#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 0.25 0.02 4.61 0.00 -1.26 -5.16 121.76 120.22 3fk3 s ALA 7 Ca 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 51.96 51.80 3fk3 s ALA 7 Cb 0.00 -0.05 -0.02 0.00 0.00 0.00 0.00 23.12 23.05 3fk3 s ALA 7 CO 0.00 0.05 -0.03 1.03 0.00 0.00 0.00 175.76 176.81 3fk3 s ARG 8 N -0.15 0.28 -0.05 0.00 0.52 -1.26 -5.14 118.95 113.16 3fk3 s ARG 8 Ca 0.00 -0.55 -0.24 0.00 -0.52 0.00 0.00 55.73 54.42 3fk3 s ARG 8 Cb -0.02 0.09 -0.04 0.00 0.52 0.00 0.00 34.95 35.51 3fk3 s ARG 8 CO -0.00 -0.04 0.72 0.42 0.02 0.00 0.00 175.30 176.41 3fk3 s ILE 9 N -1.32 5.01 0.06 1.52 1.01 -1.26 -5.06 121.20 121.16 3fk3 s ILE 9 Ca -0.14 1.48 -0.00 0.00 0.00 0.00 0.00 60.65 61.99 3fk3 s ILE 9 Cb -0.09 -4.06 -0.04 0.00 0.01 0.00 0.00 42.46 38.29 3fk3 s ILE 9 CO -0.01 0.26 -0.04 -0.75 0.00 0.00 0.00 174.94 174.40 3fk3 s LYS 10 N 0.70 0.62 0.23 2.79 2.20 -1.26 -5.13 119.74 119.88 3fk3 s LYS 10 Ca 0.38 -1.13 -0.31 0.00 -0.36 0.00 0.00 55.97 54.55 3fk3 s LYS 10 Cb -0.18 0.06 -0.11 0.00 -1.51 0.00 0.00 37.83 36.09 3fk3 s LYS 10 CO 0.19 -0.07 1.64 0.99 -0.36 0.00 0.00 175.35 177.74 3fk3 s THR 11 N -3.34 2.19 0.16 3.43 2.01 -1.26 -4.97 115.64 113.86 3fk3 s THR 11 Ca 0.04 0.14 -0.30 0.00 0.31 0.00 0.00 61.69 61.88 3fk3 s THR 11 Cb 0.04 -3.09 -0.08 0.00 0.01 0.00 0.00 72.50 69.38 3fk3 s THR 11 CO -0.07 0.02 1.25 -0.22 -0.69 0.00 0.00 174.62 174.91 3fk3 s LEU 12 N 0.58 4.42 0.00 4.42 2.96 -1.26 -4.95 118.68 124.85 3fk3 s LEU 12 Ca 0.70 2.26 -0.02 0.00 -0.22 0.00 0.00 54.13 56.84 3fk3 s LEU 12 Cb -0.48 -3.60 -0.01 0.00 0.50 0.00 0.00 46.19 42.61 3fk3 s LEU 12 CO 0.37 -0.46 0.04 -0.94 -1.32 0.00 0.00 176.35 174.05 3fk3 s SER 13 N 0.42 0.08 -0.04 3.68 1.04 -1.26 -0.91 113.70 116.71 3fk3 s SER 13 Ca 0.56 -0.21 0.03 0.00 0.48 0.00 0.00 55.95 56.81 3fk3 s SER 13 Cb -0.34 0.13 0.01 0.00 0.10 0.00 0.00 66.02 65.92 3fk3 s SER 13 CO 0.35 -0.22 -0.11 -0.69 0.98 0.00 0.00 173.24 173.56 3fk3 s VAL 14 N -0.90 0.94 -0.03 5.02 1.01 -0.36 -4.95 120.40 121.12 3fk3 s VAL 14 Ca -0.10 -0.42 -0.01 0.00 0.00 0.00 0.00 61.98 61.45 3fk3 s VAL 14 Cb -0.06 -0.85 -0.04 0.00 0.00 0.00 0.00 36.38 35.44 3fk3 s VAL 14 CO -0.00 0.30 0.07 -0.44 0.00 0.00 0.00 175.10 175.02 3fk3 s SER 15 N 0.35 5.64 -0.11 3.32 0.01 -1.26 -0.01 113.70 121.64 3fk3 s SER 15 Ca -0.07 0.17 -0.01 0.00 1.31 0.00 0.00 55.95 57.35 3fk3 s SER 15 Cb -0.11 -1.63 0.03 0.00 0.21 0.00 0.00 66.02 64.52 3fk3 s SER 15 CO 0.01 0.30 -0.04 -0.13 0.41 0.00 0.00 173.24 173.80 3fk3 s ARG 16 N -1.52 1.10 0.44 12.44 1.81 -0.09 -4.99 118.95 128.13 3fk3 s ARG 16 Ca 0.20 -0.14 -0.25 0.00 -1.72 0.00 0.00 55.73 53.82 3fk3 s ARG 16 Cb -0.12 -1.40 -0.08 0.00 -0.45 0.00 0.00 34.95 32.90 3fk3 s ARG 16 CO 0.11 -0.32 1.39 -1.25 -0.68 0.00 0.00 175.30 174.55 3fk3 s PRO 17 N 1.82 3.73 0.01 3.54 0.04 -1.26 -0.81 135.00 142.06 3fk3 s PRO 17 Ca 0.04 2.33 0.01 0.00 0.04 0.00 0.00 61.00 63.42 3fk3 s PRO 17 Cb -0.13 -2.65 -0.01 0.00 0.04 0.00 0.00 34.50 31.75 3fk3 s PRO 17 CO -0.07 -0.75 -0.03 -1.50 0.04 0.00 0.00 177.00 174.69 3fk3 s ILE 18 N -1.23 0.16 -0.10 0.56 1.10 -0.45 -4.66 121.20 116.59 3fk3 s ILE 18 Ca 0.61 -0.36 0.04 0.00 -0.51 0.00 0.00 60.65 60.43 3fk3 s ILE 18 Cb -0.42 -0.19 -0.00 0.00 0.15 0.00 0.00 42.46 42.00 3fk3 s ILE 18 CO 0.54 -0.13 -0.24 -0.63 -2.11 0.00 0.00 174.94 172.37 3fk3 s ILE 19 N -0.49 2.05 0.09 2.00 1.01 0.55 -1.49 121.20 124.92 3fk3 s ILE 19 Ca -0.04 -1.02 -0.15 0.00 0.00 0.00 0.00 60.65 59.44 3fk3 s ILE 19 Cb -0.04 -1.76 0.03 0.00 0.01 0.00 0.00 42.46 40.70 3fk3 s ILE 19 CO -0.00 0.56 0.35 -0.72 0.00 0.00 0.00 174.94 175.13 3fk3 s TYR 20 N 0.29 -0.14 -5.00 3.97 -0.85 -0.56 0.76 117.35 115.83 3fk3 s TYR 20 Ca -0.17 -0.11 0.00 0.00 -0.52 0.00 0.00 57.07 56.27 3fk3 s TYR 20 Cb -0.18 0.17 0.00 0.00 0.38 0.00 0.00 41.96 42.34 3fk3 s TYR 20 CO 0.08 -0.62 0.00 0.41 -1.52 0.00 0.00 175.55 173.91 3fk3 n GLY 21 N 0.08 0.61 3.01 5.49 0.00 -0.81 0.06 105.19 113.63 3fk3 n GLY 21 Ca -0.17 -1.55 -0.09 0.00 0.00 0.00 0.00 46.02 44.22 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 0.24 0.26 1.61 4.22 -0.00 -1.25 114.94 116.02 3fk3 s ASN 22 Ca 0.00 -0.53 0.09 0.00 -2.14 0.00 0.00 52.86 50.28 3fk3 s ASN 22 Cb 0.00 0.13 -0.04 0.00 1.28 0.00 0.00 41.25 42.62 3fk3 s ASN 22 CO 0.00 -0.35 0.04 0.42 -2.04 0.00 0.00 177.10 175.17 3fk3 s THR 23 N -1.78 3.69 -0.01 0.54 -4.23 -0.65 -0.69 115.64 112.51 3fk3 s THR 23 Ca -0.13 -1.79 -0.14 0.00 -1.18 0.00 0.00 61.69 58.45 3fk3 s THR 23 Cb -0.07 -2.98 0.02 0.00 1.34 0.00 0.00 72.50 70.81 3fk3 s THR 23 CO -0.02 -0.37 0.29 0.00 -0.54 0.00 0.00 174.62 173.98 3fk3 s ALA 24 N -2.28 -0.73 0.00 3.99 0.00 0.14 -1.58 121.76 121.31 3fk3 s ALA 24 Ca 0.32 0.24 0.00 0.00 0.00 0.00 0.00 51.96 52.52 3fk3 s ALA 24 Cb -0.07 0.11 -0.00 0.00 0.00 0.00 0.00 23.12 23.15 3fk3 s ALA 24 CO 0.21 -0.27 -0.01 0.21 0.00 0.00 0.00 175.76 175.90 3fk3 s LYS 25 N -1.46 0.10 0.00 0.00 2.20 0.71 -1.01 119.74 120.27 3fk3 s LYS 25 Ca -0.13 -0.12 0.00 0.00 -0.36 0.00 0.00 55.97 55.36 3fk3 s LYS 25 Cb -0.05 -0.03 0.00 0.00 -1.51 0.00 0.00 37.83 36.24 3fk3 s LYS 25 CO 0.03 0.01 0.00 1.17 -0.36 0.00 0.00 175.35 176.20 3fk3 n LYS 26 N 2.82 -0.35 0.00 4.03 4.81 -1.26 -0.40 118.16 127.81 3fk3 n LYS 26 Ca -0.14 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.30 3fk3 n LYS 26 Cb 0.59 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.64 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 4.09 -1.43 0.48 3.14 0.00 -1.26 -4.88 105.19 105.33 3fk3 n GLY 28 Ca 0.00 0.50 -0.00 0.00 0.00 0.00 0.00 46.02 46.52 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 0.00 2.08 -4.44 1.61 3.41 -1.26 -5.03 113.62 109.99 3fk3 n SER 29 Ca 0.00 0.00 -0.35 0.00 -0.26 0.00 0.00 58.87 58.26 3fk3 n SER 29 Cb 0.00 -0.00 -0.13 0.00 -0.26 0.00 0.00 64.21 63.82 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 -2.00 3.88 0.29 -3.33 1.01 -1.26 -5.11 120.40 113.88 3fk3 s VAL 30 Ca -0.00 -0.34 0.07 0.00 0.00 0.00 0.00 61.98 61.71 3fk3 s VAL 30 Cb 0.00 -2.74 -0.03 0.00 0.00 0.00 0.00 36.38 33.61 3fk3 s VAL 30 CO 0.00 0.44 0.28 -0.54 0.00 0.00 0.00 175.10 175.29 3fk3 s LYS 31 N 0.93 2.93 1.15 2.72 1.02 -1.26 -5.13 119.74 122.09 3fk3 s LYS 31 Ca 0.01 -1.11 -0.15 0.00 0.02 0.00 0.00 55.97 54.74 3fk3 s LYS 31 Cb -0.14 -2.60 0.26 0.00 -0.52 0.00 0.00 37.83 34.83 3fk3 s LYS 31 CO 0.02 0.25 1.06 -2.14 -0.92 0.00 0.00 175.35 173.61 3fk3 s PRO 32 N -3.96 -0.77 -0.01 -1.68 0.02 -1.26 -5.01 135.00 122.33 3fk3 s PRO 32 Ca 0.38 0.40 -0.23 0.00 0.02 0.00 0.00 61.00 61.57 3fk3 s PRO 32 Cb -0.07 -1.61 -0.15 0.00 0.02 0.00 0.00 34.50 32.69 3fk3 s PRO 32 CO 0.27 -3.51 1.05 -1.00 -0.33 0.00 0.00 177.00 173.47 3fk3 h PRO 33 N -2.45 -0.50 -0.85 5.54 0.13 -2.04 -3.35 132.00 128.48 3fk3 h PRO 33 Ca -0.54 0.03 -0.60 0.00 -0.87 0.00 0.00 66.00 64.03 3fk3 h PRO 33 Cb 1.33 0.11 -0.38 0.00 0.13 0.00 0.00 31.00 32.19 3fk3 h PRO 33 CO 0.48 -0.18 -0.17 0.09 -0.23 0.00 0.00 178.00 177.98 3fk3 n ASN 34 N -5.15 6.00 -4.76 1.44 3.02 -1.26 -5.01 115.26 109.53 3fk3 n ASN 34 Ca -0.09 -3.77 -0.39 0.00 -0.03 0.00 0.00 54.58 50.31 3fk3 n ASN 34 Cb 0.28 -0.59 -0.06 0.00 -0.61 0.00 0.00 39.78 38.81 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 -3.69 3.49 0.16 5.41 0.00 -1.26 -5.03 121.76 120.84 3fk3 s ALA 35 Ca 0.56 -0.00 -0.34 0.00 0.00 0.00 0.00 51.96 52.18 3fk3 s ALA 35 Cb 0.45 -2.72 -0.16 0.00 0.00 0.00 0.00 23.12 20.69 3fk3 s ALA 35 CO 0.02 0.16 1.22 -2.30 0.00 0.00 0.00 175.76 174.86 3fk3 n PRO 36 N 2.81 1.23 0.05 0.00 -0.02 -1.26 -4.87 135.00 132.94 3fk3 n PRO 36 Ca -0.07 0.44 0.05 0.00 -2.02 0.00 0.00 63.50 61.90 3fk3 n PRO 36 Cb 0.51 -1.98 0.46 0.00 -0.02 0.00 0.00 33.50 32.47 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 3.72 1.76 -0.06 3.55 0.00 -2.01 -2.40 119.26 123.82 3fk3 h ALA 37 Ca -0.44 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.44 3fk3 h ALA 37 Cb 1.34 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.99 3fk3 h ALA 37 CO 0.72 0.23 0.00 0.39 0.00 0.00 0.00 179.25 180.59 3fk3 n GLU 38 N -4.48 1.68 -2.22 0.00 -0.58 -1.26 -4.88 120.64 108.89 3fk3 n GLU 38 Ca 0.02 -1.00 -0.41 0.00 -0.42 0.00 0.00 57.16 55.35 3fk3 n GLU 38 Cb 0.07 -1.45 -0.03 0.00 -0.57 0.00 0.00 31.44 29.45 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 -1.93 3.24 -0.03 -0.32 3.76 -0.90 -4.77 115.29 114.32 3fk3 s HIS 39 Ca 0.36 1.35 0.08 0.00 -0.15 0.00 0.00 55.06 56.70 3fk3 s HIS 39 Cb 0.20 -3.58 -0.12 0.00 1.11 0.00 0.00 32.58 30.18 3fk3 s HIS 39 CO 0.31 -1.69 0.14 0.25 -0.85 0.00 0.00 174.74 172.90 3fk3 n THR 40 N 1.86 0.14 -4.30 1.30 -2.24 -0.07 -4.90 114.28 106.08 3fk3 n THR 40 Ca 0.03 -0.23 -0.24 0.00 -2.27 0.00 0.00 64.05 61.34 3fk3 n THR 40 Cb 0.43 0.02 -0.13 0.00 -2.10 0.00 0.00 70.33 68.55 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 -2.48 1.80 -0.12 4.78 3.76 0.40 -4.35 115.29 119.07 3fk3 s HIS 41 Ca -0.03 -0.42 -0.07 0.00 -0.15 0.00 0.00 55.06 54.39 3fk3 s HIS 41 Cb 0.05 -0.99 -0.04 0.00 1.11 0.00 0.00 32.58 32.71 3fk3 s HIS 41 CO 0.34 0.20 0.15 -0.51 -0.85 0.00 0.00 174.74 174.08 3fk3 s LEU 42 N -1.89 4.38 -0.00 0.89 1.43 0.47 -1.29 118.68 122.66 3fk3 s LEU 42 Ca 0.07 0.47 -0.07 0.00 -1.03 0.00 0.00 54.13 53.57 3fk3 s LEU 42 Cb -0.10 -2.09 0.00 0.00 0.03 0.00 0.00 46.19 44.04 3fk3 s LEU 42 CO 0.04 0.39 0.13 -1.66 0.23 0.00 0.00 176.35 175.48 3fk3 s TRP 43 N -0.93 0.03 -0.13 0.29 1.48 0.38 -0.21 118.94 119.84 3fk3 s TRP 43 Ca 0.15 -0.09 0.02 0.00 -1.06 0.00 0.00 56.10 55.12 3fk3 s TRP 43 Cb -0.12 -0.04 0.01 0.00 -1.16 0.00 0.00 33.47 32.16 3fk3 s TRP 43 CO 0.04 -0.25 -0.19 0.99 -4.06 0.00 0.00 176.95 173.48 3fk3 s THR 44 N -1.20 1.80 -0.12 0.66 2.01 -0.61 -0.42 115.64 117.76 3fk3 s THR 44 Ca -0.13 -0.82 -0.05 0.00 0.31 0.00 0.00 61.69 61.00 3fk3 s THR 44 Cb -0.07 -1.62 -0.04 0.00 0.01 0.00 0.00 72.50 70.78 3fk3 s THR 44 CO 0.01 0.50 0.09 -0.51 -0.69 0.00 0.00 174.62 174.02 3fk3 s ILE 45 N 0.97 5.06 0.06 1.82 1.10 -0.17 -1.64 121.20 128.40 3fk3 s ILE 45 Ca -0.05 0.04 -0.19 0.00 -0.51 0.00 0.00 60.65 59.95 3fk3 s ILE 45 Cb -0.15 -3.19 0.04 0.00 0.15 0.00 0.00 42.46 39.31 3fk3 s ILE 45 CO -0.03 0.60 0.43 0.72 -2.11 0.00 0.00 174.94 174.55 3fk3 s PHE 46 N -0.83 -0.29 -0.10 3.50 -0.12 -0.38 -0.93 117.98 118.84 3fk3 s PHE 46 Ca 0.13 0.22 0.01 0.00 -0.05 0.00 0.00 56.93 57.25 3fk3 s PHE 46 Cb -0.12 0.25 0.02 0.00 -0.63 0.00 0.00 43.02 42.54 3fk3 s PHE 46 CO 0.03 -0.61 -0.12 0.08 -0.05 0.00 0.00 175.22 174.55 3fk3 s VAL 47 N -2.68 1.28 0.26 -2.49 1.01 -0.21 -1.93 120.40 115.64 3fk3 s VAL 47 Ca -0.04 -0.51 -0.04 0.00 0.00 0.00 0.00 61.98 61.40 3fk3 s VAL 47 Cb -0.00 -1.20 -0.02 0.00 0.00 0.00 0.00 36.38 35.15 3fk3 s VAL 47 CO -0.04 0.40 0.31 0.00 0.00 0.00 0.00 175.10 175.77 3fk3 s ARG 48 N 1.10 1.50 0.34 2.72 1.70 0.23 -4.09 118.95 122.45 3fk3 s ARG 48 Ca -0.05 -1.60 0.04 0.00 -0.47 0.00 0.00 55.73 53.64 3fk3 s ARG 48 Cb -0.14 0.37 -0.02 0.00 -0.57 0.00 0.00 34.95 34.58 3fk3 s ARG 48 CO -0.02 -0.57 0.50 0.20 -1.08 0.00 0.00 175.30 174.33 3fk3 s GLY 49 N -3.16 1.43 0.40 3.88 0.00 -1.25 -0.33 107.32 108.29 3fk3 s GLY 49 Ca 0.33 -1.20 -0.27 0.00 0.00 0.00 0.00 44.72 43.58 3fk3 s GLY 49 CO 0.15 -1.12 1.47 2.56 0.00 0.00 0.00 173.10 176.15 3fk3 s PRO 50 N -4.24 3.98 -1.90 2.90 0.04 -1.26 -1.41 135.00 133.11 3fk3 s PRO 50 Ca 0.42 2.53 0.00 0.00 0.04 0.00 0.00 61.00 63.99 3fk3 s PRO 50 Cb -0.09 -2.87 0.00 0.00 0.04 0.00 0.00 34.50 31.57 3fk3 s PRO 50 CO 0.33 -0.62 0.00 1.04 0.04 0.00 0.00 177.00 177.79 3fk3 n GLN 51 N 0.26 -1.46 -2.44 4.56 3.00 -1.26 -2.01 117.38 118.02 3fk3 n GLN 51 Ca 0.02 1.13 -0.18 0.00 -0.01 0.00 0.00 57.00 57.96 3fk3 n GLN 51 Cb 0.40 -5.50 -0.01 0.00 0.00 0.00 0.00 30.24 25.14 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 -1.23 -5.30 -4.79 1.08 5.15 -0.50 -4.98 115.26 104.68 3fk3 n ASN 52 Ca -0.18 0.03 -0.33 0.00 -0.60 0.00 0.00 54.58 53.51 3fk3 n ASN 52 Cb 0.64 -4.43 0.02 0.00 -0.53 0.00 0.00 39.78 35.49 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 -5.07 3.12 0.25 1.20 -1.05 -0.85 -4.82 118.70 111.47 3fk3 s GLU 53 Ca 0.01 1.28 -0.31 0.00 -0.15 0.00 0.00 54.97 55.81 3fk3 s GLU 53 Cb -0.01 -2.00 -0.13 0.00 -0.44 0.00 0.00 34.13 31.55 3fk3 s GLU 53 CO 0.02 -0.98 1.38 -3.47 0.95 0.00 0.00 175.26 173.15 3fk3 n ASP 54 N -2.17 2.66 0.00 0.83 2.03 -1.26 -3.74 116.55 114.90 3fk3 n ASP 54 Ca 0.09 1.15 0.00 0.00 0.52 0.00 0.00 54.79 56.55 3fk3 n ASP 54 Cb 0.52 -1.42 0.00 0.00 -0.72 0.00 0.00 41.12 39.50 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 1.68 0.00 0.28 5.18 -5.35 -1.26 -4.75 119.36 115.14 3fk3 n ILE 55 Ca 0.11 -0.44 0.08 0.00 -0.27 0.00 0.00 62.75 62.23 3fk3 n ILE 55 Cb 0.32 1.03 0.36 0.00 -1.74 0.00 0.00 39.64 39.61 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 -0.63 0.33 0.20 7.28 3.41 -1.26 -0.85 113.62 122.10 3fk3 n SER 56 Ca 0.00 0.61 0.06 0.00 -0.26 0.00 0.00 58.87 59.28 3fk3 n SER 56 Cb 0.01 -0.67 0.43 0.00 -0.26 0.00 0.00 64.21 63.72 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 -3.32 116.97 119.00 3fk3 h TYR 57 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 58.73 58.67 3fk3 h TYR 57 Cb 0.17 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 36.89 3fk3 h TYR 57 CO 0.00 0.32 -1.30 1.97 -0.00 0.00 0.00 178.16 179.15 3fk3 n PHE 58 N -3.82 0.00 -3.42 0.10 1.16 -0.81 -4.87 117.46 105.80 3fk3 n PHE 58 Ca -0.01 0.00 -0.39 0.00 -1.87 0.00 0.00 57.45 55.18 3fk3 n PHE 58 Cb 0.40 -0.20 -0.09 0.00 -1.61 0.00 0.00 39.48 37.98 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 -2.20 5.19 -0.03 1.97 1.01 -0.03 0.14 121.20 127.25 3fk3 s ILE 59 Ca -0.02 0.47 -0.18 0.00 0.00 0.00 0.00 60.65 60.91 3fk3 s ILE 59 Cb 0.02 -3.69 -0.32 0.00 0.01 0.00 0.00 42.46 38.48 3fk3 s ILE 59 CO 0.20 0.14 0.86 0.50 0.00 0.00 0.00 174.94 176.65 3fk3 