#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 -3.19 -4.99 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 55.33 3kfd n LEU 2 Cb 0.00 -2.52 0.04 0.00 -2.33 0.00 0.00 43.42 38.61 3kfd n LEU 2 CO 0.00 0.49 0.24 1.51 -1.33 0.00 0.00 177.39 178.30 3kfd s ASP 3 N -3.38 4.94 0.48 -1.43 1.47 -1.26 -1.36 116.67 116.13 3kfd s ASP 3 Ca 0.40 -0.98 0.15 0.00 1.18 0.00 0.00 52.55 53.29 3kfd s ASP 3 Cb -0.17 0.33 1.12 0.00 -0.34 0.00 0.00 42.92 43.85 3kfd s ASP 3 CO 0.58 -1.25 2.07 0.71 0.68 0.00 0.00 175.17 177.96 3kfd h THR 4 N 0.38 1.07 -0.95 2.11 1.35 -1.61 -0.16 112.91 115.10 3kfd h THR 4 Ca -0.32 -0.30 0.11 0.00 -0.55 0.00 0.00 66.41 65.35 3kfd h THR 4 Cb 1.29 1.12 -0.07 0.00 -1.73 0.00 0.00 68.15 68.76 3kfd h THR 4 CO 0.46 0.09 0.61 0.78 -0.25 0.00 0.00 175.52 177.21 3kfd h ASN 5 N 0.03 0.85 0.00 5.36 2.35 -1.95 -1.50 115.58 120.73 3kfd h ASN 5 Ca 0.01 0.03 -0.13 0.00 -0.55 0.00 0.00 56.30 55.66 3kfd h ASN 5 Cb 0.14 -0.14 -0.02 0.00 0.05 0.00 0.00 38.32 38.36 3kfd h ASN 5 CO 0.01 0.47 -0.99 0.00 -1.65 0.00 0.00 177.43 175.27 3kfd n TYR 6 N -4.57 0.86 -0.31 1.19 9.36 -0.78 -3.83 117.16 119.07 3kfd n TYR 6 Ca 0.17 0.37 -0.01 0.00 3.32 0.00 0.00 57.90 61.75 3kfd n TYR 6 Cb 0.34 -0.91 0.11 0.00 -0.63 0.00 0.00 39.34 38.25 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 1.04 0.00 0.01 0.00 -1.00 -1.48 -3.27 116.94 112.24 3kfd h PHE 8 Ca 0.34 0.00 -0.28 0.00 2.81 0.00 0.00 57.97 60.84 3kfd h PHE 8 Cb 0.03 0.00 -0.04 0.00 3.61 0.00 0.00 35.95 39.54 3kfd h PHE 8 CO -0.02 0.37 -1.60 0.66 -1.61 0.00 0.00 178.31 176.11 3kfd h SER 9 N 0.00 0.03 -4.46 2.17 4.64 -1.34 -3.48 113.55 111.11 3kfd h SER 9 Ca -0.00 -0.06 -0.29 0.00 -0.47 0.00 0.00 61.79 60.97 3kfd h SER 9 Cb 1.02 -0.01 -0.03 0.00 -0.31 0.00 0.00 62.40 63.07 3kfd h SER 9 CO 0.05 1.05 -0.16 -1.54 -0.87 0.00 0.00 176.83 175.36 3kfd n SER 10 N -3.13 2.05 -3.71 4.97 3.41 0.92 -5.08 113.62 113.05 3kfd n SER 10 Ca -0.15 -1.95 -0.16 0.00 -0.26 0.00 0.00 58.87 56.35 3kfd n SER 10 Cb 1.03 0.03 -0.16 0.00 -0.26 0.00 0.00 64.21 64.85 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 -1.45 -0.14 0.05 6.66 -1.32 -1.26 -4.80 115.64 113.39 3kfd s THR 11 Ca 0.11 0.30 -0.27 0.00 -1.21 0.00 0.00 61.69 60.62 3kfd s THR 11 Cb -0.01 -0.21 0.09 0.00 -1.51 0.00 0.00 72.50 70.86 3kfd s THR 11 CO 0.07 0.12 0.89 -1.83 -2.21 0.00 0.00 174.62 171.66 3kfd s GLU 12 N 1.75 0.96 0.25 7.08 -1.05 -1.26 -5.06 118.70 121.36 3kfd s GLU 12 Ca -0.02 -0.41 0.21 0.00 -0.15 0.00 0.00 54.97 54.60 3kfd s GLU 12 Cb -0.12 0.40 0.07 0.00 -0.44 0.00 0.00 34.13 34.04 3kfd s GLU 12 CO -0.05 -0.43 1.18 0.87 0.95 0.00 0.00 175.26 177.79 3kfd h LYS 13 N 2.00 0.00 -7.33 -4.83 1.57 -1.99 -3.47 116.57 102.51 3kfd h LYS 13 Ca -0.23 0.00 -0.50 0.00 -1.87 0.00 0.00 60.65 58.05 3kfd h LYS 13 Cb 1.24 0.00 0.14 0.00 0.08 0.00 0.00 32.23 33.69 3kfd h LYS 13 CO 0.30 0.09 0.29 -0.80 -0.57 0.00 0.00 179.45 178.75 3kfd s ASN 14 N -5.73 4.03 -0.25 0.86 0.01 -1.26 -3.96 114.94 108.64 3kfd s ASN 14 Ca 0.01 1.65 -0.43 0.00 -0.71 0.00 0.00 52.86 53.38 3kfd s ASN 14 Cb 0.08 -2.34 -0.20 0.00 0.41 0.00 0.00 41.25 39.21 3kfd s ASN 14 CO 0.76 -2.31 1.36 0.00 -1.51 0.00 0.00 177.10 175.40 3kfd s VAL 17 N -3.39 4.46 0.39 0.00 0.11 -1.26 -2.32 120.40 118.39 3kfd s VAL 17 Ca 0.06 1.76 0.08 0.00 -2.93 0.00 0.00 61.98 