#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 -0.13 0.02 4.61 0.00 -1.26 -5.16 121.76 119.84 3fk3 s ALA 7 Ca 0.00 0.21 0.00 0.00 0.00 0.00 0.00 51.96 52.17 3fk3 s ALA 7 Cb 0.00 -0.13 -0.02 0.00 0.00 0.00 0.00 23.12 22.97 3fk3 s ALA 7 CO 0.00 -0.04 -0.03 1.03 0.00 0.00 0.00 175.76 176.72 3fk3 s ARG 8 N 0.20 0.29 0.09 0.00 0.52 -1.26 -5.14 118.95 113.65 3fk3 s ARG 8 Ca -0.01 -0.57 -0.28 0.00 -0.52 0.00 0.00 55.73 54.35 3fk3 s ARG 8 Cb -0.02 0.10 -0.06 0.00 0.52 0.00 0.00 34.95 35.49 3fk3 s ARG 8 CO -0.01 -0.04 0.89 0.42 0.02 0.00 0.00 175.30 176.58 3fk3 s ILE 9 N -1.35 4.57 0.05 1.52 -1.09 -1.26 -5.06 121.20 118.58 3fk3 s ILE 9 Ca -0.15 1.92 -0.01 0.00 -2.23 0.00 0.00 60.65 60.19 3fk3 s ILE 9 Cb -0.09 -4.25 -0.04 0.00 -1.58 0.00 0.00 42.46 36.49 3fk3 s ILE 9 CO -0.01 0.34 -0.03 -0.75 -1.23 0.00 0.00 174.94 173.26 3fk3 s LYS 10 N -0.05 0.62 0.27 2.79 2.20 -1.26 -5.13 119.74 119.17 3fk3 s LYS 10 Ca 0.44 -1.23 -0.30 0.00 -0.36 0.00 0.00 55.97 54.53 3fk3 s LYS 10 Cb -0.22 0.20 -0.10 0.00 -1.51 0.00 0.00 37.83 36.19 3fk3 s LYS 10 CO 0.28 -0.11 1.47 0.99 -0.36 0.00 0.00 175.35 177.62 3fk3 s THR 11 N -3.91 2.49 0.24 3.43 2.01 -1.26 -4.98 115.64 113.67 3fk3 s THR 11 Ca 0.07 0.42 -0.30 0.00 0.31 0.00 0.00 61.69 62.20 3fk3 s THR 11 Cb 0.08 -3.27 -0.09 0.00 0.01 0.00 0.00 72.50 69.23 3fk3 s THR 11 CO -0.10 0.07 1.27 -0.22 -0.69 0.00 0.00 174.62 174.95 3fk3 s LEU 12 N -0.58 4.44 -0.08 4.42 2.96 -1.26 -4.94 118.68 123.64 3fk3 s LEU 12 Ca 0.59 2.43 -0.04 0.00 -0.22 0.00 0.00 54.13 56.89 3fk3 s LEU 12 Cb -0.43 -3.62 0.04 0.00 0.50 0.00 0.00 46.19 42.67 3fk3 s LEU 12 CO 0.46 -0.45 0.19 -0.55 -1.32 0.00 0.00 176.35 174.67 3fk3 s SER 13 N -0.06 -0.18 -0.03 3.68 0.15 -1.26 -1.18 113.70 114.82 3fk3 s SER 13 Ca 0.53 0.39 0.03 0.00 0.70 0.00 0.00 55.95 57.60 3fk3 s SER 13 Cb -0.36 0.29 -0.00 0.00 -1.71 0.00 0.00 66.02 64.24 3fk3 s SER 13 CO 0.42 -0.14 -0.13 -0.69 1.20 0.00 0.00 173.24 173.90 3fk3 s VAL 14 N 1.06 1.10 0.02 4.45 1.01 -0.66 -4.98 120.40 122.40 3fk3 s VAL 14 Ca -0.08 -0.54 0.03 0.00 0.00 0.00 0.00 61.98 61.39 3fk3 s VAL 14 Cb -0.10 -0.96 -0.04 0.00 0.00 0.00 0.00 36.38 35.29 3fk3 s VAL 14 CO -0.06 0.33 -0.03 -0.44 0.00 0.00 0.00 175.10 174.90 3fk3 s SER 15 N 0.07 4.88 -0.11 3.32 0.01 -1.26 0.46 113.70 121.08 3fk3 s SER 15 Ca -0.02 -0.11 -0.01 0.00 1.31 0.00 0.00 55.95 57.12 3fk3 s SER 15 Cb -0.10 -1.19 0.03 0.00 0.21 0.00 0.00 66.02 64.97 3fk3 s SER 15 CO 0.01 0.25 -0.06 -0.13 0.41 0.00 0.00 173.24 173.73 3fk3 s ARG 16 N -1.69 1.32 0.30 12.44 1.81 0.65 -4.96 118.95 128.82 3fk3 s ARG 16 Ca 0.20 -0.18 -0.30 0.00 -1.72 0.00 0.00 55.73 53.73 3fk3 s ARG 16 Cb -0.11 -1.47 -0.11 0.00 -0.45 0.00 0.00 34.95 32.81 3fk3 s ARG 16 CO 0.11 -0.28 1.56 -2.14 -0.68 0.00 0.00 175.30 173.87 3fk3 s PRO 17 N 1.77 4.14 -0.01 3.54 0.02 -1.26 0.39 135.00 143.59 3fk3 s PRO 17 Ca 0.05 2.54 0.01 0.00 0.02 0.00 0.00 61.00 63.62 3fk3 s PRO 17 Cb -0.13 -3.03 0.00 0.00 0.02 0.00 0.00 34.50 31.37 3fk3 s PRO 17 CO -0.08 -0.59 -0.03 -1.50 -0.33 0.00 0.00 177.00 174.47 3fk3 s ILE 18 N -0.15 0.32 -0.14 2.83 1.10 0.20 -4.66 121.20 120.71 3fk3 s ILE 18 Ca 0.61 -0.12 0.00 0.00 -0.51 0.00 0.00 60.65 60.63 3fk3 s ILE 18 Cb -0.47 -0.31 -0.01 0.00 0.15 0.00 0.00 42.46 41.82 3fk3 s ILE 18 CO 0.49 0.12 -0.14 -0.63 -2.11 0.00 0.00 174.94 172.66 3fk3 s ILE 19 N 0.21 2.87 0.11 2.00 1.01 -0.17 -0.98 121.20 126.25 3fk3 s ILE 19 Ca -0.02 -0.72 -0.10 0.00 0.00 0.00 0.00 60.65 59.81 3fk3 s ILE 19 Cb -0.05 -2.20 0.00 0.00 0.01 0.00 0.00 42.46 40.22 3fk3 s ILE 19 CO -0.00 0.52 0.25 -0.72 0.00 0.00 0.00 174.94 174.99 3fk3 s TYR 20 N 0.50 0.14 -5.00 3.97 -0.85 -0.74 0.45 117.35 115.81 3fk3 s TYR 20 Ca -0.10 -0.53 0.00 0.00 -0.52 0.00 0.00 57.07 55.92 3fk3 s TYR 20 Cb -0.16 0.00 0.00 0.00 0.38 0.00 0.00 41.96 42.18 3fk3 s TYR 20 CO 0.04 -0.61 0.00 0.41 -1.52 0.00 0.00 175.55 173.87 3fk3 n GLY 21 N -0.13 0.76 3.11 5.49 0.00 -0.95 -0.30 105.19 113.17 3fk3 n GLY 21 Ca -0.14 -1.67 -0.11 0.00 0.00 0.00 0.00 46.02 44.10 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 0.02 0.22 1.61 4.22 -0.23 -1.34 114.94 115.43 3fk3 s ASN 22 Ca 0.00 -0.21 0.07 0.00 -2.14 0.00 0.00 52.86 50.58 3fk3 s ASN 22 Cb 0.00 0.21 -0.04 0.00 1.28 0.00 0.00 41.25 42.70 3fk3 s ASN 22 CO 0.00 -0.38 0.08 0.42 -2.04 0.00 0.00 177.10 175.18 3fk3 s THR 23 N -1.45 4.02 0.01 0.54 -4.23 -0.81 -0.99 115.64 112.73 3fk3 s THR 23 Ca -0.14 -1.47 -0.09 0.00 -1.18 0.00 0.00 61.69 58.81 3fk3 s THR 23 Cb -0.07 -3.10 0.01 0.00 1.34 0.00 0.00 72.50 70.67 3fk3 s THR 23 CO 0.01 -0.24 0.19 0.00 -0.54 