#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 2.06 3.68 3.17 0.00 -1.26 -4.83 105.19 108.01 2kdn n GLY 2 Ca 0.00 0.03 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 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 6.85 -0.21 1.61 0.01 -1.26 -5.00 113.70 111.70 2kdn s SER 3 Ca 0.00 2.06 -0.17 0.00 1.31 0.00 0.00 55.95 59.15 2kdn s SER 3 Cb 0.00 -2.55 0.06 0.00 0.21 0.00 0.00 66.02 63.73 2kdn s SER 3 CO 0.00 -0.74 0.54 -0.55 0.41 0.00 0.00 173.24 172.90 2kdn s SER 4 N 2.06 -0.59 -0.29 2.44 0.15 -1.26 -4.70 113.70 111.51 2kdn s SER 4 Ca 0.64 1.11 -0.01 0.00 0.70 0.00 0.00 55.95 58.38 2kdn s SER 4 Cb -0.30 1.09 0.18 0.00 -1.71 0.00 0.00 66.02 65.28 2kdn s SER 4 CO 0.25 -0.19 0.55 -2.28 1.20 0.00 0.00 173.24 172.77 2kdn s HIS 5 N 0.54 -1.44 -0.27 3.44 5.04 -1.23 -5.02 115.29 116.36 2kdn s HIS 5 Ca -0.02 1.49 -0.28 0.00 -1.54 0.00 0.00 55.06 54.71 2kdn s HIS 5 Cb -0.04 0.44 -0.04 0.00 0.04 0.00 0.00 32.58 32.97 2kdn s HIS 5 CO -0.03 -0.85 2.13 -1.01 -2.34 0.00 0.00 174.74 172.64 2kdn s HIS 6 N 2.79 1.31 0.24 3.88 3.76 -1.24 -4.39 115.29 121.64 2kdn s HIS 6 Ca 0.19 0.63 0.01 0.00 -0.15 0.00 0.00 55.06 55.74 2kdn s HIS 6 Cb -0.15 -3.95 -0.05 0.00 1.11 0.00 0.00 32.58 29.54 2kdn s HIS 6 CO -0.20 -3.71 0.07 -1.01 -0.85 0.00 0.00 174.74 169.04 2kdn s HIS 7 N 8.26 1.46 0.51 1.40 4.02 0.16 -5.01 115.29 126.09 2kdn s HIS 7 Ca 0.95 -1.13 0.03 0.00 1.02 0.00 0.00 55.06 55.93 2kdn s HIS 7 Cb -0.29 -0.85 0.00 0.00 -1.02 0.00 0.00 32.58 30.42 2kdn s HIS 7 CO 0.34 -0.30 0.15 -3.38 1.02 0.00 0.00 174.74 172.58 2kdn s HIS 8 N -3.72 1.84 0.05 1.40 0.00 -1.26 -4.23 115.29 109.37 2kdn s HIS 8 Ca 0.34 -0.89 -0.30 0.00 -3.00 0.00 0.00 55.06 51.21 2kdn s HIS 8 Cb 0.07 -1.74 -0.09 0.00 -4.00 0.00 0.00 32.58 26.82 2kdn s HIS 8 CO 0.11 -0.01 1.95 0.72 -1.00 0.00 0.00 174.74 176.51 2kdn n HIS 9 N -1.43 2.54 0.27 0.38 -0.00 -1.26 -4.81 115.22 110.90 2kdn n HIS 9 Ca -0.12 -0.34 0.14 0.00 -0.00 0.00 0.00 57.72 57.40 2kdn n HIS 9 Cb 0.66 -2.79 0.70 0.00 -0.00 0.00 0.00 29.99 28.56 2kdn n HIS 9 CO 0.00 0.00 0.00 1.25 -0.00 0.00 0.00 176.34 177.59 2kdn h HIS 10 N 10.25 0.00 -2.36 4.41 6.17 -2.05 -3.44 115.15 128.13 2kdn h HIS 10 Ca -0.49 0.00 -0.32 0.00 0.71 0.00 0.00 60.37 60.26 2kdn h HIS 10 Cb 1.24 0.00 -0.01 0.00 2.52 0.00 0.00 27.41 31.15 2kdn h HIS 10 CO 0.93 0.00 -0.42 0.43 0.71 0.00 0.00 177.93 179.58 2kdn n SER 11 N -2.51 -4.82 -4.99 3.26 7.64 -1.26 -5.00 113.62 105.94 2kdn n SER 11 Ca -0.01 -0.02 -0.19 0.00 1.01 0.00 0.00 58.87 59.66 2kdn n SER 11 Cb 0.12 -3.93 -0.00 0.00 -1.01 0.00 0.00 64.21 59.39 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 -2.29 5.95 0.00 6.43 0.01 -1.26 -4.92 113.70 117.61 2kdn s SER 12 Ca 0.01 -0.20 0.00 0.00 1.31 0.00 0.00 55.95 57.07 2kdn s SER 12 Cb -0.00 -1.22 0.00 0.00 0.21 0.00 0.00 66.02 65.01 2kdn s SER 12 CO 0.01 -0.43 0.00 0.61 0.41 0.00 0.00 173.24 173.84 2kdn n GLY 13 N -1.64 0.00 0.01 3.44 0.00 -1.26 -5.00 105.19 100.74 2kdn n GLY 13 Ca -0.00 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.09 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 0.56 -0.22 1.61 0.00 -1.26 -4.46 116.66 112.89 2kdn n ARG 14 Ca 0.00 -0.11 0.04 0.00 -0.00 0.00 0.00 57.85 57.78 2kdn n ARG 14 Cb 0.00 -1.30 0.14 0.00 -0.00 0.00 0.00 32.46 31.30 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 -1.92 1.98 0.02 2.89 0.00 -1.26 -3.34 120.64 119.02 2kdn n GLU 15 Ca -0.02 -1.10 0.12 0.00 0.00 0.00 0.00 57.16 56.16 2kdn n GLU 15 Cb 0.34 -1.44 0.50 0.00 0.00 0.00 0.00 31.44 30.84 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 0.30 0.17 -0.51 -1.84 0.23 -1.26 -1.87 115.26 110.47 2kdn n ASN 16 Ca 0.10 0.52 0.13 0.00 -0.53 0.00 0.00 54.58 54.81 2kdn n ASN 16 Cb 0.38 -0.57 0.42 0.00 -2.08 0.00 0.00 39.78 37.94 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 -1.67 1.66 -3.96 -4.53 4.32 -1.21 -4.72 117.00 106.89 2kdn n LEU 17 Ca 0.06 -0.54 -0.30 0.00 -0.02 0.00 0.00 56.01 55.20 2kdn n LEU 17 Cb 0.31 -0.02 -0.14 0.00 -1.62 0.00 0.00 43.42 41.94 2kdn n LEU 17 CO 0.24 0.28 -0.23 -0.31 -1.22 0.00 0.00 177.39 176.15 2kdn s TYR 18 N -2.10 3.29 -0.86 -1.77 1.51 -0.78 -5.00 117.35 111.65 2kdn s TYR 18 Ca 0.34 -3.09 -0.01 0.00 -1.01 0.00 0.00 57.07 53.30 2kdn s TYR 18 Cb 0.20 -2.81 0.21 0.00 -0.11 0.00 0.00 41.96 39.46 2kdn s TYR 18 CO 0.37 -0.80 0.73 0.12 -1.11 0.00 0.00 175.55 174.85 2kdn s PHE 19 N 0.09 3.83 -0.03 2.71 5.36 -1.26 -4.99 117.98 123.70 2kdn s PHE 19 Ca 0.15 -3.02 -0.01 0.00 -0.96 0.00 0.00 56.93 53.09 2kdn s PHE 19 Cb -0.24 -3.21 0.03 0.00 -0.34 0.00 0.00 43.02 39.26 2kdn s PHE 19 CO -0.03 -0.73 0.06 1.14 -1.46 0.00 0.00 175.22 174.20 2kdn s GLN 20 N -1.24 0.01 0.00 10.12 0.00 -1.26 -5.02 119.66 122.27 2kdn s GLN 20 Ca 0.26 0.20 0.00 0.00 -0.00 0.00 0.00 55.36 55.82 2kdn s GLN 20 Cb -0.08 -0.16 0.00 0.00 0.00 0.00 0.00 33.01 32.76 2kdn s GLN 20 CO -0.12 -0.13 0.00 0.41 0.00 0.00 0.00 175.29 175.45 2kdn n GLY 21 N 3.90 -2.35 3.20 2.60 0.00 -1.26 -5.14 105.19 106.14 2kdn n GLY 21 Ca -0.24 0.76 -0.13 0.00 0.00 0.00 0.00 46.02 46.42 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 -0.15 -0.37 -0.18 1.61 2.46 -1.26 -5.15 115.29 112.26 2kdn s HIS 22 Ca 0.00 0.89 -0.15 0.00 0.47 0.00 0.00 55.06 56.27 2kdn s HIS 22 Cb 0.00 0.13 -0.04 0.00 -0.13 0.00 0.00 32.58 32.53 2kdn s HIS 22 CO 0.00 -0.19 0.36 -1.64 -2.47 0.00 0.00 174.74 170.80 2kdn s MET 23 N 0.37 4.22 -0.02 2.88 -1.94 -1.26 -4.95 119.30 118.60 2kdn s MET 23 Ca -0.02 0.17 -0.24 0.00 -1.71 0.00 0.00 55.69 53.90 2kdn s MET 23 Cb -0.03 -3.48 0.05 0.00 2.01 0.00 0.00 34.83 33.37 2kdn s MET 23 CO -0.01 0.10 0.53 0.00 -0.01 0.00 0.00 175.02 175.62 2kdn h ILE 25 N 3.26 0.79 0.21 0.00 6.09 -1.98 0.80 117.51 126.68 2kdn h ILE 25 Ca -0.28 -0.25 -0.01 0.00 -1.37 0.00 0.00 64.86 62.94 2kdn h ILE 25 Cb 1.16 -0.01 0.00 0.00 0.47 0.00 0.00 36.82 38.45 2kdn h ILE 25 CO 0.40 0.13 -0.10 -0.61 -3.07 0.00 0.00 178.15 174.90 2kdn h GLN 26 N 0.73 -0.27 -0.10 2.19 4.15 -1.97 -1.47 115.11 118.37 2kdn h GLN 26 Ca 0.50 0.02 -0.06 0.00 0.77 0.00 0.00 58.65 59.88 2kdn h GLN 26 Cb 0.79 0.06 -0.01 0.00 0.21 0.00 0.00 27.48 28.53 2kdn h GLN 26 CO -0.26 -0.10 -0.19 -0.22 -1.93 0.00 0.00 178.83 176.12 2kdn h LYS 27 N -0.38 0.17 -0.32 1.69 1.63 -1.63 -0.04 116.57 117.69 2kdn h LYS 27 Ca -0.03 -0.04 -0.01 0.00 -0.85 0.00 0.00 60.65 59.72 2kdn h LYS 27 Cb 0.29 -0.02 -0.01 0.00 -0.60 0.00 0.00 32.23 31.89 2kdn h LYS 27 CO 0.05 0.36 0.17 0.28 -3.45 0.00 0.00 179.45 176.86 2kdn h VAL 28 N 0.16 1.14 -0.56 2.00 2.07 -0.62 -0.50 116.25 119.93 2kdn h VAL 28 Ca 0.03 -0.37 -0.03 0.00 0.82 0.00 0.00 66.70 67.14 2kdn h VAL 28 Cb 0.44 0.81 -0.02 0.00 -1.52 0.00 0.00 31.29 30.99 2kdn h VAL 28 CO 0.03 0.14 0.23 0.40 0.02 0.00 0.00 177.57 178.39 2kdn h ILE 29 N 0.39 1.22 -0.15 4.57 1.08 -0.53 0.69 117.51 124.78 2kdn h ILE 29 Ca 0.11 -0.68 