#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kfd n LEU 2 N 0.00 -3.18 -5.00 0.00 4.77 -1.26 -4.63 117.00 107.70 3kfd n LEU 2 Ca 0.00 -0.44 -0.22 0.00 -0.03 0.00 0.00 56.01 55.32 3kfd n LEU 2 Cb 0.00 -2.57 0.05 0.00 -2.33 0.00 0.00 43.42 38.56 3kfd n LEU 2 CO 0.00 0.52 0.28 1.51 -1.33 0.00 0.00 177.39 178.38 3kfd s ASP 3 N -3.31 4.89 0.43 -1.43 1.47 -1.26 -1.28 116.67 116.18 3kfd s ASP 3 Ca 0.45 -1.03 0.09 0.00 1.18 0.00 0.00 52.55 53.24 3kfd s ASP 3 Cb -0.20 0.48 0.93 0.00 -0.34 0.00 0.00 42.92 43.79 3kfd s ASP 3 CO 0.59 -1.36 2.05 0.71 0.68 0.00 0.00 175.17 177.85 3kfd h THR 4 N 0.28 1.10 -0.95 2.11 1.35 -1.35 -0.67 112.91 114.77 3kfd h THR 4 Ca -0.30 -0.26 0.13 0.00 -0.55 0.00 0.00 66.41 65.43 3kfd h THR 4 Cb 1.30 0.73 -0.08 0.00 -1.73 0.00 0.00 68.15 68.37 3kfd h THR 4 CO 0.45 0.11 0.60 0.78 -0.25 0.00 0.00 175.52 177.21 3kfd h ASN 5 N 0.38 0.80 0.00 5.36 2.35 -1.95 -2.10 115.58 120.42 3kfd h ASN 5 Ca 0.10 0.05 -0.10 0.00 -0.55 0.00 0.00 56.30 55.80 3kfd h ASN 5 Cb 0.03 -0.11 -0.01 0.00 0.05 0.00 0.00 38.32 38.27 3kfd h ASN 5 CO -0.02 0.42 -0.89 0.00 -1.65 0.00 0.00 177.43 175.29 3kfd n TYR 6 N -4.60 0.83 -0.33 1.19 9.36 -0.77 -3.88 117.16 118.97 3kfd n TYR 6 Ca 0.18 0.36 0.04 0.00 3.32 0.00 0.00 57.90 61.80 3kfd n TYR 6 Cb 0.41 -0.86 0.22 0.00 -0.63 0.00 0.00 39.34 38.48 3kfd n TYR 6 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 3kfd h PHE 8 N 1.07 0.00 0.00 0.00 -1.00 -1.59 -3.30 116.94 112.12 3kfd h PHE 8 Ca 0.41 0.00 -0.20 0.00 2.81 0.00 0.00 57.97 60.98 3kfd h PHE 8 Cb 0.20 0.00 -0.03 0.00 3.61 0.00 0.00 35.95 39.73 3kfd h PHE 8 CO -0.00 0.50 -1.41 0.66 -1.61 0.00 0.00 178.31 176.45 3kfd h SER 9 N 0.00 0.00 -3.26 2.17 4.64 -1.30 -3.48 113.55 112.32 3kfd h SER 9 Ca -0.00 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.31 3kfd h SER 9 Cb 1.20 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.29 3kfd h SER 9 CO 0.06 0.73 -0.00 -1.54 -0.87 0.00 0.00 176.83 175.22 3kfd n SER 10 N -2.99 1.47 -3.66 4.97 3.41 0.30 -5.08 113.62 112.03 3kfd n SER 10 Ca -0.10 -1.00 -0.12 0.00 -0.26 0.00 0.00 58.87 57.39 3kfd n SER 10 Cb 0.90 0.00 -0.12 0.00 -0.26 0.00 0.00 64.21 64.73 3kfd n SER 10 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 3kfd s THR 11 N -0.47 -0.46 0.13 6.66 -1.32 -1.26 -4.83 115.64 114.09 3kfd s THR 11 Ca 0.00 0.24 -0.24 0.00 -1.21 0.00 0.00 61.69 60.48 3kfd s THR 11 Cb -0.00 -0.50 0.07 0.00 -1.51 0.00 0.00 72.50 70.56 3kfd s THR 11 CO 0.00 0.10 0.64 -1.83 -2.21 0.00 0.00 174.62 171.32 3kfd s GLU 12 N 2.42 1.21 0.27 7.08 -1.05 -1.26 -5.06 118.70 122.30 3kfd s GLU 12 Ca -0.00 -0.43 0.19 0.00 -0.15 0.00 0.00 54.97 54.58 3kfd s GLU 12 Cb -0.12 0.56 0.09 0.00 -0.44 0.00 0.00 34.13 34.22 3kfd s GLU 12 CO -0.10 -0.53 1.28 0.87 0.95 0.00 0.00 175.26 177.74 3kfd h LYS 13 N 2.02 0.00 -7.32 -4.83 1.57 -1.99 -3.47 116.57 102.54 3kfd h LYS 13 Ca -0.32 0.00 -0.49 0.00 -1.87 0.00 0.00 60.65 57.97 3kfd h LYS 13 Cb 1.30 0.00 0.15 0.00 0.08 0.00 0.00 32.23 33.76 3kfd h LYS 13 CO 0.37 0.21 0.25 -0.80 -0.57 0.00 0.00 179.45 178.91 3kfd s ASN 14 N -6.02 3.51 -0.33 0.86 0.01 -1.26 -3.96 114.94 107.74 3kfd s ASN 14 Ca 0.03 1.59 -0.44 0.00 -0.71 0.00 0.00 52.86 53.32 3kfd s ASN 14 Cb 0.07 -2.26 -0.20 0.00 0.41 0.00 0.00 41.25 39.28 3kfd s ASN 14 CO 0.75 -2.63 1.46 0.00 -1.51 0.00 0.00 177.10 175.17 3kfd s VAL 17 N -2.78 4.28 0.52 0.00 0.11 -1.26 -2.28 120.40 118.99 3kfd s VAL 17 Ca 0.01 1.52 