#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kf8 s LYS 3 N 0.00 0.78 -0.25 1.43 1.02 -1.26 -4.95 119.74 116.52 3kf8 s LYS 3 Ca 0.00 -0.62 -0.07 0.00 0.02 0.00 0.00 55.97 55.30 3kf8 s LYS 3 Cb 0.00 0.33 -0.03 0.00 -0.52 0.00 0.00 37.83 37.61 3kf8 s LYS 3 CO 0.00 -0.24 0.07 0.42 -0.92 0.00 0.00 175.35 174.68 3kf8 s ILE 4 N -2.77 4.37 -0.17 2.17 1.01 -1.26 -3.38 121.20 121.16 3kf8 s ILE 4 Ca -0.03 -0.15 -0.18 0.00 0.00 0.00 0.00 60.65 60.29 3kf8 s ILE 4 Cb -0.00 -3.04 -0.04 0.00 0.01 0.00 0.00 42.46 39.39 3kf8 s ILE 4 CO -0.05 0.34 0.47 -0.63 0.00 0.00 0.00 174.94 175.07 3kf8 s ILE 5 N 1.56 5.16 -0.06 2.92 1.09 0.53 -4.91 121.20 127.49 3kf8 s ILE 5 Ca 0.06 0.88 0.16 0.00 -1.10 0.00 0.00 60.65 60.65 3kf8 s ILE 5 Cb -0.15 -3.80 -0.25 0.00 -1.06 0.00 0.00 42.46 37.20 3kf8 s ILE 5 CO 0.04 0.25 0.37 0.18 -0.10 0.00 0.00 174.94 175.68 3kf8 n LEU 6 N 4.33 0.04 -3.93 2.97 4.77 -1.26 -1.74 117.00 122.18 3kf8 n LEU 6 Ca -0.07 -0.03 -0.30 0.00 -0.03 0.00 0.00 56.01 55.58 3kf8 n LEU 6 Cb 0.51 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 41.46 3kf8 n LEU 6 CO 0.42 0.01 -0.26 -0.63 -1.33 0.00 0.00 177.39 175.59 3kf8 s ILE 7 N -3.09 2.15 0.27 -0.08 1.01 -1.26 -4.27 121.20 115.93 3kf8 s ILE 7 Ca -0.05 -2.65 -0.01 0.00 0.00 0.00 0.00 60.65 57.95 3kf8 s ILE 7 Cb 0.10 -2.54 0.26 0.00 0.01 0.00 0.00 42.46 40.29 3kf8 s ILE 7 CO 0.67 -0.72 1.71 -0.65 0.00 0.00 0.00 174.94 175.95 3kf8 h PRO 8 N 7.13 0.39 0.00 2.79 0.11 -1.89 -0.80 132.00 139.73 3kf8 h PRO 8 Ca -0.06 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.03 3kf8 h PRO 8 Cb 0.96 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 31.98 3kf8 h PRO 8 CO 0.57 0.25 0.00 -1.13 -0.21 0.00 0.00 178.00 177.49 3kf8 n SER 9 N -5.05 0.00 -0.21 -2.05 3.41 -1.26 -2.17 113.62 106.30 3kf8 n SER 9 Ca 0.18 0.35 0.14 0.00 -0.26 0.00 0.00 58.87 59.27 3kf8 n SER 9 Cb 0.53 -0.42 0.49 0.00 -0.26 0.00 0.00 64.21 64.55 3kf8 n SER 9 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3kf8 n ASN 10 N -1.42 0.82 -0.06 4.04 4.13 -0.30 -4.37 115.26 118.09 3kf8 n ASN 10 Ca 0.05 -0.81 -0.08 0.00 1.68 0.00 0.00 54.58 55.42 3kf8 n ASN 10 Cb 0.16 0.04 -0.01 0.00 -1.54 0.00 0.00 39.78 38.42 3kf8 n ASN 10 CO 0.00 0.00 0.00 0.40 0.28 0.00 0.00 177.26 177.94 3kf8 h ILE 11 N 1.03 0.42 -0.39 2.41 2.04 -1.54 0.71 117.51 122.19 3kf8 h ILE 11 Ca 0.00 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.84 3kf8 h ILE 11 Cb 0.44 0.42 -0.02 0.00 -0.74 0.00 0.00 36.82 36.92 3kf8 h ILE 11 CO 0.00 0.00 0.17 1.55 0.00 0.00 0.00 178.15 179.87 3kf8 h PRO 12 N -0.21 0.54 0.00 2.37 0.13 -1.84 -0.72 132.00 132.27 3kf8 h PRO 12 Ca 0.14 -0.06 -0.08 0.00 -0.87 0.00 0.00 66.00 65.13 3kf8 h PRO 12 Cb 0.43 -0.11 -0.01 0.00 0.13 0.00 0.00 31.00 31.45 3kf8 h PRO 12 CO -0.39 0.44 -0.38 1.96 -0.23 0.00 0.00 178.00 179.39 3kf8 h GLN 13 N 0.54 0.00 0.01 0.86 7.50 -1.59 -2.69 115.11 119.74 3kf8 h GLN 13 Ca 0.14 0.00 -0.21 0.00 0.50 0.00 0.00 58.65 59.08 3kf8 h GLN 13 Cb 0.09 0.00 -0.02 0.00 0.05 0.00 0.00 27.48 27.60 3kf8 h GLN 13 CO -0.02 0.38 -0.98 0.93 -1.50 0.00 0.00 178.83 177.65 3kf8 h GLU 14 N 0.00 0.04 -2.10 1.46 4.39 0.25 -3.38 114.58 115.24 3kf8 h GLU 14 Ca -0.00 -0.06 -0.57 0.00 0.34 0.00 0.00 59.36 59.06 3kf8 h GLU 14 Cb 0.86 0.02 -0.40 0.00 -0.10 0.00 0.00 28.75 29.13 3kf8 h GLU 14 CO 0.05 0.99 -0.93 1.19 -1.16 0.00 0.00 179.01 179.14 3kf8 n PHE 15 N -3.43 0.95 0.29 4.33 3.01 -0.39 -4.94 117.46 117.28 3kf8 n PHE 15 Ca -0.01 -3.75 0.17 0.00 1.01 0.00 0.00 57.45 54.86 3kf8 n PHE 15 Cb 0.91 -0.40 0.83 0.00 -0.01 0.00 0.00 39.48 40.82 3kf8 n PHE 15 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 3kf8 h PRO 16 N 4.15 0.00 -0.10 -1.08 0.13 -1.68 -2.75 132.00 130.67 3kf8 h PRO 16 Ca 0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 3kf8 h PRO 16 Cb 0.81 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.94 3kf8 h PRO 16 CO 0.58 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 178.74 3kf8 n GLU 17 N -2.74 2.22 -1.58 0.86 4.71 -1.26 -5.00 120.64 