#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1kf8 n GLU 2 N 0.00 2.59 -1.64 1.97 2.13 -1.26 -4.98 120.64 119.46 1kf8 n GLU 2 Ca 0.00 0.93 -0.31 0.00 0.66 0.00 0.00 57.16 58.44 1kf8 n GLU 2 Cb 0.00 -2.71 0.05 0.00 0.27 0.00 0.00 31.44 29.05 1kf8 n GLU 2 CO 0.00 0.00 0.00 0.95 -0.41 0.00 0.00 177.13 177.67 1kf8 s THR 3 N 0.35 3.90 0.28 6.31 -4.23 -1.26 -4.87 115.64 116.12 1kf8 s THR 3 Ca 0.68 0.62 -0.03 0.00 -1.18 0.00 0.00 61.69 61.78 1kf8 s THR 3 Cb -0.53 -3.41 0.23 0.00 1.34 0.00 0.00 72.50 70.12 1kf8 s THR 3 CO 0.44 -0.80 1.92 0.00 -0.54 0.00 0.00 174.62 175.63 1kf8 h ALA 4 N -0.73 1.32 -0.66 3.99 0.00 -1.94 -0.56 119.26 120.68 1kf8 h ALA 4 Ca -0.45 -0.10 -0.06 0.00 0.00 0.00 0.00 54.91 54.30 1kf8 h ALA 4 Cb 1.22 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 18.67 1kf8 h ALA 4 CO 0.59 0.57 0.18 0.00 0.00 0.00 0.00 179.25 180.59 1kf8 h ALA 5 N 1.41 0.87 -0.28 0.00 0.00 -1.89 -0.96 119.26 118.42 1kf8 h ALA 5 Ca 0.28 -0.23 -0.14 0.00 0.00 0.00 0.00 54.91 54.82 1kf8 h ALA 5 Cb -0.01 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 1kf8 h ALA 5 CO -0.05 0.57 -0.42 0.00 0.00 0.00 0.00 179.25 179.35 1kf8 h ALA 6 N 1.07 0.75 -0.75 0.00 0.00 -1.77 -2.56 119.26 116.00 1kf8 h ALA 6 Ca 0.21 -0.45 -0.05 0.00 0.00 0.00 0.00 54.91 54.62 1kf8 h ALA 6 Cb 0.33 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 1kf8 h ALA 6 CO -0.00 0.66 0.28 -0.22 0.00 0.00 0.00 179.25 179.97 1kf8 h LYS 7 N 0.55 1.14 -0.59 0.00 3.64 -0.88 -1.20 116.57 119.23 1kf8 h LYS 7 Ca 0.04 -0.22 0.04 0.00 -1.27 0.00 0.00 60.65 59.24 1kf8 h LYS 7 Cb 0.95 -0.18 -0.05 0.00 -0.41 0.00 0.00 32.23 32.55 1kf8 h LYS 7 CO 0.09 0.95 0.33 0.35 -2.27 0.00 0.00 179.45 178.89 1kf8 h PHE 8 N 1.10 0.61 -0.32 1.91 3.04 -0.94 0.76 116.94 123.10 1kf8 h PHE 8 Ca 0.25 0.02 -0.00 0.00 3.98 0.00 0.00 57.97 62.22 1kf8 h PHE 8 Cb 0.25 -0.19 -0.02 0.00 2.56 0.00 0.00 35.95 38.56 1kf8 h PHE 8 CO 0.02 0.31 0.18 1.49 -2.02 0.00 0.00 178.31 178.29 1kf8 h GLU 9 N 0.63 0.44 -0.65 1.11 4.81 -1.03 -0.39 114.58 119.50 1kf8 h GLU 9 Ca 0.26 -0.05 -0.04 0.00 -0.13 0.00 0.00 59.36 59.39 1kf8 h GLU 9 Cb 0.12 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 29.38 1kf8 h GLU 9 CO -0.15 0.36 0.23 -0.09 -0.73 0.00 0.00 179.01 178.63 1kf8 h ARG 10 N 0.40 0.99 0.00 1.92 2.43 -0.84 -2.00 114.38 117.28 1kf8 h ARG 10 Ca 0.11 -0.20 -0.20 0.00 -0.81 0.00 0.00 59.98 58.89 1kf8 h ARG 10 Cb 0.05 -0.15 -0.03 0.00 -0.42 0.00 0.00 29.97 29.42 1kf8 h ARG 10 CO -0.02 0.85 -0.95 0.37 -1.51 0.00 0.00 179.97 178.71 1kf8 h GLN 11 N 0.92 0.02 0.00 0.20 4.15 -0.73 -3.42 115.11 116.25 1kf8 h GLN 11 Ca 0.21 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.61 1kf8 h GLN 11 Cb 0.25 0.01 0.00 0.00 0.21 0.00 0.00 27.48 27.95 1kf8 h GLN 11 CO -0.01 0.95 -0.73 0.72 -1.93 0.00 0.00 178.83 177.83 1kf8 n HIS 12 N -3.43 0.00 -3.60 3.99 8.25 -0.17 -4.74 115.22 115.53 1kf8 n HIS 12 Ca -0.01 0.00 -0.37 0.00 -0.26 0.00 0.00 57.72 57.09 1kf8 n HIS 12 Cb 0.89 0.00 -0.07 0.00 1.12 0.00 0.00 29.99 31.94 1kf8 n HIS 12 CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 1kf8 s MET 13 N -1.50 4.05 -0.40 -0.41 -1.94 -0.75 0.07 119.30 118.42 1kf8 s MET 13 Ca 0.00 0.10 0.03 0.00 -1.71 0.00 0.00 55.69 54.12 1kf8 s MET 13 Cb 0.00 -3.35 0.16 0.00 2.01 0.00 0.00 34.83 33.66 1kf8 s MET 13 CO 0.00 0.42 0.35 0.34 -0.01 0.00 0.00 175.02 176.12 1kf8 s ASP 14 N -0.07 1.42 0.00 3.03 2.15 -0.20 -4.86 116.67 118.14 1kf8 s ASP 14 Ca 0.17 -2.61 0.28 0.00 0.43 0.00 0.00 52.55 50.82 1kf8 s ASP 14 Cb -0.13 -0.10 1.52 0.00 -0.30 0.00 0.00 42.92 43.91 1kf8 s ASP 14 CO 0.05 -0.20 1.98 -1.54 -0.17 0.00 0.00 175.17 175.29 1kf8 n SER 15 N 3.25 0.00 -0.00 -0.34 3.41 -1.26 -3.59 113.62 115.09 1kf8 n SER 15 Ca 0.23 -0.49 0.13 0.00 -0.26 0.00 0.00 58.87 58.48 1kf8 n SER 15 Cb 0.46 -0.14 0.37 0.00 -0.26 0.00 0.00 64.21 64.64 1kf8 n SER 15 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1kf8 n SER 