h LYS 60 N 8.23 0.39 -2.36 2.79 3.64 -0.55 -3.37 116.57 125.35 3fk3 h LYS 60 Ca -0.32 -0.67 -0.08 0.00 -1.27 0.00 0.00 60.65 58.31 3fk3 h LYS 60 Cb 1.16 0.25 -0.21 0.00 -0.41 0.00 0.00 32.23 33.02 3fk3 h LYS 60 CO 0.64 1.32 -0.01 0.21 -2.27 0.00 0.00 179.45 179.34 3fk3 s LYS 61 N -2.51 0.79 -0.09 1.90 2.20 -0.80 -4.63 119.74 116.60 3fk3 s LYS 61 Ca -0.13 0.46 0.02 0.00 -0.36 0.00 0.00 55.97 55.96 3fk3 s LYS 61 Cb 0.03 0.38 0.02 0.00 -1.51 0.00 0.00 37.83 36.74 3fk3 s LYS 61 CO 0.87 -0.17 -0.12 0.08 -0.36 0.00 0.00 175.35 175.64 3fk3 s VAL 62 N -0.44 1.23 -0.14 4.02 1.01 -0.58 -0.17 120.40 125.33 3fk3 s VAL 62 Ca -0.06 -0.50 -0.01 0.00 0.00 0.00 0.00 61.98 61.41 3fk3 s VAL 62 Cb -0.03 -1.14 -0.02 0.00 0.00 0.00 0.00 36.38 35.19 3fk3 s VAL 62 CO 0.04 0.38 -0.10 -0.69 0.00 0.00 0.00 175.10 174.74 3fk3 s VAL 63 N 0.91 3.27 -0.33 2.92 1.01 0.10 -0.58 120.40 127.71 3fk3 s VAL 63 Ca -0.09 -0.58 -0.07 0.00 0.00 0.00 0.00 61.98 61.24 3fk3 s VAL 63 Cb -0.15 -2.40 0.03 0.00 0.00 0.00 0.00 36.38 33.86 3fk3 s VAL 63 CO 0.01 0.51 0.12 -0.36 0.00 0.00 0.00 175.10 175.37 3fk3 s PHE 64 N 0.46 3.23 -0.36 5.22 0.40 -0.16 0.06 117.98 126.83 3fk3 s PHE 64 Ca -0.08 -1.24 -0.23 0.00 -0.60 0.00 0.00 56.93 54.78 3fk3 s PHE 64 Cb -0.15 -2.30 0.01 0.00 0.51 0.00 0.00 43.02 41.09 3fk3 s PHE 64 CO 0.04 -0.68 0.77 0.21 0.70 0.00 0.00 175.22 176.27 3fk3 s LYS 65 N 1.45 3.77 0.48 0.44 2.47 -0.16 -1.82 119.74 126.37 3fk3 s LYS 65 Ca -0.00 0.32 0.04 0.00 -1.56 0.00 0.00 55.97 54.77 3fk3 s LYS 65 Cb -0.19 -3.80 0.02 0.00 -1.46 0.00 0.00 37.83 32.40 3fk3 s LYS 65 CO 0.03 -0.83 0.67 -0.51 0.16 0.00 0.00 175.35 174.87 3fk3 s LEU 66 N 3.06 3.51 0.28 5.43 1.43 0.62 -2.51 118.68 130.50 3fk3 s LEU 66 Ca 0.31 -0.15 -0.30 0.00 -1.03 0.00 0.00 54.13 52.97 3fk3 s LEU 66 Cb -0.13 -2.81 -0.13 0.00 0.03 0.00 0.00 46.19 43.15 3fk3 s LEU 66 CO 0.16 -0.91 1.34 1.57 0.23 0.00 0.00 176.35 178.75 3fk3 n HIS 67 N -2.08 2.17 0.47 0.29 -0.00 -1.26 -4.85 115.22 109.96 3fk3 n HIS 67 Ca 0.07 0.49 0.05 0.00 -0.00 0.00 0.00 57.72 58.33 3fk3 n HIS 67 Cb 0.59 -2.43 0.25 0.00 -0.00 0.00 0.00 29.99 28.39 3fk3 n HIS 67 CO 0.00 0.00 0.00 -0.25 -0.00 0.00 0.00 176.34 176.09 3fk3 n ASP 68 N 1.56 0.00 0.06 0.26 9.92 -1.26 -0.74 116.55 126.34 3fk3 n ASP 68 Ca 0.09 0.07 0.10 0.00 -0.53 0.00 0.00 54.79 54.51 3fk3 n ASP 68 Cb 0.33 -0.23 0.40 0.00 -0.64 0.00 0.00 41.12 40.98 3fk3 n ASP 68 CO 0.00 0.00 0.00 0.35 0.13 0.00 0.00 177.20 177.68 3fk3 n THR 69 N -1.23 0.89 -3.35 -3.53 -2.24 -1.26 -4.73 114.28 98.82 3fk3 n THR 69 Ca 0.05 0.22 -0.38 0.00 -2.27 0.00 0.00 64.05 61.67 3fk3 n THR 69 Cb 0.07 -1.05 -0.06 0.00 -2.10 0.00 0.00 70.33 67.18 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 -3.15 3.78 0.28 4.78 1.51 0.08 -5.07 117.35 119.56 3fk3 s TYR 70 Ca 0.06 1.18 -0.29 0.00 -1.01 0.00 0.00 57.07 57.00 3fk3 s TYR 70 Cb 0.10 -2.42 -0.10 0.00 -0.11 0.00 0.00 41.96 39.43 3fk3 s TYR 70 CO 0.34 0.60 1.28 -1.25 -1.11 0.00 0.00 175.55 175.41 3fk3 s PRO 71 N -1.12 4.41 -0.95 -1.71 0.04 -1.26 -3.66 135.00 130.74 3fk3 s PRO 71 Ca 0.27 2.10 -0.11 0.00 0.04 0.00 0.00 61.00 63.30 3fk3 s PRO 71 Cb -0.18 -3.13 0.00 0.00 0.04 0.00 0.00 34.50 31.23 3fk3 s PRO 71 CO 0.17 -0.14 0.69 0.09 0.04 0.00 0.00 177.00 177.85 3fk3 n ASN 72 N 1.47 -5.48 0.08 6.66 3.02 -1.26 -4.85 115.26 114.90 3fk3 n ASN 72 Ca 0.02 -0.85 0.10 0.00 -0.03 0.00 0.00 54.58 53.81 3fk3 n ASN 72 Cb 0.43 -2.88 0.41 0.00 -0.61 0.00 0.00 39.78 37.13 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 -3.23 0.11 -2.94 3.52 -0.04 -1.24 -4.30 135.00 126.88 3fk3 n PRO 73 Ca -0.16 0.36 -0.43 0.00 -0.04 0.00 0.00 63.50 63.22 3fk3 n PRO 73 Cb 0.61 -1.72 -0.05 0.00 -0.04 0.00 0.00 33.50 32.30 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 -3.19 4.55 -0.32 0.52 1.01 -1.26 -0.28 120.40 121.43 3fk3 s VAL 74 Ca 0.05 0.10 -0.04 0.00 0.00 0.00 0.00 61.98 62.09 3fk3 s VAL 74 Cb 0.09 -4.45 0.05 0.00 0.00 0.00 0.00 36.38 32.07 3fk3 s VAL 74 CO 0.33 -0.98 0.06 -0.13 0.00 0.00 0.00 175.10 174.38 3fk3 s ARG 75 N 3.52 2.51 -0.32 2.72 1.81 -0.75 -4.99 118.95 123.44 3fk3 s ARG 75 Ca 0.26 -1.24 -0.16 0.00 -1.72 0.00 0.00 55.73 52.87 3fk3 s ARG 75 Cb -0.14 -3.33 -0.02 0.00 -0.45 0.00 0.00 34.95 31.01 3fk3 s ARG 75 CO 0.18 -0.66 0.40 0.45 -0.68 0.00 0.00 175.30 174.99 3fk3 s SER 76 N 1.35 6.23 -0.33 0.23 0.15 -1.26 -0.98 113.70 119.09 3fk3 s SER 76 Ca -0.03 -0.03 -0.12 0.00 0.70 0.00 0.00 55.95 56.46 3fk3 s SER 76 Cb -0.20 -2.22 -0.02 0.00 -1.71 0.00 0.00 66.02 61.88 3fk3 s SER 76 CO 0.01 -0.33 0.22 -0.63 1.20 0.00 0.00 173.24 173.71 3fk3 s ILE 