60.94 3kfd s VAL 17 Cb -0.01 -4.13 -0.03 0.00 -1.53 0.00 0.00 36.38 30.68 3kfd s VAL 17 CO -0.07 0.01 0.33 -0.13 -3.33 0.00 0.00 175.10 171.92 3kfd s ARG 18 N 2.03 2.55 0.33 1.54 1.81 0.22 -4.65 118.95 122.78 3kfd s ARG 18 Ca 0.53 -1.50 -0.26 0.00 -1.72 0.00 0.00 55.73 52.78 3kfd s ARG 18 Cb -0.22 -2.36 -0.10 0.00 -0.45 0.00 0.00 34.95 31.81 3kfd s ARG 18 CO 0.21 -0.11 0.96 -1.14 -0.68 0.00 0.00 175.30 174.54 3kfd s GLN 19 N -4.07 4.53 -0.29 3.54 2.00 -1.26 -1.90 119.66 122.20 3kfd s GLN 19 Ca 0.46 1.34 -0.01 0.00 -2.00 0.00 0.00 55.36 55.14 3kfd s GLN 19 Cb -0.03 -2.75 0.19 0.00 0.80 0.00 0.00 33.01 31.22 3kfd s GLN 19 CO 0.27 0.23 0.76 -1.17 -0.50 0.00 0.00 175.29 174.88 3kfd s LEU 20 N -2.16 -1.16 0.49 3.68 2.96 -1.26 -4.72 118.68 116.50 3kfd s LEU 20 Ca 0.51 0.20 -0.18 0.00 -0.22 0.00 0.00 54.13 54.44 3kfd s LEU 20 Cb -0.18 1.76 -0.09 0.00 0.50 0.00 0.00 46.19 48.18 3kfd s LEU 20 CO 0.24 -0.21 0.98 -0.47 -1.32 0.00 0.00 176.35 175.57 3kfd s TYR 21 N 2.88 3.32 -0.04 5.38 5.04 -1.26 -1.59 117.35 131.07 3kfd s TYR 21 Ca 0.16 1.53 -0.02 0.00 -2.44 0.00 0.00 57.07 56.31 3kfd s TYR 21 Cb -0.08 -2.86 0.03 0.00 0.35 0.00 0.00 41.96 39.41 3kfd s TYR 21 CO -0.24 -0.37 0.04 0.42 -1.34 0.00 0.00 175.55 174.06 3kfd s ILE 22 N -2.39 -0.01 -0.22 3.14 1.01 0.10 -4.90 121.20 117.93 3kfd s ILE 22 Ca 0.61 0.34 -0.17 0.00 0.00 0.00 0.00 60.65 61.44 3kfd s ILE 22 Cb -0.11 -0.21 -0.03 0.00 0.01 0.00 0.00 42.46 42.12 3kfd s ILE 22 CO 0.24 0.18 0.44 -0.62 0.00 0.00 0.00 174.94 175.18 3kfd s ASP 23 N 1.97 6.44 0.15 3.58 -1.08 -1.26 -0.95 116.67 125.51 3kfd s ASP 23 Ca 0.03 0.52 -0.17 0.00 -0.52 0.00 0.00 52.55 52.41 3kfd s ASP 23 Cb -0.12 -2.25 0.04 0.00 -1.46 0.00 0.00 42.92 39.12 3kfd s ASP 23 CO -0.03 -0.16 1.76 -0.26 0.52 0.00 0.00 175.17 177.00 3kfd h PHE 24 N 7.64 0.24 -0.36 -5.34 0.04 -1.84 -0.42 116.94 116.89 3kfd h PHE 24 Ca -0.33 0.02 -0.12 0.00 2.80 0.00 0.00 57.97 60.33 3kfd h PHE 24 Cb 1.16 -0.06 -0.01 0.00 2.20 0.00 0.00 35.95 39.24 3kfd h PHE 24 CO 0.71 0.11 -0.23 -0.09 -0.60 0.00 0.00 178.31 178.21 3kfd h ARG 25 N 0.28 0.80 0.16 1.51 2.43 -1.77 0.19 114.38 117.97 3kfd h ARG 25 Ca 0.15 -0.37 -0.34 0.00 -0.81 0.00 0.00 59.98 58.60 3kfd h ARG 25 Cb 0.10 -0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 29.64 3kfd h ARG 25 CO -0.14 1.00 -1.74 -0.22 -1.51 0.00 0.00 179.97 177.36 3kfd h LYS 26 N 0.59 0.33 0.00 0.20 3.64 -1.84 -3.08 116.57 116.41 3kfd h LYS 26 Ca 0.07 -0.57 -0.38 0.00 -1.27 0.00 0.00 60.65 58.51 3kfd h LYS 26 Cb 0.79 0.21 -0.07 0.00 -0.41 0.00 0.00 32.23 32.75 3kfd h LYS 26 CO 0.06 1.23 -2.44 -0.25 -2.27 0.00 0.00 179.45 175.79 3kfd n ASP 27 N -3.52 1.16 -0.03 4.20 8.00 -0.17 -4.51 116.55 121.67 3kfd n ASP 27 Ca -0.24 -0.08 0.06 0.00 0.71 0.00 0.00 54.79 55.25 3kfd n ASP 27 Cb 1.06 0.17 -0.16 0.00 -0.02 0.00 0.00 41.12 42.17 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 -3.05 0.00 0.00 0.64 4.77 -0.96 -4.99 117.00 113.41 3kfd n LEU 28 Ca -0.40 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.58 3kfd n LEU 28 Cb 1.06 0.11 0.00 0.00 -2.33 0.00 0.00 43.42 42.26 3kfd n LEU 28 CO 0.33 0.11 0.00 0.61 -1.33 0.00 0.00 177.39 177.11 3kfd n GLY 29 N 1.40 2.13 3.77 -0.72 0.00 0.60 -4.99 105.19 107.38 3kfd n GLY 29 Ca -0.10 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.51 