0.05 0.00 -0.39 0.00 0.00 64.86 63.95 2kdn h ILE 29 Cb 0.08 0.62 -0.05 0.00 -3.07 0.00 0.00 36.82 34.40 2kdn h ILE 29 CO -0.02 0.26 -0.16 -0.33 -0.69 0.00 0.00 178.15 177.22 2kdn h GLU 30 N 0.77 -0.18 -0.24 2.37 5.08 -0.74 -1.38 114.58 120.26 2kdn h GLU 30 Ca 0.19 0.01 -0.10 0.00 -1.00 0.00 0.00 59.36 58.46 2kdn h GLU 30 Cb 0.19 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.47 2kdn h GLU 30 CO -0.02 -0.12 -0.28 0.22 -1.00 0.00 0.00 179.01 177.81 2kdn h ASP 31 N -0.19 0.48 0.59 1.42 3.58 -0.92 -1.73 116.42 119.65 2kdn h ASP 31 Ca 0.10 -0.17 -0.03 0.00 0.42 0.00 0.00 57.03 57.35 2kdn h ASP 31 Cb 0.34 -0.13 0.01 0.00 1.72 0.00 0.00 39.33 41.26 2kdn h ASP 31 CO -0.26 0.74 -0.29 0.50 -2.88 0.00 0.00 179.24 177.06 2kdn h LYS 32 N 0.41 -0.77 0.00 0.28 1.63 -0.19 0.07 116.57 118.00 2kdn h LYS 32 Ca 0.06 0.05 -0.15 0.00 -0.85 0.00 0.00 60.65 59.76 2kdn h LYS 32 Cb 0.70 0.17 -0.02 0.00 -0.60 0.00 0.00 32.23 32.49 2kdn h LYS 32 CO 0.05 -0.51 -0.69 1.37 -3.45 0.00 0.00 179.45 176.22 2kdn h LEU 33 N -0.81 0.00 -0.61 5.20 8.10 -1.31 -3.22 115.31 122.67 2kdn h LEU 33 Ca -0.08 0.00 -0.15 0.00 0.11 0.00 0.00 57.88 57.76 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 0.13 0.69 -0.61 0.77 -4.11 0.00 0.00 178.44 175.31 2kdn h SER 34 N 0.00 0.33 0.37 0.17 4.64 -1.17 0.80 113.55 118.69 2kdn h SER 34 Ca -0.01 -0.19 -0.04 0.00 -0.47 0.00 0.00 61.79 61.08 2kdn h SER 34 Cb 1.24 -0.10 -0.01 0.00 -0.31 0.00 0.00 62.40 63.23 2kdn h SER 34 CO 0.09 0.86 -0.21 0.28 -0.87 0.00 0.00 176.83 176.98 2kdn h SER 35 N 0.22 0.00 0.01 4.97 0.02 -0.99 0.47 113.55 118.25 2kdn h SER 35 Ca -0.01 0.00 -0.23 0.00 -0.84 0.00 0.00 61.79 60.72 2kdn h SER 35 Cb 1.13 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.64 2kdn h SER 35 CO 0.10 0.21 -1.23 0.00 -1.14 0.00 0.00 176.83 174.77 2kdn h ALA 36 N 1.79 0.26 0.00 3.77 0.00 -1.49 -3.40 119.26 120.19 2kdn h ALA 36 Ca -0.00 -1.18 -0.24 0.00 0.00 0.00 0.00 54.91 53.49 2kdn h ALA 36 Cb 0.45 0.70 -0.04 0.00 0.00 0.00 0.00 17.79 18.91 2kdn h ALA 36 CO 0.03 0.70 -1.22 -0.07 0.00 0.00 0.00 179.25 178.68 2kdn h LEU 37 N -0.94 0.01 -2.53 0.00 3.38 -0.89 -3.50 115.31 110.84 2kdn h LEU 37 Ca -0.33 -0.01 -0.07 0.00 0.09 0.00 0.00 57.88 57.55 2kdn h LEU 37 Cb 1.33 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.08 2kdn h LEU 37 CO -0.18 1.01 -0.72 0.29 0.09 0.00 0.00 178.44 178.93 2kdn n LYS 38 N -3.26 -2.39 -3.45 1.13 4.76 0.17 -4.74 118.16 110.37 2kdn n LYS 38 Ca -0.05 2.05 -0.38 0.00 -2.87 0.00 0.00 58.31 57.05 2kdn n LYS 38 Cb 0.98 -4.81 -0.06 0.00 -1.84 0.00 0.00 35.03 29.29 2kdn n LYS 38 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 2kdn s PRO 39 N -2.38 3.99 0.30 1.97 0.04 -1.26 -4.51 135.00 133.16 2kdn s PRO 39 Ca 0.23 0.46 0.07 0.00 0.04 0.00 0.00 61.00 61.80 2kdn s PRO 39 Cb -0.05 -3.24 0.49 0.00 0.04 0.00 0.00 34.50 31.73 2kdn s PRO 39 CO 0.76 0.64 1.72 1.79 0.04 0.00 0.00 177.00 181.96 2kdn h THR 40 N 3.75 1.29 -3.40 1.26 1.35 -0.42 -3.43 112.91 113.32 2kdn h THR 40 Ca -0.51 -1.43 -0.26 0.00 -0.55 0.00 0.00 66.41 63.66 2kdn h THR 40 Cb 1.22 1.62 -0.32 0.00 -1.73 0.00 0.00 68.15 68.94 2kdn h THR 40 CO 0.63 0.43 -0.65 0.12 -0.25 0.00 0.00 175.52 175.80 2kdn s PHE 41 N -4.22 -0.08 -0.15 4.73 5.36 -0.52 -5.03 117.98 118.07 2kdn s PHE 41 Ca -0.05 0.30 -0.04 0.00 -0.96 0.00 0.00 56.93 56.19 2kdn s PHE 41 Cb 0.14 -0.12 0.06 0.00 -0.34 0.00 0.00 43.02 42.76 2kdn