#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 4.31 0.79 1.64 2.12 -1.26 -5.01 118.70 121.29 3fkz s GLU 2 Ca 0.00 1.36 -0.12 0.00 0.36 0.00 0.00 54.97 56.57 3fkz s GLU 2 Cb 0.00 -3.61 0.07 0.00 0.26 0.00 0.00 34.13 30.85 3fkz s GLU 2 CO 0.00 -0.53 1.11 0.95 -0.54 0.00 0.00 175.26 176.25 3fkz s THR 3 N 2.81 2.94 0.17 -1.70 -4.23 -1.26 -4.84 115.64 109.53 3fkz s THR 3 Ca 0.45 0.30 -0.14 0.00 -1.18 0.00 0.00 61.69 61.12 3fkz s THR 3 Cb -0.16 -3.12 0.06 0.00 1.34 0.00 0.00 72.50 70.61 3fkz s THR 3 CO 0.10 -0.40 1.80 0.00 -0.54 0.00 0.00 174.62 175.58 3fkz h ALA 4 N -1.05 0.61 -0.76 3.99 0.00 -1.99 -0.28 119.26 119.78 3fkz h ALA 4 Ca -0.47 0.00 0.02 0.00 0.00 0.00 0.00 54.91 54.46 3fkz h ALA 4 Cb 1.28 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.91 3fkz h ALA 4 CO 0.61 -0.05 0.49 0.00 0.00 0.00 0.00 179.25 180.30 3fkz h ALA 5 N 1.23 0.98 -0.30 0.00 0.00 -2.00 -1.44 119.26 117.73 3fkz h ALA 5 Ca 0.20 -0.04 -0.11 0.00 0.00 0.00 0.00 54.91 54.96 3fkz h ALA 5 Cb 0.05 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 3fkz h ALA 5 CO -0.11 0.31 -0.27 0.00 0.00 0.00 0.00 179.25 179.19 3fkz h ALA 6 N 1.30 0.98 -0.70 0.00 0.00 -1.81 -2.25 119.26 116.78 3fkz h ALA 6 Ca 0.29 -0.37 -0.05 0.00 0.00 0.00 0.00 54.91 54.78 3fkz h ALA 6 Cb -0.04 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.59 3fkz h ALA 6 CO -0.09 0.60 0.24 -0.22 0.00 0.00 0.00 179.25 179.78 3fkz h LYS 7 N 0.52 1.08 -0.46 0.00 3.64 -0.57 0.93 116.57 121.70 3fkz h LYS 7 Ca 0.07 -0.22 -0.01 0.00 -1.27 0.00 0.00 60.65 59.23 3fkz h LYS 7 Cb 0.74 -0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 32.37 3fkz h LYS 7 CO 0.06 0.91 0.27 0.35 -2.27 0.00 0.00 179.45 178.76 3fkz h PHE 8 N 1.02 0.62 -0.88 1.91 3.04 -1.09 -1.01 116.94 120.56 3fkz h PHE 8 Ca 0.23 -0.01 -0.01 0.00 3.98 0.00 0.00 57.97 62.16 3fkz h PHE 8 Cb 0.27 -0.20 -0.04 0.00 2.56 0.00 0.00 35.95 38.53 3fkz h PHE 8 CO 0.02 0.45 0.51 0.93 -2.02 0.00 0.00 178.31 178.21 3fkz h GLU 9 N 0.61 1.20 -0.25 1.11 5.08 -0.73 1.00 114.58 122.60 3fkz h GLU 9 Ca 0.16 -0.12 -0.04 0.00 -1.00 0.00 0.00 59.36 58.37 3fkz h GLU 9 Cb 0.03 -0.25 -0.01 0.00 0.50 0.00 0.00 28.75 29.02 3fkz h GLU 9 CO -0.03 0.86 0.01 -0.09 -1.00 0.00 0.00 179.01 178.76 3fkz h ARG 10 N 1.21 0.43 -0.03 2.33 2.43 -0.58 -0.90 114.38 119.28 3fkz h ARG 10 Ca 0.31 -0.13 -0.14 0.00 -0.81 0.00 0.00 59.98 59.20 3fkz h ARG 10 Cb -0.02 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.47 3fkz h ARG 10 CO -0.06 0.60 -0.64 1.96 -1.51 0.00 0.00 179.97 180.32 3fkz h GLN 11 N 0.22 0.13 0.00 0.20 4.20 -1.04 -3.40 115.11 115.41 3fkz h GLN 11 Ca 0.07 -0.09 0.00 0.00 0.06 0.00 0.00 58.65 58.69 3fkz h GLN 11 Cb 0.40 0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.19 3fkz h GLN 11 CO 0.01 0.72 0.00 0.72 -0.67 0.00 0.00 178.83 179.61 3fkz n HIS 12 N -3.82 0.00 -3.68 2.96 8.25 0.33 -5.04 115.22 114.23 3fkz n HIS 12 Ca -0.02 0.00 -0.36 0.00 -0.26 0.00 0.00 57.72 57.08 3fkz n HIS 12 Cb 0.64 0.00 -0.09 0.00 1.12 0.00 0.00 29.99 31.66 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 -0.47 4.09 -0.40 -0.41 -1.94 -0.35 -4.96 119.30 114.86 3fkz s MET 13 Ca 0.00 -0.26 0.10 0.00 -1.71 0.00 0.00 55.69 53.82 3fkz s MET 13 Cb 0.00 -3.51 0.32 0.00 2.01 0.00 0.00 34.83 33.65 3fkz s MET 13 CO 0.00 0.11 0.78 -3.47 -0.01 0.00 0.00 175.02 172.44 3fkz n ASP 14 N 4.12 -0.18 -4.74 3.03 2.03 -1.26 -4.87 116.55 114.67 3fkz n ASP 14 Ca -0.15 -3.12 -0.42 0.00 0.52 0.00 0.00 54.79 51.62 3fkz n ASP 14 Cb 0.52 0.06 -0.01 0.00 -0.72 0.00 0.00 41.12 40.97 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 0.59 3.71 -0.84 1.67 7.64 -1.26 -2.56 113.62 122.56 3fkz n SER 15 Ca 0.19 1.17 -0.11 0.00 1.01 0.00 0.00 58.87 61.13 3fkz n SER 15 Cb 0.64 -1.58 -0.05 