117.85 3kf8 n GLU 17 Ca -0.01 -1.79 -0.35 0.00 -0.01 0.00 0.00 57.16 55.00 3kf8 n GLU 17 Cb 0.13 -1.47 0.08 0.00 -1.01 0.00 0.00 31.44 29.17 3kf8 n GLU 17 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 3kf8 s ALA 18 N -1.89 2.23 0.09 0.62 0.00 -1.04 -4.90 121.76 116.87 3kf8 s ALA 18 Ca 0.32 0.99 -0.27 0.00 0.00 0.00 0.00 51.96 53.00 3kf8 s ALA 18 Cb 0.21 -3.49 0.08 0.00 0.00 0.00 0.00 23.12 19.92 3kf8 s ALA 18 CO 0.31 -1.72 1.08 -1.54 0.00 0.00 0.00 175.76 173.88 3kf8 s SER 19 N -1.81 -0.13 0.50 0.00 1.04 -0.99 -4.10 113.70 108.21 3kf8 s SER 19 Ca 0.77 -0.31 0.21 0.00 0.48 0.00 0.00 55.95 57.10 3kf8 s SER 19 Cb -0.32 0.37 1.30 0.00 0.10 0.00 0.00 66.02 67.48 3kf8 s SER 19 CO 0.42 -0.69 2.08 0.40 0.98 0.00 0.00 173.24 176.43 3kf8 h ILE 20 N 2.00 0.86 0.00 -1.02 2.04 -1.90 0.15 117.51 119.64 3kf8 h ILE 20 Ca -0.26 -0.42 -0.08 0.00 1.00 0.00 0.00 64.86 65.10 3kf8 h ILE 20 Cb 1.22 1.24 -0.01 0.00 -0.74 0.00 0.00 36.82 38.53 3kf8 h ILE 20 CO 0.26 0.11 -0.40 0.28 0.00 0.00 0.00 178.15 178.41 3kf8 h SER 21 N 0.00 0.00 -1.67 1.72 0.02 -1.95 -3.38 113.55 108.30 3kf8 h SER 21 Ca -0.00 0.00 -0.48 0.00 -0.84 0.00 0.00 61.79 60.47 3kf8 h SER 21 Cb 0.23 0.00 -0.33 0.00 0.14 0.00 0.00 62.40 62.44 3kf8 h SER 21 CO 0.01 0.40 -0.93 0.59 -1.14 0.00 0.00 176.83 175.76 3kf8 n ASN 22 N -3.24 -0.78 -4.71 3.07 3.02 -0.48 -5.14 115.26 107.00 3kf8 n ASN 22 Ca 0.02 -2.74 -0.30 0.00 -0.03 0.00 0.00 54.58 51.53 3kf8 n ASN 22 Cb 0.66 -0.02 0.14 0.00 -0.61 0.00 0.00 39.78 39.95 3kf8 n ASN 22 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 3kf8 s PRO 23 N -0.42 1.25 -0.17 3.52 0.04 -0.08 -2.52 135.00 136.62 3kf8 s PRO 23 Ca 0.34 0.92 0.01 0.00 0.04 0.00 0.00 61.00 62.31 3kf8 s PRO 23 Cb 0.14 -1.80 0.01 0.00 0.04 0.00 0.00 34.50 32.89 3kf8 s PRO 23 CO -0.15 -2.28 -0.20 -2.00 0.04 0.00 0.00 177.00 172.42 3kf8 s GLU 24 N -4.88 3.03 0.26 4.56 2.56 -0.51 -4.90 118.70 118.81 3kf8 s GLU 24 Ca 0.64 -0.82 -0.30 0.00 0.00 0.00 0.00 54.97 54.48 3kf8 s GLU 24 Cb -0.19 -2.55 -0.10 0.00 2.00 0.00 0.00 34.13 33.30 3kf8 s GLU 24 CO 0.57 -0.14 1.36 1.03 -0.56 0.00 0.00 175.26 177.53 3kf8 s ARG 25 N 1.13 4.33 0.14 4.30 1.81 -1.26 -1.64 118.95 127.76 3kf8 s ARG 25 Ca 0.01 2.20 -0.01 0.00 -1.72 0.00 0.00 55.73 56.21 3kf8 s ARG 25 Cb -0.14 -3.13 -0.04 0.00 -0.45 0.00 0.00 34.95 31.19 3kf8 s ARG 25 CO -0.09 -0.30 0.06 -0.51 -0.68 0.00 0.00 175.30 173.78 3kf8 s LEU 26 N -0.67 1.76 -0.09 2.53 1.43 0.12 -4.49 118.68 119.28 3kf8 s LEU 26 Ca 0.56 -1.22 -0.03 0.00 -1.03 0.00 0.00 54.13 52.41 3kf8 s LEU 26 Cb -0.40 0.27 0.05 0.00 0.03 0.00 0.00 46.19 46.14 3kf8 s LEU 26 CO 0.44 -0.72 0.12 -0.60 0.23 0.00 0.00 176.35 175.82 3kf8 s ARG 27 N -4.04 0.01 -0.11 1.70 3.52 -1.22 -1.79 118.95 117.02 3kf8 s ARG 27 Ca 0.25 0.40 -0.00 0.00 -0.13 0.00 0.00 55.73 56.25 3kf8 s ARG 27 Cb 0.07 -0.60 -0.02 0.00 -1.56 0.00 0.00 34.95 32.84 3kf8 s ARG 27 CO 0.03 -0.38 -0.09 0.42 -0.81 0.00 0.00 175.30 174.46 3kf8 s ILE 28 N 2.23 3.43 -0.25 4.11 1.01 0.18 -0.34 121.20 131.57 3kf8 s ILE 28 Ca 0.04 -0.55 -0.03 0.00 0.00 0.00 0.00 60.65 60.12 3kf8 s ILE 28 Cb -0.13 -2.44 0.02 0.00 0.01 0.00 0.00 42.46 39.93 3kf8 s ILE 28 CO -0.06 0.54 -0.03 -0.76 0.00 0.00 0.00 174.94 174.63 3kf8 s LEU 29 N -0.09 3.29 0.29 2.97 1.43 -0.71 0.30 118.68 126.16 3kf8 s LEU 29 Ca -0.00 -0.81 -0.07 0.00 -1.03 0.00 0.00 54.13 52.21 3kf8 s LEU 29 Cb -0.13 -1.71 -0.00 0.00 0.03 0.00 0.00 46.19 44.38 3kf8 s LEU 29 CO 0.03 -0.13 0.45 0.00 0.23 0.00 0.00 176.35 176.93 3kf8 s ALA 30 N 1.36 0.34 -0.10 4.21 0.00 -0.57 -4.38 121.76 122.62 3kf8 s ALA 30 Ca 0.01 -1.24 -0.00 0.00 0.00 0.00 0.00 51.96 50.72 3kf8 s ALA 30 Cb -0.17 1.13 -0.03 0.00 0.00 0.00 0.00 23.12 24.05 3kf8 s ALA 30 CO -0.03 -0.80 -0.08 -1.14 0.00 0.00 0.00 175.76 173.70 3kf8 s GLN 31 N -3.53 3.11 -0.19 0.00 0.74 0.89 -0.48 119.66 120.21 3kf8 s GLN 31 Ca 0.27 -0.59 -0.29 0.00 0.05 0.00 0.00 55.36 54.81 3kf8 s GLN 31 Cb 0.00 -2.67 0.00 0.00 1.10 0.00 0.00 33.01 31.45 3kf8 s GLN 31 CO 0.14 0.45 1.05 0.08 -0.55 0.00 0.00 175.29 176.47 3kf8 s VAL 32 N -0.23 4.66 -0.13 1.34 1.01 -0.37 -1.34 120.40 125.35 3kf8 s VAL 32 Ca 0.03 1.98 0.14 0.00 0.00 0.00 0.00 61.98 64.13 3kf8 s VAL 32 Cb -0.13 -4.28 -0.24 0.00 0.00 0.00 0.00 36.38 31.73 3kf8 s VAL 32 CO 0.03 -0.13 0.34 0.29 0.00 0.00 0.00 175.10 175.63 3kf8 n LYS 33 N 5.99 0.66 -3.65 2.72 4.76 0.89 -0.31 118.16 129.23 3kf8 n LYS 33 Ca 0.11 0.15 -0.07 0.00 -2.87 0.00 0.00 58.31 55.63 3kf8 n LYS 33 Cb 0.47 -1.65 -0.02 0.00 -1.84 0.00 0.00 35.03 31.99 3kf8 n LYS 33 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 3kf8 s ASP 34 N -5.85 -0.32 -0.04 4.39 -1.08 -1.02 -4.75 116.67 108.00 3kf8 s ASP 34 Ca -0.09 -0.27 0.00 0.00 -0.52 0.00 0.00 52.55 51.67 3kf8 s ASP 34 Cb 0.07 0.54 0.03 0.00 -1.46 0.00 0.00 42.92 42.10 3kf8 s ASP 34 CO 0.82 -0.95 -0.01 0.12 0.52 0.00 0.00 175.17 175.67 3kf8 s PHE 35 N -3.48 0.46 -0.54 -5.34 5.36 -1.26 0.11 117.98 113.29 3kf8 s PHE 35 Ca 0.08 -0.06 -0.11 0.00 -0.96 0.00 0.00 56.93 55.88 3kf8 s PHE 35 Cb -0.02 -0.54 0.14 0.00 -0.34 0.00 0.00 43.02 42.25 3kf8 s PHE 35 CO -0.02 -0.18 0.44 0.42 -1.46 0.00 0.00 175.22 174.41 3kf8 s ILE 36 N 1.22 4.60 0.19 3.12 1.01 0.18 -4.98 121.20 126.54 3kf8 s ILE 36 Ca -0.07 -1.86 -0.12 0.00 0.00 0.00 0.00 60.65 58.60 3kf8 s ILE 36 Cb -0.13 -3.98 0.10 0.00 0.01 0.00 0.00 42.46 38.46 3kf8 s ILE 36 CO -0.02 -0.84 1.85 1.55 0.00 0.00 0.00 174.94 177.48 3kf8 h PRO 37 N 8.41 0.83 0.00 2.79 0.13 -1.96 -0.11 132.00 142.09 3kf8 h PRO 37 Ca -0.19 -0.06 0.00 0.00 -0.87 0.00 0.00 66.00 64.88 3kf8 h PRO 37 Cb 1.07 -0.18 0.00 0.00 0.13 0.00 0.00 31.00 32.02 3kf8 h PRO 37 CO 0.89 0.56 0.00 -2.39 -0.23 0.00 0.00 178.00 176.83 3kf8 n HIS 38 N -4.64 0.15 -0.21 1.56 1.44 -1.26 -2.22 115.22 110.04 3kf8 n HIS 38 Ca 0.05 0.07 0.00 0.00 -2.01 0.00 0.00 57.72 55.82 3kf8 n HIS 38 Cb 0.03 -0.61 0.00 0.00 0.12 0.00 0.00 29.99 29.53 3kf8 n HIS 38 CO 0.00 0.00 0.00 0.39 -2.81 0.00 0.00 176.34 173.92 3kf8 n GLU 39 N -1.65 2.08 -4.10 -1.40 1.02 -1.01 -5.01 120.64 110.57 3kf8 n GLU 39 Ca 0.02 -1.21 -0.29 0.00 -0.02 0.00 0.00 57.16 55.66 3kf8 n GLU 39 Cb 0.12 -0.90 -0.04 0.00 -0.02 0.00 0.00 31.44 30.61 3kf8 n GLU 39 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 3kf8 n SER 40 N -0.36 -0.64 -4.14 1.62 7.64 -0.13 -4.80 113.62 112.81 3kf8 n SER 40 Ca 0.00 -1.07 -0.29 0.00 1.01 0.00 0.00 58.87 58.51 3kf8 n SER 40 Cb 0.28 -2.63 -0.17 0.00 -1.01 0.00 0.00 64.21 60.68 3kf8 n SER 40 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 3kf8 s THR 41 N -3.91 1.69 -0.13 0.44 2.01 -0.72 -0.82 115.64 114.20 3kf8 s THR 41 Ca 0.17 -0.80 -0.05 0.00 0.31 0.00 0.00 61.69 61.31 3kf8 s THR 41 Cb -0.09 -1.48 -0.04 0.00 0.01 0.00 0.00 72.50 70.90 3kf8 s THR 41 CO 0.92 0.48 0.06 0.27 -0.69 0.00 0.00 174.62 175.67 3kf8 s ILE 42 N 0.50 4.85 -0.27 1.82 -4.36 -0.36 0.51 121.20 123.88 3kf8 s ILE 42 Ca -0.17 -0.03 -0.11 0.00 -0.26 0.00 0.00 60.65 60.09 3kf8 s ILE 42 Cb -0.17 -3.11 -0.05 0.00 1.25 0.00 0.00 42.46 40.38 3kf8 s ILE 42 CO 0.06 0.56 0.17 -0.69 0.24 0.00 0.00 174.94 175.29 3kf8 s VAL 43 N -0.52 5.24 0.34 8.37 1.01 0.12 -1.48 120.40 133.47 3kf8 s VAL 43 Ca 0.10 0.14 0.09 0.00 0.00 0.00 0.00 61.98 62.32 3kf8 s VAL 43 Cb -0.12 -3.48 -0.07 0.00 0.00 0.00 0.00 36.38 32.72 3kf8 s VAL 43 CO 0.02 0.28 -0.08 0.27 0.00 0.00 0.00 175.10 175.59 3kf8 s ILE 44 N 1.59 2.13 0.30 2.22 -4.36 -0.53 -0.07 121.20 122.47 3kf8 s ILE 44 Ca 0.07 -2.17 -0.13 0.00 -0.26 0.00 0.00 60.65 58.16 3kf8 s ILE 44 Cb -0.15 -2.66 0.01 0.00 1.25 0.00 0.00 42.46 40.91 3kf8 s ILE 44 CO 0.09 -0.19 0.57 -0.62 0.24 0.00 0.00 174.94 175.03 3kf8 s ASP 45 N -3.59 0.10 0.59 4.36 2.15 -0.45 -1.88 116.67 117.95 3kf8 s ASP 45 Ca 0.32 -1.03 -0.20 0.00 0.43 0.00 0.00 52.55 52.08 3kf8 s ASP 45 Cb 0.03 0.67 -0.03 0.00 -0.30 0.00 0.00 42.92 43.29 3kf8 s ASP 45 CO 0.16 -1.30 1.29 2.29 -0.17 0.00 0.00 175.17 177.44 3kf8 n LYS 46 N -0.46 1.37 -1.94 4.34 2.85 -1.26 -0.07 118.16 122.98 3kf8 n LYS 46 Ca -0.03 0.52 -0.42 0.00 -1.05 0.00 0.00 58.31 57.33 3kf8 