#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fk3 s ALA 7 N 0.00 -0.43 0.02 4.61 0.00 -1.26 -5.17 121.76 119.54 3fk3 s ALA 7 Ca 0.00 0.58 0.01 0.00 0.00 0.00 0.00 51.96 52.55 3fk3 s ALA 7 Cb 0.00 -0.35 -0.02 0.00 0.00 0.00 0.00 23.12 22.75 3fk3 s ALA 7 CO 0.00 -0.10 -0.05 1.03 0.00 0.00 0.00 175.76 176.64 3fk3 s ARG 8 N 0.35 0.38 0.07 0.00 0.52 -1.26 -5.13 118.95 113.88 3fk3 s ARG 8 Ca -0.02 -0.57 -0.28 0.00 -0.52 0.00 0.00 55.73 54.34 3fk3 s ARG 8 Cb -0.03 -0.12 -0.05 0.00 0.52 0.00 0.00 34.95 35.26 3fk3 s ARG 8 CO -0.01 0.01 0.88 0.42 0.02 0.00 0.00 175.30 176.62 3fk3 s ILE 9 N -1.15 4.65 0.15 1.52 1.01 -1.26 -5.05 121.20 121.06 3fk3 s ILE 9 Ca -0.10 1.89 0.01 0.00 0.00 0.00 0.00 60.65 62.44 3fk3 s ILE 9 Cb -0.08 -4.24 -0.04 0.00 0.01 0.00 0.00 42.46 38.11 3fk3 s ILE 9 CO -0.00 0.31 0.02 -0.75 0.00 0.00 0.00 174.94 174.52 3fk3 s LYS 10 N 0.12 0.99 0.18 2.79 2.20 -1.26 -5.12 119.74 119.65 3fk3 s LYS 10 Ca 0.44 -1.47 -0.31 0.00 -0.36 0.00 0.00 55.97 54.27 3fk3 s LYS 10 Cb -0.22 -0.05 -0.10 0.00 -1.51 0.00 0.00 37.83 35.96 3fk3 s LYS 10 CO 0.27 -0.17 1.48 0.99 -0.36 0.00 0.00 175.35 177.56 3fk3 s THR 11 N -3.81 2.80 0.23 3.43 2.01 -1.26 -4.98 115.64 114.05 3fk3 s THR 11 Ca 0.22 0.61 -0.30 0.00 0.31 0.00 0.00 61.69 62.53 3fk3 s THR 11 Cb 0.07 -3.39 -0.09 0.00 0.01 0.00 0.00 72.50 69.10 3fk3 s THR 11 CO 0.02 0.07 1.28 -0.22 -0.69 0.00 0.00 174.62 175.07 3fk3 s LEU 12 N 0.58 4.43 -0.04 4.42 2.96 -1.26 -4.96 118.68 124.81 3fk3 s LEU 12 Ca 0.65 2.42 -0.09 0.00 -0.22 0.00 0.00 54.13 56.89 3fk3 s LEU 12 Cb -0.41 -3.62 0.02 0.00 0.50 0.00 0.00 46.19 42.67 3fk3 s LEU 12 CO 0.35 -0.47 0.21 -0.94 -1.32 0.00 0.00 176.35 174.18 3fk3 s SER 13 N 0.06 -0.14 -0.04 3.68 1.04 -1.26 -1.09 113.70 115.95 3fk3 s SER 13 Ca 0.54 0.16 0.04 0.00 0.48 0.00 0.00 55.95 57.17 3fk3 s SER 13 Cb -0.36 0.35 -0.00 0.00 0.10 0.00 0.00 66.02 66.10 3fk3 s SER 13 CO 0.41 -0.25 -0.17 -0.69 0.98 0.00 0.00 173.24 173.52 3fk3 s VAL 14 N -0.66 1.40 -0.00 5.02 1.01 -0.79 -4.96 120.40 121.42 3fk3 s VAL 14 Ca -0.08 -0.71 0.01 0.00 0.00 0.00 0.00 61.98 61.20 3fk3 s VAL 14 Cb -0.04 -1.20 -0.04 0.00 0.00 0.00 0.00 36.38 35.10 3fk3 s VAL 14 CO 0.01 0.40 0.04 -0.44 0.00 0.00 0.00 175.10 175.12 3fk3 s SER 15 N -0.03 5.38 -0.14 3.32 0.01 -1.26 -0.18 113.70 120.79 3fk3 s SER 15 Ca -0.02 0.06 -0.02 0.00 1.31 0.00 0.00 55.95 57.28 3fk3 s SER 15 Cb -0.11 -1.47 0.05 0.00 0.21 0.00 0.00 66.02 64.70 3fk3 s SER 15 CO 0.02 0.28 0.02 -0.13 0.41 0.00 0.00 173.24 173.83 3fk3 s ARG 16 N -1.65 0.67 0.37 12.44 1.81 0.28 -4.97 118.95 127.90 3fk3 s ARG 16 Ca 0.21 -0.21 -0.28 0.00 -1.72 0.00 0.00 55.73 53.73 3fk3 s ARG 16 Cb -0.12 -1.66 -0.11 0.00 -0.45 0.00 0.00 34.95 32.61 3fk3 s ARG 16 CO 0.12 -0.50 1.51 -1.25 -0.68 0.00 0.00 175.30 174.50 3fk3 s PRO 17 N 1.90 4.10 -0.05 3.54 0.04 -1.26 -0.06 135.00 143.20 3fk3 s PRO 17 Ca 0.02 2.59 -0.05 0.00 0.04 0.00 0.00 61.00 63.60 3fk3 s PRO 17 Cb -0.15 -2.97 0.02 0.00 0.04 0.00 0.00 34.50 31.44 3fk3 s PRO 17 CO -0.07 -0.56 0.14 -1.50 0.04 0.00 0.00 177.00 175.05 3fk3 s ILE 18 N -0.99 -0.00 -0.12 0.56 1.10 0.01 -4.62 121.20 117.15 3fk3 s ILE 18 Ca 0.54 0.02 0.02 0.00 -0.51 0.00 0.00 60.65 60.72 3fk3 s ILE 18 Cb -0.47 -0.21 -0.00 0.00 0.15 0.00 0.00 42.46 41.93 3fk3 s ILE 18 CO 0.62 0.01 -0.20 -0.63 -2.11 0.00 0.00 174.94 172.62 3fk3 s ILE 19 N 0.18 2.38 0.08 2.00 1.01 0.22 -1.35 121.20 125.72 3fk3 s ILE 19 Ca -0.01 -0.90 -0.13 0.00 0.00 0.00 0.00 60.65 59.61 3fk3 s ILE 19 Cb -0.02 -1.95 0.02 0.00 0.01 0.00 0.00 42.46 40.52 3fk3 s ILE 19 CO -0.00 0.55 0.29 -0.72 0.00 0.00 0.00 174.94 175.05 3fk3 s TYR 20 N 0.42 -0.05 -4.37 3.97 -0.85 -0.82 0.08 117.35 115.73 3fk3 s TYR 20 Ca -0.15 -0.23 0.00 0.00 -0.52 0.00 0.00 57.07 56.17 3fk3 s TYR 20 Cb -0.17 0.09 0.00 0.00 0.38 0.00 0.00 41.96 42.26 3fk3 s TYR 20 CO 0.06 -0.57 0.00 0.41 -1.52 0.00 0.00 175.55 173.93 3fk3 n GLY 21 N 0.16 0.40 3.14 5.49 0.00 -0.99 -0.78 105.19 112.60 3fk3 n GLY 21 Ca -0.17 -1.35 -0.10 0.00 0.00 0.00 0.00 46.02 44.40 3fk3 n GLY 21 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3fk3 s ASN 22 N -4.00 0.08 0.21 1.61 4.22 -0.32 -1.43 114.94 115.31 3fk3 s ASN 22 Ca 0.00 -0.38 0.08 0.00 -2.14 0.00 0.00 52.86 50.41 3fk3 s ASN 22 Cb 0.00 0.24 -0.04 0.00 1.28 0.00 0.00 41.25 42.73 3fk3 s ASN 22 CO 0.00 -0.49 0.04 0.42 -2.04 0.00 0.00 177.10 175.04 3fk3 s THR 23 N -2.25 3.84 0.02 0.54 -4.23 -0.75 -0.78 115.64 112.02 3fk3 s THR 23 Ca -0.08 -1.52 -0.05 0.00 -1.18 0.00 0.00 61.69 58.86 3fk3 s THR 23 Cb -0.03 -2.99 -0.01 0.00 1.34 0.00 0.00 72.50 70.81 3fk3 s THR 23 CO -0.03 -0.22 0.08 0.00 -0.54 0.00 0.00 174.62 173.91 3fk3 s ALA 24 N -1.96 -0.12 -0.08 3.99 