77 N 2.13 5.15 -1.53 6.45 -1.09 0.26 -4.96 121.20 127.60 3fk3 s ILE 77 Ca 0.14 -0.24 0.20 0.00 -2.23 0.00 0.00 60.65 58.52 3fk3 s ILE 77 Cb -0.16 -3.63 -0.08 0.00 -1.58 0.00 0.00 42.46 37.00 3fk3 s ILE 77 CO 0.12 0.02 0.95 -0.62 -1.23 0.00 0.00 174.94 174.17 3fk3 n GLU 78 N 5.08 1.07 -3.76 2.79 -0.58 -1.26 -1.52 120.64 122.46 3fk3 n GLU 78 Ca -0.13 -0.60 -0.13 0.00 -0.42 0.00 0.00 57.16 55.87 3fk3 n GLU 78 Cb 0.50 -1.42 -0.09 0.00 -0.57 0.00 0.00 31.44 29.86 3fk3 n GLU 78 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3fk3 s ALA 79 N -2.50 -0.80 0.60 0.62 0.00 -1.26 -4.78 121.76 113.64 3fk3 s ALA 79 Ca 0.13 0.38 -0.18 0.00 0.00 0.00 0.00 51.96 52.29 3fk3 s ALA 79 Cb 0.16 0.04 -0.03 0.00 0.00 0.00 0.00 23.12 23.29 3fk3 s ALA 79 CO 0.62 -0.26 1.14 -1.25 0.00 0.00 0.00 175.76 176.02 3fk3 s PRO 80 N -1.23 3.02 0.30 0.00 0.04 -1.26 -4.19 135.00 131.67 3fk3 s PRO 80 Ca -0.13 1.60 -0.29 0.00 0.04 0.00 0.00 61.00 62.22 3fk3 s PRO 80 Cb -0.05 -1.96 -0.10 0.00 0.04 0.00 0.00 34.50 32.43 3fk3 s PRO 80 CO 0.04 -1.12 1.35 -1.25 0.04 0.00 0.00 177.00 176.07 3fk3 s PRO 81 N -3.59 4.32 -1.40 0.56 0.04 -1.26 -5.06 135.00 128.61 3fk3 s PRO 81 Ca 0.72 2.25 -0.14 0.00 0.04 0.00 0.00 61.00 63.87 3fk3 s PRO 81 Cb -0.24 -3.09 0.07 0.00 0.04 0.00 0.00 34.50 31.28 3fk3 s PRO 81 CO 0.34 -0.28 2.07 1.19 0.04 0.00 0.00 177.00 180.36 3fk3 n PHE 82 N 1.37 3.65 -4.10 0.56 3.01 -1.26 -4.88 117.46 115.81 3fk3 n PHE 82 Ca 0.02 -2.94 -0.09 0.00 1.01 0.00 0.00 57.45 55.46 3fk3 n PHE 82 Cb 0.41 -2.45 -0.10 0.00 -0.01 0.00 0.00 39.48 37.33 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 2.81 0.83 -0.09 -1.08 -1.05 -1.26 -1.05 118.70 117.81 3fk3 s GLU 83 Ca 0.47 -1.33 -0.04 0.00 -0.15 0.00 0.00 54.97 53.92 3fk3 s GLU 83 Cb 0.11 0.24 0.04 0.00 -0.44 0.00 0.00 34.13 34.09 3fk3 s GLU 83 CO -0.05 -0.22 0.20 -1.17 0.95 0.00 0.00 175.26 174.98 3fk3 s LEU 84 N -2.99 0.59 -0.17 1.83 2.96 -0.10 -4.98 118.68 115.82 3fk3 s LEU 84 Ca 0.17 0.42 -0.03 0.00 -0.22 0.00 0.00 54.13 54.47 3fk3 s LEU 84 Cb 0.07 0.58 -0.02 0.00 0.50 0.00 0.00 46.19 47.32 3fk3 s LEU 84 CO -0.03 -0.15 -0.05 -0.89 -1.32 0.00 0.00 176.35 173.91 3fk3 s THR 85 N 1.14 3.63 0.26 3.68 2.01 -1.26 -1.00 115.64 124.10 3fk3 s THR 85 Ca -0.09 -0.44 0.02 0.00 0.31 0.00 0.00 61.69 61.49 3fk3 s THR 85 Cb -0.10 -2.60 -0.04 0.00 0.01 0.00 0.00 72.50 69.77 3fk3 s THR 85 CO -0.07 0.48 0.16 -1.61 -0.69 0.00 0.00 174.62 172.89 3fk3 s GLU 86 N 0.65 1.43 0.31 4.92 0.41 0.44 -4.99 118.70 121.86 3fk3 s GLU 86 Ca -0.03 -1.79 0.08 0.00 -0.41 0.00 0.00 54.97 52.82 3fk3 s GLU 86 Cb -0.15 0.11 -0.03 0.00 -1.78 0.00 0.00 34.13 32.28 3fk3 s GLU 86 CO 0.02 -0.44 0.22 0.95 -0.49 0.00 0.00 175.26 175.53 3fk3 s THR 87 N -3.84 3.73 0.01 3.63 -4.23 -1.26 -0.47 115.64 113.20 3fk3 s THR 87 Ca 0.38 -1.47 -0.29 0.00 -1.18 0.00 0.00 61.69 59.14 3fk3 s THR 87 Cb 0.06 -3.19 0.10 0.00 1.34 0.00 0.00 72.50 70.81 3fk3 s THR 87 CO 0.16 -0.24 1.26 -0.83 -0.54 0.00 0.00 174.62 174.42 3fk3 s GLY 88 N -3.90 -0.23 0.00 3.99 0.00 -0.42 -4.92 107.32 101.85 3fk3 s GLY 88 Ca 0.37 0.28 0.00 0.00 0.00 0.00 0.00 44.72 45.37 3fk3 s GLY 88 CO 0.25 2.87 0.32 -2.67 0.00 0.00 0.00 173.10 173.87 3fk3 n TRP 89 N -0.70 0.00 -3.93 1.90 4.27 -1.26 -0.45 117.44 117.26 3fk3 n TRP 89 Ca -0.02 -0.05 -0.09 0.00 -3.89 0.00 0.00 57.50 53.44 3fk3 n TRP 89 Cb 0.61 -0.01 -0.09 0.00 -1.36 0.00 0.00 31.31 30.46 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 -0.10 0.19 -0.03 -1.67 0.00 -1.26 -4.92 107.32 99.53 3fk3 s GLY 90 Ca 0.00 -0.61 -0.18 0.00 0.00 0.00 0.00 44.72 43.93 3fk3 s GLY 90 CO 0.00 -0.75 0.49 -0.54 0.00 0.00 0.00 173.10 172.30 3fk3 s GLU 91 N -2.87 4.19 0.23 2.90 2.02 -1.26 -4.96 118.70 118.94 3fk3 s GLU 91 Ca -0.03 0.54 -0.14 0.00 0.02 0.00 0.00 54.97 55.36 3fk3 s GLU 91 Cb 0.00 -3.32 0.00 0.00 0.10 0.00 0.00 34.13 30.92 3fk3 s GLU 91 CO -0.06 0.44 0.48 -0.59 0.02 0.00 0.00 175.26 175.55 3fk3 s PHE 92 N -0.33 0.21 0.03 1.61 -0.12 -1.26 -5.00 117.98 113.12 3fk3 s PHE 92 Ca 0.27 -0.57 -0.30 0.00 -0.05 0.00 0.00 56.93 56.27 3fk3 s PHE 92 Cb -0.17 0.25 -0.04 0.00 -0.63 0.00 0.00 43.02 42.43 3fk3 s PHE 92 CO 0.14 -0.96 1.03 -0.51 -0.05 0.00 0.00 175.22 174.87 3fk3 s ASP 93 N -2.97 7.32 -0.16 1.98 1.01 -1.26 -1.99 116.67 120.60 3fk3 s ASP 93 Ca 0.18 1.76 -0.02 0.00 0.71 0.00 0.00 52.55 55.18 3fk3 s ASP 93 Cb -0.01 -2.57 -0.01 0.00 1.01 0.00 0.00 42.92 41.33 3fk3 s ASP 93 CO 0.05 -0.28 -0.09 -0.63 0.21 0.00 0.00 175.17 174.42 3fk3 s ILE 94 N 0.87 3.25 -0.40 0.77 1.01 0.64 -4.46 121.20 122.89 3fk3 s ILE 94 Ca 0.53 -0.57 -0.21 0.00 