s PHE 41 CO 0.77 -0.12 0.13 -1.17 -1.46 0.00 0.00 175.22 173.37 2kdn s LEU 42 N 0.94 0.13 -0.02 6.12 2.96 -1.26 -0.56 118.68 126.99 2kdn s LEU 42 Ca -0.07 -0.27 0.05 0.00 -0.22 0.00 0.00 54.13 53.62 2kdn s LEU 42 Cb -0.10 0.02 -0.01 0.00 0.50 0.00 0.00 46.19 46.59 2kdn s LEU 42 CO -0.04 -0.31 -0.18 -0.70 -1.32 0.00 0.00 176.35 173.79 2kdn s GLU 43 N 2.22 1.56 -0.18 1.98 2.56 -1.01 -4.98 118.70 120.85 2kdn s GLU 43 Ca 0.04 -0.66 -0.00 0.00 0.00 0.00 0.00 54.97 54.35 2kdn s GLU 43 Cb -0.15 -1.48 0.01 0.00 2.00 0.00 0.00 34.13 34.51 2kdn s GLU 43 CO -0.09 0.37 -0.15 -0.51 -0.56 0.00 0.00 175.26 174.32 2kdn s LEU 44 N -0.35 2.40 0.12 2.70 1.02 -1.26 -0.38 118.68 122.92 2kdn s LEU 44 Ca 0.05 -0.53 0.07 0.00 0.02 0.00 0.00 54.13 53.74 2kdn s LEU 44 Cb -0.08 -1.56 -0.04 0.00 0.02 0.00 0.00 46.19 44.53 2kdn s LEU 44 CO -0.00 0.03 -0.09 0.68 0.02 0.00 0.00 176.35 176.99 2kdn s VAL 45 N 1.11 3.40 -0.22 -1.59 -7.23 0.44 -4.93 120.40 111.39 2kdn s VAL 45 Ca 0.00 -1.31 -0.29 0.00 -1.81 0.00 0.00 61.98 58.57 2kdn s VAL 45 Cb -0.14 -2.61 0.00 0.00 0.56 0.00 0.00 36.38 34.19 2kdn s VAL 45 CO -0.05 0.07 1.13 -0.62 -0.31 0.00 0.00 175.10 175.31 2kdn s ASP 46 N -2.34 7.02 -0.24 4.85 2.15 -1.26 -0.46 116.67 126.39 2kdn s ASP 46 Ca 0.22 1.45 -0.10 0.00 0.43 0.00 0.00 52.55 54.55 2kdn s ASP 46 Cb -0.11 -2.54 -0.05 0.00 -0.30 0.00 0.00 42.92 39.92 2kdn s ASP 46 CO 0.14 -0.73 0.16 -0.75 -0.17 0.00 0.00 175.17 173.82 2kdn s LYS 47 N 3.37 4.06 -0.57 4.34 2.20 0.11 -4.91 119.74 128.33 2kdn s LYS 47 Ca 0.48 -0.28 -0.28 0.00 -0.36 0.00 0.00 55.97 55.53 2kdn s LYS 47 Cb -0.17 -3.53 0.03 0.00 -1.51 0.00 0.00 37.83 32.64 2kdn s LYS 47 CO 0.10 0.06 1.22 -1.54 -0.36 0.00 0.00 175.35 174.83 2kdn s SER 48 N 1.07 6.42 -0.09 1.43 1.04 -1.26 -2.98 113.70 119.33 2kdn s SER 48 Ca 0.07 0.18 0.13 0.00 0.48 0.00 0.00 55.95 56.81 2kdn s SER 48 Cb -0.14 -2.55 0.34 0.00 0.10 0.00 0.00 66.02 63.77 2kdn s SER 48 CO 0.05 -1.49 1.26 0.00 0.98 0.00 0.00 173.24 174.04 2kdn n GLY 50 N -0.37 1.72 3.46 0.00 0.00 -1.26 -4.57 105.19 104.18 2kdn n GLY 50 Ca 0.14 -0.35 -0.43 0.00 0.00 0.00 0.00 46.02 45.38 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 5.28 2.37 3.55 0.00 0.00 -1.26 -5.06 105.19 110.07 2kdn n GLY 52 Ca -0.03 -0.47 -0.41 0.00 0.00 0.00 0.00 46.02 45.11 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 3.66 0.18 2.61 -4.23 -1.26 -4.00 115.64 112.60 2kdn s THR 53 Ca 0.00 0.37 -0.18 0.00 -1.18 0.00 0.00 61.69 60.70 2kdn s THR 53 Cb 0.00 -4.75 -0.08 0.00 1.34 0.00 0.00 72.50 69.02 2kdn s THR 53 CO 0.00 -1.69 0.64 -0.94 -0.54 0.00 0.00 174.62 172.09 2kdn s SER 54 N 4.53 6.97 -0.12 3.99 1.04 -1.16 -4.23 113.70 124.72 2kdn s SER 54 Ca 0.41 1.27 -0.01 0.00 0.48 0.00 0.00 55.95 58.10 2kdn s SER 54 Cb -0.09 -2.36 -0.02 0.00 0.10 0.00 0.00 66.02 63.65 2kdn s SER 54 CO 0.16 0.09 -0.09 -0.36 0.98 0.00 0.00 173.24 174.02 2kdn s PHE 55 N -1.46 2.90 -0.35 5.02 0.08 0.34 0.05 117.98 124.56 2kdn s PHE 55 Ca 0.40 -0.35 -0.08 0.00 0.12 0.00 0.00 56.93 57.01 2kdn s PHE 55 Cb -0.16 -1.84 0.03 0.00 -0.57 0.00 0.00 43.02 40.48 2kdn s PHE 55 CO 0.20 -0.01 0.14 0.34 -0.10 0.00 0.00 175.22 175.79 2kdn s ASP 56 N 0.04 5.45 -0.30 1.36 2.15 0.39 -0.42 116.67 125.34 2kdn s ASP 56 Ca -0.02 -1.06 -0.08 0.00 0.43 0.00 0.00 52.55 51.81 2kdn s ASP 56 Cb -0.14 -1.92 -0.00 0.00 -0.30 0.00 0.00 42.92 40.56 2kdn s ASP 56 CO 0.03 -0.34 0.11 0.00 -0.17 0.00 0.00 