n LYS 46 Cb 0.61 -2.51 -0.03 0.00 -0.65 0.00 0.00 35.03 32.45 3kf8 n LYS 46 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 177.40 177.43 3kf8 s VAL 47 N -1.35 3.05 0.00 0.58 1.01 -1.26 -4.31 120.40 118.12 3kf8 s VAL 47 Ca 0.77 0.51 0.00 0.00 0.00 0.00 0.00 61.98 63.26 3kf8 s VAL 47 Cb -0.40 -3.33 0.00 0.00 0.00 0.00 0.00 36.38 32.65 3kf8 s VAL 47 CO 0.45 0.00 0.00 -2.65 0.00 0.00 0.00 175.10 172.90 3kf8 n PRO 48 N 5.51 0.00 0.00 2.72 -0.02 -1.26 -3.02 135.00 138.93 3kf8 n PRO 48 Ca 0.16 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.64 3kf8 n PRO 48 Cb 0.41 -0.11 0.00 0.00 -0.02 0.00 0.00 33.50 33.77 3kf8 n PRO 48 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 3kf8 n THR 49 N 0.00 0.19 0.06 3.45 -2.24 -1.26 -3.56 114.28 110.92 3kf8 n THR 49 Ca 0.00 0.19 -0.13 0.00 -2.27 0.00 0.00 64.05 61.84 3kf8 n THR 49 Cb 0.00 -1.19 -0.08 0.00 -2.10 0.00 0.00 70.33 66.96 3kf8 n THR 49 CO 0.00 0.00 0.00 0.40 -0.57 0.00 0.00 175.07 174.90 3kf8 h ILE 50 N 0.00 1.05 -4.09 2.28 2.04 -1.89 -3.48 117.51 113.42 3kf8 h ILE 50 Ca 0.00 -0.61 -0.14 0.00 1.00 0.00 0.00 64.86 65.11 3kf8 h ILE 50 Cb 0.28 1.44 -0.12 0.00 -0.74 0.00 0.00 36.82 37.68 3kf8 h ILE 50 CO 0.00 0.15 -0.37 0.28 0.00 0.00 0.00 178.15 178.20 3kf8 s THR 51 N -5.02 0.02 -1.53 -0.27 -1.32 -1.23 -5.03 115.64 101.25 3kf8 s THR 51 Ca -0.15 -1.66 0.20 0.00 -1.21 0.00 0.00 61.69 58.88 3kf8 s THR 51 Cb 0.03 -2.24 -0.07 0.00 -1.51 0.00 0.00 72.50 68.71 3kf8 s THR 51 CO 0.63 -0.08 0.94 -1.54 -2.21 0.00 0.00 174.62 172.36 3kf8 n SER 52 N -0.29 1.57 -4.75 8.08 3.41 -1.26 -4.98 113.62 115.39 3kf8 n SER 52 Ca -0.01 -1.28 -0.41 0.00 -0.26 0.00 0.00 58.87 56.90 3kf8 n SER 52 Cb 0.64 0.64 0.01 0.00 -0.26 0.00 0.00 64.21 65.24 3kf8 n SER 52 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 3kf8 n GLU 53 N -0.50 2.34 -1.69 4.33 2.13 -1.26 -4.92 120.64 121.07 3kf8 n GLU 53 Ca 0.07 0.83 -0.37 0.00 0.66 0.00 0.00 57.16 58.34 3kf8 n GLU 53 Cb 0.38 -2.57 0.06 0.00 0.27 0.00 0.00 31.44 29.58 3kf8 n GLU 53 CO 0.00 0.00 0.00 0.94 -0.41 0.00 0.00 177.13 177.66 3kf8 n GLN 54 N 0.14 1.08 -3.61 5.31 7.27 -1.26 -5.02 117.38 121.30 3kf8 n GLN 54 Ca 0.04 0.42 -0.13 0.00 0.07 0.00 0.00 57.00 57.40 3kf8 n GLN 54 Cb 0.40 -2.40 -0.05 0.00 2.41 0.00 0.00 30.24 30.59 3kf8 n GLN 54 CO 0.00 0.00 0.00 0.45 0.07 0.00 0.00 177.06 177.58 3kf8 s SER 55 N -1.29 -0.36 0.01 1.69 0.15 -1.26 -5.02 113.70 107.62 3kf8 s SER 55 Ca 0.79 0.04 0.02 0.00 0.70 0.00 0.00 55.95 57.51 3kf8 s SER 55 Cb -0.40 0.47 -0.01 0.00 -1.71 0.00 0.00 66.02 64.37 3kf8 s SER 55 CO 0.44 -0.73 -0.08 -0.89 1.20 0.00 0.00 173.24 173.18 3kf8 s THR 56 N -2.68 0.61 0.52 6.45 2.01 -1.26 -5.07 115.64 116.22 3kf8 s THR 56 Ca -0.04 -0.49 -0.22 0.00 0.31 0.00 0.00 61.69 61.25 3kf8 s THR 56 Cb -0.00 -0.54 -0.06 0.00 0.01 0.00 0.00 72.50 71.91 3kf8 s THR 56 CO -0.04 0.06 1.35 -0.31 -0.69 0.00 0.00 174.62 174.99 3kf8 s TYR 57 N -0.42 2.37 0.09 4.92 2.02 -1.26 -4.09 117.35 120.97 3kf8 s TYR 57 Ca 0.01 1.37 0.06 0.00 -0.37 0.00 0.00 57.07 58.14 3kf8 s TYR 57 Cb -0.04 -3.78 -0.03 0.00 -0.40 0.00 0.00 41.96 37.71 3kf8 s TYR 57 CO -0.00 -2.77 -0.16 0.96 -1.57 0.00 0.00 175.55 172.01 3kf8 s ILE 58 N -1.31 1.30 -0.25 2.71 -4.36 -0.79 -4.96 121.20 113.53 3kf8 s ILE 58 Ca 0.69 -1.43 -0.05 0.00 -0.26 0.00 0.00 60.65 59.61 3kf8 s ILE 58 Cb -0.40 -1.26 0.00 0.00 1.25 0.00 0.00 42.46 42.05 3kf8 s ILE 58 CO 0.48 -0.21 0.00 0.20 0.24 0.00 0.00 174.94 175.65 3kf8 s ASN 59 N -1.89 4.66 -0.21 4.36 0.01 -1.26 -1.45 114.94 119.15 3kf8 s ASN 59 Ca 0.02 -0.60 -0.05 0.00 -0.71 0.00 0.00 52.86 51.52 3kf8 s ASN 59 Cb -0.09 -1.78 -0.02 0.00 0.41 0.00 0.00 41.25 39.76 3kf8 s ASN 59 CO 0.03 -0.11 0.00 -0.63 -1.51 0.00 0.00 177.10 174.88 3kf8 s ILE 60 N 1.46 3.92 -0.36 0.60 1.01 -0.55 -4.94 121.20 122.34 3kf8 s ILE 60 Ca 0.03 -0.32 -0.25 0.00 0.00 0.00 0.00 60.65 60.11 3kf8 s ILE 60 Cb -0.16 -2.78 0.01 0.00 0.01 0.00 0.00 42.46 39.55 3kf8 s ILE 60 CO -0.01 0.42 0.90 0.00 0.00 0.00 0.00 174.94 176.25 3kf8 n ILE 62 