0.00 0.00 174.62 174.04 3fk3 s ALA 24 N -1.99 -0.42 -0.07 3.99 0.00 0.24 -1.53 121.76 121.99 3fk3 s ALA 24 Ca 0.31 -0.11 -0.03 0.00 0.00 0.00 0.00 51.96 52.13 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 0.22 -0.27 0.15 0.21 0.00 0.00 0.00 175.76 176.07 3fk3 s LYS 25 N -1.79 0.11 0.17 0.00 2.20 0.92 -1.28 119.74 120.07 3fk3 s LYS 25 Ca -0.11 0.37 -0.03 0.00 -0.36 0.00 0.00 55.97 55.84 3fk3 s LYS 25 Cb -0.05 -0.14 0.04 0.00 -1.51 0.00 0.00 37.83 36.17 3fk3 s LYS 25 CO 0.00 -0.15 0.18 1.17 -0.36 0.00 0.00 175.35 176.20 3fk3 n LYS 26 N 4.07 -0.74 0.00 4.03 4.81 -1.26 0.09 118.16 129.16 3fk3 n LYS 26 Ca -0.25 -0.29 0.00 0.00 -0.87 0.00 0.00 58.31 56.90 3fk3 n LYS 26 Cb 0.53 -0.23 0.00 0.00 0.02 0.00 0.00 35.03 35.35 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 2.59 5.34 0.14 3.14 0.00 -1.26 -4.94 105.19 110.21 3fk3 n GLY 28 Ca 0.02 -1.84 -0.03 0.00 0.00 0.00 0.00 46.02 44.18 3fk3 n GLY 28 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3fk3 h SER 29 N 0.00 0.09 -3.48 1.61 4.64 -2.04 -3.41 113.55 110.96 3fk3 h SER 29 Ca 0.00 -0.06 -0.59 0.00 -0.47 0.00 0.00 61.79 60.67 3fk3 h SER 29 Cb 0.00 -0.03 -0.09 0.00 -0.31 0.00 0.00 62.40 61.97 3fk3 h SER 29 CO 0.00 0.71 0.59 -0.69 -0.87 0.00 0.00 176.83 176.57 3fk3 s VAL 30 N -3.58 4.60 0.20 0.95 1.01 -1.26 -5.04 120.40 117.28 3fk3 s VAL 30 Ca -0.02 1.20 0.07 0.00 0.00 0.00 0.00 61.98 63.23 3fk3 s VAL 30 Cb 0.12 -4.32 -0.04 0.00 0.00 0.00 0.00 36.38 32.14 3fk3 s VAL 30 CO 0.78 -0.51 0.05 -0.54 0.00 0.00 0.00 175.10 174.87 3fk3 s LYS 31 N 3.43 2.54 0.62 2.72 1.02 -1.26 -5.11 119.74 123.70 3fk3 s LYS 31 Ca 0.38 -1.11 -0.18 0.00 0.02 0.00 0.00 55.97 55.08 3fk3 s LYS 31 Cb -0.12 -2.40 -0.02 0.00 -0.52 0.00 0.00 37.83 34.76 3fk3 s LYS 31 CO 0.18 0.44 1.26 -2.14 -0.92 0.00 0.00 175.35 174.17 3fk3 s PRO 32 N -3.18 2.74 0.57 -1.68 0.02 -1.26 -4.96 135.00 127.23 3fk3 s PRO 32 Ca 0.29 1.96 -0.21 0.00 0.02 0.00 0.00 61.00 63.06 3fk3 s PRO 32 Cb -0.09 -1.88 -0.04 0.00 0.02 0.00 0.00 34.50 32.51 3fk3 s PRO 32 CO 0.20 -1.42 1.29 -1.25 -0.33 0.00 0.00 177.00 175.49 3fk3 s PRO 33 N -3.36 3.06 0.00 5.54 0.04 -1.26 -2.75 135.00 136.27 3fk3 s PRO 33 Ca 0.80 2.06 0.00 0.00 0.04 0.00 0.00 61.00 63.90 3fk3 s PRO 33 Cb -0.34 -2.12 0.00 0.00 0.04 0.00 0.00 34.50 32.07 3fk3 s PRO 33 CO 0.37 -1.20 0.00 0.09 0.04 0.00 0.00 177.00 176.30 3fk3 n ASN 34 N -1.25 0.00 -4.71 6.66 3.02 -1.26 -5.00 115.26 112.71 3fk3 n ASN 34 Ca 0.12 0.00 -0.42 0.00 -0.03 0.00 0.00 54.58 54.25 3fk3 n ASN 34 Cb 0.47 -0.62 -0.03 0.00 -0.61 0.00 0.00 39.78 38.99 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 -3.12 3.33 0.41 5.41 0.00 -1.11 -5.00 121.76 121.68 3fk3 s ALA 35 Ca 0.00 0.76 -0.26 0.00 0.00 0.00 0.00 51.96 52.46 3fk3 s ALA 35 Cb 0.00 -3.41 -0.10 0.00 0.00 0.00 0.00 23.12 19.61 3fk3 s ALA 35 CO 0.00 -0.37 1.35 -2.30 0.00 0.00 0.00 175.76 174.44 3fk3 n PRO 36 N 3.85 2.15 -0.16 0.00 -0.02 -1.26 -4.91 135.00 134.65 3fk3 n PRO 36 Ca 0.08 0.76 0.00 0.00 -2.02 0.00 0.00 63.50 62.32 3fk3 n PRO 36 Cb 0.48 -2.48 0.26 0.00 -0.02 0.00 0.00 33.50 31.73 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 2.33 1.43 0.00 3.55 0.00 -2.00 -2.11 119.26 122.45 3fk3 h ALA 37 Ca -0.49 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.33 3fk3 h ALA 37 Cb 1.28 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.81 3fk3 h ALA 37 CO 0.61 0.48 0.00 1.05 0.00 0.00 0.00 179.25 181.39 3fk3 h GLU 38 N 0.88 0.00 -6.54 0.00 9.09 -2.00 -3.45 114.58 112.56 3fk3 h GLU 38 Ca 0.23 0.00 -0.53 0.00 0.05 0.00 0.00 59.36 59.11 3fk3 h GLU 38 Cb 0.01 0.00 0.02 0.00 -1.65 0.00 0.00 28.75 27.14 3fk3 h GLU 38 CO -0.04 0.00 0.77 -1.01 0.05 0.00 0.00 179.01 178.78 3fk3 s HIS 39 N -3.23 3.15 -0.03 2.06 3.76 -0.80 -4.61 115.29 115.59 3fk3 s HIS 39 Ca 0.07 0.86 0.07 0.00 -0.15 0.00 0.00 55.06 55.91 3fk3 s HIS 39 Cb 0.10 -3.73 -0.11 0.00 1.11 0.00 0.00 32.58 29.95 3fk3 s HIS 39 CO 0.52 -2.63 0.12 0.25 -0.85 0.00 0.00 174.74 172.16 3fk3 n THR 40 N 4.04 0.15 -4.28 1.30 -2.24 -0.23 -4.88 114.28 108.14 3fk3 n THR 40 Ca 0.12 -0.21 -0.22 0.00 -2.27 0.00 0.00 64.05 61.47 3fk3 n THR 40 Cb 0.42 -0.02 -0.12 0.00 -2.10 0.00 0.00 70.33 68.51 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 -2.42 1.70 -0.12 4.78 3.76 0.10 -4.63 115.29 118.46 3fk3 s HIS 41 Ca -0.03 -0.45 -0.05 0.00 -0.15 0.00 0.00 55.06 54.38 3fk3 s HIS 41 Cb 0.04 -0.91 -0.04 0.00 1.11 0.00 0.00 32.58 32.78 3fk3 s HIS 41 CO 0.31 0.21 0.06 -1.17 -0.85 0.00 0.00 174.74 173.30 3fk3 s LEU 42 N -2.11 3.88 0.05 0.89 2.96 0.11 -0.97 118.68 123.49 3fk3 s LEU 42 Ca 