0.08 0.00 -2.93 0.00 0.00 61.98 60.66 3kfd s VAL 17 Cb -0.01 -4.07 0.05 0.00 -1.53 0.00 0.00 36.38 30.83 3kfd s VAL 17 CO -0.06 -0.23 0.71 -0.13 -3.33 0.00 0.00 175.10 172.06 3kfd s ARG 18 N 3.65 2.50 0.17 1.54 1.81 0.19 -4.65 118.95 124.16 3kfd s ARG 18 Ca 0.54 -1.37 -0.25 0.00 -1.72 0.00 0.00 55.73 52.93 3kfd s ARG 18 Cb -0.20 -2.66 -0.08 0.00 -0.45 0.00 0.00 34.95 31.56 3kfd s ARG 18 CO 0.16 -0.64 0.77 -1.14 -0.68 0.00 0.00 175.30 173.77 3kfd s GLN 19 N -4.57 4.55 -0.29 3.54 2.00 -1.26 -2.23 119.66 121.39 3kfd s GLN 19 Ca 0.59 1.14 0.02 0.00 -2.00 0.00 0.00 55.36 55.11 3kfd s GLN 19 Cb -0.08 -3.23 0.19 0.00 0.80 0.00 0.00 33.01 30.69 3kfd s GLN 19 CO 0.37 0.56 0.58 -1.17 -0.50 0.00 0.00 175.29 175.13 3kfd s LEU 20 N -1.21 -1.46 0.42 3.68 2.96 -1.26 -4.74 118.68 117.08 3kfd s LEU 20 Ca 0.36 0.53 -0.18 0.00 -0.22 0.00 0.00 54.13 54.62 3kfd s LEU 20 Cb -0.23 2.05 -0.10 0.00 0.50 0.00 0.00 46.19 48.42 3kfd s LEU 20 CO 0.26 -0.28 0.90 -0.47 -1.32 0.00 0.00 176.35 175.44 3kfd s TYR 21 N 2.83 3.36 -0.04 5.38 5.04 -1.26 -0.74 117.35 131.92 3kfd s TYR 21 Ca 0.16 1.46 0.00 0.00 -2.44 0.00 0.00 57.07 56.25 3kfd s TYR 21 Cb -0.13 -2.74 0.03 0.00 0.35 0.00 0.00 41.96 39.46 3kfd s TYR 21 CO -0.23 -0.11 0.00 0.42 -1.34 0.00 0.00 175.55 174.28 3kfd s ILE 22 N -2.23 0.21 -0.28 3.14 1.01 -0.11 -4.88 121.20 118.06 3kfd s ILE 22 Ca 0.59 0.10 -0.12 0.00 0.00 0.00 0.00 60.65 61.21 3kfd s ILE 22 Cb -0.10 -0.32 -0.04 0.00 0.01 0.00 0.00 42.46 42.01 3kfd s ILE 22 CO 0.19 0.17 0.26 -0.62 0.00 0.00 0.00 174.94 174.93 3kfd s ASP 23 N 1.20 6.10 0.15 3.58 -1.08 -1.26 -1.10 116.67 124.27 3kfd s ASP 23 Ca -0.07 0.07 -0.21 0.00 -0.52 0.00 0.00 52.55 51.82 3kfd s ASP 23 Cb -0.13 -2.15 0.03 0.00 -1.46 0.00 0.00 42.92 39.21 3kfd s ASP 23 CO -0.02 -0.11 1.64 -0.26 0.52 0.00 0.00 175.17 176.95 3kfd h PHE 24 N 8.31 -0.51 -0.58 -5.34 0.04 -1.88 0.19 116.94 117.17 3kfd h PHE 24 Ca -0.34 0.03 -0.11 0.00 2.80 0.00 0.00 57.97 60.36 3kfd h PHE 24 Cb 1.18 0.26 -0.02 0.00 2.20 0.00 0.00 35.95 39.57 3kfd h PHE 24 CO 0.76 -0.27 -0.05 -0.09 -0.60 0.00 0.00 178.31 178.05 3kfd h ARG 25 N -0.19 1.05 0.11 1.51 2.43 -1.79 0.11 114.38 117.61 3kfd h ARG 25 Ca 0.14 -0.36 -0.28 0.00 -0.81 0.00 0.00 59.98 58.67 3kfd h ARG 25 Cb 0.40 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.87 3kfd h ARG 25 CO -0.36 1.06 -1.45 -0.22 -1.51 0.00 0.00 179.97 177.48 3kfd h LYS 26 N 0.94 0.24 0.00 0.20 3.64 -1.80 -3.17 116.57 116.62 3kfd h LYS 26 Ca 0.16 -0.41 -0.36 0.00 -1.27 0.00 0.00 60.65 58.77 3kfd h LYS 26 Cb 0.62 0.15 -0.06 0.00 -0.41 0.00 0.00 32.23 32.53 3kfd h LYS 26 CO 0.04 1.20 -2.24 -0.25 -2.27 0.00 0.00 179.45 175.92 3kfd n ASP 27 N -3.90 0.48 -0.06 4.20 8.00 0.64 -4.47 116.55 121.44 3kfd n ASP 27 Ca -0.26 0.08 -0.02 0.00 0.71 0.00 0.00 54.79 55.31 3kfd n ASP 27 Cb 0.91 0.55 -0.14 0.00 -0.02 0.00 0.00 41.12 42.42 3kfd n ASP 27 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 3kfd n LEU 28 N -2.89 0.00 0.00 0.64 4.77 -0.90 -5.00 117.00 113.62 3kfd n LEU 28 Ca -0.31 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.67 3kfd n LEU 28 Cb 1.11 0.27 0.00 0.00 -2.33 0.00 0.00 43.42 42.47 3kfd n LEU 28 CO 0.42 0.27 0.00 0.61 -1.33 0.00 0.00 177.39 177.35 3kfd n GLY 29 N 1.71 0.84 3.76 -0.72 0.00 0.32 -5.01 105.19 106.09 3kfd n GLY 29 Ca -0.19 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.42 3kfd n GLY 29 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3kfd