 -0.91 117.98 123.08 2kdn s PHE 55 Ca -0.02 -0.66 -0.01 0.00 0.12 0.00 0.00 56.93 56.36 2kdn s PHE 55 Cb -0.16 -1.31 0.03 0.00 -0.57 0.00 0.00 43.02 41.01 2kdn s PHE 55 CO -0.08 -0.26 -0.06 0.34 -0.10 0.00 0.00 175.22 175.06 2kdn s ASP 56 N 0.26 4.36 -0.28 1.36 -1.08 0.36 -0.55 116.67 121.10 2kdn s ASP 56 Ca -0.10 -0.94 -0.08 0.00 -0.52 0.00 0.00 52.55 50.91 2kdn s ASP 56 Cb -0.14 -1.66 -0.02 0.00 -1.46 0.00 0.00 42.92 39.64 2kdn s ASP 56 CO 0.04 -0.14 0.10 0.00 0.52 0.00 0.00 175.17 175.69 2kdn s ALA 57 N 1.31 3.18 -0.46 3.66 0.00 -0.19 -0.97 121.76 128.28 2kdn s ALA 57 Ca -0.01 -1.26 -0.29 0.00 0.00 0.00 0.00 51.96 50.40 2kdn s ALA 57 Cb -0.17 -2.18 0.03 0.00 0.00 0.00 0.00 23.12 20.80 2kdn s ALA 57 CO -0.04 -0.69 1.12 0.08 0.00 0.00 0.00 175.76 176.22 2kdn s VAL 58 N 1.59 4.26 -0.29 0.00 1.01 0.44 -0.42 120.40 126.99 2kdn s VAL 58 Ca 0.05 1.25 -0.04 0.00 0.00 0.00 0.00 61.98 63.24 2kdn s VAL 58 Cb -0.16 -4.57 0.03 0.00 0.00 0.00 0.00 36.38 31.68 2kdn s VAL 58 CO 0.04 -0.94 0.02 -0.51 0.00 0.00 0.00 175.10 173.71 2kdn s ILE 59 N 4.32 3.29 -0.35 2.22 -1.16 0.51 -1.56 121.20 128.47 2kdn s ILE 59 Ca 0.47 -1.09 -0.06 0.00 -0.51 0.00 0.00 60.65 59.47 2kdn s ILE 59 Cb -0.08 -2.78 0.05 0.00 0.61 0.00 0.00 42.46 40.26 2kdn s ILE 59 CO 0.30 0.01 0.11 -0.69 -2.81 0.00 0.00 174.94 171.86 2kdn s VAL 60 N 1.35 3.68 0.04 4.00 1.01 -0.17 -0.50 120.40 129.82 2kdn s VAL 60 Ca -0.01 -1.26 -0.12 0.00 0.00 0.00 0.00 61.98 60.58 2kdn s VAL 60 Cb -0.18 -3.14 0.02 0.00 0.00 0.00 0.00 36.38 33.08 2kdn s VAL 60 CO -0.01 -0.24 0.27 -0.55 0.00 0.00 0.00 175.10 174.58 2kdn s SER 61 N 1.49 -0.08 0.56 3.32 0.15 -0.95 -0.01 113.70 118.18 2kdn s SER 61 Ca -0.01 -0.25 0.36 0.00 0.70 0.00 0.00 55.95 56.75 2kdn s SER 61 Cb -0.20 0.34 1.64 0.00 -1.71 0.00 0.00 66.02 66.09 2kdn s SER 61 CO 0.02 -0.60 2.07 0.78 1.20 0.00 0.00 173.24 176.70 2kdn h ASN 62 N 3.26 0.00 0.61 5.45 -0.26 -1.89 -2.65 115.58 120.09 2kdn h ASN 62 Ca -0.32 0.00 -0.05 0.00 -0.56 0.00 0.00 56.30 55.37 2kdn h ASN 62 Cb 1.20 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 38.45 2kdn h ASN 62 CO 0.47 0.00 -0.22 -0.55 -1.06 0.00 0.00 177.43 176.06 2kdn h ASN 63 N 0.00 0.00 0.91 5.81 7.08 -1.91 -1.01 115.58 126.46 2kdn h ASN 63 Ca 0.00 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.22 2kdn h ASN 63 Cb 0.34 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.58 2kdn