#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 0.84 0.10 3.03 0.00 -1.26 -4.93 105.19 102.97 2kdn n GLY 2 Ca 0.00 -1.86 -0.12 0.00 0.00 0.00 0.00 46.02 44.03 2kdn n GLY 2 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2kdn h SER 3 N 0.00 -0.11 -0.13 1.61 0.02 -1.99 -3.47 113.55 109.49 2kdn h SER 3 Ca 0.00 -0.46 0.28 0.00 -0.84 0.00 0.00 61.79 60.77 2kdn h SER 3 Cb 0.00 0.03 -0.22 0.00 0.14 0.00 0.00 62.40 62.35 2kdn h SER 3 CO 0.00 0.45 0.31 -0.55 -1.14 0.00 0.00 176.83 175.90 2kdn s SER 4 N -5.60 -0.15 -0.86 3.07 0.15 -1.26 -4.86 113.70 104.19 2kdn s SER 4 Ca -0.15 0.11 -0.25 0.00 0.70 0.00 0.00 55.95 56.36 2kdn s SER 4 Cb 0.01 1.13 0.04 0.00 -1.71 0.00 0.00 66.02 65.48 2kdn s SER 4 CO 0.58 -0.03 1.37 -1.00 1.20 0.00 0.00 173.24 175.37 2kdn s HIS 5 N 2.81 2.37 -0.46 3.44 4.02 -1.26 -4.89 115.29 121.32 2kdn s HIS 5 Ca -0.07 -0.36 -0.26 0.00 1.02 0.00 0.00 55.06 55.40 2kdn s HIS 5 Cb -0.07 -4.64 0.03 0.00 -1.02 0.00 0.00 32.58 26.87 2kdn s HIS 5 CO -0.09 -2.02 0.93 -1.01 1.02 0.00 0.00 174.74 173.57 2kdn s HIS 6 N 5.56 2.92 -0.42 1.40 0.09 -1.26 -1.77 115.29 121.81 2kdn s HIS 6 Ca 0.41 0.41 0.02 0.00 -0.00 0.00 0.00 55.06 55.90 2kdn s HIS 6 Cb -0.05 -3.97 0.12 0.00 -0.00 0.00 0.00 32.58 28.68 2kdn s HIS 6 CO 0.04 -1.10 0.18 -3.38 -0.00 0.00 0.00 174.74 170.49 2kdn s HIS 7 N 3.76 2.55 0.20 1.40 -0.00 -1.25 -5.04 115.29 116.92 2kdn s HIS 7 Ca 0.37 -2.59 -0.18 0.00 -0.00 0.00 0.00 55.06 52.67 2kdn s HIS 7 Cb -0.10 -2.28 -0.08 0.00 -0.00 0.00 0.00 32.58 30.12 2kdn s HIS 7 CO 0.26 -0.82 0.67 -3.38 -0.00 0.00 0.00 174.74 171.47 2kdn s HIS 8 N 0.53 3.62 0.35 0.38 0.00 -1.26 -3.97 115.29 114.95 2kdn s HIS 8 Ca 0.15 1.27 -0.17 0.00 -3.00 0.00 0.00 55.06 53.32 2kdn s HIS 8 Cb -0.23 -2.53 0.04 0.00 -4.00 0.00 0.00 32.58 25.86 2kdn s HIS 8 CO -0.06 0.35 0.75 -3.38 -1.00 0.00 0.00 174.74 171.41 2kdn s HIS 9 N -1.53 0.08 0.50 0.38 -0.00 -1.18 -5.04 115.29 108.50 2kdn s HIS 9 Ca 0.42 -0.67 -0.15 0.00 -0.00 0.00 0.00 55.06 54.65 2kdn s HIS 9 Cb -0.16 0.75 -0.08 0.00 -0.00 0.00 0.00 32.58 33.10 2kdn s HIS 9 CO 0.20 -1.45 0.95 -1.01 -0.00 0.00 0.00 174.74 173.43 2kdn s HIS 10 N -2.81 3.46 0.33 0.38 3.76 -1.26 -3.00 115.29 116.14 2kdn s HIS 10 Ca 0.15 1.39 -0.29 0.00 -0.15 0.00 0.00 55.06 56.16 2kdn s HIS 10 Cb -0.05 -2.73 -0.11 0.00 1.11 0.00 0.00 32.58 30.80 2kdn s HIS 10 CO 0.11 -0.33 1.49 -1.54 -0.85 0.00 0.00 174.74 173.61 2kdn s SER 11 N -3.11 6.46 -0.81 1.40 1.04 -1.24 -4.67 113.70 112.76 2kdn s SER 11 Ca 0.57 2.91 -0.25 0.00 0.48 0.00 0.00 55.95 59.67 2kdn s SER 11 Cb -0.10 -2.65 -0.03 0.00 0.10 0.00 0.00 66.02 63.34 2kdn s SER 11 CO 0.32 -0.81 1.88 -0.44 0.98 0.00 0.00 173.24 175.16 2kdn s SER 12 N 0.08 5.27 -0.29 7.02 0.01 -1.26 -4.69 113.70 119.83 2kdn s SER 12 Ca 0.56 -0.39 0.19 0.00 1.31 0.00 0.00 55.95 57.62 2kdn s SER 12 Cb -0.45 -2.55 0.48 0.00 0.21 0.00 0.00 66.02 63.71 2kdn s SER 12 CO 0.54 -2.55 1.06 0.61 0.41 0.00 0.00 173.24 173.31 2kdn n GLY 13 N 6.46 2.20 0.59 3.44 0.00 -1.26 -4.42 105.19 112.20 2kdn n GLY 13 Ca 0.33 -1.34 0.00 0.00 0.00 0.00 0.00 46.02 45.01 2kdn n GLY 13 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2kdn n ARG 14 N -0.41 0.00 -0.15 1.61 1.85 -1.26 -4.77 116.66 113.52 2kdn n ARG 14 Ca 0.12 0.00 0.10 0.00 -1.00 0.00 0.00 57.85 57.07 2kdn n ARG 14 Cb 0.81 -0.56 0.18 0.00 -1.05 0.00 0.00 32.46 31.84 2kdn n ARG 14 CO 0.00 0.00 0.00 -0.85 -0.01 0.00 0.00 177.63 176.77 2kdn n GLU 15 N -2.33 2.28 