#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 1.71 3.67 -5.12 0.00 -1.26 -5.16 105.19 99.03 2kdn n GLY 2 Ca 0.00 0.13 -0.27 0.00 0.00 0.00 0.00 46.02 45.87 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 2.00 4.83 -0.32 1.61 0.01 -1.26 -5.10 113.70 115.48 2kdn s SER 3 Ca 0.00 -0.34 -0.02 0.00 1.31 0.00 0.00 55.95 56.90 2kdn s SER 3 Cb 0.00 -1.06 0.12 0.00 0.21 0.00 0.00 66.02 65.29 2kdn s SER 3 CO 0.00 0.11 0.19 -0.44 0.41 0.00 0.00 173.24 173.51 2kdn s SER 4 N -2.79 3.04 -0.73 2.44 0.01 -1.26 -5.08 113.70 109.33 2kdn s SER 4 Ca 0.27 -1.58 -0.26 0.00 1.31 0.00 0.00 55.95 55.68 2kdn s SER 4 Cb -0.10 -0.24 0.01 0.00 0.21 0.00 0.00 66.02 65.90 2kdn s SER 4 CO 0.18 -0.38 1.58 -2.28 0.41 0.00 0.00 173.24 172.75 2kdn s HIS 5 N 1.71 2.02 0.06 2.43 5.04 -1.26 -4.96 115.29 120.34 2kdn s HIS 5 Ca 0.13 0.26 -0.30 0.00 -1.54 0.00 0.00 55.06 53.61 2kdn s HIS 5 Cb -0.18 -4.38 -0.05 0.00 0.04 0.00 0.00 32.58 28.01 2kdn s HIS 5 CO -0.21 -2.13 1.03 -3.38 -2.34 0.00 0.00 174.74 167.71 2kdn s HIS 6 N 7.34 3.66 -0.00 3.88 0.00 -1.26 -5.04 115.29 123.87 2kdn s HIS 6 Ca 0.52 1.65 0.05 0.00 -3.00 0.00 0.00 55.06 54.27 2kdn s HIS 6 Cb -0.09 -3.17 -0.03 0.00 -4.00 0.00 0.00 32.58 25.29 2kdn s HIS 6 CO 0.14 -0.24 -0.14 -3.38 -1.00 0.00 0.00 174.74 170.11 2kdn s HIS 7 N 0.58 2.68 -0.30 0.38 -0.00 -1.26 -5.11 115.29 112.26 2kdn s HIS 7 Ca 0.51 -0.18 -0.14 0.00 -0.00 0.00 0.00 55.06 55.26 2kdn s HIS 7 Cb -0.24 -1.56 0.17 0.00 -0.00 0.00 0.00 32.58 30.95 2kdn s HIS 7 CO 0.30 0.25 0.99 -1.58 -0.00 0.00 0.00 174.74 174.70 2kdn s HIS 8 N -0.87 -0.68 -0.20 0.38 5.65 -1.26 -5.15 115.29 113.16 2kdn s HIS 8 Ca 0.14 1.09 -0.08 0.00 0.25 0.00 0.00 55.06 56.45 2kdn s HIS 8 Cb -0.11 0.37 0.08 0.00 -1.18 0.00 0.00 32.58 31.75 2kdn s HIS 8 CO 0.04 -0.34 0.45 -3.38 -0.65 0.00 0.00 174.74 170.86 2kdn s HIS 9 N 2.52 -0.80 -0.79 3.88 -0.00 -1.26 -5.09 115.29 113.74 2kdn s HIS 9 Ca -0.01 1.56 -0.21 0.00 -0.00 0.00 0.00 55.06 56.40 2kdn s HIS 9 Cb -0.07 0.36 0.09 0.00 -0.00 0.00 0.00 32.58 32.96 2kdn s HIS 9 CO -0.17 -0.46 1.07 -1.58 -0.00 0.00 0.00 174.74 173.60 2kdn s HIS 10 N 2.20 2.84 -0.15 0.38 5.65 -1.26 -4.99 115.29 119.96 2kdn s HIS 10 Ca -0.05 -0.90 0.00 0.00 0.25 0.00 0.00 55.06 54.36 2kdn s HIS 10 Cb -0.10 -4.32 0.03 0.00 -1.18 0.00 0.00 32.58 27.00 2kdn s HIS 10 CO -0.14 -1.61 -0.11 -1.12 -0.65 0.00 0.00 174.74 171.11 2kdn s SER 11 N 3.76 2.68 -0.25 9.88 0.01 -1.26 -5.10 113.70 123.42 2kdn s SER 11 Ca 0.28 -0.52 0.03 0.00 1.31 0.00 0.00 55.95 57.05 2kdn s SER 11 Cb -0.11 -1.07 0.06 0.00 0.21 0.00 0.00 66.02 65.11 2kdn s SER 11 CO 0.01 -0.10 -0.11 -0.94 0.41 0.00 0.00 173.24 172.51 2kdn s SER 12 N 1.55 4.29 0.00 2.44 1.04 -1.26 -4.91 113.70 116.86 2kdn s SER 12 Ca 0.04 -1.32 0.00 0.00 0.48 0.00 0.00 55.95 55.14 2kdn s SER 12 Cb -0.14 -1.51 0.00 0.00 0.10 0.00 0.00 66.02 64.47 2kdn s SER 12 CO -0.09 -0.18 0.00 0.61 0.98 0.00 0.00 173.24 174.56 2kdn n GLY 13 N 4.47 0.35 0.00 7.32 0.00 -1.26 -5.08 105.19 110.99 2kdn n GLY 13 Ca -0.14 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 45.56 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 0.00 2.94 -0.10 1.61 0.00 -1.26 -4.77 116.66 115.09 2kdn n ARG 14 Ca 0.00 0.00 0.07 0.00 -0.00 0.00 0.00 57.85 57.92 2kdn n ARG 14 Cb 0.00 -0.67 0.27 0.00 -0.00 0.00 0.00 32.46 32.06 2kdn n ARG 14 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.63 176.78 2kdn n GLU 15 N -0.77 1.60 