0.00 0.13 -1.33 121.76 122.39 3fk3 s ALA 24 Ca 0.30 -0.38 -0.03 0.00 0.00 0.00 0.00 51.96 51.84 3fk3 s ALA 24 Cb -0.08 0.16 0.04 0.00 0.00 0.00 0.00 23.12 23.24 3fk3 s ALA 24 CO 0.20 -0.22 0.17 0.21 0.00 0.00 0.00 175.76 176.12 3fk3 s LYS 25 N -1.74 0.10 0.00 0.00 2.20 0.12 -1.82 119.74 118.60 3fk3 s LYS 25 Ca -0.12 0.46 0.00 0.00 -0.36 0.00 0.00 55.97 55.95 3fk3 s LYS 25 Cb -0.06 -0.18 0.00 0.00 -1.51 0.00 0.00 37.83 36.07 3fk3 s LYS 25 CO -0.01 -0.20 0.00 1.17 -0.36 0.00 0.00 175.35 175.95 3fk3 n LYS 26 N 4.52 2.01 0.00 4.03 4.81 -1.26 -0.34 118.16 131.93 3fk3 n LYS 26 Ca -0.20 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.24 3fk3 n LYS 26 Cb 0.51 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.56 3fk3 n LYS 26 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3fk3 n GLY 28 N 2.71 -0.03 0.00 3.14 0.00 -1.26 -4.90 105.19 104.85 3fk3 n GLY 28 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3fk3 n GLY 28 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3fk3 n SER 29 N -1.37 0.68 -4.56 1.61 3.41 -1.26 -5.05 113.62 107.08 3fk3 n SER 29 Ca 0.00 0.00 -0.40 0.00 -0.26 0.00 0.00 58.87 58.21 3fk3 n SER 29 Cb 0.00 0.01 -0.09 0.00 -0.26 0.00 0.00 64.21 63.87 3fk3 n SER 29 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3fk3 s VAL 30 N -1.17 5.15 0.07 -3.33 1.01 -1.26 -5.08 120.40 115.79 3fk3 s VAL 30 Ca 0.00 0.20 -0.04 0.00 0.00 0.00 0.00 61.98 62.14 3fk3 s VAL 30 Cb 0.00 -3.82 -0.05 0.00 0.00 0.00 0.00 36.38 32.51 3fk3 s VAL 30 CO 0.00 -0.06 0.28 -0.54 0.00 0.00 0.00 175.10 174.78 3fk3 s LYS 31 N 2.09 3.54 0.79 2.72 1.02 -1.26 -5.09 119.74 123.54 3fk3 s LYS 31 Ca 0.13 -0.21 -0.16 0.00 0.02 0.00 0.00 55.97 55.75 3fk3 s LYS 31 Cb -0.16 -2.99 -0.07 0.00 -0.52 0.00 0.00 37.83 34.08 3fk3 s LYS 31 CO 0.12 0.58 0.06 -0.35 -0.92 0.00 0.00 175.35 174.84 3fk3 n PRO 32 N 0.50 0.07 0.38 -1.68 -0.04 -1.26 -4.95 135.00 128.03 3fk3 n PRO 32 Ca -0.06 0.05 -0.15 0.00 -0.04 0.00 0.00 63.50 63.30 3fk3 n PRO 32 Cb 0.52 -1.48 -0.07 0.00 -0.04 0.00 0.00 33.50 32.42 3fk3 n PRO 32 CO 0.00 0.00 0.00 -1.00 -0.04 0.00 0.00 175.50 174.46 3fk3 h PRO 33 N -0.67 -0.95 -0.87 0.54 0.13 -2.03 -3.09 132.00 125.06 3fk3 h PRO 33 Ca -0.44 0.06 -0.14 0.00 -0.87 0.00 0.00 66.00 64.61 3fk3 h PRO 33 Cb 1.34 0.22 -0.08 0.00 0.13 0.00 0.00 31.00 32.60 3fk3 h PRO 33 CO 0.36 -0.63 0.18 0.09 -0.23 0.00 0.00 178.00 177.77 3fk3 n ASN 34 N -4.79 3.58 -4.71 1.44 3.02 -1.26 -4.93 115.26 107.62 3fk3 n ASN 34 Ca -0.12 -2.72 -0.42 0.00 -0.03 0.00 0.00 54.58 51.29 3fk3 n ASN 34 Cb 0.39 -0.65 -0.03 0.00 -0.61 0.00 0.00 39.78 38.88 3fk3 n ASN 34 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3fk3 s ALA 35 N -1.95 3.32 0.22 5.41 0.00 -1.17 -4.99 121.76 122.60 3fk3 s ALA 35 Ca 0.32 0.70 -0.31 0.00 0.00 0.00 0.00 51.96 52.66 3fk3 s ALA 35 Cb 0.26 -3.42 -0.14 0.00 0.00 0.00 0.00 23.12 19.82 3fk3 s ALA 35 CO 0.08 -0.40 1.23 -2.30 0.00 0.00 0.00 175.76 174.36 3fk3 n PRO 36 N 4.09 1.54 -0.29 0.00 -0.02 -1.26 -4.88 135.00 134.17 3fk3 n PRO 36 Ca 0.08 0.55 0.06 0.00 -2.02 0.00 0.00 63.50 62.16 3fk3 n PRO 36 Cb 0.48 -2.08 0.27 0.00 -0.02 0.00 0.00 33.50 32.15 3fk3 n PRO 36 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3fk3 h ALA 37 N 3.41 1.57 -0.00 3.55 0.00 -1.99 -2.65 119.26 123.15 3fk3 h ALA 37 Ca -0.43 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.46 3fk3 h ALA 37 Cb 1.32 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.87 3fk3 h ALA 37 CO 0.70 0.27 -0.11 0.39 0.00 0.00 0.00 179.25 180.49 3fk3 n GLU 38 N -4.51 0.77 -2.12 0.00 -0.58 -1.26 -4.84 120.64 108.10 3fk3 n GLU 38 Ca 0.14 -0.29 -0.41 0.00 -0.42 0.00 0.00 57.16 56.18 3fk3 n GLU 38 Cb 0.25 -1.49 -0.02 0.00 -0.57 0.00 0.00 31.44 29.61 3fk3 n GLU 38 CO 0.00 0.00 0.00 -1.01 -0.48 0.00 0.00 177.13 175.64 3fk3 s HIS 39 N -2.43 3.10 -0.01 -0.32 3.76 -1.00 -4.79 115.29 113.59 3fk3 s HIS 39 Ca 0.30 1.31 0.09 0.00 -0.15 0.00 0.00 55.06 56.61 3fk3 s HIS 39 Cb 0.20 -3.68 -0.14 0.00 1.11 0.00 0.00 32.58 30.06 3fk3 s HIS 39 CO 0.47 -1.99 0.20 0.25 -0.85 0.00 0.00 174.74 172.82 3fk3 n THR 40 N 1.46 0.01 -4.20 1.30 -2.24 0.07 -4.91 114.28 105.76 3fk3 n THR 40 Ca 0.02 -0.22 -0.19 0.00 -2.27 0.00 0.00 64.05 61.40 3fk3 n THR 40 Cb 0.42 0.27 -0.12 0.00 -2.10 0.00 0.00 70.33 68.80 3fk3 n THR 40 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 3fk3 s HIS 41 N -2.64 1.35 -0.11 4.78 3.76 0.55 -4.63 115.29 118.35 3fk3 s HIS 41 Ca -0.03 -0.47 -0.03 0.00 -0.15 0.00 0.00 55.06 54.37 3fk3 s HIS 41 Cb 0.06 -0.74 -0.03 0.00 1.11 0.00 0.00 32.58 32.97 3fk3 s HIS 41 CO 0.39 0.10 0.02 -1.17 -0.85 0.00 0.00 174.74 173.23 3fk3 s LEU 42 N -1.92 3.67 0.06 0.89 2.96 0.54 -0.85 118.68 124.02 