0.00 2.89 0.28 -1.26 -4.46 120.64 118.04 2kdn n GLU 15 Ca 0.00 -2.10 0.00 0.00 -0.16 0.00 0.00 57.16 54.90 2kdn n GLU 15 Cb 0.26 -1.44 0.00 0.00 1.43 0.00 0.00 31.44 31.69 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 1.25 0.00 0.07 -1.84 2.04 -1.26 -0.04 115.26 115.48 2kdn n ASN 16 Ca 0.16 0.36 0.13 0.00 -0.44 0.00 0.00 54.58 54.79 2kdn n ASN 16 Cb 0.54 -0.36 0.40 0.00 -2.53 0.00 0.00 39.78 37.83 2kdn n ASN 16 CO 0.00 0.00 0.00 0.18 -0.44 0.00 0.00 177.26 177.00 2kdn n LEU 17 N -1.35 0.60 -3.91 -4.53 4.32 -1.26 -4.61 117.00 106.25 2kdn n LEU 17 Ca 0.00 0.46 -0.30 0.00 -0.02 0.00 0.00 56.01 56.15 2kdn n LEU 17 Cb 0.01 -0.33 -0.15 0.00 -1.62 0.00 0.00 43.42 41.33 2kdn n LEU 17 CO 0.00 -0.10 -0.31 -0.31 -1.22 0.00 0.00 177.39 175.45 2kdn s TYR 18 N -3.08 3.01 -2.00 -1.77 2.02 0.95 -4.95 117.35 111.53 2kdn s TYR 18 Ca 0.11 -2.65 0.05 0.00 -0.37 0.00 0.00 57.07 54.21 2kdn s TYR 18 Cb 0.14 -2.51 0.28 0.00 -0.40 0.00 0.00 41.96 39.47 2kdn s TYR 18 CO 0.61 -0.89 0.90 1.97 -1.57 0.00 0.00 175.55 176.57 2kdn n PHE 19 N 4.22 0.00 0.39 2.71 -1.74 -1.26 -2.88 117.46 118.90 2kdn n PHE 19 Ca 0.03 0.00 0.04 0.00 -0.56 0.00 0.00 57.45 56.96 2kdn n PHE 19 Cb 0.40 0.00 0.18 0.00 1.52 0.00 0.00 39.48 41.58 2kdn n PHE 19 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 2kdn n GLN 20 N -0.61 2.46 -1.19 3.97 -0.00 -1.26 -4.74 117.38 116.02 2kdn n GLN 20 Ca 0.04 -1.40 -0.36 0.00 -0.00 0.00 0.00 57.00 55.28 2kdn n GLN 20 Cb 0.02 -1.65 -0.03 0.00 -0.00 0.00 0.00 30.24 28.58 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 0.57 3.47 1.15 2.61 0.00 -1.14 -4.63 105.19 107.22 2kdn n GLY 21 Ca 0.13 -1.27 -0.03 0.00 0.00 0.00 0.00 46.02 44.85 2kdn n GLY 21 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 2kdn n HIS 22 N 5.48 0.49 -0.31 1.61 1.44 -1.26 -4.21 115.22 118.45 2kdn n HIS 22 Ca 0.54 -0.65 0.06 0.00 -2.01 0.00 0.00 57.72 55.67 2kdn n HIS 22 Cb 0.29 -0.34 0.27 0.00 0.12 0.00 0.00 29.99 30.32 2kdn n HIS 22 CO 0.00 0.00 0.00 1.98 -2.81 0.00 0.00 176.34 175.51 2kdn h MET 23 N 0.23 0.93 -1.81 -1.40 -1.53 -1.98 -3.44 114.93 105.93 2kdn h MET 23 Ca 0.09 -0.06 0.00 0.00 -3.44 0.00 0.00 59.70 56.30 2kdn h MET 23 Cb 1.24 -0.21 -0.22 0.00 -0.55 0.00 0.00 31.60 31.87 2kdn h MET 23 CO 0.17 0.61 0.32 0.00 0.14 0.00 0.00 176.91 178.16 2kdn h ILE 25 N 3.16 0.92 -0.35 0.00 6.09 -1.91 -0.97 117.51 124.44 2kdn h ILE 25 Ca -0.25 -0.23 -0.08 0.00 -1.37 0.00 0.00 64.86 62.93 2kdn h ILE 25 Cb 1.16 0.20 -0.02 0.00 0.47 0.00 0.00 36.82 38.63 2kdn h ILE 25 CO 0.26 0.12 -0.12 -0.61 -3.07 0.00 0.00 178.15 174.73 2kdn h GLN 26 N 0.66 0.62 -0.83 2.19 4.15 -1.98 -2.48 115.11 117.44 2kdn h GLN 26 Ca 0.32 -0.19 -0.02 0.00 0.77 0.00 0.00 58.65 59.53 2kdn h GLN 26 Cb 0.27 -0.06 -0.04 0.00 0.21 0.00 0.00 27.48 27.86 2kdn h GLN 26 CO -0.22 0.73 0.44 -0.22 -1.93 0.00 0.00 178.83 177.63 2kdn h LYS 27 N 0.57 1.17 -0.05 1.69 1.63 -1.60 -0.66 116.57 119.32 2kdn h LYS 27 Ca 0.10 -0.15 -0.00 0.00 -0.85 0.00 0.00 60.65 59.75 2kdn h LYS 27 Cb 0.54 -0.22 -0.00 0.00 -0.60 0.00 0.00 32.23 31.95 2kdn h LYS 27 CO 0.03 0.87 0.03 0.28 -3.45 0.00 0.00 179.45 177.22 2kdn h VAL 28 N 1.17 1.04 -0.15 2.00 2.07 -0.78 -1.40 116.25 120.20 2kdn h VAL 28 Ca 0.29 -0.12 0.03 0.00 0.82 0.00 0.00 66.70 67.72 2kdn h VAL 28 Cb 0.06 1.04 -0.03 0.00 -1.52 0.00 0.00 31.29 30.84 2kdn h VAL 28 CO -0.04 0.04 -0.02 0.40 0.02 0.00 0.00 177.57 177.97 2kdn h ILE 29 N 0.03 0.88 0.13 4.57 5.03 -1.14 -0.93 