0.07 2.89 0.00 -1.26 -3.84 120.64 119.34 2kdn n GLU 15 Ca 0.00 -0.93 0.11 0.00 0.00 0.00 0.00 57.16 56.35 2kdn n GLU 15 Cb 0.00 -1.29 0.45 0.00 0.00 0.00 0.00 31.44 30.59 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 0.19 0.43 0.11 -1.84 0.23 -1.26 -2.09 115.26 111.04 2kdn n ASN 16 Ca 0.13 0.58 0.13 0.00 -0.53 0.00 0.00 54.58 54.88 2kdn n ASN 16 Cb 0.25 -0.68 0.44 0.00 -2.08 0.00 0.00 39.78 37.72 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 -1.94 0.74 -4.64 -4.53 4.32 -1.25 -4.70 117.00 104.99 2kdn n LEU 17 Ca 0.04 0.61 -0.36 0.00 -0.02 0.00 0.00 56.01 56.28 2kdn n LEU 17 Cb 0.28 -0.43 -0.10 0.00 -1.62 0.00 0.00 43.42 41.56 2kdn n LEU 17 CO 0.22 -0.33 -0.19 -0.31 -1.22 0.00 0.00 177.39 175.55 2kdn s TYR 18 N -3.19 3.29 -1.03 -1.77 1.51 -0.89 -4.96 117.35 110.32 2kdn s TYR 18 Ca 0.08 0.16 0.16 0.00 -1.01 0.00 0.00 57.07 56.46 2kdn s TYR 18 Cb 0.11 -2.24 0.69 0.00 -0.11 0.00 0.00 41.96 40.41 2kdn s TYR 18 CO 0.51 0.05 1.58 1.97 -1.11 0.00 0.00 175.55 178.55 2kdn n PHE 19 N 4.22 1.48 -2.87 2.71 -1.74 -1.26 -4.90 117.46 115.10 2kdn n PHE 19 Ca -0.15 -0.57 -0.17 0.00 -0.56 0.00 0.00 57.45 56.00 2kdn n PHE 19 Cb 0.52 -0.28 0.03 0.00 1.52 0.00 0.00 39.48 41.27 2kdn n PHE 19 CO 0.00 0.00 0.00 1.04 -0.56 0.00 0.00 176.76 177.24 2kdn n GLN 20 N 0.95 -3.89 -0.17 3.97 3.00 -1.26 -4.92 117.38 115.06 2kdn n GLN 20 Ca 0.24 0.67 -0.05 0.00 -0.01 0.00 0.00 57.00 57.85 2kdn n GLN 20 Cb 0.89 -5.04 0.04 0.00 0.00 0.00 0.00 30.24 26.13 2kdn n GLN 20 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.06 177.84 2kdn h GLY 21 N -1.14 0.72 -6.83 1.08 0.00 -2.00 -3.38 103.07 91.52 2kdn h GLY 21 Ca -0.40 -0.22 -0.55 0.00 0.00 0.00 0.00 47.33 46.17 2kdn h GLY 21 CO 0.42 0.18 -0.78 -2.38 0.00 0.00 0.00 176.54 173.98 2kdn s HIS 22 N -6.14 0.65 -0.14 5.60 -3.43 -1.26 -4.96 115.29 105.61 2kdn s HIS 22 Ca -0.13 -1.15 -0.04 0.00 -0.80 0.00 0.00 55.06 52.94 2kdn s HIS 22 Cb 0.13 -1.07 -0.07 0.00 -1.43 0.00 0.00 32.58 30.14 2kdn s HIS 22 CO 0.74 -0.84 -0.16 -1.33 -2.00 0.00 0.00 174.74 171.15 2kdn n MET 23 N 5.00 0.32 -3.64 -0.38 2.00 -1.26 -5.05 117.12 114.11 2kdn n MET 23 Ca -0.03 0.11 -0.10 0.00 0.00 0.00 0.00 57.70 57.68 2kdn n MET 23 Cb 0.41 -1.12 -0.07 0.00 0.00 0.00 0.00 33.22 32.45 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 4.60 1.11 -0.69 0.00 6.09 -1.99 -1.36 117.51 125.27 2kdn h ILE 25 Ca -0.30 -0.35 -0.05 0.00 -1.37 0.00 0.00 64.86 62.79 2kdn h ILE 25 Cb 1.20 0.81 -0.03 0.00 0.47 0.00 0.00 36.82 39.27 2kdn h ILE 25 CO 0.12 0.13 0.22 -0.61 -3.07 0.00 0.00 178.15 174.94 2kdn h GLN 26 N 0.37 1.06 -0.23 2.19 4.15 -2.00 -2.11 115.11 118.54 2kdn h GLN 26 Ca 0.09 -0.21 -0.09 0.00 0.77 0.00 0.00 58.65 59.21 2kdn h GLN 26 Cb 0.09 -0.16 -0.01 0.00 0.21 0.00 0.00 27.48 27.61 2kdn h GLN 26 CO -0.01 0.90 -0.25 -0.22 -1.93 0.00 0.00 178.83 177.31 2kdn h LYS 27 N 1.02 0.43 0.47 1.69 1.63 -1.68 -0.82 116.57 119.30 2kdn h LYS 27 Ca 0.23 -0.16 -0.02 0.00 -0.85 0.00 0.00 60.65 59.85 2kdn h LYS 27 Cb 0.28 -0.03 -0.00 0.00 -0.60 0.00 0.00 32.23 31.88 2kdn h LYS 27 CO -0.01 0.66 -0.27 0.28 -3.45 0.00 0.00 179.45 176.66 2kdn h VAL 28 N 0.38 0.44 -0.41 2.00 2.07 -0.71 0.13 116.25 120.16 2kdn h VAL 28 Ca 0.06 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.55 2kdn h VAL 28 Cb 0.65 0.44 -0.02 0.00 -1.52 0.00 0.00 31.29 30.85 2kdn h VAL 28 CO 0.05 0.00 0.13 0.40 0.02 0.00 0.00 177.57 178.17 2kdn h ILE 29 N -0.70 1.21 -0.31 4.57 5.03 -1.46 -1.45 117.51 124.41 2kdn h ILE 29 Ca -0.06 -0.70 0.07 0.00 -0.12 0.00 0.00 64.86 64.05 2kdn h ILE 29 Cb 0.56 0.90 -0.07 0.00 -3.03 0.00 0.00 36.82 35.18 2kdn h ILE 29 CO 0.07 0.25 -0.14 -0.08 -0.68 0.00 0.00 178.15 177.56 2kdn h GLU 30 N 0.52 -0.09 -0.21 2.37 4.81 -0.98 -2.64 114.58 118.36 2kdn h GLU 30 Ca 0.13 0.01 -0.18 0.00 -0.13 0.00 0.00 59.36 59.19 2kdn h GLU 30 Cb 0.25 0.02 -0.00 0.00 0.63 0.00 0.00 28.75 29.65 2kdn h GLU 30 CO -0.01 -0.06 -0.60 0.22 -0.73 0.00 0.00 179.01 177.83 2kdn h ASP 31 N -0.10 0.79 0.60 1.04 3.58 -0.61 -2.17 116.42 119.56 2kdn h ASP 31 Ca 0.16 -0.45 -0.03 0.00 0.42 0.00 0.00 57.03 57.13 2kdn h ASP 31 Cb 0.34 -0.23 0.01 0.00 1.72 0.00 0.00 39.33 41.16 2kdn h ASP 31 CO -0.37 1.21 -0.29 0.50 -2.88 0.00 0.00 179.24 177.41 2kdn h LYS 32 N 0.52 -0.78 0.00 0.28 1.63 -0.99 -1.51 116.57 115.72 2kdn h LYS 32 Ca -0.00 0.05 -0.08 0.00 -0.85 0.00 0.00 60.65 59.77 2kdn h LYS 32 Cb 1.19 0.18 -0.01 0.00 -0.60 0.00 0.00 32.23 32.98 2kdn h LYS 32 CO 0.12 -0.52 -0.38 1.37 -3.45 0.00 0.00 179.45 176.60 2kdn h LEU 33 N -0.82 0.00 -0.68 5.20 8.10 -1.57 -3.11 115.31 122.44 2kdn h LEU 33 Ca -0.08 0.00 -0.13 0.00 0.11 0.00 0.00 57.88 57.78 2kdn h LEU 33 Cb 0.62 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 40.83 2kdn h LEU 33 CO 0.14 0.38 -0.32 -1.28 -4.11 0.00 0.00 178.44 173.24 2kdn h SER 34 N 0.00 0.70 0.65 0.17 0.87 -1.16 0.17 113.55 114.95 2kdn h SER 34 Ca -0.00 -0.28 -0.08 0.00 -1.23 0.00 0.00 61.79 60.19 2kdn h SER 34 Cb 0.99 -0.19 -0.01 0.00 -0.44 0.00 0.00 62.40 62.75 2kdn h SER 34 CO 0.05 0.97 -0.39 0.28 -0.53 0.00 0.00 176.83 177.20 2kdn h SER 35 N 0.57 0.00 0.00 6.23 0.02 -1.21 -0.31 113.55 118.85 2kdn h SER 35 Ca 0.06 0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 60.95 2kdn h SER 35 Cb 0.82 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.35 2kdn h SER 35 CO 0.07 0.39 -0.47 0.00 -1.14 0.00 0.00 176.83 175.68 2kdn h ALA 36 N 1.61 0.07 0.09 3.77 0.00 -1.41 -3.40 119.26 120.00 2kdn h ALA 36 Ca -0.00 -0.58 -0.30 0.00 0.00 0.00 0.00 54.91 54.03 2kdn h ALA 36 Cb 0.82 0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.93 2kdn h ALA 36 CO 0.05 0.32 -1.54 -0.07 0.00 0.00 0.00 179.25 178.01 2kdn h LEU 37 N -1.00 0.31 -2.28 0.00 3.38 -1.09 -3.50 115.31 111.13 2kdn h LEU 37 Ca -0.10 -0.46 -0.01 0.00 0.09 0.00 0.00 57.88 57.41 2kdn h LEU 37 Cb 0.72 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.37 2kdn h LEU 37 CO -0.06 1.38 -0.76 1.17 0.09 0.00 0.00 178.44 180.27 2kdn n LYS 38 N -3.39 -2.84 -3.23 1.13 4.81 -0.13 -4.81 118.16 109.69 2kdn n LYS 38 Ca -0.16 2.39 -0.24 0.00 -0.87 0.00 0.00 58.31 59.43 2kdn n LYS 38 Cb 1.04 -5.34 -0.00 0.00 0.02 0.00 0.00 35.03 30.74 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 -2.13 3.37 0.19 1.64 0.04 -1.26 -4.81 135.00 132.05 2kdn s PRO 39 Ca 0.13 -0.36 0.21 0.00 0.04 0.00 0.00 61.00 61.03 2kdn s PRO 39 Cb -0.04 -2.62 -0.01 0.00 0.04 0.00 0.00 34.50 31.88 2kdn s PRO 39 CO 0.76 0.02 1.04 1.79 0.04 0.00 0.00 177.00 180.65 2kdn h THR 40 N 0.63 0.10 -3.45 1.26 1.35 -0.88 -3.46 112.91 108.46 2kdn h THR 40 Ca -0.49 -1.19 -0.27 0.00 -0.55 0.00 0.00 66.41 63.92 2kdn h THR 40 Cb 1.23 1.63 -0.32 0.00 -1.73 0.00 0.00 68.15 68.96 2kdn h THR 40 CO 0.60 0.06 -0.67 0.12 -0.25 0.00 0.00 175.52 175.37 2kdn s PHE 41 N -3.27 -0.05 -0.03 4.73 5.36 -1.03 -5.04 117.98 118.64 2kdn s PHE 41 Ca -0.01 0.24 -0.01 0.00 -0.96 0.00 0.00 