h ASN 63 CO 0.00 0.22 -0.37 0.33 -2.08 0.00 0.00 177.43 175.54 2kdn n PHE 64 N -3.60 0.39 0.12 4.14 7.35 -1.00 -3.33 117.46 121.53 2kdn n PHE 64 Ca -0.01 0.11 0.03 0.00 -0.76 0.00 0.00 57.45 56.82 2kdn n PHE 64 Cb 0.36 -0.58 0.01 0.00 0.35 0.00 0.00 39.48 39.62 2kdn n PHE 64 CO 0.00 0.00 0.00 1.49 -0.76 0.00 0.00 176.76 177.49 2kdn h GLU 65 N 0.00 0.00 0.00 -4.13 4.57 -1.24 -2.71 114.58 111.06 2kdn h GLU 65 Ca 0.00 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.17 2kdn h GLU 65 Cb 0.64 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.23 2kdn h GLU 65 CO 0.00 0.41 -0.05 0.22 -1.18 0.00 0.00 179.01 178.41 2kdn h ASP 66 N 0.00 0.00 -1.29 1.04 1.82 -1.44 -3.46 116.42 113.09 2kdn h ASP 66 Ca -0.04 0.00 -0.32 0.00 -0.39 0.00 0.00 57.03 56.29 2kdn h ASP 66 Cb 1.38 0.00 -0.09 0.00 0.68 0.00 0.00 39.33 41.31 2kdn h ASP 66 CO 0.05 0.05 -0.33 1.17 -1.61 0.00 0.00 179.24 178.57 2kdn n LYS 67 N -3.21 -1.15 -2.97 0.28 4.81 -1.02 -4.94 118.16 109.95 2kdn n LYS 67 Ca -0.01 0.95 -0.44 0.00 -0.87 0.00 0.00 58.31 57.94 2kdn n LYS 67 Cb 0.26 -5.19 -0.02 0.00 0.02 0.00 0.00 35.03 30.10 2kdn n LYS 67 CO 0.00 0.00 0.00 0.15 1.17 0.00 0.00 177.40 178.72 2kdn s LYS 68 N -3.86 3.61 0.07 1.64 -0.14 -1.26 -4.87 119.74 114.93 2kdn s LYS 68 Ca 0.00 -1.86 -0.23 0.00 -1.36 0.00 0.00 55.97 52.52 2kdn s LYS 68 Cb 0.00 -4.86 -0.15 0.00 -1.68 0.00 0.00 37.83 31.13 2kdn s LYS 68 CO 0.00 -1.72 1.66 1.25 -0.76 0.00 0.00 175.35 175.79 2kdn h LEU 69 N 10.09 0.02 -1.51 3.17 6.46 -1.92 -1.43 115.31 130.19 2kdn h LEU 69 Ca 0.15 -0.08 -0.04 0.00 -0.12 0.00 0.00 57.88 57.79 2kdn h LEU 69 Cb 1.02 -0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 40.94 2kdn h LEU 69 CO 1.07 0.10 -0.10 0.17 -0.62 0.00 0.00 178.44 179.06 2kdn h LEU 70 N -0.06 0.18 -0.05 2.25 -0.00 -1.98 0.09 115.31 115.75 2kdn h LEU 70 Ca 0.01 -0.03 -0.09 0.00 -0.00 0.00 0.00 57.88 57.77 2kdn h LEU 70 Cb 0.08 -0.05 0.00 0.00 -0.00 0.00 0.00 40.66 40.70 2kdn h LEU 70 CO -0.00 0.31 -0.32 0.44 -0.00 0.00 0.00 178.44 178.87 2kdn h ASP 71 N 0.19 0.36 0.49 0.17 3.32 -1.88 0.12 116.42 119.18 2kdn h ASP 71 Ca 0.04 -0.68 -0.05 0.00 0.02 0.00 0.00 57.03 56.36 2kdn h ASP 71 Cb 0.30 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 39.74 2kdn h ASP 71 CO 0.02 0.98 -0.24 0.08 -1.72 0.00 0.00 179.24 178.36 2kdn h ARG 72 N -0.24 0.00 -0.06 3.56 -0.00 -1.13 -1.81 114.38 114.70 2kdn