N 5.91 2.81 -0.33 0.00 -6.64 -0.00 -4.73 119.36 116.37 3kf8 n ILE 62 Ca 0.06 -2.39 0.18 0.00 -1.77 0.00 0.00 62.75 58.83 3kf8 n ILE 62 Cb 0.48 -0.38 0.42 0.00 -1.44 0.00 0.00 39.64 38.72 3kf8 n ILE 62 CO 0.00 0.00 0.00 0.15 -1.77 0.00 0.00 176.55 174.93 3kf8 h PHE 63 N 1.07 0.87 -0.24 4.28 3.57 -1.88 0.82 116.94 125.44 3kf8 h PHE 63 Ca 0.38 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.91 3kf8 h PHE 63 Cb 2.14 -0.26 0.00 0.00 2.79 0.00 0.00 35.95 40.63 3kf8 h PHE 63 CO 1.25 0.12 0.00 0.09 -2.23 0.00 0.00 178.31 177.54 3kf8 n ASN 64 N -4.73 1.80 0.00 0.41 3.02 -1.26 -3.72 115.26 110.79 3kf8 n ASN 64 Ca 0.25 -2.11 0.00 0.00 -0.03 0.00 0.00 54.58 52.69 3kf8 n ASN 64 Cb 0.74 -0.31 0.00 0.00 -0.61 0.00 0.00 39.78 39.60 3kf8 n ASN 64 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3kf8 n LEU 65 N 0.24 0.00 -0.30 3.41 4.77 0.27 -4.84 117.00 120.54 3kf8 n LEU 65 Ca 0.09 -0.14 -0.03 0.00 -0.03 0.00 0.00 56.01 55.90 3kf8 n LEU 65 Cb 0.34 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.45 3kf8 n LEU 65 CO 0.08 0.00 0.60 -0.07 -1.33 0.00 0.00 177.39 176.67 3kf8 h LEU 66 N 0.00 -1.33 -0.21 2.23 3.38 -1.60 0.60 115.31 118.38 3kf8 h LEU 66 Ca 0.00 0.27 0.04 0.00 0.09 0.00 0.00 57.88 58.29 3kf8 h LEU 66 Cb 0.00 0.68 -0.04 0.00 0.09 0.00 0.00 40.66 41.39 3kf8 h LEU 66 CO 0.00 -0.30 -0.06 -0.08 0.09 0.00 0.00 178.44 178.09 3kf8 h GLU 67 N -0.08 -0.01 0.00 1.13 4.81 -1.88 -2.78 114.58 115.77 3kf8 h GLU 67 Ca 0.29 0.00 -0.18 0.00 -0.13 0.00 0.00 59.36 59.35 3kf8 h GLU 67 Cb 0.57 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.93 3kf8 h GLU 67 CO -0.85 -0.01 -0.83 0.00 -0.73 0.00 0.00 179.01 176.59 3kf8 h ALA 68 N 1.19 0.63 -3.01 2.92 0.00 -1.76 -3.46 119.26 115.77 3kf8 h ALA 68 Ca 0.11 -0.74 -0.55 0.00 0.00 0.00 0.00 54.91 53.72 3kf8 h ALA 68 Cb 0.18 -0.12 0.14 0.00 0.00 0.00 0.00 17.79 17.98 3kf8 h ALA 68 CO -0.23 1.01 0.52 0.00 0.00 0.00 0.00 179.25 180.55 3kf8 s SER 70 N -1.36 6.99 0.41 0.00 0.15 -1.26 -4.92 113.70 113.70 3kf8 s SER 70 Ca 0.79 1.33 0.09 0.00 0.70 0.00 0.00 55.95 58.86 3kf8 s SER 70 Cb -0.36 -2.39 0.90 0.00 -1.71 0.00 0.00 66.02 62.46 3kf8 s SER 70 CO 0.39 0.04 2.02 0.28 1.20 0.00 0.00 173.24 177.17 3kf8 h SER 71 N 3.39 0.46 -0.52 5.45 0.02 -1.95 -2.81 113.55 117.59 3kf8 h SER 71 Ca -0.48 -0.00 0.12 0.00 -0.84 0.00 0.00 61.79 60.59 3kf8 h SER 71 Cb 1.19 -0.10 -0.03 0.00 0.14 0.00 0.00 62.40 63.60 3kf8 h SER 71 CO 0.65 0.31 0.36 -0.09 -1.14 0.00 0.00 176.83 176.93 3kf8 h ARG 72 N 0.53 0.16 0.00 3.45 9.65 -1.98 -0.51 114.38 125.69 3kf8 h ARG 72 Ca 0.21 -0.01 0.00 0.00 -1.10 0.00 0.00 59.98 59.08 3kf8 h ARG 72 Cb 0.16 -0.04 0.00 0.00 -1.39 0.00 0.00 29.97 28.70 3kf8 h ARG 72 CO -0.05 0.11 0.00 1.55 2.80 0.00 0.00 179.97 184.37 3kf8 n VAL 73 N -4.43 0.31 0.63 0.20 3.14 -1.06 -2.22 118.33 114.89 3kf8 n VAL 73 Ca 0.09 0.08 0.07 0.00 -2.96 0.00 0.00 64.34 61.62 3kf8 n VAL 73 Cb 0.48 -0.78 0.03 0.00 -1.06 0.00 0.00 33.84 32.51 3kf8 n VAL 73 CO 0.00 0.00 0.00 0.18 -6.46 0.00 0.00 176.83 170.55 3kf8 n LEU 74 N -1.19 1.90 -4.65 6.55 4.77 -0.20 -4.95 117.00 119.23 3kf8 n LEU 74 Ca 0.10 -0.89 -0.42 0.00 -0.03 0.00 0.00 56.01 54.77 3kf8 n LEU 74 Cb 0.12 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.17 3kf8 n LEU 74 CO 0.13 0.35 0.72 -0.69 -1.33 0.00 0.00 177.39 176.57 3kf8 s VAL 75 N -1.47 4.80 0.24 4.08 1.01 -0.94 -4.62 120.40 123.49 3kf8 s VAL 75 Ca 0.15 1.69 -0.31 0.00 0.00 0.00 0.00 61.98 63.50 3kf8 s VAL 75 Cb 0.12 -4.17 -0.12 0.00 0.00 0.00 0.00 36.38 32.21 3kf8 s VAL 75 CO 0.27 -0.10 1.64 -0.81 0.00 0.00 0.00 175.10 176.10 3kf8 n PRO 76 N 6.07 2.64 0.00 2.72 -0.04 -1.26 -1.77 135.00 143.36 3kf8 n PRO 76 Ca 0.07 0.95 0.00 0.00 -0.04 0.00 0.00 63.50 64.48 3kf8 n PRO 76 Cb 0.47 -2.75 0.00 0.00 -0.04 0.00 0.00 33.50 31.18 3kf8 n PRO 76 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3kf8 n GLY 77 N 3.06 2.29 3.74 0.55 0.00 0.58 -4.99 105.19 110.42 3kf8 n GLY 77 Ca 0.13 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.74 3kf8 n GLY 