0.08 0.22 -0.10 0.00 -0.22 0.00 0.00 54.13 54.11 3fk3 s LEU 42 Cb -0.09 -1.93 0.00 0.00 0.50 0.00 0.00 46.19 44.68 3fk3 s LEU 42 CO 0.04 0.33 0.21 -1.66 -1.32 0.00 0.00 176.35 173.95 3fk3 s TRP 43 N -0.56 0.05 -0.09 5.38 1.48 0.32 -0.06 118.94 125.47 3fk3 s TRP 43 Ca 0.11 -0.29 -0.00 0.00 -1.06 0.00 0.00 56.10 54.86 3fk3 s TRP 43 Cb -0.12 -0.02 0.02 0.00 -1.16 0.00 0.00 33.47 32.20 3fk3 s TRP 43 CO 0.02 -0.45 -0.05 0.99 -4.06 0.00 0.00 176.95 173.40 3fk3 s THR 44 N -2.72 0.78 -0.07 0.66 2.01 -0.58 -0.40 115.64 115.32 3fk3 s THR 44 Ca -0.04 -0.15 -0.12 0.00 0.31 0.00 0.00 61.69 61.69 3fk3 s THR 44 Cb -0.00 -0.84 -0.05 0.00 0.01 0.00 0.00 72.50 71.62 3fk3 s THR 44 CO -0.05 0.32 0.29 -0.51 -0.69 0.00 0.00 174.62 173.98 3fk3 s ILE 45 N 1.66 5.26 0.07 1.82 1.10 -0.50 -1.92 121.20 128.68 3fk3 s ILE 45 Ca 0.02 0.55 -0.11 0.00 -0.51 0.00 0.00 60.65 60.61 3fk3 s ILE 45 Cb -0.13 -3.58 0.01 0.00 0.15 0.00 0.00 42.46 38.91 3fk3 s ILE 45 CO -0.06 0.56 0.24 0.72 -2.11 0.00 0.00 174.94 174.29 3fk3 s PHE 46 N -0.78 0.03 -0.07 3.50 -0.12 -0.45 -1.37 117.98 118.73 3fk3 s PHE 46 Ca 0.19 -0.34 -0.00 0.00 -0.05 0.00 0.00 56.93 56.73 3fk3 s PHE 46 Cb -0.14 0.02 0.02 0.00 -0.63 0.00 0.00 43.02 42.29 3fk3 s PHE 46 CO 0.08 -0.52 -0.03 0.08 -0.05 0.00 0.00 175.22 174.77 3fk3 s VAL 47 N -3.26 0.59 0.32 -2.49 1.01 -0.10 -2.25 120.40 114.21 3fk3 s VAL 47 Ca 0.00 -0.06 -0.01 0.00 0.00 0.00 0.00 61.98 61.91 3fk3 s VAL 47 Cb 0.02 -0.66 -0.01 0.00 0.00 0.00 0.00 36.38 35.73 3fk3 s VAL 47 CO -0.08 0.27 0.39 0.00 0.00 0.00 0.00 175.10 175.69 3fk3 s ARG 48 N 1.51 1.76 0.33 2.72 1.70 0.17 -4.17 118.95 122.98 3fk3 s ARG 48 Ca -0.01 -1.76 0.04 0.00 -0.47 0.00 0.00 55.73 53.53 3fk3 s ARG 48 Cb -0.13 0.40 -0.02 0.00 -0.57 0.00 0.00 34.95 34.63 3fk3 s ARG 48 CO -0.04 -0.70 0.49 0.20 -1.08 0.00 0.00 175.30 174.17 3fk3 s GLY 49 N -3.24 1.44 0.42 3.88 0.00 -1.24 -1.00 107.32 107.57 3fk3 s GLY 49 Ca 0.33 -1.22 -0.26 0.00 0.00 0.00 0.00 44.72 43.56 3fk3 s GLY 49 CO 0.20 -1.16 1.41 2.56 0.00 0.00 0.00 173.10 176.12 3fk3 s PRO 50 N -4.22 3.88 -1.90 2.90 0.04 -1.26 -1.83 135.00 132.62 3fk3 s PRO 50 Ca 0.42 2.40 0.00 0.00 0.04 0.00 0.00 61.00 63.85 3fk3 s PRO 50 Cb -0.09 -2.78 0.00 0.00 0.04 0.00 0.00 34.50 31.67 3fk3 s PRO 50 CO 0.33 -0.65 0.00 1.04 0.04 0.00 0.00 177.00 177.76 3fk3 n GLN 51 N 0.09 -1.58 -2.19 4.56 3.00 -1.26 -1.83 117.38 118.16 3fk3 n GLN 51 Ca 0.03 1.06 -0.13 0.00 -0.01 0.00 0.00 57.00 57.96 3fk3 n GLN 51 Cb 0.41 -5.56 -0.02 0.00 0.00 0.00 0.00 30.24 25.07 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 -3.95 -4.72 1.08 5.15 -0.76 -4.96 115.26 105.52 3fk3 n ASN 52 Ca -0.21 0.21 -0.35 0.00 -0.60 0.00 0.00 54.58 53.63 3fk3 n ASN 52 Cb 0.66 -3.42 0.09 0.00 -0.53 0.00 0.00 39.78 36.58 3fk3 n ASN 52 CO 0.00 0.00 0.00 -1.83 1.40 0.00 0.00 177.26 176.83 3fk3 s GLU 53 N -4.59 2.18 0.35 1.20 -1.05 -0.76 -4.81 118.70 111.22 3fk3 s GLU 53 Ca 0.00 1.86 -0.28 0.00 -0.15 0.00 0.00 54.97 56.39 3fk3 s GLU 53 Cb 0.00 -1.83 -0.11 0.00 -0.44 0.00 0.00 34.13 31.75 3fk3 s GLU 53 CO 0.00 -1.83 1.47 -3.47 0.95 0.00 0.00 175.26 172.38 3fk3 n ASP 54 N -2.55 3.57 0.00 0.83 2.03 -1.26 -3.73 116.55 115.44 3fk3 n ASP 54 Ca 0.14 1.21 0.00 0.00 0.52 0.00 0.00 54.79 56.66 3fk3 n ASP 54 Cb 0.50 -1.58 0.00 0.00 -0.72 0.00 0.00 41.12 39.31 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 0.78 0.12 0.66 5.18 -5.35 -1.26 -4.76 119.36 114.72 3fk3 n ILE 55 Ca 0.04 -0.46 0.11 0.00 -0.27 0.00 0.00 62.75 62.16 3fk3 n ILE 55 Cb 0.38 1.11 0.45 0.00 -1.74 0.00 0.00 39.64 39.84 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 -0.06 0.18 0.21 7.28 3.41 -1.26 -1.16 113.62 122.22 3fk3 n SER 56 Ca 0.00 0.53 0.07 0.00 -0.26 0.00 0.00 58.87 59.21 3fk3 n SER 56 Cb 0.09 -0.58 0.47 0.00 -0.26 0.00 0.00 64.21 63.93 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 -1.94 -3.30 116.97 119.06 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 0.40 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.13 3fk3 h TYR 57 CO 0.00 0.28 -0.20 1.97 -0.00 0.00 0.00 178.16 180.21 3fk3 n PHE 58 N -3.72 0.00 -3.92 0.10 1.16 -1.11 -4.87 117.46 105.09 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 -1.15 3.01 0.02 1.97 1.01 -0.31 -1.72 121.20 124.02 3fk3 s ILE 59 Ca 0.00 -1.14 -0.20 0.00 0.00 0.00 0.00 60.65 59.31 3fk3 s ILE 59 Cb 0.00 -2.61 -0.19 0.00 0.01 0.00 0.00 42.46 39.67 3fk3 s ILE 59 CO 0.00 0.07 1.19 0.50 0.00 0.00 0.00 174.94 176.70 3fk3 h LYS 60 N 8.02 0.41 -3.05 2.79 1.63 -0.36 -3.38 116.57 122.64 3fk3 h LYS 60 Ca -0.28 -0.34 -0.04 0.00 -0.85 0.00 0.00 