117.51 126.06 2kdn h ILE 29 Ca 0.02 -0.01 0.00 0.00 -0.12 0.00 0.00 64.86 64.75 2kdn h ILE 29 Cb 0.04 0.84 -0.01 0.00 -3.03 0.00 0.00 36.82 34.66 2kdn h ILE 29 CO -0.00 0.01 -0.11 -0.33 -0.68 0.00 0.00 178.15 177.03 2kdn h GLU 30 N 0.03 -0.24 -0.15 2.37 5.08 -0.96 -2.31 114.58 118.40 2kdn h GLU 30 Ca 0.07 0.02 -0.13 0.00 -1.00 0.00 0.00 59.36 58.32 2kdn h GLU 30 Cb 0.10 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.39 2kdn h GLU 30 CO -0.13 -0.16 -0.48 0.22 -1.00 0.00 0.00 179.01 177.46 2kdn h ASP 31 N -0.25 0.41 -0.10 1.42 1.82 -1.20 -1.54 116.42 116.97 2kdn h ASP 31 Ca -0.00 -0.20 -0.00 0.00 -0.39 0.00 0.00 57.03 56.44 2kdn h ASP 31 Cb 0.24 -0.12 -0.00 0.00 0.68 0.00 0.00 39.33 40.12 2kdn h ASP 31 CO -0.02 0.83 0.05 0.50 -1.61 0.00 0.00 179.24 178.99 2kdn h LYS 32 N 0.31 0.14 0.00 0.28 3.64 -0.97 0.22 116.57 120.19 2kdn h LYS 32 Ca 0.02 -0.02 -0.09 0.00 -1.27 0.00 0.00 60.65 59.29 2kdn h LYS 32 Cb 0.95 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.73 2kdn h LYS 32 CO 0.08 0.19 -0.42 1.37 -2.27 0.00 0.00 179.45 178.40 2kdn h LEU 33 N 0.06 0.00 -0.52 5.20 8.10 -1.37 -2.92 115.31 123.87 2kdn h LEU 33 Ca 0.04 0.00 -0.16 0.00 0.11 0.00 0.00 57.88 57.86 2kdn h LEU 33 Cb 0.09 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 40.30 2kdn h LEU 33 CO -0.01 0.42 -0.64 0.28 -4.11 0.00 0.00 178.44 174.38 2kdn h SER 34 N 0.00 0.44 0.45 0.17 0.02 -0.78 0.72 113.55 114.58 2kdn h SER 34 Ca -0.00 -0.26 -0.06 0.00 -0.84 0.00 0.00 61.79 60.62 2kdn h SER 34 Cb 1.00 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 63.40 2kdn h SER 34 CO 0.05 0.97 -0.27 0.28 -1.14 0.00 0.00 176.83 176.73 2kdn h SER 35 N 0.28 0.00 0.00 3.07 0.02 -0.41 0.62 113.55 117.13 2kdn h SER 35 Ca -0.01 0.00 -0.11 0.00 -0.84 0.00 0.00 61.79 60.82 2kdn h SER 35 Cb 1.18 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.71 2kdn h SER 35 CO 0.11 0.27 -0.84 0.00 -1.14 0.00 0.00 176.83 175.22 2kdn h ALA 36 N 1.73 0.13 0.00 3.77 0.00 -1.30 -3.40 119.26 120.19 2kdn h ALA 36 Ca -0.00 -0.83 -0.24 0.00 0.00 0.00 0.00 54.91 53.84 2kdn h ALA 36 Cb 0.56 0.59 -0.04 0.00 0.00 0.00 0.00 17.79 18.91 2kdn h ALA 36 CO 0.03 0.57 -1.26 -0.07 0.00 0.00 0.00 179.25 178.53 2kdn h LEU 37 N -1.00 0.00 -2.57 0.00 3.38 -0.97 -3.49 115.31 110.66 2kdn h LEU 37 Ca -0.17 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.71 2kdn h LEU 37 Cb 0.89 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.65 2kdn h LEU 37 CO -0.10 0.97 -0.58 1.17 0.09 0.00 0.00 178.44 179.98 2kdn n LYS 38 N -3.22 -2.14 -2.36 1.13 3.00 0.21 -4.52 118.16 110.26 2kdn n LYS 38 Ca -0.06 1.88 -0.25 0.00 -0.00 0.00 0.00 58.31 59.88 2kdn n LYS 38 Cb 0.97 -4.94 0.09 0.00 0.00 0.00 0.00 35.03 31.16 2kdn n LYS 38 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.40 176.15 2kdn s PRO 39 N -2.71 1.87 -0.11 1.64 0.04 -1.26 -4.49 135.00 129.98 2kdn s PRO 39 Ca 0.23 -0.63 0.13 0.00 0.04 0.00 0.00 61.00 60.77 2kdn s PRO 39 Cb -0.05 -2.23 -0.18 0.00 0.04 0.00 0.00 34.50 32.08 2kdn s PRO 39 CO 0.79 -1.39 0.11 0.25 0.04 0.00 0.00 177.00 176.81 2kdn n THR 40 N -2.92 0.71 -4.10 1.26 -2.24 0.14 -4.72 114.28 102.41 2kdn n THR 40 Ca 0.11 -0.52 -0.16 0.00 -2.27 0.00 0.00 64.05 61.22 2kdn n THR 40 Cb 0.60 -0.45 -0.15 0.00 -2.10 0.00 0.00 70.33 68.24 2kdn n THR 40 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 2kdn s PHE 41 N -2.49 0.40 -0.11 4.78 5.36 -1.05 -3.67 117.98 121.20 2kdn s PHE 41 Ca -0.06 -0.07 -0.03 0.00 -0.96 