#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fkz s GLU 2 N 0.00 4.25 0.63 1.64 2.12 -1.26 -5.01 118.70 121.08 3fkz s GLU 2 Ca 0.00 2.08 -0.13 0.00 0.36 0.00 0.00 54.97 57.28 3fkz s GLU 2 Cb 0.00 -3.58 -0.02 0.00 0.26 0.00 0.00 34.13 30.78 3fkz s GLU 2 CO 0.00 -0.63 1.04 0.95 -0.54 0.00 0.00 175.26 176.08 3fkz s THR 3 N 2.49 4.20 0.19 -1.70 -4.23 -1.26 -4.86 115.64 110.47 3fkz s THR 3 Ca 0.67 0.83 -0.12 0.00 -1.18 0.00 0.00 61.69 61.89 3fkz s THR 3 Cb -0.34 -3.54 0.11 0.00 1.34 0.00 0.00 72.50 70.06 3fkz s THR 3 CO 0.28 -0.82 1.85 0.00 -0.54 0.00 0.00 174.62 175.38 3fkz h ALA 4 N -0.16 0.79 -0.51 3.99 0.00 -1.98 -0.47 119.26 120.93 3fkz h ALA 4 Ca -0.45 -0.03 0.06 0.00 0.00 0.00 0.00 54.91 54.49 3fkz h ALA 4 Cb 1.20 -0.23 -0.05 0.00 0.00 0.00 0.00 17.79 18.72 3fkz h ALA 4 CO 0.59 0.18 0.22 0.00 0.00 0.00 0.00 179.25 180.24 3fkz h ALA 5 N 1.24 0.63 -0.40 0.00 0.00 -2.00 0.76 119.26 119.50 3fkz h ALA 5 Ca 0.24 0.04 -0.10 0.00 0.00 0.00 0.00 54.91 55.09 3fkz h ALA 5 Cb -0.05 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 3fkz h ALA 5 CO -0.07 -0.16 -0.16 0.00 0.00 0.00 0.00 179.25 178.87 3fkz h ALA 6 N 1.31 0.98 -0.17 0.00 0.00 -1.76 -2.14 119.26 117.47 3fkz h ALA 6 Ca 0.23 -0.33 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 3fkz h ALA 6 Cb 0.20 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 3fkz h ALA 6 CO -0.20 0.60 0.07 -0.22 0.00 0.00 0.00 179.25 179.50 3fkz h LYS 7 N 0.66 0.26 -0.60 0.00 3.64 -0.62 0.16 116.57 120.07 3fkz h LYS 7 Ca 0.11 -0.05 0.08 0.00 -1.27 0.00 0.00 60.65 59.52 3fkz h LYS 7 Cb 0.63 -0.04 -0.07 0.00 -0.41 0.00 0.00 32.23 32.35 3fkz h LYS 7 CO 0.04 0.34 0.25 0.35 -2.27 0.00 0.00 179.45 178.17 3fkz h PHE 8 N 0.12 0.44 -0.77 1.91 3.04 -0.56 -0.42 116.94 120.70 3fkz h PHE 8 Ca 0.06 0.03 -0.02 0.00 3.98 0.00 0.00 57.97 62.02 3fkz h PHE 8 Cb 0.18 -0.11 -0.04 0.00 2.56 0.00 0.00 35.95 38.55 3fkz h PHE 8 CO -0.01 0.14 0.42 0.93 -2.02 0.00 0.00 178.31 177.77 3fkz h GLU 9 N 0.45 1.07 -0.32 1.11 5.08 -0.94 0.14 114.58 121.18 3fkz h GLU 9 Ca 0.30 -0.12 -0.15 0.00 -1.00 0.00 0.00 59.36 58.38 3fkz h GLU 9 Cb 0.33 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.36 3fkz h GLU 9 CO -0.27 0.79 -0.41 -0.09 -1.00 0.00 0.00 179.01 178.02 3fkz h ARG 10 N 1.08 0.79 0.00 2.33 2.43 -0.17 -2.01 114.38 118.83 3fkz h ARG 10 Ca 0.27 -0.42 -0.22 0.00 -0.81 0.00 0.00 59.98 58.80 3fkz h ARG 10 Cb 0.03 0.02 -0.04 0.00 -0.42 0.00 0.00 29.97 29.56 3fkz h ARG 10 CO -0.04 1.05 -1.25 1.96 -1.51 0.00 0.00 179.97 180.18 3fkz h GLN 11 N 0.64 0.00 0.00 0.20 4.20 -0.79 -3.42 115.11 115.94 3fkz h GLN 11 Ca 0.05 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.76 3fkz h GLN 11 Cb 0.98 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.76 3fkz h GLN 11 CO 0.09 0.69 -0.09 0.72 -0.67 0.00 0.00 178.83 179.58 3fkz n HIS 12 N -3.18 0.00 -3.54 2.96 8.25 0.46 -5.03 115.22 115.14 3fkz n HIS 12 Ca -0.07 0.00 -0.37 0.00 -0.26 0.00 0.00 57.72 57.02 3fkz n HIS 12 Cb 0.95 0.00 -0.09 0.00 1.12 0.00 0.00 29.99 31.97 3fkz n HIS 12 CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 3fkz s MET 13 N -1.02 4.11 -0.39 -0.41 -1.94 -0.75 -4.95 119.30 113.94 3fkz s MET 13 Ca 0.00 -0.08 0.11 0.00 -1.71 0.00 0.00 55.69 54.01 3fkz s MET 13 Cb 0.00 -3.54 0.37 0.00 2.01 0.00 0.00 34.83 33.66 3fkz s MET 13 CO 0.00 0.01 0.98 -3.47 -0.01 0.00 0.00 175.02 172.52 3fkz n ASP 14 N 4.41 -0.39 -4.59 3.03 2.03 -1.26 -4.84 116.55 114.95 3fkz n ASP 14 Ca -0.12 -3.08 -0.52 0.00 0.52 0.00 0.00 54.79 51.59 3fkz n ASP 14 Cb 0.52 0.39 -0.06 0.00 -0.72 0.00 0.00 41.12 41.24 3fkz n ASP 14 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 3fkz n SER 15 N 0.11 1.55 0.00 1.67 7.64 -1.26 -1.82 113.62 121.50 3fkz n SER 15 Ca 0.12 1.12 0.00 0.00 1.01 0.00 0.00 58.87 61.13 3fkz n SER 15 Cb 0.73 -1.19 0.00 0.00 -1.01 0.00 