#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 0.77 3.65 -5.12 0.00 -1.18 -4.92 105.19 98.39 2kdn n GLY 2 Ca 0.00 -1.29 -0.42 0.00 0.00 0.00 0.00 46.02 44.30 2kdn n GLY 2 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2kdn s SER 3 N -4.00 6.27 0.00 1.61 0.01 -1.26 -4.64 113.70 111.69 2kdn s SER 3 Ca 0.00 2.53 0.00 0.00 1.31 0.00 0.00 55.95 59.79 2kdn s SER 3 Cb 0.00 -2.53 0.00 0.00 0.21 0.00 0.00 66.02 63.70 2kdn s SER 3 CO 0.00 -1.22 0.00 -1.20 0.41 0.00 0.00 173.24 171.23 2kdn n SER 4 N 8.29 3.65 -4.47 2.44 7.64 -1.26 -4.99 113.62 124.92 2kdn n SER 4 Ca 0.22 0.00 -0.42 0.00 1.01 0.00 0.00 58.87 59.68 2kdn n SER 4 Cb 0.42 0.69 -0.10 0.00 -1.01 0.00 0.00 64.21 64.20 2kdn n SER 4 CO 0.00 0.00 0.00 -2.28 -3.01 0.00 0.00 175.04 169.75 2kdn s HIS 5 N -1.49 3.23 -0.27 1.43 2.46 -1.26 -5.06 115.29 114.33 2kdn s HIS 5 Ca 0.00 -0.50 -0.08 0.00 0.47 0.00 0.00 55.06 54.95 2kdn s HIS 5 Cb 0.00 -2.52 -0.02 0.00 -0.13 0.00 0.00 32.58 29.91 2kdn s HIS 5 CO 0.00 -0.51 0.09 -1.58 -2.47 0.00 0.00 174.74 170.27 2kdn s HIS 6 N 1.68 3.12 0.09 3.88 5.04 -1.26 -4.77 115.29 123.06 2kdn s HIS 6 Ca 0.05 -0.52 -0.31 0.00 -1.54 0.00 0.00 55.06 52.74 2kdn s HIS 6 Cb -0.18 -2.27 -0.07 0.00 0.04 0.00 0.00 32.58 30.10 2kdn s HIS 6 CO 0.10 -0.41 1.33 -1.58 -2.34 0.00 0.00 174.74 171.84 2kdn s HIS 7 N 1.60 3.27 -0.20 3.88 2.46 -1.26 -4.95 115.29 120.10 2kdn s HIS 7 Ca 0.05 1.05 -0.29 0.00 0.47 0.00 0.00 55.06 56.34 2kdn s HIS 7 Cb -0.16 -3.60 -0.03 0.00 -0.13 0.00 0.00 32.58 28.66 2kdn s HIS 7 CO 0.04 -2.05 1.70 -1.58 -2.47 0.00 0.00 174.74 170.38 2kdn s HIS 8 N 1.21 1.94 -0.49 3.88 2.46 -1.26 -4.86 115.29 118.17 2kdn s HIS 8 Ca 0.63 0.45 -0.07 0.00 0.47 0.00 0.00 55.06 56.54 2kdn s HIS 8 Cb -0.34 -4.00 -0.20 0.00 -0.13 0.00 0.00 32.58 27.91 2kdn s HIS 8 CO 0.30 -3.28 3.24 1.58 -2.47 0.00 0.00 174.74 174.10 2kdn n HIS 9 N 8.66 0.73 -3.64 3.88 -0.00 -1.26 -4.63 115.22 118.95 2kdn n HIS 9 Ca 0.20 -1.90 -0.04 0.00 -0.00 0.00 0.00 57.72 55.99 2kdn n HIS 9 Cb 0.45 -1.80 -0.07 0.00 -0.00 0.00 0.00 29.99 28.57 2kdn n HIS 9 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2kdn s HIS 10 N 1.53 -0.46 -0.27 1.57 5.04 -1.26 -5.11 115.29 116.32 2kdn s HIS 10 Ca 0.64 0.98 -0.31 0.00 -1.54 0.00 0.00 55.06 54.83 2kdn s HIS 10 Cb 0.26 0.33 -0.07 0.00 0.04 0.00 0.00 32.58 33.14 2kdn s HIS 10 CO -0.02 -0.23 2.22 0.43 -2.34 0.00 0.00 174.74 174.80 2kdn n SER 11 N 3.09 2.81 -2.61 9.88 7.64 -1.26 -4.82 113.62 128.36 2kdn n SER 11 Ca -0.16 0.26 -0.13 0.00 1.01 0.00 0.00 58.87 59.85 2kdn n SER 11 Cb 0.57 -1.45 0.02 0.00 -1.01 0.00 0.00 64.21 62.35 2kdn n SER 11 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 2kdn n SER 12 N 11.10 2.42 -1.01 6.43 3.41 -1.26 -4.90 113.62 129.80 2kdn n SER 12 Ca 0.34 -2.94 -0.01 0.00 -0.26 0.00 0.00 58.87 56.00 2kdn n SER 12 Cb 0.37 -0.50 0.08 0.00 -0.26 0.00 0.00 64.21 63.89 2kdn n SER 12 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2kdn n GLY 13 N -0.24 2.14 0.24 5.00 0.00 -1.26 -2.95 105.19 108.12 2kdn n GLY 13 Ca 0.18 -0.24 -0.25 0.00 0.00 0.00 0.00 46.02 45.71 2kdn n GLY 13 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2kdn n ARG 14 N 0.13 0.51 0.01 1.61 1.74 -1.26 -4.69 116.66 114.71 2kdn n ARG 14 Ca 0.10 0.23 0.11 0.00 -0.77 0.00 0.00 57.85 57.51 2kdn n ARG 14 Cb 0.59 -1.37 -0.10 0.00 -1.02 0.00 0.00 32.46 30.57 2kdn n ARG 14 CO 0.00 0.00 0.00 -0.85 -1.52 0.00 0.00 177.63 175.26 2kdn n GLU 15 N -4.12 0.43 0.00 