56.93 56.20 2kdn s PHE 41 Cb 0.09 -0.14 0.03 0.00 -0.34 0.00 0.00 43.02 42.67 2kdn s PHE 41 CO 0.79 -0.10 0.06 -1.17 -1.46 0.00 0.00 175.22 173.33 2kdn s LEU 42 N 0.89 0.79 -0.04 6.12 2.96 -1.26 -1.10 118.68 127.04 2kdn s LEU 42 Ca -0.07 0.10 -0.01 0.00 -0.22 0.00 0.00 54.13 53.93 2kdn s LEU 42 Cb -0.10 -0.00 0.03 0.00 0.50 0.00 0.00 46.19 46.62 2kdn s LEU 42 CO -0.03 -0.16 0.04 -0.70 -1.32 0.00 0.00 176.35 174.17 2kdn s GLU 43 N 1.35 0.07 -0.31 1.98 2.12 -0.96 -5.00 118.70 117.94 2kdn s GLU 43 Ca -0.06 0.25 -0.16 0.00 0.36 0.00 0.00 54.97 55.37 2kdn s GLU 43 Cb -0.13 -0.49 -0.02 0.00 0.26 0.00 0.00 34.13 33.75 2kdn s GLU 43 CO -0.04 -0.25 0.40 -0.51 -0.54 0.00 0.00 175.26 174.32 2kdn s LEU 44 N 1.69 4.25 -0.18 2.70 1.02 -1.26 -0.44 118.68 126.45 2kdn s LEU 44 Ca -0.01 0.03 -0.08 0.00 0.02 0.00 0.00 54.13 54.10 2kdn s LEU 44 Cb -0.13 -2.42 -0.04 0.00 0.02 0.00 0.00 46.19 43.62 2kdn s LEU 44 CO -0.03 -0.30 0.07 -0.69 0.02 0.00 0.00 176.35 175.42 2kdn s VAL 45 N 2.11 4.89 -0.69 -1.59 1.01 0.50 -4.93 120.40 121.71 2kdn s VAL 45 Ca 0.14 0.00 -0.27 0.00 0.00 0.00 0.00 61.98 61.85 2kdn s VAL 45 Cb -0.16 -3.20 0.03 0.00 0.00 0.00 0.00 36.38 33.05 2kdn s VAL 45 CO 0.11 0.47 1.30 -0.62 0.00 0.00 0.00 175.10 176.36 2kdn s ASP 46 N 0.27 6.17 -1.20 3.32 2.15 -1.26 -1.17 116.67 124.96 2kdn s ASP 46 Ca 0.04 -0.27 -0.04 0.00 0.43 0.00 0.00 52.55 52.71 2kdn s ASP 46 Cb -0.12 -2.56 0.16 0.00 -0.30 0.00 0.00 42.92 40.10 2kdn s ASP 46 CO -0.00 -1.79 2.29 0.29 -0.17 0.00 0.00 175.17 175.79 2kdn n LYS 47 N 9.16 4.62 -0.02 4.34 4.76 -1.24 -4.68 118.16 135.10 2kdn n LYS 47 Ca 0.05 -3.65 0.00 0.00 -2.87 0.00 0.00 58.31 51.84 2kdn n LYS 47 Cb 0.49 -2.56 0.01 0.00 -1.84 0.00 0.00 35.03 31.13 2kdn n LYS 47 CO 0.00 0.00 0.00 -1.13 -1.37 0.00 0.00 177.40 174.90 2kdn n SER 48 N 1.25 0.77 -0.29 4.39 3.41 -1.25 -3.73 113.62 118.18 2kdn n SER 48 Ca 0.58 -2.02 -0.03 0.00 -0.26 0.00 0.00 58.87 57.14 2kdn n SER 48 Cb 0.27 -0.32 0.08 0.00 -0.26 0.00 0.00 64.21 63.98 2kdn n SER 48 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2kdn n GLY 50 N -1.32 0.54 3.22 0.00 0.00 -1.25 -5.10 105.19 101.28 2kdn n GLY 50 Ca 0.09 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.99 2kdn n GLY 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kdn s GLY 52 N -1.76 1.61 -1.56 0.00 0.00 -1.26 -3.88 107.32 100.47 2kdn s GLY 52 Ca -0.09 -1.55 -0.11 0.00 0.00 0.00 0.00 44.72 42.97 2kdn s GLY 52 CO -0.00 -1.56 0.72 -1.30 0.00 0.00 0.00 173.10 170.95 2kdn n THR 53 N 0.52 -2.02 -3.77 0.90 -2.24 -1.26 -4.82 114.28 101.59 2kdn n THR 53 Ca -0.15 -0.18 -0.13 0.00 -2.27 0.00 0.00 64.05 61.33 2kdn n THR 53 Cb 0.55 -2.33 -0.12 0.00 -2.10 0.00 0.00 70.33 66.33 2kdn n THR 53 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 2kdn s SER 54 N -3.67 -0.24 0.28 3.42 0.01 -1.26 -4.07 113.70 108.17 2kdn s SER 54 Ca 0.47 0.48 0.10 0.00 1.31 0.00 0.00 55.95 58.31 2kdn s SER 54 Cb -0.25 0.45 -0.05 0.00 0.21 0.00 0.00 66.02 66.37 2kdn s SER 54 CO 0.89 -0.11 -0.15 -0.36 0.41 0.00 0.00 173.24 173.92 2kdn s PHE 55 N 0.49 2.19 -0.13 2.43 0.08 -1.26 -3.61 117.98 118.16 2kdn s PHE 55 Ca -0.03 -0.44 0.02 0.00 0.12 0.00 0.00 56.93 56.60 2kdn s PHE 55 Cb -0.04 -1.06 0.00 0.00 -0.57 0.00 0.00 43.02 41.35 2kdn s PHE 55 CO -0.02 0.59 -0.19 0.34 -0.10 0.00 0.00 175.22 175.83 2kdn s ASP 56 N -3.49 3.38 -0.30 1.36 -1.08 -0.31 -1.33 116.67 114.90 2kdn s ASP 56 Ca 0.29 -0.52 -0.08 