s TRP 30 N -2.78 3.38 0.00 1.61 0.51 -0.79 -4.87 118.94 116.00 3kfd s TRP 30 Ca 0.00 1.54 0.00 0.00 -2.12 0.00 0.00 56.10 55.52 3kfd s TRP 30 Cb 0.00 -3.44 0.00 0.00 -0.81 0.00 0.00 33.47 29.22 3kfd s TRP 30 CO 0.00 -1.11 0.82 1.63 -0.51 0.00 0.00 176.95 177.77 3kfd n LYS 31 N 1.40 1.66 0.00 4.98 5.02 -1.26 -2.99 118.16 126.97 3kfd n LYS 31 Ca 0.01 -1.14 0.07 0.00 -2.02 0.00 0.00 58.31 55.22 3kfd n LYS 31 Cb 0.44 -0.97 -0.13 0.00 -0.02 0.00 0.00 35.03 34.35 3kfd n LYS 31 CO 0.00 0.00 0.00 -2.67 -0.52 0.00 0.00 177.40 174.21 3kfd n TRP 32 N -0.32 0.30 -2.60 2.13 4.27 -1.26 -4.89 117.44 115.07 3kfd n TRP 32 Ca 0.00 0.09 -0.43 0.00 -3.89 0.00 0.00 57.50 53.27 3kfd n TRP 32 Cb 0.19 -0.73 -0.02 0.00 -1.36 0.00 0.00 31.31 29.39 3kfd n TRP 32 CO 0.00 0.00 0.00 0.42 -2.29 0.00 0.00 177.69 175.82 3kfd s ILE 33 N -3.27 4.58 0.01 -1.67 1.01 -1.26 -4.32 121.20 116.27 3kfd s ILE 33 Ca -0.06 1.88 0.08 0.00 0.00 0.00 0.00 60.65 62.55 3kfd s ILE 33 Cb 0.11 -4.21 -0.23 0.00 0.01 0.00 0.00 42.46 38.14 3kfd s ILE 33 CO 0.86 -0.09 0.87 -0.74 0.00 0.00 0.00 174.94 175.84 3kfd h HIS 34 N 7.47 0.08 -2.79 3.97 -0.00 -1.07 -3.46 115.15 119.35 3kfd h HIS 34 Ca -0.26 -0.06 -0.13 0.00 -0.00 0.00 0.00 60.37 59.91 3kfd h HIS 34 Cb 1.11 -0.00 -0.26 0.00 -0.00 0.00 0.00 27.41 28.26 3kfd h HIS 34 CO 0.74 1.09 -0.32 -1.21 -0.00 0.00 0.00 177.93 178.23 3kfd s GLU 35 N -2.63 0.38 0.81 5.26 2.02 -0.34 -4.57 118.70 119.63 3kfd s GLU 35 Ca -0.04 0.63 -0.07 0.00 0.02 0.00 0.00 54.97 55.51 3kfd s GLU 35 Cb 0.08 0.07 0.15 0.00 0.10 0.00 0.00 34.13 34.53 3kfd s GLU 35 CO 0.83 -0.11 1.11 -2.14 0.02 0.00 0.00 175.26 174.97 3kfd s PRO 36 N 0.84 1.34 0.00 0.39 0.02 -1.26 -0.70 135.00 135.63 3kfd s PRO 36 Ca -0.05 -0.81 0.19 0.00 0.02 0.00 0.00 61.00 60.34 3kfd s PRO 36 Cb -0.06 -2.15 1.13 0.00 0.02 0.00 0.00 34.50 33.44 3kfd s PRO 36 CO -0.06 -1.78 1.68 0.36 -0.33 0.00 0.00 177.00 176.87 3kfd n LYS 37 N -3.17 0.94 0.00 5.54 0.00 -1.26 -4.90 118.16 115.30 3kfd n LYS 37 Ca 0.15 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.46 3kfd n LYS 37 Cb 0.60 -1.31 0.00 0.00 -0.00 0.00 0.00 35.03 34.32 3kfd n LYS 37 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3kfd n GLY 38 N 0.72 -0.03 3.47 2.58 0.00 -1.26 -3.32 105.19 107.34 3kfd n GLY 38 Ca 0.14 -1.06 -0.10 0.00 0.00 0.00 0.00 46.02 45.00 3kfd n GLY 38 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3kfd s TYR 39 N -2.00 -0.45 -0.39 1.61 1.13 -0.25 -4.99 117.35 112.01 3kfd s TYR 39 Ca 0.00 0.26 -0.23 0.00 -1.41 0.00 0.00 57.07 55.70 3kfd s TYR 39 Cb 0.00 0.56 0.01 0.00 -1.10 0.00 0.00 41.96 41.43 3kfd s TYR 39 CO 0.00 -0.74 0.75 -1.01 -2.51 0.00 0.00 175.55 172.04 3kfd s HIS 40 N -3.50 3.08 -0.13 -3.49 3.76 -1.26 -0.93 115.29 112.82 3kfd s HIS 40 Ca 0.03 0.36 0.17 0.00 -0.15 0.00 0.00 55.06 55.47 3kfd s HIS 40 Cb -0.01 -3.44 -0.24 0.00 1.11 0.00 0.00 32.58 29.99 3kfd s HIS 40 CO -0.11 -0.80 0.18 0.00 -0.85 0.00 0.00 174.74 173.15 3kfd n ALA 41 N 6.45 1.93 -1.08 -1.40 0.00 0.08 -4.87 120.51 121.61 3kfd n ALA 41 Ca 0.02 -0.95 0.15 0.00 0.00 0.00 0.00 53.44 52.66 3kfd n ALA 41 Cb 0.48 -0.30 -0.04 0.00 0.00 0.00 0.00 19.45 19.60 3kfd n ALA 41 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3kfd n ASN 42 N -2.50 -6.45 -3.58 0.00 3.02 -0.92 -2.25 115.26 102.57 3kfd n ASN 42 Ca -0.21 0.52 -0.06 0.00 -0.03 0.00 0.00 54.58 54.80 3kfd n ASN 42 Cb 0.90 -3.33 -0.03 0.00 -0.61 0.00 0.00 39.78 36.71 