60.65 59.14 3fk3 h LYS 60 Cb 1.09 0.07 -0.13 0.00 -0.60 0.00 0.00 32.23 32.66 3fk3 h LYS 60 CO 0.56 0.98 0.10 -1.59 -3.45 0.00 0.00 179.45 176.05 3fk3 s LYS 61 N -3.62 1.17 -0.07 1.90 -2.85 -1.00 -4.59 119.74 110.68 3fk3 s LYS 61 Ca -0.14 -0.48 0.04 0.00 -1.00 0.00 0.00 55.97 54.39 3fk3 s LYS 61 Cb 0.04 0.53 0.00 0.00 -2.06 0.00 0.00 37.83 36.35 3fk3 s LYS 61 CO 0.80 -0.48 -0.19 0.08 0.10 0.00 0.00 175.35 175.66 3fk3 s VAL 62 N -3.49 1.60 -0.17 1.79 1.01 -0.54 -0.97 120.40 119.64 3fk3 s VAL 62 Ca 0.00 -0.77 -0.01 0.00 0.00 0.00 0.00 61.98 61.20 3fk3 s VAL 62 Cb -0.00 -1.39 -0.01 0.00 0.00 0.00 0.00 36.38 34.98 3fk3 s VAL 62 CO -0.10 0.46 -0.12 -0.69 0.00 0.00 0.00 175.10 174.65 3fk3 s VAL 63 N 0.30 2.95 -0.32 2.92 1.01 0.48 -0.40 120.40 127.35 3fk3 s VAL 63 Ca -0.12 -0.66 -0.11 0.00 0.00 0.00 0.00 61.98 61.09 3fk3 s VAL 63 Cb -0.15 -2.28 -0.01 0.00 0.00 0.00 0.00 36.38 33.94 3fk3 s VAL 63 CO 0.05 0.49 0.19 -0.36 0.00 0.00 0.00 175.10 175.47 3fk3 s PHE 64 N 0.93 3.20 -0.42 5.22 0.40 0.11 -0.24 117.98 127.17 3fk3 s PHE 64 Ca -0.02 -0.40 -0.20 0.00 -0.60 0.00 0.00 56.93 55.71 3fk3 s PHE 64 Cb -0.15 -2.40 0.02 0.00 0.51 0.00 0.00 43.02 41.00 3fk3 s PHE 64 CO -0.01 -0.40 0.60 0.21 0.70 0.00 0.00 175.22 176.32 3fk3 s LYS 65 N 1.66 3.31 0.56 0.44 2.20 -0.32 -1.42 119.74 126.16 3fk3 s LYS 65 Ca 0.05 -0.39 0.02 0.00 -0.36 0.00 0.00 55.97 55.29 3fk3 s LYS 65 Cb -0.17 -3.93 0.04 0.00 -1.51 0.00 0.00 37.83 32.26 3fk3 s LYS 65 CO 0.08 -0.93 0.78 -0.51 -0.36 0.00 0.00 175.35 174.41 3fk3 s LEU 66 N 2.66 3.27 0.40 5.43 1.43 0.80 -2.51 118.68 130.16 3fk3 s LEU 66 Ca 0.21 -0.06 -0.26 0.00 -1.03 0.00 0.00 54.13 52.98 3fk3 s LEU 66 Cb -0.15 -2.79 -0.11 0.00 0.03 0.00 0.00 46.19 43.18 3fk3 s LEU 66 CO 0.17 -1.17 1.27 1.57 0.23 0.00 0.00 176.35 178.42 3fk3 n HIS 67 N -2.35 2.17 0.43 0.29 -0.00 -1.26 -4.83 115.22 109.67 3fk3 n HIS 67 Ca 0.08 0.52 0.05 0.00 -0.00 0.00 0.00 57.72 58.37 3fk3 n HIS 67 Cb 0.60 -2.39 0.23 0.00 -0.00 0.00 0.00 29.99 28.43 3fk3 n HIS 67 CO 0.00 0.00 0.00 -0.40 -0.00 0.00 0.00 176.34 175.94 3fk3 n ASP 68 N 0.38 0.00 0.06 0.26 5.75 -1.26 -1.11 116.55 120.62 3fk3 n ASP 68 Ca 0.06 0.20 0.13 0.00 -0.01 0.00 0.00 54.79 55.16 3fk3 n ASP 68 Cb 0.39 -0.32 0.48 0.00 -1.03 0.00 0.00 41.12 40.64 3fk3 n ASP 68 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 3fk3 n THR 69 N -1.32 0.46 -3.05 2.12 -2.24 -1.26 -4.73 114.28 104.26 3fk3 n THR 69 Ca 0.04 -0.05 -0.40 0.00 -2.27 0.00 0.00 64.05 61.37 3fk3 n THR 69 Cb 0.08 -0.68 -0.05 0.00 -2.10 0.00 0.00 70.33 67.58 3fk3 n THR 69 CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 3fk3 s TYR 70 N -3.08 3.73 0.31 4.78 1.51 -0.27 -5.05 117.35 119.27 3fk3 s TYR 70 Ca 0.11 1.39 -0.29 0.00 -1.01 0.00 0.00 57.07 57.27 3fk3 s TYR 70 Cb 0.14 -2.75 -0.10 0.00 -0.11 0.00 0.00 41.96 39.14 3fk3 s TYR 70 CO 0.51 0.31 1.42 -1.25 -1.11 0.00 0.00 175.55 175.43 3fk3 s PRO 71 N -0.14 4.25 -1.02 -1.71 0.04 -1.26 -3.28 135.00 131.87 3fk3 s PRO 71 Ca 0.36 2.36 -0.17 0.00 0.04 0.00 0.00 61.00 63.59 3fk3 s PRO 71 Cb -0.20 -3.06 0.01 0.00 0.04 0.00 0.00 34.50 31.29 3fk3 s PRO 71 CO 0.21 -0.39 0.69 0.09 0.04 0.00 0.00 177.00 177.64 3fk3 n ASN 72 N 1.44 -5.08 0.01 6.66 3.02 -1.26 -4.83 115.26 115.23 3fk3 n ASN 72 Ca 0.04 -0.99 0.07 0.00 -0.03 0.00 0.00 54.58 53.66 3fk3 n ASN 72 Cb 0.40 -2.53 0.30 0.00 -0.61 0.00 0.00 39.78 37.34 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 -3.72 0.02 -3.14 3.52 -0.04 -1.20 -4.21 135.00 126.22 3fk3 n PRO 73 Ca -0.16 0.30 -0.45 0.00 -0.04 0.00 0.00 63.50 63.15 3fk3 n PRO 73 Cb 0.61 -1.54 -0.04 0.00 -0.04 0.00 0.00 33.50 32.49 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 -3.03 4.98 -0.42 0.52 1.01 -1.26 -0.14 120.40 122.05 3fk3 s VAL 74 Ca 0.06 -1.37 -0.15 0.00 0.00 0.00 0.00 61.98 60.52 3fk3 s VAL 74 Cb 0.08 -4.52 0.03 0.00 0.00 0.00 0.00 36.38 31.98 3fk3 s VAL 74 CO 0.25 -1.14 0.31 -0.13 0.00 0.00 0.00 175.10 174.39 3fk3 s ARG 75 N 2.16 2.95 -0.28 2.72 1.81 -0.51 -4.97 118.95 122.83 3fk3 s ARG 75 Ca 0.15 -1.11 -0.15 0.00 -1.72 0.00 0.00 55.73 52.90 3fk3 s ARG 75 Cb -0.20 -3.99 -0.03 0.00 -0.45 0.00 0.00 34.95 30.28 3fk3 s ARG 75 CO 0.01 -0.81 0.38 0.45 -0.68 0.00 0.00 175.30 174.65 3fk3 s SER 76 N 1.89 6.25 -0.35 0.23 0.15 -1.26 -0.71 113.70 119.89 3fk3 s SER 76 Ca 0.04 0.21 -0.08 0.00 0.70 0.00 0.00 55.95 56.83 3fk3 s SER 76 Cb -0.20 -2.21 0.04 0.00 -1.71 0.00 0.00 66.02 61.93 3fk3 s SER 76 CO 0.09 -0.22 0.14 -0.63 1.20 0.00 0.00 173.24 173.82 3fk3 s ILE 77 N 2.08 4.00 -2.01 6.45 -1.09 0.46 -4.97 121.20 126.12 3fk3 s ILE 77 Ca 