0.00 -1.01 0.00 0.00 64.21 62.21 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 1.73 1.18 1.22 0.23 0.00 -1.26 -4.88 105.19 103.41 3fkz n GLY 16 Ca 0.07 -0.29 0.03 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.34 1.64 -4.66 1.61 5.15 -1.06 -4.88 115.26 112.72 3fkz n ASN 17 Ca -0.11 -2.99 -0.35 0.00 -0.60 0.00 0.00 54.58 50.53 3fkz n ASN 17 Cb 0.43 -0.42 0.10 0.00 -0.53 0.00 0.00 39.78 39.36 3fkz n ASN 17 CO 0.00 0.00 0.00 -1.54 1.40 0.00 0.00 177.26 177.12 3fkz n SER 18 N -0.39 0.90 0.15 1.20 3.41 -1.26 -4.75 113.62 112.88 3fkz n SER 18 Ca 0.15 0.67 0.08 0.00 -0.26 0.00 0.00 58.87 59.50 3fkz n SER 18 Cb 0.91 -1.46 0.42 0.00 -0.26 0.00 0.00 64.21 63.81 3fkz n SER 18 CO 0.00 0.00 0.00 -2.65 -0.16 0.00 0.00 175.04 172.23 3fkz n PRO 19 N -2.27 0.10 0.18 4.33 -0.02 -1.26 0.18 135.00 136.24 3fkz n PRO 19 Ca 0.14 0.58 0.07 0.00 -2.02 0.00 0.00 63.50 62.27 3fkz n PRO 19 Cb 0.49 -2.02 0.11 0.00 -0.02 0.00 0.00 33.50 32.06 3fkz n PRO 19 CO 0.00 0.00 0.00 0.77 1.98 0.00 0.00 175.50 178.25 3fkz h SER 20 N 0.00 0.00 -2.27 2.55 0.02 -2.00 -3.48 113.55 108.37 3fkz h SER 20 Ca 0.00 0.00 -0.59 0.00 -0.84 0.00 0.00 61.79 60.36 3fkz h SER 20 Cb 0.37 0.00 0.18 0.00 0.14 0.00 0.00 62.40 63.09 3fkz h SER 20 CO 0.00 0.24 -0.96 -1.20 -1.14 0.00 0.00 176.83 173.77 3fkz n SER 21 N -3.16 -2.99 -4.01 3.07 7.64 0.13 -4.66 113.62 109.63 3fkz n SER 21 Ca 0.03 0.67 -0.29 0.00 1.01 0.00 0.00 58.87 60.29 3fkz n SER 21 Cb 0.62 -0.94 0.28 0.00 -1.01 0.00 0.00 64.21 63.17 3fkz n SER 21 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 3fkz n SER 22 N 1.96 -2.77 -2.14 6.43 2.88 -1.26 -4.99 113.62 113.73 3fkz n SER 22 Ca 0.09 -0.46 -0.05 0.00 -1.33 0.00 0.00 58.87 57.12 3fkz n SER 22 Cb 0.47 -1.16 0.02 0.00 -0.75 0.00 0.00 64.21 62.79 3fkz n SER 22 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 3fkz n SER 23 N -5.37 -1.31 -0.96 -3.46 3.41 -1.26 -4.96 113.62 99.70 3fkz n SER 23 Ca 0.06 -1.87 0.06 0.00 -0.26 0.00 0.00 58.87 56.86 3fkz n SER 23 Cb 0.56 2.18 0.20 0.00 -0.26 0.00 0.00 64.21 66.89 3fkz n SER 23 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3fkz n ASN 24 N -1.25 2.77 -0.03 4.04 3.02 -1.26 -4.31 115.26 118.22 3fkz n ASN 24 Ca -0.04 -2.20 -0.08 0.00 -0.03 0.00 0.00 54.58 52.22 3fkz n ASN 24 Cb 0.36 -0.40 -0.02 0.00 -0.61 0.00 0.00 39.78 39.10 3fkz n ASN 24 CO 0.00 0.00 0.00 0.22 -2.62 0.00 0.00 177.26 174.86 3fkz h TYR 25 N 2.35 -0.45 -0.68 3.10 5.03 -1.95 -1.17 116.97 123.20 3fkz h TYR 25 Ca 0.00 0.03 0.00 0.00 2.58 0.00 0.00 58.73 61.34 3fkz h TYR 25 Cb 0.85 0.23 -0.03 0.00 1.55 0.00 0.00 36.73 39.33 3fkz h TYR 25 CO 0.41 -0.25 0.43 0.00 -1.32 0.00 0.00 178.16 177.42 3fkz h ASN 27 N 0.92 0.77 -0.07 0.00 2.35 -1.70 0.30 115.58 118.16 3fkz h ASN 27 Ca 0.25 0.02 -0.05 0.00 -0.55 0.00 0.00 56.30 55.96 3fkz h ASN 27 Cb -0.06 -0.14 0.00 0.00 0.05 0.00 0.00 38.32 38.17 3fkz h ASN 27 CO -0.05 0.50 -0.17 1.56 -1.65 0.00 0.00 177.43 177.62 3fkz h GLN 28 N 0.91 0.24 -0.22 0.81 1.08 -0.67 -3.34 115.11 113.92 3fkz h GLN 28 Ca 0.36 -0.16 -0.20 0.00 -1.45 0.00 0.00 58.65 57.20 3fkz h GLN 28 Cb 0.17 0.02 0.00 0.00 -0.05 0.00 0.00 27.48 27.63 3fkz h GLN 28 CO -0.17 0.76 -0.63 0.52 -0.95 0.00 0.00 178.83 178.36 3fkz h MET 29 N -0.24 0.82 -4.08 1.46 2.86 -0.89 -3.41 114.93 111.45 3fkz h MET 29 Ca -0.00 -0.58 -0.04 0.00 -2.06 0.00 0.00 59.70 57.02 3fkz h MET 29 Cb 0.76 0.09 0.01 0.00 0.06 0.00 0.00 31.60 32.53 3fkz h MET 29 CO 0.04 1.20 0.91 -1.33 1.06 0.00 0.00 176.91 178.79 3fkz n MET 30 N -4.01 0.00 -1.35 1.72 2.81 0.10 -4.54 117.12 111.86 3fkz n MET 30 Ca -0.06 -0.47 -0.12 0.00 -1.81 0.00 0.00 57.70 55.24 3fkz n MET 30 Cb 0.67 -1.92 -0.05 0.00 -0.71 0.00 0.00 33.22 31.21 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 