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 -2.32 2.50 0.00 1.61 0.51 -0.81 -4.80 118.94 115.63 3kfd s TRP 30 Ca 0.00 1.20 0.00 0.00 -2.12 0.00 0.00 56.10 55.18 3kfd s TRP 30 Cb 0.00 -4.00 0.00 0.00 -0.81 0.00 0.00 33.47 28.66 3kfd s TRP 30 CO 0.00 -3.04 0.38 1.63 -0.51 0.00 0.00 176.95 175.41 3kfd n LYS 31 N 0.14 -0.75 0.05 4.98 5.02 -1.26 -3.04 118.16 123.30 3kfd n LYS 31 Ca 0.03 -0.38 -0.01 0.00 -2.02 0.00 0.00 58.31 55.92 3kfd n LYS 31 Cb 0.40 -0.88 -0.07 0.00 -0.02 0.00 0.00 35.03 34.46 3kfd n LYS 31 CO 0.00 0.00 0.00 0.11 -0.52 0.00 0.00 177.40 176.99 3kfd h TRP 32 N 0.00 0.00 -2.95 2.13 5.08 -1.98 -3.45 115.95 114.77 3kfd h TRP 32 Ca 0.00 0.00 -0.56 0.00 1.08 0.00 0.00 58.89 59.41 3kfd h TRP 32 Cb 0.12 0.00 -0.03 0.00 -3.00 0.00 0.00 29.16 26.25 3kfd h TRP 32 CO 0.00 0.65 0.84 0.42 -1.28 0.00 0.00 178.44 179.07 3kfd s ILE 33 N -2.87 4.21 -0.01 0.12 1.01 -1.26 -4.34 121.20 118.06 3kfd s ILE 33 Ca -0.02 1.50 -0.06 0.00 0.00 0.00 0.00 60.65 62.07 3kfd s ILE 33 Cb 0.08 -3.96 -0.29 0.00 0.01 0.00 0.00 42.46 38.30 3kfd s ILE 33 CO 0.80 -0.08 0.82 -0.74 0.00 0.00 0.00 174.94 175.74 3kfd h HIS 34 N 8.00 0.56 -2.97 3.97 -0.00 -1.41 -3.46 115.15 119.84 3kfd h HIS 34 Ca -0.30 -0.41 -0.16 0.00 -0.00 0.00 0.00 60.37 59.50 3kfd h HIS 34 Cb 1.13 -0.02 -0.27 0.00 -0.00 0.00 0.00 27.41 28.25 3kfd h HIS 34 CO 0.78 1.47 -0.39 -1.21 -0.00 0.00 0.00 177.93 178.57 3kfd s GLU 35 N -2.61 0.31 0.74 5.26 0.41 -0.43 -4.47 118.70 117.92 3kfd s GLU 35 Ca -0.11 0.50 -0.07 0.00 -0.41 0.00 0.00 54.97 54.89 3kfd s GLU 35 Cb 0.06 0.05 0.09 0.00 -1.78 0.00 0.00 34.13 32.56 3kfd s GLU 35 CO 0.86 -0.10 1.05 -2.14 -0.49 0.00 0.00 175.26 174.44 3kfd s PRO 36 N 0.68 1.89 0.00 0.39 0.02 -1.26 -0.79 135.00 135.92 3kfd s PRO 36 Ca -0.04 -0.45 0.16 0.00 0.02 0.00 0.00 61.00 60.69 3kfd s PRO 36 Cb -0.06 -2.16 0.78 0.00 0.02 0.00 0.00 34.50 33.08 3kfd s PRO 36 CO -0.04 -1.43 1.47 0.36 -0.33 0.00 0.00 177.00 177.03 3kfd n LYS 37 N -3.01 0.17 0.00 5.54 0.00 -1.26 -4.88 118.16 114.72 3kfd n LYS 37 Ca 0.10 0.16 0.00 0.00 -0.00 0.00 0.00 58.31 58.57 3kfd n LYS 37 Cb 0.60 -1.50 0.00 0.00 -0.00 0.00 0.00 35.03 34.13 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 0.09 -0.89 3.71 2.58 0.00 -1.26 -2.77 105.19 106.64 3kfd n GLY 38 Ca 0.07 -1.01 -0.08 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 -0.29 -0.30 1.61 1.13 -0.12 -4.98 117.35 112.40 3kfd s TYR 39 Ca 0.00 -0.07 -0.18 0.00 -1.41 0.00 0.00 57.07 55.41 3kfd s TYR 39 Cb 0.00 0.65 -0.02 0.00 -1.10 0.00 0.00 41.96 41.50 3kfd s TYR 39 CO 0.00 -1.06 0.53 -1.01 -2.51 0.00 0.00 175.55 171.50 3kfd s HIS 40 N -3.78 3.23 -0.11 -3.49 3.76 -1.26 -0.73 115.29 112.91 3kfd s HIS 40 Ca 0.08 0.47 0.10 0.00 -0.15 0.00 0.00 55.06 55.55 3kfd s HIS 40 Cb -0.04 -2.83 -0.14 0.00 1.11 0.00 0.00 32.58 30.68 3kfd s HIS 40 CO 0.00 -0.40 0.03 0.00 -0.85 0.00 0.00 174.74 173.52 3kfd n ALA 41 N 5.66 1.72 -1.05 -1.40 0.00 -0.62 -4.87 120.51 119.95 3kfd n ALA 41 Ca -0.04 -0.74 0.14 0.00 0.00 0.00 0.00 53.44 52.80 3kfd n ALA 41 Cb 0.49 0.02 -0.03 0.00 0.00 0.00 0.00 19.45 19.93 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 -2.44 -6.24 -3.59 0.00 3.02 -0.99 -2.35 115.26 102.66 3kfd n ASN 42 Ca -0.19 1.10 -0.04 0.00 -0.03 0.00 0.00 54.58 55.42 3kfd n ASN 42 Cb 0.86 -3.08 -0.02 0.00 -0.61 0.00 0.00 