175.17 174.81 2kdn s ALA 57 N 1.46 3.18 -0.44 3.66 0.00 0.44 -0.42 121.76 129.64 2kdn s ALA 57 Ca -0.00 -1.38 -0.28 0.00 0.00 0.00 0.00 51.96 50.30 2kdn s ALA 57 Cb -0.19 -2.25 0.03 0.00 0.00 0.00 0.00 23.12 20.70 2kdn s ALA 57 CO 0.04 -0.86 1.04 0.08 0.00 0.00 0.00 175.76 176.06 2kdn s VAL 58 N 1.57 4.36 -0.39 0.00 1.01 0.49 -0.39 120.40 127.04 2kdn s VAL 58 Ca 0.04 1.13 -0.11 0.00 0.00 0.00 0.00 61.98 63.03 2kdn s VAL 58 Cb -0.17 -4.50 0.04 0.00 0.00 0.00 0.00 36.38 31.75 2kdn s VAL 58 CO 0.04 -0.85 0.23 -0.51 0.00 0.00 0.00 175.10 174.01 2kdn s ILE 59 N 4.06 4.58 -0.40 2.22 -1.16 0.36 -2.41 121.20 128.44 2kdn s ILE 59 Ca 0.43 -0.97 -0.09 0.00 -0.51 0.00 0.00 60.65 59.51 2kdn s ILE 59 Cb -0.09 -3.62 0.06 0.00 0.61 0.00 0.00 42.46 39.43 2kdn s ILE 59 CO 0.27 -0.32 0.23 -0.69 -2.81 0.00 0.00 174.94 171.62 2kdn s VAL 60 N 1.54 4.26 0.00 4.00 1.01 0.27 -0.63 120.40 130.84 2kdn s VAL 60 Ca 0.02 -1.24 -0.03 0.00 0.00 0.00 0.00 61.98 60.72 2kdn s VAL 60 Cb -0.20 -3.53 -0.01 0.00 0.00 0.00 0.00 36.38 32.64 2kdn s VAL 60 CO 0.06 -0.41 0.06 -0.55 0.00 0.00 0.00 175.10 174.26 2kdn s SER 61 N 1.90 0.09 0.57 3.32 0.15 -0.92 0.40 113.70 119.22 2kdn s SER 61 Ca 0.02 -0.25 0.36 0.00 0.70 0.00 0.00 55.95 56.78 2kdn s SER 61 Cb -0.22 0.15 1.63 0.00 -1.71 0.00 0.00 66.02 65.88 2kdn s SER 61 CO 0.03 -0.27 2.09 0.78 1.20 0.00 0.00 173.24 177.07 2kdn h ASN 62 N 4.78 0.00 0.12 5.45 4.21 -1.90 -3.00 115.58 125.24 2kdn h ASN 62 Ca -0.30 0.00 -0.01 0.00 1.21 0.00 0.00 56.30 57.20 2kdn h ASN 62 Cb 1.20 0.00 -0.00 0.00 -1.12 0.00 0.00 38.32 38.40 2kdn h ASN 62 CO 0.42 0.02 -0.03 -1.13 -1.29 0.00 0.00 177.43 175.42 2kdn h ASN 63 N 0.00 0.00 -0.01 5.81 -1.24 -1.85 -1.81 115.58 116.48 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 0.38 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.43 2kdn h ASN 63 CO 0.00 0.03 -0.51 0.33 -1.29 0.00 0.00 177.43 175.99 2kdn n PHE 64 N -3.62 0.00 1.57 0.67 7.35 -1.13 -4.33 117.46 117.96 2kdn n PHE 64 Ca -0.03 0.00 0.14 0.00 -0.76 0.00 0.00 57.45 56.80 2kdn n PHE 64 Cb 0.12 0.00 0.77 0.00 0.35 0.00 0.00 39.48 40.73 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 -0.17 0.69 -0.11 -4.13 0.28 -0.68 -1.70 120.64 114.82 2kdn n GLU 65 Ca 0.08 0.01 0.11 0.00 -0.16 0.00 0.00 57.16 57.21 2kdn n GLU 65 Cb 0.44 -1.50 0.32 0.00 1.43 0.00 0.00 31.44 32.13 2kdn n GLU 65 CO 0.00 0.00 0.00 -3.47 -0.16 0.00 0.00 177.13 173.50 2kdn n ASP 66 N -1.11 2.22 -0.34 -1.84 2.03 -1.26 -4.91 116.55 111.33 2kdn n ASP 66 Ca 0.18 -1.80 -0.04 0.00 0.52 0.00 0.00 54.79 53.64 2kdn n ASP 66 Cb 0.14 -0.14 -0.02 0.00 -0.72 0.00 0.00 41.12 40.38 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 0.69 -0.70 -2.38 -0.67 4.81 -0.69 -4.93 118.16 114.29 2kdn n LYS 67 Ca 0.17 0.52 -0.36 0.00 -0.87 0.00 0.00 58.31 57.77 2kdn n LYS 67 Cb 0.42 -4.26 -0.04 0.00 0.02 0.00 0.00 35.03 31.17 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 -1.81 3.23 -0.07 1.64 -0.14 -1.26 -4.77 119.74 116.56 2kdn s LYS 68 Ca 0.00 -0.85 -0.27 0.00 -1.36 0.00 0.00 55.97 53.48 2kdn s LYS 68 Cb 0.00 -5.26 -0.23 0.00 -1.68 0.00 0.00 37.83 30.66 2kdn s LYS 68 CO 0.00 -2.63 1.06 1.25 -0.76 0.00 0.00 175.35 174.28 2kdn h LEU 69 N 14.58 -0.00 -0.91 3.17 7.12 -1.92 -2.57 115.31 134.78 2kdn h LEU 69 Ca 0.17 -0.69 -0.10 0.00 0.13 0.00 0.00 57.88 57.39 2kdn h LEU 69 Cb 1.00 0.00 -0.01 0.00 -0.53 0.00 0.00 40.66 41.12 2kdn h LEU 69 CO 1.35 