4.92 -1.45 -3.29 0.03 5.12 -1.26 -0.35 116.66 120.37 3fkz n ARG 33 Ca 0.03 0.90 -0.23 0.00 -1.93 0.00 0.00 57.85 56.63 3fkz n ARG 33 Cb 0.03 -5.20 0.06 0.00 -1.16 0.00 0.00 32.46 26.19 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 -0.94 -6.18 -1.27 0.55 4.13 -1.26 -4.91 115.26 105.38 3fkz n ASN 34 Ca -0.12 -0.40 0.12 0.00 1.68 0.00 0.00 54.58 55.85 3fkz n ASN 34 Cb 0.55 -4.90 0.28 0.00 -1.54 0.00 0.00 39.78 34.18 3fkz n ASN 34 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 3fkz n LEU 35 N -4.43 3.72 -0.84 3.41 4.77 0.52 -4.04 117.00 120.11 3fkz n LEU 35 Ca -0.05 -1.77 0.05 0.00 -0.03 0.00 0.00 56.01 54.21 3fkz n LEU 35 Cb 0.59 -0.40 0.12 0.00 -2.33 0.00 0.00 43.42 41.40 3fkz n LEU 35 CO 0.55 0.88 0.27 0.35 -1.33 0.00 0.00 177.39 178.11 3fkz n THR 36 N 1.57 1.19 -0.03 -5.08 -2.24 -1.24 -2.00 114.28 106.45 3fkz n THR 36 Ca 0.22 -2.04 -0.15 0.00 -2.27 0.00 0.00 64.05 59.81 3fkz n THR 36 Cb 0.61 0.26 -0.09 0.00 -2.10 0.00 0.00 70.33 69.01 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 0.79 0.39 -0.00 -0.78 1.79 -1.92 -3.37 116.57 113.46 3fkz h LYS 37 Ca -0.08 -0.31 0.00 0.00 -2.18 0.00 0.00 60.65 58.08 3fkz h LYS 37 Cb 1.35 0.06 0.00 0.00 -1.58 0.00 0.00 32.23 32.07 3fkz h LYS 37 CO 0.03 0.95 -0.09 -0.25 -1.08 0.00 0.00 179.45 179.02 3fkz n ASP 38 N -4.37 0.53 -3.51 0.86 8.00 -1.26 -5.04 116.55 111.76 3fkz n ASP 38 Ca -0.08 -0.76 -0.08 0.00 0.71 0.00 0.00 54.79 54.57 3fkz n ASP 38 Cb 0.53 0.65 -0.02 0.00 -0.02 0.00 0.00 41.12 42.26 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 -0.92 0.82 -0.56 -1.24 1.70 -1.26 -5.10 118.95 112.40 3fkz s ARG 39 Ca 0.02 -0.31 -0.27 0.00 -0.47 0.00 0.00 55.73 54.70 3fkz s ARG 39 Cb 0.02 0.37 0.03 0.00 -0.57 0.00 0.00 34.95 34.81 3fkz s ARG 39 CO 0.09 -0.36 1.12 0.00 -1.08 0.00 0.00 175.30 175.07 3fkz n LYS 41 N 8.14 2.24 -0.33 0.00 4.81 -0.85 -4.82 118.16 127.36 3fkz n LYS 41 Ca 0.07 0.81 -0.04 0.00 -0.87 0.00 0.00 58.31 58.28 3fkz n LYS 41 Cb 0.49 -2.62 0.08 0.00 0.02 0.00 0.00 35.03 33.00 3fkz n LYS 41 CO 0.00 0.00 0.00 -1.00 1.17 0.00 0.00 177.40 177.57 3fkz h PRO 42 N 7.24 1.22 -3.23 1.64 0.13 -1.93 -3.45 132.00 133.63 3fkz h PRO 42 Ca -0.46 -0.14 -0.16 0.00 -0.87 0.00 0.00 66.00 64.37 3fkz h PRO 42 Cb 1.25 -0.24 -0.24 0.00 0.13 0.00 0.00 31.00 31.90 3fkz h PRO 42 CO 0.91 0.89 -0.44 0.08 -0.23 0.00 0.00 178.00 179.21 3fkz s VAL 43 N -5.86 0.02 0.02 1.56 1.01 -1.26 -2.25 120.40 113.64 3fkz s VAL 43 Ca -0.13 -0.19 -0.21 0.00 0.00 0.00 0.00 61.98 61.46 3fkz s VAL 43 Cb 0.17 -0.38 0.04 0.00 0.00 0.00 0.00 36.38 36.21 3fkz s VAL 43 CO 0.82 -0.10 0.46 0.21 0.00 0.00 0.00 175.10 176.49 3fkz s ASN 44 N -0.33 -0.37 -0.06 3.32 2.47 -0.21 -4.99 114.94 114.77 3fkz s ASN 44 Ca -0.04 0.16 0.02 0.00 0.42 0.00 0.00 52.86 53.42 3fkz s ASN 44 Cb -0.03 0.44 0.01 0.00 -1.45 0.00 0.00 41.25 40.22 3fkz s ASN 44 CO 0.01 -0.64 -0.12 -0.89 -3.72 0.00 0.00 177.10 171.74 3fkz s THR 45 N -2.11 1.06 -0.05 -5.21 2.01 -1.26 0.57 115.64 110.65 3fkz s THR 45 Ca -0.07 -0.46 -0.00 0.00 0.31 0.00 0.00 61.69 61.47 3fkz s THR 45 Cb -0.01 -0.97 -0.03 0.00 0.01 0.00 0.00 72.50 71.49 3fkz s THR 45 CO 0.01 0.33 0.00 -0.36 -0.69 0.00 0.00 174.62 173.91 3fkz s PHE 46 N 0.55 3.13 -0.15 4.92 0.08 0.15 -4.96 117.98 121.71 3fkz s PHE 46 Ca -0.12 0.14 -0.03 0.00 0.12 0.00 0.00 56.93 57.05 3fkz s PHE 46 Cb -0.14 -1.73 -0.03 0.00 -0.57 0.00 0.00 43.02 40.55 3fkz s PHE 46 CO 0.03 0.47 -0.05 0.08 -0.10 0.00 0.00 175.22 175.64 3fkz s VAL 47 N -0.98 3.78 -2.63 -0.44 1.01 -1.26 -0.74 120.40 119.14 3fkz s VAL 47 Ca 0.16 -0.40 0.24 0.00 0.00 0.00 0.00 61.98 61.98 3fkz s VAL 47 Cb -0.11 -2.64 0.36 0.00 0.00 0.00 0.00 36.38 33.99 3fkz s VAL 47 CO 0.06 0.51 1.37 1.41 0.00 0.00 0.00 175.10 178.44 3fkz n HIS 