39.78 36.94 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 -1.81 -0.16 -0.15 3.10 -0.71 -0.80 -4.69 117.98 112.76 3kfd s PHE 43 Ca 0.00 0.07 -0.13 0.00 -1.04 0.00 0.00 56.93 55.84 3kfd s PHE 43 Cb 0.00 0.53 -0.05 0.00 -1.21 0.00 0.00 43.02 42.29 3kfd s PHE 43 CO 0.00 -0.31 0.26 0.00 -1.34 0.00 0.00 175.22 173.83 3kfd s LEU 45 N 0.20 -0.26 0.00 0.00 2.96 -0.98 -4.80 118.68 115.81 3kfd s LEU 45 Ca 0.15 0.93 0.00 0.00 -0.22 0.00 0.00 54.13 55.00 3kfd s LEU 45 Cb -0.13 2.10 0.00 0.00 0.50 0.00 0.00 46.19 48.66 3kfd s LEU 45 CO 0.03 -0.35 0.00 0.61 -1.32 0.00 0.00 176.35 175.32 3kfd n GLY 46 N 2.05 4.00 3.46 7.98 0.00 -1.26 -1.96 105.19 119.45 3kfd n GLY 46 Ca -0.16 -1.40 -0.32 0.00 0.00 0.00 0.00 46.02 44.14 3kfd n GLY 46 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3kfd n PRO 47 N -0.93 -0.99 -3.59 1.61 -0.04 -1.25 -3.27 135.00 126.54 3kfd n PRO 47 Ca 0.00 -0.25 -0.27 0.00 -0.04 0.00 0.00 63.50 62.94 3kfd n PRO 47 Cb 0.00 -2.00 -0.10 0.00 -0.04 0.00 0.00 33.50 31.36 3kfd n PRO 47 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3kfd n PRO 49 N 1.53 -0.74 -1.68 0.00 -0.04 -1.26 -4.77 135.00 128.04 3kfd n PRO 49 Ca 0.25 -0.16 -0.44 0.00 -0.04 0.00 0.00 63.50 63.11 3kfd n PRO 49 Cb 0.40 -2.26 -0.02 0.00 -0.04 0.00 0.00 33.50 31.58 3kfd n PRO 49 CO 0.00 0.00 0.00 0.98 -0.04 0.00 0.00 175.50 176.44 3kfd n TYR 50 N -4.27 2.22 -1.82 0.54 9.36 -1.26 -2.19 117.16 119.75 3kfd n TYR 50 Ca 0.10 0.46 -0.16 0.00 3.32 0.00 0.00 57.90 61.62 3kfd n TYR 50 Cb 0.53 -2.45 -0.04 0.00 -0.63 0.00 0.00 39.34 36.74 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 1.40 -0.32 -3.51 2.97 0.13 -1.26 -4.96 119.36 113.82 3kfd n ILE 51 Ca 0.09 0.00 -0.41 0.00 -1.10 0.00 0.00 62.75 61.33 3kfd n ILE 51 Cb 0.33 -1.95 -0.05 0.00 -0.84 0.00 0.00 39.64 37.14 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 -2.67 3.77 -1.22 9.51 -0.11 -0.93 -4.74 118.94 122.54 3kfd s TRP 52 Ca 0.00 -2.52 -0.15 0.00 1.22 0.00 0.00 56.10 54.64 3kfd s TRP 52 Cb 0.00 -3.53 -0.00 0.00 -1.50 0.00 0.00 33.47 28.44 3kfd s TRP 52 CO 0.00 -0.89 0.69 0.43 -4.62 0.00 0.00 176.95 172.56 3kfd n SER 53 N 3.29 -3.80 -4.58 5.86 7.64 -1.26 -4.61 113.62 116.15 3kfd n SER 53 Ca 0.15 -1.01 -0.42 0.00 1.01 0.00 0.00 58.87 58.60 3kfd n SER 53 Cb 0.41 -3.29 -0.05 0.00 -1.01 0.00 0.00 64.21 60.27 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 -6.64 4.14 0.00 -3.43 1.43 -1.26 -1.74 118.68 111.18 3kfd s LEU 54 Ca 0.33 0.32 0.00 0.00 -1.03 0.00 0.00 54.13 53.75 3kfd s LEU 54 Cb -0.12 -3.01 0.00 0.00 0.03 0.00 0.00 46.19 43.09 3kfd s LEU 54 CO 0.87 -0.74 0.77 -0.67 0.23 0.00 0.00 176.35 176.81 3kfd n ASP 55 N 6.43 0.00 -3.18 2.29 4.64 0.06 -4.83 116.55 121.96 3kfd n ASP 55 Ca 0.03 0.77 -0.12 0.00 -1.38 0.00 0.00 54.79 54.09 3kfd n ASP 55 Cb 0.48 -0.27 -0.01 0.00 -1.04 0.00 0.00 41.12 40.28 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 -1.95 0.00 -0.09 5.18 -2.24 -1.26 -5.00 114.28 108.92 3kfd n THR 56 Ca 0.00 -0.96 -0.10 0.00 -2.27 0.00 0.00 64.05 60.72 3kfd n THR 56 Cb 0.00 -0.13 -0.03 0.00 -2.10 0.00 0.00 70.33 68.07 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 0.43 -0.32 -0.78 4.20 -2.01 -2.20 115.11 114.43 3kfd h GLN 57 Ca -0.16 -0.09 0.09 0.00 0.06 0.00 0.00 58.65 58.55 3kfd h GLN 57 Cb 0.54 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 