3kfd n ASN 42 CO 0.00 0.00 0.00 0.72 -2.62 0.00 0.00 177.26 175.36 3kfd s PHE 43 N -2.18 -0.19 -0.18 3.10 -0.71 -0.94 -4.65 117.98 112.22 3kfd s PHE 43 Ca 0.00 0.18 -0.16 0.00 -1.04 0.00 0.00 56.93 55.91 3kfd s PHE 43 Cb 0.00 0.51 -0.04 0.00 -1.21 0.00 0.00 43.02 42.28 3kfd s PHE 43 CO 0.00 -0.27 0.39 0.00 -1.34 0.00 0.00 175.22 174.00 3kfd s LEU 45 N 1.06 0.76 0.00 0.00 2.96 -0.97 -4.79 118.68 117.71 3kfd s LEU 45 Ca 0.20 0.38 0.00 0.00 -0.22 0.00 0.00 54.13 54.49 3kfd s LEU 45 Cb -0.14 1.23 0.00 0.00 0.50 0.00 0.00 46.19 47.78 3kfd s LEU 45 CO 0.08 -0.29 0.00 0.61 -1.32 0.00 0.00 176.35 175.43 3kfd n GLY 46 N 2.06 4.24 3.71 7.98 0.00 -1.26 -1.60 105.19 120.32 3kfd n GLY 46 Ca -0.17 -1.35 -0.34 0.00 0.00 0.00 0.00 46.02 44.16 3kfd n GLY 46 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3kfd s PRO 47 N -4.35 1.89 -0.78 1.61 0.04 -1.25 -3.59 135.00 128.57 3kfd s PRO 47 Ca 0.00 1.76 0.03 0.00 0.04 0.00 0.00 61.00 62.83 3kfd s PRO 47 Cb 0.00 -1.80 0.21 0.00 0.04 0.00 0.00 34.50 32.95 3kfd s PRO 47 CO 0.00 -2.02 0.70 0.00 0.04 0.00 0.00 177.00 175.72 3kfd s PRO 49 N -1.75 -0.25 0.30 0.00 0.04 -1.26 -4.73 135.00 127.34 3kfd s PRO 49 Ca 0.29 1.15 -0.30 0.00 0.04 0.00 0.00 61.00 62.18 3kfd s PRO 49 Cb -0.00 -1.61 -0.12 0.00 0.04 0.00 0.00 34.50 32.81 3kfd s PRO 49 CO -0.11 -3.37 1.51 0.98 0.04 0.00 0.00 177.00 176.06 3kfd n TYR 50 N -4.70 2.69 -2.18 0.56 9.36 -1.26 -2.48 117.16 119.14 3kfd n TYR 50 Ca 0.06 0.35 -0.19 0.00 3.32 0.00 0.00 57.90 61.44 3kfd n TYR 50 Cb 0.53 -2.54 -0.03 0.00 -0.63 0.00 0.00 39.34 36.67 3kfd n TYR 50 CO 0.00 0.00 0.00 1.51 0.22 0.00 0.00 176.86 178.59 3kfd n ILE 51 N 1.63 -0.71 -3.55 2.97 0.13 -1.26 -4.96 119.36 113.61 3kfd n ILE 51 Ca 0.07 0.00 -0.41 0.00 -1.10 0.00 0.00 62.75 61.32 3kfd n ILE 51 Cb 0.36 -2.58 -0.06 0.00 -0.84 0.00 0.00 39.64 36.52 3kfd n ILE 51 CO 0.00 0.00 0.00 0.86 2.80 0.00 0.00 176.55 180.21 3kfd s TRP 52 N -2.90 3.60 -1.12 9.51 -0.11 -1.04 -4.77 118.94 122.11 3kfd s TRP 52 Ca 0.00 -2.47 -0.22 0.00 1.22 0.00 0.00 56.10 54.62 3kfd s TRP 52 Cb 0.00 -3.46 0.00 0.00 -1.50 0.00 0.00 33.47 28.52 3kfd s TRP 52 CO 0.00 -0.89 0.76 0.43 -4.62 0.00 0.00 176.95 172.63 3kfd n SER 53 N 3.54 -5.14 -4.57 5.86 7.64 -1.26 -4.65 113.62 115.04 3kfd n SER 53 Ca 0.12 -1.05 -0.41 0.00 1.01 0.00 0.00 58.87 58.54 3kfd n SER 53 Cb 0.41 -2.97 -0.07 0.00 -1.01 0.00 0.00 64.21 60.57 3kfd n SER 53 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3kfd s LEU 54 N -6.53 4.29 0.00 -3.43 1.43 -1.26 -1.65 118.68 111.52 3kfd s LEU 54 Ca 0.44 0.09 0.00 0.00 -1.03 0.00 0.00 54.13 53.63 3kfd s LEU 54 Cb -0.18 -2.69 0.00 0.00 0.03 0.00 0.00 46.19 43.35 3kfd s LEU 54 CO 0.88 -0.53 0.81 -0.67 0.23 0.00 0.00 176.35 177.08 3kfd n ASP 55 N 5.89 0.00 -3.12 2.29 4.64 0.11 -4.84 116.55 121.51 3kfd n ASP 55 Ca -0.03 0.81 -0.12 0.00 -1.38 0.00 0.00 54.79 54.07 3kfd n ASP 55 Cb 0.49 -0.31 -0.02 0.00 -1.04 0.00 0.00 41.12 40.24 3kfd n ASP 55 CO 0.00 0.00 0.00 0.35 -0.82 0.00 0.00 177.20 176.73 3kfd n THR 56 N -2.06 0.00 -0.17 5.18 -2.24 -1.26 -5.00 114.28 108.72 3kfd n THR 56 Ca 0.00 -0.94 -0.10 0.00 -2.27 0.00 0.00 64.05 60.74 3kfd n THR 56 Cb 0.00 -0.01 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 3kfd n THR 56 CO 0.00 0.00 0.00 1.56 -0.57 0.00 0.00 175.07 176.06 3kfd h GLN 57 N 0.00 0.94 -0.10 -0.78 4.20 -2.01 -2.30 115.11 115.06 3kfd h GLN 57 Ca -0.16 -0.34 0.03 0.00 0.06 0.00 0.00 58.65 58.24 