0.00 64.21 62.74 3fkz n SER 15 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3fkz n GLY 16 N 2.42 0.72 1.46 0.23 0.00 -1.26 -4.90 105.19 103.86 3fkz n GLY 16 Ca 0.18 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.16 3fkz n GLY 16 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3fkz n ASN 17 N 0.00 3.69 -4.66 1.61 5.15 -0.76 -5.01 115.26 115.29 3fkz n ASN 17 Ca 0.00 -3.40 -0.44 0.00 -0.60 0.00 0.00 54.58 50.15 3fkz n ASN 17 Cb 0.00 -0.67 -0.01 0.00 -0.53 0.00 0.00 39.78 38.57 3fkz n ASN 17 CO 0.00 0.00 0.00 -1.20 1.40 0.00 0.00 177.26 177.46 3fkz n SER 18 N -0.69 2.31 0.00 1.20 7.64 -1.26 -4.83 113.62 118.00 3fkz n SER 18 Ca 0.36 1.18 0.12 0.00 1.01 0.00 0.00 58.87 61.54 3fkz n SER 18 Cb 1.18 -1.41 0.74 0.00 -1.01 0.00 0.00 64.21 63.71 3fkz n SER 18 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 3fkz n PRO 19 N 0.99 0.80 -1.64 1.43 -0.04 -1.26 -4.90 135.00 130.39 3fkz n PRO 19 Ca 0.08 0.00 -0.50 0.00 -0.04 0.00 0.00 63.50 63.04 3fkz n PRO 19 Cb 0.33 -1.49 -0.05 0.00 -0.04 0.00 0.00 33.50 32.26 3fkz n PRO 19 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 3fkz n SER 20 N -0.99 2.40 -1.56 3.54 2.88 -1.26 -4.87 113.62 113.76 3fkz n SER 20 Ca 0.19 1.09 0.10 0.00 -1.33 0.00 0.00 58.87 58.92 3fkz n SER 20 Cb 0.09 -1.29 0.36 0.00 -0.75 0.00 0.00 64.21 62.61 3fkz n SER 20 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 3fkz n SER 21 N 3.36 4.67 -4.02 -3.46 2.88 -1.26 -4.76 113.62 111.04 3fkz n SER 21 Ca 0.19 -2.38 -0.42 0.00 -1.33 0.00 0.00 58.87 54.92 3fkz n SER 21 Cb 0.23 -0.57 0.00 0.00 -0.75 0.00 0.00 64.21 63.12 3fkz n SER 21 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 3fkz n SER 22 N 1.22 4.47 0.00 -3.46 2.88 -1.26 -0.84 113.62 116.62 3fkz n SER 22 Ca 0.26 -2.92 0.00 0.00 -1.33 0.00 0.00 58.87 54.88 3fkz n SER 22 Cb 0.86 -1.64 0.00 0.00 -0.75 0.00 0.00 64.21 62.68 3fkz n SER 22 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 3fkz n SER 23 N 6.18 0.00 -0.30 -3.46 2.88 -1.26 -4.86 113.62 112.80 3fkz n SER 23 Ca 0.48 0.00 0.08 0.00 -1.33 0.00 0.00 58.87 58.09 3fkz n SER 23 Cb 0.40 0.11 -0.02 0.00 -0.75 0.00 0.00 64.21 63.96 3fkz n SER 23 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 3fkz n ASN 24 N -1.71 1.46 0.04 -3.46 5.15 -0.85 -4.65 115.26 111.24 3fkz n ASN 24 Ca 0.00 -1.23 -0.15 0.00 -0.60 0.00 0.00 54.58 52.60 3fkz n ASN 24 Cb 0.00 0.56 -0.08 0.00 -0.53 0.00 0.00 39.78 39.72 3fkz n ASN 24 CO 0.00 0.00 0.00 0.22 1.40 0.00 0.00 177.26 178.88 3fkz h TYR 25 N 1.48 -1.42 -0.05 1.20 5.03 -1.32 -1.34 116.97 120.54 3fkz h TYR 25 Ca 0.00 0.05 0.03 0.00 2.58 0.00 0.00 58.73 61.39 3fkz h TYR 25 Cb 0.51 0.63 -0.03 0.00 1.55 0.00 0.00 36.73 39.39 3fkz h TYR 25 CO 0.00 -0.54 -0.12 0.00 -1.32 0.00 0.00 178.16 176.18 3fkz h ASN 27 N -0.18 0.37 -0.23 0.00 2.35 -1.75 0.33 115.58 116.48 3fkz h ASN 27 Ca 0.06 0.09 -0.02 0.00 -0.55 0.00 0.00 56.30 55.88 3fkz h ASN 27 Cb 0.26 0.04 -0.01 0.00 0.05 0.00 0.00 38.32 38.66 3fkz h ASN 27 CO -0.16 0.17 0.07 -0.61 -1.65 0.00 0.00 177.43 175.26 3fkz h GLN 28 N 0.52 0.36 -0.29 0.81 4.15 -0.70 -3.13 115.11 116.83 3fkz h GLN 28 Ca 0.40 -0.08 -0.17 0.00 0.77 0.00 0.00 58.65 59.57 3fkz h GLN 28 Cb 0.55 -0.05 -0.00 0.00 0.21 0.00 0.00 27.48 28.19 3fkz h GLN 28 CO -0.35 0.44 -0.49 0.52 -1.93 0.00 0.00 178.83 177.01 3fkz h MET 29 N 0.20 0.84 -4.43 1.69 2.86 -0.58 -3.41 114.93 112.10 3fkz h MET 29 Ca 0.07 -0.52 -0.25 0.00 -2.06 0.00 0.00 59.70 56.94 3fkz h MET 29 Cb 0.23 0.06 0.06 0.00 0.06 0.00 0.00 31.60 32.01 3fkz h MET 29 CO -0.00 1.15 1.16 -1.33 1.06 0.00 0.00 176.91 178.95 3fkz n MET 30 N -4.07 0.00 -1.06 1.72 2.81 0.11 -4.54 117.12 112.09 3fkz n MET 30 Ca -0.04 -0.72 -0.02 0.00 -1.81 0.00 0.00 57.70 55.11 3fkz n MET 30 Cb 0.60 -2.22 -0.01 0.00 -0.71 0.00 0.00 33.22 30.88 3fkz n MET 30 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 