0.00 -0.52 0.00 0.00 52.55 51.72 2kdn s ASP 56 Cb -0.02 -1.49 -0.00 0.00 -1.46 0.00 0.00 42.92 39.95 2kdn s ASP 56 CO 0.14 0.12 0.12 0.00 0.52 0.00 0.00 175.17 176.06 2kdn s ALA 57 N 0.62 3.19 -0.45 3.66 0.00 0.36 -0.37 121.76 128.77 2kdn s ALA 57 Ca -0.11 -1.38 -0.28 0.00 0.00 0.00 0.00 51.96 50.19 2kdn s ALA 57 Cb -0.16 -2.27 0.03 0.00 0.00 0.00 0.00 23.12 20.72 2kdn s ALA 57 CO 0.03 -0.87 1.05 0.08 0.00 0.00 0.00 175.76 176.06 2kdn s VAL 58 N 1.57 4.34 -0.31 0.00 1.01 0.42 -0.52 120.40 126.91 2kdn s VAL 58 Ca 0.04 1.15 -0.08 0.00 0.00 0.00 0.00 61.98 63.09 2kdn s VAL 58 Cb -0.17 -4.51 0.01 0.00 0.00 0.00 0.00 36.38 31.70 2kdn s VAL 58 CO 0.05 -0.86 0.12 -0.51 0.00 0.00 0.00 175.10 173.89 2kdn s ILE 59 N 4.09 4.25 -0.40 2.22 -1.16 -0.27 -2.28 121.20 127.66 2kdn s ILE 59 Ca 0.44 -0.64 -0.06 0.00 -0.51 0.00 0.00 60.65 59.88 2kdn s ILE 59 Cb -0.09 -3.21 0.09 0.00 0.61 0.00 0.00 42.46 39.85 2kdn s ILE 59 CO 0.27 0.03 0.21 -0.69 -2.81 0.00 0.00 174.94 171.95 2kdn s VAL 60 N 1.54 3.73 -0.04 4.00 1.01 -0.26 -0.37 120.40 130.00 2kdn s VAL 60 Ca 0.03 -1.63 -0.22 0.00 0.00 0.00 0.00 61.98 60.16 2kdn s VAL 60 Cb -0.17 -3.35 0.05 0.00 0.00 0.00 0.00 36.38 32.90 2kdn s VAL 60 CO 0.04 -0.52 0.49 -0.55 0.00 0.00 0.00 175.10 174.56 2kdn s SER 61 N 1.92 -0.42 0.51 3.32 0.15 -0.49 -0.07 113.70 118.61 2kdn s SER 61 Ca 0.04 0.43 0.33 0.00 0.70 0.00 0.00 55.95 57.45 2kdn s SER 61 Cb -0.23 0.46 1.51 0.00 -1.71 0.00 0.00 66.02 66.06 2kdn s SER 61 CO -0.01 -0.50 2.00 0.78 1.20 0.00 0.00 173.24 176.71 2kdn h ASN 62 N 3.56 0.00 -0.53 5.45 2.35 -1.87 -3.19 115.58 121.35 2kdn h ASN 62 Ca -0.28 0.00 0.16 0.00 -0.55 0.00 0.00 56.30 55.62 2kdn h ASN 62 Cb 1.16 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 39.51 2kdn h ASN 62 CO 0.38 0.00 0.72 -1.13 -1.65 0.00 0.00 177.43 175.75 2kdn h ASN 63 N 0.00 0.00 -0.05 5.81 -1.24 -1.88 0.14 115.58 118.37 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 0.00 0.49 -1.29 0.00 0.00 177.43 176.63 2kdn n PHE 64 N -3.37 0.12 0.35 0.67 3.72 -1.21 -4.71 117.46 113.03 2kdn n PHE 64 Ca 0.11 -0.79 0.13 0.00 -0.05 0.00 0.00 57.45 56.85 2kdn n PHE 64 Cb 0.91 -0.12 0.56 0.00 -0.94 0.00 0.00 39.48 39.89 2kdn n PHE 64 CO 0.00 0.00 0.00 1.05 -0.05 0.00 0.00 176.76 177.76 2kdn h GLU 65 N 0.29 0.00 -0.58 -1.08 -0.00 -0.89 -1.80 114.58 110.52 2kdn h GLU 65 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.36 2kdn h GLU 65 Cb 0.86 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.61 2kdn h GLU 65 CO 0.02 0.00 0.00 -3.47 -0.00 0.00 0.00 179.01 175.56 2kdn n ASP 66 N -2.43 1.53 -3.52 3.06 2.03 -1.26 -4.85 116.55 111.11 2kdn n ASP 66 Ca 0.01 -2.12 -0.19 0.00 0.52 0.00 0.00 54.79 53.02 2kdn n ASP 66 Cb 0.22 -0.35 0.07 0.00 -0.72 0.00 0.00 41.12 40.34 2kdn n ASP 66 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 2kdn n LYS 67 N 0.07 -5.55 -2.41 -0.67 5.02 -0.68 -4.86 118.16 109.08 2kdn n LYS 67 Ca 0.06 0.76 -0.37 0.00 -2.02 0.00 0.00 58.31 56.74 2kdn n LYS 67 Cb 0.32 -5.58 -0.03 0.00 -0.02 0.00 0.00 35.03 29.71 2kdn n LYS 67 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 2kdn s LYS 68 N -5.52 3.30 -0.06 1.97 -0.14 -1.22 -4.76 119.74 113.32 2kdn s LYS 68 Ca 0.05 -0.95 -0.20 0.00 -1.36 0.00 0.00 55.97 53.51 2kdn s LYS 68 Cb -0.01 -5.29 -0.15 0.00 -1.68 0.00 0.00 37.83 30.71 2kdn s LYS 68 CO 0.76 -2.58 0.79 1.25 -0.76 0.00 0.00 175.35 174.81 2kdn h LEU 69 N 14.31 -0.18 -1.15 3.17 6.46 -1.93 -2.12 115.31 133.87 2kdn h LEU 69 Ca 0.19 -0.33 -0.08 0.00 -0.12 0.00 0.00 57.88 57.53 2kdn h LEU 69 Cb 1.00 0.05 -0.01 0.00 -0.73 0.00 0.00 40.66 40.96 2kdn h LEU 69 CO 1.37 0.38 -0.34 0.17 -0.62 0.00 0.00 178.44 179.39 2kdn h LEU 70 N -0.90 0.15 -0.35 2.25 -0.00 -2.00 -2.15 115.31 112.31 2kdn h LEU 70 Ca -0.02 -0.05 -0.19 0.00 -0.00 0.00 0.00 57.88 57.61 2kdn h LEU 70 Cb 0.51 -0.04 -0.00 0.00 -0.00 0.00 0.00 40.66 41.12 2kdn h LEU 70 CO 0.04 0.49 -0.75 -0.78 -0.00 0.00 0.00 178.44 177.43 2kdn h ASP 71 N 0.13 0.55 -0.79 0.17 3.58 -1.94 -0.80 116.42 117.31 2kdn h ASP 71 Ca 0.02 -0.36 -0.03 0.00 0.42 0.00 0.00 57.03 57.07 2kdn h ASP 71 Cb 0.67 -0.16 -0.04 0.00 1.72 0.00 0.00 39.33 41.52 2kdn h ASP 71 CO 0.05 1.12 0.36 -0.09 -2.88 0.00 0.00 179.24 177.80 2kdn h ARG 72 N 0.31 1.16 0.10 0.28 1.12 -1.07 0.02 114.38 116.29 2kdn h ARG 72 Ca -0.04 -0.18 -0.00 0.00 -1.11 0.00 0.00 59.98 58.65 2kdn h ARG 72 Cb 1.34 -0.20 0.00 0.00 -0.01 0.00 0.00 29.97 31.10 2kdn h ARG 72 CO 0.13 0.90 -0.05 1.25 -3.11 0.00 0.00 179.97 179.10 2kdn h HIS 73 N 1.14 -0.12 -0.11 2.20 2.76 -1.10 -2.58 115.15 117.33 2kdn h HIS 73 Ca 0.27 -0.00 -0.02 0.00 -2.20 0.00 0.00 60.37 58.42 2kdn h HIS 73 Cb 0.15 0.04 -0.00 0.00 1.55 0.00 0.00 27.41 29.14 2kdn h HIS 73 CO 0.02 0.16 -0.01 0.07 -1.30 0.00 0.00 177.93 176.87 2kdn h ARG 74 N -0.41 0.19 -0.46 5.26 0.11 -1.02 -2.37 114.38 115.68 2kdn h ARG 74 Ca -0.01 -0.07 -0.01 0.00 0.10 0.00 0.00 59.98 59.99 2kdn h ARG 74 Cb 0.34 -0.02 -0.02 0.00 1.11 0.00 0.00 29.97 31.38 2kdn h ARG 74 CO 0.02 0.46 0.26 -0.07 0.10 0.00 0.00 179.97 180.74 2kdn h LEU 75 N -0.09 0.57 -0.75 0.08 -0.00 -1.08 0.23 115.31 114.27 2kdn h LEU 75 Ca 0.03 -0.08 0.01 0.00 -0.00 0.00 0.00 57.88 57.84 2kdn h LEU 75 Cb 0.38 -0.14 -0.04 0.00 -0.00 0.00 0.00 40.66 40.86 2kdn h LEU 75 CO 0.01 0.48 0.50 0.58 -0.00 0.00 0.00 178.44 180.01 2kdn h VAL 76 N 0.60 1.19 -0.42 1.22 2.07 -1.47 -1.88 116.25 117.56 2kdn h VAL 76 Ca 0.16 -0.35 -0.06 0.00 0.82 0.00 0.00 66.70 67.28 2kdn h VAL 76 Cb 0.04 0.09 -0.02 0.00 -1.52 0.00 0.00 31.29 29.88 2kdn h VAL 76 CO -0.03 0.19 0.04 0.78 0.02 0.00 0.00 177.57 178.57 2kdn h ASN 77 N 1.02 0.69 0.55 0.57 -0.26 -0.86 0.43 115.58 117.71 2kdn h ASN 77 Ca 0.28 -0.28 -0.03 0.00 -0.56 0.00 0.00 56.30 55.71 2kdn h ASN 77 Cb -0.12 -0.18 0.01 0.00 -1.06 0.00 0.00 38.32 36.96 2kdn h ASN 77 CO -0.06 0.80 -0.26 0.74 -1.06 0.00 0.00 177.43 177.58 2kdn h THR 78 N 0.56 0.44 0.02 2.81 2.02 -0.65 -1.67 112.91 116.44 2kdn h THR 78 Ca 0.12 -0.14 -0.04 0.00 0.77 0.00 0.00 66.41 67.12 2kdn h THR 78 Cb 0.42 0.50 0.00 0.00 -1.74 0.00 0.00 68.15 67.33 2kdn h THR 78 CO 0.01 0.02 -0.19 0.40 0.37 0.00 0.00 175.52 176.14 2kdn h ILE 79 N -0.83 1.68 0.00 3.11 5.03 -1.41 -3.31 117.51 121.78 2kdn h ILE 79 Ca -0.08 -2.22 0.00 0.00 -0.12 0.00 0.00 64.86 62.44 2kdn h ILE 79 Cb 0.60 3.16 0.00 0.00 -3.03 0.00 0.00 36.82 37.55 2kdn h ILE 79 CO 0.12 0.59 0.00 0.18 -0.68 0.00 0.00 178.15 178.37 2kdn n LEU 80 N -4.52 0.00 -0.07 1.44 4.32 0.14 -2.11 117.00 116.20 2kdn n LEU 80 Ca -0.10 0.33 -0.09 0.00 -0.02 0.00 0.00 56.01 56.13 2kdn n LEU 80 Cb 0.53 -0.33 -0.03 0.00 -1.62 0.00 0.00 43.42 41.97 2kdn n LEU 80 CO 0.37 -0.11 0.65 0.50 -1.22 0.00 0.00 177.39 177.58 2kdn h LYS 81 N 0.00 -0.30 -0.04 3.23 1.63 -1.38 0.14 116.57 119.85 2kdn h LYS 81 Ca 0.00 0.02 -0.25 0.00 -0.85 0.00 0.00 60.65 59.57 2kdn h LYS 81 Cb 0.22 0.07 0.02 0.00 -0.60 0.00 0.00 