16 N -1.14 0.34 -4.08 4.04 7.64 -1.26 -4.83 113.62 114.32 1kf8 n SER 16 Ca 0.17 -0.01 -0.11 0.00 1.01 0.00 0.00 58.87 59.93 1kf8 n SER 16 Cb 0.16 0.00 -0.11 0.00 -1.01 0.00 0.00 64.21 63.25 1kf8 n SER 16 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 1kf8 s THR 17 N -3.00 0.45 -0.26 0.44 -1.32 -1.24 -5.06 115.64 105.66 1kf8 s THR 17 Ca 0.12 -1.41 0.22 0.00 -1.21 0.00 0.00 61.69 59.41 1kf8 s THR 17 Cb 0.18 -1.00 0.04 0.00 -1.51 0.00 0.00 72.50 70.21 1kf8 s THR 17 CO 0.64 -0.65 1.12 -1.28 -2.21 0.00 0.00 174.62 172.24 1kf8 h SER 18 N 3.87 0.00 -4.76 8.08 0.87 -1.88 -3.44 113.55 116.30 1kf8 h SER 18 Ca -0.35 0.00 0.18 0.00 -1.23 0.00 0.00 61.79 60.40 1kf8 h SER 18 Cb 1.18 0.00 -0.15 0.00 -0.44 0.00 0.00 62.40 63.00 1kf8 h SER 18 CO 0.52 0.04 0.61 0.00 -0.53 0.00 0.00 176.83 177.47 1kf8 s ALA 19 N -3.31 -1.91 0.28 6.23 0.00 -1.26 -4.84 121.76 116.95 1kf8 s ALA 19 Ca 0.00 1.00 -0.30 0.00 0.00 0.00 0.00 51.96 52.67 1kf8 s ALA 19 Cb 0.09 0.30 -0.10 0.00 0.00 0.00 0.00 23.12 23.41 1kf8 s ALA 19 CO 0.77 -0.76 1.40 0.00 0.00 0.00 0.00 175.76 177.18 1kf8 s ALA 20 N -2.88 3.58 -1.36 0.00 0.00 -1.26 -4.93 121.76 114.91 1kf8 s ALA 20 Ca 0.08 1.32 0.17 0.00 0.00 0.00 0.00 51.96 53.53 1kf8 s ALA 20 Cb -0.00 -3.54 -0.04 0.00 0.00 0.00 0.00 23.12 19.54 1kf8 s ALA 20 CO -0.06 -0.73 0.83 -1.13 0.00 0.00 0.00 175.76 174.68 1kf8 n SER 21 N 1.79 1.46 -3.77 0.00 3.41 -1.26 -5.00 113.62 110.26 1kf8 n SER 21 Ca 0.04 -1.23 -0.08 0.00 -0.26 0.00 0.00 58.87 57.34 1kf8 n SER 21 Cb 0.41 0.59 -0.02 0.00 -0.26 0.00 0.00 64.21 64.92 1kf8 n SER 21 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1kf8 s SER 22 N -2.09 -0.31 0.62 4.04 1.04 -1.26 -5.01 113.70 110.72 1kf8 s SER 22 Ca 0.12 -0.49 0.41 0.00 0.48 0.00 0.00 55.95 56.46 1kf8 s SER 22 Cb 0.13 0.68 2.21 0.00 0.10 0.00 0.00 66.02 69.14 1kf8 s SER 22 CO 0.48 -1.23 2.24 0.77 0.98 0.00 0.00 173.24 176.48 1kf8 h SER 23 N 2.04 0.00 0.04 7.02 4.64 -1.94 -2.43 113.55 122.92 1kf8 h SER 23 Ca -0.23 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.09 1kf8 h SER 23 Cb 1.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.35 1kf8 h SER 23 CO 0.28 0.00 -0.09 -3.20 -0.87 0.00 0.00 176.83 172.95 1kf8 n ASN 24 N -2.94 1.68 -0.01 4.97 5.15 -1.26 -4.43 115.26 118.43 1kf8 n ASN 24 Ca -0.03 -1.45 -0.10 0.00 -0.60 0.00 0.00 54.58 52.40 1kf8 n ASN 24 Cb 0.08 0.06 -0.04 0.00 -0.53 0.00 0.00 39.78 39.36 1kf8 n ASN 24 CO 0.00 0.00 0.00 0.22 1.40 0.00 0.00 177.26 178.88 1kf8 h TYR 25 N 2.50 -0.81 -0.55 1.20 3.20 -1.83 -1.33 116.97 119.35 1kf8 h TYR 25 Ca 0.00 0.04 -0.03 0.00 3.14 0.00 0.00 58.73 61.88 1kf8 h TYR 25 Cb 0.60 0.38 -0.02 0.00 1.54 0.00 0.00 36.73 39.23 1kf8 h TYR 25 CO 0.00 -0.37 0.24 0.00 -1.64 0.00 0.00 178.16 176.38 1kf8 h ASN 27 N 0.74 0.41 -0.20 0.00 2.35 -1.71 0.11 115.58 117.28 1kf8 h ASN 27 Ca 0.19 0.05 -0.14 0.00 -0.55 0.00 0.00 56.30 55.85 1kf8 h ASN 27 Cb 0.17 -0.02 0.00 0.00 0.05 0.00 0.00 38.32 38.52 1kf8 h ASN 27 CO -0.02 0.25 -0.41 -0.61 -1.65 0.00 0.00 177.43 174.99 1kf8 h GLN 28 N 0.56 0.64 -0.14 0.81 5.75 -0.90 -3.06 115.11 118.76 1kf8 h GLN 28 Ca 0.31 -0.42 -0.21 0.00 -0.15 0.00 0.00 58.65 58.18 1kf8 h GLN 28 Cb 0.29 0.05 0.01 0.00 1.07 0.00 0.00 27.48 28.90 1kf8 h GLN 28 CO -0.24 1.03 -0.76 0.52 -2.65 0.00 0.00 178.83 176.73 1kf8 h MET 29 N 0.33 0.71 -0.82 1.69 2.86 -0.86 -0.37 114.93 118.46 1kf8 h MET 29 Ca 0.01 -0.58 -0.02 0.00 -2.06 0.00 0.00 59.70 57.05 1kf8 h MET 29 Cb 1.02 0.12 -0.04 0.00 0.06 0.00 0.00 31.60 32.75 1kf8 h MET 29 CO 0.09 1.19 0.45 0.52 1.06 0.00 0.00 176.91 180.22 1kf8 h MET 30 N 0.49 1.15 -0.05 1.72 2.86 -1.07 -1.27 114.93 118.76 1kf8 h MET 30 Ca -0.05 -0.13 -0.03 0.00 -2.06 0.00 0.00 59.70 57.44 1kf8 h MET 30 Cb 1.38 -0.23 -0.00 0.00 0.06 0.00 0.00 31.60 32.81 1kf8 h MET 30 CO 0.15 0.84 -0.08 -0.22 1.06 0.00 0.00 176.91 178.67 1kf8 h LYS 31 N 1.15 0.13 0.00 1.72 3.64 -1.43 -1.59 116.57 120.19 1kf8 h LYS 31 Ca 0.29 -0.08 -0.07 0.00 -1.27 0.00 0.00 60.65 59.52 1kf8 h LYS 31 Cb 0.03 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 31.85 1kf8 h LYS 31 CO -0.05 0.64 -0.31 1.03 -2.27 0.00 0.00 179.45 178.49 1kf8 h SER 32 N -0.36 0.00 -0.27 4.20 0.87 -0.87 -1.41 113.55 115.71 1kf8 h SER 32 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1kf8 h SER 32 Cb 0.63 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.59 1kf8 h SER 32 CO 0.02 0.31 0.00 0.54 -0.53 0.00 0.00 176.83 177.17 1kf8 n ARG 33 N -4.12 1.70 -2.38 2.24 5.12 -0.50 -4.91 116.66 113.81 1kf8 n ARG 33 Ca -0.02 -1.08 -0.15 0.00 -1.93 0.00 0.00 57.85 54.67 1kf8 n ARG 33 Cb 0.36 -1.28 -0.00 0.00 -1.16 0.00 0.00 32.46 30.38 1kf8 n ARG 33 CO 0.00 0.00 0.00 -1.71 -1.93 0.00 0.00 177.63 173.99 1kf8 n ASN 34 N 0.36 -4.56 -0.09 0.55 5.15 -0.53 -4.88 115.26 111.26 1kf8 n ASN 34 Ca 0.12 -0.05 0.13 0.00 -0.60 0.00 0.00 54.58 54.18 1kf8 n ASN 34 Cb 0.27 -3.65 0.40 0.00 -0.53 0.00 0.00 39.78 36.28 1kf8 n ASN 34 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 1kf8 n LEU 35 N -2.29 0.57 -0.32 1.20 4.77 -0.60 -3.77 117.00 116.56 1kf8 n LEU 35 Ca -0.16 -0.01 0.06 0.00 -0.03 0.00 0.00 56.01 55.88 1kf8 n LEU 35 Cb 0.62 -0.23 0.13 0.00 -2.33 0.00 0.00 43.42 41.61 1kf8 n LEU 35 CO 0.23 0.12 0.59 0.35 -1.33 0.00 0.00 177.39 177.35 1kf8 n THR 36 N -1.16 1.60 -0.11 -5.08 -2.24 -1.22 -4.10 114.28 101.98 1kf8 n THR 36 Ca 0.09 -1.65 -0.10 0.00 -2.27 0.00 0.00 64.05 60.12 1kf8 n THR 36 Cb 0.33 0.07 -0.03 0.00 -2.10 0.00 0.00 70.33 68.60 1kf8 n THR 36 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 1kf8 h LYS 37 N 0.71 0.53 0.00 -0.78 3.64 -1.90 -3.33 116.57 115.45 1kf8 h LYS 37 Ca 0.00 -0.15 -0.15 0.00 -1.27 0.00 0.00 60.65 59.08 1kf8 h LYS 37 Cb 0.92 -0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 32.66 1kf8 h LYS 37 CO 0.05 0.63 -2.12 -0.25 -2.27 0.00 0.00 179.45 175.49 1kf8 n ASP 38 N -4.60 0.21 -3.55 4.20 8.00 -1.26 -5.02 116.55 114.52 1kf8 n ASP 38 Ca -0.02 0.00 -0.07 0.00 0.71 0.00 0.00 54.79 55.40 1kf8 n ASP 38 Cb 0.22 1.54 -0.02 0.00 -0.02 0.00 0.00 41.12 42.85 1kf8 n ASP 38 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1kf8 s ARG 39 N -3.04 0.91 -0.26 -1.24 1.70 -1.25 -5.12 118.95 110.65 1kf8 s ARG 39 Ca -0.08 -0.38 -0.29 0.00 -0.47 0.00 0.00 55.73 54.51 1kf8 s ARG 39 Cb 0.10 0.39 0.01 0.00 -0.57 0.00 0.00 34.95 34.88 1kf8 s ARG 39 CO 0.84 -0.40 1.10 0.00 -1.08 0.00 0.00 175.30 175.75 1kf8 s LYS 41 N 3.46 4.38 0.22 0.00 1.02 -1.26 -4.92 119.74 122.64 1kf8 s LYS 41 Ca 0.47 2.09 0.08 0.00 0.02 0.00 0.00 55.97 58.63 1kf8 s LYS 41 Cb -0.15 -3.17 0.17 0.00 -0.52 0.00 0.00 37.83 34.15 1kf8 s LYS 41 CO 0.11 -0.25 1.50 -1.00 -0.92 0.00 0.00 175.35 174.79 1kf8 h PRO 42 N 5.10 0.06 -3.49 -1.68 0.13 -1.95 -3.44 132.00 126.74 1kf8 h PRO 42 Ca -0.45 -0.06 -0.13 0.00 -0.87 0.00 0.00 66.00 64.49 1kf8 h PRO 42 Cb 1.22 0.01 -0.19 0.00 0.13 0.00 0.00 31.00 32.17 1kf8 h PRO 42 CO 0.76 0.77 -0.44 0.54 -0.23 0.00 0.00 178.00 179.40 1kf8 s VAL 43 N -3.38 0.09 0.16 1.56 0.11 -1.26 -1.23 120.40 116.45 1kf8 s VAL 43 Ca -0.01 -0.76 -0.21 0.00 -2.93 0.00 0.00 61.98 58.07 1kf8 s VAL 43 Cb 0.12 -0.63 0.06 0.00 -1.53 0.00 0.00 36.38 34.39 1kf8 s VAL 43 CO 0.79 -0.42 0.56 0.21 -3.33 0.00 0.00 175.10 172.91 1kf8 s ASN 44 N -1.64 -0.46 -0.04 3.54 2.47 -0.45 -5.01 114.94 113.36 1kf8 s ASN 44 Ca -0.11 -0.14 0.03 0.00 0.42 0.00 0.00 52.86 53.06 1kf8 s ASN 44 Cb -0.05 0.58 0.00 0.00 -1.45 0.00 0.00 41.25 40.33 1kf8 s ASN 44 CO -0.00 -0.97 -0.12 -0.89 -3.72 0.00 0.00 177.10 171.39 1kf8 s THR 45 N -3.78 1.06 -0.01 -5.21 2.01 -1.26 -0.57 115.64 107.87 1kf8 s THR 45 Ca 0.03 -0.49 0.02 0.00 0.31 0.00 0.00 61.69 61.56 1kf8 s THR 45 Cb -0.01 -0.94 -0.03 0.00 0.01 0.00 0.00 72.50 71.53 1kf8 s THR 45 CO -0.11 0.32 -0.04 -0.36 -0.69 0.00 0.00 174.62 173.75 1kf8 s PHE 46 N 0.31 2.98 -0.17 4.92 0.08 -0.15 -4.44 117.98 121.51 1kf8 s PHE 46 Ca -0.07 0.02 -0.01 0.00 