3kfd h GLN 57 Cb 0.52 -0.07 -0.00 0.00 0.30 0.00 0.00 27.48 28.23 3kfd h GLN 57 CO 0.26 1.00 0.07 -0.92 -0.67 0.00 0.00 178.83 178.57 3kfd h TYR 58 N 0.80 0.00 -0.08 2.96 3.20 -1.98 -0.05 116.97 121.82 3kfd h TYR 58 Ca 0.13 0.00 -0.00 0.00 3.14 0.00 0.00 58.73 62.00 3kfd h TYR 58 Cb 0.62 0.00 -0.00 0.00 1.54 0.00 0.00 36.73 38.89 3kfd h TYR 58 CO 0.05 0.00 0.04 0.77 -1.64 0.00 0.00 178.16 177.37 3kfd h SER 59 N 0.00 0.10 -0.19 -2.11 0.02 -1.77 -0.56 113.55 109.03 3kfd h SER 59 Ca 0.05 -0.12 -0.01 0.00 -0.84 0.00 0.00 61.79 60.86 3kfd h SER 59 Cb 0.19 -0.03 -0.01 0.00 0.14 0.00 0.00 62.40 62.70 3kfd h SER 59 CO -0.00 0.19 0.07 0.11 -1.14 0.00 0.00 176.83 176.07 3kfd h LYS 60 N -0.00 0.29 -0.94 3.45 1.57 -1.05 -1.35 116.57 118.54 3kfd h LYS 60 Ca 0.03 -0.05 0.08 0.00 -1.87 0.00 0.00 60.65 58.83 3kfd h LYS 60 Cb 0.12 -0.05 -0.06 0.00 0.08 0.00 0.00 32.23 32.32 3kfd h LYS 60 CO -0.00 0.36 0.61 0.28 -0.57 0.00 0.00 179.45 180.13 3kfd h VAL 61 N 0.15 1.04 0.00 0.50 2.07 -1.00 0.18 116.25 119.19 3kfd h VAL 61 Ca 0.06 -0.36 -0.13 0.00 0.82 0.00 0.00 66.70 67.10 3kfd h VAL 61 Cb 0.18 -0.09 -0.02 0.00 -1.52 0.00 0.00 31.29 29.85 3kfd h VAL 61 CO -0.00 0.19 -0.61 0.25 0.02 0.00 0.00 177.57 177.41 3kfd h LEU 62 N 1.04 0.00 -0.02 2.57 5.85 -0.88 -2.04 115.31 121.82 3kfd h LEU 62 Ca 0.42 0.00 -0.08 0.00 0.84 0.00 0.00 57.88 59.06 3kfd h LEU 62 Cb 0.26 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.29 3kfd h LEU 62 CO -0.17 0.61 -0.30 0.00 -0.34 0.00 0.00 178.44 178.24 3kfd h ALA 63 N 1.39 0.07 -0.16 1.25 0.00 -0.00 -2.25 119.26 119.55 3kfd h ALA 63 Ca -0.01 -0.46 0.04 0.00 0.00 0.00 0.00 54.91 54.48 3kfd h ALA 63 Cb 1.12 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.88 3kfd h ALA 63 CO 0.08 0.13 -0.08 -0.07 0.00 0.00 0.00 179.25 179.31 3kfd h LEU 64 N -0.36 -0.27 -0.08 0.00 3.38 -0.73 0.20 115.31 117.45 3kfd h LEU 64 Ca -0.03 0.07 0.04 0.00 0.09 0.00 0.00 57.88 58.05 3kfd h LEU 64 Cb 1.01 0.15 -0.06 0.00 0.09 0.00 0.00 40.66 41.85 3kfd h LEU 64 CO 0.06 -0.11 -0.37 0.22 0.09 0.00 0.00 178.44 178.33 3kfd h TYR 65 N -0.07 -1.03 -0.65 1.13 5.03 -1.44 -1.05 116.97 118.89 3kfd h TYR 65 Ca 0.09 0.04 0.10 0.00 2.58 0.00 0.00 58.73 61.54 3kfd h TYR 65 Cb 0.20 0.46 -0.08 0.00 1.55 0.00 0.00 36.73 38.87 3kfd h TYR 65 CO -0.23 -0.44 0.25 -0.97 -1.32 0.00 0.00 178.16 175.45 3kfd h ASN 66 N -0.47 0.25 -0.28 -2.11 -1.24 -1.00 0.31 115.58 111.04 3kfd h ASN 66 Ca 0.07 0.08 0.05 0.00 0.71 0.00 0.00 56.30 57.22 3kfd h ASN 66 Cb 0.60 0.06 -0.01 0.00 0.73 0.00 0.00 38.32 39.69 3kfd h ASN 66 CO -0.34 0.14 0.19 -0.61 -1.29 0.00 0.00 177.43 175.52 3kfd h GLN 67 N 0.43 0.16 0.00 6.67 4.15 0.18 -0.87 115.11 125.84 3kfd h GLN 67 Ca 0.33 -0.01 -0.01 0.00 0.77 0.00 0.00 58.65 59.73 3kfd h GLN 67 Cb 0.42 -0.04 -0.00 0.00 0.21 0.00 0.00 27.48 28.07 3kfd h GLN 67 CO -0.32 0.11 -1.08 0.72 -1.93 0.00 0.00 178.83 176.32 3kfd n HIS 68 N -4.48 0.93 -3.26 3.99 8.25 -0.11 -4.35 115.22 116.20 3kfd n HIS 68 Ca 0.03 0.28 -0.26 0.00 -0.26 0.00 0.00 57.72 57.50 3kfd n HIS 68 Cb 0.23 -0.95 -0.07 0.00 1.12 0.00 0.00 29.99 30.32 3kfd n HIS 68 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 3kfd n ASN 69 N -2.68 3.33 -4.55 0.41 4.13 0.89 -5.09 115.26 111.71 3kfd n ASN 69 Ca -0.01 -3.39 -0.54 0.00 1.68 0.00 0.00 54.58 52.32 3kfd n ASN 69 Cb 0.57 -0.64 -0.06 0.00 -1.54 0.00 0.00 39.78 38.12 3kfd n ASN 69 CO 0.00 0.00 0.00 -2.65 0.28 0.00 0.00 177.26 