3fk3 s LEU 42 Ca 0.02 0.15 -0.05 0.00 -0.22 0.00 0.00 54.13 54.02 3fk3 s LEU 42 Cb -0.09 -1.86 -0.02 0.00 0.50 0.00 0.00 46.19 44.73 3fk3 s LEU 42 CO 0.03 0.34 0.09 -1.66 -1.32 0.00 0.00 176.35 173.83 3fk3 s TRP 43 N -0.66 0.27 -0.09 5.38 1.48 0.20 0.13 118.94 125.66 3fk3 s TRP 43 Ca 0.11 -0.69 -0.01 0.00 -1.06 0.00 0.00 56.10 54.45 3fk3 s TRP 43 Cb -0.12 -0.18 0.03 0.00 -1.16 0.00 0.00 33.47 32.04 3fk3 s TRP 43 CO 0.02 -0.43 -0.03 0.99 -4.06 0.00 0.00 176.95 173.44 3fk3 s THR 44 N -3.41 0.66 -0.12 0.66 2.01 -0.44 -0.80 115.64 114.20 3fk3 s THR 44 Ca 0.02 -0.06 -0.09 0.00 0.31 0.00 0.00 61.69 61.87 3fk3 s THR 44 Cb 0.04 -0.75 -0.04 0.00 0.01 0.00 0.00 72.50 71.75 3fk3 s THR 44 CO -0.08 0.31 0.19 -0.51 -0.69 0.00 0.00 174.62 173.84 3fk3 s ILE 45 N 1.85 5.40 0.03 1.82 1.10 -0.48 -1.81 121.20 129.11 3fk3 s ILE 45 Ca 0.05 0.34 -0.14 0.00 -0.51 0.00 0.00 60.65 60.38 3fk3 s ILE 45 Cb -0.12 -3.48 0.02 0.00 0.15 0.00 0.00 42.46 39.03 3fk3 s ILE 45 CO -0.06 0.57 0.32 0.72 -2.11 0.00 0.00 174.94 174.37 3fk3 s PHE 46 N -0.70 -0.13 -0.08 3.50 -0.12 -0.52 -0.94 117.98 118.99 3fk3 s PHE 46 Ca 0.15 0.05 0.01 0.00 -0.05 0.00 0.00 56.93 57.09 3fk3 s PHE 46 Cb -0.13 0.11 0.02 0.00 -0.63 0.00 0.00 43.02 42.39 3fk3 s PHE 46 CO 0.05 -0.49 -0.11 0.08 -0.05 0.00 0.00 175.22 174.70 3fk3 s VAL 47 N -2.35 1.11 0.26 -2.49 1.01 -0.07 -2.35 120.40 115.53 3fk3 s VAL 47 Ca -0.06 -0.42 -0.08 0.00 0.00 0.00 0.00 61.98 61.42 3fk3 s VAL 47 Cb -0.02 -1.05 -0.01 0.00 0.00 0.00 0.00 36.38 35.30 3fk3 s VAL 47 CO -0.02 0.36 0.41 0.00 0.00 0.00 0.00 175.10 175.85 3fk3 s ARG 48 N 1.06 1.57 0.39 2.72 1.70 0.11 -4.13 118.95 122.38 3fk3 s ARG 48 Ca -0.07 -1.46 0.00 0.00 -0.47 0.00 0.00 55.73 53.74 3fk3 s ARG 48 Cb -0.15 0.42 -0.02 0.00 -0.57 0.00 0.00 34.95 34.64 3fk3 s ARG 48 CO -0.01 -0.63 0.61 0.20 -1.08 0.00 0.00 175.30 174.39 3fk3 s GLY 49 N -3.10 1.45 0.40 3.88 0.00 -1.24 -0.61 107.32 108.09 3fk3 s GLY 49 Ca 0.28 -0.97 -0.27 0.00 0.00 0.00 0.00 44.72 43.76 3fk3 s GLY 49 CO 0.12 -0.85 1.47 2.56 0.00 0.00 0.00 173.10 176.40 3fk3 s PRO 50 N -4.43 3.98 -2.06 2.90 0.04 -1.26 -1.78 135.00 132.39 3fk3 s PRO 50 Ca 0.44 2.52 0.00 0.00 0.04 0.00 0.00 61.00 64.00 3fk3 s PRO 50 Cb -0.10 -2.87 0.00 0.00 0.04 0.00 0.00 34.50 31.57 3fk3 s PRO 50 CO 0.37 -0.62 0.00 1.04 0.04 0.00 0.00 177.00 177.83 3fk3 n GLN 51 N 0.26 -1.53 -2.64 4.56 3.00 -1.26 -2.42 117.38 117.36 3fk3 n GLN 51 Ca 0.02 1.15 -0.13 0.00 -0.01 0.00 0.00 57.00 58.03 3fk3 n GLN 51 Cb 0.40 -5.64 -0.00 0.00 0.00 0.00 0.00 30.24 25.00 3fk3 n GLN 51 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.06 175.35 3fk3 n ASN 52 N -1.58 -3.57 -4.77 1.08 5.15 -0.73 -4.97 115.26 105.87 3fk3 n ASN 52 Ca -0.22 0.11 -0.32 0.00 -0.60 0.00 0.00 54.58 53.54 3fk3 n ASN 52 Cb 0.69 -3.03 0.07 0.00 -0.53 0.00 0.00 39.78 36.97 3fk3 n ASN 52 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 3fk3 s GLU 53 N -5.23 2.53 0.30 1.20 2.02 -1.01 -4.85 118.70 113.66 3fk3 s GLU 53 Ca 0.08 1.32 -0.30 0.00 0.02 0.00 0.00 54.97 56.09 3fk3 s GLU 53 Cb -0.04 -1.92 -0.12 0.00 0.10 0.00 0.00 34.13 32.15 3fk3 s GLU 53 CO 0.10 -1.45 1.60 -3.47 0.02 0.00 0.00 175.26 172.06 3fk3 n ASP 54 N -2.89 3.90 -0.04 -0.19 2.03 -1.26 -3.69 116.55 114.41 3fk3 n ASP 54 Ca 0.10 1.15 0.02 0.00 0.52 0.00 0.00 54.79 56.57 3fk3 n ASP 54 Cb 0.52 -1.60 -0.01 0.00 -0.72 0.00 0.00 41.12 39.32 3fk3 n ASP 54 CO 0.00 0.00 0.00 2.30 -1.92 0.00 0.00 177.20 177.58 3fk3 n ILE 55 N 2.10 0.00 0.37 5.18 -5.35 -1.26 -4.74 119.36 115.65 3fk3 n ILE 55 Ca 0.08 -0.45 0.05 0.00 -0.27 0.00 0.00 62.75 62.16 3fk3 n ILE 55 Cb 0.37 1.02 0.23 0.00 -1.74 0.00 0.00 39.64 39.52 3fk3 n ILE 55 CO 0.00 0.00 0.00 -1.54 -1.76 0.00 0.00 176.55 173.25 3fk3 n SER 56 N -0.69 0.00 0.22 7.28 3.41 -1.26 -1.38 113.62 121.20 3fk3 n SER 56 Ca 0.01 0.47 0.09 0.00 -0.26 0.00 0.00 58.87 59.18 3fk3 n SER 56 Cb 0.06 -0.48 0.50 0.00 -0.26 0.00 0.00 64.21 64.02 3fk3 n SER 56 CO 0.00 0.00 0.00 0.10 -0.16 0.00 0.00 175.04 174.98 3fk3 h TYR 57 N 0.00 0.00 0.00 7.33 -0.00 -1.98 -3.30 116.97 119.02 3fk3 h TYR 57 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.73 3fk3 h TYR 57 Cb 0.17 0.00 0.00 0.00 0.00 0.00 0.00 36.73 36.90 3fk3 h TYR 57 CO 0.00 0.25 -0.16 1.97 -0.00 0.00 0.00 178.16 180.21 3fk3 n PHE 58 N -3.56 0.00 -3.89 0.10 1.16 -0.90 -4.88 117.46 105.49 3fk3 n PHE 58 Ca -0.01 0.00 -0.35 0.00 -1.87 0.00 0.00 57.45 55.22 3fk3 n PHE 58 Cb 0.39 0.00 -0.14 0.00 -1.61 0.00 0.00 39.48 38.12 3fk3 n PHE 58 CO 0.00 0.00 0.00 0.42 -1.87 0.00 0.00 176.76 175.31 3fk3 s ILE 59 N -1.07 3.42 -0.02 1.97 1.01 -0.48 -1.99 121.20 124.05 3fk3 s ILE 59 Ca 0.00 -0.59 -0.16 0.00 0.00 0.00 0.00 60.65 59.90 3fk3 