h ARG 72 Ca -0.03 0.00 -0.04 0.00 -0.00 0.00 0.00 59.98 59.92 2kdn h ARG 72 Cb 0.99 0.00 -0.00 0.00 -0.00 0.00 0.00 29.97 30.96 2kdn h ARG 72 CO 0.06 0.24 -0.10 1.25 -0.00 0.00 0.00 179.97 181.43 2kdn h HIS 73 N 0.00 0.22 -0.36 4.08 2.76 -0.85 -1.87 115.15 119.13 2kdn h HIS 73 Ca -0.00 -0.08 -0.05 0.00 -2.20 0.00 0.00 60.37 58.04 2kdn h HIS 73 Cb 0.55 -0.04 -0.02 0.00 1.55 0.00 0.00 27.41 29.45 2kdn h HIS 73 CO 0.00 0.68 0.03 0.07 -1.30 0.00 0.00 177.93 177.41 2kdn h ARG 74 N -0.30 0.56 0.01 5.26 0.11 -0.53 1.00 114.38 120.49 2kdn h ARG 74 Ca 0.01 -0.11 -0.00 0.00 0.10 0.00 0.00 59.98 59.97 2kdn h ARG 74 Cb 0.66 -0.08 0.00 0.00 1.11 0.00 0.00 29.97 31.66 2kdn h ARG 74 CO 0.02 0.56 -0.00 -0.07 0.10 0.00 0.00 179.97 180.58 2kdn h LEU 75 N 0.54 -0.01 -0.89 0.08 3.38 -1.36 -1.76 115.31 115.29 2kdn h LEU 75 Ca 0.12 -0.40 0.06 0.00 0.09 0.00 0.00 57.88 57.75 2kdn h LEU 75 Cb 0.30 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 40.99 2kdn h LEU 75 CO 0.01 0.39 0.56 0.58 0.09 0.00 0.00 178.44 180.07 2kdn h VAL 76 N -0.41 1.07 -0.37 1.22 2.07 -0.97 -1.26 116.25 117.60 2kdn h VAL 76 Ca -0.00 -0.35 -0.01 0.00 0.82 0.00 0.00 66.70 67.15 2kdn h VAL 76 Cb 0.40 -0.06 -0.02 0.00 -1.52 0.00 0.00 31.29 30.10 2kdn h VAL 76 CO 0.00 0.19 0.19 0.78 0.02 0.00 0.00 177.57 178.75 2kdn h ASN 77 N 1.03 0.48 -0.27 0.57 -0.26 -0.75 0.14 115.58 116.52 2kdn h ASN 77 Ca 0.38 -0.12 -0.04 0.00 -0.56 0.00 0.00 56.30 55.97 2kdn h ASN 77 Cb 0.15 -0.12 -0.01 0.00 -1.06 0.00 0.00 38.32 37.27 2kdn h ASN 77 CO -0.17 0.46 0.03 0.74 -1.06 0.00 0.00 177.43 177.43 2kdn h THR 78 N 0.47 1.24 0.01 2.81 2.02 -0.70 -1.18 112.91 117.57 2kdn h THR 78 Ca 0.13 -0.83 -0.00 0.00 0.77 0.00 0.00 66.41 66.48 2kdn h THR 78 Cb 0.10 1.25 0.00 0.00 -1.74 0.00 0.00 68.15 67.77 2kdn h THR 78 CO -0.02 0.27 -0.00 0.40 0.37 0.00 0.00 175.52 176.53 2kdn h ILE 79 N 0.27 1.58 0.00 3.11 2.04 -1.24 -3.31 117.51 119.96 2kdn h ILE 79 Ca 0.08 -1.97 0.00 0.00 1.00 0.00 0.00 64.86 63.97 2kdn h ILE 79 Cb 0.36 2.89 0.00 0.00 -0.74 0.00 0.00 36.82 39.33 2kdn h ILE 79 CO 0.01 0.50 0.00 0.18 0.00 0.00 0.00 178.15 178.83 2kdn n LEU 80 N -4.69 0.00 0.11 1.44 4.32 0.50 -2.40 117.00 116.28 2kdn n LEU 80 Ca -0.09 0.20 -0.11 0.00 -0.02 0.00 0.00 56.01 55.99 2kdn n LEU 80 Cb 0.40 -0.20 -0.06 0.00 -1.62 0.00 0.00 43.42 41.94 2kdn n LEU 80 CO 0.32 -0.03 0.51 0.50 -1.22 0.00 0.00 177.39 177.47 