5.56 0.00 -1.24 -4.29 120.64 116.98 2kdn n GLU 15 Ca -0.46 -0.08 0.01 0.00 0.00 0.00 0.00 57.16 56.63 2kdn n GLU 15 Cb 0.82 -1.56 0.08 0.00 0.00 0.00 0.00 31.44 30.78 2kdn n GLU 15 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.13 177.40 2kdn n ASN 16 N -2.06 0.00 0.02 -1.84 2.04 -1.15 -2.26 115.26 110.00 2kdn n ASN 16 Ca -0.01 -1.31 0.13 0.00 -0.44 0.00 0.00 54.58 52.96 2kdn n ASN 16 Cb 0.49 0.00 0.50 0.00 -2.53 0.00 0.00 39.78 38.24 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 -0.56 0.24 -4.52 -4.53 4.32 -1.26 -4.74 117.00 105.94 2kdn n LEU 17 Ca 0.02 0.42 -0.34 0.00 -0.02 0.00 0.00 56.01 56.08 2kdn n LEU 17 Cb 0.01 -0.42 -0.12 0.00 -1.62 0.00 0.00 43.42 41.28 2kdn n LEU 17 CO 0.02 -0.01 -0.31 -0.31 -1.22 0.00 0.00 177.39 175.55 2kdn s TYR 18 N -3.02 3.10 0.00 -1.77 2.02 -0.96 -4.98 117.35 111.73 2kdn s TYR 18 Ca 0.13 -0.24 0.00 0.00 -0.37 0.00 0.00 57.07 56.58 2kdn s TYR 18 Cb 0.17 -2.05 0.00 0.00 -0.40 0.00 0.00 41.96 39.69 2kdn s TYR 18 CO 0.58 -0.06 1.13 1.97 -1.57 0.00 0.00 175.55 177.60 2kdn n PHE 19 N 3.82 0.00 -1.99 2.71 1.16 -1.26 -4.85 117.46 117.04 2kdn n PHE 19 Ca -0.17 -0.57 -0.43 0.00 -1.87 0.00 0.00 57.45 54.42 2kdn n PHE 19 Cb 0.52 -0.30 -0.03 0.00 -1.61 0.00 0.00 39.48 38.06 2kdn n PHE 19 CO 0.00 0.00 0.00 -0.65 -1.87 0.00 0.00 176.76 174.24 2kdn s GLN 20 N 0.19 3.28 0.00 3.97 -1.52 -1.26 -4.91 119.66 119.41 2kdn s GLN 20 Ca 0.00 1.38 0.00 0.00 -1.95 0.00 0.00 55.36 54.79 2kdn s GLN 20 Cb 0.00 -4.21 0.00 0.00 -0.22 0.00 0.00 33.01 28.58 2kdn s GLN 20 CO 0.00 -1.93 0.00 0.41 -0.25 0.00 0.00 175.29 173.52 2kdn n GLY 21 N 5.45 4.88 3.78 3.09 0.00 -1.26 -5.17 105.19 115.95 2kdn n GLY 21 Ca 0.23 -1.32 -0.26 0.00 0.00 0.00 0.00 46.02 44.67 2kdn n GLY 21 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2kdn s HIS 22 N -1.23 3.10 -0.53 1.61 2.46 -1.26 -5.02 115.29 114.42 2kdn s HIS 22 Ca 0.00 -0.05 -0.27 0.00 0.47 0.00 0.00 55.06 55.22 2kdn s HIS 22 Cb 0.00 -1.48 -0.08 0.00 -0.13 0.00 0.00 32.58 30.89 2kdn s HIS 22 CO 0.00 0.52 2.44 -1.33 -2.47 0.00 0.00 174.74 173.90 2kdn n MET 23 N -0.41 0.98 -3.87 2.88 2.81 -1.26 -4.73 117.12 113.51 2kdn n MET 23 Ca -0.08 0.02 -0.09 0.00 -1.81 0.00 0.00 57.70 55.74 2kdn n MET 23 Cb 0.55 -3.26 -0.07 0.00 -0.71 0.00 0.00 33.22 29.73 2kdn n MET 23 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2kdn h ILE 25 N 2.77 0.78 -0.15 0.00 6.09 -2.00 -1.32 117.51 123.68 2kdn h ILE 25 Ca -0.34 -0.07 0.02 0.00 -1.37 0.00 0.00 64.86 63.10 2kdn h ILE 25 Cb 1.20 0.56 -0.02 0.00 0.47 0.00 0.00 36.82 39.03 2kdn h ILE 25 CO 0.57 0.04 0.04 -0.61 -3.07 0.00 0.00 178.15 175.11 2kdn h GLN 26 N 0.20 0.10 0.00 2.19 4.15 -1.96 -2.52 115.11 117.28 2kdn h GLN 26 Ca 0.29 -0.01 -0.08 0.00 0.77 0.00 0.00 58.65 59.62 2kdn h GLN 26 Cb 0.89 -0.02 -0.01 0.00 0.21 0.00 0.00 27.48 28.55 2kdn h GLN 26 CO -0.05 0.07 -0.40 0.87 -1.93 0.00 0.00 178.83 177.39 2kdn h LYS 27 N 0.11 0.00 0.34 1.69 1.79 -1.54 -0.34 116.57 118.61 2kdn h LYS 27 Ca 0.06 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.52 2kdn h LYS 27 Cb 0.05 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.69 2kdn h LYS 27 CO -0.08 0.40 -0.21 0.28 -1.08 0.00 0.00 179.45 178.76 2kdn h VAL 28 N 0.00 0.55 -0.09 0.50 2.07 -1.04 0.12 116.25 118.37 2kdn h VAL 28 Ca -0.00 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.51 2kdn h VAL 28 Cb 0.85 0.55 -0.00 0.00 -1.52 0.00 0.00 31.29 31.17 2kdn h VAL 28 CO 0.05 0.00 0.02 0.40 0.02 0.00 