32.23 31.94 2kdn h LYS 81 CO 0.00 -0.20 -0.95 1.49 -3.45 0.00 0.00 179.45 176.35 2kdn h GLU 82 N -0.31 0.72 -0.22 1.90 4.81 -1.64 -3.34 114.58 116.50 2kdn h GLU 82 Ca 0.14 -0.71 0.05 0.00 -0.13 0.00 0.00 59.36 58.71 2kdn h GLU 82 Cb 0.53 0.19 -0.06 0.00 0.63 0.00 0.00 28.75 30.05 2kdn h GLU 82 CO -0.45 1.30 -0.14 1.49 -0.73 0.00 0.00 179.01 180.48 2kdn h GLU 83 N 0.41 -0.12 -0.97 1.92 4.57 -1.23 -2.35 114.58 116.81 2kdn h GLU 83 Ca -0.11 0.01 0.28 0.00 -1.18 0.00 0.00 59.36 58.36 2kdn h GLU 83 Cb 1.59 0.03 -0.04 0.00 -0.16 0.00 0.00 28.75 30.17 2kdn h GLU 83 CO 0.19 -0.08 0.69 -0.07 -1.18 0.00 0.00 179.01 178.56 2kdn h LEU 84 N -0.13 0.05 -1.94 1.64 3.38 -0.85 -1.79 115.31 115.67 2kdn h LEU 84 Ca 0.12 0.01 0.15 0.00 0.09 0.00 0.00 57.88 58.25 2kdn h LEU 84 Cb 0.31 -0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.04 2kdn h LEU 84 CO -0.30 0.02 0.50 1.56 0.09 0.00 0.00 178.44 180.31 2kdn h GLN 85 N 0.05 0.00 -0.14 1.13 1.08 -1.59 0.33 115.11 115.97 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 1.79 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 29.22 2kdn h GLN 85 CO -0.03 0.00 0.00 0.09 -0.95 0.00 0.00 178.83 177.94 2kdn n ASN 86 N -3.80 3.13 -4.16 1.46 3.02 -0.67 -4.97 115.26 109.26 2kdn n ASN 86 Ca 0.10 -1.99 -0.24 0.00 -0.03 0.00 0.00 54.58 52.42 2kdn n ASN 86 Cb 0.70 -0.07 -0.09 0.00 -0.61 0.00 0.00 39.78 39.71 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 -1.83 0.67 0.00 2.41 1.01 0.11 -5.06 121.20 118.51 2kdn s ILE 87 Ca 0.31 -2.00 0.00 0.00 0.00 0.00 0.00 60.65 58.96 2kdn s ILE 87 Cb 0.21 -2.46 0.00 0.00 0.01 0.00 0.00 42.46 40.22 2kdn s ILE 87 CO 0.30 0.00 0.00 1.41 0.00 0.00 0.00 174.94 176.65 2kdn n HIS 88 N -0.82 0.00 -2.56 3.97 8.25 -1.26 -4.91 115.22 117.89 2kdn n HIS 88 Ca -0.04 0.00 -0.37 0.00 -0.26 0.00 0.00 57.72 57.04 2kdn n HIS 88 Cb 0.65 0.05 0.01 0.00 1.12 0.00 0.00 29.99 31.82 2kdn n HIS 88 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2kdn n ALA 89 N -1.92 5.84 -1.78 -1.41 0.00 -1.26 -5.02 120.51 114.95 2kdn n ALA 89 Ca 0.00 -4.53 -0.37 0.00 0.00 0.00 0.00 53.44 48.54 2kdn n ALA 89 Cb 0.00 -1.79 -0.04 0.00 0.00 0.00 0.00 19.45 17.62 2kdn n ALA 89 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 2kdn s PHE 90 N -4.09 3.31 0.17 0.00 5.36 -1.26 -4.41 117.98 117.06 2kdn s PHE 90 Ca 0.44 1.65 -0.01 0.00 -0.96 0.00 0.00 56.93 58.05 2kdn s PHE 90 Cb 0.26 -3.14 -0.04 0.00 -0.34 0.00 0.00 43.02 39.76 2kdn s PHE 90 CO -0.19 -0.61 0.10 0.45 -1.46 0.00 0.00 175.22 173.52 2kdn s SER 91 N -1.48 0.22 -0.01 6.13 0.15 -0.44 -5.00 113.70 113.27 2kdn s SER 91 Ca 0.56 -1.28 -0.13 0.00 0.70 0.00 0.00 55.95 55.79 2kdn s SER 91 Cb -0.23 0.34 0.02 0.00 -1.71 0.00 0.00 66.02 64.44 2kdn s SER 91 CO 0.29 -0.79 0.27 0.00 1.20 0.00 0.00 173.24 174.22 2kdn s MET 92 N -4.10 0.63 -0.24 5.44 0.23 -1.26 -0.49 119.30 119.51 2kdn s MET 92 Ca 0.31 -0.23 0.01 0.00 -1.03 0.00 0.00 55.69 54.75 2kdn s MET 92 Cb 0.07 0.28 0.06 0.00 -1.53 0.00 0.00 34.83 33.71 2kdn s MET 92 CO 0.07 -0.17 -0.06 0.15 -2.03 0.00 0.00 175.02 172.98 2kdn s LYS 93 N -1.33 1.68 -0.10 3.16 -0.14 0.32 -4.86 119.74 118.47 2kdn s LYS 93 Ca -0.14 -1.04 -0.26 0.00 -1.36 0.00 0.00 55.97 53.17 2kdn s LYS 93 Cb -0.06 -2.62 -0.02 0.00 -1.68 0.00 0.00 37.83 33.45 2kdn s LYS 93 CO 0.04 -0.60 0.85 0.00 -0.76 0.00 0.00 175.35 174.88 2kdn s HIS 95 N 1.53 0.59 0.18 0.00 3.76 0.50 -4.97 115.29 116.88 2kdn s HIS 95 Ca 0.42 -1.02 