48 N 3.42 0.36 -2.01 5.22 -0.00 -0.00 -4.92 115.22 117.29 3fkz n HIS 48 Ca -0.18 -0.18 -0.29 0.00 -0.00 0.00 0.00 57.72 57.07 3fkz n HIS 48 Cb 0.53 0.00 0.05 0.00 -0.00 0.00 0.00 29.99 30.57 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 -1.64 2.67 0.84 -0.41 0.41 -1.26 -4.97 118.70 114.35 3fkz s GLU 49 Ca 0.36 0.26 -0.11 0.00 -0.41 0.00 0.00 54.97 55.07 3fkz s GLU 49 Cb 0.22 -2.07 0.10 0.00 -1.78 0.00 0.00 34.13 30.60 3fkz s GLU 49 CO 0.31 -1.08 1.12 -1.54 -0.49 0.00 0.00 175.26 173.59 3fkz s SER 50 N -4.40 3.72 0.23 -0.19 1.04 -1.26 -4.81 113.70 108.03 3fkz s SER 50 Ca 0.58 2.03 -0.05 0.00 0.48 0.00 0.00 55.95 58.99 3fkz s SER 50 Cb -0.11 -2.55 0.24 0.00 0.10 0.00 0.00 66.02 63.70 3fkz s SER 50 CO 0.49 -2.57 1.73 0.25 0.98 0.00 0.00 173.24 174.13 3fkz h LEU 51 N -1.44 0.88 -0.45 2.42 5.85 -1.96 -2.11 115.31 118.50 3fkz h LEU 51 Ca -0.43 -0.22 0.02 0.00 0.84 0.00 0.00 57.88 58.09 3fkz h LEU 51 Cb 1.25 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 42.02 3fkz h LEU 51 CO 0.46 0.92 0.27 0.00 -0.34 0.00 0.00 178.44 179.76 3fkz h ALA 52 N 1.17 0.57 -0.25 1.25 0.00 -1.99 0.60 119.26 120.62 3fkz h ALA 52 Ca 0.17 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 55.01 3fkz h ALA 52 Cb 0.46 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 3fkz h ALA 52 CO 0.02 -0.04 -0.10 -0.44 0.00 0.00 0.00 179.25 178.68 3fkz h ASP 53 N 0.54 0.39 -0.09 0.00 3.32 -1.83 -1.56 116.42 117.19 3fkz h ASP 53 Ca 0.18 -0.09 -0.18 0.00 0.02 0.00 0.00 57.03 56.96 3fkz h ASP 53 Cb 0.01 -0.10 0.01 0.00 0.22 0.00 0.00 39.33 39.47 3fkz h ASP 53 CO -0.08 0.53 -0.64 0.58 -1.72 0.00 0.00 179.24 177.92 3fkz h VAL 54 N 0.38 1.34 -0.22 -1.35 2.07 -0.70 -3.10 116.25 114.68 3fkz h VAL 54 Ca 0.08 -1.94 -0.00 0.00 0.82 0.00 0.00 66.70 65.66 3fkz h VAL 54 Cb 0.42 2.21 -0.01 0.00 -1.52 0.00 0.00 31.29 32.40 3fkz h VAL 54 CO 0.02 0.59 0.12 1.56 0.02 0.00 0.00 177.57 179.89 3fkz h GLN 55 N 0.22 0.29 0.00 1.57 4.20 -0.69 -1.21 115.11 119.48 3fkz h GLN 55 Ca -0.05 -0.02 -0.03 0.00 0.06 0.00 0.00 58.65 58.61 3fkz h GLN 55 Cb 1.29 -0.06 -0.00 0.00 0.30 0.00 0.00 27.48 29.00 3fkz h GLN 55 CO 0.13 0.21 -0.13 0.00 -0.67 0.00 0.00 178.83 178.37 3fkz h ALA 56 N 1.84 1.25 -0.42 3.87 0.00 -1.21 -2.64 119.26 121.96 3fkz h ALA 56 Ca 0.08 -0.12 0.03 0.00 0.00 0.00 0.00 54.91 54.90 3fkz h ALA 56 Cb -0.00 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 3fkz h ALA 56 CO -0.01 0.16 0.28 0.28 0.00 0.00 0.00 179.25 179.96 3fkz h VAL 57 N 0.00 1.02 0.00 0.00 2.07 -1.24 -0.78 116.25 117.32 3fkz h VAL 57 Ca -0.00 -0.15 0.00 0.00 0.82 0.00 0.00 66.70 67.37 3fkz h VAL 57 Cb 0.38 0.55 0.00 0.00 -1.52 0.00 0.00 31.29 30.71 3fkz h VAL 57 CO 0.02 0.08 0.05 0.00 0.02 0.00 0.00 177.57 177.73 3fkz n SER 59 N -1.71 1.88 0.00 0.00 3.41 -0.30 -4.97 113.62 111.92 3fkz n SER 59 Ca -0.00 -3.33 0.00 0.00 -0.26 0.00 0.00 58.87 55.27 3fkz n SER 59 Cb 0.06 -0.45 0.00 0.00 -0.26 0.00 0.00 64.21 63.56 3fkz n SER 59 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3fkz n GLN 60 N -0.65 0.00 -2.86 4.33 6.02 0.00 -5.03 117.38 119.19 3fkz n GLN 60 Ca 0.18 0.00 -0.43 0.00 -0.01 0.00 0.00 57.00 56.74 3fkz n GLN 60 Cb 0.84 0.00 -0.04 0.00 1.02 0.00 0.00 30.24 32.06 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 3.02 3.74 -0.04 -1.09 2.20 -0.94 -4.90 119.74 121.74 3fkz s LYS 61 Ca 0.00 0.39 -0.30 0.00 -0.36 0.00 0.00 55.97 55.70 3fkz s LYS 61 Cb 0.00 -3.83 -0.03 0.00 -1.51 0.00 0.00 37.83 32.46 3fkz s LYS 61 CO 0.00 -0.97 1.06 1.21 -0.36 0.00 0.00 175.35 176.29 3fkz s ASN 62 N 1.95 7.23 0.17 1.43 3.04 -1.26 0.69 114.94 128.18 3fkz s ASN 62 Ca 0.35 1.70 -0.06 0.00 0.04 0.00 0.00 52.86 54.89 3fkz s ASN 62 Cb -0.12 -2.56 -0.02 0.00 -1.54 0.00 0.00 41.25 37.00 3fkz s ASN 62 