0.12 0.00 0.00 56.93 57.00 1kf8 s PHE 46 Cb -0.12 -1.65 -0.01 0.00 -0.57 0.00 0.00 43.02 40.68 1kf8 s PHE 46 CO 0.02 0.41 -0.12 0.08 -0.10 0.00 0.00 175.22 175.51 1kf8 s VAL 47 N -1.01 2.93 -0.98 -0.44 1.01 0.11 -0.73 120.40 121.29 1kf8 s VAL 47 Ca 0.17 -0.67 -0.01 0.00 0.00 0.00 0.00 61.98 61.47 1kf8 s VAL 47 Cb -0.11 -2.26 0.31 0.00 0.00 0.00 0.00 36.38 34.32 1kf8 s VAL 47 CO 0.08 0.49 1.54 1.41 0.00 0.00 0.00 175.10 178.62 1kf8 n HIS 48 N 4.18 2.74 -4.10 5.22 -0.00 0.11 -1.03 115.22 122.34 1kf8 n HIS 48 Ca -0.19 -2.81 -0.10 0.00 -0.00 0.00 0.00 57.72 54.62 1kf8 n HIS 48 Cb 0.52 -1.11 -0.09 0.00 -0.00 0.00 0.00 29.99 29.31 1kf8 n HIS 48 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.34 175.13 1kf8 s GLU 49 N -3.54 1.01 0.60 -0.41 0.41 -1.26 -4.59 118.70 110.92 1kf8 s GLU 49 Ca 0.37 -1.37 -0.19 0.00 -0.41 0.00 0.00 54.97 53.37 1kf8 s GLU 49 Cb 0.14 0.28 -0.03 0.00 -1.78 0.00 0.00 34.13 32.74 1kf8 s GLU 49 CO -0.03 -0.31 1.21 -1.54 -0.49 0.00 0.00 175.26 174.10 1kf8 s SER 50 N -3.03 5.12 0.24 -0.19 1.04 -1.26 -4.15 113.70 111.46 1kf8 s SER 50 Ca 0.23 2.40 -0.07 0.00 0.48 0.00 0.00 55.95 59.00 1kf8 s SER 50 Cb 0.06 -2.60 0.27 0.00 0.10 0.00 0.00 66.02 63.85 1kf8 s SER 50 CO 0.02 -1.64 1.89 0.25 0.98 0.00 0.00 173.24 174.74 1kf8 h LEU 51 N 0.83 0.97 -1.04 2.42 5.85 -1.98 -2.42 115.31 119.94 1kf8 h LEU 51 Ca -0.50 -0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.19 1kf8 h LEU 51 Cb 1.30 -0.22 -0.04 0.00 0.37 0.00 0.00 40.66 42.07 1kf8 h LEU 51 CO 0.55 0.67 0.46 0.00 -0.34 0.00 0.00 178.44 179.78 1kf8 h ALA 52 N 1.36 1.27 -0.31 1.25 0.00 -1.99 0.75 119.26 121.60 1kf8 h ALA 52 Ca 0.35 -0.11 -0.10 0.00 0.00 0.00 0.00 54.91 55.05 1kf8 h ALA 52 Cb -0.02 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.43 1kf8 h ALA 52 CO -0.11 0.60 -0.21 -0.44 0.00 0.00 0.00 179.25 179.09 1kf8 h ASP 53 N 1.14 0.58 -0.13 0.00 3.32 -1.82 -1.44 116.42 118.06 1kf8 h ASP 53 Ca 0.29 -0.19 -0.16 0.00 0.02 0.00 0.00 57.03 57.00 1kf8 h ASP 53 Cb 0.00 -0.16 0.01 0.00 0.22 0.00 0.00 39.33 39.40 1kf8 h ASP 53 CO -0.05 0.79 -0.52 0.58 -1.72 0.00 0.00 179.24 178.32 1kf8 h VAL 54 N 0.52 1.34 -0.44 -1.35 2.07 -1.08 -3.16 116.25 114.15 1kf8 h VAL 54 Ca 0.08 -1.81 0.03 0.00 0.82 0.00 0.00 66.70 65.82 1kf8 h VAL 54 Cb 0.64 2.09 -0.02 0.00 -1.52 0.00 0.00 31.29 32.48 1kf8 h VAL 54 CO 0.05 0.55 0.30 1.56 0.02 0.00 0.00 177.57 180.04 1kf8 h GLN 55 N 0.23 0.49 0.00 1.57 4.20 -0.74 -1.83 115.11 119.03 1kf8 h GLN 55 Ca -0.03 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.65 1kf8 h GLN 55 Cb 1.16 -0.11 0.00 0.00 0.30 0.00 0.00 27.48 28.82 1kf8 h GLN 55 CO 0.11 0.33 0.00 0.00 -0.67 0.00 0.00 178.83 178.60 1kf8 h ALA 56 N 1.74 1.00 0.00 3.87 0.00 -1.23 -2.54 119.26 122.10 1kf8 h ALA 56 Ca 0.18 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 1kf8 h ALA 56 Cb 0.08 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 1kf8 h ALA 56 CO -0.04 0.00 -0.03 0.28 0.00 0.00 0.00 179.25 179.46 1kf8 h VAL 57 N 0.00 0.71 0.00 0.00 2.07 -1.38 -1.02 116.25 116.62 1kf8 h VAL 57 Ca 0.00 -0.10 0.00 0.00 0.82 0.00 0.00 66.70 67.42 1kf8 h VAL 57 Cb 0.22 1.06 0.00 0.00 -1.52 0.00 0.00 31.29 31.05 1kf8 h VAL 57 CO 0.00 0.03 0.00 0.00 0.02 0.00 0.00 177.57 177.62 1kf8 n SER 59 N -1.40 2.99 0.00 0.00 7.64 -0.39 -5.00 113.62 117.47 1kf8 n SER 59 Ca 0.03 -2.22 0.00 0.00 1.01 0.00 0.00 58.87 57.69 1kf8 n SER 59 Cb 0.08 -0.27 0.00 0.00 -1.01 0.00 0.00 64.21 63.01 1kf8 n SER 59 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1kf8 n GLN 60 N 0.16 2.62 -2.73 1.43 6.02 -0.39 -5.01 117.38 119.48 1kf8 n GLN 60 Ca 0.12 0.00 -0.43 0.00 -0.01 0.00 0.00 57.00 56.69 1kf8 n GLN 60 Cb 0.50 0.00 -0.03 0.00 1.02 0.00 0.00 30.24 31.73 1kf8 n GLN 60 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.06 176.26 1kf8 s LYS 61 N 4.87 4.06 0.06 -1.09 2.20 -1.02 -4.88 119.74 123.95 1kf8 s LYS 61 Ca 0.00 0.97 -0.31 0.00 -0.36 0.00 0.00 55.97 56.27 