s ILE 59 Cb 0.00 -2.62 -0.33 0.00 0.01 0.00 0.00 42.46 39.52 3fk3 s ILE 59 CO 0.00 0.33 0.86 0.50 0.00 0.00 0.00 174.94 176.63 3fk3 h LYS 60 N 8.12 0.44 -2.13 2.79 3.64 -0.86 -3.37 116.57 125.20 3fk3 h LYS 60 Ca -0.39 -0.75 -0.06 0.00 -1.27 0.00 0.00 60.65 58.19 3fk3 h LYS 60 Cb 1.15 0.28 -0.21 0.00 -0.41 0.00 0.00 32.23 33.04 3fk3 h LYS 60 CO 0.60 1.36 0.09 0.21 -2.27 0.00 0.00 179.45 179.43 3fk3 s LYS 61 N -2.55 0.84 -0.10 1.90 2.20 -0.96 -4.50 119.74 116.58 3fk3 s LYS 61 Ca -0.13 0.72 0.04 0.00 -0.36 0.00 0.00 55.97 56.24 3fk3 s LYS 61 Cb 0.04 0.41 0.00 0.00 -1.51 0.00 0.00 37.83 36.77 3fk3 s LYS 61 CO 0.89 -0.15 -0.22 0.08 -0.36 0.00 0.00 175.35 175.59 3fk3 s VAL 62 N -0.09 1.88 -0.12 4.02 1.01 -0.58 -0.25 120.40 126.27 3fk3 s VAL 62 Ca -0.03 -0.91 0.01 0.00 0.00 0.00 0.00 61.98 61.05 3fk3 s VAL 62 Cb -0.04 -1.64 -0.01 0.00 0.00 0.00 0.00 36.38 34.70 3fk3 s VAL 62 CO 0.03 0.52 -0.16 -0.69 0.00 0.00 0.00 175.10 174.81 3fk3 s VAL 63 N 0.44 2.82 -0.22 2.92 1.01 -0.02 -0.96 120.40 126.38 3fk3 s VAL 63 Ca -0.17 -0.75 -0.05 0.00 0.00 0.00 0.00 61.98 61.01 3fk3 s VAL 63 Cb -0.17 -2.16 -0.01 0.00 0.00 0.00 0.00 36.38 34.03 3fk3 s VAL 63 CO 0.07 0.53 -0.02 -0.36 0.00 0.00 0.00 175.10 175.33 3fk3 s PHE 64 N 0.32 2.98 -0.38 5.22 0.40 -0.00 -0.40 117.98 126.12 3fk3 s PHE 64 Ca -0.12 -0.80 -0.18 0.00 -0.60 0.00 0.00 56.93 55.22 3fk3 s PHE 64 Cb -0.16 -2.13 0.01 0.00 0.51 0.00 0.00 43.02 41.25 3fk3 s PHE 64 CO 0.06 -0.49 0.50 0.21 0.70 0.00 0.00 175.22 176.21 3fk3 s LYS 65 N 1.45 3.42 0.61 0.44 2.20 -0.12 -0.76 119.74 126.99 3fk3 s LYS 65 Ca 0.05 -0.38 0.00 0.00 -0.36 0.00 0.00 55.97 55.29 3fk3 s LYS 65 Cb -0.14 -3.87 0.07 0.00 -1.51 0.00 0.00 37.83 32.37 3fk3 s LYS 65 CO -0.01 -0.75 0.86 -0.51 -0.36 0.00 0.00 175.35 174.57 3fk3 s LEU 66 N 2.37 3.15 0.40 5.43 1.43 0.38 -2.49 118.68 129.35 3fk3 s LEU 66 Ca 0.17 -0.12 -0.26 0.00 -1.03 0.00 0.00 54.13 52.89 3fk3 s LEU 66 Cb -0.16 -2.56 -0.11 0.00 0.03 0.00 0.00 46.19 43.39 3fk3 s LEU 66 CO 0.14 -1.40 1.19 1.57 0.23 0.00 0.00 176.35 178.09 3fk3 n HIS 67 N -2.53 1.88 0.20 0.29 -0.00 -1.26 -4.85 115.22 108.95 3fk3 n HIS 67 Ca 0.10 0.54 0.11 0.00 -0.00 0.00 0.00 57.72 58.47 3fk3 n HIS 67 Cb 0.60 -2.34 0.56 0.00 -0.00 0.00 0.00 29.99 28.81 3fk3 n HIS 67 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 176.34 172.87 3fk3 n ASP 68 N 0.45 0.56 0.19 0.26 2.03 -1.26 -1.58 116.55 117.21 3fk3 n ASP 68 Ca 0.07 0.74 0.14 0.00 0.52 0.00 0.00 54.79 56.26 3fk3 n ASP 68 Cb 0.38 -0.82 0.64 0.00 -0.72 0.00 0.00 41.12 40.60 3fk3 n ASP 68 CO 0.00 0.00 0.00 0.71 -1.92 0.00 0.00 177.20 175.99 3fk3 h THR 69 N 0.00 0.00 -3.51 5.18 1.35 -2.02 -3.44 112.91 110.47 3fk3 h THR 69 Ca 0.00 -0.19 -0.53 0.00 -0.55 0.00 0.00 66.41 65.15 3fk3 h THR 69 Cb 0.06 0.92 -0.03 0.00 -1.73 0.00 0.00 68.15 67.37 3fk3 h THR 69 CO 0.00 0.00 0.11 -0.31 -0.25 0.00 0.00 175.52 175.07 3fk3 s TYR 70 N -3.54 3.75 0.27 4.73 1.51 -0.61 -5.05 117.35 118.40 3fk3 s TYR 70 Ca 0.01 1.46 -0.30 0.00 -1.01 0.00 0.00 57.07 57.23 3fk3 s TYR 70 Cb 0.09 -2.65 -0.10 0.00 -0.11 0.00 0.00 41.96 39.19 3fk3 s TYR 70 CO 0.36 0.42 1.38 -2.14 -1.11 0.00 0.00 175.55 174.47 3fk3 s PRO 71 N -1.61 4.31 -0.94 -1.71 0.02 -1.26 -3.71 135.00 130.10 3fk3 s PRO 71 Ca 0.39 2.25 -0.10 0.00 0.02 0.00 0.00 61.00 63.55 3fk3 s PRO 71 Cb -0.19 -3.11 0.01 0.00 0.02 0.00 0.00 34.50 31.23 3fk3 s PRO 71 CO 0.22 -0.33 0.66 0.09 -0.33 0.00 0.00 177.00 177.32 3fk3 n ASN 72 N 1.88 -5.22 0.11 2.53 3.02 -1.26 -4.82 115.26 111.49 3fk3 n ASN 72 Ca 0.04 -0.92 0.11 0.00 -0.03 0.00 0.00 54.58 53.79 3fk3 n ASN 72 Cb 0.41 -2.47 0.46 0.00 -0.61 0.00 0.00 39.78 37.57 3fk3 n ASN 72 CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83 3fk3 n PRO 73 N -3.24 0.16 -2.97 3.52 -0.04 -1.24 -4.19 135.00 126.99 3fk3 n PRO 73 Ca -0.20 0.40 -0.44 0.00 -0.04 0.00 0.00 63.50 63.22 3fk3 n PRO 73 Cb 0.62 -1.81 -0.04 0.00 -0.04 0.00 0.00 33.50 32.24 3fk3 n PRO 73 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 3fk3 s VAL 74 N -3.26 4.60 -0.40 0.52 1.01 -1.26 -0.47 120.40 121.14 3fk3 s VAL 74 Ca 0.05 -0.84 -0.15 0.00 0.00 0.00 0.00 61.98 61.04 3fk3 s VAL 74 Cb 0.09 -4.62 0.01 0.00 0.00 0.00 0.00 36.38 31.86 3fk3 s VAL 74 CO 0.37 -1.33 0.31 -0.13 0.00 0.00 0.00 175.10 174.31 3fk3 s ARG 75 N 3.24 3.07 -0.32 2.72 1.81 0.06 -4.95 118.95 124.58 3fk3 s ARG 75 Ca 0.20 -0.93 -0.16 0.00 -1.72 0.00 0.00 55.73 53.12 3fk3 s ARG 75 Cb -0.18 -3.95 -0.02 0.00 -0.45 0.00 0.00 34.95 30.36 3fk3 s ARG 75 CO 0.05 -0.71 0.39 0.45 -0.68 0.00 0.00 175.30 174.80 3fk3 s SER 76 N 1.70 6.22 -0.30 0.23 0.15 -1.26 -0.82 113.70 119.62 3fk3 s SER 76 Ca 0.06 -0.05 -0.08 0.00 0.70 0.00 0.00 55.95 56.58 3fk3 