77 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3kf8 s THR 78 N -2.14 3.25 -0.02 2.61 2.01 -0.73 -4.74 115.64 115.87 3kf8 s THR 78 Ca 0.00 1.06 -0.17 0.00 0.31 0.00 0.00 61.69 62.88 3kf8 s THR 78 Cb 0.00 -3.68 -0.05 0.00 0.01 0.00 0.00 72.50 68.78 3kf8 s THR 78 CO 0.00 0.17 0.49 -0.76 -0.69 0.00 0.00 174.62 173.83 3kf8 s LEU 79 N -0.37 4.42 0.14 4.42 1.43 -1.26 -1.23 118.68 126.23 3kf8 s LEU 79 Ca 0.55 1.00 0.01 0.00 -1.03 0.00 0.00 54.13 54.66 3kf8 s LEU 79 Cb -0.36 -2.73 -0.04 0.00 0.03 0.00 0.00 46.19 43.09 3kf8 s LEU 79 CO 0.39 0.19 0.00 0.68 0.23 0.00 0.00 176.35 177.84 3kf8 s VAL 80 N -0.44 0.52 -0.16 -1.59 -7.23 0.37 -1.24 120.40 110.63 3kf8 s VAL 80 Ca 0.26 -1.95 -0.01 0.00 -1.81 0.00 0.00 61.98 58.48 3kf8 s VAL 80 Cb -0.17 -1.99 -0.01 0.00 0.56 0.00 0.00 36.38 34.77 3kf8 s VAL 80 CO 0.14 -0.57 -0.13 0.21 -0.31 0.00 0.00 175.10 174.44 3kf8 s ASN 81 N -3.11 3.88 -0.18 4.85 3.84 -0.29 -1.51 114.94 122.42 3kf8 s ASN 81 Ca 0.21 -0.41 0.01 0.00 0.21 0.00 0.00 52.86 52.88 3kf8 s ASN 81 Cb 0.06 -1.61 0.03 0.00 -0.55 0.00 0.00 41.25 39.19 3kf8 s ASN 81 CO 0.01 0.10 -0.13 -0.63 -2.79 0.00 0.00 177.10 173.66 3kf8 s ILE 82 N 0.76 1.67 -0.20 -5.21 1.01 0.15 -2.26 121.20 117.12 3kf8 s ILE 82 Ca -0.05 -0.88 -0.15 0.00 0.00 0.00 0.00 60.65 59.57 3kf8 s ILE 82 Cb -0.15 -1.65 -0.04 0.00 0.01 0.00 0.00 42.46 40.62 3kf8 s ILE 82 CO 0.01 0.31 0.38 -1.81 0.00 0.00 0.00 174.94 173.82 3kf8 s ASP 83 N 1.41 6.43 0.26 3.58 1.01 -0.61 0.48 116.67 129.23 3kf8 s ASP 83 Ca 0.01 0.50 -0.17 0.00 0.71 0.00 0.00 52.55 53.61 3kf8 s ASP 83 Cb -0.15 -2.22 0.01 0.00 1.01 0.00 0.00 42.92 41.57 3kf8 s ASP 83 CO -0.09 -0.05 0.59 0.00 0.21 0.00 0.00 175.17 175.82 3kf8 s ALA 84 N 1.18 -0.69 -0.15 5.23 0.00 -0.74 -0.28 121.76 126.30 3kf8 s ALA 84 Ca 0.18 -0.61 -0.01 0.00 0.00 0.00 0.00 51.96 51.53 3kf8 s ALA 84 Cb -0.14 0.97 -0.01 0.00 0.00 0.00 0.00 23.12 23.93 3kf8 s ALA 84 CO 0.07 -0.93 -0.12 -0.06 0.00 0.00 0.00 175.76 174.72 3kf8 s PHE 85 N -3.97 2.83 -0.27 0.00 0.40 0.52 0.10 117.98 117.59 3kf8 s PHE 85 Ca 0.17 -0.77 -0.10 0.00 -0.60 0.00 0.00 56.93 55.63 3kf8 s PHE 85 Cb -0.03 -1.89 -0.04 0.00 0.51 0.00 0.00 43.02 41.57 3kf8 s PHE 85 CO 0.08 -0.32 0.15 -0.47 0.70 0.00 0.00 175.22 175.36 3kf8 s TYR 86 N 0.61 3.17 -1.54 0.36 5.04 -0.65 -0.39 117.35 123.94 3kf8 s TYR 86 Ca -0.07 -0.13 0.16 0.00 -2.44 0.00 0.00 57.07 54.60 3kf8 s TYR 86 Cb -0.15 -2.33 0.57 0.00 0.35 0.00 0.00 41.96 40.39 3kf8 s TYR 86 CO 0.03 -0.26 1.46 -0.40 -1.34 0.00 0.00 175.55 175.05 3kf8 n ASP 87 N 5.01 3.69 0.00 4.32 5.68 -1.05 -1.42 116.55 132.78 3kf8 n ASP 87 Ca -0.15 -2.22 0.00 0.00 -0.50 0.00 0.00 54.79 51.93 3kf8 n ASP 87 Cb 0.52 -0.47 0.00 0.00 -1.14 0.00 0.00 41.12 40.02 3kf8 n ASP 87 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3kf8 n GLY 88 N 1.19 0.59 0.77 6.12 0.00 -1.26 -2.35 105.19 110.25 3kf8 n GLY 88 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.23 3kf8 n GLY 88 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3kf8 n GLU 89 N -2.00 0.00 -4.54 1.61 2.13 -1.26 -4.96 120.64 111.63 3kf8 n GLU 89 Ca 0.00 0.00 -0.25 0.00 0.66 0.00 0.00 57.16 57.57 3kf8 n GLU 89 Cb 0.00 -0.23 -0.11 0.00 0.27 0.00 0.00 31.44 31.37 3kf8 n GLU 89 CO 0.00 0.00 0.00 -1.54 -0.41 0.00 0.00 177.13 175.18 3kf8 s SER 90 N -3.17 3.38 -0.17 4.31 1.04 -1.26 -5.14 113.70 112.69 3kf8 s SER 90 Ca 0.00 -1.30 -0.01 0.00 0.48 0.00 0.00 55.95 55.12 3kf8 s SER 90 Cb 0.00 -0.29 -0.01 0.00 0.10 0.00 0.00 66.02 65.82 3kf8 s SER 90 CO 0.00 -0.40 -0.10 -0.63 0.98 0.00 0.00 173.24 173.09 3kf8 s ILE 91 N -2.84 3.11 -0.47 -1.02 1.01 -1.26 -2.51 121.20 117.21 3kf8 s ILE 91 Ca 0.34 -0.62 -0.07 0.00 0.00 0.00 0.00 60.65 60.30 3kf8 s ILE 91 Cb 0.07 -2.35 0.12 0.00 0.01 0.00 0.00 42.46 40.31 3kf8 s ILE 91 CO 0.16 0.49 0.32 0.20 0.00 0.00 0.00 174.94 176.11 3kf8 s ASN 92 N 0.82 5.57 0.22 3.58 0.01 0.47 -4.76 114.94 120.86 3kf8 s ASN 92 Ca -0.03 -2.01 -0.30 0.00 -0.71 0.00 0.00 52.86 49.81 3kf8 s ASN 92 Cb -0.15 -1.95 -0.09 0.00 0.41 0.00 