1kf8 s LYS 61 Cb 0.00 -3.72 -0.06 0.00 -1.51 0.00 0.00 37.83 32.54 1kf8 s LYS 61 CO 0.00 -0.80 1.20 1.21 -0.36 0.00 0.00 175.35 176.60 1kf8 s ASN 62 N 1.58 7.08 0.07 1.43 3.04 -1.26 -0.43 114.94 126.45 1kf8 s ASN 62 Ca 0.41 2.02 -0.02 0.00 0.04 0.00 0.00 52.86 55.31 1kf8 s ASN 62 Cb -0.13 -2.58 -0.03 0.00 -1.54 0.00 0.00 41.25 36.97 1kf8 s ASN 62 CO 0.13 -0.47 0.02 0.68 -3.04 0.00 0.00 177.10 174.42 1kf8 s VAL 63 N 1.06 0.19 0.28 -5.21 -7.23 -0.30 -4.92 120.40 104.26 1kf8 s VAL 63 Ca 0.59 -1.72 -0.29 0.00 -1.81 0.00 0.00 61.98 58.74 1kf8 s VAL 63 Cb -0.29 -1.58 -0.10 0.00 0.56 0.00 0.00 36.38 34.97 1kf8 s VAL 63 CO 0.29 -0.85 1.27 0.00 -0.31 0.00 0.00 175.10 175.50 1kf8 s ALA 64 N -3.93 3.49 0.88 1.32 0.00 -1.26 -3.16 121.76 119.10 1kf8 s ALA 64 Ca 0.09 1.14 -0.11 0.00 0.00 0.00 0.00 51.96 53.08 1kf8 s ALA 64 Cb 0.07 -3.45 0.12 0.00 0.00 0.00 0.00 23.12 19.86 1kf8 s ALA 64 CO -0.08 -0.51 1.09 0.00 0.00 0.00 0.00 175.76 176.26 1kf8 h LYS 66 N -1.50 0.52 -0.25 0.00 1.57 -1.91 -0.66 116.57 114.35 1kf8 h LYS 66 Ca -0.49 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.26 1kf8 h LYS 66 Cb 1.28 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 33.47 1kf8 h LYS 66 CO 0.55 0.34 0.00 0.27 -0.57 0.00 0.00 179.45 180.04 1kf8 n ASN 67 N -4.49 1.73 0.00 0.86 6.94 -1.26 -4.93 115.26 114.11 1kf8 n ASN 67 Ca 0.12 -1.84 0.00 0.00 -0.02 0.00 0.00 54.58 52.84 1kf8 n ASN 67 Cb 0.39 -0.16 0.00 0.00 -2.36 0.00 0.00 39.78 37.65 1kf8 n ASN 67 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1kf8 n GLY 68 N 1.09 0.82 3.71 4.83 0.00 -0.25 -5.06 105.19 110.32 1kf8 n GLY 68 Ca 0.14 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.84 1kf8 n GLY 68 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1kf8 s GLN 69 N -0.78 1.62 -0.13 1.61 -0.21 -1.26 -4.66 119.66 115.84 1kf8 s GLN 69 Ca 0.00 1.53 0.16 0.00 0.02 0.00 0.00 55.36 57.07 1kf8 s GLN 69 Cb 0.00 -1.80 0.36 0.00 1.00 0.00 0.00 33.01 32.57 1kf8 s GLN 69 CO 0.00 -2.18 1.25 0.25 -2.12 0.00 0.00 175.29 172.49 1kf8 n THR 70 N -3.63 1.90 -1.21 -0.19 -2.24 -1.26 -0.31 114.28 107.33 1kf8 n THR 70 Ca 0.12 -1.91 -0.22 0.00 -2.27 0.00 0.00 64.05 59.77 1kf8 n THR 70 Cb 0.52 -0.12 0.19 0.00 -2.10 0.00 0.00 70.33 68.82 1kf8 n THR 70 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 1kf8 n ASN 71 N -0.84 3.85 -4.94 3.42 6.94 -1.26 -4.73 115.26 117.70 1kf8 n ASN 71 Ca 0.16 -3.57 -0.26 0.00 -0.02 0.00 0.00 54.58 50.89 1kf8 n ASN 71 Cb 0.69 -0.83 -0.03 0.00 -2.36 0.00 0.00 39.78 37.25 1kf8 n ASN 71 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1kf8 s TYR 73 N -1.77 -0.14 -0.12 0.00 1.51 0.18 -1.15 117.35 115.86 1kf8 s TYR 73 Ca 0.35 0.38 -0.04 0.00 -1.01 0.00 0.00 57.07 56.75 1kf8 s TYR 73 Cb -0.11 -0.02 -0.03 0.00 -0.11 0.00 0.00 41.96 41.69 1kf8 s TYR 73 CO 0.29 -0.10 0.02 -1.14 -1.11 0.00 0.00 175.55 173.50 1kf8 s GLN 74 N 0.54 3.36 0.43 -0.62 0.74 0.43 -1.39 119.66 123.14 1kf8 s GLN 74 Ca -0.04 -0.39 -0.24 0.00 0.05 0.00 0.00 55.36 54.74 1kf8 s GLN 74 Cb -0.05 -2.94 -0.08 0.00 1.10 0.00 0.00 33.01 31.04 1kf8 s GLN 74 CO -0.02 0.54 1.21 -1.54 -0.55 0.00 0.00 175.29 174.93 1kf8 s SER 75 N -0.42 6.26 0.28 6.67 1.04 -0.21 -2.43 113.70 124.90 1kf8 s SER 75 Ca 0.08 2.44 0.05 0.00 0.48 0.00 0.00 55.95 59.01 1kf8 s SER 75 Cb -0.12 -2.62 0.42 0.00 0.10 0.00 0.00 66.02 63.80 1kf8 s SER 75 CO 0.02 -0.86 1.68 1.88 0.98 0.00 0.00 173.24 176.94 1kf8 h TYR 76 N 2.37 0.33 -2.28 5.02 0.05 -1.95 -3.44 116.97 117.07 1kf8 h TYR 76 Ca -0.49 -0.09 -0.56 0.00 0.05 0.00 0.00 58.73 57.64 1kf8 h TYR 76 Cb 1.25 -0.07 -0.09 0.00 1.01 0.00 0.00 36.73 38.82 1kf8 h TYR 76 CO 0.53 0.65 -0.64 -1.12 -1.05 0.00 0.00 178.16 176.54 1kf8 s SER 77 N -6.87 4.62 0.61 3.88 0.01 -1.26 -5.08 113.70 109.61 1kf8 s SER 77 Ca -0.05 -0.59 -0.14 0.00 1.31 0.00 0.00 55.95 56.48 1kf8 s SER 77 Cb 0.13 -0.90 -0.03 0.00 0.21 0.00 0.00 66.02 65.44 1kf8 s SER 77 CO 0.78 0.01 1.04 0.42 0.41 