3fkz n ARG 33 N 6.29 -1.61 -2.98 0.03 5.12 -1.26 -0.59 116.66 121.66 3fkz n ARG 33 Ca 0.20 0.50 -0.18 0.00 -1.93 0.00 0.00 57.85 56.44 3fkz n ARG 33 Cb 0.18 -4.74 0.04 0.00 -1.16 0.00 0.00 32.46 26.78 3fkz n ARG 33 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 3fkz n ASN 34 N -0.83 -5.23 -1.33 0.55 3.02 -1.26 -4.94 115.26 105.24 3fkz n ASN 34 Ca -0.02 -0.28 0.10 0.00 -0.03 0.00 0.00 54.58 54.35 3fkz n ASN 34 Cb 0.43 -4.01 0.31 0.00 -0.61 0.00 0.00 39.78 35.90 3fkz n ASN 34 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3fkz n LEU 35 N -3.43 4.17 -0.20 3.41 4.77 0.25 -4.31 117.00 121.66 3fkz n LEU 35 Ca -0.06 -2.26 0.02 0.00 -0.03 0.00 0.00 56.01 53.67 3fkz n LEU 35 Cb 0.58 -0.49 0.02 0.00 -2.33 0.00 0.00 43.42 41.20 3fkz n LEU 35 CO 0.41 0.86 0.34 0.35 -1.33 0.00 0.00 177.39 178.01 3fkz n THR 36 N 1.13 0.45 -0.03 -5.08 -2.24 -1.24 -2.17 114.28 105.10 3fkz n THR 36 Ca 0.23 -0.51 -0.15 0.00 -2.27 0.00 0.00 64.05 61.35 3fkz n THR 36 Cb 0.73 0.54 -0.09 0.00 -2.10 0.00 0.00 70.33 69.40 3fkz n THR 36 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 3fkz h LYS 37 N 0.00 0.35 0.00 -0.78 1.79 -1.91 -3.38 116.57 112.64 3fkz h LYS 37 Ca 0.00 -0.29 -0.22 0.00 -2.18 0.00 0.00 60.65 57.96 3fkz h LYS 37 Cb 1.08 0.06 -0.04 0.00 -1.58 0.00 0.00 32.23 31.75 3fkz h LYS 37 CO 0.00 0.94 -2.15 -0.25 -1.08 0.00 0.00 179.45 176.91 3fkz n ASP 38 N -4.40 0.42 -3.66 0.86 8.00 -1.26 -5.03 116.55 111.48 3fkz n ASP 38 Ca -0.08 0.00 -0.09 0.00 0.71 0.00 0.00 54.79 55.32 3fkz n ASP 38 Cb 0.52 1.29 -0.02 0.00 -0.02 0.00 0.00 41.12 42.89 3fkz n ASP 38 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3fkz s ARG 39 N -2.78 1.53 -0.37 -1.24 1.70 -1.26 -5.08 118.95 111.45 3fkz s ARG 39 Ca -0.09 -0.76 -0.26 0.00 -0.47 0.00 0.00 55.73 54.15 3fkz s ARG 39 Cb 0.08 0.59 0.02 0.00 -0.57 0.00 0.00 34.95 35.07 3fkz s ARG 39 CO 0.79 -0.69 0.95 0.00 -1.08 0.00 0.00 175.30 175.27 3fkz s LYS 41 N 3.56 4.14 0.20 0.00 2.20 -0.92 -4.90 119.74 124.01 3fkz s LYS 41 Ca 0.39 2.58 -0.11 0.00 -0.36 0.00 0.00 55.97 58.47 3fkz s LYS 41 Cb -0.12 -3.30 0.12 0.00 -1.51 0.00 0.00 37.83 33.03 3fkz s LYS 41 CO 0.19 -0.78 1.83 -1.35 -0.36 0.00 0.00 175.35 174.89 3fkz h PRO 42 N 7.53 0.94 -3.42 4.03 0.11 -1.93 -3.44 132.00 135.82 3fkz h PRO 42 Ca -0.44 -0.09 -0.16 0.00 0.11 0.00 0.00 66.00 65.42 3fkz h PRO 42 Cb 1.21 -0.20 -0.23 0.00 0.11 0.00 0.00 31.00 31.89 3fkz h PRO 42 CO 0.95 0.67 -0.51 0.08 -0.21 0.00 0.00 178.00 178.98 3fkz s VAL 43 N -5.97 0.04 -0.15 3.15 1.01 -1.26 -2.10 120.40 115.13 3fkz s VAL 43 Ca -0.13 -0.35 -0.27 0.00 0.00 0.00 0.00 61.98 61.24 3fkz s VAL 43 Cb 0.14 -0.34 0.07 0.00 0.00 0.00 0.00 36.38 36.25 3fkz s VAL 43 CO 0.78 -0.19 0.66 0.21 0.00 0.00 0.00 175.10 176.56 3fkz s ASN 44 N -0.65 -0.66 -0.03 3.32 2.47 -0.40 -4.99 114.94 114.01 3fkz s ASN 44 Ca -0.07 1.01 0.06 0.00 0.42 0.00 0.00 52.86 54.28 3fkz s ASN 44 Cb -0.04 0.95 -0.02 0.00 -1.45 0.00 0.00 41.25 40.68 3fkz s ASN 44 CO 0.01 -0.42 -0.21 -0.89 -3.72 0.00 0.00 177.10 171.87 3fkz s THR 45 N -0.44 2.45 -0.06 -5.21 2.01 -1.26 -0.16 115.64 112.97 3fkz s THR 45 Ca -0.06 -0.97 0.03 0.00 0.31 0.00 0.00 61.69 61.00 3fkz s THR 45 Cb -0.03 -1.90 -0.03 0.00 0.01 0.00 0.00 72.50 70.56 3fkz s THR 45 CO 0.05 0.58 -0.12 -0.36 -0.69 0.00 0.00 174.62 174.08 3fkz s PHE 46 N -0.66 2.78 -0.11 4.92 0.08 0.11 -4.99 117.98 120.11 3fkz s PHE 46 Ca 0.11 -0.12 -0.01 0.00 0.12 0.00 0.00 56.93 57.03 3fkz s PHE 46 Cb -0.10 -1.67 -0.03 0.00 -0.57 0.00 0.00 43.02 40.66 3fkz s PHE 46 CO -0.00 0.22 -0.07 0.08 -0.10 0.00 0.00 175.22 175.35 3fkz s VAL 47 N -0.71 3.65 -1.65 -0.44 1.01 -1.26 -1.46 120.40 119.54 3fkz s VAL 47 Ca 0.11 -0.47 0.20 0.00 0.00 0.00 0.00 61.98 61.82 3fkz s VAL 47 Cb -0.11 -2.54 0.62 0.00 0.00 0.00 0.00 36.38 34.35 3fkz s VAL 47 CO 0.01 0.54 