28.25 3kfd h GLN 57 CO 0.25 0.49 0.28 -0.92 -0.67 0.00 0.00 178.83 178.26 3kfd h TYR 58 N 0.28 0.00 -0.63 2.96 3.20 -1.98 0.15 116.97 120.95 3kfd h TYR 58 Ca 0.09 0.00 -0.09 0.00 3.14 0.00 0.00 58.73 61.87 3kfd h TYR 58 Cb 0.24 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 38.49 3kfd h TYR 58 CO 0.01 0.00 0.04 0.77 -1.64 0.00 0.00 178.16 177.34 3kfd h SER 59 N 0.00 1.05 0.00 -2.11 0.02 -1.76 -0.75 113.55 110.01 3kfd h SER 59 Ca 0.15 -0.28 -0.13 0.00 -0.84 0.00 0.00 61.79 60.69 3kfd h SER 59 Cb 0.70 -0.28 0.01 0.00 0.14 0.00 0.00 62.40 62.97 3kfd h SER 59 CO -0.00 1.07 -0.51 0.11 -1.14 0.00 0.00 176.83 176.36 3kfd h LYS 60 N 0.99 0.34 -0.89 3.45 1.57 -0.67 -2.33 116.57 119.03 3kfd h LYS 60 Ca 0.18 -0.37 0.09 0.00 -1.87 0.00 0.00 60.65 58.68 3kfd h LYS 60 Cb 0.51 0.11 -0.06 0.00 0.08 0.00 0.00 32.23 32.86 3kfd h LYS 60 CO 0.02 1.06 0.58 0.28 -0.57 0.00 0.00 179.45 180.82 3kfd h VAL 61 N -0.23 1.00 -0.12 0.50 2.07 -1.00 0.29 116.25 118.76 3kfd h VAL 61 Ca -0.06 -0.32 -0.19 0.00 0.82 0.00 0.00 66.70 66.95 3kfd h VAL 61 Cb 1.24 -0.01 -0.00 0.00 -1.52 0.00 0.00 31.29 31.00 3kfd h VAL 61 CO 0.10 0.17 -0.70 0.25 0.02 0.00 0.00 177.57 177.41 3kfd h LEU 62 N 0.93 0.59 -0.03 2.57 5.85 -1.16 -1.79 115.31 122.28 3kfd h LEU 62 Ca 0.40 -0.37 -0.01 0.00 0.84 0.00 0.00 57.88 58.74 3kfd h LEU 62 Cb 0.34 -0.17 -0.00 0.00 0.37 0.00 0.00 40.66 41.19 3kfd h LEU 62 CO -0.17 1.12 -0.01 0.00 -0.34 0.00 0.00 178.44 179.04 3kfd h ALA 63 N 0.88 0.04 -0.32 1.25 0.00 -0.72 -1.81 119.26 118.58 3kfd h ALA 63 Ca -0.03 -0.22 0.07 0.00 0.00 0.00 0.00 54.91 54.74 3kfd h ALA 63 Cb 1.27 -0.01 -0.07 0.00 0.00 0.00 0.00 17.79 18.98 3kfd h ALA 63 CO 0.13 -0.24 -0.19 -0.07 0.00 0.00 0.00 179.25 178.88 3kfd h LEU 64 N -0.33 -0.62 0.11 0.00 3.38 -0.48 0.33 115.31 117.69 3kfd h LEU 64 Ca 0.01 0.14 0.02 0.00 0.09 0.00 0.00 57.88 58.13 3kfd h LEU 64 Cb 0.43 0.32 -0.05 0.00 0.09 0.00 0.00 40.66 41.46 3kfd h LEU 64 CO 0.00 -0.22 -0.50 0.22 0.09 0.00 0.00 178.44 178.03 3kfd h TYR 65 N -0.15 -1.44 -0.87 1.13 5.03 -1.32 -1.18 116.97 118.16 3kfd h TYR 65 Ca 0.17 0.04 0.17 0.00 2.58 0.00 0.00 58.73 61.68 3kfd h TYR 65 Cb 0.40 0.62 -0.10 0.00 1.55 0.00 0.00 36.73 39.19 3kfd h TYR 65 CO -0.39 -0.58 0.44 -0.97 -1.32 0.00 0.00 178.16 175.34 3kfd h ASN 66 N -0.72 0.49 -0.13 -2.11 -1.24 -0.79 0.30 115.58 111.38 3kfd h ASN 66 Ca 0.00 0.11 -0.00 0.00 0.71 0.00 0.00 56.30 57.12 3kfd h ASN 66 Cb 0.74 0.04 -0.01 0.00 0.73 0.00 0.00 38.32 39.82 3kfd h ASN 66 CO -0.28 0.16 0.07 -0.61 -1.29 0.00 0.00 177.43 175.48 3kfd h GLN 67 N 0.57 0.19 0.00 6.67 4.15 0.60 -1.16 115.11 126.13 3kfd h GLN 67 Ca 0.50 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.91 3kfd h GLN 67 Cb 0.79 -0.04 0.00 0.00 0.21 0.00 0.00 27.48 28.44 3kfd h GLN 67 CO -0.41 0.14 -1.08 0.72 -1.93 0.00 0.00 178.83 176.27 3kfd n HIS 68 N -4.50 0.64 -3.30 3.99 8.25 0.29 -4.36 115.22 116.22 3kfd n HIS 68 Ca -0.01 0.18 -0.26 0.00 -0.26 0.00 0.00 57.72 57.38 3kfd n HIS 68 Cb 0.09 -0.74 -0.07 0.00 1.12 0.00 0.00 29.99 30.39 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 -2.38 2.92 -4.59 0.41 4.13 0.78 -5.09 115.26 111.43 3kfd n ASN 69 Ca 0.00 -3.29 -0.54 0.00 1.68 0.00 0.00 54.58 52.44 3kfd n ASN 69 Cb 0.51 -0.65 -0.06 0.00 -1.54 0.00 0.00 39.78 38.04 