0.00 177.57 178.06 2kdn h ILE 29 N -0.53 1.21 0.11 4.57 5.03 -1.32 -2.39 117.51 124.20 2kdn h ILE 29 Ca -0.03 -0.64 0.01 0.00 -0.12 0.00 0.00 64.86 64.08 2kdn h ILE 29 Cb 0.44 1.47 -0.01 0.00 -3.03 0.00 0.00 36.82 35.69 2kdn h ILE 29 CO 0.03 0.18 -0.13 -0.08 -0.68 0.00 0.00 178.15 177.47 2kdn h GLU 30 N -0.09 -0.27 -0.10 2.37 4.81 -0.99 -2.23 114.58 118.09 2kdn h GLU 30 Ca 0.03 0.02 -0.09 0.00 -0.13 0.00 0.00 59.36 59.18 2kdn h GLU 30 Cb 0.27 0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.70 2kdn h GLU 30 CO 0.00 -0.18 -0.37 -0.44 -0.73 0.00 0.00 179.01 177.30 2kdn h ASP 31 N -0.28 0.21 0.40 1.04 3.32 -0.81 -0.47 116.42 119.82 2kdn h ASP 31 Ca 0.01 -0.08 -0.02 0.00 0.02 0.00 0.00 57.03 56.96 2kdn h ASP 31 Cb 0.27 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 39.77 2kdn h ASP 31 CO -0.05 0.56 -0.19 0.50 -1.72 0.00 0.00 179.24 178.34 2kdn h LYS 32 N 0.17 -0.52 0.00 3.56 3.64 -1.07 -1.04 116.57 121.32 2kdn h LYS 32 Ca 0.02 0.04 -0.05 0.00 -1.27 0.00 0.00 60.65 59.38 2kdn h LYS 32 Cb 0.73 0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.66 2kdn h LYS 32 CO 0.06 -0.21 -0.25 1.37 -2.27 0.00 0.00 179.45 178.15 2kdn h LEU 33 N -0.85 0.00 -0.67 5.20 8.10 -1.41 -1.96 115.31 123.72 2kdn h LEU 33 Ca -0.05 0.00 -0.13 0.00 0.11 0.00 0.00 57.88 57.81 2kdn h LEU 33 Cb 0.54 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 40.75 2kdn h LEU 33 CO 0.09 0.25 -0.36 -1.28 -4.11 0.00 0.00 178.44 173.02 2kdn h SER 34 N 0.00 0.65 -0.03 0.17 0.87 -1.01 0.76 113.55 114.96 2kdn h SER 34 Ca -0.00 -0.28 -0.02 0.00 -1.23 0.00 0.00 61.79 60.26 2kdn h SER 34 Cb 0.83 -0.18 0.00 0.00 -0.44 0.00 0.00 62.40 62.61 2kdn h SER 34 CO 0.03 0.95 -0.06 0.28 -0.53 0.00 0.00 176.83 177.50 2kdn h SER 35 N 0.52 0.11 0.13 6.23 0.02 -0.90 -1.98 113.55 117.68 2kdn h SER 35 Ca 0.05 -0.58 -0.01 0.00 -0.84 0.00 0.00 61.79 60.41 2kdn h SER 35 Cb 0.87 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 63.38 2kdn h SER 35 CO 0.07 0.67 -0.06 0.00 -1.14 0.00 0.00 176.83 176.37 2kdn h ALA 36 N 0.44 -0.18 0.09 3.77 0.00 -1.34 -3.34 119.26 118.70 2kdn h ALA 36 Ca 0.00 -0.23 -0.26 0.00 0.00 0.00 0.00 54.91 54.42 2kdn h ALA 36 Cb 0.65 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 2kdn h ALA 36 CO 0.01 -0.23 -1.21 -0.07 0.00 0.00 0.00 179.25 177.75 2kdn h LEU 37 N -0.91 0.28 -2.39 0.00 3.38 -1.04 -3.49 115.31 111.14 2kdn h LEU 37 Ca -0.02 -0.31 -0.03 0.00 0.09 0.00 0.00 57.88 57.60 2kdn h LEU 37 Cb 0.52 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.18 2kdn h LEU 37 CO 0.03 1.25 -0.62 1.17 0.09 0.00 0.00 178.44 180.35 2kdn n LYS 38 N -3.46 -2.45 -3.20 1.13 4.81 -0.74 -4.71 118.16 109.54 2kdn n LYS 38 Ca -0.07 2.13 -0.34 0.00 -0.87 0.00 0.00 58.31 59.16 2kdn n LYS 38 Cb 1.00 -5.28 -0.06 0.00 0.02 0.00 0.00 35.03 30.71 2kdn n LYS 38 CO 0.00 0.00 0.00 -1.25 1.17 0.00 0.00 177.40 177.32 2kdn s PRO 39 N -2.47 4.04 0.29 1.64 0.05 -1.26 -4.60 135.00 132.68 2kdn s PRO 39 Ca 0.23 0.64 0.19 0.00 0.05 0.00 0.00 61.00 62.12 2kdn s PRO 39 Cb -0.06 -2.65 0.12 0.00 0.05 0.00 0.00 34.50 31.96 2kdn s PRO 39 CO 0.77 0.29 1.34 1.79 0.05 0.00 0.00 177.00 181.24 2kdn h THR 40 N 2.29 0.37 -3.35 1.26 1.35 -0.64 -3.44 112.91 110.76 2kdn h THR 40 Ca -0.48 -1.57 -0.29 0.00 -0.55 0.00 0.00 66.41 63.53 2kdn h THR 40 Cb 1.18 2.06 -0.34 0.00 -1.73 0.00 0.00 68.15 69.32 2kdn h THR 40 CO 0.66 0.21 -0.67 0.12 -0.25 0.00 0.00 175.52 175.59 2kdn s PHE 41 N -3.11 -0.06 -0.04 4.73 5.36 -0.72 -5.03 117.98 119.11 2kdn s PHE 41 Ca 0.03 0.33 -0.02 0.00 -0.96 0.00 0.00 56.93 56.31 2kdn s PHE 41 Cb 0.07 -0.22 0.03 0.00 -0.34 0.00 0.00 43.02 42.56 2kdn s PHE 41 CO 0.74 -0.15 0.10 -1.17 -1.46 0.00 0.00 175.22 173.27 2kdn s LEU 42 N 1.39 1.16 -0.13 6.12 2.96 -1.26 -0.54 118.68 128.37 2kdn s LEU 42 Ca -0.06 0.20 -0.12 0.00 -0.22 0.00 0.00 54.13 53.93 2kdn s LEU 42 Cb -0.12 0.24 0.03 0.00 0.50 0.00 0.00 46.19 46.84 2kdn s LEU 42 CO -0.04 -0.10 0.35 -0.70 -1.32 0.00 0.00 176.35 174.53 2kdn s GLU 43 N 0.73 0.40 -0.17 1.98 2.12 -0.99 -5.01 118.70 117.76 2kdn s GLU 43 Ca -0.06 0.48 -0.21 0.00 0.36 0.00 0.00 54.97 55.54 2kdn s GLU 43 Cb -0.08 0.19 -0.03 0.00 0.26 0.00 0.00 34.13 34.48 2kdn s GLU 43 CO -0.03 -0.05 0.65 -0.51 -0.54 0.00 0.00 175.26 174.78 2kdn s LEU 44 N 0.21 4.18 -0.14 2.70 2.01 -1.26 -0.99 118.68 125.38 2kdn s LEU 44 Ca -0.00 0.90 -0.06 0.00 0.01 0.00 0.00 54.13 54.98 2kdn s LEU 44 Cb -0.03 -2.93 -0.04 0.00 0.01 0.00 0.00 46.19 43.20 2kdn s LEU 44 CO 0.00 -0.25 0.07 -0.69 1.01 0.00 0.00 176.35 176.50 2kdn s VAL 45 N 1.71 4.92 -0.47 -1.59 1.01 0.54 -4.96 120.40 121.55 2kdn s VAL 45 Ca 0.30 -0.00 -0.27 0.00 0.00 0.00 0.00 61.98 62.01 2kdn s VAL 45 Cb -0.16 -3.16 -0.02 0.00 0.00 0.00 0.00 36.38 33.04 2kdn s VAL 45 CO 0.11 0.54 1.80 -0.62 0.00 0.00 0.00 175.10 176.94 2kdn s ASP 46 N -0.35 5.61 -1.17 3.32 2.15 -1.26 -2.55 116.67 122.42 2kdn s ASP 46 Ca 0.09 0.79 -0.07 0.00 0.43 0.00 0.00 52.55 53.80 2kdn s ASP 46 Cb -0.12 -2.53 0.25 0.00 -0.30 0.00 0.00 42.92 40.22 2kdn s ASP 46 CO 0.02 -2.02 1.63 1.17 -0.17 0.00 0.00 175.17 175.80 2kdn n LYS 47 N 8.76 4.06 0.18 4.34 3.00 -1.24 -4.72 118.16 132.55 2kdn n LYS 47 Ca 0.21 -4.10 0.14 0.00 -0.00 0.00 0.00 58.31 54.56 2kdn n LYS 47 Cb 0.50 -2.70 0.57 0.00 0.00 0.00 0.00 35.03 33.40 2kdn n LYS 47 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.40 178.43 2kdn h SER 48 N 5.65 0.00 -3.71 3.14 0.87 -1.82 -3.36 113.55 114.32 2kdn h SER 48 Ca 0.28 0.00 -0.76 0.00 -1.23 0.00 0.00 61.79 60.09 2kdn h SER 48 Cb 0.64 0.00 -0.28 0.00 -0.44 0.00 0.00 62.40 62.32 2kdn h SER 48 CO 1.44 0.00 -0.11 0.00 -0.53 0.00 0.00 176.83 177.64 2kdn n GLY 50 N 4.18 2.41 3.13 0.00 0.00 -1.26 -5.05 105.19 108.61 2kdn n GLY 50 Ca 0.06 -0.09 -0.37 0.00 0.00 0.00 0.00 46.02 45.61 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 2.46 1.51 3.10 0.00 0.00 -1.26 -4.38 105.19 106.61 2kdn n GLY 52 Ca 0.21 0.25 -0.34 0.00 0.00 0.00 0.00 46.02 46.14 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 0.00 2.90 0.08 2.61 2.01 -1.26 -0.04 115.64 121.94 2kdn s THR 53 Ca 0.00 -2.03 0.06 0.00 0.31 0.00 0.00 61.69 60.03 2kdn s THR 53 Cb 0.00 -2.98 -0.03 0.00 0.01 0.00 0.00 72.50 69.50 2kdn s THR 53 CO 0.00 -0.56 -0.16 -0.44 -0.69 0.00 0.00 174.62 172.77 2kdn s SER 54 N 1.44 1.97 0.01 3.53 0.01 -1.26 -3.44 113.70 115.96 2kdn s SER 54 Ca 0.07 -0.62 0.02 0.00 1.31 0.00 0.00 55.95 56.72 2kdn s SER 54 Cb -0.21 -0.09 -0.01 0.00 0.21 0.00 0.00 66.02 65.92 2kdn s SER 54 CO -0.05 -0.01 -0.06 -0.36 0.41 0.00 0.00 173.24 173.17 2kdn s PHE 55 N -1.18 0.49 -0.21 2.43 0.08 -0.73 -3.63 117.98 115.24 2kdn s PHE 55 Ca 0.01 -0.22 0.01 0.00 0.12 0.00 0.00 56.93 56.86 2kdn s PHE 55 Cb -0.10 -0.31 0.04 0.00 -0.57 0.00 0.00 43.02 42.08 2kdn s PHE 55 CO 0.03 -0.04 -0.13 0.34 -0.10 0.00 0.00 175.22 175.32 2kdn s ASP 56 N -0.60 3.55 -0.26 1.36 2.15 -1.06 -0.85 116.67 120.97 2kdn s ASP 56 Ca -0.02 -0.93 -0.08 0.00 0.43 0.00 0.00 52.55 