1.52 1.41 0.00 0.00 0.00 175.10 178.59 3fkz n HIS 48 N 2.96 1.01 -2.54 5.22 -0.00 -0.41 -4.95 115.22 116.51 3fkz n HIS 48 Ca -0.18 -0.53 -0.23 0.00 -0.00 0.00 0.00 57.72 56.78 3fkz n HIS 48 Cb 0.53 -0.06 0.08 0.00 -0.00 0.00 0.00 29.99 30.55 3fkz n HIS 48 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.34 175.13 3fkz s GLU 49 N -1.19 1.96 0.70 -0.41 0.41 -1.26 -4.94 118.70 113.97 3fkz s GLU 49 Ca 0.46 -0.90 -0.13 0.00 -0.41 0.00 0.00 54.97 53.99 3fkz s GLU 49 Cb 0.25 -2.35 0.02 0.00 -1.78 0.00 0.00 34.13 30.28 3fkz s GLU 49 CO 0.29 -1.24 1.09 -1.54 -0.49 0.00 0.00 175.26 173.37 3fkz s SER 50 N -4.62 5.03 0.34 -0.19 1.04 -1.26 -4.88 113.70 109.16 3fkz s SER 50 Ca 0.63 1.84 0.05 0.00 0.48 0.00 0.00 55.95 58.95 3fkz s SER 50 Cb -0.07 -2.53 0.63 0.00 0.10 0.00 0.00 66.02 64.15 3fkz s SER 50 CO 0.43 -1.68 1.89 0.25 0.98 0.00 0.00 173.24 175.11 3fkz h LEU 51 N -0.47 0.49 -0.76 2.42 5.85 -1.97 -1.61 115.31 119.27 3fkz h LEU 51 Ca -0.45 -0.08 0.03 0.00 0.84 0.00 0.00 57.88 58.21 3fkz h LEU 51 Cb 1.23 -0.13 -0.04 0.00 0.37 0.00 0.00 40.66 42.09 3fkz h LEU 51 CO 0.54 0.54 0.49 0.00 -0.34 0.00 0.00 178.44 179.66 3fkz h ALA 52 N 1.53 0.99 -0.05 1.25 0.00 -1.99 0.36 119.26 121.34 3fkz h ALA 52 Ca 0.11 -0.03 -0.15 0.00 0.00 0.00 0.00 54.91 54.83 3fkz h ALA 52 Cb 0.29 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 3fkz h ALA 52 CO 0.01 0.30 -0.66 -0.44 0.00 0.00 0.00 179.25 178.46 3fkz h ASP 53 N 0.96 0.23 -0.18 0.00 3.32 -1.67 -2.38 116.42 116.69 3fkz h ASP 53 Ca 0.30 -0.14 -0.10 0.00 0.02 0.00 0.00 57.03 57.10 3fkz h ASP 53 Cb -0.01 -0.07 -0.00 0.00 0.22 0.00 0.00 39.33 39.47 3fkz h ASP 53 CO -0.10 0.82 -0.29 0.58 -1.72 0.00 0.00 179.24 178.53 3fkz h VAL 54 N 0.14 1.34 -0.47 -1.35 2.07 -0.80 -3.13 116.25 114.04 3fkz h VAL 54 Ca -0.01 -1.51 -0.00 0.00 0.82 0.00 0.00 66.70 65.99 3fkz h VAL 54 Cb 1.19 1.88 -0.02 0.00 -1.52 0.00 0.00 31.29 32.81 3fkz h VAL 54 CO 0.10 0.46 0.29 1.56 0.02 0.00 0.00 177.57 180.00 3fkz h GLN 55 N 0.17 0.63 0.00 1.57 4.20 -0.25 -2.32 115.11 119.12 3fkz h GLN 55 Ca 0.02 -0.05 -0.02 0.00 0.06 0.00 0.00 58.65 58.66 3fkz h GLN 55 Cb 0.87 -0.14 -0.00 0.00 0.30 0.00 0.00 27.48 28.51 3fkz h GLN 55 CO 0.07 0.44 -0.07 0.00 -0.67 0.00 0.00 178.83 178.59 3fkz h ALA 56 N 1.68 1.50 -0.43 3.87 0.00 -1.37 -2.90 119.26 121.60 3fkz h ALA 56 Ca 0.17 -0.07 0.13 0.00 0.00 0.00 0.00 54.91 55.14 3fkz h ALA 56 Cb -0.04 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 3fkz h ALA 56 CO -0.03 0.09 0.39 0.28 0.00 0.00 0.00 179.25 179.98 3fkz h VAL 57 N 0.00 0.52 0.00 0.00 2.07 -1.42 0.45 116.25 117.87 3fkz h VAL 57 Ca -0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 3fkz h VAL 57 Cb 0.17 0.70 0.00 0.00 -1.52 0.00 0.00 31.29 30.65 3fkz h VAL 57 CO 0.01 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.60 3fkz n SER 59 N -1.64 3.18 0.00 0.00 7.64 0.16 -4.99 113.62 117.96 3fkz n SER 59 Ca 0.02 -1.92 0.00 0.00 1.01 0.00 0.00 58.87 57.98 3fkz n SER 59 Cb 0.10 -0.23 0.00 0.00 -1.01 0.00 0.00 64.21 63.07 3fkz n SER 59 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3fkz n GLN 60 N 1.17 0.00 -2.89 1.43 6.02 0.40 -5.00 117.38 118.51 3fkz n GLN 60 Ca 0.16 0.00 -0.43 0.00 -0.01 0.00 0.00 57.00 56.72 3fkz n GLN 60 Cb 0.52 0.00 -0.05 0.00 1.02 0.00 0.00 30.24 31.73 3fkz n GLN 60 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.06 176.26 3fkz s LYS 61 N 3.58 3.57 0.11 -1.09 2.47 -0.96 -4.85 119.74 122.57 3fkz s LYS 61 Ca 0.00 0.14 -0.31 0.00 -1.56 0.00 0.00 55.97 54.25 3fkz s LYS 61 Cb 0.00 -3.89 -0.08 0.00 -1.46 0.00 0.00 37.83 32.40 3fkz s LYS 61 CO 0.00 -1.08 1.35 1.21 0.16 0.00 0.00 175.35 176.99 3fkz s ASN 62 N 2.10 6.87 0.08 1.43 3.84 -1.26 0.44 114.94 128.43 3fkz s ASN 62 Ca 0.34 2.28 -0.02 0.00 0.21 0.00 0.00 52.86 55.67 3fkz s ASN 62 Cb -0.12 -2.59 -0.04 0.00 -0.55 0.00 