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 0.82 0.96 -3.03 3.52 -0.02 -0.72 -2.71 135.00 133.82 3kfd n PRO 70 Ca 0.28 0.35 -0.00 0.00 -2.02 0.00 0.00 63.50 62.10 3kfd n PRO 70 Cb 0.45 -1.97 0.00 0.00 -0.02 0.00 0.00 33.50 31.96 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 2.52 -1.22 0.43 -1.23 0.00 -1.26 -4.96 105.19 99.47 3kfd n GLY 71 Ca 0.19 0.46 0.05 0.00 0.00 0.00 0.00 46.02 46.72 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 -1.78 2.30 -3.14 4.61 0.00 -1.10 -4.97 120.51 116.43 3kfd n ALA 72 Ca -0.00 -1.53 -0.20 0.00 0.00 0.00 0.00 53.44 51.71 3kfd n ALA 72 Cb 0.50 -0.36 -0.00 0.00 0.00 0.00 0.00 19.45 19.59 3kfd n ALA 72 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3kfd n SER 73 N -0.23 -3.65 -3.21 0.00 3.41 -1.26 -4.91 113.62 103.77 3kfd n SER 73 Ca 0.11 -0.23 -0.01 0.00 -0.26 0.00 0.00 58.87 58.48 3kfd n SER 73 Cb 0.50 -3.04 -0.03 0.00 -0.26 0.00 0.00 64.21 61.38 3kfd n SER 73 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3kfd s ALA 74 N -2.83 -1.92 0.26 7.33 0.00 -1.26 -5.16 121.76 118.19 3kfd s ALA 74 Ca 0.30 0.95 -0.22 0.00 0.00 0.00 0.00 51.96 53.00 3kfd s ALA 74 Cb -0.16 -2.26 0.03 0.00 0.00 0.00 0.00 23.12 20.72 3kfd s ALA 74 CO 0.37 -1.66 0.75 0.00 0.00 0.00 0.00 175.76 175.22 3kfd s ALA 75 N 2.73 -1.29 0.44 0.00 0.00 -1.26 -4.49 121.76 117.89 3kfd s ALA 75 Ca 0.12 -0.24 -0.24 0.00 0.00 0.00 0.00 51.96 51.60 3kfd s ALA 75 Cb -0.12 0.82 -0.08 0.00 0.00 0.00 0.00 23.12 23.74 3kfd s ALA 75 CO -0.25 -1.04 1.27 -2.14 0.00 0.00 0.00 175.76 173.60 3kfd s PRO 76 N -3.83 3.78 -0.04 0.00 0.02 -1.26 -4.99 135.00 128.67 3kfd s PRO 76 Ca 0.11 2.06 -0.01 0.00 0.02 0.00 0.00 61.00 63.19 3kfd s PRO 76 Cb -0.05 -2.58 -0.04 0.00 0.02 0.00 0.00 34.50 31.85 3kfd s PRO 76 CO 0.06 -0.62 0.02 0.00 -0.33 0.00 0.00 177.00 176.13 3kfd s VAL 79 N 6.00 2.42 1.00 0.00 -7.23 -0.90 -4.37 120.40 117.32 3kfd s VAL 79 Ca 0.40 -2.29 -0.11 0.00 -1.81 0.00 0.00 61.98 58.17 3kfd s VAL 79 Cb -0.07 -2.48 0.19 0.00 0.56 0.00 0.00 36.38 34.59 3kfd s VAL 79 CO 0.11 -0.31 1.09 -2.16 -0.31 0.00 0.00 175.10 173.52 3kfd s PRO 80 N -3.56 0.35 0.01 4.82 0.04 -1.26 -0.66 135.00 134.73 3kfd s PRO 80 Ca 0.31 1.16 0.00 0.00 0.04 0.00 0.00 61.00 62.51 3kfd s PRO 80 Cb -0.02 -1.68 0.00 0.00 0.04 0.00 0.00 34.50 32.84 3kfd s PRO 80 CO 0.16 -2.96 0.00 0.94 0.04 0.00 0.00 177.00 175.17 3kfd n GLN 81 N -4.42 0.00 -3.92 4.56 7.27 -0.41 -4.56 117.38 115.89 3kfd n GLN 81 Ca 0.08 0.00 -0.35 0.00 0.07 0.00 0.00 57.00 56.80 3kfd n GLN 81 Cb 0.53 -0.02 -0.14 0.00 2.41 0.00 0.00 30.24 33.02 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 2.78 -0.04 1.69 0.00 -1.18 -4.98 121.76 118.03 3kfd s ALA 82 Ca 0.00 -1.37 0.03 0.00 0.00 0.00 0.00 51.96 50.62 3kfd s ALA 82 Cb 0.00 -1.75 -0.03 0.00 0.00 0.00 0.00 23.12 21.34 3kfd s ALA 82 CO 0.00 -0.71 -0.10 -0.51 0.00 0.00 0.00 175.76 174.44 3kfd s LEU 83 N 1.40 2.99 0.39 0.00 1.43 -1.26 0.11 118.68 123.73 3kfd s LEU 83 Ca 0.02 -0.13 0.08 0.00 -1.03 0.00 0.00 54.13 53.07 3kfd s LEU 83 Cb -0.16 -1.66 -0.05 0.00 0.03 0.00 0.00 46.19 44.35 3kfd s LEU 83 CO -0.03 0.33 0.17 -1.61 0.23 0.00 0.00 176.35 175.44 3kfd s GLU 84 N -0.95 2.26 0.30 1.70 2.02 0.24 -4.63 118.70 119.64 3kfd s GLU 84 Ca 0.13 -1.75 -0.05 0.00 0.02 0.00 0.00 54.97 53.32 3kfd s GLU 84 Cb -0.11 -2.04 0.07 0.00 0.10 0.00 0.00 