#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kf8 s SER 2 N 0.00 2.60 0.08 -3.46 1.04 -1.25 -1.52 113.70 111.20 3kf8 s SER 2 Ca 0.00 -0.73 -0.14 0.00 0.48 0.00 0.00 55.95 55.56 3kf8 s SER 2 Cb 0.00 -0.15 0.02 0.00 0.10 0.00 0.00 66.02 65.99 3kf8 s SER 2 CO 0.00 0.04 0.32 -0.54 0.98 0.00 0.00 173.24 174.04 3kf8 s LYS 3 N -2.14 0.92 -0.27 4.02 1.02 -1.19 -4.99 119.74 117.10 3kf8 s LYS 3 Ca 0.09 -0.67 -0.12 0.00 0.02 0.00 0.00 55.97 55.29 3kf8 s LYS 3 Cb -0.09 0.39 -0.05 0.00 -0.52 0.00 0.00 37.83 37.57 3kf8 s LYS 3 CO 0.05 -0.32 0.24 0.42 -0.92 0.00 0.00 175.35 174.82 3kf8 s ILE 4 N -3.28 5.27 -0.17 2.17 1.01 -1.26 -1.43 121.20 123.51 3kf8 s ILE 4 Ca 0.00 0.29 -0.04 0.00 0.00 0.00 0.00 60.65 60.90 3kf8 s ILE 4 Cb 0.01 -3.58 -0.02 0.00 0.01 0.00 0.00 42.46 38.88 3kf8 s ILE 4 CO -0.08 0.23 -0.03 -0.63 0.00 0.00 0.00 174.94 174.43 3kf8 s ILE 5 N 1.80 3.86 -0.05 2.92 1.01 0.32 -4.94 121.20 126.12 3kf8 s ILE 5 Ca 0.09 -0.36 0.20 0.00 0.00 0.00 0.00 60.65 60.58 3kf8 s ILE 5 Cb -0.16 -2.71 -0.30 0.00 0.01 0.00 0.00 42.46 39.30 3kf8 s ILE 5 CO 0.10 0.47 0.39 0.18 0.00 0.00 0.00 174.94 176.08 3kf8 n LEU 6 N 3.85 0.00 -3.95 2.97 4.77 -1.26 -1.39 117.00 121.99 3kf8 n LEU 6 Ca -0.17 0.00 -0.30 0.00 -0.03 0.00 0.00 56.01 55.51 3kf8 n LEU 6 Cb 0.52 0.07 -0.13 0.00 -2.33 0.00 0.00 43.42 41.55 3kf8 n LEU 6 CO 0.32 0.07 -0.09 -0.63 -1.33 0.00 0.00 177.39 175.73 3kf8 s ILE 7 N -3.26 2.86 0.53 -0.08 1.01 -1.26 -4.16 121.20 116.84 3kf8 s ILE 7 Ca -0.08 -3.63 0.33 0.00 0.00 0.00 0.00 60.65 57.27 3kf8 s ILE 7 Cb 0.12 -2.92 0.51 0.00 0.01 0.00 0.00 42.46 40.18 3kf8 s ILE 7 CO 0.83 -0.88 1.84 1.55 0.00 0.00 0.00 174.94 178.28 3kf8 h PRO 8 N 6.16 0.02 0.00 2.79 0.13 -1.92 0.24 132.00 139.42 3kf8 h PRO 8 Ca 0.01 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.14 3kf8 h PRO 8 Cb 0.85 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.97 3kf8 h PRO 8 CO 0.71 0.02 0.00 -1.13 -0.23 0.00 0.00 178.00 177.36 3kf8 n SER 9 N -4.24 0.30 -1.32 1.44 3.41 -1.26 -2.26 113.62 109.68 3kf8 n SER 9 Ca 0.22 0.56 0.12 0.00 -0.26 0.00 0.00 58.87 59.51 3kf8 n SER 9 Cb 1.10 -0.63 0.30 0.00 -0.26 0.00 0.00 64.21 64.72 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 -1.81 3.86 -0.04 4.04 3.02 0.84 -4.64 115.26 120.53 3kf8 n ASN 10 Ca 0.04 -2.00 -0.08 0.00 -0.03 0.00 0.00 54.58 52.51 3kf8 n ASN 10 Cb 0.25 -0.43 -0.02 0.00 -0.61 0.00 0.00 39.78 38.97 3kf8 n ASN 10 CO 0.00 0.00 0.00 0.40 -2.62 0.00 0.00 177.26 175.04 3kf8 h ILE 11 N 4.41 