0.00 41.25 37.96 3fkz s ASN 62 CO 0.22 -0.62 0.02 0.68 -2.79 0.00 0.00 177.10 174.62 3fkz s VAL 63 N 1.03 0.17 0.29 -5.21 -7.23 -0.36 -4.90 120.40 104.19 3fkz s VAL 63 Ca 0.63 -1.78 -0.29 0.00 -1.81 0.00 0.00 61.98 58.73 3fkz s VAL 63 Cb -0.36 -1.67 -0.10 0.00 0.56 0.00 0.00 36.38 34.81 3fkz s VAL 63 CO 0.31 -0.79 1.31 0.00 -0.31 0.00 0.00 175.10 175.61 3fkz s ALA 64 N -3.96 3.51 0.65 1.32 0.00 -1.26 -3.81 121.76 118.22 3fkz s ALA 64 Ca 0.12 1.21 -0.14 0.00 0.00 0.00 0.00 51.96 53.15 3fkz s ALA 64 Cb 0.07 -3.48 -0.01 0.00 0.00 0.00 0.00 23.12 19.71 3fkz s ALA 64 CO -0.06 -0.60 1.08 0.00 0.00 0.00 0.00 175.76 176.18 3fkz h LYS 66 N -0.03 0.84 -0.19 0.00 1.79 -1.89 0.45 116.57 117.55 3fkz h LYS 66 Ca -0.46 -0.05 0.00 0.00 -2.18 0.00 0.00 60.65 57.96 3fkz h LYS 66 Cb 1.23 -0.19 0.00 0.00 -1.58 0.00 0.00 32.23 31.69 3fkz h LYS 66 CO 0.56 0.56 0.00 0.27 -1.08 0.00 0.00 179.45 179.76 3fkz n ASN 67 N -4.70 0.92 0.00 0.86 0.23 -1.26 -4.90 115.26 106.41 3fkz n ASN 67 Ca 0.21 -2.01 0.00 0.00 -0.53 0.00 0.00 54.58 52.26 3fkz n ASN 67 Cb 0.47 -0.12 0.00 0.00 -2.08 0.00 0.00 39.78 38.04 3fkz n ASN 67 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3fkz n GLY 68 N 0.74 2.01 3.73 4.83 0.00 0.16 -5.03 105.19 111.64 3fkz n GLY 68 Ca 0.06 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.77 3fkz n GLY 68 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3fkz s GLN 69 N -0.19 1.76 0.00 1.61 -0.21 -1.26 -4.68 119.66 116.69 3fkz s GLN 69 Ca 0.00 1.23 0.21 0.00 0.02 0.00 0.00 55.36 56.82 3fkz s GLN 69 Cb 0.00 -1.84 0.53 0.00 1.00 0.00 0.00 33.01 32.70 3fkz s GLN 69 CO 0.00 -2.01 1.45 0.25 -2.12 0.00 0.00 175.29 172.86 3fkz n THR 70 N -3.78 0.83 -1.38 -0.19 -2.24 -1.26 -1.42 114.28 104.85 3fkz n THR 70 Ca 0.09 -0.92 -0.30 0.00 -2.27 0.00 0.00 64.05 60.66 3fkz n THR 70 Cb 0.53 0.66 0.11 0.00 -2.10 0.00 0.00 70.33 69.52 3fkz n THR 70 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 3fkz n ASN 71 N 1.44 6.22 -4.71 3.42 6.94 -1.26 -4.85 115.26 122.45 3fkz n ASN 71 Ca 0.21 -3.74 -0.33 0.00 -0.02 0.00 0.00 54.58 50.69 3fkz n ASN 71 Cb 0.59 -0.87 -0.08 0.00 -2.36 0.00 0.00 39.78 37.05 3fkz n ASN 71 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3fkz s TYR 73 N -1.07 0.78 -0.11 0.00 1.51 0.12 -1.22 117.35 117.36 3fkz s TYR 73 Ca 0.19 -0.34 -0.01 0.00 -1.01 0.00 0.00 57.07 55.91 3fkz s TYR 73 Cb -0.12 -0.47 -0.02 0.00 -0.11 0.00 0.00 41.96 41.24 3fkz s TYR 73 CO 0.09 -0.03 -0.08 -1.14 -1.11 0.00 0.00 175.55 173.28 3fkz s GLN 74 N -1.03 3.18 0.30 -0.62 0.74 0.17 -1.15 119.66 121.25 3fkz s GLN 74 Ca -0.03 -0.59 -0.29 0.00 0.05 0.00 0.00 55.36 54.50 3fkz s GLN 74 Cb -0.07 -2.68 -0.10 0.00 1.10 0.00 0.00 33.01 31.26 3fkz s GLN 74 CO 0.00 0.41 1.22 -1.54 -0.55 0.00 0.00 175.29 174.84 3fkz s SER 75 N -0.14 6.99 0.16 6.67 1.04 -0.54 -2.26 113.70 125.62 3fkz s SER 75 Ca 0.01 2.49 -0.11 0.00 0.48 0.00 0.00 55.95 58.83 3fkz s SER 75 Cb -0.13 -2.64 0.02 0.00 0.10 0.00 0.00 66.02 63.37 3fkz s SER 75 CO 0.03 -0.37 1.58 1.88 0.98 0.00 0.00 173.24 177.33 3fkz h TYR 76 N 3.73 1.10 -2.88 5.02 0.05 -1.96 -3.42 116.97 118.60 3fkz h TYR 76 Ca -0.48 -0.23 -0.51 0.00 0.05 0.00 0.00 58.73 57.56 3fkz h TYR 76 Cb 1.22 -0.27 -0.01 0.00 1.01 0.00 0.00 36.73 38.68 3fkz h TYR 76 CO 0.58 1.04 -0.24 -1.12 -1.05 0.00 0.00 178.16 177.36 3fkz s SER 77 N -6.59 6.37 0.69 3.88 0.01 -1.26 -5.01 113.70 111.78 3fkz s SER 77 Ca -0.12 0.48 -0.11 0.00 1.31 0.00 0.00 55.95 57.51 3fkz s SER 77 Cb 0.12 -2.04 0.00 0.00 0.21 0.00 0.00 66.02 64.31 3fkz s SER 77 CO 0.85 -0.17 1.06 0.42 0.41 0.00 0.00 173.24 175.81 3fkz s THR 78 N -2.08 4.10 0.10 1.44 -4.23 -1.26 -4.52 115.64 109.19 3fkz s THR 78 Ca 0.40 0.68 0.05 0.00 -1.18 0.00 0.00 61.69 61.64 3fkz s THR 78 Cb -0.10 -3.47 -0.04 0.00 1.34 0.00 0.00 72.50 70.23 3fkz s THR 78 CO 0.32 -0.89 -0.12 -0.04 -0.54 0.00 0.00 174.62 173.34 3fkz s MET 79 N -5.07 0.92 -0.09 3.99 -1.94 0.12 -4.83 119.30 112.39 3fkz s MET 79 Ca 0.58 -1.16 -0.30 0.00 -1.71 0.00 0.00 55.69 53.10 3fkz s MET 79 Cb -0.13 -0.74 -0.03 0.00 2.01 0.00 0.00 34.83 35.94 3fkz s MET 79 CO 0.55 0.14 1.22 0.45 -0.01 0.00 0.00 175.02 177.37 3fkz s SER 80 N -2.33 7.01 0.11 3.03 0.15 -1.26 -1.42 113.70 118.99 3fkz s SER 80 Ca 0.06 1.78 -0.02 0.00 0.70 0.00 0.00 55.95 58.46 3fkz s SER 80 Cb -0.05 -2.55 -0.03 0.00 -1.71 0.00 0.00 66.02 61.67 3fkz s SER 80 CO 0.02 -0.64 0.06 0.27 1.20 0.00 0.00 173.24 174.15 3fkz s ILE 81 N 2.63 0.13 -0.08 6.45 -4.36 -0.14 -1.29 121.20 124.55 3fkz s ILE 81 Ca 0.55 -1.79 -0.01 0.00 -0.26 0.00 0.00 60.65 59.15 3fkz s ILE 81 Cb -0.24 -1.84 0.03 0.00 1.25 0.00 0.00 42.46 41.66 3fkz s ILE 81 CO 0.20 -0.60 -0.02 -0.89 0.24 0.00 0.00 174.94 173.86 3fkz s THR 82 N -3.99 0.55 -0.10 8.37 2.01 -0.53 -1.52 115.64 120.42 3fkz s THR 82 Ca 0.18 -0.00 -0.11 0.00 0.31 0.00 0.00 61.69 62.07 3fkz s THR 82 Cb 0.07 -0.66 -0.05 0.00 0.01 0.00 0.00 72.50 71.88 3fkz s THR 82 CO -0.02 0.28 0.25 -1.81 -0.69 0.00 0.00 174.62 172.62 3fkz s ASP 83 N 1.78 6.51 -0.15 3.53 -0.00 -0.20 -0.71 116.67 127.43 3fkz s ASP 83 Ca 0.03 0.60 0.01 0.00 -0.00 0.00 0.00 52.55 53.19 3fkz s ASP 83 Cb -0.13 -2.14 0.00 0.00 -0.00 0.00 0.00 42.92 40.65 3fkz s ASP 83 CO -0.05 0.31 -0.18 0.00 -0.00 0.00 0.00 175.17 175.25 3fkz s ARG 85 N 0.80 1.10 0.34 0.00 0.52 -0.99 -1.27 118.95 119.45 3fkz s ARG 85 Ca -0.06 -0.52 -0.29 0.00 -0.52 0.00 0.00 55.73 54.33 3fkz s ARG 85 Cb -0.15 -1.07 -0.12 0.00 0.52 0.00 0.00 34.95 34.13 3fkz s ARG 85 CO -0.00 0.29 1.46 0.39 0.02 0.00 0.00 175.30 177.45 3fkz n GLU 86 N 2.64 2.49 -2.08 3.54 1.02 -0.89 -0.05 120.64 127.31 3fkz n GLU 86 Ca -0.15 0.88 -0.29 0.00 -0.02 0.00 0.00 57.16 57.59 3fkz n GLU 86 Cb 0.55 -2.58 0.18 0.00 -0.02 0.00 0.00 31.44 29.58 3fkz n GLU 86 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 3fkz s THR 87 N -0.77 2.01 0.27 2.62 -4.23 0.72 -4.76 115.64 111.51 3fkz s THR 87 Ca 0.57 -0.13 0.10 0.00 -1.18 0.00 0.00 61.69 61.05 3fkz s THR 87 Cb -0.52 -2.88 -0.02 0.00 1.34 0.00 0.00 72.50 70.42 3fkz s THR 87 CO 0.59 0.00 1.62 1.23 -0.54 0.00 0.00 174.62 177.52 3fkz h GLY 88 N -1.49 0.03 -1.18 3.99 0.00 -1.94 -2.96 103.07 99.52 3fkz h GLY 88 Ca -0.42 -0.04 0.00 0.00 0.00 0.00 0.00 47.33 46.87 3fkz h GLY 88 CO 0.35 0.04 0.00 -1.14 0.00 0.00 0.00 176.54 175.78 3fkz n SER 89 N -3.83 2.02 -4.73 0.19 3.41 -1.26 -4.89 113.62 104.52 3fkz n SER 89 Ca -0.01 -1.83 -0.41 0.00 -0.26 0.00 0.00 58.87 56.36 3fkz n SER 89 Cb 0.60 -0.17 -0.04 0.00 -0.26 0.00 0.00 64.21 64.35 3fkz n SER 89 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 3fkz s SER 90 N -1.39 7.20 -0.24 4.04 0.15 -1.12 -4.89 113.70 117.45 3fkz s SER 90 Ca 0.31 2.07 -0.04 0.00 0.70 0.00 0.00 55.95 58.99 3fkz s SER 90 Cb 0.17 -2.60 0.13 0.00 -1.71 0.00 0.00 66.02 62.01 3fkz s SER 90 CO 0.24 -0.31 0.44 -0.75 1.20 0.00 0.00 173.24 174.06 3fkz s LYS 91 N 0.10 0.38 0.25 5.44 2.20 -0.94 -4.88 119.74 122.29 3fkz s LYS 91 Ca 0.52 0.81 -0.29 0.00 -0.36 0.00 0.00 55.97 56.65 3fkz s LYS 91 Cb -0.29 -0.01 -0.15 0.00 -1.51 0.00 0.00 37.83 35.87 3fkz s LYS 91 CO 0.33 -0.50 0.91 0.98 -0.36 0.00 0.00 175.35 176.71 3fkz n TYR 92 N 5.39 0.83 0.71 4.03 9.36 -1.26 -0.42 117.16 135.80 3fkz n TYR 92 Ca -0.05 0.77 0.06 0.00 3.32 0.00 0.00 57.90 62.00 3fkz n TYR 92 Cb 0.50 -2.18 0.17 0.00 -0.63 0.00 0.00 39.34 37.20 3fkz n TYR 92 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 3fkz n PRO 93 N 0.91 2.00 -3.11 2.98 -0.04 -1.26 -4.97 135.00 131.50 3fkz n PRO 93 Ca 0.12 -1.39 -0.44 0.00 -0.04 0.00 0.00 63.50 61.75 3fkz n PRO 93 Cb 0.29 -1.36 0.00 0.00 -0.04 0.00 0.00 33.50 32.40 3fkz n PRO 93 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 3fkz n ASN 94 N 0.58 5.60 -4.78 