34.13 32.15 3kfd s GLU 84 CO 0.03 -0.05 0.41 -0.35 0.02 0.00 0.00 175.26 175.32 3kfd n PRO 85 N -1.21 -0.40 -3.28 0.39 -0.04 -1.26 0.74 135.00 129.94 3kfd n PRO 85 Ca -0.01 -0.64 -0.05 0.00 -0.04 0.00 0.00 63.50 62.75 3kfd n PRO 85 Cb 0.63 -0.43 -0.05 0.00 -0.04 0.00 0.00 33.50 33.62 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 -0.93 -0.03 1.53 2.96 0.10 -4.36 118.68 117.94 3kfd s LEU 86 Ca 0.23 0.14 -0.30 0.00 -0.22 0.00 0.00 54.13 53.99 3kfd s LEU 86 Cb -0.01 1.41 -0.08 0.00 0.50 0.00 0.00 46.19 48.01 3kfd s LEU 86 CO 0.16 -0.31 2.04 -0.81 -1.32 0.00 0.00 176.35 176.12 3kfd n PRO 87 N 5.38 2.64 -4.54 0.98 -0.04 -1.26 -1.16 135.00 136.99 3kfd n PRO 87 Ca -0.01 0.92 -0.25 0.00 -0.04 0.00 0.00 63.50 64.12 3kfd n PRO 87 Cb 0.50 -3.07 -0.10 0.00 -0.04 0.00 0.00 33.50 30.79 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 5.50 1.19 -0.12 0.52 -4.36 -0.43 -4.60 121.20 118.88 3kfd s ILE 88 Ca 0.92 -2.00 -0.04 0.00 -0.26 0.00 0.00 60.65 59.27 3kfd s ILE 88 Cb -0.41 -2.63 0.06 0.00 1.25 0.00 0.00 42.46 40.73 3kfd s ILE 88 CO 0.40 0.00 0.17 -0.69 0.24 0.00 0.00 174.94 175.06 3kfd s VAL 89 N -3.11 -0.26 0.10 8.37 1.01 0.03 -2.72 120.40 123.81 3kfd s VAL 89 Ca 0.29 0.18 0.05 0.00 0.00 0.00 0.00 61.98 62.50 3kfd s VAL 89 Cb 0.06 -0.42 -0.04 0.00 0.00 0.00 0.00 36.38 35.99 3kfd s VAL 89 CO 0.14 0.01 -0.13 -0.72 0.00 0.00 0.00 175.10 174.41 3kfd s TYR 90 N 2.29 1.25 -0.18 5.22 1.13 -0.64 -1.05 117.35 125.37 3kfd s TYR 90 Ca 0.04 -0.57 -0.14 0.00 -1.41 0.00 0.00 57.07 54.98 3kfd s TYR 90 Cb -0.13 -0.67 -0.04 0.00 -1.10 0.00 0.00 41.96 40.01 3kfd s TYR 90 CO -0.08 0.08 0.33 0.71 -2.51 0.00 0.00 175.55 174.08 3kfd s TYR 91 N -2.09 3.41 -0.72 -3.49 2.02 -1.26 0.35 117.35 115.57 3kfd s TYR 91 Ca 0.06 0.58 -0.01 0.00 -0.37 0.00 0.00 57.07 57.32 3kfd s TYR 91 Cb -0.05 -2.42 0.18 0.00 -0.40 0.00 0.00 41.96 39.27 3kfd s TYR 91 CO 0.02 0.11 0.55 0.08 -1.57 0.00 0.00 175.55 174.74 3kfd s VAL 92 N 0.89 3.74 0.00 0.71 1.01 -1.24 -4.92 120.40 120.59 3kfd s VAL 92 Ca 0.17 -3.46 0.00 0.00 0.00 0.00 0.00 61.98 58.69 3kfd s VAL 92 Cb -0.14 -3.41 0.00 0.00 0.00 0.00 0.00 36.38 32.84 3kfd s VAL 92 CO 0.06 -0.96 0.00 0.61 0.00 0.00 0.00 175.10 174.81 3kfd n GLY 93 N 2.88 1.36 0.01 4.51 0.00 -1.26 -3.97 105.19 108.73 3kfd n GLY 93 Ca 0.14 -0.56 -0.01 0.00 0.00 0.00 0.00 46.02 45.58 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 3.26 -2.93 1.61 1.74 -1.26 -4.97 116.66 114.12 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 -1.07 -0.05 0.00 -1.02 0.00 0.00 32.46 30.32 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 -2.08 3.30 0.05 5.56 1.02 -1.25 -5.01 119.74 121.33 3kfd s LYS 95 Ca -0.01 -0.38 -0.30 0.00 0.02 0.00 0.00 55.97 55.29 3kfd s LYS 95 Cb 0.01 -4.04 -0.09 0.00 -0.52 0.00 0.00 37.83 33.19 3kfd s LYS 95 CO 0.12 -1.36 1.89 -1.25 -0.92 0.00 0.00 175.35 173.82 3kfd s PRO 96 N 3.53 4.15 -0.23 -1.68 0.04 -1.26 -3.61 135.00 135.93 3kfd s PRO 96 Ca 0.27 2.55 -0.26 0.00 0.04 0.00 0.00 61.00 63.60 3kfd s PRO 96 Cb -0.14 -3.97 -0.00 0.00 0.04 0.00 0.00 34.50 30.43 3kfd s PRO 96 CO 0.18 -0.91 0.90 0.15 0.04 0.00 0.00 177.00 177.37 3kfd s LYS 97 N 3.89 4.21 -0.38 4.56 1.02 0.16 -4.92 119.74 128.28 3kfd s LYS 97 Ca 0.84 1.09 -0.11 0.00 0.02 0.00 0.00 55.97 57.81 3kfd s LYS 97 Cb -0.42 -3.64 0.03 0.00 -0.52 