0.15 -1.10 0.18 0.00 -2.23 0.00 0.00 60.65 57.65 3fk3 s ILE 77 Cb -0.16 -3.28 0.28 0.00 -1.58 0.00 0.00 42.46 37.73 3fk3 s ILE 77 CO 0.10 -0.22 1.21 -0.62 -1.23 0.00 0.00 174.94 174.18 3fk3 n GLU 78 N 4.86 2.02 -3.74 2.79 1.02 -1.26 -1.46 120.64 124.86 3fk3 n GLU 78 Ca -0.12 -1.90 -0.14 0.00 -0.02 0.00 0.00 57.16 54.98 3fk3 n GLU 78 Cb 0.45 -1.39 -0.09 0.00 -0.02 0.00 0.00 31.44 30.39 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 -1.33 -0.88 0.62 0.62 0.00 -1.26 -4.78 121.76 114.75 3fk3 s ALA 79 Ca 0.28 0.53 -0.18 0.00 0.00 0.00 0.00 51.96 52.59 3fk3 s ALA 79 Cb 0.17 -0.05 -0.02 0.00 0.00 0.00 0.00 23.12 23.22 3fk3 s ALA 79 CO 0.24 -0.25 1.19 -1.25 0.00 0.00 0.00 175.76 175.69 3fk3 s PRO 80 N -1.04 2.82 0.30 0.00 0.04 -1.26 -4.30 135.00 131.55 3fk3 s PRO 80 Ca -0.11 1.76 -0.29 0.00 0.04 0.00 0.00 61.00 62.40 3fk3 s PRO 80 Cb -0.04 -1.92 -0.10 0.00 0.04 0.00 0.00 34.50 32.48 3fk3 s PRO 80 CO 0.04 -1.31 1.22 -1.25 0.04 0.00 0.00 177.00 175.74 3fk3 s PRO 81 N -3.52 4.48 -1.29 0.56 0.04 -1.26 -5.08 135.00 128.93 3fk3 s PRO 81 Ca 0.75 2.03 -0.15 0.00 0.04 0.00 0.00 61.00 63.68 3fk3 s PRO 81 Cb -0.29 -3.13 0.12 0.00 0.04 0.00 0.00 34.50 31.24 3fk3 s PRO 81 CO 0.36 -0.03 1.71 1.19 0.04 0.00 0.00 177.00 180.27 3fk3 n PHE 82 N 1.12 4.40 -3.80 0.56 3.72 -1.26 -4.89 117.46 117.31 3fk3 n PHE 82 Ca 0.00 -3.04 -0.09 0.00 -0.05 0.00 0.00 57.45 54.27 3fk3 n PHE 82 Cb 0.43 -2.38 -0.07 0.00 -0.94 0.00 0.00 39.48 36.53 3fk3 n PHE 82 CO 0.00 0.00 0.00 -1.83 -0.05 0.00 0.00 176.76 174.88 3fk3 s GLU 83 N 2.62 0.91 -0.01 -1.08 -1.05 -1.26 -0.92 118.70 117.91 3fk3 s GLU 83 Ca 0.47 -0.90 -0.03 0.00 -0.15 0.00 0.00 54.97 54.36 3fk3 s GLU 83 Cb 0.04 0.38 -0.00 0.00 -0.44 0.00 0.00 34.13 34.10 3fk3 s GLU 83 CO 0.02 -0.31 0.06 -0.48 0.95 0.00 0.00 175.26 175.50 3fk3 s LEU 84 N -2.85 1.81 -0.07 1.83 0.05 -0.47 -5.00 118.68 113.99 3fk3 s LEU 84 Ca 0.05 -0.13 0.02 0.00 0.05 0.00 0.00 54.13 54.12 3fk3 s LEU 84 Cb 0.04 0.33 -0.03 0.00 -2.05 0.00 0.00 46.19 44.49 3fk3 s LEU 84 CO -0.11 -0.20 -0.10 -0.89 -0.55 0.00 0.00 176.35 174.51 3fk3 s THR 85 N -0.77 3.45 0.20 5.48 2.01 -1.26 -1.41 115.64 123.34 3fk3 s THR 85 Ca -0.09 -0.57 -0.15 0.00 0.31 0.00 0.00 61.69 61.20 3fk3 s THR 85 Cb -0.05 -2.40 0.01 0.00 0.01 0.00 0.00 72.50 70.07 3fk3 s THR 85 CO 0.00 0.59 0.47 -0.70 -0.69 0.00 0.00 174.62 174.29 3fk3 s GLU 86 N -0.69 1.39 0.18 4.92 2.56 0.47 -5.00 118.70 122.53 3fk3 s GLU 86 Ca 0.10 -1.03 0.05 0.00 0.00 0.00 0.00 54.97 54.10 3fk3 s GLU 86 Cb -0.11 0.48 -0.04 0.00 2.00 0.00 0.00 34.13 36.46 3fk3 s GLU 86 CO 0.01 -0.57 0.17 0.95 -0.56 0.00 0.00 175.26 175.26 3fk3 s THR 87 N -3.93 4.57 0.03 -1.70 -4.23 -1.26 -0.52 115.64 108.60 3fk3 s THR 87 Ca 0.14 -1.12 -0.29 0.00 -1.18 0.00 0.00 61.69 59.25 3fk3 s THR 87 Cb -0.00 -3.37 0.10 0.00 1.34 0.00 0.00 72.50 70.57 3fk3 s THR 87 CO 0.01 -0.16 1.17 -0.83 -0.54 0.00 0.00 174.62 174.27 3fk3 s GLY 88 N -3.30 -0.35 -0.01 3.99 0.00 -0.15 -4.95 107.32 102.55 3fk3 s GLY 88 Ca 0.32 0.54 0.03 0.00 0.00 0.00 0.00 44.72 45.61 3fk3 s GLY 88 CO 0.24 0.10 0.05 -2.67 0.00 0.00 0.00 173.10 170.82 3fk3 n TRP 89 N -0.47 0.00 -4.57 1.90 4.27 -1.26 0.01 117.44 117.32 3fk3 n TRP 89 Ca -0.08 0.00 -0.29 0.00 -3.89 0.00 0.00 57.50 53.24 3fk3 n TRP 89 Cb 0.62 -0.09 -0.14 0.00 -1.36 0.00 0.00 31.31 30.35 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 -2.67 1.50 -0.00 -1.67 0.00 -1.26 -4.86 107.32 98.37 3fk3 s GLY 90 Ca -0.01 -1.39 -0.29 0.00 0.00 0.00 0.00 44.72 43.03 3fk3 s GLY 90 CO 0.12 -1.33 0.95 -0.54 0.00 0.00 0.00 173.10 172.29 3fk3 s GLU 91 N -1.76 4.55 0.14 2.90 2.02 -1.26 -4.99 118.70 120.31 3fk3 s GLU 91 Ca 0.13 1.36 -0.11 0.00 0.02 0.00 0.00 54.97 56.36 3fk3 s GLU 91 Cb -0.10 -3.45 0.01 0.00 0.10 0.00 0.00 34.13 30.68 3fk3 s GLU 91 CO 0.05 -0.02 0.32 -0.59 0.02 0.00 0.00 175.26 175.03 3fk3 s PHE 92 N 0.93 0.14 0.28 1.61 -0.12 -1.25 -4.96 117.98 114.61 3fk3 s PHE 92 Ca 0.50 -0.51 -0.29 0.00 -0.05 0.00 0.00 56.93 56.58 3fk3 s PHE 92 Cb -0.21 0.07 -0.09 0.00 -0.63 0.00 0.00 43.02 42.16 3fk3 s PHE 92 CO 0.27 -0.70 1.06 -0.51 -0.05 0.00 0.00 175.22 175.29 3fk3 s ASP 93 N -2.90 7.30 -0.13 1.98 1.01 -1.26 -1.29 116.67 121.38 3fk3 s ASP 93 Ca 0.10 2.18 0.02 0.00 0.71 0.00 0.00 52.55 55.56 3fk3 s ASP 93 Cb 0.03 -2.62 -0.00 0.00 1.01 0.00 0.00 42.92 41.34 3fk3 s ASP 93 CO -0.05 -0.11 -0.19 -0.63 0.21 0.00 0.00 175.17 174.39 3fk3 s ILE 94 N -1.22 2.45 -0.45 0.77 1.01 -0.15 -4.44 121.20 119.18 3fk3 s ILE 94 Ca 0.45 -0.86 -0.25 0.00 0.00 0.00 0.00 60.65 59.99 3fk3 s ILE 94 Cb -0.30 -1.99 0.02 0.00 