51.95 2kdn s ASP 56 Cb -0.05 -1.38 -0.03 0.00 -0.30 0.00 0.00 42.92 41.17 2kdn s ASP 56 CO -0.00 -0.11 0.08 0.00 -0.17 0.00 0.00 175.17 174.97 2kdn s ALA 57 N 1.30 3.17 -0.39 3.66 0.00 0.10 -0.34 121.76 129.25 2kdn s ALA 57 Ca -0.01 -1.16 -0.29 0.00 0.00 0.00 0.00 51.96 50.50 2kdn s ALA 57 Cb -0.16 -2.11 0.01 0.00 0.00 0.00 0.00 23.12 20.86 2kdn s ALA 57 CO -0.09 -0.54 1.36 0.08 0.00 0.00 0.00 175.76 176.57 2kdn s VAL 58 N 1.61 3.99 -0.30 0.00 1.01 -0.16 -0.39 120.40 126.16 2kdn s VAL 58 Ca 0.06 1.04 -0.03 0.00 0.00 0.00 0.00 61.98 63.05 2kdn s VAL 58 Cb -0.15 -4.23 0.04 0.00 0.00 0.00 0.00 36.38 32.04 2kdn s VAL 58 CO 0.04 -0.72 0.01 -0.51 0.00 0.00 0.00 175.10 173.92 2kdn s ILE 59 N 5.08 3.14 -0.39 2.22 -1.16 0.20 -2.34 121.20 127.95 2kdn s ILE 59 Ca 0.59 -1.29 -0.08 0.00 -0.51 0.00 0.00 60.65 59.36 2kdn s ILE 59 Cb -0.14 -2.78 0.07 0.00 0.61 0.00 0.00 42.46 40.22 2kdn s ILE 59 CO 0.30 -0.09 0.21 -0.69 -2.81 0.00 0.00 174.94 171.86 2kdn s VAL 60 N 1.29 4.06 0.05 4.00 1.01 0.29 -1.44 120.40 129.66 2kdn s VAL 60 Ca -0.04 -1.32 -0.16 0.00 0.00 0.00 0.00 61.98 60.46 2kdn s VAL 60 Cb -0.19 -3.43 0.03 0.00 0.00 0.00 0.00 36.38 32.78 2kdn s VAL 60 CO -0.01 -0.40 0.36 -0.55 0.00 0.00 0.00 175.10 174.50 2kdn s SER 61 N 1.84 -0.20 0.60 3.32 0.15 -0.94 0.19 113.70 118.65 2kdn s SER 61 Ca 0.02 -0.12 0.40 0.00 0.70 0.00 0.00 55.95 56.95 2kdn s SER 61 Cb -0.22 0.39 2.07 0.00 -1.71 0.00 0.00 66.02 66.56 2kdn s SER 61 CO 0.02 -0.65 2.21 0.78 1.20 0.00 0.00 173.24 176.80 2kdn h ASN 62 N 3.08 0.00 0.26 5.45 -0.26 -1.89 -2.60 115.58 119.62 2kdn h ASN 62 Ca -0.32 0.00 -0.02 0.00 -0.56 0.00 0.00 56.30 55.40 2kdn h ASN 62 Cb 1.20 0.00 -0.00 0.00 -1.06 0.00 0.00 38.32 38.46 2kdn h ASN 62 CO 0.45 0.00 -0.12 -0.55 -1.06 0.00 0.00 177.43 176.15 2kdn h ASN 63 N 0.00 0.00 0.62 5.81 -1.07 -1.88 0.89 115.58 119.95 2kdn h ASN 63 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.37 2kdn h ASN 63 Cb 0.10 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.35 2kdn h ASN 63 CO 0.00 0.12 -0.70 0.33 0.07 0.00 0.00 177.43 177.24 2kdn n PHE 64 N -3.84 0.29 0.91 4.14 7.35 -0.98 -3.58 117.46 121.75 2kdn n PHE 64 Ca -0.02 0.09 0.12 0.00 -0.76 0.00 0.00 57.45 56.88 2kdn n PHE 64 Cb 0.21 -0.46 0.32 0.00 0.35 0.00 0.00 39.48 39.90 2kdn n PHE 64 CO 0.00 0.00 0.00 -1.91 -0.76 0.00 0.00 176.76 174.09 2kdn n GLU 65 N -1.87 0.06 0.30 -4.13 4.07 0.19 -3.48 120.64 115.79 2kdn n GLU 65 Ca 0.04 0.02 0.20 0.00 -0.06 0.00 0.00 57.16 57.36 2kdn n GLU 65 Cb 0.40 -1.54 1.00 0.00 -0.06 0.00 0.00 31.44 31.25 2kdn n GLU 65 CO 0.00 0.00 0.00 0.22 -0.06 0.00 0.00 177.13 177.29 2kdn h ASP 66 N 0.00 0.00 0.00 4.31 1.82 -1.30 -3.46 116.42 117.80 2kdn h ASP 66 Ca 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.64 2kdn h ASP 66 Cb 0.55 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.56 2kdn h ASP 66 CO 0.00 0.00 0.00 0.29 -1.61 0.00 0.00 179.24 177.92 2kdn n LYS 67 N -3.00 0.00 -2.11 0.28 4.76 -1.23 -4.93 118.16 111.93 2kdn n LYS 67 Ca -0.02 0.00 -0.39 0.00 -2.87 0.00 0.00 58.31 55.03 2kdn n LYS 67 Cb 0.14 -0.32 -0.03 0.00 -1.84 0.00 0.00 35.03 32.99 2kdn n LYS 67 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 2kdn s LYS 68 N 0.00 2.71 0.21 1.97 -0.14 -1.26 -4.84 119.74 118.38 2kdn s LYS 68 Ca 0.00 0.49 -0.03 0.00 -1.36 0.00 0.00 55.97 55.07 2kdn s LYS 68 Cb 0.00 -4.36 0.16 0.00 -1.68 0.00 0.00 37.83 31.95 2kdn s LYS 68 CO 0.00 -2.65 1.56 1.37 -0.76 0.00 0.00 175.35 174.86 