0.00 0.00 0.00 60.65 60.39 3fk3 s ILE 94 Cb -0.23 -2.41 0.01 0.00 0.01 0.00 0.00 42.46 39.84 3fk3 s ILE 94 CO 0.29 0.49 0.67 0.21 0.00 0.00 0.00 174.94 176.60 3fk3 s ASN 95 N 0.65 6.39 -0.36 3.58 2.47 -1.05 -1.37 114.94 125.26 3fk3 s ASN 95 Ca -0.05 -0.04 -0.17 0.00 0.42 0.00 0.00 52.86 53.01 3fk3 s ASN 95 Cb -0.15 -2.34 -0.00 0.00 -1.45 0.00 0.00 41.25 37.31 3fk3 s ASN 95 CO 0.02 -0.71 0.48 -0.63 -3.72 0.00 0.00 177.10 172.55 3fk3 s ILE 96 N 2.84 5.05 -0.29 -5.21 1.01 -0.35 -0.99 121.20 123.26 3fk3 s ILE 96 Ca 0.25 0.22 -0.10 0.00 0.00 0.00 0.00 60.65 61.02 3fk3 s ILE 96 Cb -0.14 -3.95 -0.02 0.00 0.01 0.00 0.00 42.46 38.36 3fk3 s ILE 96 CO 0.17 -0.22 0.16 -0.54 0.00 0.00 0.00 174.94 174.51 3fk3 s LYS 97 N 2.31 3.58 -0.24 2.79 1.02 0.11 -1.37 119.74 127.94 3fk3 s LYS 97 Ca 0.17 -0.56 -0.08 0.00 0.02 0.00 0.00 55.97 55.52 3fk3 s LYS 97 Cb -0.16 -3.57 -0.04 0.00 -0.52 0.00 0.00 37.83 33.54 3fk3 s LYS 97 CO 0.13 -0.31 0.10 0.08 -0.92 0.00 0.00 175.35 174.42 3fk3 s VAL 98 N 1.67 4.67 -0.29 3.17 1.01 -0.09 0.01 120.40 130.55 3fk3 s VAL 98 Ca 0.06 -0.06 -0.08 0.00 0.00 0.00 0.00 61.98 61.90 3fk3 s VAL 98 Cb -0.16 -3.17 -0.01 0.00 0.00 0.00 0.00 36.38 33.03 3fk3 s VAL 98 CO 0.08 0.35 0.11 -0.31 0.00 0.00 0.00 175.10 175.33 3fk3 s TYR 99 N 1.32 3.14 0.59 5.22 1.51 0.75 -1.12 117.35 128.76 3fk3 s TYR 99 Ca 0.06 -0.58 -0.12 0.00 -1.01 0.00 0.00 57.07 55.41 3fk3 s TYR 99 Cb -0.15 -2.30 -0.05 0.00 -0.11 0.00 0.00 41.96 39.36 3fk3 s TYR 99 CO 0.05 -0.44 1.02 -0.06 -1.11 0.00 0.00 175.55 175.00 3fk3 s PHE 100 N 1.60 3.58 0.46 2.71 0.40 -1.26 0.08 117.98 125.55 3fk3 s PHE 100 Ca 0.05 1.33 -0.23 0.00 -0.60 0.00 0.00 56.93 57.48 3fk3 s PHE 100 Cb -0.16 -2.74 -0.09 0.00 0.51 0.00 0.00 43.02 40.54 3fk3 s PHE 100 CO 0.05 -0.60 1.09 0.28 0.70 0.00 0.00 175.22 176.74 3fk3 n VAL 101 N -2.45 2.76 0.30 -0.44 0.31 0.12 -4.35 118.33 114.59 3fk3 n VAL 101 Ca 0.06 -0.50 0.19 0.00 -0.01 0.00 0.00 64.34 64.08 3fk3 n VAL 101 Cb 0.54 -1.30 0.96 0.00 -0.91 0.00 0.00 33.84 33.13 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 1.51 0.00 0.00 5.55 4.11 -1.95 -0.77 114.58 123.03 3fk3 h GLU 102 Ca -0.46 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 58.95 3fk3 h GLU 102 Cb 1.33 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.58 3fk3 h GLU 102 CO 0.57 0.03 -0.07 0.93 0.07 0.00 0.00 179.01 180.53 3fk3 h GLU 103 N 0.00 0.00 -0.14 1.06 3.07 -1.98 -2.62 114.58 113.96 3fk3 h GLU 103 Ca -0.00 0.00 -0.05 0.00 -0.50 0.00 0.00 59.36 58.81 3fk3 h GLU 103 Cb 0.21 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.10 3fk3 h GLU 103 CO 0.00 0.07 -0.13 0.00 -1.40 0.00 0.00 179.01 177.55 3fk3 h ALA 104 N 1.93 1.51 -6.52 3.43 0.00 -1.47 -3.37 119.26 114.76 3fk3 h ALA 104 Ca -0.00 -0.20 -0.50 0.00 0.00 0.00 0.00 54.91 54.20 3fk3 h ALA 104 Cb 0.29 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.97 3fk3 h ALA 104 CO 0.01 0.35 -0.91 -1.71 0.00 0.00 0.00 179.25 176.98 3fk3 n ASN 105 N -4.27 -1.42 -4.53 0.00 2.85 -0.99 -4.77 115.26 102.12 3fk3 n ASN 105 Ca -0.01 -1.05 -0.29 0.00 -0.11 0.00 0.00 54.58 53.13 3fk3 n ASN 105 Cb 0.27 -2.91 -0.10 0.00 1.24 0.00 0.00 39.78 38.28 3fk3 n ASN 105 CO 0.00 0.00 0.00 -1.61 -2.11 0.00 0.00 177.26 173.54 3fk3 s GLU 106 N -6.57 1.93 0.86 1.20 0.41 -1.26 -5.12 118.70 110.15 3fk3 s GLU 106 Ca 0.13 -1.19 -0.12 0.00 -0.41 0.00 0.00 54.97 53.38 3fk3 s GLU 106 Cb -0.05 -2.15 0.11 0.00 -1.78 0.00 0.00 34.13 30.25 3fk3 s GLU 106 CO 0.90 0.47 1.10 0.15 -0.49 0.00 0.00 175.26 177.38 3fk3 s LYS 107 N -2.40 1.53 0.33 1.61 1.02 -1.26 -4.83 119.74 115.75 3fk3 s LYS 107 Ca 0.21 0.67 -0.29 0.00 0.02 0.00 0.00 55.97 56.58 3fk3 s LYS 107 Cb -0.10 -1.85 -0.12 0.00 -0.52 0.00 0.00 37.83 35.24 3fk3 s LYS 107 CO 0.12 -2.01 1.43 0.28 -0.92 0.00 0.00 175.35 174.25 3fk3 n VAL 108 N -3.70 1.70 -3.37 3.17 0.31 -1.26 -4.75 118.33 110.42 3fk3 n VAL 108 Ca 0.07 -0.42 -0.42 0.00 -0.01 0.00 0.00 64.34 63.56 3fk3 n VAL 108 Cb 0.56 -1.77 -0.09 0.00 -0.91 0.00 0.00 33.84 31.63 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 -1.15 4.60 -0.01 7.52 2.96 -0.28 -4.93 118.68 127.39 3fk3 s LEU 109 Ca 0.58 -0.40 -0.14 0.00 -0.22 0.00 0.00 54.13 53.94 3fk3 s LEU 109 Cb -0.53 -2.35 -0.05 0.00 0.50 0.00 0.00 46.19 43.75 3fk3 s LEU 109 CO 0.59 -0.43 0.39 0.20 -1.32 0.00 0.00 176.35 175.78 3fk3 s ASN 110 N 1.76 6.77 0.16 3.68 0.01 -1.26 -0.92 114.94 125.14 3fk3 s ASN 110 Ca 0.12 0.92 -0.08 0.00 -0.71 0.00 0.00 52.86 53.11 3fk3 s ASN 110 Cb -0.17 -2.24 -0.01 0.00 0.41 0.00 0.00 41.25 39.24 3fk3 s ASN 110 CO 0.12 0.32 0.25 0.72 -1.51 0.00 0.00 