0.00 41.25 39.47 3kf8 s ASN 92 CO 0.01 -0.63 1.11 -2.16 -1.51 0.00 0.00 177.10 173.91 3kf8 s PRO 93 N 1.21 4.61 -0.00 -0.60 0.04 -1.26 -0.35 135.00 138.63 3kf8 s PRO 93 Ca 0.07 1.77 0.07 0.00 0.04 0.00 0.00 61.00 62.95 3kf8 s PRO 93 Cb -0.25 -3.23 -0.09 0.00 0.04 0.00 0.00 34.50 30.97 3kf8 s PRO 93 CO -0.02 0.12 0.23 1.33 0.04 0.00 0.00 177.00 178.71 3kf8 n VAL 94 N 1.85 0.00 -3.57 -0.36 0.24 0.61 -4.94 118.33 112.17 3kf8 n VAL 94 Ca 0.01 -0.27 -0.09 0.00 -2.04 0.00 0.00 64.34 61.95 3kf8 n VAL 94 Cb 0.45 0.75 -0.04 0.00 -1.47 0.00 0.00 33.84 33.54 3kf8 n VAL 94 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 3kf8 s ASP 95 N -2.06 -0.32 -0.27 -1.34 2.15 -1.14 -5.01 116.67 108.67 3kf8 s ASP 95 Ca 0.01 0.25 -0.23 0.00 0.43 0.00 0.00 52.55 53.01 3kf8 s ASP 95 Cb 0.05 0.28 0.07 0.00 -0.30 0.00 0.00 42.92 43.02 3kf8 s ASP 95 CO 0.28 -0.36 0.72 -0.51 -0.17 0.00 0.00 175.17 175.12 3kf8 s ILE 96 N -1.64 0.00 0.04 4.11 2.07 -1.26 -1.58 121.20 122.95 3kf8 s ILE 96 Ca 0.02 0.00 -0.24 0.00 -1.41 0.00 0.00 60.65 59.02 3kf8 s ILE 96 Cb -0.01 -1.00 0.06 0.00 0.13 0.00 0.00 42.46 41.64 3kf8 s ILE 96 CO -0.02 0.00 0.55 -0.72 -1.91 0.00 0.00 174.94 172.84 3kf8 s TYR 97 N 0.64 -0.47 0.44 3.50 -0.85 -0.96 -4.73 117.35 114.92 3kf8 s TYR 97 Ca -0.02 0.55 -0.24 0.00 -0.52 0.00 0.00 57.07 56.84 3kf8 s TYR 97 Cb -0.05 0.37 -0.08 0.00 0.38 0.00 0.00 41.96 42.58 3kf8 s TYR 97 CO -0.03 -0.66 1.19 -2.00 -1.52 0.00 0.00 175.55 172.52 3kf8 s GLU 98 N -2.40 3.86 0.06 -3.49 2.12 -1.26 -1.14 118.70 116.45 3kf8 s GLU 98 Ca -0.05 1.85 0.07 0.00 0.36 0.00 0.00 54.97 57.19 3kf8 s GLU 98 Cb -0.01 -2.53 -0.03 0.00 0.26 0.00 0.00 34.13 31.83 3kf8 s GLU 98 CO -0.01 -0.49 -0.18 0.14 -0.54 0.00 0.00 175.26 174.18 3kf8 s VAL 99 N -1.46 1.45 0.29 3.70 -7.23 -0.37 -4.84 120.40 111.93 3kf8 s VAL 99 Ca 0.61 -1.22 -0.29 0.00 -1.81 0.00 0.00 61.98 59.26 3kf8 s VAL 99 Cb -0.31 -1.30 -0.10 0.00 0.56 0.00 0.00 36.38 35.24 3kf8 s VAL 99 CO 0.38 0.04 1.21 0.21 -0.31 0.00 0.00 175.10 176.64 3kf8 s ASN 100 N -1.38 7.01 0.52 4.85 3.84 -1.26 -4.42 114.94 124.10 3kf8 s ASN 100 Ca 0.04 2.46 0.30 0.00 0.21 0.00 0.00 52.86 55.87 3kf8 s ASN 100 Cb -0.09 -2.63 1.40 0.00 -0.55 0.00 0.00 41.25 39.38 3kf8 s ASN 100 CO 0.02 -0.36 2.02 1.23 -2.79 0.00 0.00 177.10 177.22 3kf8 h GLY 101 N 3.88 0.00 2.00 1.21 0.00 -2.00 -2.79 103.07 105.37 3kf8 h GLY 101 Ca -0.47 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.86 3kf8 h GLY 101 CO 0.68 0.00 0.00 0.00 0.00 0.00 0.00 176.54 177.22 3kf8 n ALA 102 N -2.19 1.42 0.35 3.60 0.00 -1.26 -2.25 120.51 120.18 3kf8 n ALA 102 Ca -0.01 -0.02 0.13 0.00 0.00 0.00 0.00 53.44 53.55 3kf8 n ALA 102 Cb 0.29 -1.16 0.39 0.00 0.00 0.00 0.00 19.45 18.96 3kf8 n ALA 102 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 3kf8 h ASN 103 N 0.00 0.00 -1.85 0.00 2.35 -1.90 -3.38 115.58 110.80 3kf8 h ASN 103 Ca 0.00 0.00 -0.77 0.00 -0.55 0.00 0.00 56.30 54.98 3kf8 h ASN 103 Cb 0.16 0.00 -0.19 0.00 0.05 0.00 0.00 38.32 38.34 3kf8 h ASN 103 CO 0.00 0.00 1.65 0.49 -1.65 0.00 0.00 177.43 177.92 3kf8 n PHE 104 N -2.79 2.67 -3.67 1.19 3.01 -0.95 -4.74 117.46 112.17 3kf8 n PHE 104 Ca 0.03 -2.71 -0.21 0.00 1.01 0.00 0.00 57.45 55.58 3kf8 n PHE 104 Cb 0.42 -1.70 -0.01 0.00 -0.01 0.00 0.00 39.48 38.18 3kf8 n PHE 104 CO 0.00 0.00 0.00 0.95 1.01 0.00 0.00 176.76 178.72 3kf8 s THR 105 N -0.89 4.72 0.24 4.37 -4.23 -1.26 -4.92 115.64 113.67 3kf8 s THR 105 Ca 0.38 -0.92 -0.06 0.00 -1.18 0.00 0.00 61.69 59.91 3kf8 s THR 105 Cb 0.09 -3.67 0.20 0.00 1.34 0.00 0.00 72.50 70.47 3kf8 s THR 105 CO 0.02 -0.28 1.85 -0.03 -0.54 0.00 0.00 174.62 175.64 3kf8 h MET 106 N 0.98 0.94 -0.21 3.99 4.05 -1.97 -2.06 114.93 120.65 3kf8 h MET 106 Ca -0.49 -0.06 0.03 0.00 -0.28 0.00 0.00 59.70 58.90 3kf8 h MET 106 Cb 1.24 -0.21 -0.03 0.00 -0.80 0.00 0.00 31.60 31.80 3kf8 h MET 106 CO 0.58 0.62 0.05 0.93 0.23 0.00 0.00 176.91 179.32 3kf8 h GLU 107 N 0.97 0.13 -0.25 0.39 3.07 -1.96 -1.70 114.58 115.22 3kf8 h GLU 107 Ca 0.36 -0.01 -0.10 0.00 -0.50 