174.89 3kfd n PRO 70 N 0.61 0.67 -3.18 3.52 -0.02 -0.68 -2.58 135.00 133.34 3kfd n PRO 70 Ca 0.29 0.24 -0.05 0.00 -2.02 0.00 0.00 63.50 61.96 3kfd n PRO 70 Cb 0.43 -1.78 0.00 0.00 -0.02 0.00 0.00 33.50 32.14 3kfd n PRO 70 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3kfd n GLY 71 N 2.04 -1.24 0.48 -1.23 0.00 -1.26 -4.95 105.19 99.02 3kfd n GLY 71 Ca 0.18 0.54 0.05 0.00 0.00 0.00 0.00 46.02 46.80 3kfd n GLY 71 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kfd n ALA 72 N -1.82 2.35 -2.76 4.61 0.00 -1.07 -4.98 120.51 116.84 3kfd n ALA 72 Ca -0.05 -0.81 -0.21 0.00 0.00 0.00 0.00 53.44 52.37 3kfd n ALA 72 Cb 0.53 -0.36 0.02 0.00 0.00 0.00 0.00 19.45 19.64 3kfd n ALA 72 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3kfd n SER 73 N 0.50 -5.92 -3.16 0.00 2.88 -1.26 -4.96 113.62 101.70 3kfd n SER 73 Ca 0.08 -0.18 0.03 0.00 -1.33 0.00 0.00 58.87 57.47 3kfd n SER 73 Cb 0.32 -4.81 -0.00 0.00 -0.75 0.00 0.00 64.21 58.96 3kfd n SER 73 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3kfd s ALA 74 N -3.11 -2.31 0.25 -1.46 0.00 -1.26 -5.16 121.76 108.72 3kfd s ALA 74 Ca 0.18 1.00 -0.15 0.00 0.00 0.00 0.00 51.96 52.99 3kfd s ALA 74 Cb -0.08 -2.50 0.00 0.00 0.00 0.00 0.00 23.12 20.54 3kfd s ALA 74 CO 0.22 -1.82 0.54 0.00 0.00 0.00 0.00 175.76 174.70 3kfd s ALA 75 N 2.81 -0.50 0.38 0.00 0.00 -1.26 -4.53 121.76 118.66 3kfd s ALA 75 Ca 0.10 -0.71 -0.27 0.00 0.00 0.00 0.00 51.96 51.08 3kfd s ALA 75 Cb -0.10 1.01 -0.09 0.00 0.00 0.00 0.00 23.12 23.93 3kfd s ALA 75 CO -0.26 -0.90 1.30 -2.14 0.00 0.00 0.00 175.76 173.76 3kfd s PRO 76 N -3.99 4.10 0.03 0.00 0.02 -1.26 -5.00 135.00 128.91 3kfd s PRO 76 Ca 0.19 2.16 0.02 0.00 0.02 0.00 0.00 61.00 63.39 3kfd s PRO 76 Cb -0.02 -2.86 -0.04 0.00 0.02 0.00 0.00 34.50 31.60 3kfd s PRO 76 CO 0.08 -0.38 0.05 0.00 -0.33 0.00 0.00 177.00 176.42 3kfd s VAL 79 N 5.33 2.45 0.95 0.00 -7.23 -0.90 -4.50 120.40 116.50 3kfd s VAL 79 Ca 0.33 -2.12 -0.10 0.00 -1.81 0.00 0.00 61.98 58.28 3kfd s VAL 79 Cb -0.09 -2.21 0.17 0.00 0.56 0.00 0.00 36.38 34.80 3kfd s VAL 79 CO 0.12 -0.20 1.13 -2.16 -0.31 0.00 0.00 175.10 173.69 3kfd s PRO 80 N -2.94 0.71 0.12 4.82 0.04 -1.26 -0.66 135.00 135.83 3kfd s PRO 80 Ca 0.24 1.48 0.00 0.00 0.04 0.00 0.00 61.00 62.76 3kfd s PRO 80 Cb -0.07 -1.70 0.00 0.00 0.04 0.00 0.00 34.50 32.77 3kfd s PRO 80 CO 0.12 -2.82 0.00 0.94 0.04 0.00 0.00 177.00 175.28 3kfd n GLN 81 N -4.36 0.00 -3.56 4.56 7.27 -0.49 -4.61 117.38 116.19 3kfd n GLN 81 Ca 0.11 0.00 -0.40 0.00 0.07 0.00 0.00 57.00 56.78 3kfd n GLN 81 Cb 0.52 -0.16 -0.11 0.00 2.41 0.00 0.00 30.24 32.90 3kfd n GLN 81 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 3kfd s ALA 82 N -2.00 3.45 -0.06 1.69 0.00 -1.19 -4.99 121.76 118.65 3kfd s ALA 82 Ca 0.00 -1.38 0.01 0.00 0.00 0.00 0.00 51.96 50.59 3kfd s ALA 82 Cb 0.00 -2.59 -0.03 0.00 0.00 0.00 0.00 23.12 20.50 3kfd s ALA 82 CO 0.00 -0.94 -0.07 -0.51 0.00 0.00 0.00 175.76 174.24 3kfd s LEU 83 N 1.70 3.17 0.38 0.00 1.43 -1.26 -0.49 118.68 123.61 3kfd s LEU 83 Ca 0.06 -0.03 0.08 0.00 -1.03 0.00 0.00 54.13 53.21 3kfd s LEU 83 Cb -0.17 -1.70 -0.07 0.00 0.03 0.00 0.00 46.19 44.28 3kfd s LEU 83 CO 0.09 0.36 0.01 -1.61 0.23 0.00 0.00 176.35 175.43 3kfd s GLU 84 N -0.87 1.99 0.70 1.70 2.02 0.31 -4.62 118.70 119.94 3kfd s GLU 84 Ca 0.13 -1.95 -0.11 0.00 0.02 0.00 0.00 54.97 53.07 3kfd s GLU 84 Cb -0.11 -1.77 0.16 0.00 0.10 0.00 0.00 34.13 32.51 3kfd s GLU 84 CO 