s SER 76 Cb -0.19 -2.21 0.00 0.00 -1.71 0.00 0.00 66.02 61.91 3fk3 s SER 76 CO 0.10 -0.32 0.10 -0.63 1.20 0.00 0.00 173.24 173.69 3fk3 s ILE 77 N 2.11 4.13 -1.83 6.45 1.09 -0.14 -4.98 121.20 128.03 3fk3 s ILE 77 Ca 0.14 -0.61 0.17 0.00 -1.10 0.00 0.00 60.65 59.25 3fk3 s ILE 77 Cb -0.16 -3.12 0.30 0.00 -1.06 0.00 0.00 42.46 38.42 3fk3 s ILE 77 CO 0.12 0.08 1.22 -0.62 -0.10 0.00 0.00 174.94 175.63 3fk3 n GLU 78 N 4.90 2.08 -3.70 2.79 1.02 -1.26 -1.53 120.64 124.93 3fk3 n GLU 78 Ca -0.14 -1.93 -0.14 0.00 -0.02 0.00 0.00 57.16 54.92 3fk3 n GLU 78 Cb 0.48 -1.37 -0.08 0.00 -0.02 0.00 0.00 31.44 30.45 3fk3 n GLU 78 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3fk3 s ALA 79 N -1.23 -1.03 0.60 0.62 0.00 -1.26 -4.76 121.76 114.70 3fk3 s ALA 79 Ca 0.28 0.62 -0.19 0.00 0.00 0.00 0.00 51.96 52.67 3fk3 s ALA 79 Cb 0.17 -0.01 -0.03 0.00 0.00 0.00 0.00 23.12 23.25 3fk3 s ALA 79 CO 0.23 -0.28 1.28 -1.25 0.00 0.00 0.00 175.76 175.74 3fk3 s PRO 80 N -1.17 2.88 0.28 0.00 0.04 -1.26 -4.18 135.00 131.58 3fk3 s PRO 80 Ca -0.12 2.02 -0.29 0.00 0.04 0.00 0.00 61.00 62.65 3fk3 s PRO 80 Cb -0.04 -2.00 -0.10 0.00 0.04 0.00 0.00 34.50 32.41 3fk3 s PRO 80 CO 0.05 -1.33 1.21 -1.25 0.04 0.00 0.00 177.00 175.73 3fk3 s PRO 81 N -3.22 4.49 -1.32 0.56 0.04 -1.26 -5.07 135.00 129.22 3fk3 s PRO 81 Ca 0.78 1.99 -0.14 0.00 0.04 0.00 0.00 61.00 63.66 3fk3 s PRO 81 Cb -0.36 -3.15 0.10 0.00 0.04 0.00 0.00 34.50 31.13 3fk3 s PRO 81 CO 0.39 -0.03 1.85 1.19 0.04 0.00 0.00 177.00 180.44 3fk3 n PHE 82 N 1.40 4.09 -4.06 0.56 3.01 -1.26 -4.87 117.46 116.32 3fk3 n PHE 82 Ca 0.01 -2.97 -0.10 0.00 1.01 0.00 0.00 57.45 55.39 3fk3 n PHE 82 Cb 0.43 -2.40 -0.07 0.00 -0.01 0.00 0.00 39.48 37.43 3fk3 n PHE 82 CO 0.00 0.00 0.00 -1.83 1.01 0.00 0.00 176.76 175.94 3fk3 s GLU 83 N 2.69 1.36 -0.19 -1.08 -1.05 -1.26 -0.89 118.70 118.27 3fk3 s GLU 83 Ca 0.47 -1.36 -0.08 0.00 -0.15 0.00 0.00 54.97 53.85 3fk3 s GLU 83 Cb 0.07 0.39 0.08 0.00 -0.44 0.00 0.00 34.13 34.22 3fk3 s GLU 83 CO 0.00 -0.52 0.42 -1.17 0.95 0.00 0.00 175.26 174.95 3fk3 s LEU 84 N -3.06 -0.49 -0.17 1.83 2.96 -0.11 -4.97 118.68 114.67 3fk3 s LEU 84 Ca 0.27 0.98 -0.07 0.00 -0.22 0.00 0.00 54.13 55.09 3fk3 s LEU 84 Cb 0.03 1.38 -0.04 0.00 0.50 0.00 0.00 46.19 48.06 3fk3 s LEU 84 CO 0.08 -0.22 0.06 -0.89 -1.32 0.00 0.00 176.35 174.06 3fk3 s THR 85 N 2.22 4.78 0.20 3.68 2.01 -1.26 -1.38 115.64 125.90 3fk3 s THR 85 Ca -0.04 -0.04 -0.10 0.00 0.31 0.00 0.00 61.69 61.82 3fk3 s THR 85 Cb -0.11 -3.14 -0.01 0.00 0.01 0.00 0.00 72.50 69.26 3fk3 s THR 85 CO -0.13 0.49 0.36 -0.70 -0.69 0.00 0.00 174.62 173.94 3fk3 s GLU 86 N 0.16 1.33 0.16 4.92 2.56 0.02 -5.00 118.70 122.85 3fk3 s GLU 86 Ca 0.05 -1.25 0.03 0.00 0.00 0.00 0.00 54.97 53.79 3fk3 s GLU 86 Cb -0.12 0.41 -0.04 0.00 2.00 0.00 0.00 34.13 36.38 3fk3 s GLU 86 CO 0.01 -0.52 0.27 0.99 -0.56 0.00 0.00 175.26 175.45 3fk3 s THR 87 N -4.01 5.21 0.11 -1.70 2.01 -1.26 -0.63 115.64 115.37 3fk3 s THR 87 Ca 0.22 -0.75 -0.25 0.00 0.31 0.00 0.00 61.69 61.21 3fk3 s THR 87 Cb 0.02 -3.69 0.08 0.00 0.01 0.00 0.00 72.50 68.93 3fk3 s THR 87 CO 0.05 -0.11 1.11 -0.83 -0.69 0.00 0.00 174.62 174.15 3fk3 s GLY 88 N -3.25 -0.10 0.00 4.40 0.00 -0.03 -4.94 107.32 103.39 3fk3 s GLY 88 Ca 0.34 0.02 0.00 0.00 0.00 0.00 0.00 44.72 45.08 3fk3 s GLY 88 CO 0.28 1.94 0.19 -2.67 0.00 0.00 0.00 173.10 172.84 3fk3 n TRP 89 N -0.64 0.00 -3.87 1.90 4.27 -1.26 -0.33 117.44 117.50 3fk3 n TRP 89 Ca -0.04 -0.01 -0.10 0.00 -3.89 0.00 0.00 57.50 53.47 3fk3 n TRP 89 Cb 0.60 -0.00 -0.08 0.00 -1.36 0.00 0.00 31.31 30.47 3fk3 n TRP 89 CO 0.00 0.00 0.00 0.20 -2.29 0.00 0.00 177.69 175.60 3fk3 s GLY 90 N -0.01 0.09 -0.02 -1.67 0.00 -1.26 -4.89 107.32 99.56 3fk3 s GLY 90 Ca 0.00 -0.45 -0.18 0.00 0.00 0.00 0.00 44.72 44.08 3fk3 s GLY 90 CO 0.00 -0.62 0.52 -0.54 0.00 0.00 0.00 173.10 172.46 3fk3 s GLU 91 N -2.94 4.21 0.22 2.90 2.02 -1.26 -4.96 118.70 118.88 3fk3 s GLU 91 Ca -0.02 0.59 -0.17 0.00 0.02 0.00 0.00 54.97 55.39 3fk3 s GLU 91 Cb 0.01 -3.32 0.02 0.00 0.10 0.00 0.00 34.13 30.94 3fk3 s GLU 91 CO -0.06 0.44 0.53 -0.59 0.02 0.00 0.00 175.26 175.60 3fk3 s PHE 92 N -0.35 0.00 0.23 1.61 -0.12 -1.25 -4.99 117.98 113.11 3fk3 s PHE 92 Ca 0.28 -0.37 -0.30 0.00 -0.05 0.00 0.00 56.93 56.49 3fk3 s PHE 92 Cb -0.17 0.37 -0.09 0.00 -0.63 0.00 0.00 43.02 42.51 3fk3 s PHE 92 CO 0.15 -0.97 1.00 -0.51 -0.05 0.00 0.00 175.22 174.83 3fk3 s ASP 93 N -2.92 7.50 -0.12 1.98 1.01 -1.26 -1.26 116.67 121.60 3fk3 s ASP 93 Ca 0.13 2.03 0.03 0.00 0.71 0.00 0.00 52.55 55.44 3fk3 s ASP 93 Cb -0.01 -2.61 -0.00 0.00 1.01 0.00 0.00 42.92 41.30 3fk3 s ASP 93 CO 0.01 0.02 -0.21 -0.63 0.21 0.00 0.00 175.17 174.57 3fk3 s ILE 94 N -0.95 2.24 -0.36 0.77 1.01 -0.00 -4.42 121.20 119.49 3fk3 s ILE 94 Ca 0.43 -0.94 -0.24 0.00 0.00 0.00 0.00 60.65 59.90 3fk3 s ILE 94 Cb -0.28 -1.88 0.01 0.00 0.01 0.00 0.00 42.46 40.32 3fk3 s ILE 94 CO 0.34 0.55 0.83 0.21 0.00 0.00 0.00 174.94 176.87 3fk3 s ASN 95 N 0.47 6.60 -0.31 3.58 2.47 -1.04 -1.21 114.94 125.51 3fk3 s ASN 95 Ca -0.14 0.45 -0.13 0.00 0.42 0.00 0.00 52.86 53.45 3fk3 s ASN 95 Cb -0.17 -2.42 -0.03 0.00 -1.45 0.00 0.00 41.25 37.18 3fk3 s ASN 95 CO 0.06 -0.77 0.29 -0.63 -3.72 0.00 0.00 177.10 172.33 3fk3 s ILE 96 N 3.21 5.23 -0.31 -5.21 1.01 0.93 -0.95 121.20 125.12 3fk3 s ILE 96 Ca 0.34 0.13 -0.08 0.00 0.00 0.00 0.00 60.65 61.03 3fk3 s ILE 96 Cb -0.13 -3.70 0.01 0.00 0.01 0.00 0.00 42.46 38.65 3fk3 s ILE 96 CO 0.17 0.07 0.11 -0.54 0.00 0.00 0.00 174.94 174.75 3fk3 s LYS 97 N 1.90 3.12 -0.25 2.79 1.02 0.46 -1.35 119.74 127.43 3fk3 s LYS 97 Ca 0.10 -0.85 -0.14 0.00 0.02 0.00 0.00 55.97 55.10 3fk3 s LYS 97 Cb -0.16 -3.47 -0.04 0.00 -0.52 0.00 0.00 37.83 33.64 3fk3 s LYS 97 CO 0.11 -0.47 0.33 0.08 -0.92 0.00 0.00 175.35 174.48 3fk3 s VAL 98 N 1.53 5.22 -0.27 3.17 1.01 0.53 -0.84 120.40 130.75 3fk3 s VAL 98 Ca 0.03 0.51 -0.09 0.00 0.00 0.00 0.00 61.98 62.42 3fk3 s VAL 98 Cb -0.17 -3.66 -0.04 0.00 0.00 0.00 0.00 36.38 32.51 3fk3 s VAL 98 CO 0.04 0.21 0.13 -0.31 0.00 0.00 0.00 175.10 175.17 3fk3 s TYR 99 N 1.76 3.15 0.54 5.22 1.51 0.66 -0.52 117.35 129.66 3fk3 s TYR 99 Ca 0.14 -0.20 -0.08 0.00 -1.01 0.00 0.00 57.07 55.91 3fk3 s TYR 99 Cb -0.15 -2.31 -0.04 0.00 -0.11 0.00 0.00 41.96 39.35 3fk3 s TYR 99 CO 0.09 -0.28 0.90 -0.06 -1.11 0.00 0.00 175.55 175.09 3fk3 s PHE 100 N 1.68 3.59 0.53 2.71 0.40 -1.26 -0.28 117.98 125.34 3fk3 s PHE 100 Ca 0.07 1.06 -0.21 0.00 -0.60 0.00 0.00 56.93 57.24 3fk3 s PHE 100 Cb -0.16 -2.51 -0.07 0.00 0.51 0.00 0.00 43.02 40.79 3fk3 s PHE 100 CO 0.07 -0.46 1.08 1.33 0.70 0.00 0.00 175.22 177.94 3fk3 n VAL 101 N -2.41 3.30 -0.30 -0.44 0.24 -0.84 -4.43 118.33 113.45 3fk3 n VAL 101 Ca 0.03 -0.50 0.03 0.00 -2.04 0.00 0.00 64.34 61.87 3fk3 n VAL 101 Cb 0.55 -1.29 0.11 0.00 -1.47 0.00 0.00 33.84 31.73 3fk3 n VAL 101 CO 0.00 0.00 0.00 -0.33 -2.14 0.00 0.00 176.83 174.36 3fk3 h GLU 102 N 1.08 0.00 0.00 7.34 5.08 -1.96 -1.27 114.58 124.85 3fk3 h GLU 102 Ca -0.48 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.88 3fk3 h GLU 102 Cb 1.34 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.59 3fk3 h GLU 102 CO 0.54 0.00 0.00 -0.85 -1.00 0.00 0.00 179.01 177.70 3fk3 n GLU 103 N -5.55 0.04 0.21 2.33 0.00 -1.26 -2.10 120.64 114.31 3fk3 n GLU 103 Ca 0.13 0.40 0.07 0.00 0.00 0.00 0.00 57.16 57.75 3fk3 n GLU 103 Cb 0.43 -1.59 0.45 0.00 0.00 0.00 0.00 31.44 30.73 3fk3 n GLU 103 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 3fk3 h ALA 104 N 2.24 1.18 -6.40 -1.84 0.00 -1.57 -3.37 119.26 109.50 3fk3 h ALA 104 Ca 0.00 -0.28 -0.48 0.00 0.00 0.00 0.00 54.91 54.15 3fk3 h ALA 104 Cb 0.15 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 17.84 3fk3 h ALA 104 CO 0.00 0.38 -0.84 0.09 0.00 0.00 0.00 179.25 178.88 3fk3 n ASN 105 N -3.71 -1.80 -4.65 0.00 3.02 -0.89 -4.73 115.26 102.50 3fk3 n ASN 105 Ca -0.01 -0.92 -0.29 0.00 -0.03 0.00 0.00 54.58 53.33 3fk3 n ASN 105 Cb 0.41 -3.41 -0.08 0.00 -0.61 0.00 0.00 39.78 36.08 3fk3 n ASN 105 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 3fk3 s GLU 106 N -6.48 2.37 0.71 3.52 0.41 -1.26 -5.12 118.70 112.85 3fk3 s GLU 106 Ca 0.24 -1.00 -0.11 0.00 -0.41 0.00 0.00 54.97 53.68 3fk3 s GLU 106 Cb -0.12 -2.40 0.02 0.00 -1.78 0.00 0.00 34.13 29.85 3fk3 s GLU 106 CO 0.86 0.50 1.07 0.15 -0.49 0.00 0.00 175.26 177.35 3fk3 s LYS 107 N -2.54 2.79 0.21 1.61 1.02 -1.26 -4.87 119.74 116.70 3fk3 s LYS 107 Ca 0.25 0.81 -0.32 0.00 0.02 0.00 0.00 55.97 56.72 3fk3 s LYS 107 Cb -0.11 -1.98 -0.13 0.00 -0.52 0.00 0.00 37.83 35.09 3fk3 s LYS 107 CO 0.17 -1.16 1.55 0.28 -0.92 0.00 0.00 175.35 175.27 3fk3 n VAL 108 N -3.15 0.41 -2.81 3.17 0.31 -1.26 -4.79 118.33 110.21 3fk3 n VAL 108 Ca 0.07 -0.10 -0.43 0.00 -0.01 0.00 0.00 64.34 63.87 3fk3 n VAL 108 Cb 0.55 -1.64 -0.04 0.00 -0.91 0.00 0.00 33.84 31.79 3fk3 n VAL 108 CO 0.00 0.00 0.00 -0.22 -1.32 0.00 0.00 176.83 175.29 3fk3 s LEU 109 N 0.52 4.00 -0.03 7.52 2.96 0.32 -4.92 118.68 129.05 3fk3 s LEU 109 Ca 0.73 0.05 -0.13 0.00 -0.22 0.00 0.00 54.13 54.56 3fk3 s LEU 109 Cb -0.62 -3.14 -0.05 0.00 0.50 0.00 0.00 46.19 42.87 3fk3 s LEU 109 CO 0.42 -1.10 0.35 0.20 -1.32 0.00 0.00 176.35 174.90 3fk3 s ASN 110 N 2.38 6.71 0.24 3.68 -0.87 -1.26 -0.34 114.94 125.48 3fk3 s ASN 110 Ca 0.36 0.85 -0.22 0.00 -1.57 0.00 0.00 52.86 52.28 3fk3 s ASN 110 Cb -0.10 -2.21 0.05 0.00 -0.02 0.00 0.00 41.25 38.96 3fk3 s ASN 110 CO 