CO 0.20 -0.41 0.21 0.68 -3.04 0.00 0.00 177.10 174.74 3fkz s VAL 63 N 1.56 0.06 0.33 -5.21 -7.23 -0.34 -4.92 120.40 104.64 3fkz s VAL 63 Ca 0.52 -1.63 -0.27 0.00 -1.81 0.00 0.00 61.98 58.79 3fkz s VAL 63 Cb -0.22 -2.03 -0.09 0.00 0.56 0.00 0.00 36.38 34.59 3fkz s VAL 63 CO 0.24 -0.27 1.05 0.00 -0.31 0.00 0.00 175.10 175.81 3fkz s ALA 64 N -4.02 3.26 0.69 1.32 0.00 -1.26 -3.48 121.76 118.27 3fkz s ALA 64 Ca 0.23 0.76 -0.11 0.00 0.00 0.00 0.00 51.96 52.84 3fkz s ALA 64 Cb 0.05 -3.28 0.00 0.00 0.00 0.00 0.00 23.12 19.89 3fkz s ALA 64 CO 0.03 -0.12 1.08 0.00 0.00 0.00 0.00 175.76 176.75 3fkz h LYS 66 N -0.60 1.00 -0.19 0.00 1.57 -1.91 -0.97 116.57 115.47 3fkz h LYS 66 Ca -0.45 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.27 3fkz h LYS 66 Cb 1.23 -0.22 0.00 0.00 0.08 0.00 0.00 32.23 33.32 3fkz h LYS 66 CO 0.63 0.66 0.00 0.27 -0.57 0.00 0.00 179.45 180.43 3fkz n ASN 67 N -4.49 0.37 0.00 0.86 0.23 -1.26 -4.86 115.26 106.11 3fkz n ASN 67 Ca 0.13 -2.01 0.00 0.00 -0.53 0.00 0.00 54.58 52.18 3fkz n ASN 67 Cb 0.19 -0.10 0.00 0.00 -2.08 0.00 0.00 39.78 37.79 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 0.48 2.16 3.75 4.83 0.00 -0.37 -5.03 105.19 111.01 3fkz n GLY 68 Ca 0.01 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.48 1.95 -0.21 1.61 -0.21 -1.26 -4.69 119.66 116.36 3fkz s GLN 69 Ca 0.00 1.16 0.13 0.00 0.02 0.00 0.00 55.36 56.67 3fkz s GLN 69 Cb 0.00 -1.86 0.43 0.00 1.00 0.00 0.00 33.01 32.57 3fkz s GLN 69 CO 0.00 -1.86 1.29 0.25 -2.12 0.00 0.00 175.29 172.86 3fkz n THR 70 N -3.67 2.24 -1.37 -0.19 -2.24 -1.26 0.46 114.28 108.25 3fkz n THR 70 Ca 0.09 -2.73 -0.28 0.00 -2.27 0.00 0.00 64.05 58.86 3fkz n THR 70 Cb 0.53 -0.26 0.11 0.00 -2.10 0.00 0.00 70.33 68.61 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 -1.13 5.85 -4.66 3.42 6.94 -1.26 -4.73 115.26 119.70 3fkz n ASN 71 Ca 0.22 -3.73 -0.28 0.00 -0.02 0.00 0.00 54.58 50.77 3fkz n ASN 71 Cb 0.80 -0.85 -0.08 0.00 -2.36 0.00 0.00 39.78 37.28 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 -1.56 0.05 -0.12 0.00 1.51 -0.23 -1.20 117.35 115.80 3fkz s TYR 73 Ca 0.26 -0.01 -0.03 0.00 -1.01 0.00 0.00 57.07 56.28 3fkz s TYR 73 Cb -0.10 -0.03 -0.03 0.00 -0.11 0.00 0.00 41.96 41.68 3fkz s TYR 73 CO 0.18 -0.00 -0.01 -1.14 -1.11 0.00 0.00 175.55 173.46 3fkz s GLN 74 N -0.02 3.30 0.36 -0.62 0.74 0.22 -1.58 119.66 122.05 3fkz s GLN 74 Ca 0.00 -0.46 -0.28 0.00 0.05 0.00 0.00 55.36 54.67 3fkz s GLN 74 Cb -0.00 -2.86 -0.10 0.00 1.10 0.00 0.00 33.01 31.15 3fkz s GLN 74 CO -0.00 0.49 1.38 -1.54 -0.55 0.00 0.00 175.29 175.07 3fkz s SER 75 N -0.31 6.56 0.26 6.67 1.04 -0.19 -2.21 113.70 125.52 3fkz s SER 75 Ca 0.06 2.84 0.00 0.00 0.48 0.00 0.00 55.95 59.33 3fkz s SER 75 Cb -0.12 -2.66 0.36 0.00 0.10 0.00 0.00 66.02 63.70 3fkz s SER 75 CO 0.02 -0.70 1.71 1.88 0.98 0.00 0.00 173.24 177.14 3fkz h TYR 76 N 3.17 0.67 -2.06 5.02 0.05 -1.94 -3.43 116.97 118.44 3fkz h TYR 76 Ca -0.50 -0.13 -0.49 0.00 0.05 0.00 0.00 58.73 57.67 3fkz h TYR 76 Cb 1.23 -0.17 -0.03 0.00 1.01 0.00 0.00 36.73 38.77 3fkz h TYR 76 CO 0.55 0.75 -0.47 -1.12 -1.05 0.00 0.00 178.16 176.82 3fkz s SER 77 N -6.77 5.67 0.45 3.88 0.01 -1.26 -5.09 113.70 110.59 3fkz s SER 77 Ca -0.08 -0.24 -0.21 0.00 1.31 0.00 0.00 55.95 56.73 3fkz s SER 77 Cb 0.14 -1.36 -0.10 0.00 0.21 0.00 0.00 66.02 64.90 3fkz s SER 77 CO 0.80 -0.17 0.97 0.42 0.41 0.00 0.00 173.24 175.67 3fkz s THR 78 N -2.15 4.30 0.15 1.44 -4.23 -1.26 -4.51 115.64 109.38 3fkz s THR 78 Ca 0.36 1.40 0.09 0.00 -1.18 0.00 0.00 61.69 62.37 3fkz s THR 78 Cb -0.08 -3.58 -0.04 0.00 1.34 0.00 0.00 72.50 70.14 3fkz s THR 78 CO 0.27 -0.34 -0.20 -0.04 -0.54 0.00 0.00 174.62 173.78 3fkz s MET 79 N -3.26 1.27 -0.07 3.99 -1.94 0.50 -4.83 119.30 114.96 3fkz s