177.10 177.00 3fk3 s PHE 111 N -0.99 0.46 -0.15 2.20 -0.12 -0.47 -5.02 117.98 113.89 3fk3 s PHE 111 Ca 0.23 -0.82 -0.06 0.00 -0.05 0.00 0.00 56.93 56.22 3fk3 s PHE 111 Cb -0.16 -0.12 -0.04 0.00 -0.63 0.00 0.00 43.02 42.07 3fk3 s PHE 111 CO 0.12 -0.68 0.06 -0.47 -0.05 0.00 0.00 175.22 174.20 3fk3 s TYR 112 N -3.98 3.30 -0.06 3.49 5.04 -1.26 -1.21 117.35 122.66 3fk3 s TYR 112 Ca 0.18 0.19 0.01 0.00 -2.44 0.00 0.00 57.07 55.00 3fk3 s TYR 112 Cb 0.04 -1.99 0.02 0.00 0.35 0.00 0.00 41.96 40.39 3fk3 s TYR 112 CO -0.00 0.34 -0.05 -1.58 -1.34 0.00 0.00 175.55 172.91 3fk3 s HIS 113 N -0.18 0.96 -0.44 4.97 5.65 -0.47 -4.97 115.29 120.80 3fk3 s HIS 113 Ca 0.08 -0.33 -0.26 0.00 0.25 0.00 0.00 55.06 54.80 3fk3 s HIS 113 Cb -0.12 -0.84 0.02 0.00 -1.18 0.00 0.00 32.58 30.47 3fk3 s HIS 113 CO 0.01 -0.28 0.93 0.50 -0.65 0.00 0.00 174.74 175.26 3fk3 s ARG 114 N 1.19 3.60 0.03 2.88 6.06 -1.26 -0.26 118.95 131.19 3fk3 s ARG 114 Ca -0.06 0.25 -0.30 0.00 -2.50 0.00 0.00 55.73 53.11 3fk3 s ARG 114 Cb -0.14 -3.90 -0.08 0.00 0.06 0.00 0.00 34.95 30.89 3fk3 s ARG 114 CO -0.02 -1.18 1.72 -1.17 -2.50 0.00 0.00 175.30 172.16 3fk3 s LEU 115 N 3.73 4.37 -0.17 -0.88 2.96 -0.84 -4.95 118.68 122.89 3fk3 s LEU 115 Ca 0.38 2.47 -0.03 0.00 -0.22 0.00 0.00 54.13 56.73 3fk3 s LEU 115 Cb -0.10 -3.55 -0.02 0.00 0.50 0.00 0.00 46.19 43.02 3fk3 s LEU 115 CO 0.25 -0.94 -0.06 -0.13 -1.32 0.00 0.00 176.35 174.16 3fk3 s ARG 116 N 3.36 3.52 -0.06 1.98 1.81 -1.26 -3.98 118.95 124.32 3fk3 s ARG 116 Ca 0.77 -0.59 0.02 0.00 -1.72 0.00 0.00 55.73 54.21 3fk3 s ARG 116 Cb -0.39 -2.88 -0.05 0.00 -0.45 0.00 0.00 34.95 31.17 3fk3 s ARG 116 CO 0.34 0.10 -0.03 1.28 -0.68 0.00 0.00 175.30 176.30 3fk3 n LEU 117 N 3.91 2.00 -4.86 2.53 4.77 -1.26 -4.52 117.00 119.56 3fk3 n LEU 117 Ca -0.18 -0.02 -0.32 0.00 -0.03 0.00 0.00 56.01 55.46 3fk3 n LEU 117 Cb 0.52 -0.12 -0.05 0.00 -2.33 0.00 0.00 43.42 41.44 3fk3 n LEU 117 CO 0.31 0.46 -0.19 -1.00 -1.33 0.00 0.00 177.39 175.64 3fk3 s HIS 118 N -2.13 3.43 0.34 -1.77 3.76 -1.26 -4.68 115.29 112.98 3fk3 s HIS 118 Ca -0.07 0.26 -0.28 0.00 -0.15 0.00 0.00 55.06 54.82 3fk3 s HIS 118 Cb 0.02 -1.76 -0.12 0.00 1.11 0.00 0.00 32.58 31.83 3fk3 s HIS 118 CO 0.18 0.59 1.27 -2.30 -0.85 0.00 0.00 174.74 173.63 3fk3 n PRO 119 N 0.73 2.07 -0.26 8.40 -0.02 -1.26 -5.01 135.00 139.65 3fk3 n PRO 119 Ca -0.09 0.72 -0.10 0.00 -2.02 0.00 0.00 63.50 62.02 3fk3 n PRO 119 Cb 0.52 -2.30 -0.01 0.00 -0.02 0.00 0.00 33.50 31.69 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 0.54 0.00 -4.45 -0.52 2.13 -1.26 -5.21 120.64 111.87 3fk3 n GLU 144 Ca 0.05 0.00 -0.32 0.00 0.66 0.00 0.00 57.16 57.55 3fk3 n GLU 144 Cb 0.36 -0.23 -0.10 0.00 0.27 0.00 0.00 31.44 31.74 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 -0.08 3.65 -0.05 6.31 1.01 -0.18 -4.97 120.40 126.10 3fk3 s VAL 145 Ca 0.14 -0.78 -0.05 0.00 0.00 0.00 0.00 61.98 61.30 3fk3 s VAL 145 Cb -0.20 -2.59 0.01 0.00 0.00 0.00 0.00 36.38 33.60 3fk3 s VAL 145 CO 0.10 0.39 0.14 -0.94 0.00 0.00 0.00 175.10 174.80 3fk3 s SER 146 N -1.42 -0.14 -0.34 3.32 1.04 -1.26 0.26 113.70 115.16 3fk3 s SER 146 Ca 0.17 0.27 0.00 0.00 0.48 0.00 0.00 55.95 56.87 3fk3 s SER 146 Cb -0.11 0.29 0.11 0.00 0.10 0.00 0.00 66.02 66.41 3fk3 s SER 146 CO 0.08 -0.06 0.11 -0.55 0.98 0.00 0.00 173.24 173.80 3fk3 s SER 147 N 0.01 4.08 -0.02 7.02 0.15 0.14 -5.01 113.70 120.06 3fk3 s SER 147 Ca -0.01 -1.88 0.05 0.00 0.70 0.00 0.00 55.95 54.81 3fk3 s SER 147 Cb -0.01 -1.00 -0.01 0.00 -1.71 0.00 0.00 66.02 63.28 3fk3 s SER 147 CO 0.00 -0.39 -0.17 -0.69 1.20 0.00 0.00 173.24 173.20 3fk3 s VAL 148 N 1.30 1.37 -0.02 4.45 1.01 -1.26 -0.82 120.40 126.42 3fk3 s VAL 148 Ca 0.11 -0.72 0.07 0.00 0.00 0.00 0.00 61.98 61.44 3fk3 s VAL 148 Cb -0.19 -1.15 -0.02 0.00 0.00 0.00 0.00 36.38 35.02 3fk3 s VAL 148 CO -0.18 0.39 -0.24 -0.31 0.00 0.00 0.00 175.10 174.76 3fk3 s TYR 149 N -0.25 2.15 -0.57 5.22 2.02 0.11 -4.99 117.35 121.04 3fk3 s TYR 149 Ca 0.03 -0.44 0.03 0.00 -0.37 0.00 0.00 57.07 56.32 3fk3 s TYR 149 Cb -0.08 -1.39 0.14 0.00 -0.40 0.00 0.00 41.96 40.23 3fk3 s TYR 149 CO 0.00 -0.06 0.33 0.12 -1.57 0.00 0.00 175.55 174.37 3fk3 s PHE 150 N -0.49 3.28 0.00 2.71 5.36 -1.26 -1.49 117.98 126.09 3fk3 s PHE 150 Ca 0.07 -3.15 0.00 0.00 -0.96 0.00 0.00 56.93 52.89 3fk3 s PHE 150 Cb -0.10 -2.86 0.00 0.00 -0.34 0.00 0.00 43.02 39.73 3fk3 s PHE 150 CO -0.00 -0.72 0.00 -0.25 -1.46 0.00 0.00 175.22 172.79 3fk3 n ASP 151 N 2.95 1.04 -3.71 6.13 8.00 -0.55 -4.94 116.55 125.47 3fk3 n ASP 151 Ca 0.08 0.00 -0.16 0.00 0.71 0.00 0.00 54.79 55.42 3fk3 n ASP 151 