0.25 0.33 0.85 0.72 -2.57 0.00 0.00 177.10 176.69 3fk3 s PHE 111 N -1.00 -0.09 0.08 2.20 -0.12 -0.46 -5.01 117.98 113.59 3fk3 s PHE 111 Ca 0.22 -0.35 0.08 0.00 -0.05 0.00 0.00 56.93 56.83 3fk3 s PHE 111 Cb -0.16 0.71 -0.03 0.00 -0.63 0.00 0.00 43.02 42.91 3fk3 s PHE 111 CO 0.11 -1.11 -0.22 1.52 -0.05 0.00 0.00 175.22 175.47 3fk3 s TYR 112 N -3.23 1.88 -0.08 3.49 1.13 -1.26 -0.05 117.35 119.23 3fk3 s TYR 112 Ca 0.13 -0.40 -0.03 0.00 -1.41 0.00 0.00 57.07 55.36 3fk3 s TYR 112 Cb -0.04 -1.06 0.04 0.00 -1.10 0.00 0.00 41.96 39.80 3fk3 s TYR 112 CO 0.06 0.18 0.16 -1.58 -2.51 0.00 0.00 175.55 171.86 3fk3 s HIS 113 N -1.01 -0.19 -0.32 -3.49 2.46 -0.35 -4.94 115.29 107.46 3fk3 s HIS 113 Ca 0.08 0.58 -0.29 0.00 0.47 0.00 0.00 55.06 55.90 3fk3 s HIS 113 Cb -0.10 -0.15 0.02 0.00 -0.13 0.00 0.00 32.58 32.22 3fk3 s HIS 113 CO 0.03 -0.23 1.06 0.50 -2.47 0.00 0.00 174.74 173.64 3fk3 s ARG 114 N 1.75 4.06 -0.04 2.88 6.06 -1.26 -0.82 118.95 131.57 3fk3 s ARG 114 Ca -0.03 1.04 -0.30 0.00 -2.50 0.00 0.00 55.73 53.94 3fk3 s ARG 114 Cb -0.12 -3.74 -0.05 0.00 0.06 0.00 0.00 34.95 31.10 3fk3 s ARG 114 CO -0.06 -0.89 1.51 -1.17 -2.50 0.00 0.00 175.30 172.18 3fk3 s LEU 115 N 3.62 4.30 -0.20 -0.88 2.96 -0.39 -4.95 118.68 123.15 3fk3 s LEU 115 Ca 0.45 2.14 -0.07 0.00 -0.22 0.00 0.00 54.13 56.43 3fk3 s LEU 115 Cb -0.12 -3.55 -0.03 0.00 0.50 0.00 0.00 46.19 42.99 3fk3 s LEU 115 CO 0.15 -0.83 0.05 -0.13 -1.32 0.00 0.00 176.35 174.27 3fk3 s ARG 116 N 3.23 3.83 -0.10 1.98 1.81 -1.26 -3.91 118.95 124.53 3fk3 s ARG 116 Ca 0.67 -0.41 0.02 0.00 -1.72 0.00 0.00 55.73 54.29 3fk3 s ARG 116 Cb -0.32 -3.19 -0.07 0.00 -0.45 0.00 0.00 34.95 30.92 3fk3 s ARG 116 CO 0.27 0.14 -0.07 1.28 -0.68 0.00 0.00 175.30 176.24 3fk3 n LEU 117 N 3.92 2.34 -4.90 2.53 4.77 -1.26 -4.51 117.00 119.88 3fk3 n LEU 117 Ca -0.17 -0.04 -0.33 0.00 -0.03 0.00 0.00 56.01 55.44 3fk3 n LEU 117 Cb 0.52 -0.24 -0.05 0.00 -2.33 0.00 0.00 43.42 41.32 3fk3 n LEU 117 CO 0.34 0.57 -0.11 -1.00 -1.33 0.00 0.00 177.39 175.86 3fk3 s HIS 118 N -2.21 3.55 0.39 -1.77 3.76 -1.26 -4.74 115.29 113.02 3fk3 s HIS 118 Ca -0.12 0.43 -0.25 0.00 -0.15 0.00 0.00 55.06 54.97 3fk3 s HIS 118 Cb 0.03 -1.89 -0.11 0.00 1.11 0.00 0.00 32.58 31.73 3fk3 s HIS 118 CO 0.26 0.61 1.06 -2.30 -0.85 0.00 0.00 174.74 173.53 3fk3 n PRO 119 N 0.85 1.49 -0.67 8.40 -0.02 -1.26 -5.02 135.00 138.78 3fk3 n PRO 119 Ca -0.10 0.53 -0.24 0.00 -2.02 0.00 0.00 63.50 61.67 3fk3 n PRO 119 Cb 0.52 -2.08 -0.02 0.00 -0.02 0.00 0.00 33.50 31.90 3fk3 n PRO 119 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 3fk3 n GLU 144 N 0.26 0.00 -4.19 -0.52 2.13 -1.26 -5.10 120.64 111.95 3fk3 n GLU 144 Ca 0.09 0.00 -0.33 0.00 0.66 0.00 0.00 57.16 57.58 3fk3 n GLU 144 Cb 0.38 -0.55 -0.08 0.00 0.27 0.00 0.00 31.44 31.46 3fk3 n GLU 144 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 3fk3 s VAL 145 N -0.29 4.48 -0.00 6.31 1.01 -0.75 -4.97 120.40 126.19 3fk3 s VAL 145 Ca 0.34 -0.46 -0.04 0.00 0.00 0.00 0.00 61.98 61.82 3fk3 s VAL 145 Cb -0.49 -3.01 -0.00 0.00 0.00 0.00 0.00 36.38 32.87 3fk3 s VAL 145 CO 0.26 0.39 0.08 -0.94 0.00 0.00 0.00 175.10 174.89 3fk3 s SER 146 N -1.58 0.04 -0.27 3.32 1.04 -1.26 0.17 113.70 115.17 3fk3 s SER 146 Ca 0.21 -0.16 -0.01 0.00 0.48 0.00 0.00 55.95 56.46 3fk3 s SER 146 Cb -0.12 0.18 0.08 0.00 0.10 0.00 0.00 66.02 66.27 3fk3 s SER 146 CO 0.11 -0.25 0.07 -0.55 0.98 0.00 0.00 173.24 173.60 3fk3 s SER 147 N -0.98 3.68 0.00 7.02 0.15 0.04 -5.01 113.70 118.60 3fk3 s SER 147 Ca -0.11 -1.35 0.03 0.00 0.70 0.00 0.00 55.95 55.22 3fk3 s SER 147 Cb -0.06 -0.80 -0.01 0.00 -1.71 0.00 0.00 66.02 63.44 3fk3 s SER 147 CO 0.00 -0.37 -0.08 -0.69 1.20 0.00 0.00 173.24 173.30 3fk3 s VAL 148 N 1.68 0.64 -0.05 4.45 1.01 -1.26 -1.17 120.40 125.70 3fk3 s VAL 148 Ca 0.05 -0.45 0.05 0.00 0.00 0.00 0.00 61.98 61.63 3fk3 s VAL 148 Cb -0.17 -0.56 -0.01 0.00 0.00 0.00 0.00 36.38 35.64 3fk3 s VAL 148 CO -0.19 0.11 -0.20 -0.31 0.00 0.00 0.00 175.10 174.51 3fk3 s TYR 149 N -0.34 1.97 -0.53 5.22 1.51 0.04 -5.00 117.35 120.22 3fk3 s TYR 149 Ca 0.02 -0.56 0.01 0.00 -1.01 0.00 0.00 57.07 55.52 3fk3 s TYR 149 Cb -0.04 -1.31 0.14 0.00 -0.11 0.00 0.00 41.96 40.64 3fk3 s TYR 149 CO -0.00 -0.18 0.30 0.12 -1.11 0.00 0.00 175.55 174.68 3fk3 s PHE 150 N -0.05 3.38 0.00 2.71 5.36 -1.26 -1.95 117.98 126.17 3fk3 s PHE 150 Ca -0.03 -2.90 0.00 0.00 -0.96 0.00 0.00 56.93 53.04 3fk3 s PHE 150 Cb -0.12 -3.02 0.00 0.00 -0.34 0.00 0.00 43.02 39.54 3fk3 s PHE 150 CO 0.03 -0.83 0.00 -0.25 -1.46 0.00 0.00 175.22 172.71 3fk3 n ASP 151 N 3.55 1.71 -3.92 6.13 8.00 -0.46 -4.94 116.55 126.63 3fk3 n ASP 151 Ca 0.05 -0.36 -0.22 0.00 0.71 0.00 0.00 54.79 54.98 3fk3 n