0.00 0.00 173.24 175.90 1kf8 s THR 78 N -2.24 4.05 0.09 1.44 -4.23 -1.26 -4.50 115.64 108.99 1kf8 s THR 78 Ca 0.31 0.86 0.05 0.00 -1.18 0.00 0.00 61.69 61.73 1kf8 s THR 78 Cb -0.07 -3.47 -0.03 0.00 1.34 0.00 0.00 72.50 70.26 1kf8 s THR 78 CO 0.20 -0.68 -0.13 -0.04 -0.54 0.00 0.00 174.62 173.43 1kf8 s MET 79 N -4.43 0.87 -0.16 3.99 -1.94 0.34 -4.88 119.30 113.10 1kf8 s MET 79 Ca 0.61 -1.08 -0.29 0.00 -1.71 0.00 0.00 55.69 53.22 1kf8 s MET 79 Cb -0.14 -0.77 -0.01 0.00 2.01 0.00 0.00 34.83 35.92 1kf8 s MET 79 CO 0.42 0.15 1.18 0.45 -0.01 0.00 0.00 175.02 177.22 1kf8 s SER 80 N -2.10 7.02 0.13 3.03 0.15 -1.26 -1.72 113.70 118.95 1kf8 s SER 80 Ca 0.03 1.62 0.04 0.00 0.70 0.00 0.00 55.95 58.34 1kf8 s SER 80 Cb -0.07 -2.54 -0.04 0.00 -1.71 0.00 0.00 66.02 61.66 1kf8 s SER 80 CO 0.02 -0.69 -0.10 0.27 1.20 0.00 0.00 173.24 173.94 1kf8 s ILE 81 N 3.14 1.09 -0.12 6.45 -4.36 -0.53 -0.71 121.20 126.16 1kf8 s ILE 81 Ca 0.52 -2.00 0.02 0.00 -0.26 0.00 0.00 60.65 58.93 1kf8 s ILE 81 Cb -0.20 -1.77 0.01 0.00 1.25 0.00 0.00 42.46 41.75 1kf8 s ILE 81 CO 0.14 -0.74 -0.17 -0.89 0.24 0.00 0.00 174.94 173.51 1kf8 s THR 82 N -3.26 1.67 -0.06 8.37 2.01 0.09 -1.25 115.64 123.21 1kf8 s THR 82 Ca 0.15 -0.75 -0.15 0.00 0.31 0.00 0.00 61.69 61.25 1kf8 s THR 82 Cb 0.02 -1.51 -0.05 0.00 0.01 0.00 0.00 72.50 70.98 1kf8 s THR 82 CO -0.00 0.47 0.40 -1.81 -0.69 0.00 0.00 174.62 172.99 1kf8 s ASP 83 N 0.90 6.70 -0.12 3.53 1.01 -0.05 -0.98 116.67 127.65 1kf8 s ASP 83 Ca -0.08 0.83 0.02 0.00 0.71 0.00 0.00 52.55 54.04 1kf8 s ASP 83 Cb -0.15 -2.24 0.01 0.00 1.01 0.00 0.00 42.92 41.54 1kf8 s ASP 83 CO -0.01 0.20 -0.20 0.00 0.21 0.00 0.00 175.17 175.37 1kf8 s ARG 85 N 0.83 0.79 0.33 0.00 3.52 -0.88 -1.34 118.95 122.19 1kf8 s ARG 85 Ca -0.08 -0.25 -0.29 0.00 -0.13 0.00 0.00 55.73 54.98 1kf8 s ARG 85 Cb -0.16 -0.76 -0.11 0.00 -1.56 0.00 0.00 34.95 32.37 1kf8 s ARG 85 CO -0.01 0.09 1.42 -2.00 -0.81 0.00 0.00 175.30 174.00 1kf8 s GLU 86 N 0.19 4.23 0.56 5.12 2.12 -0.37 -0.55 118.70 130.01 1kf8 s GLU 86 Ca -0.03 2.39 0.01 0.00 0.36 0.00 0.00 54.97 57.71 1kf8 s GLU 86 Cb -0.08 -3.04 0.04 0.00 0.26 0.00 0.00 34.13 31.32 1kf8 s GLU 86 CO 0.00 -0.39 0.79 0.95 -0.54 0.00 0.00 175.26 176.07 1kf8 s THR 87 N -0.82 2.62 0.22 -1.70 -4.23 -0.43 -4.80 115.64 106.49 1kf8 s THR 87 Ca 0.53 -0.67 0.36 0.00 -1.18 0.00 0.00 61.69 60.73 1kf8 s THR 87 Cb -0.43 -2.95 0.39 0.00 1.34 0.00 0.00 72.50 70.85 1kf8 s THR 87 CO 0.54 0.00 2.07 1.23 -0.54 0.00 0.00 174.62 177.93 1kf8 h GLY 88 N 0.03 0.00 -0.37 3.99 0.00 -1.94 -2.00 103.07 102.78 1kf8 h GLY 88 Ca -0.41 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.92 1kf8 h GLY 88 CO 0.51 0.00 -0.10 -1.14 0.00 0.00 0.00 176.54 175.81 1kf8 n SER 89 N -3.00 1.48 -4.73 0.19 3.41 -1.26 -4.93 113.62 104.78 1kf8 n SER 89 Ca -0.00 -1.34 -0.42 0.00 -0.26 0.00 0.00 58.87 56.85 1kf8 n SER 89 Cb 0.22 0.06 -0.03 0.00 -0.26 0.00 0.00 64.21 64.20 1kf8 n SER 89 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1kf8 s SER 90 N -2.18 6.73 -0.24 4.04 0.15 -0.76 -4.86 113.70 116.58 1kf8 s SER 90 Ca 0.32 2.53 -0.04 0.00 0.70 0.00 0.00 55.95 59.46 1kf8 s SER 90 Cb 0.20 -2.61 0.13 0.00 -1.71 0.00 0.00 66.02 62.03 1kf8 s SER 90 CO 0.40 -0.68 0.43 -0.75 1.20 0.00 0.00 173.24 173.84 1kf8 s LYS 91 N 0.30 0.38 0.23 5.44 2.20 -0.91 -4.90 119.74 122.47 1kf8 s LYS 91 Ca 0.62 0.80 -0.31 0.00 -0.36 0.00 0.00 55.97 56.72 1kf8 s LYS 91 Cb -0.40 -0.02 -0.14 0.00 -1.51 0.00 0.00 37.83 35.75 1kf8 s LYS 91 CO 0.37 -0.49 1.22 0.98 -0.36 0.00 0.00 175.35 177.06 1kf8 n TYR 92 N 5.39 1.65 1.43 4.03 9.36 -1.26 -0.13 117.16 137.62 1kf8 n TYR 92 Ca -0.05 0.60 0.12 0.00 3.32 0.00 0.00 57.90 61.88 1kf8 n TYR 92 Cb 0.50 -2.34 0.47 0.00 -0.63 0.00 0.00 39.34 37.34 1kf8 n TYR 92 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 1kf8 n PRO 93 N 1.52 1.61 -2.59 2.98 -0.04 -1.26 -4.95 135.00 132.26 1kf8 n PRO 93 Ca 0.12 -0.90 -0.43 0.00 -0.04 