0.69 -0.28 0.17 -0.13 0.00 0.00 178.44 180.25 2kdn h LEU 70 N -0.70 0.48 -0.28 2.25 -0.00 -1.99 0.46 115.31 115.53 2kdn h LEU 70 Ca -0.00 -0.17 -0.21 0.00 -0.00 0.00 0.00 57.88 57.51 2kdn h LEU 70 Cb 0.70 -0.13 0.00 0.00 -0.00 0.00 0.00 40.66 41.23 2kdn h LEU 70 CO 0.00 0.74 -0.78 -0.78 -0.00 0.00 0.00 178.44 177.63 2kdn h ASP 71 N 0.41 0.67 -0.64 0.17 3.58 -1.96 -0.54 116.42 118.12 2kdn h ASP 71 Ca 0.06 -0.45 -0.04 0.00 0.42 0.00 0.00 57.03 57.02 2kdn h ASP 71 Cb 0.70 -0.20 -0.03 0.00 1.72 0.00 0.00 39.33 41.52 2kdn h ASP 71 CO 0.05 1.22 0.24 -0.09 -2.88 0.00 0.00 179.24 177.79 2kdn h ARG 72 N 0.37 0.97 -0.24 0.28 1.12 -1.19 -2.10 114.38 113.58 2kdn h ARG 72 Ca -0.05 -0.18 -0.01 0.00 -1.11 0.00 0.00 59.98 58.63 2kdn h ARG 72 Cb 1.38 -0.15 -0.01 0.00 -0.01 0.00 0.00 29.97 31.18 2kdn h ARG 72 CO 0.14 0.83 0.10 1.25 -3.11 0.00 0.00 179.97 179.18 2kdn h HIS 73 N 0.91 0.37 -0.35 2.20 2.76 -0.62 -0.69 115.15 119.73 2kdn h HIS 73 Ca 0.21 -0.03 -0.08 0.00 -2.20 0.00 0.00 60.37 58.27 2kdn h HIS 73 Cb 0.23 -0.11 -0.02 0.00 1.55 0.00 0.00 27.41 29.06 2kdn h HIS 73 CO 0.01 0.38 -0.13 0.07 -1.30 0.00 0.00 177.93 176.96 2kdn h ARG 74 N 0.25 0.62 -0.11 5.26 0.11 -1.06 0.27 114.38 119.72 2kdn h ARG 74 Ca 0.08 -0.20 -0.02 0.00 0.10 0.00 0.00 59.98 59.95 2kdn h ARG 74 Cb 0.16 -0.06 -0.00 0.00 1.11 0.00 0.00 29.97 31.18 2kdn h ARG 74 CO -0.01 0.73 0.01 -0.07 0.10 0.00 0.00 179.97 180.73 2kdn h LEU 75 N 0.56 0.18 -0.80 0.08 3.38 -1.20 -0.63 115.31 116.88 2kdn h LEU 75 Ca 0.10 -0.29 0.06 0.00 0.09 0.00 0.00 57.88 57.84 2kdn h LEU 75 Cb 0.56 -0.05 -0.06 0.00 0.09 0.00 0.00 40.66 41.20 2kdn h LEU 75 CO 0.04 0.43 0.48 0.58 0.09 0.00 0.00 178.44 180.05 2kdn h VAL 76 N -0.08 1.01 -0.49 1.22 2.07 -0.84 -0.66 116.25 118.48 2kdn h VAL 76 Ca 0.03 -0.30 -0.05 0.00 0.82 0.00 0.00 66.70 67.20 2kdn h VAL 76 Cb 0.33 0.06 -0.02 0.00 -1.52 0.00 0.00 31.29 30.15 2kdn h VAL 76 CO 0.00 0.16 0.10 0.78 0.02 0.00 0.00 177.57 178.63 2kdn h ASN 77 N 0.87 0.77 -0.06 0.57 -0.26 -0.80 0.14 115.58 116.81 2kdn h ASN 77 Ca 0.35 -0.25 -0.01 0.00 -0.56 0.00 0.00 56.30 55.84 2kdn h ASN 77 Cb 0.19 -0.20 -0.00 0.00 -1.06 0.00 0.00 38.32 37.24 2kdn h ASN 77 CO -0.18 0.82 0.00 0.74 -1.06 0.00 0.00 177.43 177.75 2kdn h THR 78 N 0.68 1.24 0.13 2.81 2.02 -0.53 -0.47 112.91 118.79 2kdn h THR 78 Ca 0.15 -0.73 -0.01 0.00 0.77 0.00 0.00 66.41 66.59 2kdn h THR 78 Cb 0.36 1.62 0.00 0.00 -1.74 0.00 0.00 68.15 68.40 2kdn h THR 78 CO 0.01 0.20 -0.06 0.40 0.37 0.00 0.00 175.52 176.43 2kdn h ILE 79 N -0.18 0.99 0.00 3.11 2.04 -1.16 -3.28 117.51 119.03 2kdn h ILE 79 Ca 0.02 -1.17 0.00 0.00 1.00 0.00 0.00 64.86 64.70 2kdn h ILE 79 Cb 0.32 1.65 0.00 0.00 -0.74 0.00 0.00 36.82 38.05 2kdn h ILE 79 CO 0.00 0.25 0.00 0.18 0.00 0.00 0.00 178.15 178.58 2kdn n LEU 80 N -4.90 0.00 0.15 1.44 4.32 0.47 -2.42 117.00 116.06 2kdn n LEU 80 Ca -0.08 0.02 -0.11 0.00 -0.02 0.00 0.00 56.01 55.82 2kdn n LEU 80 Cb 0.27 -0.02 -0.06 0.00 -1.62 0.00 0.00 43.42 42.00 2kdn n LEU 80 CO 0.28 -0.00 0.51 0.50 -1.22 0.00 0.00 177.39 177.46 2kdn h LYS 81 N 0.00 -0.55 -0.00 3.23 1.63 -1.14 0.12 116.57 119.86 2kdn h LYS 81 Ca 0.00 0.04 -0.20 0.00 -0.85 0.00 0.00 60.65 59.64 2kdn h LYS 81 Cb 0.02 0.13 -0.01 0.00 -0.60 0.00 0.00 32.23 31.76 2kdn h LYS 81 CO 0.00 -0.37 -0.86 1.49 -3.45 0.00 0.00 179.45 176.26 2kdn h GLU 82 N -0.57 0.22 -0.17 1.90 4.81 -1.79 -3.35 114.58 115.63 2kdn h GLU 82 Ca -0.03 -0.23 0.05 0.00 -0.13 0.00 0.00 59.36 59.02 2kdn h GLU 82 Cb 0.52 0.07 -0.06 0.00 0.63 0.00 0.00 28.75 29.90 2kdn h GLU 82 CO -0.08 0.95 -0.22 1.49 -0.73 0.00 0.00 179.01 180.43 2kdn h GLU 83 N 0.13 -0.24 -0.96 1.92 4.57 -1.34 -1.19 114.58 117.46 2kdn h GLU 83 Ca -0.04 0.02 0.27 0.00 -1.18 0.00 0.00 59.36 58.42 2kdn h GLU 83 Cb 1.48 0.06 -0.04 0.00 -0.16 0.00 0.00 28.75 30.08 2kdn h GLU 83 CO 0.13 -0.16 0.68 -0.07 -1.18 0.00 0.00 179.01 178.41 2kdn h LEU 84 N -0.25 0.06 -2.51 1.64 3.38 -0.88 -0.64 115.31 116.11 2kdn h LEU 84 Ca 0.11 0.01 0.02 0.00 0.09 0.00 0.00 57.88 58.11 2kdn h LEU 84 Cb 0.42 -0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.17 2kdn h LEU 84 CO -0.32 0.02 0.12 1.56 0.09 0.00 0.00 178.44 179.91 2kdn h GLN 85 N 0.06 0.00 -0.00 1.13 1.08 -1.37 0.19 115.11 116.19 2kdn h GLN 85 Ca 0.46 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.66 2kdn h GLN 85 Cb 1.75 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 29.18 2kdn h GLN 85 CO -0.04 0.00 -0.37 0.09 -0.95 0.00 0.00 178.83 177.56 2kdn n ASN 86 N -3.36 0.84 -4.19 1.46 3.02 -0.25 -4.87 115.26 107.91 2kdn n ASN 86 Ca -0.01 -0.66 -0.28 0.00 -0.03 0.00 0.00 54.58 53.60 2kdn n ASN 86 Cb 0.20 0.20 -0.16 0.00 -0.61 0.00 0.00 39.78 39.41 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 -2.70 1.67 0.04 2.41 1.01 0.67 -5.03 121.20 119.26 2kdn s ILE 87 Ca 0.19 -0.85 -0.21 0.00 0.00 0.00 0.00 60.65 59.78 2kdn s ILE 87 Cb 0.18 -1.42 -0.15 0.00 0.01 0.00 0.00 42.46 41.09 2kdn s ILE 87 CO 0.60 0.47 1.36 -0.74 0.00 0.00 0.00 174.94 176.62 2kdn h HIS 88 N 6.16 0.37 -1.74 3.97 -0.00 -1.84 -3.43 115.15 118.65 2kdn h HIS 88 Ca -0.32 -0.11 -0.19 0.00 -0.00 0.00 0.00 60.37 59.75 2kdn h HIS 88 Cb 1.17 -0.08 -0.29 0.00 -0.00 0.00 0.00 27.41 28.22 2kdn h HIS 88 CO 0.43 0.69 -0.53 0.00 -0.00 0.00 0.00 177.93 178.52 2kdn s ALA 89 N -4.38 -1.18 -0.11 5.26 0.00 -1.26 -5.04 121.76 115.05 2kdn s ALA 89 Ca -0.14 0.30 -0.05 0.00 0.00 0.00 0.00 51.96 52.07 2kdn s ALA 89 Cb 0.05 -2.03 -0.04 0.00 0.00 0.00 0.00 23.12 21.11 2kdn s ALA 89 CO 0.74 -1.69 0.08 0.12 0.00 0.00 0.00 175.76 175.01 2kdn s PHE 90 N 2.54 3.40 0.04 0.00 5.36 -1.26 -0.51 117.98 127.56 2kdn s PHE 90 Ca 0.10 0.37 0.03 0.00 -0.96 0.00 0.00 56.93 56.46 2kdn s PHE 90 Cb -0.13 -1.89 -0.02 0.00 -0.34 0.00 0.00 43.02 40.64 2kdn s PHE 90 CO -0.28 0.59 -0.09 -1.12 -1.46 0.00 0.00 175.22 172.86 2kdn s SER 91 N -0.87 0.97 -0.03 6.13 0.01 0.44 -4.93 113.70 115.43 2kdn s SER 91 Ca 0.14 -0.54 0.02 0.00 1.31 0.00 0.00 55.95 56.87 2kdn s SER 91 Cb -0.12 0.02 0.01 0.00 0.21 0.00 0.00 66.02 66.14 2kdn s SER 91 CO 0.03 -0.17 -0.06 0.00 0.41 0.00 0.00 173.24 173.45 2kdn s MET 92 N -1.53 0.72 -0.28 12.44 0.23 -1.26 -0.42 119.30 129.20 2kdn s MET 92 Ca -0.08 -0.17 -0.08 0.00 -1.03 0.00 0.00 55.69 54.33 2kdn s MET 92 Cb -0.10 -0.72 -0.01 0.00 -1.53 0.00 0.00 34.83 32.48 2kdn s MET 92 CO 0.01 0.02 0.10 0.15 -2.03 0.00 0.00 175.02 173.27 2kdn s LYS 93 N 0.43 3.34 -0.05 3.16 -0.14 0.48 -4.93 119.74 122.03 2kdn s LYS 93 Ca -0.06 -0.69 -0.26 0.00 -1.36 0.00 0.00 55.97 53.60 2kdn s LYS 93 Cb -0.09 -3.41 -0.03 0.00 -1.68 0.00 0.00 37.83 32.61 2kdn s LYS 93 CO 0.00 -0.35 0.83 0.00 -0.76 0.00 0.00 175.35 175.07 2kdn s HIS 95 N 1.02 0.21 0.17 0.00 2.46 0.19 -4.95 115.29 114.39 2kdn s HIS 95 Ca 0.44 -0.61 0.08 0.00 0.47 0.00 0.00 55.06 55.44 2kdn s HIS 95 Cb -0.19 -0.13 -0.04 0.00 -0.13 0.00 0.00 