ASP 151 Cb 0.36 0.00 -0.16 0.00 -0.02 0.00 0.00 41.12 41.30 3fk3 n ASP 151 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 3fk3 s GLU 152 N 0.11 1.06 -0.39 -1.24 2.12 -1.26 -0.81 118.70 118.29 3fk3 s GLU 152 Ca 0.00 -0.17 -0.18 0.00 0.36 0.00 0.00 54.97 54.97 3fk3 s GLU 152 Cb 0.00 -1.02 0.01 0.00 0.26 0.00 0.00 34.13 33.38 3fk3 s GLU 152 CO 0.00 -0.08 0.51 0.42 -0.54 0.00 0.00 175.26 175.57 3fk3 s ILE 153 N 0.96 5.00 -0.29 -3.70 1.01 0.91 -4.92 121.20 120.17 3fk3 s ILE 153 Ca -0.10 0.06 -0.15 0.00 0.00 0.00 0.00 60.65 60.46 3fk3 s ILE 153 Cb -0.14 -4.04 -0.03 0.00 0.01 0.00 0.00 42.46 38.26 3fk3 s ILE 153 CO 0.00 -0.36 0.37 -0.69 0.00 0.00 0.00 174.94 174.26 3fk3 s VAL 154 N 2.40 5.17 -0.37 2.92 1.01 -1.26 -0.56 120.40 129.71 3fk3 s VAL 154 Ca 0.17 0.41 -0.19 0.00 0.00 0.00 0.00 61.98 62.38 3fk3 s VAL 154 Cb -0.16 -3.74 0.00 0.00 0.00 0.00 0.00 36.38 32.49 3fk3 s VAL 154 CO 0.15 0.08 0.55 -0.36 0.00 0.00 0.00 175.10 175.52 3fk3 s PHE 155 N 2.07 3.15 0.07 5.22 0.40 0.74 -4.95 117.98 124.69 3fk3 s PHE 155 Ca 0.14 0.13 -0.28 0.00 -0.60 0.00 0.00 56.93 56.32 3fk3 s PHE 155 Cb -0.16 -3.04 -0.05 0.00 0.51 0.00 0.00 43.02 40.28 3fk3 s PHE 155 CO 0.11 -0.62 0.88 1.21 0.70 0.00 0.00 175.22 177.50 3fk3 s ASN 156 N 1.81 7.37 -1.29 1.36 2.47 -1.26 -1.88 114.94 123.52 3fk3 s ASN 156 Ca 0.20 1.64 -0.07 0.00 0.42 0.00 0.00 52.86 55.05 3fk3 s ASN 156 Cb -0.15 -2.54 -0.00 0.00 -1.45 0.00 0.00 41.25 37.11 3fk3 s ASN 156 CO 0.15 -0.05 0.61 -0.62 -3.72 0.00 0.00 177.10 173.46 3fk3 n GLU 157 N 2.91 -3.01 -2.14 0.43 1.02 -0.25 -4.92 120.64 114.66 3fk3 n GLU 157 Ca 0.01 0.48 -0.38 0.00 -0.02 0.00 0.00 57.16 57.24 3fk3 n GLU 157 Cb 0.50 -4.57 -0.00 0.00 -0.02 0.00 0.00 31.44 27.34 3fk3 n GLU 157 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 3fk3 s PRO 158 N -6.20 3.80 0.80 3.49 0.04 -1.26 -5.01 135.00 130.65 3fk3 s PRO 158 Ca 0.16 1.96 -0.12 0.00 0.04 0.00 0.00 61.00 63.04 3fk3 s PRO 158 Cb -0.05 -2.55 0.07 0.00 0.04 0.00 0.00 34.50 32.01 3fk3 s PRO 158 CO 0.86 -0.57 1.10 0.54 0.04 0.00 0.00 177.00 178.97 3fk3 s ASN 159 N -1.08 4.49 0.20 6.66 2.20 -1.26 -4.78 114.94 121.37 3fk3 s ASN 159 Ca 0.61 1.26 -0.10 0.00 -0.94 0.00 0.00 52.86 53.69 3fk3 s ASN 159 Cb -0.33 -1.99 0.18 0.00 -2.00 0.00 0.00 41.25 37.11 3fk3 s ASN 159 CO 0.41 -1.97 1.84 -0.08 -2.94 0.00 0.00 177.10 174.36 3fk3 h GLU 160 N -1.09 0.78 -0.09 3.55 4.81 -1.95 0.94 114.58 121.53 3fk3 h GLU 160 Ca -0.47 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 58.71 3fk3 h GLU 160 Cb 1.27 -0.18 -0.00 0.00 0.63 0.00 0.00 28.75 30.47 3fk3 h GLU 160 CO 0.60 0.52 0.06 0.93 -0.73 0.00 0.00 179.01 180.38 3fk3 h GLU 161 N 0.80 0.12 -0.22 1.92 5.08 -1.93 -2.40 114.58 117.95 3fk3 h GLU 161 Ca 0.27 -0.01 -0.12 0.00 -1.00 0.00 0.00 59.36 58.51 3fk3 h GLU 161 Cb 0.04 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.25 3fk3 h GLU 161 CO -0.11 0.08 -0.36 0.35 -1.00 0.00 0.00 179.01 177.96 3fk3 h PHE 162 N 0.12 0.55 -0.75 4.33 3.57 -1.63 -2.78 116.94 120.35 3fk3 h PHE 162 Ca 0.03 -0.15 0.04 0.00 3.53 0.00 0.00 57.97 61.43 3fk3 h PHE 162 Cb -0.01 -0.12 -0.05 0.00 2.79 0.00 0.00 35.95 38.56 3fk3 h PHE 162 CO -0.07 0.77 0.47 0.35 -2.23 0.00 0.00 178.31 177.60 3fk3 h PHE 163 N 0.40 0.88 -0.19 0.41 3.57 -0.73 0.23 116.94 121.50 3fk3 h PHE 163 Ca 0.04 0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.59 3fk3 h PHE 163 Cb 0.82 -0.29 -0.02 0.00 2.79 0.00 0.00 35.95 39.25 3fk3 h PHE 163 CO 0.03 0.49 0.05 -0.22 -2.23 0.00 0.00 178.31 176.42 3fk3 h LYS 164 N 0.91 0.12 -0.42 1.11 3.64 -1.16 -2.78 116.57 117.99 3fk3 h LYS 164 Ca 0.31 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.68 3fk3 h LYS 164 Cb 0.05 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 31.83 3fk3 h LYS 164 CO -0.13 0.08 0.27 0.82 -2.27 0.00 0.00 179.45 178.23 3fk3 h ILE 165 N 0.13 1.12 0.00 2.00 2.04 -1.29 -0.56 117.51 120.95 3fk3 h ILE 165 Ca 0.09 -0.24 0.00 0.00 1.00 0.00 0.00 64.86 65.70 3fk3 h ILE 165 Cb 0.07 0.52 0.00 0.00 -0.74 0.00 0.00 36.82 36.68 3fk3 h ILE 165 CO -0.11 0.12 0.00 0.18 0.00 0.00 0.00 178.15 178.34 3fk3 n LEU 166 N -4.78 0.00 0.00 1.44 4.32 0.04 -4.38 117.00 113.65 3fk3 n LEU 166 Ca 0.01 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 56.00 3fk3 n LEU 166 Cb 0.03 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 41.83 3fk3 n LEU 166 CO 0.35 0.00 0.00 -1.54 -1.22 0.00 0.00 177.39 174.98 3fk3 n SER 168 N 0.51 0.00 0.00 -1.43 3.41 -0.22 -5.09 113.62 110.80 3fk3 n SER 168 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 3fk3 n SER 168 Cb 0.00 -0.72 0.00 0.00 -0.26 0.00 0.00 64.21 63.23 3fk3 n SER 168 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42