0.00 0.00 37.83 33.28 3kfd s LYS 97 CO 0.39 -0.55 0.21 0.08 -0.92 0.00 0.00 175.35 174.56 3kfd s VAL 98 N 2.93 4.54 0.29 3.17 1.01 -1.26 -1.62 120.40 129.46 3kfd s VAL 98 Ca 0.38 -0.93 -0.01 0.00 0.00 0.00 0.00 61.98 61.43 3kfd s VAL 98 Cb -0.15 -3.57 -0.02 0.00 0.00 0.00 0.00 36.38 32.64 3kfd s VAL 98 CO 0.07 -0.27 0.34 -1.83 0.00 0.00 0.00 175.10 173.41 3kfd s GLU 99 N 1.54 1.66 -0.11 2.72 -1.05 -1.10 -5.02 118.70 117.33 3kfd s GLU 99 Ca 0.02 -1.74 -0.02 0.00 -0.15 0.00 0.00 54.97 53.07 3kfd s GLU 99 Cb -0.20 0.37 -0.03 0.00 -0.44 0.00 0.00 34.13 33.83 3kfd s GLU 99 CO 0.06 -0.64 -0.01 -0.65 0.95 0.00 0.00 175.26 174.97 3kfd s GLN 100 N -3.54 3.22 -0.33 -4.83 -0.21 -1.26 -1.31 119.66 111.39 3kfd s GLN 100 Ca 0.35 -0.45 -0.19 0.00 0.02 0.00 0.00 55.36 55.09 3kfd s GLN 100 Cb 0.02 -2.83 -0.01 0.00 1.00 0.00 0.00 33.01 31.19 3kfd s GLN 100 CO 0.19 0.54 0.54 -0.51 -2.12 0.00 0.00 175.29 173.94 3kfd s LEU 101 N -0.45 4.27 0.45 2.90 1.43 -0.31 -4.86 118.68 122.11 3kfd s LEU 101 Ca 0.08 0.12 -0.22 0.00 -1.03 0.00 0.00 54.13 53.08 3kfd s LEU 101 Cb -0.12 -2.65 -0.09 0.00 0.03 0.00 0.00 46.19 43.37 3kfd s LEU 101 CO 0.02 -0.47 1.04 -0.55 0.23 0.00 0.00 176.35 176.62 3kfd s SER 102 N 1.73 6.51 -1.22 2.29 0.15 -1.26 0.01 113.70 121.91 3kfd s SER 102 Ca 0.20 1.97 -0.17 0.00 0.70 0.00 0.00 55.95 58.65 3kfd s SER 102 Cb -0.15 -2.57 0.00 0.00 -1.71 0.00 0.00 66.02 61.59 3kfd s SER 102 CO 0.13 -0.66 0.68 0.59 1.20 0.00 0.00 173.24 175.17 3kfd n ASN 103 N -0.62 -3.82 -0.04 5.45 4.13 -1.14 -4.88 115.26 114.34 3kfd n ASN 103 Ca 0.08 -1.06 -0.03 0.00 1.68 0.00 0.00 54.58 55.25 3kfd n ASN 103 Cb 0.51 -3.04 -0.08 0.00 -1.54 0.00 0.00 39.78 35.63 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 -4.37 2.07 -4.38 3.52 1.56 0.23 -4.86 117.12 110.88 3kfd n MET 104 Ca -0.15 -0.02 -0.27 0.00 -0.27 0.00 0.00 57.70 56.99 3kfd n MET 104 Cb 0.61 -1.25 -0.11 0.00 2.15 0.00 0.00 33.22 34.62 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 -2.32 2.62 -0.16 1.12 1.01 -0.48 -4.81 121.20 118.19 3kfd s ILE 105 Ca -0.05 -1.92 -0.05 0.00 0.00 0.00 0.00 60.65 58.63 3kfd s ILE 105 Cb 0.04 -2.27 -0.03 0.00 0.01 0.00 0.00 42.46 40.20 3kfd s ILE 105 CO 0.41 -0.12 0.02 0.54 0.00 0.00 0.00 174.94 175.79 3kfd s VAL 106 N -1.70 4.41 -0.21 2.92 0.11 -0.99 0.80 120.40 125.73 3kfd s VAL 106 Ca 0.22 -0.18 -0.20 0.00 -2.93 0.00 0.00 61.98 58.90 3kfd s VAL 106 Cb -0.08 -2.94 -0.19 0.00 -1.53 0.00 0.00 36.38 31.63 3kfd s VAL 106 CO 0.12 0.50 0.17 0.54 -3.33 0.00 0.00 175.10 173.09 3kfd n ARG 107 N 3.27 0.58 -4.05 1.54 5.12 0.29 -4.89 116.66 118.53 3kfd n ARG 107 Ca -0.17 0.52 -0.09 0.00 -1.93 0.00 0.00 57.85 56.18 3kfd n ARG 107 Cb 0.53 -1.72 -0.09 0.00 -1.16 0.00 0.00 32.46 30.02 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 -6.93 0.26 0.51 0.55 1.04 -1.21 -1.51 113.70 106.41 3kfd s SER 108 Ca -0.29 -1.01 0.02 0.00 0.48 0.00 0.00 55.95 55.14 3kfd s SER 108 Cb 0.07 0.32 -0.02 0.00 0.10 0.00 0.00 66.02 66.49 3kfd s SER 108 CO 0.60 -0.74 0.01 0.00 0.98 0.00 0.00 173.24 174.08 3kfd s LYS 110 N -3.88 0.68 -0.24 0.00 0.00 0.17 -4.72 119.74 111.76 3kfd s LYS 110 Ca 0.08 0.39 -0.24 0.00 0.00 0.00 0.00 55.97 56.20 3kfd s LYS 110 Cb 0.02 0.33 -0.01 0.00 0.00 0.00 0.00 37.83 38.17 3kfd s LYS 110 CO 0.04 -0.17 0.82 0.00 0.00 0.00 0.00 175.35 176.04