3.54 5.03 0.44 -5.01 115.26 120.66 3fkz n ASN 94 Ca 0.13 -3.10 -0.34 0.00 0.87 0.00 0.00 54.58 52.13 3fkz n ASN 94 Cb 0.36 -1.41 0.00 0.00 -1.02 0.00 0.00 39.78 37.72 3fkz n ASN 94 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3fkz s ALA 96 N -1.95 -0.73 0.05 0.00 0.00 -1.26 -4.88 121.76 112.99 3fkz s ALA 96 Ca 0.70 1.00 0.04 0.00 0.00 0.00 0.00 51.96 53.71 3fkz s ALA 96 Cb -0.21 -0.61 -0.02 0.00 0.00 0.00 0.00 23.12 22.28 3fkz s ALA 96 CO 0.28 -0.18 -0.13 0.71 0.00 0.00 0.00 175.76 176.45 3fkz s TYR 97 N 0.72 1.11 -0.18 0.00 2.02 -1.26 -0.20 117.35 119.56 3fkz s TYR 97 Ca -0.05 -0.38 -0.10 0.00 -0.37 0.00 0.00 57.07 56.17 3fkz s TYR 97 Cb -0.06 -0.65 -0.05 0.00 -0.40 0.00 0.00 41.96 40.80 3fkz s TYR 97 CO -0.05 0.02 0.16 0.21 -1.57 0.00 0.00 175.55 174.33 3fkz s LYS 98 N -1.29 4.08 -0.13 -0.62 2.20 0.93 -4.61 119.74 120.30 3fkz s LYS 98 Ca -0.01 -0.14 -0.17 0.00 -0.36 0.00 0.00 55.97 55.29 3fkz s LYS 98 Cb -0.08 -3.38 -0.04 0.00 -1.51 0.00 0.00 37.83 32.81 3fkz s LYS 98 CO 0.01 0.37 0.43 0.99 -0.36 0.00 0.00 175.35 176.80 3fkz s THR 99 N 0.13 5.22 -0.21 3.43 2.01 -1.26 -2.35 115.64 122.60 3fkz s THR 99 Ca 0.11 0.86 -0.04 0.00 0.31 0.00 0.00 61.69 62.93 3fkz s THR 99 Cb -0.12 -3.77 0.07 0.00 0.01 0.00 0.00 72.50 68.69 3fkz s THR 99 CO 0.00 0.34 0.07 -0.89 -0.69 0.00 0.00 174.62 173.45 3fkz s THR 100 N 0.61 0.26 0.46 -0.82 2.01 -0.20 -4.97 115.64 113.00 3fkz s THR 100 Ca 0.24 -0.51 -0.15 0.00 0.31 0.00 0.00 61.69 61.58 3fkz s THR 100 Cb -0.15 -0.91 -0.08 0.00 0.01 0.00 0.00 72.50 71.38 3fkz s THR 100 CO 0.09 -0.33 0.90 -1.10 -0.69 0.00 0.00 174.62 173.48 3fkz s GLN 101 N 1.97 3.91 0.10 4.92 -0.21 -1.26 -1.04 119.66 128.05 3fkz s GLN 101 Ca 0.02 0.79 -0.26 0.00 0.02 0.00 0.00 55.36 55.93 3fkz s GLN 101 Cb -0.17 -2.24 0.08 0.00 1.00 0.00 0.00 33.01 31.69 3fkz s GLN 101 CO -0.13 -0.16 1.01 0.00 -2.12 0.00 0.00 175.29 173.89 3fkz s ALA 102 N -2.48 -1.78 -0.24 6.09 0.00 -0.58 -4.97 121.76 117.81 3fkz s ALA 102 Ca 0.56 0.34 0.02 0.00 0.00 0.00 0.00 51.96 52.89 3fkz s ALA 102 Cb -0.10 0.56 0.06 0.00 0.00 0.00 0.00 23.12 23.63 3fkz s ALA 102 CO 0.29 -1.00 -0.09 -0.80 0.00 0.00 0.00 175.76 174.16 3fkz s ASN 103 N -2.88 4.03 0.11 0.00 -0.87 -1.26 -0.97 114.94 113.10 3fkz s ASN 103 Ca 0.12 -1.21 -0.07 0.00 -1.57 0.00 0.00 52.86 50.12 3fkz s ASN 103 Cb -0.00 -1.37 -0.01 0.00 -0.02 0.00 0.00 41.25 39.85 3fkz s ASN 103 CO -0.00 -0.19 0.19 -0.54 -2.57 0.00 0.00 177.10 173.99 3fkz s LYS 104 N 1.26 0.93 -0.10 -0.60 1.02 -0.51 -4.79 119.74 116.96 3fkz s LYS 104 Ca -0.06 -1.10 -0.26 0.00 0.02 0.00 0.00 55.97 54.57 3fkz s LYS 104 Cb -0.19 0.33 -0.02 0.00 -0.52 0.00 0.00 37.83 37.43 3fkz s LYS 104 CO -0.06 -0.30 0.83 -1.01 -0.92 0.00 0.00 175.35 173.89 3fkz s HIS 105 N -3.92 3.53 0.37 3.18 3.76 -1.26 0.12 115.29 121.07 3fkz s HIS 105 Ca 0.11 1.37 -0.05 0.00 -0.15 0.00 0.00 55.06 56.34 3fkz s HIS 105 Cb 0.05 -2.98 -0.05 0.00 1.11 0.00 0.00 32.58 30.71 3fkz s HIS 105 CO -0.06 -0.08 0.64 0.42 -0.85 0.00 0.00 174.74 174.81 3fkz s ILE 106 N 1.46 4.98 -0.11 0.60 1.01 -1.26 0.22 121.20 128.09 3fkz s ILE 106 Ca 0.42 0.06 -0.00 0.00 0.00 0.00 0.00 60.65 61.12 3fkz s ILE 106 Cb -0.18 -3.80 0.02 0.00 0.01 0.00 0.00 42.46 38.52 3fkz s ILE 106 CO 0.18 -0.54 -0.08 -0.63 0.00 0.00 0.00 174.94 173.87 3fkz s ILE 107 N -2.35 0.99 0.13 2.92 1.01 0.92 -1.46 121.20 123.36 3fkz s ILE 107 Ca 0.45 -0.28 0.08 0.00 0.00 0.00 0.00 60.65 60.90 3fkz s ILE 107 Cb -0.10 -1.01 -0.04 0.00 0.01 0.00 0.00 42.46 41.32 3fkz s ILE 107 CO 0.35 0.36 -0.18 0.68 0.00 0.00 0.00 174.94 176.15 3fkz s VAL 108 N 1.63 1.65 -0.12 2.92 -7.23 -0.30 -0.55 120.40 118.40 3fkz s VAL 108 Ca 0.03 -1.73 -0.12 0.00 -1.81 0.00 0.00 61.98 58.35 3fkz s VAL 108 Cb -0.13 -1.65 -0.05 0.00 0.56 0.00 0.00 36.38 35.12 3fkz s VAL 108 CO -0.07 -0.25 0.27 0.00 -0.31 0.00 0.00 