32.58 32.09 2kdn s HIS 95 CO 0.22 -0.46 -0.04 0.95 -2.47 0.00 0.00 174.74 172.93 2kdn s THR 96 N -3.44 3.54 0.51 0.89 -4.23 -1.26 -2.15 115.64 109.50 2kdn s THR 96 Ca 0.02 -1.47 0.24 0.00 -1.18 0.00 0.00 61.69 59.30 2kdn s THR 96 Cb 0.03 -2.76 0.29 0.00 1.34 0.00 0.00 72.50 71.41 2kdn s THR 96 CO -0.09 -0.08 2.14 -0.65 -0.54 0.00 0.00 174.62 175.40 2kdn h PRO 97 N 2.87 0.00 0.13 3.99 0.11 -1.87 -2.09 132.00 135.13 2kdn h PRO 97 Ca -0.47 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.63 2kdn h PRO 97 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 2kdn h PRO 97 CO 0.56 0.06 -0.06 1.25 -0.21 0.00 0.00 178.00 179.61 2kdn h LEU 98 N 0.00 -0.14 -0.67 2.35 7.12 -1.96 0.56 115.31 122.57 2kdn h LEU 98 Ca -0.00 -0.10 -0.10 0.00 0.13 0.00 0.00 57.88 57.80 2kdn h LEU 98 Cb 0.14 0.04 -0.02 0.00 -0.53 0.00 0.00 40.66 40.29 2kdn h LEU 98 CO 0.01 0.01 -0.10 -0.33 -0.13 0.00 0.00 178.44 177.90 2kdn h GLU 99 N -0.29 0.94 -0.98 1.25 3.07 -1.92 -2.97 114.58 113.66 2kdn h GLU 99 Ca -0.02 -0.33 0.02 0.00 -0.50 0.00 0.00 59.36 58.54 2kdn h GLU 99 Cb 0.23 -0.07 -0.05 0.00 -0.84 0.00 0.00 28.75 28.02 2kdn h GLU 99 CO 0.03 0.99 0.65 -0.92 -1.40 0.00 0.00 179.01 178.35 2kdn h TYR 100 N 0.84 1.22 -0.53 4.33 3.20 -1.11 -0.83 116.97 124.09 2kdn h TYR 100 Ca 0.14 0.03 0.04 0.00 3.14 0.00 0.00 58.73 62.08 2kdn h TYR 100 Cb 0.63 -0.41 -0.03 0.00 1.54 0.00 0.00 36.73 38.46 2kdn h TYR 100 CO 0.04 0.74 0.35 0.22 -1.64 0.00 0.00 178.16 177.87 2kdn h ASP 101 N 1.29 0.48 0.39 -2.11 3.58 -0.73 -0.29 116.42 119.04 2kdn h ASP 101 Ca 0.37 -0.00 -0.23 0.00 0.42 0.00 0.00 57.03 57.59 2kdn h ASP 101 Cb -0.08 -0.11 0.00 0.00 1.72 0.00 0.00 39.33 40.86 2kdn h ASP 101 CO -0.10 0.33 -0.98 0.11 -2.88 0.00 0.00 179.24 175.72 2kdn h LYS 102 N 0.56 0.38 -0.22 0.28 6.56 -1.20 -2.87 116.57 120.06 2kdn h LYS 102 Ca 0.22 -0.43 -0.03 0.00 -1.06 0.00 0.00 60.65 59.35 2kdn h LYS 102 Cb 0.18 0.13 -0.01 0.00 -0.57 0.00 0.00 32.23 31.96 2kdn h LYS 102 CO -0.06 1.11 0.02 -0.07 -2.06 0.00 0.00 179.45 178.39 2kdn h LEU 103 N 0.20 0.36 -0.31 2.94 3.38 0.11 -0.84 115.31 121.14 2kdn h LEU 103 Ca -0.08 -0.28 -0.04 0.00 0.09 0.00 0.00 57.88 57.57 2kdn h LEU 103 Cb 1.62 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 42.27 2kdn h LEU 103 CO 0.17 0.55 -0.17 0.07 0.09 0.00 0.00 178.44 179.15 2kdn h LYS 104 N 0.15 0.00 0.00 1.13 5.09 -1.21 -3.10 116.57 118.63 2kdn h LYS 104 Ca 0.06 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.80 2kdn h LYS 104 Cb 0.36 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.69 2kdn h LYS 104 CO 0.01 0.17 -0.13 0.77 -2.09 0.00 0.00 179.45 178.18 2kdn h SER 105 N 0.00 0.00 0.00 7.07 0.02 -1.43 0.46 113.55 119.67 2kdn h SER 105 Ca -0.00 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 60.90 2kdn h SER 105 Cb 1.02 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.55 2kdn h SER 105 CO 0.02 0.53 -0.67 2.29 -1.14 0.00 0.00 176.83 177.87 2kdn n LYS 106 N -4.56 0.16 0.00 3.45 2.85 -0.65 -4.75 118.16 114.66 2kdn n LYS 106 Ca -0.02 0.07 0.00 0.00 -1.05 0.00 0.00 58.31 57.31 2kdn n LYS 106 Cb 0.07 -0.78 0.00 0.00 -0.65 0.00 0.00 35.03 33.67 2kdn n LYS 106 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2kdn n GLY 107 N 2.77 0.87 0.00 2.58 0.00 -0.42 -4.93 105.19 106.07 2kdn n GLY 107 Ca -0.08 -0.10 0.12 0.00 0.00 0.00 0.00 46.02 45.96 2kdn n GLY 107 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18