MET 79 Ca 0.63 -1.36 -0.30 0.00 -1.71 0.00 0.00 55.69 52.95 3fkz s MET 79 Cb -0.10 -1.41 -0.03 0.00 2.01 0.00 0.00 34.83 35.30 3fkz s MET 79 CO 0.16 0.30 1.18 0.45 -0.01 0.00 0.00 175.02 177.10 3fkz s SER 80 N -2.48 7.07 0.15 3.03 0.15 -1.26 -1.78 113.70 118.58 3fkz s SER 80 Ca 0.14 1.77 -0.06 0.00 0.70 0.00 0.00 55.95 58.50 3fkz s SER 80 Cb -0.07 -2.56 -0.02 0.00 -1.71 0.00 0.00 66.02 61.66 3fkz s SER 80 CO 0.06 -0.58 0.21 -0.63 1.20 0.00 0.00 173.24 173.51 3fkz s ILE 81 N 2.28 0.08 -0.05 6.45 1.09 -0.53 -0.82 121.20 129.69 3fkz s ILE 81 Ca 0.55 -1.56 -0.01 0.00 -1.10 0.00 0.00 60.65 58.53 3fkz s ILE 81 Cb -0.24 -1.92 0.03 0.00 -1.06 0.00 0.00 42.46 39.28 3fkz s ILE 81 CO 0.21 -0.34 0.01 -0.89 -0.10 0.00 0.00 174.94 173.83 3fkz s THR 82 N -4.00 0.22 -0.08 2.92 2.01 0.08 -0.81 115.64 115.99 3fkz s THR 82 Ca 0.20 0.17 -0.18 0.00 0.31 0.00 0.00 61.69 62.18 3fkz s THR 82 Cb 0.05 -0.38 -0.05 0.00 0.01 0.00 0.00 72.50 72.13 3fkz s THR 82 CO 0.01 0.21 0.48 -1.81 -0.69 0.00 0.00 174.62 172.82 3fkz s ASP 83 N 1.70 6.75 -0.20 3.53 -0.00 0.12 -0.67 116.67 127.89 3fkz s ASP 83 Ca 0.00 0.89 -0.02 0.00 -0.00 0.00 0.00 52.55 53.42 3fkz s ASP 83 Cb -0.13 -2.29 -0.00 0.00 -0.00 0.00 0.00 42.92 40.50 3fkz s ASP 83 CO -0.03 0.06 -0.10 0.00 -0.00 0.00 0.00 175.17 175.10 3fkz s ARG 85 N 1.28 1.22 0.39 0.00 1.81 -0.87 -1.05 118.95 121.74 3fkz s ARG 85 Ca 0.03 -0.55 -0.27 0.00 -1.72 0.00 0.00 55.73 53.22 3fkz s ARG 85 Cb -0.14 -1.18 -0.09 0.00 -0.45 0.00 0.00 34.95 33.09 3fkz s ARG 85 CO -0.05 0.32 1.34 -1.21 -0.68 0.00 0.00 175.30 175.03 3fkz s GLU 86 N -0.39 4.02 0.66 3.54 2.02 -0.95 0.19 118.70 127.79 3fkz s GLU 86 Ca 0.06 2.26 0.02 0.00 0.02 0.00 0.00 54.97 57.33 3fkz s GLU 86 Cb -0.06 -2.83 0.11 0.00 0.10 0.00 0.00 34.13 31.44 3fkz s GLU 86 CO -0.00 -0.48 0.91 0.95 0.02 0.00 0.00 175.26 176.65 3fkz s THR 87 N -1.21 2.22 0.47 3.63 -4.23 0.20 -4.73 115.64 111.99 3fkz s THR 87 Ca 0.55 -0.71 0.15 0.00 -1.18 0.00 0.00 61.69 60.50 3fkz s THR 87 Cb -0.40 -2.51 0.31 0.00 1.34 0.00 0.00 72.50 71.23 3fkz s THR 87 CO 0.53 0.00 2.05 1.23 -0.54 0.00 0.00 174.62 177.89 3fkz h GLY 88 N -0.27 0.31 0.24 3.99 0.00 -1.95 -1.65 103.07 103.74 3fkz h GLY 88 Ca -0.35 -0.10 0.00 0.00 0.00 0.00 0.00 47.33 46.87 3fkz h GLY 88 CO 0.42 0.08 0.00 -1.14 0.00 0.00 0.00 176.54 175.90 3fkz n SER 89 N -4.48 0.77 -4.69 0.19 3.41 -1.26 -4.89 113.62 102.68 3fkz n SER 89 Ca 0.04 -1.27 -0.42 0.00 -0.26 0.00 0.00 58.87 56.96 3fkz n SER 89 Cb 0.24 -0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.16 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 -1.99 6.88 -0.30 4.04 0.15 -0.62 -4.77 113.70 117.08 3fkz s SER 90 Ca 0.43 2.06 -0.05 0.00 0.70 0.00 0.00 55.95 59.08 3fkz s SER 90 Cb 0.21 -2.56 0.16 0.00 -1.71 0.00 0.00 66.02 62.13 3fkz s SER 90 CO 0.35 -0.71 0.62 -0.75 1.20 0.00 0.00 173.24 173.95 3fkz s LYS 91 N 2.46 0.57 0.34 5.44 2.20 -0.13 -4.89 119.74 125.73 3fkz s LYS 91 Ca 0.63 1.22 -0.28 0.00 -0.36 0.00 0.00 55.97 57.17 3fkz s LYS 91 Cb -0.30 0.71 -0.12 0.00 -1.51 0.00 0.00 37.83 36.60 3fkz s LYS 91 CO 0.25 -0.43 1.34 0.98 -0.36 0.00 0.00 175.35 177.14 3fkz n TYR 92 N 5.44 2.41 0.76 4.03 9.36 -1.26 0.82 117.16 138.72 3fkz n TYR 92 Ca -0.06 0.52 0.01 0.00 3.32 0.00 0.00 57.90 61.69 3fkz n TYR 92 Cb 0.50 -2.44 0.07 0.00 -0.63 0.00 0.00 39.34 36.84 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 0.67 1.66 -3.73 2.98 -0.04 -1.26 -4.99 135.00 130.29 3fkz n PRO 93 Ca 0.05 -0.56 -0.34 0.00 -0.04 0.00 0.00 63.50 62.60 3fkz n PRO 93 Cb 0.36 -1.58 -0.09 0.00 -0.04 0.00 0.00 33.50 32.16 3fkz n PRO 93 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 3fkz s ASN 94 N -0.24 5.45 0.51 3.54 -0.87 0.24 -5.08 114.94 118.48 3fkz s ASN 94 Ca 0.10 -3.45 -0.18 