0.00 0.00 63.50 62.25 1kf8 n PRO 93 Cb 0.29 -1.42 0.01 0.00 -0.04 0.00 0.00 33.50 32.34 1kf8 n PRO 93 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1kf8 n ASN 94 N 0.11 5.74 -4.74 3.54 5.03 0.82 -4.99 115.26 120.77 1kf8 n ASN 94 Ca 0.17 -3.24 -0.41 0.00 0.87 0.00 0.00 54.58 51.96 1kf8 n ASN 94 Cb 0.30 -1.39 -0.03 0.00 -1.02 0.00 0.00 39.78 37.65 1kf8 n ASN 94 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1kf8 s ALA 96 N 0.25 0.55 0.03 0.00 0.00 -1.26 -4.93 121.76 116.40 1kf8 s ALA 96 Ca 0.60 -0.28 0.02 0.00 0.00 0.00 0.00 51.96 52.30 1kf8 s ALA 96 Cb -0.40 -0.14 -0.02 0.00 0.00 0.00 0.00 23.12 22.55 1kf8 s ALA 96 CO 0.40 0.13 -0.07 0.71 0.00 0.00 0.00 175.76 176.93 1kf8 s TYR 97 N -0.14 0.59 -0.09 0.00 2.02 -1.26 -1.32 117.35 117.15 1kf8 s TYR 97 Ca 0.02 -0.43 -0.19 0.00 -0.37 0.00 0.00 57.07 56.11 1kf8 s TYR 97 Cb -0.03 -0.36 -0.04 0.00 -0.40 0.00 0.00 41.96 41.13 1kf8 s TYR 97 CO -0.00 -0.08 0.51 0.21 -1.57 0.00 0.00 175.55 174.62 1kf8 s LYS 98 N -1.31 4.32 -0.22 -0.62 2.20 0.29 -4.63 119.74 119.77 1kf8 s LYS 98 Ca -0.08 0.53 -0.11 0.00 -0.36 0.00 0.00 55.97 55.95 1kf8 s LYS 98 Cb -0.09 -3.41 -0.05 0.00 -1.51 0.00 0.00 37.83 32.78 1kf8 s LYS 98 CO 0.00 0.21 0.19 0.99 -0.36 0.00 0.00 175.35 176.38 1kf8 s THR 99 N 0.41 5.35 -0.06 3.43 2.01 -1.26 -2.07 115.64 123.46 1kf8 s THR 99 Ca 0.28 0.27 0.02 0.00 0.31 0.00 0.00 61.69 62.56 1kf8 s THR 99 Cb -0.16 -3.53 0.01 0.00 0.01 0.00 0.00 72.50 68.84 1kf8 s THR 99 CO 0.12 0.36 -0.10 -0.89 -0.69 0.00 0.00 174.62 173.42 1kf8 s THR 100 N 0.88 0.95 0.21 -0.82 2.01 -0.38 -4.97 115.64 113.52 1kf8 s THR 100 Ca 0.10 -0.38 -0.15 0.00 0.31 0.00 0.00 61.69 61.56 1kf8 s THR 100 Cb -0.13 -0.89 -0.08 0.00 0.01 0.00 0.00 72.50 71.41 1kf8 s THR 100 CO 0.03 0.31 0.63 -1.10 -0.69 0.00 0.00 174.62 173.81 1kf8 s GLN 101 N 0.69 4.03 0.20 4.92 -0.21 -1.26 -0.88 119.66 127.16 1kf8 s GLN 101 Ca -0.13 0.60 -0.15 0.00 0.02 0.00 0.00 55.36 55.69 1kf8 s GLN 101 Cb -0.15 -2.78 0.02 0.00 1.00 0.00 0.00 33.01 31.10 1kf8 s GLN 101 CO 0.03 0.37 0.48 0.00 -2.12 0.00 0.00 175.29 174.04 1kf8 s ALA 102 N -1.63 -0.66 -0.25 6.09 0.00 -0.38 -4.94 121.76 119.98 1kf8 s ALA 102 Ca 0.44 -0.45 -0.02 0.00 0.00 0.00 0.00 51.96 51.92 1kf8 s ALA 102 Cb -0.14 0.88 0.08 0.00 0.00 0.00 0.00 23.12 23.94 1kf8 s ALA 102 CO 0.20 -0.79 0.07 1.21 0.00 0.00 0.00 175.76 176.45 1kf8 s ASN 103 N -2.91 3.45 0.09 0.00 2.47 -1.26 -1.46 114.94 115.33 1kf8 s ASN 103 Ca 0.13 -1.21 -0.05 0.00 0.42 0.00 0.00 52.86 52.14 1kf8 s ASN 103 Cb -0.00 -0.67 -0.02 0.00 -1.45 0.00 0.00 41.25 39.10 1kf8 s ASN 103 CO -0.00 -0.37 0.11 -0.54 -3.72 0.00 0.00 177.10 172.58 1kf8 s LYS 104 N 1.79 0.82 0.43 0.43 -0.14 -0.70 -4.82 119.74 117.56 1kf8 s LYS 104 Ca 0.05 -1.15 -0.23 0.00 -1.36 0.00 0.00 55.97 53.27 1kf8 s LYS 104 Cb -0.17 0.29 -0.08 0.00 -1.68 0.00 0.00 37.83 36.18 1kf8 s LYS 104 CO -0.19 -0.23 1.10 -1.01 -0.76 0.00 0.00 175.35 174.26 1kf8 s HIS 105 N -3.92 3.08 0.10 3.18 3.76 -1.26 -0.50 115.29 119.73 1kf8 s HIS 105 Ca 0.10 1.59 0.04 0.00 -0.15 0.00 0.00 55.06 56.64 1kf8 s HIS 105 Cb 0.06 -3.24 -0.04 0.00 1.11 0.00 0.00 32.58 30.48 1kf8 s HIS 105 CO -0.07 -1.03 0.07 0.96 -0.85 0.00 0.00 174.74 173.82 1kf8 s ILE 106 N -1.62 4.35 -0.12 0.60 -4.36 -1.26 -1.19 121.20 117.59 1kf8 s ILE 106 Ca 0.61 -0.92 0.01 0.00 -0.26 0.00 0.00 60.65 60.09 1kf8 s ILE 106 Cb -0.25 -3.12 0.02 0.00 1.25 0.00 0.00 42.46 40.36 1kf8 s ILE 106 CO 0.30 0.06 -0.14 -0.63 0.24 0.00 0.00 174.94 174.78 1kf8 s ILE 107 N -1.46 1.44 0.13 8.37 1.01 -0.02 -1.04 121.20 129.62 1kf8 s ILE 107 Ca 0.29 -0.58 0.07 0.00 0.00 0.00 0.00 60.65 60.43 1kf8 s ILE 107 Cb -0.11 -1.35 -0.04 0.00 0.01 0.00 0.00 42.46 40.97 1kf8 s ILE 107 CO 0.21 0.43 -0.16 0.68 0.00 0.00 0.00 174.94 176.10 1kf8 s VAL 108 N 1.26 1.49 -0.08 2.92 -7.23 -0.49 -0.38 120.40 117.90 1kf8 s VAL 108 Ca -0.01 -1.73 -0.10 0.00 -1.81 0.00 0.00 61.98 58.33 1kf8 s VAL 108 Cb -0.14 -1.59 -0.05 0.00 0.56 0.00 0.00 36.38 35.16 1kf8 s VAL 108 CO -0.06 -0.34 0.25 0.00 -0.31 0.00 0.00 175.10 174.64 1kf8 s ALA 109 N -1.95 3.80 0.08 1.32 0.00 -0.19 -0.64 121.76 124.17 1kf8 s ALA 109 Ca 0.10 -0.47 0.10 0.00 0.00 0.00 0.00 51.96 51.68 1kf8 s ALA 109 Cb -0.06 -2.15 -0.03 0.00 0.00 0.00 0.00 23.12 20.88 1kf8 s ALA 109 CO 0.04 0.54 -0.26 0.00 0.00 0.00 0.00 175.76 176.08 1kf8 s GLU 111 N -1.58 0.96 0.00 0.00 2.02 -0.64 -4.90 118.70 114.56 1kf8 s GLU 111 Ca 0.12 -0.82 0.00 0.00 0.02 0.00 0.00 54.97 54.29 1kf8 s GLU 111 Cb -0.10 0.41 0.00 0.00 0.10 0.00 0.00 34.13 34.54 1kf8 s GLU 111 CO 0.04 -0.34 0.00 0.41 0.02 0.00 0.00 175.26 175.38 1kf8 n GLY 112 N -0.12 0.26 2.69 -1.39 0.00 -1.26 -2.02 105.19 103.35 1kf8 n GLY 112 Ca -0.16 -2.04 -0.28 0.00 0.00 0.00 0.00 46.02 43.54 1kf8 n GLY 112 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1kf8 s ASN 113 N -0.26 3.09 0.57 1.61 3.04 -1.26 -2.85 114.94 118.87 1kf8 s ASN 113 Ca 0.00 -0.98 -0.20 0.00 0.04 0.00 0.00 52.86 51.72 1kf8 s ASN 113 Cb 0.00 -0.55 -0.04 0.00 -1.54 0.00 0.00 41.25 39.12 1kf8 s ASN 113 CO 0.00 -0.35 1.25 -2.16 -3.04 0.00 0.00 177.10 172.80 1kf8 s PRO 114 N 1.90 3.09 -0.47 0.43 0.04 -1.26 -5.10 135.00 133.62 1kf8 s PRO 114 Ca 0.03 1.96 -0.26 0.00 0.04 0.00 0.00 61.00 62.76 1kf8 s PRO 114 Cb -0.17 -2.08 0.03 0.00 0.04 0.00 0.00 34.50 32.32 1kf8 s PRO 114 CO -0.15 -1.15 0.98 -0.47 0.04 0.00 0.00 177.00 176.26 1kf8 s TYR 115 N -1.48 2.88 0.15 0.56 5.04 -1.13 -4.90 117.35 118.46 1kf8 s TYR 115 Ca 0.74 0.43 0.03 0.00 -2.44 0.00 0.00 57.07 55.83 1kf8 s TYR 115 Cb -0.34 -4.10 -0.04 0.00 0.35 0.00 0.00 41.96 37.82 1kf8 s TYR 115 CO 0.38 -1.17 -0.05 0.14 -1.34 0.00 0.00 175.55 173.51 1kf8 s VAL 116 N 3.97 0.84 0.25 3.14 -7.23 -0.85 -4.87 120.40 115.64 1kf8 s VAL 116 Ca 0.39 -1.99 -0.30 0.00 -1.81 0.00 0.00 61.98 58.28 1kf8 s VAL 116 Cb -0.09 -1.92 -0.10 0.00 0.56 0.00 0.00 36.38 34.83 1kf8 s VAL 116 CO 0.27 -0.67 1.35 -2.84 -0.31 0.00 0.00 175.10 172.91 1kf8 s PRO 117 N -3.84 4.34 0.00 4.82 0.02 -1.26 -1.62 135.00 137.46 1kf8 s PRO 117 Ca 0.18 2.17 0.00 0.00 0.02 0.00 0.00 61.00 63.37 1kf8 s PRO 117 Cb 0.05 -3.14 0.00 0.00 0.02 0.00 0.00 34.50 31.43 1kf8 s PRO 117 CO 0.00 -0.29 0.00 1.33 -0.33 0.00 0.00 177.00 177.72 1kf8 n VAL 118 N 2.11 0.00 -3.70 3.83 0.24 0.10 -4.51 118.33 116.39 1kf8 n VAL 118 Ca 0.05 -0.33 -0.13 0.00 -2.04 0.00 0.00 64.34 61.89 1kf8 n VAL 118 Cb 0.42 0.92 -0.09 0.00 -1.47 0.00 0.00 33.84 33.62 1kf8 n VAL 118 CO 0.00 0.00 0.00 -2.28 -2.14 0.00 0.00 176.83 172.41 1kf8 s HIS 119 N -0.84 -0.58 -0.37 6.34 5.65 -1.16 -4.70 115.29 119.63 1kf8 s HIS 119 Ca 0.00 1.36 -0.16 0.00 0.25 0.00 0.00 55.06 56.51 1kf8 s HIS 119 Cb 0.00 0.21 0.00 0.00 -1.18 0.00 0.00 32.58 31.62 1kf8 s HIS 119 CO 0.00 -0.28 0.40 0.12 -0.65 0.00 0.00 174.74 174.32 1kf8 s PHE 120 N 0.45 3.19 -0.18 3.88 2.19 -1.26 -1.02 117.98 125.23 1kf8 s PHE 120 Ca -0.01 -0.15 -0.17 0.00 0.33 0.00 0.00 56.93 56.92 1kf8 s PHE 120 Cb -0.04 -2.76 -0.22 0.00 -1.31 0.00 0.00 43.02 38.69 1kf8 s PHE 120 CO -0.02 -0.54 0.28 0.22 1.83 0.00 0.00 175.22 177.00 1kf8 h ASP 121 N 8.56 0.13 -4.78 6.13 3.58 -1.06 -3.49 116.42 125.50 1kf8 h ASP 121 Ca -0.28 -0.65 0.16 0.00 0.42 0.00 0.00 57.03 56.68 1kf8 h ASP 121 Cb 1.13 -0.04 -0.14 0.00 1.72 0.00 0.00 39.33 41.99 1kf8 h ASP 121 CO 0.74 1.59 0.57 0.00 -2.88 0.00 0.00 179.24 179.26 1kf8 s ALA 122 N -2.42 -1.87 0.04 -0.78 0.00 -1.08 -4.91 121.76 110.74 1kf8 s ALA 122 Ca -0.26 0.93 0.09 0.00 0.00 0.00 0.00 51.96 52.72 1kf8 s ALA 122 Cb 0.06 0.36 -0.03 0.00 0.00 0.00 0.00 23.12 23.51 1kf8 s ALA 122 CO 0.65 -0.76 -0.26 -1.12 0.00 0.00 0.00 175.76 174.27 1kf8 s SER 123 N -2.55 3.18 0.00 0.00 0.01 -1.26 -0.84 113.70 112.23 1kf8 s SER 123 Ca 0.08 -0.57 0.00 0.00 1.31 0.00 0.00 55.95 56.77 1kf8 s SER 123 Cb -0.01 -0.31 0.00 0.00 0.21 0.00 0.00 66.02 65.92 1kf8 s SER 123 CO -0.06 0.27 0.03 1.33 0.41 0.00 0.00 173.24 175.22