Cb 0.33 0.00 -0.16 0.00 -0.02 0.00 0.00 41.12 41.27 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 1.94 0.02 -0.31 -1.24 2.12 -1.26 -1.34 118.70 118.62 3fk3 s GLU 152 Ca 0.00 0.41 -0.21 0.00 0.36 0.00 0.00 54.97 55.53 3fk3 s GLU 152 Cb 0.00 -0.28 -0.01 0.00 0.26 0.00 0.00 34.13 34.10 3fk3 s GLU 152 CO 0.00 -0.24 0.65 0.42 -0.54 0.00 0.00 175.26 175.54 3fk3 s ILE 153 N 1.71 4.91 -0.24 -3.70 1.01 0.01 -4.95 121.20 119.96 3fk3 s ILE 153 Ca -0.02 0.85 -0.15 0.00 0.00 0.00 0.00 60.65 61.32 3fk3 s ILE 153 Cb -0.12 -4.03 -0.04 0.00 0.01 0.00 0.00 42.46 38.28 3fk3 s ILE 153 CO -0.05 -0.18 0.38 -0.69 0.00 0.00 0.00 174.94 174.41 3fk3 s VAL 154 N 2.66 5.19 -0.32 2.92 1.01 -1.26 -0.92 120.40 129.68 3fk3 s VAL 154 Ca 0.26 0.63 -0.15 0.00 0.00 0.00 0.00 61.98 62.72 3fk3 s VAL 154 Cb -0.15 -3.71 -0.02 0.00 0.00 0.00 0.00 36.38 32.50 3fk3 s VAL 154 CO 0.12 0.20 0.35 -0.36 0.00 0.00 0.00 175.10 175.42 3fk3 s PHE 155 N 1.70 3.22 0.01 5.22 0.40 0.98 -4.95 117.98 124.57 3fk3 s PHE 155 Ca 0.17 0.08 -0.19 0.00 -0.60 0.00 0.00 56.93 56.38 3fk3 s PHE 155 Cb -0.15 -2.63 -0.06 0.00 0.51 0.00 0.00 43.02 40.69 3fk3 s PHE 155 CO 0.09 -0.37 0.55 1.21 0.70 0.00 0.00 175.22 177.40 3fk3 s ASN 156 N 1.72 6.96 -1.29 1.36 2.47 -1.26 -1.23 114.94 123.67 3fk3 s ASN 156 Ca 0.12 1.15 -0.13 0.00 0.42 0.00 0.00 52.86 54.41 3fk3 s ASN 156 Cb -0.16 -2.34 0.00 0.00 -1.45 0.00 0.00 41.25 37.30 3fk3 s ASN 156 CO 0.11 0.18 0.55 -0.62 -3.72 0.00 0.00 177.10 173.61 3fk3 n GLU 157 N 2.35 -1.85 -2.16 0.43 1.02 -0.09 -4.91 120.64 115.43 3fk3 n GLU 157 Ca -0.09 0.34 -0.40 0.00 -0.02 0.00 0.00 57.16 56.99 3fk3 n GLU 157 Cb 0.51 -3.96 -0.02 0.00 -0.02 0.00 0.00 31.44 27.95 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 -6.58 4.32 0.75 3.49 0.04 -1.26 -5.00 135.00 130.75 3fk3 s PRO 158 Ca 0.25 2.13 -0.11 0.00 0.04 0.00 0.00 61.00 63.31 3fk3 s PRO 158 Cb -0.11 -3.01 0.04 0.00 0.04 0.00 0.00 34.50 31.46 3fk3 s PRO 158 CO 0.90 -0.19 1.08 0.54 0.04 0.00 0.00 177.00 179.37 3fk3 s ASN 159 N -0.61 4.82 0.18 6.66 2.20 -1.26 -4.78 114.94 122.15 3fk3 s ASN 159 Ca 0.50 1.68 -0.13 0.00 -0.94 0.00 0.00 52.86 53.98 3fk3 s ASN 159 Cb -0.38 -2.46 0.16 0.00 -2.00 0.00 0.00 41.25 36.57 3fk3 s ASN 159 CO 0.50 -1.81 1.77 -0.08 -2.94 0.00 0.00 177.10 174.54 3fk3 h GLU 160 N -0.97 0.43 -0.77 3.55 4.81 -1.96 0.17 114.58 119.84 3fk3 h GLU 160 Ca -0.44 -0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 58.73 3fk3 h GLU 160 Cb 1.23 -0.10 -0.03 0.00 0.63 0.00 0.00 28.75 30.48 3fk3 h GLU 160 CO 0.54 0.28 0.35 0.93 -0.73 0.00 0.00 179.01 180.39 3fk3 h GLU 161 N 0.44 1.12 -0.44 1.92 5.08 -1.93 -1.51 114.58 119.27 3fk3 h GLU 161 Ca 0.23 -0.18 -0.12 0.00 -1.00 0.00 0.00 59.36 58.29 3fk3 h GLU 161 Cb 0.19 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.23 3fk3 h GLU 161 CO -0.20 0.89 -0.22 0.35 -1.00 0.00 0.00 179.01 178.83 3fk3 h PHE 162 N 1.09 1.01 -0.79 4.33 3.57 -1.62 -3.02 116.94 121.51 3fk3 h PHE 162 Ca 0.26 -0.24 0.06 0.00 3.53 0.00 0.00 57.97 61.59 3fk3 h PHE 162 Cb 0.15 -0.24 -0.06 0.00 2.79 0.00 0.00 35.95 38.59 3fk3 h PHE 162 CO 0.01 1.02 0.47 0.35 -2.23 0.00 0.00 178.31 177.93 3fk3 h PHE 163 N 0.77 0.87 -0.49 0.41 3.57 -0.53 -0.49 116.94 121.05 3fk3 h PHE 163 Ca 0.10 0.03 0.05 0.00 3.53 0.00 0.00 57.97 61.68 3fk3 h PHE 163 Cb 0.77 -0.28 -0.05 0.00 2.79 0.00 0.00 35.95 39.18 3fk3 h PHE 163 CO 0.05 0.43 0.22 -0.22 -2.23 0.00 0.00 178.31 176.55 3fk3 h LYS 164 N 0.86 0.41 -0.41 1.11 3.64 -1.17 -2.66 116.57 118.34 3fk3 h LYS 164 Ca 0.35 -0.02 -0.04 0.00 -1.27 0.00 0.00 60.65 59.66 3fk3 h LYS 164 Cb 0.19 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 31.90 3fk3 h LYS 164 CO -0.18 0.27 0.10 0.82 -2.27 0.00 0.00 179.45 178.19 3fk3 h ILE 165 N 0.43 1.23 0.00 2.00 2.04 -1.34 -2.82 117.51 119.05 3fk3 h ILE 165 Ca 0.22 -0.81 0.00 0.00 1.00 0.00 0.00 64.86 65.28 3fk3 h ILE 165 Cb 0.18 0.96 0.00 0.00 -0.74 0.00 0.00 36.82 37.22 3fk3 h ILE 165 CO -0.19 0.28 0.00 0.18 0.00 0.00 0.00 178.15 178.42 3fk3 n LEU 166 N -4.54 0.00 0.00 1.44 4.32 -0.24 -4.26 117.00 113.72 3fk3 n LEU 166 Ca -0.00 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.99 3fk3 n LEU 166 Cb 0.21 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.01 3fk3 n LEU 166 CO 0.39 0.00 0.00 -1.20 -1.22 0.00 0.00 177.39 175.36 3fk3 n SER 168 N 0.69 0.00 0.00 -1.43 7.64 -1.07 -5.10 113.62 114.36 3fk3 n SER 168 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 3fk3 n SER 168 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 3fk3 n SER 168 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57