0.08 0.00 -0.15 0.00 0.00 55.06 54.39 2kdn s HIS 95 Cb -0.18 -0.33 -0.04 0.00 1.11 0.00 0.00 32.58 33.14 2kdn s HIS 95 CO 0.18 -0.51 -0.05 0.95 -0.85 0.00 0.00 174.74 174.46 2kdn s THR 96 N -3.97 3.47 0.57 1.30 -4.23 -1.26 -1.39 115.64 110.12 2kdn s THR 96 Ca 0.15 -1.54 0.26 0.00 -1.18 0.00 0.00 61.69 59.38 2kdn s THR 96 Cb 0.07 -2.73 0.34 0.00 1.34 0.00 0.00 72.50 71.51 2kdn s THR 96 CO -0.04 -0.11 2.19 -0.65 -0.54 0.00 0.00 174.62 175.47 2kdn h PRO 97 N 2.79 0.00 -0.33 3.99 0.11 -1.84 -1.17 132.00 135.55 2kdn h PRO 97 Ca -0.47 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.64 2kdn h PRO 97 Cb 1.20 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.30 2kdn h PRO 97 CO 0.56 0.00 0.19 -0.07 -0.21 0.00 0.00 178.00 178.48 2kdn h LEU 98 N 0.00 0.41 -0.25 2.35 -0.00 -1.96 -1.61 115.31 114.25 2kdn h LEU 98 Ca 0.03 -0.07 -0.17 0.00 -0.00 0.00 0.00 57.88 57.67 2kdn h LEU 98 Cb 0.15 -0.10 0.00 0.00 -0.00 0.00 0.00 40.66 40.70 2kdn h LEU 98 CO -0.00 0.36 -0.52 -0.33 -0.00 0.00 0.00 178.44 177.95 2kdn h GLU 99 N 0.42 0.78 -0.93 1.13 4.39 -1.69 -3.24 114.58 115.45 2kdn h GLU 99 Ca 0.12 -0.52 0.07 0.00 0.34 0.00 0.00 59.36 59.38 2kdn h GLU 99 Cb 0.03 0.07 -0.07 0.00 -0.10 0.00 0.00 28.75 28.68 2kdn h GLU 99 CO -0.02 1.14 0.58 -0.92 -1.16 0.00 0.00 179.01 178.63 2kdn h TYR 100 N 0.53 1.08 -0.67 4.33 3.20 -1.09 -1.46 116.97 122.89 2kdn h TYR 100 Ca 0.00 0.03 0.05 0.00 3.14 0.00 0.00 58.73 61.96 2kdn h TYR 100 Cb 1.13 -0.35 -0.04 0.00 1.54 0.00 0.00 36.73 39.01 2kdn h TYR 100 CO 0.08 0.53 0.44 0.22 -1.64 0.00 0.00 178.16 177.79 2kdn h ASP 101 N 1.04 0.64 0.50 -2.11 3.58 -1.31 0.13 116.42 118.88 2kdn h ASP 101 Ca 0.41 -0.00 -0.17 0.00 0.42 0.00 0.00 57.03 57.69 2kdn h ASP 101 Cb 0.22 -0.14 -0.01 0.00 1.72 0.00 0.00 39.33 41.12 2kdn h ASP 101 CO -0.19 0.42 -0.75 0.11 -2.88 0.00 0.00 179.24 175.95 2kdn h LYS 102 N 0.73 0.20 0.12 0.28 6.56 -1.38 -2.25 116.57 120.83 2kdn h LYS 102 Ca 0.28 -0.18 -0.01 0.00 -1.06 0.00 0.00 60.65 59.69 2kdn h LYS 102 Cb 0.19 0.04 0.00 0.00 -0.57 0.00 0.00 32.23 31.89 2kdn h LYS 102 CO -0.09 0.86 -0.06 -0.07 -2.06 0.00 0.00 179.45 178.03 2kdn h LEU 103 N 0.13 -0.13 -0.72 2.94 3.38 -0.51 -3.08 115.31 117.32 2kdn h LEU 103 Ca -0.03 -0.35 0.00 0.00 0.09 0.00 0.00 57.88 57.59 2kdn h LEU 103 Cb 1.32 0.03 0.00 0.00 0.09 0.00 0.00 40.66 42.10 2kdn h LEU 103 CO 0.11 0.31 0.00 2.29 0.09 0.00 0.00 178.44 181.24 2kdn n LYS 104 N -4.96 0.16 -0.01 1.13 2.85 0.30 -0.34 118.16 117.29 2kdn n LYS 104 Ca -0.09 0.44 0.05 0.00 -1.05 0.00 0.00 58.31 57.66 2kdn n LYS 104 Cb 0.25 -1.84 0.43 0.00 -0.65 0.00 0.00 35.03 33.22 2kdn n LYS 104 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 177.40 178.38 2kdn h SER 105 N 0.00 0.46 0.00 -5.58 0.87 -1.30 -3.29 113.55 104.71 2kdn h SER 105 Ca 0.00 -0.01 -0.13 0.00 -1.23 0.00 0.00 61.79 60.42 2kdn h SER 105 Cb 0.29 -0.11 -0.02 0.00 -0.44 0.00 0.00 62.40 62.12 2kdn h SER 105 CO 0.00 0.33 -1.47 2.29 -0.53 0.00 0.00 176.83 177.45 2kdn n LYS 106 N -4.47 0.20 0.00 2.24 0.00 -1.00 -5.06 118.16 110.06 2kdn n LYS 106 Ca 0.04 0.06 0.00 0.00 -0.00 0.00 0.00 58.31 58.40 2kdn n LYS 106 Cb 0.09 -1.07 0.00 0.00 -0.00 0.00 0.00 35.03 34.05 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 2.95 1.14 0.93 2.58 0.00 0.53 -5.15 105.19 108.17 2kdn n GLY 107 Ca -0.15 0.00 0.12 0.00 0.00 0.00 0.00 46.02 45.99 2kdn n GLY 107 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18