0.01 0.00 0.00 42.46 40.20 3fk3 s ILE 94 CO 0.38 0.54 0.89 0.21 0.00 0.00 0.00 174.94 176.96 3fk3 s ASN 95 N 0.55 6.50 -0.25 3.58 3.04 -1.04 -1.16 114.94 126.15 3fk3 s ASN 95 Ca -0.12 0.13 -0.19 0.00 0.04 0.00 0.00 52.86 52.73 3fk3 s ASN 95 Cb -0.16 -2.44 -0.02 0.00 -1.54 0.00 0.00 41.25 37.08 3fk3 s ASN 95 CO 0.04 -0.99 0.57 -0.63 -3.04 0.00 0.00 177.10 173.04 3fk3 s ILE 96 N 3.62 5.03 -0.27 -5.21 1.01 0.54 -1.17 121.20 124.75 3fk3 s ILE 96 Ca 0.36 1.00 -0.08 0.00 0.00 0.00 0.00 60.65 61.93 3fk3 s ILE 96 Cb -0.11 -3.88 -0.01 0.00 0.01 0.00 0.00 42.46 38.47 3fk3 s ILE 96 CO 0.25 0.07 0.09 -0.54 0.00 0.00 0.00 174.94 174.80 3fk3 s LYS 97 N 2.36 3.44 -0.28 2.79 1.02 0.66 -1.46 119.74 128.26 3fk3 s LYS 97 Ca 0.24 -0.63 -0.09 0.00 0.02 0.00 0.00 55.97 55.51 3fk3 s LYS 97 Cb -0.16 -3.39 -0.02 0.00 -0.52 0.00 0.00 37.83 33.75 3fk3 s LYS 97 CO 0.09 -0.30 0.12 0.08 -0.92 0.00 0.00 175.35 174.41 3fk3 s VAL 98 N 1.59 4.52 -0.32 3.17 1.01 0.05 -0.39 120.40 130.03 3fk3 s VAL 98 Ca 0.05 -0.29 -0.11 0.00 0.00 0.00 0.00 61.98 61.63 3fk3 s VAL 98 Cb -0.16 -3.22 -0.02 0.00 0.00 0.00 0.00 36.38 32.98 3fk3 s VAL 98 CO 0.04 0.19 0.19 -0.31 0.00 0.00 0.00 175.10 175.20 3fk3 s TYR 99 N 1.62 3.20 0.61 5.22 1.51 -0.14 -1.47 117.35 127.89 3fk3 s TYR 99 Ca 0.05 -0.34 -0.12 0.00 -1.01 0.00 0.00 57.07 55.65 3fk3 s TYR 99 Cb -0.16 -2.40 -0.04 0.00 -0.11 0.00 0.00 41.96 39.24 3fk3 s TYR 99 CO 0.05 -0.38 1.03 -0.06 -1.11 0.00 0.00 175.55 175.08 3fk3 s PHE 100 N 1.67 3.50 0.61 2.71 0.40 -1.26 0.29 117.98 125.90 3fk3 s PHE 100 Ca 0.06 1.35 -0.19 0.00 -0.60 0.00 0.00 56.93 57.55 3fk3 s PHE 100 Cb -0.17 -2.77 -0.03 0.00 0.51 0.00 0.00 43.02 40.56 3fk3 s PHE 100 CO 0.08 -0.71 1.20 0.28 0.70 0.00 0.00 175.22 176.78 3fk3 n VAL 101 N -2.52 4.35 0.10 -0.44 0.31 -0.70 -4.35 118.33 115.07 3fk3 n VAL 101 Ca 0.06 -0.50 0.17 0.00 -0.01 0.00 0.00 64.34 64.07 3fk3 n VAL 101 Cb 0.54 -1.41 0.71 0.00 -0.91 0.00 0.00 33.84 32.77 3fk3 n VAL 101 CO 0.00 0.00 0.00 1.05 -1.32 0.00 0.00 176.83 176.56 3fk3 h GLU 102 N 0.69 0.00 -0.06 5.55 4.11 -1.95 -1.11 114.58 121.80 3fk3 h GLU 102 Ca -0.50 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 58.91 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 0.53 0.00 -0.03 0.93 0.07 0.00 0.00 179.01 180.51 3fk3 h GLU 103 N 0.00 0.09 -0.24 1.06 3.07 -1.98 -2.87 114.58 113.70 3fk3 h GLU 103 Ca 0.17 -0.01 0.02 0.00 -0.50 0.00 0.00 59.36 59.04 3fk3 h GLU 103 Cb 0.72 -0.02 -0.01 0.00 -0.84 0.00 0.00 28.75 28.60 3fk3 h GLU 103 CO -0.00 0.13 0.16 0.00 -1.40 0.00 0.00 179.01 177.90 3fk3 h ALA 104 N 1.89 1.92 -6.09 3.43 0.00 -1.54 -3.39 119.26 115.48 3fk3 h ALA 104 Ca 0.02 -0.01 -0.43 0.00 0.00 0.00 0.00 54.91 54.49 3fk3 h ALA 104 Cb 0.11 -0.07 0.04 0.00 0.00 0.00 0.00 17.79 17.88 3fk3 h ALA 104 CO 0.00 0.05 -0.77 0.09 0.00 0.00 0.00 179.25 178.62 3fk3 n ASN 105 N -4.50 -3.48 -4.62 0.00 5.03 -1.09 -4.75 115.26 101.85 3fk3 n ASN 105 Ca 0.01 -0.74 -0.32 0.00 0.87 0.00 0.00 54.58 54.40 3fk3 n ASN 105 Cb 0.14 -4.25 -0.10 0.00 -1.02 0.00 0.00 39.78 34.54 3fk3 n ASN 105 CO 0.00 0.00 0.00 -1.61 -1.83 0.00 0.00 177.26 173.82 3fk3 s GLU 106 N -6.22 2.59 1.02 3.52 0.41 -1.26 -5.12 118.70 113.65 3fk3 s GLU 106 Ca 0.35 -0.72 -0.11 0.00 -0.41 0.00 0.00 54.97 54.08 3fk3 s GLU 106 Cb -0.17 -2.53 0.21 0.00 -1.78 0.00 0.00 34.13 29.85 3fk3 s GLU 106 CO 0.80 0.60 1.09 0.21 -0.49 0.00 0.00 175.26 177.46 3fk3 s LYS 107 N -1.55 0.17 0.24 1.61 2.20 -1.26 -4.85 119.74 116.31 3fk3 s LYS 107 Ca 0.18 1.17 -0.30 0.00 -0.36 0.00 0.00 55.97 56.66 3fk3 s LYS 107 Cb -0.11 -1.66 -0.10 0.00 -1.51 0.00 0.00 37.83 34.45 3fk3 s LYS 107 CO 0.09 -3.09 1.38 0.08 -0.36 0.00 0.00 175.35 173.46 3fk3 s VAL 108 N -2.59 2.84 -0.40 4.02 1.01 -1.26 -4.78 120.40 119.24 3fk3 s VAL 108 Ca 0.67 0.72 -0.24 0.00 0.00 0.00 0.00 61.98 63.13 3fk3 s VAL 108 Cb -0.23 -3.46 0.02 0.00 0.00 0.00 0.00 36.38 32.70 3fk3 s VAL 108 CO 0.61 0.12 0.83 -0.22 0.00 0.00 0.00 175.10 176.44 3fk3 s LEU 109 N -0.46 4.11 -0.21 3.92 2.96 -0.54 -4.93 118.68 123.53 3fk3 s LEU 109 Ca 0.57 0.25 -0.11 0.00 -0.22 0.00 0.00 54.13 54.63 3fk3 s LEU 109 Cb -0.40 -3.08 -0.05 0.00 0.50 0.00 0.00 46.19 43.17 3fk3 s LEU 109 CO 0.43 -0.84 0.16 0.20 -1.32 0.00 0.00 176.35 174.97 3fk3 s ASN 110 N 1.98 6.21 0.27 3.68 0.01 -1.26 -0.77 114.94 125.05 3fk3 s ASN 110 Ca 0.33 0.23 0.02 0.00 -0.71 0.00 0.00 52.86 52.73 3fk3 s ASN 110 Cb -0.12 -2.10 -0.01 0.00 0.41 0.00 0.00 41.25 39.43 3fk3 s ASN 110 CO 0.20 0.14 0.31 2.22 -1.51 0.00 0.00 177.10 178.45 3fk3 n PHE 111 N 3.74 -0.94 -4.11 2.20 1.16 -0.54 -5.02 