0.00 0.00 56.93 55.80 2kdn s PHE 41 Cb 0.05 -0.29 0.05 0.00 -0.34 0.00 0.00 43.02 42.50 2kdn s PHE 41 CO 0.57 -0.03 0.13 -1.17 -1.46 0.00 0.00 175.22 173.26 2kdn s LEU 42 N 0.05 0.05 -0.24 6.12 2.96 -1.16 -1.45 118.68 125.01 2kdn s LEU 42 Ca -0.00 -0.00 0.01 0.00 -0.22 0.00 0.00 54.13 53.92 2kdn s LEU 42 Cb -0.03 0.09 0.06 0.00 0.50 0.00 0.00 46.19 46.81 2kdn s LEU 42 CO -0.00 -0.28 -0.05 -0.70 -1.32 0.00 0.00 176.35 174.00 2kdn s GLU 43 N 2.24 1.61 -0.22 1.98 2.12 -0.85 -3.09 118.70 122.48 2kdn s GLU 43 Ca 0.04 -1.02 -0.15 0.00 0.36 0.00 0.00 54.97 54.19 2kdn s GLU 43 Cb -0.13 -2.60 -0.04 0.00 0.26 0.00 0.00 34.13 31.62 2kdn s GLU 43 CO -0.07 -0.62 0.39 -0.51 -0.54 0.00 0.00 175.26 173.91 2kdn s LEU 44 N 1.38 4.12 -0.16 2.70 1.02 -1.25 -0.39 118.68 126.10 2kdn s LEU 44 Ca -0.05 0.44 -0.07 0.00 0.02 0.00 0.00 54.13 54.47 2kdn s LEU 44 Cb -0.19 -2.48 -0.04 0.00 0.02 0.00 0.00 46.19 43.50 2kdn s LEU 44 CO -0.07 -0.11 0.07 -0.69 0.02 0.00 0.00 176.35 175.57 2kdn s VAL 45 N 1.56 4.88 -0.27 -1.59 1.01 0.40 -3.85 120.40 122.53 2kdn s VAL 45 Ca 0.17 -0.01 -0.28 0.00 0.00 0.00 0.00 61.98 61.86 2kdn s VAL 45 Cb -0.15 -3.17 -0.03 0.00 0.00 0.00 0.00 36.38 33.03 2kdn s VAL 45 CO 0.08 0.51 2.00 -0.62 0.00 0.00 0.00 175.10 177.08 2kdn s ASP 46 N -0.06 5.68 -0.56 3.32 2.15 -0.73 -1.55 116.67 124.92 2kdn s ASP 46 Ca 0.07 1.60 0.03 0.00 0.43 0.00 0.00 52.55 54.68 2kdn s ASP 46 Cb -0.12 -2.52 0.41 0.00 -0.30 0.00 0.00 42.92 40.39 2kdn s ASP 46 CO 0.01 -1.82 1.46 1.17 -0.17 0.00 0.00 175.17 175.81 2kdn n LYS 47 N 8.58 3.20 -1.92 4.34 4.81 -0.22 -4.18 118.16 132.77 2kdn n LYS 47 Ca 0.26 -4.09 -0.24 0.00 -0.87 0.00 0.00 58.31 53.37 2kdn n LYS 47 Cb 0.46 -2.26 -0.07 0.00 0.02 0.00 0.00 35.03 33.18 2kdn n LYS 47 CO 0.00 0.00 0.00 -1.12 1.17 0.00 0.00 177.40 177.45 2kdn s SER 48 N -2.69 4.63 -0.89 3.14 0.01 -1.25 -4.27 113.70 112.38 2kdn s SER 48 Ca 0.51 -1.09 -0.25 0.00 1.31 0.00 0.00 55.95 56.43 2kdn s SER 48 Cb 0.42 -2.58 0.04 0.00 0.21 0.00 0.00 66.02 64.11 2kdn s SER 48 CO -0.22 -3.40 1.41 0.00 0.41 0.00 0.00 173.24 171.44 2kdn n GLY 50 N 6.26 2.26 3.17 0.00 0.00 -1.26 -4.41 105.19 111.22 2kdn n GLY 50 Ca 0.21 -0.04 -0.35 0.00 0.00 0.00 0.00 46.02 45.84 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 4.63 3.73 3.51 0.00 0.00 -1.26 -5.08 105.19 110.71 2kdn n GLY 52 Ca -0.10 -0.15 -0.42 0.00 0.00 0.00 0.00 46.02 45.34 2kdn n GLY 52 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2kdn s THR 53 N -0.73 4.02 0.05 2.61 2.01 -1.26 -4.25 115.64 118.10 2kdn s THR 53 Ca 0.00 -0.06 0.03 0.00 0.31 0.00 0.00 61.69 61.97 2kdn s THR 53 Cb 0.00 -4.82 -0.03 0.00 0.01 0.00 0.00 72.50 67.66 2kdn s THR 53 CO 0.00 -1.68 -0.09 -0.94 -0.69 0.00 0.00 174.62 171.22 2kdn s SER 54 N 3.79 1.04 0.02 3.53 1.04 -1.26 -4.46 113.70 117.40 2kdn s SER 54 Ca 0.30 -0.61 0.03 0.00 0.48 0.00 0.00 55.95 56.15 2kdn s SER 54 Cb -0.11 0.03 -0.01 0.00 0.10 0.00 0.00 66.02 66.02 2kdn s SER 54 CO 0.11 -0.21 -0.08 -0.36 0.98 0.00 0.00 173.24 173.68 2kdn s PHE 55 N -1.59 0.72 -0.25 5.02 0.08 -1.09 -1.06 117.98 119.81 2kdn s PHE 55 Ca -0.06 -0.28 -0.01 0.00 0.12 0.00 0.00 56.93 56.69 2kdn s PHE 55 Cb -0.08 -0.44 0.03 0.00 -0.57 0.00 0.00 43.02 41.96 2kdn s PHE 55 CO 0.00 -0.03 -0.06 0.34 -0.10 0.00 0.00 175.22 175.37 2kdn s ASP 56 N -0.81 4.35 -0.17 1.36 -1.08 -0.59 -1.83 116.67 117.90 2kdn s ASP 56 Ca -0.02 -0.97 -0.03 0.00 -0.52 0.00 0.00 52.55 51.00 2kdn s ASP 56 Cb -0.06 -1.65 -0.02 0.00 -1.46 0.00 0.00 42.92 39.73 2kdn s ASP 56 CO 0.00 -0.15 -0.05 0.00 0.52 0.00 0.00 175.17 175.50 2kdn s ALA 57 N 1.29 2.89 -0.27 3.66 0.00 0.46 -0.45 121.76 129.33 2kdn s ALA 57 Ca -0.01 -0.95 -0.17 0.00 0.00 0.00 0.00 51.96 50.82 2kdn s ALA 57 Cb -0.17 -1.57 -0.03 0.00 0.00 0.00 0.00 23.12 21.35 2kdn s ALA 57 CO -0.04 -0.00 0.49 0.08 0.00 0.00 0.00 175.76 176.28 2kdn s VAL 58 N 0.75 5.09 -0.21 0.00 1.01 0.48 -0.37 120.40 127.15 2kdn s VAL 58 Ca -0.02 0.80 -0.05 0.00 0.00 0.00 0.00 61.98 62.71 2kdn s VAL 58 Cb -0.15 -3.81 -0.02 0.00 0.00 0.00 0.00 36.38 32.41 2kdn s VAL 58 CO 0.02 0.09 -0.01 -0.51 0.00 0.00 0.00 175.10 174.69 2kdn s ILE 59 N 2.26 3.72 -0.32 2.22 -1.16 0.45 -2.01 121.20 126.35 2kdn s ILE 59 Ca 0.20 -0.38 -0.02 0.00 -0.51 0.00 0.00 60.65 59.93 2kdn s ILE 59 Cb -0.16 -2.69 0.06 0.00 0.61 0.00 0.00 42.46 40.29 2kdn s ILE 59 CO 0.09 0.42 0.04 -0.69 -2.81 0.00 0.00 174.94 171.99 2kdn s VAL 60 N 1.26 3.04 0.05 4.00 1.01 -0.52 -1.11 120.40 128.12 2kdn s VAL 60 Ca 0.03 -1.53 -0.15 0.00 0.00 0.00 0.00 61.98 60.33 2kdn s VAL 60 Cb -0.15 -2.83 0.03 0.00 0.00 0.00 0.00 36.38 33.43 2kdn s VAL 60 CO 0.00 -0.23 0.34 -0.55 0.00 0.00 0.00 175.10 174.66 2kdn s SER 61 N 1.35 -0.18 0.52 3.32 0.15 -0.97 0.25 113.70 118.14 2kdn s SER 61 Ca -0.02 -0.13 0.34 0.00 0.70 0.00 0.00 55.95 56.84 2kdn s SER 61 Cb -0.20 0.38 1.54 0.00 -1.71 0.00 0.00 66.02 66.03 2kdn s SER 61 CO -0.02 -0.63 2.01 0.78 1.20 0.00 0.00 173.24 176.58 2kdn h ASN 62 N 3.14 0.00 -0.28 5.45 -0.26 -1.88 -3.17 115.58 118.58 2kdn h ASN 62 Ca -0.32 0.00 0.08 0.00 -0.56 0.00 0.00 56.30 55.51 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 0.45 0.00 0.40 -1.13 -1.06 0.00 0.00 177.43 176.09 2kdn h ASN 63 N 0.00 0.00 -0.00 5.81 -1.24 -1.85 0.61 115.58 118.91 2kdn h ASN 63 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.01 2kdn h ASN 63 Cb 0.34 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.39 2kdn h ASN 63 CO 0.00 0.00 -0.70 0.33 -1.29 0.00 0.00 177.43 175.77 2kdn n PHE 64 N -3.49 0.00 0.48 0.67 7.35 -1.20 -4.40 117.46 116.87 2kdn n PHE 64 Ca 0.04 0.00 0.12 0.00 -0.76 0.00 0.00 57.45 56.85 2kdn n PHE 64 Cb 0.53 0.00 0.46 0.00 0.35 0.00 0.00 39.48 40.83 2kdn n PHE 64 CO 0.00 0.00 0.00 -0.85 -0.76 0.00 0.00 176.76 175.15 2kdn n GLU 65 N -0.99 0.20 0.00 -4.13 -0.00 0.21 -2.33 120.64 113.60 2kdn n GLU 65 Ca 0.05 0.35 0.14 0.00 -0.00 0.00 0.00 57.16 57.69 2kdn n GLU 65 Cb 0.32 -1.83 0.82 0.00 -0.00 0.00 0.00 31.44 30.75 2kdn n GLU 65 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.13 173.66 2kdn n ASP 66 N -2.19 0.00 0.00 -1.84 2.03 -1.25 -4.84 116.55 108.46 2kdn n ASP 66 Ca 0.03 -0.97 0.00 0.00 0.52 0.00 0.00 54.79 54.37 2kdn n ASP 66 Cb 0.28 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.68 2kdn n ASP 66 CO 0.00 0.00 0.00 1.17 -1.92 0.00 0.00 177.20 176.45 2kdn n LYS 67 N -0.97 -0.17 -2.57 -0.67 4.81 -0.98 -4.92 118.16 112.68 2kdn n LYS 67 Ca 0.21 0.04 -0.41 0.00 -0.87 0.00 0.00 58.31 57.28 2kdn n LYS 67 Cb 0.10 -3.43 -0.03 0.00 0.02 0.00 0.00 35.03 31.68 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 -0.50 3.61 -0.02 1.64 -0.14 -1.26 -4.79 119.74 118.27 2kdn s LYS 68 Ca 0.00 -1.17 -0.25 0.00 -1.36 0.00 0.00 55.97 53.19 2kdn s LYS 68 Cb 0.00 -5.35 -0.20 0.00 -1.68 0.00 0.00 37.83 30.60 2kdn s LYS 68 CO 0.00 -2.20 1.23 1.25 -0.76 0.00 0.00 175.35 174.87 2kdn h LEU 69 N 12.72 0.10 -1.60 3.17 6.46 -1.91 -1.84 115.31 132.40 2kdn h LEU 69 Ca 