0.71 0.00 2.41 2.04 -1.52 -1.25 117.51 124.31 3kf8 h ILE 11 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.86 3kf8 h ILE 11 Cb 1.00 0.71 0.00 0.00 -0.74 0.00 0.00 36.82 37.79 3kf8 h ILE 11 CO 0.00 0.00 0.00 -0.81 0.00 0.00 0.00 178.15 177.34 3kf8 n PRO 12 N -5.24 0.08 0.05 2.37 -0.04 -1.26 -2.13 135.00 128.83 3kf8 n PRO 12 Ca -0.02 0.41 -0.22 0.00 -0.04 0.00 0.00 63.50 63.63 3kf8 n PRO 12 Cb 0.17 -1.68 -0.15 0.00 -0.04 0.00 0.00 33.50 31.80 3kf8 n PRO 12 CO 0.00 0.00 0.00 0.37 -0.04 0.00 0.00 175.50 175.83 3kf8 h GLN 13 N 0.00 0.35 0.00 0.54 4.15 -1.59 -3.28 115.11 115.27 3kf8 h GLN 13 Ca 0.00 -0.59 0.00 0.00 0.77 0.00 0.00 58.65 58.83 3kf8 h GLN 13 Cb 0.20 0.22 0.00 0.00 0.21 0.00 0.00 27.48 28.11 3kf8 h GLN 13 CO 0.00 1.26 0.00 0.39 -1.93 0.00 0.00 178.83 178.55 3kf8 n GLU 14 N -3.54 0.09 -3.15 1.69 -0.58 -0.63 -3.99 120.64 110.53 3kf8 n GLU 14 Ca -0.26 0.13 -0.19 0.00 -0.42 0.00 0.00 57.16 56.42 3kf8 n GLU 14 Cb 1.07 -1.62 -0.03 0.00 -0.57 0.00 0.00 31.44 30.29 3kf8 n GLU 14 CO 0.00 0.00 0.00 1.19 -0.48 0.00 0.00 177.13 177.84 3kf8 n PHE 15 N -1.78 0.77 0.22 -0.32 3.01 -0.93 -4.95 117.46 113.49 3kf8 n PHE 15 Ca 0.06 -3.85 0.14 0.00 1.01 0.00 0.00 57.45 54.82 3kf8 n PHE 15 Cb 0.34 -0.43 0.77 0.00 -0.01 0.00 0.00 39.48 40.15 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 3.01 0.00 -0.03 -1.08 0.13 -1.69 -1.96 132.00 130.38 3kf8 h PRO 16 Ca 0.10 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.23 3kf8 h PRO 16 Cb 0.90 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.03 3kf8 h PRO 16 CO 0.55 0.00 -0.06 0.39 -0.23 0.00 0.00 178.00 178.65 3kf8 n GLU 17 N -2.52 2.07 -1.76 0.86 -0.58 -1.26 -4.98 120.64 112.48 3kf8 n GLU 17 Ca -0.02 -1.65 -0.41 0.00 -0.42 0.00 0.00 57.16 54.66 3kf8 n GLU 17 Cb 0.08 -1.47 0.00 0.00 -0.57 0.00 0.00 31.44 29.49 3kf8 n GLU 17 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3kf8 n ALA 18 N 0.98 2.06 -3.82 0.62 0.00 -0.74 -4.80 120.51 114.82 3kf8 n ALA 18 Ca 0.14 0.32 -0.05 0.00 0.00 0.00 0.00 53.44 53.85 3kf8 n ALA 18 Cb 0.54 -2.38 0.00 0.00 0.00 0.00 0.00 19.45 17.62 3kf8 n ALA 18 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3kf8 s SER 19 N -0.25 -0.11 0.48 0.00 1.04 -1.04 -4.06 113.70 109.77 3kf8 s SER 19 Ca 0.56 -0.65 0.32 0.00 0.48 0.00 0.00 55.95 56.66 3kf8 s SER 19 Cb -0.49 0.60 1.38 0.00 0.10 0.00 0.00 66.02 67.60 3kf8 s SER 19 CO 0.62 -1.14 1.95 0.16 0.98 0.00 0.00 173.24 175.80 3kf8 h ILE 20 N 2.00 0.00 0.00 -1.02 3.07 -1.93 -1.59 117.51 118.04 