2kdn h LEU 69 N 15.95 0.64 -1.01 3.17 8.10 -1.95 -0.92 115.31 139.27 2kdn h LEU 69 Ca -0.26 -0.30 -0.09 0.00 0.11 0.00 0.00 57.88 57.33 2kdn h LEU 69 Cb 1.15 -0.18 -0.01 0.00 -0.44 0.00 0.00 40.66 41.17 2kdn h LEU 69 CO 1.23 0.99 -0.32 0.17 -4.11 0.00 0.00 178.44 176.40 2kdn h LEU 70 N 0.48 0.31 -0.22 0.17 -0.00 -1.99 0.28 115.31 114.33 2kdn h LEU 70 Ca 0.03 -0.11 -0.22 0.00 -0.00 0.00 0.00 57.88 57.58 2kdn h LEU 70 Cb 0.97 -0.08 0.01 0.00 -0.00 0.00 0.00 40.66 41.55 2kdn h LEU 70 CO 0.09 0.62 -0.82 0.44 -0.00 0.00 0.00 178.44 178.77 2kdn h ASP 71 N 0.26 0.73 -0.71 0.17 3.32 -1.90 0.13 116.42 118.43 2kdn h ASP 71 Ca 0.03 -0.51 0.05 0.00 0.02 0.00 0.00 57.03 56.62 2kdn h ASP 71 Cb 0.71 -0.22 -0.05 0.00 0.22 0.00 0.00 39.33 39.99 2kdn h ASP 71 CO 0.05 1.29 0.43 -0.09 -1.72 0.00 0.00 179.24 179.20 2kdn h ARG 72 N 0.40 0.79 0.28 3.56 1.12 -0.89 -0.59 114.38 119.04 2kdn h ARG 72 Ca -0.06 -0.05 -0.01 0.00 -1.11 0.00 0.00 59.98 58.75 2kdn h ARG 72 Cb 1.43 -0.18 0.00 0.00 -0.01 0.00 0.00 29.97 31.22 2kdn h ARG 72 CO 0.15 0.52 -0.13 1.25 -3.11 0.00 0.00 179.97 178.65 2kdn h HIS 73 N 0.81 -0.35 -0.51 2.20 2.76 -0.69 -2.48 115.15 116.88 2kdn h HIS 73 Ca 0.30 -0.01 -0.05 0.00 -2.20 0.00 0.00 60.37 58.42 2kdn h HIS 73 Cb 0.11 0.12 -0.02 0.00 1.55 0.00 0.00 27.41 29.16 2kdn h HIS 73 CO -0.05 -0.10 0.12 0.07 -1.30 0.00 0.00 177.93 176.66 2kdn h ARG 74 N -0.55 0.78 -0.04 5.26 0.11 -0.83 -0.21 114.38 118.91 2kdn h ARG 74 Ca -0.04 -0.16 -0.00 0.00 0.10 0.00 0.00 59.98 59.88 2kdn h ARG 74 Cb 0.40 -0.12 -0.00 0.00 1.11 0.00 0.00 29.97 31.36 2kdn h ARG 74 CO 0.06 0.71 0.01 -0.07 0.10 0.00 0.00 179.97 180.79 2kdn h LEU 75 N 0.76 0.06 -0.74 0.08 -0.00 -1.10 0.13 115.31 114.49 2kdn h LEU 75 Ca 0.17 -0.20 0.03 0.00 -0.00 0.00 0.00 57.88 57.88 2kdn h LEU 75 Cb 0.29 -0.01 -0.05 0.00 -0.00 0.00 0.00 40.66 40.89 2kdn h LEU 75 CO -0.00 0.24 0.47 0.58 -0.00 0.00 0.00 178.44 179.73 2kdn h VAL 76 N -0.13 1.10 -0.40 1.22 2.07 -1.17 -2.02 116.25 116.92 2kdn h VAL 76 Ca 0.01 -0.31 -0.06 0.00 0.82 0.00 0.00 66.70 67.16 2kdn h VAL 76 Cb 0.20 0.11 -0.02 0.00 -1.52 0.00 0.00 31.29 30.06 2kdn h VAL 76 CO -0.00 0.17 0.01 0.78 0.02 0.00 0.00 177.57 178.55 2kdn h ASN 77 N 0.91 0.59 0.12 0.57 -0.26 -0.78 0.98 115.58 117.72 2kdn h ASN 77 Ca 0.30 -0.12 -0.01 0.00 -0.56 0.00 0.00 56.30 55.91 2kdn h ASN 77 Cb 0.02 -0.16 0.00 0.00 -1.06 0.00 0.00 38.32 37.13 2kdn h ASN 77 CO -0.11 0.65 -0.06 0.74 -1.06 0.00 0.00 177.43 177.59 2kdn h THR 78 N 0.60 0.94 0.03 2.81 2.02 -0.01 -0.51 112.91 118.80 2kdn h THR 78 Ca 0.13 -0.24 -0.04 0.00 0.77 0.00 0.00 66.41 67.03 2kdn h THR 78 Cb 0.36 1.10 0.00 0.00 -1.74 0.00 0.00 68.15 67.87 2kdn h THR 78 CO 0.01 0.06 -0.17 0.40 0.37 0.00 0.00 175.52 176.19 2kdn h ILE 79 N -0.27 1.74 0.00 3.11 5.03 -1.42 -3.30 117.51 122.39 2kdn h ILE 79 Ca -0.02 -2.39 0.00 0.00 -0.12 0.00 0.00 64.86 62.33 2kdn h ILE 79 Cb 0.22 3.36 0.00 0.00 -3.03 0.00 0.00 36.82 37.37 2kdn h ILE 79 CO 0.03 0.63 0.00 0.18 -0.68 0.00 0.00 178.15 178.31 2kdn n LEU 80 N -4.51 0.00 0.08 1.44 4.32 0.33 -2.47 117.00 116.19 2kdn n LEU 80 Ca -0.11 0.11 -0.10 0.00 -0.02 0.00 0.00 56.01 55.90 2kdn n LEU 80 Cb 0.55 -0.11 -0.06 0.00 -1.62 0.00 0.00 43.42 42.18 2kdn n LEU 80 CO 0.37 -0.03 0.51 0.50 -1.22 0.00 0.00 177.39 177.52 2kdn h LYS 81 N 0.00 -0.45 -0.02 3.23 1.63 -1.16 0.09 116.57 119.89 2kdn h LYS 81 Ca 0.00 0.03 -0.19 0.00 -0.85 0.00 0.00 60.65 59.64 2kdn h LYS 81 Cb 0.08 0.10 -0.01 0.00 -0.60 0.00 0.00 32.23 31.81 2kdn h LYS 81 CO 0.00 -0.30 -0.83 1.05 -3.45 0.00 0.00 179.45 175.92 2kdn h GLU 82 N -0.47 0.27 0.04 1.90 4.11 -1.77 -3.35 114.58 115.31 2kdn h GLU 82 Ca -0.01 -0.27 0.03 0.00 0.07 0.00 0.00 59.36 59.18 2kdn h GLU 82 Cb 0.46 0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.74 2kdn h GLU 82 CO -0.15 0.96 -0.22 1.49 0.07 0.00 0.00 179.01 181.15 2kdn h GLU 83 N 0.17 -0.36 -0.96 1.06 4.57 -1.34 -1.36 114.58 116.35 2kdn h GLU 83 Ca -0.04 0.02 0.27 0.00 -1.18 0.00 0.00 59.36 58.44 2kdn h GLU 83 Cb 1.43 0.08 -0.04 0.00 -0.16 0.00 0.00 28.75 30.06 2kdn h GLU 83 CO 0.13 -0.24 0.69 -0.07 -1.18 0.00 0.00 179.01 178.34 2kdn h LEU 84 N -0.37 0.05 -2.33 1.64 3.38 -1.10 0.48 115.31 117.05 2kdn h LEU 84 Ca 0.05 0.01 0.04 0.00 0.09 0.00 0.00 57.88 58.06 2kdn h LEU 84 Cb 0.44 -0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.18 2kdn h LEU 84 CO -0.18 0.02 0.17 1.56 0.09 0.00 0.00 178.44 180.09 2kdn h GLN 85 N 0.05 0.00 0.00 1.13 1.08 -1.39 -0.30 115.11 115.67 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 1.78 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 29.21 2kdn h GLN 85 CO -0.03 0.00 -0.63 0.09 -0.95 0.00 0.00 178.83 177.31 2kdn n ASN 86 N -3.63 0.59 -4.52 1.46 3.02 0.16 -4.92 115.26 107.42 2kdn n ASN 86 Ca 0.00 -0.32 -0.25 0.00 -0.03 0.00 0.00 54.58 53.98 2kdn n ASN 86 Cb 0.27 0.40 -0.10 0.00 -0.61 0.00 0.00 39.78 39.74 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 -3.03 2.23 -0.20 2.41 1.01 -0.12 -5.06 121.20 118.44 2kdn s ILE 87 Ca 0.09 -2.23 -0.14 0.00 0.00 0.00 0.00 60.65 58.37 2kdn s ILE 87 Cb 0.17 -2.57 -0.20 0.00 0.01 0.00 0.00 42.46 39.86 2kdn s ILE 87 CO 0.74 -0.24 0.14 1.57 0.00 0.00 0.00 174.94 177.14 2kdn n HIS 88 N -0.75 0.86 -3.42 3.97 -0.00 -1.22 -4.91 115.22 109.76 2kdn n HIS 88 Ca -0.05 0.29 -0.14 0.00 -0.00 0.00 0.00 57.72 57.83 2kdn n HIS 88 Cb 0.63 -1.10 -0.10 0.00 -0.00 0.00 0.00 29.99 29.42 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 -2.45 -0.69 -0.14 1.57 0.00 -1.23 -5.03 121.76 113.79 2kdn s ALA 89 Ca -0.29 0.56 0.01 0.00 0.00 0.00 0.00 51.96 52.24 2kdn s ALA 89 Cb 0.08 -1.52 -0.00 0.00 0.00 0.00 0.00 23.12 21.68 2kdn s ALA 89 CO 0.63 -1.26 -0.17 0.12 0.00 0.00 0.00 175.76 175.08 2kdn s PHE 90 N 2.44 2.74 0.32 0.00 5.36 -1.26 -1.78 117.98 125.80 2kdn s PHE 90 Ca 0.10 -0.97 0.06 0.00 -0.96 0.00 0.00 56.93 55.17 2kdn s PHE 90 Cb -0.16 -1.84 -0.06 0.00 -0.34 0.00 0.00 43.02 40.62 2kdn s PHE 90 CO -0.15 -0.41 -0.02 -1.54 -1.46 0.00 0.00 175.22 171.64 2kdn s SER 91 N 0.61 3.01 -0.01 6.13 1.04 -0.03 -4.99 113.70 119.45 2kdn s SER 91 Ca -0.09 -1.27 -0.05 0.00 0.48 0.00 0.00 55.95 55.01 2kdn s SER 91 Cb -0.16 -0.22 0.00 0.00 0.10 0.00 0.00 66.02 65.75 2kdn s SER 91 CO 0.03 -0.41 0.11 0.00 0.98 0.00 0.00 173.24 173.95 2kdn s MET 92 N -3.75 0.32 -0.43 4.02 0.23 -1.26 -0.72 119.30 117.72 2kdn s MET 92 Ca 0.33 -0.20 -0.17 0.00 -1.03 0.00 0.00 55.69 54.61 2kdn s MET 92 Cb 0.06 0.14 0.03 0.00 -1.53 0.00 0.00 34.83 33.52 2kdn s MET 92 CO 0.15 -0.07 0.42 0.15 -2.03 0.00 0.00 175.02 173.64 2kdn s LYS 93 N -0.82 3.06 -0.42 3.16 -0.14 0.48 -4.88 119.74 120.19 2kdn s LYS 93 Ca -0.09 -0.86 -0.22 0.00 -1.36 0.00 0.00 55.97 53.44 2kdn s LYS 93 Cb -0.05 -3.99 0.02 0.00 -1.68 0.00 0.00 37.83 32.12 2kdn s LYS 93 CO 0.01 -0.87 0.71 0.00 -0.76 0.00 0.00 175.35 174.43 2kdn s HIS 95 N 2.99 0.60 0.16 0.00 3.76 -0.52 -5.02 115.29 117.26 2kdn s HIS 95 Ca 0.27 -0.85 -0.00 0.00 -0.15 