0.02 0.03 0.96 -0.35 0.02 0.00 0.00 175.26 175.93 3kfd n PRO 85 N -0.97 -0.82 -3.35 0.39 -0.04 -1.26 0.78 135.00 129.73 3kfd n PRO 85 Ca -0.04 -1.61 -0.11 0.00 -0.04 0.00 0.00 63.50 61.70 3kfd n PRO 85 Cb 0.65 -0.95 -0.08 0.00 -0.04 0.00 0.00 33.50 33.09 3kfd n PRO 85 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 3kfd s LEU 86 N 0.00 -0.58 -0.08 1.53 2.96 0.12 -4.44 118.68 118.18 3kfd s LEU 86 Ca 0.55 -0.33 -0.30 0.00 -0.22 0.00 0.00 54.13 53.83 3kfd s LEU 86 Cb -0.02 0.93 -0.08 0.00 0.50 0.00 0.00 46.19 47.52 3kfd s LEU 86 CO 0.38 -0.35 2.05 -0.81 -1.32 0.00 0.00 176.35 176.31 3kfd n PRO 87 N 5.34 2.39 -4.70 0.98 -0.04 -1.26 -1.75 135.00 135.96 3kfd n PRO 87 Ca -0.01 0.81 -0.31 0.00 -0.04 0.00 0.00 63.50 63.95 3kfd n PRO 87 Cb 0.49 -3.00 -0.08 0.00 -0.04 0.00 0.00 33.50 30.87 3kfd n PRO 87 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 3kfd s ILE 88 N 5.77 1.10 -0.14 0.52 -4.36 -0.52 -4.61 121.20 118.96 3kfd s ILE 88 Ca 0.94 -2.00 -0.04 0.00 -0.26 0.00 0.00 60.65 59.29 3kfd s ILE 88 Cb -0.47 -2.25 0.07 0.00 1.25 0.00 0.00 42.46 41.06 3kfd s ILE 88 CO 0.42 0.00 0.23 -0.69 0.24 0.00 0.00 174.94 175.13 3kfd s VAL 89 N -2.94 -0.35 0.05 8.37 1.01 0.13 -2.86 120.40 123.80 3kfd s VAL 89 Ca 0.11 0.20 0.03 0.00 0.00 0.00 0.00 61.98 62.32 3kfd s VAL 89 Cb 0.02 -0.46 -0.02 0.00 0.00 0.00 0.00 36.38 35.91 3kfd s VAL 89 CO 0.06 0.04 -0.10 -0.72 0.00 0.00 0.00 175.10 174.38 3kfd s TYR 90 N 2.36 0.88 -0.10 5.22 1.13 -0.62 -0.40 117.35 125.82 3kfd s TYR 90 Ca 0.03 -0.44 -0.19 0.00 -1.41 0.00 0.00 57.07 55.06 3kfd s TYR 90 Cb -0.13 -0.52 -0.04 0.00 -1.10 0.00 0.00 41.96 40.17 3kfd s TYR 90 CO -0.09 -0.02 0.50 0.71 -2.51 0.00 0.00 175.55 174.14 3kfd s TYR 91 N -1.21 3.54 -0.66 -3.49 2.02 -1.26 0.02 117.35 116.31 3kfd s TYR 91 Ca -0.06 0.95 0.02 0.00 -0.37 0.00 0.00 57.07 57.61 3kfd s TYR 91 Cb -0.09 -2.57 0.16 0.00 -0.40 0.00 0.00 41.96 39.06 3kfd s TYR 91 CO 0.01 0.19 0.46 0.08 -1.57 0.00 0.00 175.55 174.72 3kfd s VAL 92 N 0.52 3.21 0.00 0.71 1.01 -1.24 -4.91 120.40 119.70 3kfd s VAL 92 Ca 0.27 -3.65 0.00 0.00 0.00 0.00 0.00 61.98 58.60 3kfd s VAL 92 Cb -0.16 -3.11 0.00 0.00 0.00 0.00 0.00 36.38 33.12 3kfd s VAL 92 CO 0.12 -0.93 0.00 0.61 0.00 0.00 0.00 175.10 174.90 3kfd n GLY 93 N 2.69 1.20 0.00 4.51 0.00 -1.26 -4.02 105.19 108.31 3kfd n GLY 93 Ca 0.13 -0.69 -0.00 0.00 0.00 0.00 0.00 46.02 45.46 3kfd n GLY 93 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kfd n ARG 94 N 0.00 2.62 -2.88 1.61 1.74 -1.26 -4.96 116.66 113.52 3kfd n ARG 94 Ca 0.00 -0.00 -0.43 0.00 -0.77 0.00 0.00 57.85 56.65 3kfd n ARG 94 Cb 0.00 -1.04 -0.04 0.00 -1.02 0.00 0.00 32.46 30.36 3kfd n ARG 94 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 3kfd s LYS 95 N -2.06 3.24 0.08 5.56 1.02 -1.26 -5.00 119.74 121.32 3kfd s LYS 95 Ca -0.01 -0.51 -0.31 0.00 0.02 0.00 0.00 55.97 55.17 3kfd s LYS 95 Cb 0.01 -4.11 -0.09 0.00 -0.52 0.00 0.00 37.83 33.11 3kfd s LYS 95 CO 0.06 -1.55 1.82 -1.25 -0.92 0.00 0.00 175.35 173.51 3kfd s PRO 96 N 3.82 4.15 -0.21 -1.68 0.04 -1.26 -3.63 135.00 136.23 3kfd s PRO 96 Ca 0.26 2.52 -0.27 0.00 0.04 0.00 0.00 61.00 63.56 3kfd s PRO 96 Cb -0.15 -3.76 -0.00 0.00 0.04 0.00 0.00 34.50 30.63 3kfd s PRO 96 CO 0.16 -0.85 0.92 0.15 0.04 0.00 0.00 177.00 177.41 3kfd s LYS 97 N 3.24 4.25 -0.35 4.56 1.02 0.10 -4.92 119.74 127.65 3kfd s LYS 97 Ca 0.81 1.14 -0.09 0.00 0.02 0.00 0.00 55.97 57.85 3kfd s LYS 97 Cb -0.43 -3.62 