0.00 0.00 59.36 59.11 3kf8 h GLU 107 Cb 0.13 -0.03 -0.01 0.00 -0.84 0.00 0.00 28.75 28.00 3kf8 h GLU 107 CO -0.16 0.09 -0.29 -0.91 -1.40 0.00 0.00 179.01 176.34 3kf8 h ASN 108 N 0.14 0.51 -0.61 1.42 2.35 -1.77 -1.14 115.58 116.47 3kf8 h ASN 108 Ca 0.09 -0.18 -0.05 0.00 -0.55 0.00 0.00 56.30 55.61 3kf8 h ASN 108 Cb 0.08 -0.14 -0.03 0.00 0.05 0.00 0.00 38.32 38.29 3kf8 h ASN 108 CO -0.12 0.78 0.19 0.40 -1.65 0.00 0.00 177.43 177.02 3kf8 h ILE 109 N 0.43 1.25 -0.11 2.81 1.08 -1.13 -0.05 117.51 121.78 3kf8 h ILE 109 Ca 0.06 -0.84 -0.12 0.00 -0.39 0.00 0.00 64.86 63.56 3kf8 h ILE 109 Cb 0.73 0.63 -0.01 0.00 -3.07 0.00 0.00 36.82 35.10 3kf8 h ILE 109 CO 0.06 0.32 -0.48 1.56 -0.69 0.00 0.00 178.15 178.92 3kf8 h GLN 110 N 0.88 0.29 -0.80 2.37 4.20 -1.11 -2.38 115.11 118.55 3kf8 h GLN 110 Ca 0.20 -0.16 -0.04 0.00 0.06 0.00 0.00 58.65 58.71 3kf8 h GLN 110 Cb 0.30 0.01 -0.04 0.00 0.30 0.00 0.00 27.48 28.05 3kf8 h GLN 110 CO -0.01 0.71 0.35 1.25 -0.67 0.00 0.00 178.83 180.47 3kf8 h LEU 111 N 0.23 1.08 -0.84 1.46 6.46 -0.58 -2.23 115.31 120.89 3kf8 h LEU 111 Ca 0.01 -0.15 -0.07 0.00 -0.12 0.00 0.00 57.88 57.55 3kf8 h LEU 111 Cb 0.93 -0.28 -0.03 0.00 -0.73 0.00 0.00 40.66 40.56 3kf8 h LEU 111 CO 0.08 0.94 0.10 0.40 -0.62 0.00 0.00 178.44 179.33 3kf8 h ILE 112 N 1.15 1.25 -0.03 4.05 2.04 -0.72 -2.22 117.51 123.03 3kf8 h ILE 112 Ca 0.27 -0.97 0.01 0.00 1.00 0.00 0.00 64.86 65.17 3kf8 h ILE 112 Cb 0.17 0.68 -0.01 0.00 -0.74 0.00 0.00 36.82 36.93 3kf8 h ILE 112 CO -0.03 0.36 -0.01 -0.78 0.00 0.00 0.00 178.15 177.69 3kf8 h ASP 113 N 0.91 -0.03 -0.09 1.72 1.82 -0.91 -2.83 116.42 117.02 3kf8 h ASP 113 Ca 0.19 0.01 0.02 0.00 -0.39 0.00 0.00 57.03 56.86 3kf8 h ASP 113 Cb 0.40 0.02 -0.03 0.00 0.68 0.00 0.00 39.33 40.40 3kf8 h ASP 113 CO 0.01 -0.01 -0.06 -0.33 -1.61 0.00 0.00 179.24 177.23 3kf8 h GLU 114 N -0.00 -0.07 0.00 0.28 5.08 -1.26 -1.41 114.58 117.20 3kf8 h GLU 114 Ca 0.02 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 3kf8 h GLU 114 Cb 0.03 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.29 3kf8 h GLU 114 CO -0.03 -0.05 0.00 -1.33 -1.00 0.00 0.00 179.01 176.60 3kf8 n MET 115 N -5.19 0.06 -0.47 2.33 2.81 -0.85 -1.01 117.12 114.80 3kf8 n MET 115 Ca -0.04 0.22 0.09 0.00 -1.81 0.00 0.00 57.70 56.16 3kf8 n MET 115 Cb 0.12 -1.50 0.31 0.00 -0.71 0.00 0.00 33.22 31.44 3kf8 n MET 115 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 3kf8 n ASN 116 N -1.25 4.18 0.00 7.83 3.02 -0.53 -4.73 115.26 123.78 3kf8 n ASN 116 Ca 0.02 -2.32 0.00 0.00 -0.03 0.00 0.00 54.58 52.25 3kf8 n ASN 116 Cb 0.03 -0.49 0.00 0.00 -0.61 0.00 0.00 39.78 38.71 3kf8 n ASN 116 CO 0.00 0.00 0.00 -0.46 -2.62 0.00 0.00 177.26 174.18 3kf8 n ASN 117 N 0.99 0.00 -4.10 6.41 6.94 -0.36 -5.05 115.26 120.09 3kf8 n ASN 117 Ca 0.23 0.00 -0.44 0.00 -0.02 0.00 0.00 54.58 54.35 3kf8 n ASN 117 Cb 0.75 0.00 0.01 0.00 -2.36 0.00 0.00 39.78 38.17 3kf8 n ASN 117 CO 0.00 0.00 0.00 -1.54 -1.03 0.00 0.00 177.26 174.69 3kf8 n SER 118 N -0.66 5.94 -3.58 0.53 3.41 -0.18 -4.93 113.62 114.14 3kf8 n SER 118 Ca 0.00 -3.25 -0.09 0.00 -0.26 0.00 0.00 58.87 55.27 3kf8 n SER 118 Cb 0.00 -1.35 -0.10 0.00 -0.26 0.00 0.00 64.21 62.51 3kf8 n SER 118 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 3kf8 s ILE 119 N -1.68 -0.61 0.00 -1.33 -1.09 -1.26 -4.88 121.20 110.35 3kf8 s ILE 119 Ca 0.33 0.12 0.00 0.00 -2.23 0.00 0.00 60.65 58.87 3kf8 s ILE 119 Cb 0.01 -0.67 0.00 0.00 -1.58 0.00 0.00 42.46 40.22 3kf8 s ILE 119 CO 0.04 0.03 0.00 0.61 -1.23 0.00 0.00 174.94 174.39 3kf8 n GLY 120 N 5.38 1.61 2.38 6.18 0.00 -1.26 -4.99 105.19 114.49 3kf8 n GLY 120 Ca -0.07 -0.49 -0.16 0.00 0.00 0.00 0.00 46.02 45.30 3kf8 n GLY 120 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3kf8 n LYS 121 N 0.00 1.75 0.00 1.61 5.02 -1.26 -5.28 118.16 120.00 3kf8 n LYS 121 Ca 0.00 -1.07 0.00 0.00 -2.02 0.00 0.00 58.31 55.22 3kf8 n LYS 121 Cb 0.00 -2.14 0.00 0.00 -0.02 0.00 0.00 35.03 32.87 3kf8 n LYS 121 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22