0.00 -1.57 0.00 0.00 52.86 47.76 3fkz s ASN 94 Cb 0.07 -1.83 -0.08 0.00 -0.02 0.00 0.00 41.25 39.40 3fkz s ASN 94 CO 0.03 -0.22 1.00 0.00 -2.57 0.00 0.00 177.10 175.34 3fkz s ALA 96 N -2.40 -1.08 0.08 0.00 0.00 -1.26 -4.85 121.76 112.25 3fkz s ALA 96 Ca 0.62 1.25 0.03 0.00 0.00 0.00 0.00 51.96 53.86 3fkz s ALA 96 Cb -0.12 -0.73 -0.03 0.00 0.00 0.00 0.00 23.12 22.24 3fkz s ALA 96 CO 0.27 -0.21 -0.09 0.71 0.00 0.00 0.00 175.76 176.43 3fkz s TYR 97 N 0.30 0.95 -0.13 0.00 2.02 -1.26 -0.62 117.35 118.61 3fkz s TYR 97 Ca -0.01 -0.65 -0.07 0.00 -0.37 0.00 0.00 57.07 55.98 3fkz s TYR 97 Cb -0.03 -0.53 -0.04 0.00 -0.40 0.00 0.00 41.96 40.95 3fkz s TYR 97 CO -0.00 -0.04 0.11 0.21 -1.57 0.00 0.00 175.55 174.26 3fkz s LYS 98 N -2.61 3.49 -0.24 -0.62 2.20 0.13 -4.62 119.74 117.47 3fkz s LYS 98 Ca 0.02 -0.19 -0.09 0.00 -0.36 0.00 0.00 55.97 55.35 3fkz s LYS 98 Cb -0.04 -3.16 -0.04 0.00 -1.51 0.00 0.00 37.83 33.08 3fkz s LYS 98 CO -0.01 0.69 0.12 0.99 -0.36 0.00 0.00 175.35 176.78 3fkz s THR 99 N -0.78 4.89 -0.13 3.43 2.01 -1.26 -2.04 115.64 121.76 3fkz s THR 99 Ca 0.13 0.02 -0.00 0.00 0.31 0.00 0.00 61.69 62.15 3fkz s THR 99 Cb -0.12 -3.28 0.02 0.00 0.01 0.00 0.00 72.50 69.14 3fkz s THR 99 CO 0.03 0.35 -0.11 0.42 -0.69 0.00 0.00 174.62 174.62 3fkz s THR 100 N 1.21 1.26 0.59 -0.82 -4.23 -0.05 -4.08 115.64 109.53 3fkz s THR 100 Ca 0.06 -0.44 -0.14 0.00 -1.18 0.00 0.00 61.69 59.99 3fkz s THR 100 Cb -0.14 -1.23 -0.04 0.00 1.34 0.00 0.00 72.50 72.42 3fkz s THR 100 CO 0.05 0.41 1.03 -1.10 -0.54 0.00 0.00 174.62 174.46 3fkz s GLN 101 N 1.60 3.53 0.13 3.99 -0.21 -1.26 0.13 119.66 127.57 3fkz s GLN 101 Ca 0.05 0.97 -0.26 0.00 0.02 0.00 0.00 55.36 56.15 3fkz s GLN 101 Cb -0.13 -2.07 0.07 0.00 1.00 0.00 0.00 33.01 31.88 3fkz s GLN 101 CO -0.09 -0.62 0.98 0.00 -2.12 0.00 0.00 175.29 173.43 3fkz s ALA 102 N -2.78 -1.71 -0.30 6.09 0.00 0.01 -4.87 121.76 118.21 3fkz s ALA 102 Ca 0.59 0.22 -0.03 0.00 0.00 0.00 0.00 51.96 52.73 3fkz s ALA 102 Cb -0.12 0.61 0.11 0.00 0.00 0.00 0.00 23.12 23.71 3fkz s ALA 102 CO 0.42 -1.02 0.14 -0.80 0.00 0.00 0.00 175.76 174.50 3fkz s ASN 103 N -2.92 3.41 0.25 0.00 -0.87 -1.26 -1.45 114.94 112.11 3fkz s ASN 103 Ca 0.12 -1.35 0.01 0.00 -1.57 0.00 0.00 52.86 50.08 3fkz s ASN 103 Cb -0.01 -0.32 -0.04 0.00 -0.02 0.00 0.00 41.25 40.86 3fkz s ASN 103 CO 0.01 -0.43 0.14 -0.54 -2.57 0.00 0.00 177.10 173.72 3fkz s LYS 104 N 2.02 1.41 0.18 -0.60 1.02 -0.74 -4.71 119.74 118.32 3fkz s LYS 104 Ca 0.10 -1.77 -0.25 0.00 0.02 0.00 0.00 55.97 54.06 3fkz s LYS 104 Cb -0.17 0.03 -0.08 0.00 -0.52 0.00 0.00 37.83 37.09 3fkz s LYS 104 CO -0.33 -0.40 0.79 -1.01 -0.92 0.00 0.00 175.35 173.48 3fkz s HIS 105 N -3.85 3.90 0.12 3.18 3.76 0.39 0.19 115.29 122.98 3fkz s HIS 105 Ca 0.38 1.65 0.03 0.00 -0.15 0.00 0.00 55.06 56.97 3fkz s HIS 105 Cb 0.06 -2.78 -0.04 0.00 1.11 0.00 0.00 32.58 30.93 3fkz s HIS 105 CO 0.15 0.49 0.16 0.42 -0.85 0.00 0.00 174.74 175.12 3fkz s ILE 106 N -1.19 4.82 -0.11 0.60 1.01 -1.26 -0.71 121.20 124.36 3fkz s ILE 106 Ca 0.37 -0.80 0.01 0.00 0.00 0.00 0.00 60.65 60.23 3fkz s ILE 106 Cb -0.23 -3.41 0.02 0.00 0.01 0.00 0.00 42.46 38.85 3fkz s ILE 106 CO 0.26 -0.00 -0.13 -0.63 0.00 0.00 0.00 174.94 174.44 3fkz s ILE 107 N -1.61 1.37 0.12 2.92 1.01 0.02 -1.02 121.20 124.01 3fkz s ILE 107 Ca 0.32 -0.54 0.07 0.00 0.00 0.00 0.00 60.65 60.49 3fkz s ILE 107 Cb -0.11 -1.28 -0.04 0.00 0.01 0.00 0.00 42.46 41.04 3fkz s ILE 107 CO 0.25 0.42 -0.16 0.68 0.00 0.00 0.00 174.94 176.13 3fkz s VAL 108 N 1.20 1.46 0.00 2.92 -7.23 -0.62 -0.52 120.40 117.63 3fkz s VAL 108 Ca -0.03 -1.70 -0.13 0.00 -1.81 0.00 0.00 61.98 58.32 3fkz s VAL 108 Cb -0.14 -1.56 -0.05 0.00 0.56 0.00 0.00 36.38 35.19 3fkz s VAL 108 CO -0.04 -0.33 0.37 0.00 -0.31 