117.46 113.95 3fk3 n PHE 111 Ca -0.15 -2.02 -0.13 0.00 -1.87 0.00 0.00 57.45 53.28 3fk3 n PHE 111 Cb 0.52 0.33 -0.11 0.00 -1.61 0.00 0.00 39.48 38.61 3fk3 n PHE 111 CO 0.00 0.00 0.00 0.71 -1.87 0.00 0.00 176.76 175.60 3fk3 s TYR 112 N -3.21 0.80 -0.16 2.97 2.02 -1.26 -0.34 117.35 118.18 3fk3 s TYR 112 Ca 0.27 -0.61 -0.05 0.00 -0.37 0.00 0.00 57.07 56.31 3fk3 s TYR 112 Cb 0.00 -0.47 0.08 0.00 -0.40 0.00 0.00 41.96 41.17 3fk3 s TYR 112 CO 0.19 -0.08 0.32 -1.58 -1.57 0.00 0.00 175.55 172.84 3fk3 s HIS 113 N -1.98 -0.57 -0.23 2.71 5.65 -0.31 -4.93 115.29 115.63 3fk3 s HIS 113 Ca -0.03 1.17 -0.29 0.00 0.25 0.00 0.00 55.06 56.16 3fk3 s HIS 113 Cb -0.06 0.09 -0.02 0.00 -1.18 0.00 0.00 32.58 31.41 3fk3 s HIS 113 CO -0.01 -0.41 1.51 0.50 -0.65 0.00 0.00 174.74 175.68 3fk3 s ARG 114 N 2.49 3.87 0.05 2.88 6.06 -1.26 -0.98 118.95 132.07 3fk3 s ARG 114 Ca 0.00 1.57 -0.30 0.00 -2.50 0.00 0.00 55.73 54.50 3fk3 s ARG 114 Cb -0.12 -3.97 -0.08 0.00 0.06 0.00 0.00 34.95 30.84 3fk3 s ARG 114 CO -0.10 -1.19 1.67 -1.17 -2.50 0.00 0.00 175.30 172.01 3fk3 s LEU 115 N 4.81 4.36 -0.16 -0.88 2.96 -0.41 -4.94 118.68 124.42 3fk3 s LEU 115 Ca 0.66 2.47 -0.05 0.00 -0.22 0.00 0.00 54.13 56.99 3fk3 s LEU 115 Cb -0.23 -3.56 -0.03 0.00 0.50 0.00 0.00 46.19 42.87 3fk3 s LEU 115 CO 0.27 -0.90 -0.01 -0.13 -1.32 0.00 0.00 176.35 174.25 3fk3 s ARG 116 N 2.92 3.75 -0.06 1.98 1.81 -1.26 -3.89 118.95 124.20 3fk3 s ARG 116 Ca 0.75 -0.47 0.04 0.00 -1.72 0.00 0.00 55.73 54.32 3fk3 s ARG 116 Cb -0.39 -2.99 -0.06 0.00 -0.45 0.00 0.00 34.95 31.06 3fk3 s ARG 116 CO 0.32 0.26 -0.00 1.28 -0.68 0.00 0.00 175.30 176.48 3fk3 n LEU 117 N 3.52 0.72 -4.77 2.53 4.77 -1.26 -4.52 117.00 117.98 3fk3 n LEU 117 Ca -0.17 -0.01 -0.32 0.00 -0.03 0.00 0.00 56.01 55.48 3fk3 n LEU 117 Cb 0.52 0.04 -0.07 0.00 -2.33 0.00 0.00 43.42 41.59 3fk3 n LEU 117 CO 0.34 0.25 -0.26 -1.00 -1.33 0.00 0.00 177.39 175.38 3fk3 s HIS 118 N -2.13 3.25 -0.40 -1.77 3.76 -1.26 -4.76 115.29 111.98 3fk3 s HIS 118 Ca -0.04 0.17 -0.37 0.00 -0.15 0.00 0.00 55.06 54.67 3fk3 s HIS 118 Cb 0.02 -1.71 -0.16 0.00 1.11 0.00 0.00 32.58 31.84 3fk3 s HIS 118 CO 0.20 0.54 1.34 -2.30 -0.85 0.00 0.00 174.74 173.67 3fk3 n PRO 119 N 1.07 0.00 -0.03 8.40 -0.02 -1.26 -5.00 135.00 138.16 3fk3 n PRO 119 Ca -0.12 0.00 -0.01 0.00 -2.02 0.00 0.00 63.50 61.35 3fk3 n PRO 119 Cb 0.52 -1.19 -0.00 0.00 -0.02 0.00 0.00 33.50 32.81 3fk3 n PRO 119 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 3fk3 n GLU 144 N 3.60 0.00 -5.23 -0.52 1.02 -1.26 -5.18 120.64 113.07 3fk3 n GLU 144 Ca 0.28 0.00 -0.32 0.00 -0.02 0.00 0.00 57.16 57.10 3fk3 n GLU 144 Cb -0.05 -0.02 -0.16 0.00 -0.02 0.00 0.00 31.44 31.19 3fk3 n GLU 144 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 3fk3 s VAL 145 N -0.03 2.14 0.00 2.62 1.01 -0.40 -4.98 120.40 120.76 3fk3 s VAL 145 Ca 0.01 -1.04 0.00 0.00 0.00 0.00 0.00 61.98 60.96 3fk3 s VAL 145 Cb -0.02 -1.78 -0.01 0.00 0.00 0.00 0.00 36.38 34.58 3fk3 s VAL 145 CO 0.01 0.57 -0.02 -0.94 0.00 0.00 0.00 175.10 174.73 3fk3 s SER 146 N -0.21 0.21 -0.30 3.32 1.04 -1.26 0.80 113.70 117.29 3fk3 s SER 146 Ca -0.02 -0.13 0.02 0.00 0.48 0.00 0.00 55.95 56.31 3fk3 s SER 146 Cb -0.13 0.00 0.09 0.00 0.10 0.00 0.00 66.02 66.08 3fk3 s SER 146 CO 0.03 -0.05 0.01 -0.55 0.98 0.00 0.00 173.24 173.67 3fk3 s SER 147 N -0.34 4.41 -0.04 7.02 0.15 -0.16 -5.01 113.70 119.73 3fk3 s SER 147 Ca -0.03 -1.75 0.03 0.00 0.70 0.00 0.00 55.95 54.90 3fk3 s SER 147 Cb -0.03 -1.40 0.01 0.00 -1.71 0.00 0.00 66.02 62.89 3fk3 s SER 147 CO -0.00 -0.33 -0.11 -0.69 1.20 0.00 0.00 173.24 173.31 3fk3 s VAL 148 N 1.15 0.99 -0.08 4.45 1.01 -1.26 -1.07 120.40 125.59 3fk3 s VAL 148 Ca 0.04 -0.44 0.03 0.00 0.00 0.00 0.00 61.98 61.60 3fk3 s VAL 148 Cb -0.19 -0.89 -0.02 0.00 0.00 0.00 0.00 36.38 35.28 3fk3 s VAL 148 CO -0.10 0.31 -0.16 -0.31 0.00 0.00 0.00 175.10 174.84 3fk3 s TYR 149 N 0.35 2.70 -0.65 5.22 2.02 0.59 -4.99 117.35 122.60 3fk3 s TYR 149 Ca -0.07 -0.45 -0.02 0.00 -0.37 0.00 0.00 57.07 56.16 3fk3 s TYR 149 Cb -0.12 -1.71 0.16 0.00 -0.40 0.00 0.00 41.96 39.90 3fk3 s TYR 149 CO 0.02 -0.04 0.46 0.12 -1.57 0.00 0.00 175.55 174.53 3fk3 s PHE 150 N -0.20 3.42 0.00 2.71 5.36 -1.26 -1.79 117.98 126.22 3fk3 s PHE 150 Ca -0.00 -2.81 0.00 0.00 -0.96 0.00 0.00 56.93 53.16 3fk3 s PHE 150 Cb -0.13 -3.16 0.00 0.00 -0.34 0.00 0.00 43.02 39.39 3fk3 s PHE 150 CO 0.03 -0.81 0.00 -0.25 -1.46 0.00 0.00 175.22 172.73 3fk3 n ASP 151 N 3.29 1.33 -3.77 6.13 8.00 -0.15 -4.93 116.55 126.45 3fk3 n ASP 151 Ca 0.09 -0.05 -0.17 0.00 0.71 0.00 0.00 54.79 55.38 3fk3 n