0.02 0.00 -0.52 0.00 0.00 37.83 33.28 3kfd s LYS 97 CO 0.36 -0.50 0.16 0.08 -0.92 0.00 0.00 175.35 174.53 3kfd s VAL 98 N 2.76 4.33 0.30 3.17 1.01 -1.26 -1.59 120.40 129.12 3kfd s VAL 98 Ca 0.40 -0.83 -0.05 0.00 0.00 0.00 0.00 61.98 61.50 3kfd s VAL 98 Cb -0.16 -3.37 -0.01 0.00 0.00 0.00 0.00 36.38 32.85 3kfd s VAL 98 CO 0.09 -0.13 0.42 -1.83 0.00 0.00 0.00 175.10 173.64 3kfd s GLU 99 N 1.52 1.70 -0.03 2.72 -1.05 -1.14 -5.02 118.70 117.42 3kfd s GLU 99 Ca 0.02 -1.61 -0.13 0.00 -0.15 0.00 0.00 54.97 53.09 3kfd s GLU 99 Cb -0.19 0.42 -0.05 0.00 -0.44 0.00 0.00 34.13 33.87 3kfd s GLU 99 CO 0.05 -0.69 0.35 -0.65 0.95 0.00 0.00 175.26 175.28 3kfd s GLN 100 N -3.49 3.84 -0.37 -4.83 -1.52 -1.26 -1.43 119.66 110.60 3kfd s GLN 100 Ca 0.30 0.30 -0.09 0.00 -1.95 0.00 0.00 55.36 53.92 3kfd s GLN 100 Cb 0.01 -3.22 0.04 0.00 -0.22 0.00 0.00 33.01 29.61 3kfd s GLN 100 CO 0.16 0.69 0.18 -0.51 -0.25 0.00 0.00 175.29 175.56 3kfd s LEU 101 N -1.01 4.62 0.56 2.90 1.43 -0.72 -4.90 118.68 121.56 3kfd s LEU 101 Ca 0.22 -1.10 -0.18 0.00 -1.03 0.00 0.00 54.13 52.04 3kfd s LEU 101 Cb -0.16 -1.96 -0.05 0.00 0.03 0.00 0.00 46.19 44.05 3kfd s LEU 101 CO 0.11 -0.38 1.06 -0.55 0.23 0.00 0.00 176.35 176.82 3kfd s SER 102 N 1.55 5.94 -1.26 2.29 0.15 -1.26 0.13 113.70 121.23 3kfd s SER 102 Ca 0.01 1.89 -0.21 0.00 0.70 0.00 0.00 55.95 58.34 3kfd s SER 102 Cb -0.20 -2.55 0.02 0.00 -1.71 0.00 0.00 66.02 61.58 3kfd s SER 102 CO 0.05 -1.06 0.60 0.59 1.20 0.00 0.00 173.24 174.62 3kfd n ASN 103 N -1.63 -3.33 -0.02 5.45 4.13 -1.12 -4.87 115.26 113.87 3kfd n ASN 103 Ca 0.09 -1.16 0.00 0.00 1.68 0.00 0.00 54.58 55.19 3kfd n ASN 103 Cb 0.53 -2.44 -0.06 0.00 -1.54 0.00 0.00 39.78 36.26 3kfd n ASN 103 CO 0.00 0.00 0.00 0.80 0.28 0.00 0.00 177.26 178.34 3kfd n MET 104 N -4.62 1.46 -4.38 3.52 1.56 0.23 -4.85 117.12 110.05 3kfd n MET 104 Ca -0.16 -0.04 -0.26 0.00 -0.27 0.00 0.00 57.70 56.97 3kfd n MET 104 Cb 0.61 -1.19 -0.13 0.00 2.15 0.00 0.00 33.22 34.66 3kfd n MET 104 CO 0.00 0.00 0.00 0.42 -0.73 0.00 0.00 175.97 175.66 3kfd s ILE 105 N -2.38 1.85 -0.15 1.12 1.01 -0.47 -4.78 121.20 117.41 3kfd s ILE 105 Ca -0.03 -1.55 -0.04 0.00 0.00 0.00 0.00 60.65 59.03 3kfd s ILE 105 Cb 0.04 -1.66 -0.03 0.00 0.01 0.00 0.00 42.46 40.82 3kfd s ILE 105 CO 0.32 0.02 -0.01 0.54 0.00 0.00 0.00 174.94 175.81 3kfd s VAL 106 N -1.08 4.13 -0.21 2.92 0.11 -0.95 0.11 120.40 125.43 3kfd s VAL 106 Ca 0.09 -0.28 -0.17 0.00 -2.93 0.00 0.00 61.98 58.68 3kfd s VAL 106 Cb -0.10 -2.81 -0.13 0.00 -1.53 0.00 0.00 36.38 31.81 3kfd s VAL 106 CO 0.04 0.50 -0.02 0.54 -3.33 0.00 0.00 175.10 172.83 3kfd n ARG 107 N 3.31 0.54 -4.28 1.54 5.12 0.35 -4.83 116.66 118.41 3kfd n ARG 107 Ca -0.17 0.48 -0.17 0.00 -1.93 0.00 0.00 57.85 56.06 3kfd n ARG 107 Cb 0.53 -1.66 -0.10 0.00 -1.16 0.00 0.00 32.46 30.06 3kfd n ARG 107 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 3kfd s SER 108 N -6.67 2.10 0.46 0.55 1.04 -1.24 -0.87 113.70 109.07 3kfd s SER 108 Ca -0.28 -0.96 0.05 0.00 0.48 0.00 0.00 55.95 55.25 3kfd s SER 108 Cb 0.07 -0.07 -0.04 0.00 0.10 0.00 0.00 66.02 66.08 3kfd s SER 108 CO 0.48 -0.23 0.12 0.00 0.98 0.00 0.00 173.24 174.59 3kfd s LYS 110 N -3.90 0.83 -0.29 0.00 0.00 0.16 -4.72 119.74 111.82 3kfd s LYS 110 Ca 0.29 0.71 -0.26 0.00 0.00 0.00 0.00 55.97 56.71 3kfd s LYS 110 Cb 0.04 0.40 0.00 0.00 0.00 0.00 0.00 37.83 38.28 3kfd s LYS 110 CO 0.16 -0.16 0.89 0.00 0.00 0.00 0.00 175.35 176.24