175.10 174.74 3fkz s ALA 109 N -1.74 3.68 0.11 1.32 0.00 -0.00 -0.71 121.76 124.42 3fkz s ALA 109 Ca 0.10 -0.47 0.09 0.00 0.00 0.00 0.00 51.96 51.69 3fkz s ALA 109 Cb -0.07 -2.28 -0.04 0.00 0.00 0.00 0.00 23.12 20.73 3fkz s ALA 109 CO 0.05 0.29 -0.19 0.00 0.00 0.00 0.00 175.76 175.91 3fkz s GLU 111 N -2.03 1.31 0.46 0.00 -1.05 -0.14 -4.88 118.70 112.36 3fkz s GLU 111 Ca 0.17 -0.53 0.00 0.00 -0.15 0.00 0.00 54.97 54.46 3fkz s GLU 111 Cb -0.10 0.58 0.00 0.00 -0.44 0.00 0.00 34.13 34.17 3fkz s GLU 111 CO 0.09 -0.57 0.00 0.41 0.95 0.00 0.00 175.26 176.14 3fkz n GLY 112 N -0.38 -2.32 2.63 -3.83 0.00 -1.26 -2.09 105.19 97.94 3fkz n GLY 112 Ca -0.16 -1.62 -0.26 0.00 0.00 0.00 0.00 46.02 43.98 3fkz n GLY 112 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3fkz s ASN 113 N -3.01 2.34 0.72 1.61 3.04 -1.26 -2.12 114.94 116.26 3fkz s ASN 113 Ca 0.00 -0.60 -0.16 0.00 0.04 0.00 0.00 52.86 52.14 3fkz s ASN 113 Cb 0.00 -0.28 -0.01 0.00 -1.54 0.00 0.00 41.25 39.42 3fkz s ASN 113 CO 0.00 -0.34 0.83 -0.81 -3.04 0.00 0.00 177.10 173.74 3fkz n PRO 114 N 5.25 0.45 -2.56 0.43 -0.04 -1.26 -5.08 135.00 132.19 3fkz n PRO 114 Ca -0.07 0.20 -0.41 0.00 -0.04 0.00 0.00 63.50 63.18 3fkz n PRO 114 Cb 0.49 -2.09 -0.03 0.00 -0.04 0.00 0.00 33.50 31.83 3fkz n PRO 114 CO 0.00 0.00 0.00 -0.47 -0.04 0.00 0.00 175.50 174.99 3fkz s TYR 115 N -1.84 2.35 0.20 0.54 5.04 -0.90 -4.84 117.35 117.89 3fkz s TYR 115 Ca 0.71 0.05 0.06 0.00 -2.44 0.00 0.00 57.07 55.45 3fkz s TYR 115 Cb -0.35 -4.60 -0.05 0.00 0.35 0.00 0.00 41.96 37.31 3fkz s TYR 115 CO 0.53 -1.97 -0.11 0.14 -1.34 0.00 0.00 175.55 172.79 3fkz s VAL 116 N 5.56 1.50 0.16 3.14 -7.23 -0.89 -4.82 120.40 117.83 3fkz s VAL 116 Ca 0.37 -2.14 -0.31 0.00 -1.81 0.00 0.00 61.98 58.08 3fkz s VAL 116 Cb -0.08 -2.05 -0.10 0.00 0.56 0.00 0.00 36.38 34.71 3fkz s VAL 116 CO 0.17 -0.59 1.55 -2.84 -0.31 0.00 0.00 175.10 173.08 3fkz s PRO 117 N -3.70 4.23 0.00 4.82 0.02 -1.26 -0.97 135.00 138.13 3fkz s PRO 117 Ca 0.22 2.33 0.00 0.00 0.02 0.00 0.00 61.00 63.57 3fkz s PRO 117 Cb 0.01 -3.17 0.00 0.00 0.02 0.00 0.00 34.50 31.36 3fkz s PRO 117 CO 0.06 -0.59 0.00 1.33 -0.33 0.00 0.00 177.00 177.47 3fkz n VAL 118 N 3.98 0.00 -3.72 3.83 0.24 0.88 -4.91 118.33 118.63 3fkz n VAL 118 Ca 0.14 -0.28 -0.13 0.00 -2.04 0.00 0.00 64.34 62.03 3fkz n VAL 118 Cb 0.39 0.81 -0.10 0.00 -1.47 0.00 0.00 33.84 33.47 3fkz n VAL 118 CO 0.00 0.00 0.00 -2.28 -2.14 0.00 0.00 176.83 172.41 3fkz s HIS 119 N -1.09 -0.49 -0.46 6.34 5.65 -1.09 -4.98 115.29 119.17 3fkz s HIS 119 Ca 0.00 1.15 -0.19 0.00 0.25 0.00 0.00 55.06 56.27 3fkz s HIS 119 Cb 0.00 0.18 0.04 0.00 -1.18 0.00 0.00 32.58 31.62 3fkz s HIS 119 CO 0.00 -0.24 0.59 0.12 -0.65 0.00 0.00 174.74 174.56 3fkz s PHE 120 N 0.45 3.08 -0.02 3.88 2.19 -1.26 -0.82 117.98 125.48 3fkz s PHE 120 Ca -0.02 -0.33 -0.17 0.00 0.33 0.00 0.00 56.93 56.74 3fkz s PHE 120 Cb -0.04 -3.34 -0.33 0.00 -1.31 0.00 0.00 43.02 38.00 3fkz s PHE 120 CO -0.02 -0.91 0.88 0.22 1.83 0.00 0.00 175.22 177.22 3fkz h ASP 121 N 8.90 0.66 -5.97 6.13 3.58 -1.16 -3.48 116.42 125.07 3fkz h ASP 121 Ca -0.26 -0.93 0.40 0.00 0.42 0.00 0.00 57.03 56.66 3fkz h ASP 121 Cb 1.10 -0.21 -0.09 0.00 1.72 0.00 0.00 39.33 41.84 3fkz h ASP 121 CO 0.90 1.62 1.00 0.00 -2.88 0.00 0.00 179.24 179.88 3fkz s ALA 122 N -2.53 -2.70 0.00 -0.78 0.00 -1.09 -4.87 121.76 109.79 3fkz s ALA 122 Ca -0.13 0.34 0.03 0.00 0.00 0.00 0.00 51.96 52.21 3fkz s ALA 122 Cb 0.03 0.78 -0.01 0.00 0.00 0.00 0.00 23.12 23.92 3fkz s ALA 122 CO 0.88 -1.15 -0.09 -1.54 0.00 0.00 0.00 175.76 173.86 3fkz s SER 123 N -3.72 1.04 0.00 0.00 1.04 -1.26 -0.06 113.70 110.74 3fkz s SER 123 Ca 0.28 -0.21 0.00 0.00 0.48 0.00 0.00 55.95 56.49 3fkz s SER 123 Cb 0.02 -0.10 0.00 0.00 0.10 0.00 0.00 66.02 66.04 3fkz s SER 123 CO -0.04 0.07 0.00 1.33 0.98 0.00 0.00 173.24 175.58