3kf8 h ILE 20 Ca -0.26 -0.37 -0.14 0.00 1.55 0.00 0.00 64.86 65.64 3kf8 h ILE 20 Cb 1.23 1.28 -0.02 0.00 -0.27 0.00 0.00 36.82 39.04 3kf8 h ILE 20 CO 0.31 0.00 -1.40 -1.20 -1.05 0.00 0.00 178.15 174.80 3kf8 n SER 21 N -2.84 0.79 -3.23 2.16 7.64 -1.26 -4.53 113.62 112.35 3kf8 n SER 21 Ca 0.01 0.34 -0.24 0.00 1.01 0.00 0.00 58.87 59.99 3kf8 n SER 21 Cb 0.25 0.31 -0.06 0.00 -1.01 0.00 0.00 64.21 63.70 3kf8 n SER 21 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 3kf8 n ASN 22 N -2.82 1.45 -4.77 6.43 4.05 -0.77 -5.11 115.26 113.72 3kf8 n ASN 22 Ca -0.09 -3.00 -0.39 0.00 0.45 0.00 0.00 54.58 51.55 3kf8 n ASN 22 Cb 0.79 -0.64 -0.01 0.00 1.23 0.00 0.00 39.78 41.15 3kf8 n ASN 22 CO 0.00 0.00 0.00 -2.16 -3.05 0.00 0.00 177.26 172.05 3kf8 s PRO 23 N -1.86 4.11 0.11 1.20 0.04 -0.67 -2.50 135.00 135.43 3kf8 s PRO 23 Ca 0.38 2.07 0.04 0.00 0.04 0.00 0.00 61.00 63.54 3kf8 s PRO 23 Cb 0.20 -2.83 -0.04 0.00 0.04 0.00 0.00 34.50 31.87 3kf8 s PRO 23 CO -0.08 -0.35 0.05 -1.21 0.04 0.00 0.00 177.00 175.45 3kf8 s GLU 24 N -2.11 2.72 0.14 4.56 0.41 -0.33 -4.80 118.70 119.29 3kf8 s GLU 24 Ca 0.54 -0.82 0.04 0.00 -0.41 0.00 0.00 54.97 54.33 3kf8 s GLU 24 Cb -0.36 -2.61 -0.04 0.00 -1.78 0.00 0.00 34.13 29.34 3kf8 s GLU 24 CO 0.47 0.53 0.16 1.03 -0.49 0.00 0.00 175.26 176.96 3kf8 s ARG 25 N -2.54 3.02 0.10 1.61 0.52 -0.57 0.52 118.95 121.60 3kf8 s ARG 25 Ca 0.28 -0.77 -0.26 0.00 -0.52 0.00 0.00 55.73 54.46 3kf8 s ARG 25 Cb -0.11 -2.74 0.08 0.00 0.52 0.00 0.00 34.95 32.70 3kf8 s ARG 25 CO 0.21 0.51 0.91 -0.48 0.02 0.00 0.00 175.30 176.46 3kf8 s LEU 26 N -2.99 -0.27 -0.08 2.53 2.34 0.37 -3.19 118.68 117.39 3kf8 s LEU 26 Ca 0.31 -0.24 0.02 0.00 0.06 0.00 0.00 54.13 54.29 3kf8 s LEU 26 Cb -0.11 2.15 0.01 0.00 -0.56 0.00 0.00 46.19 47.68 3kf8 s LEU 26 CO 0.24 -0.82 -0.15 -0.13 -1.06 0.00 0.00 176.35 174.43 3kf8 s ARG 27 N -3.27 2.12 -0.17 1.48 0.52 -0.51 -1.00 118.95 118.12 3kf8 s ARG 27 Ca 0.09 -0.55 -0.05 0.00 -0.52 0.00 0.00 55.73 54.70 3kf8 s ARG 27 Cb -0.01 -1.72 -0.03 0.00 0.52 0.00 0.00 34.95 33.71 3kf8 s ARG 27 CO -0.03 0.04 0.01 0.42 0.02 0.00 0.00 175.30 175.76 3kf8 s ILE 28 N 0.68 4.31 -0.33 1.52 1.01 0.87 0.12 121.20 129.38 3kf8 s ILE 28 Ca -0.13 -0.21 -0.01 0.00 0.00 0.00 0.00 60.65 60.29 3kf8 s ILE 28 Cb -0.16 -2.91 0.07 0.00 0.01 0.00 0.00 42.46 39.47 3kf8 s ILE 28 CO 0.04 0.48 0.06 -0.76 0.00 0.00 0.00 174.94 174.76 3kf8 s LEU 29 N 0.35 4.36 0.00 2.97 1.43 -0.48 -0.21 118.68 127.09 3kf8 s LEU 29 Ca -0.01 -1.58 -0.02 0.00 -1.03 0.00 0.00 54.13 51.49 3kf8 s LEU 29 Cb -0.13 -1.73 0.01 0.00 0.03 0.00 0.00 46.19 44.36 3kf8 s LEU 29 CO 0.02 -0.35 0.39 0.00 0.23 0.00 0.00 176.35 176.64 3kf8 n ALA 30 N 4.57 -0.37 -2.59 4.21 0.00 -0.97 -4.40 120.51 120.97 3kf8 n ALA 30 Ca -0.08 -1.19 -0.32 0.00 0.00 0.00 0.00 53.44 51.84 3kf8 n ALA 30 Cb 0.43 0.96 -0.14 0.00 0.00 0.00 0.00 19.45 20.70 3kf8 n ALA 30 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 3kf8 s GLN 31 N -2.54 2.61 0.11 0.00 0.74 -0.11 -0.91 119.66 119.57 3kf8 s GLN 31 Ca 0.21 -0.74 -0.30 0.00 0.05 0.00 0.00 55.36 54.58 3kf8 s GLN 31 Cb -0.01 -2.36 -0.06 0.00 1.10 0.00 0.00 33.01 31.67 3kf8 s GLN 31 CO 0.15 0.53 1.14 0.08 -0.55 0.00 0.00 175.29 176.64 3kf8 s VAL 32 N -0.48 3.99 -0.14 1.34 1.01 0.74 -1.90 120.40 124.96 3kf8 s VAL 32 Ca 0.06 1.55 0.12 0.00 0.00 0.00 0.00 61.98 63.71 3kf8 s VAL 32 Cb -0.12 -3.99 -0.17 0.00 0.00 0.00 0.00 36.38 32.10 3kf8 s VAL 32 CO 0.02 0.19 0.03 0.29 0.00 0.00 0.00 175.10 175.63 3kf8 n LYS 33 N 3.20 1.63 -3.59 2.72 4.76 0.26 0.35 118.16 127.49 3kf8 n LYS 33 Ca 0.06 0.00 -0.07 0.00 -2.87 0.00 0.00 58.31 55.43 3kf8 n LYS 33 Cb 0.46 -1.36 -0.04 0.00 -1.84 0.00 0.00 35.03 32.26 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 -4.79 -0.24 -0.11 4.39 2.15 -1.15 -4.65 116.67 112.28 3kf8 s ASP 34 Ca -0.08 0.17 0.03 0.00 0.43 0.00 0.00 52.55 53.10 3kf8 s ASP 34 Cb 0.04 0.22 0.01 0.00 -0.30 0.00 0.00 42.92 42.89 3kf8 s ASP 34 CO 0.56 -0.29 -0.19 0.12 -0.17 0.00 0.00 175.17 175.20 3kf8 s PHE 35 N -1.68 2.28 -0.76 -5.34 5.36 -1.26 -0.29 117.98 116.30 3kf8 s PHE 35 Ca 0.04 -1.05 -0.09 0.00 -0.96 0.00 0.00 56.93 54.87 3kf8 s PHE 35 Cb -0.01 -1.58 0.20 0.00 -0.34 0.00 0.00 43.02 41.29 3kf8 s PHE 35 CO -0.03 -0.49 0.65 0.42 -1.46 0.00 0.00 175.22 174.30 3kf8 s ILE 36 N 0.75 4.80 0.10 3.12 1.01 0.06 -4.99 121.20 126.04 3kf8 s ILE 36 Ca -0.10 -2.77 -0.20 0.00 0.00 0.00 0.00 60.65 57.58 3kf8 s ILE 36 Cb -0.16 -4.01 -0.04 0.00 0.01 0.00 0.00 42.46 38.25 3kf8 s ILE 36 CO 0.01 -0.98 1.05 -0.81 0.00 0.00 0.00 174.94 174.22 3kf8 n PRO 37 N 3.65 -0.28 0.14 2.79 -0.04 -1.26 -1.39 135.00 138.61 3kf8 n PRO 37 Ca 0.12 1.03 -0.14 0.00 -0.04 0.00 0.00 63.50 64.48 3kf8 n PRO 37 Cb 0.43 -1.52 -0.08 0.00 -0.04 0.00 0.00 33.50 32.28 3kf8 n PRO 37 CO 0.00 0.00 0.00 1.12 -0.04 0.00 0.00 175.50 176.58 3kf8 h HIS 38 N 0.00 -0.31 0.00 0.54 2.07 -1.96 -2.76 115.15 112.72 3kf8 h HIS 38 Ca 0.10 -0.01 0.00 0.00 -2.85 0.00 0.00 60.37 57.61 3kf8 h HIS 38 Cb 0.26 0.10 0.00 