0.21 -0.54 -0.01 0.00 -0.12 0.00 0.00 57.88 57.42 2kdn h LEU 69 Cb 1.01 -0.03 -0.02 0.00 -0.73 0.00 0.00 40.66 40.89 2kdn h LEU 69 CO 1.42 0.62 0.16 0.17 -0.62 0.00 0.00 178.44 180.19 2kdn h LEU 70 N -0.42 0.37 -0.02 2.25 -0.00 -1.99 0.21 115.31 115.71 2kdn h LEU 70 Ca 0.00 -0.02 -0.05 0.00 -0.00 0.00 0.00 57.88 57.81 2kdn h LEU 70 Cb 0.60 -0.09 0.00 0.00 -0.00 0.00 0.00 40.66 41.17 2kdn h LEU 70 CO 0.01 0.31 -0.16 -0.78 -0.00 0.00 0.00 178.44 177.82 2kdn h ASP 71 N 0.43 0.18 -0.67 0.17 3.58 -1.94 -1.01 116.42 117.16 2kdn h ASP 71 Ca 0.11 -0.69 0.03 0.00 0.42 0.00 0.00 57.03 56.89 2kdn h ASP 71 Cb 0.03 -0.05 -0.04 0.00 1.72 0.00 0.00 39.33 40.99 2kdn h ASP 71 CO -0.02 0.85 0.44 -0.09 -2.88 0.00 0.00 179.24 177.54 2kdn h ARG 72 N -0.47 0.80 0.39 0.28 1.12 -1.03 -0.62 114.38 114.85 2kdn h ARG 72 Ca -0.01 -0.05 -0.02 0.00 -1.11 0.00 0.00 59.98 58.79 2kdn h ARG 72 Cb 0.86 -0.18 0.00 0.00 -0.01 0.00 0.00 29.97 30.64 2kdn h ARG 72 CO 0.03 0.53 -0.19 1.25 -3.11 0.00 0.00 179.97 178.49 2kdn h HIS 73 N 0.82 -0.48 -0.67 2.20 2.76 -0.52 -2.72 115.15 116.55 2kdn h HIS 73 Ca 0.26 -0.01 -0.07 0.00 -2.20 0.00 0.00 60.37 58.34 2kdn h HIS 73 Cb 0.02 0.16 -0.03 0.00 1.55 0.00 0.00 27.41 29.12 2kdn h HIS 73 CO -0.00 -0.19 0.13 0.07 -1.30 0.00 0.00 177.93 176.64 2kdn h ARG 74 N -0.73 1.09 0.34 5.26 0.11 -0.82 -0.24 114.38 119.40 2kdn h ARG 74 Ca -0.05 -0.28 -0.02 0.00 0.10 0.00 0.00 59.98 59.73 2kdn h ARG 74 Cb 0.51 -0.13 0.00 0.00 1.11 0.00 0.00 29.97 31.46 2kdn h ARG 74 CO 0.09 0.99 -0.16 -0.07 0.10 0.00 0.00 179.97 180.92 2kdn h LEU 75 N 1.01 -0.38 -0.60 0.08 3.38 -1.18 0.17 115.31 117.79 2kdn h LEU 75 Ca 0.20 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.17 2kdn h LEU 75 Cb 0.42 0.10 -0.03 0.00 0.09 0.00 0.00 40.66 41.24 2kdn h LEU 75 CO 0.01 -0.26 0.35 0.58 0.09 0.00 0.00 178.44 179.20 2kdn h VAL 76 N -0.46 1.18 -0.44 1.22 2.07 -1.39 -2.70 116.25 115.73 2kdn h VAL 76 Ca -0.05 -0.43 -0.06 0.00 0.82 0.00 0.00 66.70 66.98 2kdn h VAL 76 Cb 0.35 0.39 -0.02 0.00 -1.52 0.00 0.00 31.29 30.49 2kdn h VAL 76 CO 0.08 0.19 0.04 0.78 0.02 0.00 0.00 177.57 178.68 2kdn h ASN 77 N 0.81 0.64 -0.14 0.57 -0.26 -0.82 0.11 115.58 116.49 2kdn h ASN 77 Ca 0.21 -0.13 -0.11 0.00 -0.56 0.00 0.00 56.30 55.72 2kdn h ASN 77 Cb 0.01 -0.17 0.00 0.00 -1.06 0.00 0.00 38.32 37.10 2kdn h ASN 77 CO -0.04 0.69 -0.35 0.74 -1.06 0.00 0.00 177.43 177.41 2kdn h THR 78 N 0.66 1.36 0.01 2.81 2.02 -0.70 -0.87 112.91 118.20 2kdn h THR 78 Ca 0.14 -1.62 -0.00 0.00 0.77 0.00 0.00 66.41 65.69 2kdn h THR 78 Cb 0.35 2.04 0.00 0.00 -1.74 0.00 0.00 68.15 68.79 2kdn h THR 78 CO 0.01 0.49 -0.01 0.40 0.37 0.00 0.00 175.52 176.78 2kdn h ILE 79 N 0.10 1.53 0.00 3.11 2.04 -1.41 -3.28 117.51 119.60 2kdn h ILE 79 Ca -0.00 -1.88 0.00 0.00 1.00 0.00 0.00 64.86 63.98 2kdn h ILE 79 Cb 0.95 2.76 0.00 0.00 -0.74 0.00 0.00 36.82 39.79 2kdn h ILE 79 CO 0.08 0.47 0.00 0.18 0.00 0.00 0.00 178.15 178.87 2kdn n LEU 80 N -4.71 0.00 0.20 1.44 4.32 0.38 -2.48 117.00 116.15 2kdn n LEU 80 Ca -0.09 0.46 -0.14 0.00 -0.02 0.00 0.00 56.01 56.22 2kdn n LEU 80 Cb 0.38 -0.46 -0.08 0.00 -1.62 0.00 0.00 43.42 41.64 2kdn n LEU 80 CO 0.31 -0.14 0.52 0.50 -1.22 0.00 0.00 177.39 177.37 2kdn h LYS 81 N 0.00 -0.74 -0.00 3.23 3.64 -1.21 0.14 116.57 121.63 2kdn h LYS 81 Ca 0.00 0.05 -0.13 0.00 -1.27 0.00 0.00 60.65 59.30 2kdn h LYS 81 Cb 0.33 0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 32.30 2kdn h LYS 81 CO 0.00 -0.49 -0.61 1.49 -2.27 0.00 0.00 179.45 177.57 2kdn h GLU 82 N -0.77 0.01 -0.41 1.90 4.57 -1.71 -2.94 114.58 115.24 2kdn h GLU 82 Ca -0.04 -0.00 0.05 0.00 -1.18 0.00 0.00 59.36 58.19 2kdn h GLU 82 Cb 0.69 0.00 -0.05 0.00 -0.16 0.00 0.00 28.75 29.23 2kdn h GLU 82 CO -0.10 0.61 0.12 1.49 -1.18 0.00 0.00 179.01 179.95 2kdn h GLU 83 N 0.00 0.26 -1.00 1.92 4.57 -1.33 -2.80 114.58 116.20 2kdn h GLU 83 Ca -0.01 -0.02 0.28 0.00 -1.18 0.00 0.00 59.36 58.44 2kdn h GLU 83 Cb 1.08 -0.06 -0.05 0.00 -0.16 0.00 0.00 28.75 29.56 2kdn h GLU 83 CO 0.08 0.17 0.71 -0.07 -1.18 0.00 0.00 179.01 178.73 2kdn h LEU 84 N 0.27 0.06 -1.88 1.64 3.38 -0.53 -1.19 115.31 117.07 2kdn h LEU 84 Ca 0.19 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.17 2kdn h LEU 84 Cb 0.20 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.95 2kdn h LEU 84 CO -0.21 0.02 0.20 1.56 0.09 0.00 0.00 178.44 180.09 2kdn h GLN 85 N 0.06 0.00 -0.00 1.13 7.50 -1.62 0.38 115.11 122.55 2kdn h GLN 85 Ca 0.49 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.64 2kdn h GLN 85 Cb 1.84 0.00 0.00 0.00 0.05 0.00 0.00 27.48 29.37 2kdn h GLN 85 CO -0.04 0.00 -0.29 0.09 -1.50 0.00 0.00 178.83 177.09 2kdn n ASN 86 N -2.65 0.48 -4.02 1.46 3.02 -0.45 -4.92 115.26 108.19 2kdn n ASN 86 Ca -0.02 -0.27 -0.22 0.00 -0.03 0.00 0.00 54.58 54.04 2kdn n ASN 86 Cb 0.25 0.03 -0.09 0.00 -0.61 0.00 0.00 39.78 39.35 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 -2.82 0.48 -0.11 2.41 1.01 0.13 -5.06 121.20 117.23 2kdn s ILE 87 Ca 0.17 -2.00 0.04 0.00 0.00 0.00 0.00 60.65 58.86 2kdn s ILE 87 Cb 0.19 -2.47 -0.05 0.00 0.01 0.00 0.00 42.46 40.13 2kdn s ILE 87 CO 0.60 0.00 0.14 0.00 0.00 0.00 0.00 174.94 175.67 2kdn n HIS 88 N -0.72 0.00 -3.15 3.97 1.44 -1.26 -4.94 115.22 110.56 2kdn n HIS 88 Ca -0.01 0.00 0.04 0.00 -2.01 0.00 0.00 57.72 55.74 2kdn n HIS 88 Cb 0.65 -0.04 -0.01 0.00 0.12 0.00 0.00 29.99 30.71 2kdn n HIS 88 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 2kdn s ALA 89 N -1.74 -2.53 -0.09 1.59 0.00 -1.26 -5.11 121.76 112.63 2kdn s ALA 89 Ca 0.00 1.51 -0.00 0.00 0.00 0.00 0.00 51.96 53.47 2kdn s ALA 89 Cb 0.03 -2.37 0.02 0.00 0.00 0.00 0.00 23.12 20.80 2kdn s ALA 89 CO 0.16 -1.56 -0.05 0.12 0.00 0.00 0.00 175.76 174.44 2kdn s PHE 90 N 2.86 1.10 0.04 0.00 5.36 -1.26 -2.68 117.98 123.40 2kdn s PHE 90 Ca 0.15 -0.46 0.07 0.00 -0.96 0.00 0.00 56.93 55.74 2kdn s PHE 90 Cb -0.12 -1.00 -0.03 0.00 -0.34 0.00 0.00 43.02 41.53 2kdn s PHE 90 CO -0.22 -0.39 -0.19 -1.54 -1.46 0.00 0.00 175.22 171.42 2kdn s SER 91 N 1.61 3.73 0.06 6.13 1.04 -0.76 -5.02 113.70 120.49 2kdn s SER 91 Ca 0.01 -0.44 0.08 0.00 0.48 0.00 0.00 55.95 56.09 2kdn s SER 91 Cb -0.13 -0.58 -0.03 0.00 0.10 0.00 0.00 66.02 65.38 2kdn s SER 91 CO -0.05 0.26 -0.22 0.00 0.98 0.00 0.00 173.24 174.20 2kdn s MET 92 N -1.38 1.43 -0.14 4.02 0.23 -1.26 -0.40 119.30 121.80 2kdn s MET 92 Ca 0.14 -1.04 0.00 0.00 -1.03 0.00 0.00 55.69 53.76 2kdn s MET 92 Cb -0.10 -1.61 0.02 0.00 -1.53 0.00 0.00 34.83 31.60 2kdn s MET 92 CO 0.05 0.41 -0.13 0.15 -2.03 0.00 0.00 175.02 173.47 2kdn s LYS 93 N -1.37 2.12 -0.15 3.16 -0.14 0.50 -4.93 119.74 118.93 2kdn s LYS 93 Ca 0.09 -0.49 -0.07 0.00 -1.36 0.00 0.00 55.97 54.13 2kdn s LYS 93 Cb -0.09 -1.98 -0.04 0.00 -1.68 0.00 0.00 37.83 34.03 2kdn s LYS 93 CO 0.03 -0.24 0.11 0.00 -0.76 0.00 0.00 175.35 174.49 2kdn s HIS 95 N -0.39 0.78 0.24 0.00 3.76 -0.27 -4.97 115.29 114.44 2kdn s HIS 95 Ca 0.11 -1.06 0.08 0.00 -0.15 0.00 