2kdn h LYS 81 N 0.00 -0.51 -0.00 3.23 1.63 -1.30 0.13 116.57 119.75 2kdn h LYS 81 Ca 0.00 0.04 -0.17 0.00 -0.85 0.00 0.00 60.65 59.67 2kdn h LYS 81 Cb 0.17 0.12 -0.02 0.00 -0.60 0.00 0.00 32.23 31.90 2kdn h LYS 81 CO 0.00 -0.34 -0.79 0.93 -3.45 0.00 0.00 179.45 175.80 2kdn h GLU 82 N -0.53 0.04 0.06 1.90 5.08 -1.78 -3.34 114.58 116.00 2kdn h GLU 82 Ca -0.02 -0.04 0.03 0.00 -1.00 0.00 0.00 59.36 58.33 2kdn h GLU 82 Cb 0.51 0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.73 2kdn h GLU 82 CO -0.14 0.81 -0.28 1.49 -1.00 0.00 0.00 179.01 179.89 2kdn h GLU 83 N 0.02 -0.44 -0.97 2.33 4.57 -1.27 -2.02 114.58 116.79 2kdn h GLU 83 Ca -0.01 0.03 0.27 0.00 -1.18 0.00 0.00 59.36 58.47 2kdn h GLU 83 Cb 1.39 0.10 -0.04 0.00 -0.16 0.00 0.00 28.75 30.04 2kdn h GLU 83 CO 0.11 -0.30 0.69 -0.07 -1.18 0.00 0.00 179.01 178.26 2kdn h LEU 84 N -0.46 0.06 -2.02 1.64 3.38 -0.85 -1.18 115.31 115.88 2kdn h LEU 84 Ca 0.05 0.01 0.14 0.00 0.09 0.00 0.00 57.88 58.16 2kdn h LEU 84 Cb 0.52 -0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.25 2kdn h LEU 84 CO -0.21 0.02 0.39 1.56 0.09 0.00 0.00 178.44 180.30 2kdn h GLN 85 N 0.06 0.00 -0.00 1.13 1.08 -1.51 0.36 115.11 116.22 2kdn h GLN 85 Ca 0.47 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.67 2kdn h GLN 85 Cb 1.77 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 29.20 2kdn h GLN 85 CO -0.04 0.00 -0.36 0.09 -0.95 0.00 0.00 178.83 177.57 2kdn n ASN 86 N -4.09 0.84 -4.50 1.46 3.02 -0.44 -4.88 115.26 106.66 2kdn n ASN 86 Ca 0.09 -0.66 -0.31 0.00 -0.03 0.00 0.00 54.58 53.67 2kdn n ASN 86 Cb 0.60 0.19 -0.12 0.00 -0.61 0.00 0.00 39.78 39.84 2kdn n ASN 86 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2kdn s ILE 87 N -2.69 3.01 -0.12 2.41 1.01 0.13 -4.79 121.20 120.16 2kdn s ILE 87 Ca 0.19 -1.19 0.16 0.00 0.00 0.00 0.00 60.65 59.82 2kdn s ILE 87 Cb 0.19 -2.32 -0.23 0.00 0.01 0.00 0.00 42.46 40.11 2kdn s ILE 87 CO 0.59 0.27 0.42 1.57 0.00 0.00 0.00 174.94 177.80 2kdn n HIS 88 N 1.30 0.51 -3.20 3.97 -0.00 0.95 -4.84 115.22 113.91 2kdn n HIS 88 Ca -0.16 0.18 0.01 0.00 -0.00 0.00 0.00 57.72 57.75 2kdn n HIS 88 Cb 0.52 -1.05 -0.01 0.00 -0.00 0.00 0.00 29.99 29.45 2kdn n HIS 88 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2kdn s ALA 89 N -2.66 -2.18 -0.03 1.57 0.00 -0.87 -5.00 121.76 112.59 2kdn s ALA 89 Ca -0.07 0.55 -0.05 0.00 0.00 0.00 0.00 51.96 52.40 2kdn s ALA 