ASP 151 Cb 0.37 0.00 -0.17 0.00 -0.02 0.00 0.00 41.12 41.31 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 1.50 0.09 -0.35 -1.24 2.12 -1.26 -0.62 118.70 118.93 3fk3 s GLU 152 Ca 0.00 0.19 -0.20 0.00 0.36 0.00 0.00 54.97 55.32 3fk3 s GLU 152 Cb 0.00 -0.41 0.00 0.00 0.26 0.00 0.00 34.13 33.98 3fk3 s GLU 152 CO 0.00 -0.20 0.61 0.42 -0.54 0.00 0.00 175.26 175.55 3fk3 s ILE 153 N 1.31 4.92 -0.28 -3.70 1.01 0.16 -4.90 121.20 119.73 3fk3 s ILE 153 Ca -0.06 0.52 -0.17 0.00 0.00 0.00 0.00 60.65 60.95 3fk3 s ILE 153 Cb -0.13 -4.05 -0.03 0.00 0.01 0.00 0.00 42.46 38.26 3fk3 s ILE 153 CO -0.03 -0.29 0.45 -0.69 0.00 0.00 0.00 174.94 174.39 3fk3 s VAL 154 N 2.63 5.11 -0.32 2.92 1.01 -1.26 -0.25 120.40 130.23 3fk3 s VAL 154 Ca 0.23 0.67 -0.17 0.00 0.00 0.00 0.00 61.98 62.71 3fk3 s VAL 154 Cb -0.15 -3.79 -0.01 0.00 0.00 0.00 0.00 36.38 32.43 3fk3 s VAL 154 CO 0.14 0.08 0.46 -0.36 0.00 0.00 0.00 175.10 175.42 3fk3 s PHE 155 N 2.22 3.21 -0.10 5.22 0.40 0.17 -4.96 117.98 124.13 3fk3 s PHE 155 Ca 0.18 0.24 -0.17 0.00 -0.60 0.00 0.00 56.93 56.58 3fk3 s PHE 155 Cb -0.16 -2.80 -0.05 0.00 0.51 0.00 0.00 43.02 40.53 3fk3 s PHE 155 CO 0.10 -0.44 0.44 1.21 0.70 0.00 0.00 175.22 177.24 3fk3 s ASN 156 N 1.71 6.68 -1.24 1.36 3.84 -1.26 -1.66 114.94 124.38 3fk3 s ASN 156 Ca 0.17 0.81 -0.12 0.00 0.21 0.00 0.00 52.86 53.93 3fk3 s ASN 156 Cb -0.16 -2.27 -0.01 0.00 -0.55 0.00 0.00 41.25 38.27 3fk3 s ASN 156 CO 0.12 0.07 0.67 -0.62 -2.79 0.00 0.00 177.10 174.55 3fk3 n GLU 157 N 3.31 -2.24 -2.30 0.43 1.02 -0.32 -4.94 120.64 115.59 3fk3 n GLU 157 Ca -0.09 0.46 -0.36 0.00 -0.02 0.00 0.00 57.16 57.15 3fk3 n GLU 157 Cb 0.52 -4.35 -0.01 0.00 -0.02 0.00 0.00 31.44 27.58 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 -6.16 3.64 0.73 3.49 0.04 -1.26 -5.02 135.00 130.46 3fk3 s PRO 158 Ca 0.28 1.67 -0.11 0.00 0.04 0.00 0.00 61.00 62.88 3fk3 s PRO 158 Cb -0.10 -2.24 0.03 0.00 0.04 0.00 0.00 34.50 32.22 3fk3 s PRO 158 CO 0.86 -0.62 1.07 0.54 0.04 0.00 0.00 177.00 178.89 3fk3 s ASN 159 N -1.57 5.12 0.25 6.66 2.20 -1.26 -4.84 114.94 121.50 3fk3 s ASN 159 Ca 0.67 1.51 -0.04 0.00 -0.94 0.00 0.00 52.86 54.07 3fk3 s ASN 159 Cb -0.25 -2.35 0.40 0.00 -2.00 0.00 0.00 41.25 37.05 3fk3 s ASN 159 CO 0.30 -1.60 1.83 -0.08 -2.94 0.00 0.00 177.10 174.62 3fk3 h GLU 160 N -0.83 0.89 -0.44 3.55 4.81 -1.96 -0.70 114.58 119.90 3fk3 h GLU 160 Ca -0.45 -0.05 -0.08 0.00 -0.13 0.00 0.00 59.36 58.65 3fk3 h GLU 160 Cb 1.23 -0.20 -0.02 0.00 0.63 0.00 0.00 28.75 30.39 3fk3 h GLU 160 CO 0.58 0.59 -0.02 0.93 -0.73 0.00 0.00 179.01 180.35 3fk3 h GLU 161 N 0.92 0.79 -0.04 1.92 4.39 -1.93 -2.51 114.58 118.12 3fk3 h GLU 161 Ca 0.41 -0.26 -0.14 0.00 0.34 0.00 0.00 59.36 59.70 3fk3 h GLU 161 Cb 0.30 -0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 28.87 3fk3 h GLU 161 CO -0.22 0.87 -0.63 0.35 -1.16 0.00 0.00 179.01 178.22 3fk3 h PHE 162 N 0.63 0.20 -0.70 4.33 3.57 -1.70 -2.99 116.94 120.27 3fk3 h PHE 162 Ca 0.12 -0.08 0.03 0.00 3.53 0.00 0.00 57.97 61.57 3fk3 h PHE 162 Cb 0.52 -0.03 -0.04 0.00 2.79 0.00 0.00 35.95 39.19 3fk3 h PHE 162 CO 0.04 0.73 0.44 0.35 -2.23 0.00 0.00 178.31 177.65 3fk3 h PHE 163 N 0.11 0.83 -0.52 0.41 3.57 -0.98 -0.54 116.94 119.81 3fk3 h PHE 163 Ca -0.01 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.52 3fk3 h PHE 163 Cb 1.13 -0.27 -0.03 0.00 2.79 0.00 0.00 35.95 39.57 3fk3 h PHE 163 CO 0.01 0.48 0.34 -0.22 -2.23 0.00 0.00 178.31 176.70 3fk3 h LYS 164 N 0.87 0.69 -0.10 1.11 3.64 -1.31 -2.79 116.57 118.67 3fk3 h LYS 164 Ca 0.28 -0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 59.62 3fk3 h LYS 164 Cb 0.01 -0.16 -0.00 0.00 -0.41 0.00 0.00 32.23 31.67 3fk3 h LYS 164 CO -0.10 0.47 0.06 0.82 -2.27 0.00 0.00 179.45 178.42 3fk3 h ILE 165 N 0.71 1.07 0.00 2.00 2.04 -1.37 -1.29 117.51 120.67 3fk3 h ILE 165 Ca 0.19 -0.18 0.00 0.00 1.00 0.00 0.00 64.86 65.88 3fk3 h ILE 165 Cb -0.07 1.00 0.00 0.00 -0.74 0.00 0.00 36.82 37.00 3fk3 h ILE 165 CO -0.04 0.06 0.00 0.18 0.00 0.00 0.00 178.15 178.35 3fk3 n LEU 166 N -4.99 0.00 0.00 1.44 4.32 -0.24 -3.43 117.00 114.11 3fk3 n LEU 166 Ca -0.05 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.94 3fk3 n LEU 166 Cb 0.06 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 41.86 3fk3 n LEU 166 CO 0.34 0.00 0.00 -1.54 -1.22 0.00 0.00 177.39 174.97 3fk3 n SER 168 N 0.54 0.00 0.00 -1.43 3.41 -0.49 -5.10 113.62 110.55 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 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 3fk3 n SER 168 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42