0.00 55.06 54.04 2kdn s HIS 95 Cb -0.12 -0.08 -0.04 0.00 1.11 0.00 0.00 32.58 33.45 2kdn s HIS 95 CO 0.01 -0.95 0.04 0.95 -0.85 0.00 0.00 174.74 173.94 2kdn s THR 96 N -3.76 3.72 0.29 1.30 -4.23 -1.26 -2.30 115.64 109.40 2kdn s THR 96 Ca 0.29 -1.69 0.36 0.00 -1.18 0.00 0.00 61.69 59.47 2kdn s THR 96 Cb 0.01 -2.96 0.37 0.00 1.34 0.00 0.00 72.50 71.26 2kdn s THR 96 CO 0.13 -0.30 2.10 -0.65 -0.54 0.00 0.00 174.62 175.36 2kdn h PRO 97 N 2.01 0.00 0.10 3.99 0.11 -1.86 -1.75 132.00 134.60 2kdn h PRO 97 Ca -0.46 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.65 2kdn h PRO 97 Cb 1.24 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.34 2kdn h PRO 97 CO 0.60 0.00 -0.06 -0.07 -0.21 0.00 0.00 178.00 178.25 2kdn h LEU 98 N 0.00 -0.16 -0.49 2.35 -0.00 -1.96 0.43 115.31 115.47 2kdn h LEU 98 Ca 0.00 0.01 -0.00 0.00 -0.00 0.00 0.00 57.88 57.89 2kdn h LEU 98 Cb 0.10 0.05 -0.02 0.00 -0.00 0.00 0.00 40.66 40.79 2kdn h LEU 98 CO 0.00 -0.11 0.29 -0.33 -0.00 0.00 0.00 178.44 178.30 2kdn h GLU 99 N -0.17 0.67 -0.90 1.13 3.07 -1.74 -2.81 114.58 113.83 2kdn h GLU 99 Ca -0.01 -0.06 0.05 0.00 -0.50 0.00 0.00 59.36 58.84 2kdn h GLU 99 Cb 0.14 -0.14 -0.06 0.00 -0.84 0.00 0.00 28.75 27.85 2kdn h GLU 99 CO 0.01 0.49 0.57 -0.92 -1.40 0.00 0.00 179.01 177.76 2kdn h TYR 100 N 0.66 1.06 -0.96 4.33 3.20 -1.18 -2.40 116.97 121.68 2kdn h TYR 100 Ca 0.18 0.03 0.03 0.00 3.14 0.00 0.00 58.73 62.11 2kdn h TYR 100 Cb -0.00 -0.35 -0.05 0.00 1.54 0.00 0.00 36.73 37.87 2kdn h TYR 100 CO -0.03 0.56 0.63 0.22 -1.64 0.00 0.00 178.16 177.90 2kdn h ASP 101 N 1.06 1.05 -0.45 -2.11 3.58 0.11 -1.16 116.42 118.50 2kdn h ASP 101 Ca 0.38 -0.01 -0.08 0.00 0.42 0.00 0.00 57.03 57.74 2kdn h ASP 101 Cb 0.12 -0.24 -0.02 0.00 1.72 0.00 0.00 39.33 40.91 2kdn h ASP 101 CO -0.16 0.73 0.00 0.11 -2.88 0.00 0.00 179.24 177.04 2kdn h LYS 102 N 1.22 0.86 -0.01 0.28 6.56 -1.37 -0.28 116.57 123.84 2kdn h LYS 102 Ca 0.38 -0.24 -0.00 0.00 -1.06 0.00 0.00 60.65 59.73 2kdn h LYS 102 Cb -0.01 -0.10 -0.00 0.00 -0.57 0.00 0.00 32.23 31.55 2kdn h LYS 102 CO -0.11 0.86 0.00 -0.07 -2.06 0.00 0.00 179.45 178.07 2kdn h LEU 103 N 0.80 0.02 -0.85 2.94 3.38 -1.05 0.24 115.31 120.78 2kdn h LEU 103 Ca 0.15 -0.26 -0.10 0.00 0.09 0.00 0.00 57.88 57.76 2kdn h LEU 103 Cb 0.47 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.21 2kdn h LEU 103 CO 0.02 0.27 -0.27 0.07 0.09 0.00 0.00 178.44 178.63 2kdn h LYS 104 N -0.24 0.54 0.04 1.13 2.10 -1.20 -2.86 116.57 116.09 2kdn h LYS 104 Ca 0.00 -0.22 -0.00 0.00 -2.00 0.00 0.00 60.65 58.43 2kdn h LYS 104 Cb 0.26 -0.03 0.00 0.00 -0.90 0.00 0.00 32.23 31.57 2kdn h LYS 104 CO 0.00 0.76 -0.02 1.03 -2.00 0.00 0.00 179.45 179.22 2kdn h SER 105 N 0.48 -0.05 0.00 7.07 0.87 -0.94 -3.45 113.55 117.53 2kdn h SER 105 Ca 0.07 -0.18 0.00 0.00 -1.23 0.00 0.00 61.79 60.45 2kdn h SER 105 Cb 0.71 0.01 0.00 0.00 -0.44 0.00 0.00 62.40 62.69 2kdn h SER 105 CO 0.05 0.15 0.00 2.29 -0.53 0.00 0.00 176.83 178.79 2kdn n LYS 106 N -5.03 0.00 0.00 2.24 0.00 -0.67 -5.06 118.16 109.64 2kdn n LYS 106 Ca -0.08 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.23 2kdn n LYS 106 Cb 0.13 -0.11 0.00 0.00 -0.00 0.00 0.00 35.03 35.05 2kdn n LYS 106 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2kdn n GLY 107 N -0.47 3.25 0.00 2.58 0.00 0.75 -4.92 105.19 106.38 2kdn n GLY 107 Ca 0.00 -0.45 0.14 0.00 0.00 0.00 0.00 46.02 45.71 2kdn n GLY 107 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06