89 Cb 0.08 -2.55 -0.04 0.00 0.00 0.00 0.00 23.12 20.60 2kdn s ALA 89 CO 0.83 -1.99 0.19 0.12 0.00 0.00 0.00 175.76 174.91 2kdn s PHE 90 N 2.35 3.57 -0.00 0.00 5.36 -1.26 -1.58 117.98 126.42 2kdn s PHE 90 Ca 0.13 0.45 -0.04 0.00 -0.96 0.00 0.00 56.93 56.50 2kdn s PHE 90 Cb -0.08 -1.89 -0.00 0.00 -0.34 0.00 0.00 43.02 40.70 2kdn s PHE 90 CO -0.18 0.66 0.08 -1.12 -1.46 0.00 0.00 175.22 173.20 2kdn s SER 91 N -1.69 0.06 -0.07 6.13 0.01 0.29 -4.95 113.70 113.47 2kdn s SER 91 Ca 0.25 -0.19 0.03 0.00 1.31 0.00 0.00 55.95 57.35 2kdn s SER 91 Cb -0.13 0.17 -0.02 0.00 0.21 0.00 0.00 66.02 66.26 2kdn s SER 91 CO 0.15 -0.27 -0.16 0.00 0.41 0.00 0.00 173.24 173.38 2kdn s MET 92 N -1.05 2.68 -0.33 12.44 0.23 -1.26 -1.02 119.30 130.99 2kdn s MET 92 Ca -0.11 -0.73 -0.05 0.00 -1.03 0.00 0.00 55.69 53.77 2kdn s MET 92 Cb -0.07 -2.39 0.05 0.00 -1.53 0.00 0.00 34.83 30.90 2kdn s MET 92 CO 0.00 0.50 0.08 0.21 -2.03 0.00 0.00 175.02 173.78 2kdn s LYS 93 N -0.41 2.50 -0.21 3.16 2.47 0.44 -4.91 119.74 122.78 2kdn s LYS 93 Ca 0.04 -1.28 -0.10 0.00 -1.56 0.00 0.00 55.97 53.07 2kdn s LYS 93 Cb -0.12 -3.38 -0.05 0.00 -1.46 0.00 0.00 37.83 32.81 2kdn s LYS 93 CO 0.02 -0.70 0.14 0.00 0.16 0.00 0.00 175.35 174.97 2kdn s HIS 95 N 0.56 0.43 0.06 0.00 3.76 0.35 -4.97 115.29 115.48 2kdn s HIS 95 Ca 0.08 -0.95 0.02 0.00 -0.15 0.00 0.00 55.06 54.05 2kdn s HIS 95 Cb -0.12 -0.31 -0.04 0.00 1.11 0.00 0.00 32.58 33.22 2kdn s HIS 95 CO -0.00 -0.41 0.13 0.95 -0.85 0.00 0.00 174.74 174.55 2kdn s THR 96 N -3.86 4.88 0.53 1.30 -4.23 -1.26 -2.24 115.64 110.76 2kdn s THR 96 Ca 0.06 -0.59 0.30 0.00 -1.18 0.00 0.00 61.69 60.28 2kdn s THR 96 Cb 0.07 -3.35 0.34 0.00 1.34 0.00 0.00 72.50 70.89 2kdn s THR 96 CO -0.10 0.15 2.20 1.55 -0.54 0.00 0.00 174.62 177.88 2kdn h PRO 97 N 3.29 0.00 0.13 3.99 0.13 -1.87 -0.91 132.00 136.76 2kdn h PRO 97 Ca -0.46 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.66 2kdn h PRO 97 Cb 1.16 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.29 2kdn h PRO 97 CO 0.69 0.04 -0.06 1.25 -0.23 0.00 0.00 178.00 179.69 2kdn h LEU 98 N 0.00 -0.15 -0.55 1.56 7.12 -1.97 -1.04 115.31 120.29 2kdn h LEU 98 Ca -0.00 -0.08 -0.16 0.00 0.13 0.00 0.00 57.88 57.77 2kdn h LEU 98 Cb 0.12 0.04 -0.01 0.00 -0.53 0.00 0.00 40.66 40.28 2kdn h LEU 98 CO 0.01 -0.02 -0.66 -0.33 -0.13 0.00 0.00 178.44 177.30 2kdn h GLU 99 N -0.27 0.28 -1.00 1.25 3.07 -1.90 -3.18 114.58 112.84 2kdn h GLU 99 Ca -0.02 -0.21 0.04 0.00 -0.50 0.00 0.00 59.36 58.67 2kdn h GLU 99 Cb 0.21 0.04 -0.06 0.00 -0.84 0.00 0.00 28.75 28.10 2kdn h GLU 99 CO 0.03 0.84 0.65 -0.92 -1.40 0.00 0.00 179.01 178.21 2kdn h TYR 100 N 0.20 1.22 -0.73 4.33 3.20 -0.95 -1.24 116.97 123.00 2kdn h TYR 100 Ca -0.02 0.03 0.07 0.00 3.14 0.00 0.00 58.73 61.96 2kdn h TYR 100 Cb 1.20 -0.41 -0.05 0.00 1.54 0.00 0.00 36.73 39.02 2kdn h TYR 100 CO 0.03 0.70 0.48 0.22 -1.64 0.00 0.00 178.16 177.95 2kdn h ASP 101 N 1.26 0.63 0.02 -2.11 1.82 -1.16 -0.85 116.42 116.02 2kdn h ASP 101 Ca 0.40 0.01 -0.15 0.00 -0.39 0.00 0.00 57.03 56.90 2kdn h ASP 101 Cb 0.01 -0.13 -0.01 0.00 0.68 0.00 0.00 39.33 39.88 2kdn h ASP 101 CO -0.12 0.40 -0.48 0.11 -1.61 0.00 0.00 179.24 177.53 2kdn h LYS 102 N 0.72 0.53 -0.45 0.28 6.56 -1.34 -0.42 116.57 122.46 2kdn h LYS 102 Ca 0.32 -0.30 -0.05 0.00 -1.06 0.00 0.00 60.65 59.55 2kdn h LYS 102 Cb 0.32 0.02 -0.02 0.00 -0.57 0.00 0.00 32.23 31.99 2kdn h LYS 102 CO -0.11 0.90 0.07 -0.07 -2.06 0.00 0.00 179.45 178.18 2kdn h LEU 103 N 0.42 0.71 -0.36 2.94 3.38 -0.74 0.14 115.31 121.80 2kdn h LEU 103 Ca 0.02 -0.26 -0.18 0.00 0.09 0.00 0.00 57.88 57.55 2kdn h LEU 103 Cb 1.00 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.55 2kdn h LEU 103 CO 0.09 0.79 -0.82 0.07 0.09 0.00 0.00 178.44 178.66 2kdn h LYS 104 N 0.60 0.09 -0.27 1.13 2.10 -1.33 -1.10 116.57 117.79 2kdn h LYS 104 Ca 0.14 -0.10 -0.12 0.00 -2.00 0.00 0.00 60.65 58.57 2kdn h LYS 104 Cb 0.38 0.03 -0.00 0.00 -0.90 0.00 0.00 32.23 31.74 2kdn h LYS 104 CO 0.01 0.86 -0.31 1.03 -2.00 0.00 0.00 179.45 179.05 2kdn h SER 105 N 0.05 0.74 -0.12 7.07 0.87 -0.81 -3.22 113.55 118.14 2kdn h SER 105 Ca -0.02 -0.48 -0.07 0.00 -1.23 0.00 0.00 61.79 59.99 2kdn h SER 105 Cb 1.44 -0.21 -0.00 0.00 -0.44 0.00 0.00 62.40 63.19 2kdn h SER 105 CO 0.12 1.08 -0.19 0.07 -0.53 0.00 0.00 176.83 177.37 2kdn h LYS 106 N 0.42 0.34 0.00 2.24 2.10 -0.77 -3.48 116.57 117.42 2kdn h LYS 106 Ca 0.04 -0.21 0.00 0.00 -2.00 0.00 0.00 60.65 58.48 2kdn h LYS 106 Cb 0.88 0.02 0.00 0.00 -0.90 0.00 0.00 32.23 32.23 2kdn h LYS 106 CO 0.07 0.79 0.00 0.41 -2.00 0.00 0.00 179.45 178.72 2kdn n GLY 107 N 0.35 0.99 0.00 0.07 0.00 -0.45 -5.10 105.19 101.05 2kdn n GLY 107 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.95 2kdn n GLY 107 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76