0.00 0.00 55.06 54.32 2kdn s HIS 95 Cb -0.13 -0.39 -0.04 0.00 1.11 0.00 0.00 32.58 33.13 2kdn s HIS 95 CO 0.19 -0.24 0.33 0.95 -0.85 0.00 0.00 174.74 175.12 2kdn s THR 96 N -3.04 5.27 0.43 1.30 -4.23 -1.26 -2.23 115.64 111.87 2kdn s THR 96 Ca 0.02 -0.43 0.34 0.00 -1.18 0.00 0.00 61.69 60.45 2kdn s THR 96 Cb 0.02 -3.71 0.37 0.00 1.34 0.00 0.00 72.50 70.51 2kdn s THR 96 CO -0.05 -0.08 2.16 1.55 -0.54 0.00 0.00 174.62 177.65 2kdn h PRO 97 N 2.30 0.00 -0.28 3.99 0.13 -1.86 0.15 132.00 136.43 2kdn h PRO 97 Ca -0.47 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.57 2kdn h PRO 97 Cb 1.18 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.31 2kdn h PRO 97 CO 0.70 0.05 -0.15 1.25 -0.23 0.00 0.00 178.00 179.61 2kdn h LEU 98 N 0.00 0.62 -0.18 1.56 7.12 -1.95 -2.04 115.31 120.43 2kdn h LEU 98 Ca -0.00 -0.42 -0.22 0.00 0.13 0.00 0.00 57.88 57.37 2kdn h LEU 98 Cb 0.26 -0.17 0.00 0.00 -0.53 0.00 0.00 40.66 40.22 2kdn h LEU 98 CO 0.01 0.90 -0.94 -0.08 -0.13 0.00 0.00 178.44 178.20 2kdn h GLU 99 N 0.34 0.40 -0.37 1.25 4.81 -1.81 -3.15 114.58 116.05 2kdn h GLU 99 Ca 0.06 -0.43 0.04 0.00 -0.13 0.00 0.00 59.36 58.90 2kdn h GLU 99 Cb 0.68 0.12 -0.02 0.00 0.63 0.00 0.00 28.75 30.16 2kdn h GLU 99 CO 0.04 1.10 0.25 -0.92 -0.73 0.00 0.00 179.01 178.75 2kdn h TYR 100 N 0.23 0.31 -0.93 0.92 3.20 -0.66 -1.36 116.97 118.68 2kdn h TYR 100 Ca -0.08 0.01 0.19 0.00 3.14 0.00 0.00 58.73 62.00 2kdn h TYR 100 Cb 1.57 -0.10 -0.08 0.00 1.54 0.00 0.00 36.73 39.66 2kdn h TYR 100 CO 0.06 0.17 0.60 0.22 -1.64 0.00 0.00 178.16 177.57 2kdn h ASP 101 N 0.31 0.52 0.46 -2.11 3.58 -1.32 0.22 116.42 118.09 2kdn h ASP 101 Ca 0.16 0.05 -0.25 0.00 0.42 0.00 0.00 57.03 57.42 2kdn h ASP 101 Cb 0.23 -0.04 0.00 0.00 1.72 0.00 0.00 39.33 41.24 2kdn h ASP 101 CO -0.03 0.21 -1.07 0.11 -2.88 0.00 0.00 179.24 175.57 2kdn h LYS 102 N 0.52 0.35 0.00 0.28 6.56 -1.41 -3.15 116.57 119.72 2kdn h LYS 102 Ca 0.49 -0.45 -0.08 0.00 -1.06 0.00 0.00 60.65 59.55 2kdn h LYS 102 Cb 1.07 0.15 -0.01 0.00 -0.57 0.00 0.00 32.23 32.87 2kdn h LYS 102 CO -0.22 1.15 -0.37 -0.07 -2.06 0.00 0.00 179.45 177.88 2kdn h LEU 103 N 0.16 0.00 0.06 2.94 3.38 -0.81 -2.86 115.31 118.20 2kdn h LEU 103 Ca -0.10 0.00 -0.26 0.00 0.09 0.00 0.00 57.88 57.61 2kdn h LEU 103 Cb 1.74 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.47 2kdn h LEU 103 CO 0.18 0.37 -1.23 0.07 0.09 0.00 0.00 178.44 177.92 2kdn h LYS 104 N 0.00 0.14 -0.59 1.13 2.10 -0.76 -3.32 116.57 115.27 2kdn h LYS 104 Ca -0.00 -0.23 -0.05 0.00 -2.00 0.00 0.00 60.65 58.36 2kdn h LYS 104 Cb 1.15 0.09 -0.02 0.00 -0.90 0.00 0.00 32.23 32.54 2kdn h LYS 104 CO 0.05 1.05 0.16 0.77 -2.00 0.00 0.00 179.45 179.49 2kdn h SER 105 N 0.04 0.88 -5.02 7.07 0.02 -1.48 -3.46 113.55 111.59 2kdn h SER 105 Ca -0.11 -0.22 0.02 0.00 -0.84 0.00 0.00 61.79 60.63 2kdn h SER 105 Cb 1.90 -0.23 -0.03 0.00 0.14 0.00 0.00 62.40 64.18 2kdn h SER 105 CO 0.16 0.87 0.23 -1.59 -1.14 0.00 0.00 176.83 175.35 2kdn s LYS 106 N -5.36 1.99 -0.01 3.45 0.00 -1.09 -5.07 119.74 113.65 2kdn s LYS 106 Ca -0.13 -1.22 0.07 0.00 0.00 0.00 0.00 55.97 54.69 2kdn s LYS 106 Cb 0.13 0.61 -0.10 0.00 0.00 0.00 0.00 37.83 38.46 2kdn s LYS 106 CO 0.81 -0.92 0.15 0.41 0.00 0.00 0.00 175.35 175.81 2kdn n GLY 107 N -0.49 -0.30 0.00 0.59 0.00 -1.26 -4.17 105.19 99.56 2kdn n GLY 107 Ca -0.06 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.80 2kdn n GLY 107 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76