0.00 0.00 175.10 174.79 3fkz s ALA 109 N -1.90 3.73 0.05 1.32 0.00 0.23 -1.07 121.76 124.11 3fkz s ALA 109 Ca 0.09 -0.31 0.04 0.00 0.00 0.00 0.00 51.96 51.78 3fkz s ALA 109 Cb -0.06 -2.31 -0.02 0.00 0.00 0.00 0.00 23.12 20.73 3fkz s ALA 109 CO 0.04 0.52 -0.12 0.00 0.00 0.00 0.00 175.76 176.20 3fkz s GLU 111 N -1.32 1.54 0.04 0.00 -1.05 -0.69 -4.89 118.70 112.32 3fkz s GLU 111 Ca -0.02 -0.86 0.00 0.00 -0.15 0.00 0.00 54.97 53.94 3fkz s GLU 111 Cb -0.08 0.52 0.00 0.00 -0.44 0.00 0.00 34.13 34.13 3fkz s GLU 111 CO 0.01 -0.71 0.00 0.41 0.95 0.00 0.00 175.26 175.93 3fkz n GLY 112 N -0.47 -3.12 2.75 -3.83 0.00 -1.26 -3.10 105.19 96.15 3fkz n GLY 112 Ca -0.05 -1.79 -0.27 0.00 0.00 0.00 0.00 46.02 43.91 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 -1.32 2.82 0.88 1.61 2.47 -1.26 -2.72 114.94 117.42 3fkz s ASN 113 Ca 0.00 -0.77 -0.12 0.00 0.42 0.00 0.00 52.86 52.39 3fkz s ASN 113 Cb 0.00 -0.60 0.10 0.00 -1.45 0.00 0.00 41.25 39.30 3fkz s ASN 113 CO 0.00 -0.29 1.02 -0.81 -3.72 0.00 0.00 177.10 173.29 3fkz n PRO 114 N 5.05 -0.19 -2.95 0.43 -0.04 -1.26 -5.08 135.00 130.96 3fkz n PRO 114 Ca -0.09 0.01 -0.43 0.00 -0.04 0.00 0.00 63.50 62.95 3fkz n PRO 114 Cb 0.47 -2.29 -0.05 0.00 -0.04 0.00 0.00 33.50 31.60 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 -2.39 2.88 0.20 0.54 5.04 -1.10 -4.87 117.35 117.64 3fkz s TYR 115 Ca 0.67 -0.18 0.01 0.00 -2.44 0.00 0.00 57.07 55.12 3fkz s TYR 115 Cb -0.25 -3.89 -0.05 0.00 0.35 0.00 0.00 41.96 38.13 3fkz s TYR 115 CO 0.57 -1.24 0.07 0.14 -1.34 0.00 0.00 175.55 173.75 3fkz s VAL 116 N 3.50 0.40 0.46 3.14 -7.23 -1.18 -4.88 120.40 114.61 3fkz s VAL 116 Ca 0.25 -1.98 -0.24 0.00 -1.81 0.00 0.00 61.98 58.20 3fkz s VAL 116 Cb -0.15 -2.37 -0.07 0.00 0.56 0.00 0.00 36.38 34.35 3fkz s VAL 116 CO 0.17 -0.21 1.26 -2.84 -0.31 0.00 0.00 175.10 173.17 3fkz s PRO 117 N -4.03 3.70 0.00 4.82 0.02 -1.26 -1.71 135.00 136.54 3fkz s PRO 117 Ca 0.32 2.03 0.00 0.00 0.02 0.00 0.00 61.00 63.37 3fkz s PRO 117 Cb 0.07 -2.51 0.00 0.00 0.02 0.00 0.00 34.50 32.08 3fkz s PRO 117 CO 0.09 -0.67 0.04 1.33 -0.33 0.00 0.00 177.00 177.46 3fkz n VAL 118 N -0.36 0.00 -3.72 3.83 0.24 0.15 -4.88 118.33 113.59 3fkz n VAL 118 Ca 0.07 -0.13 -0.12 0.00 -2.04 0.00 0.00 64.34 62.11 3fkz n VAL 118 Cb 0.46 1.24 -0.10 0.00 -1.47 0.00 0.00 33.84 33.96 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 -0.18 -0.49 -0.39 6.34 5.65 -1.11 -4.97 115.29 120.14 3fkz s HIS 119 Ca 0.00 1.15 -0.17 0.00 0.25 0.00 0.00 55.06 56.29 3fkz s HIS 119 Cb 0.00 0.18 0.01 0.00 -1.18 0.00 0.00 32.58 31.59 3fkz s HIS 119 CO 0.00 -0.25 0.43 0.12 -0.65 0.00 0.00 174.74 174.39 3fkz s PHE 120 N 0.56 3.18 -0.12 3.88 2.19 -1.26 0.75 117.98 127.16 3fkz s PHE 120 Ca -0.03 -0.20 -0.02 0.00 0.33 0.00 0.00 56.93 57.01 3fkz s PHE 120 Cb -0.04 -2.84 -0.25 0.00 -1.31 0.00 0.00 43.02 38.57 3fkz s PHE 120 CO -0.03 -0.61 0.36 -3.47 1.83 0.00 0.00 175.22 173.30 3fkz n ASP 121 N 5.57 1.87 -3.68 6.13 2.03 0.32 -4.95 116.55 123.85 3fkz n ASP 121 Ca -0.07 0.21 0.03 0.00 0.52 0.00 0.00 54.79 55.47 3fkz n ASP 121 Cb 0.48 -0.66 0.00 0.00 -0.72 0.00 0.00 41.12 40.22 3fkz n ASP 121 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3fkz s ALA 122 N -2.56 -2.42 0.09 -1.67 0.00 -0.93 -4.93 121.76 109.34 3fkz s ALA 122 Ca -0.20 0.57 0.07 0.00 0.00 0.00 0.00 51.96 52.40 3fkz s ALA 122 Cb 0.07 0.50 -0.03 0.00 0.00 0.00 0.00 23.12 23.65 3fkz s ALA 122 CO 0.77 -1.09 -0.19 -1.54 0.00 0.00 0.00 175.76 173.71 3fkz s SER 123 N -3.26 2.29 0.00 0.00 1.04 -1.26 -0.80 113.70 111.70 3fkz s SER 123 Ca 0.19 -0.65 0.00 0.00 0.48 0.00 0.00 55.95 55.98 3fkz s SER 123 Cb 0.04 -0.12 0.00 0.00 0.10 0.00 0.00 66.02 66.04 3fkz s SER 123 CO -0.04 0.03 0.03 0.52 0.98 0.00 0.00 173.24 174.76