0.00 2.57 0.00 0.00 27.41 30.34 3kf8 h HIS 38 CO -0.72 -0.04 0.00 0.39 -3.07 0.00 0.00 177.93 174.48 3kf8 n GLU 39 N -5.14 0.04 -3.29 5.12 1.02 -1.00 -4.79 120.64 112.60 3kf8 n GLU 39 Ca -0.09 0.53 -0.24 0.00 -0.02 0.00 0.00 57.16 57.34 3kf8 n GLU 39 Cb 0.22 -1.64 0.03 0.00 -0.02 0.00 0.00 31.44 30.03 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 -1.73 -5.23 -4.47 1.62 7.64 -0.49 -4.81 113.62 106.16 3kf8 n SER 40 Ca -0.00 -0.40 -0.32 0.00 1.01 0.00 0.00 58.87 59.16 3kf8 n SER 40 Cb 0.02 -4.23 -0.13 0.00 -1.01 0.00 0.00 64.21 58.86 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 -3.13 2.93 0.14 0.44 2.01 -1.09 0.28 115.64 117.21 3kf8 s THR 41 Ca 0.41 -0.96 0.09 0.00 0.31 0.00 0.00 61.69 61.53 3kf8 s THR 41 Cb -0.19 -2.19 -0.04 0.00 0.01 0.00 0.00 72.50 70.08 3kf8 s THR 41 CO 0.50 0.46 -0.17 -0.51 -0.69 0.00 0.00 174.62 174.21 3kf8 s ILE 42 N -0.84 2.87 -0.10 1.82 2.07 0.27 -0.76 121.20 126.53 3kf8 s ILE 42 Ca 0.13 -1.58 0.03 0.00 -1.41 0.00 0.00 60.65 57.82 3kf8 s ILE 42 Cb -0.11 -2.34 -0.00 0.00 0.13 0.00 0.00 42.46 40.14 3kf8 s ILE 42 CO 0.03 0.04 -0.22 -0.69 -1.91 0.00 0.00 174.94 172.19 3kf8 s VAL 43 N -1.31 2.24 0.21 4.00 1.01 0.61 -0.39 120.40 126.77 3kf8 s VAL 43 Ca 0.20 -0.96 -0.00 0.00 0.00 0.00 0.00 61.98 61.22 3kf8 s VAL 43 Cb -0.10 -1.87 -0.04 0.00 0.00 0.00 0.00 36.38 34.37 3kf8 s VAL 43 CO 0.11 0.55 0.11 0.27 0.00 0.00 0.00 175.10 176.14 3kf8 s ILE 44 N 0.32 0.19 0.22 2.22 -4.36 -0.50 0.92 121.20 120.21 3kf8 s ILE 44 Ca -0.17 -1.99 -0.23 0.00 -0.26 0.00 0.00 60.65 58.00 3kf8 s ILE 44 Cb -0.17 -2.48 0.04 0.00 1.25 0.00 0.00 42.46 41.10 3kf8 s ILE 44 CO 0.08 -0.07 0.76 -0.62 0.24 0.00 0.00 174.94 175.33 3kf8 s ASP 45 N -3.19 -0.31 0.58 4.36 -1.08 -0.80 -1.20 116.67 115.03 3kf8 s ASP 45 Ca 0.37 -0.42 -0.18 0.00 -0.52 0.00 0.00 52.55 51.79 3kf8 s ASP 45 Cb 0.07 0.64 -0.08 0.00 -1.46 0.00 0.00 42.92 42.09 3kf8 s ASP 45 CO 0.11 -1.15 0.57 2.29 0.52 0.00 0.00 175.17 177.51 3kf8 n LYS 46 N -0.44 0.53 -2.03 4.34 2.85 -1.26 -0.93 118.16 121.23 3kf8 n LYS 46 Ca -0.07 0.21 -0.39 0.00 -1.05 0.00 0.00 58.31 57.02 3kf8 n LYS 46 Cb 0.61 -1.75 0.01 0.00 -0.65 0.00 0.00 35.03 33.24 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 -1.71 2.60 0.10 0.58 1.01 -1.26 -4.41 120.40 117.30 3kf8 s VAL 47 Ca 0.69 0.49 -0.31 0.00 0.00 0.00 0.00 61.98 62.85 3kf8 s VAL 47 Cb -0.44 -3.27 -0.13 0.00 0.00 0.00 0.00 36.38 32.54 3kf8 s VAL 47 CO 0.54 0.03 1.60 -0.65 0.00 0.00 0.00 175.10 176.62 3kf8 h PRO 48 N 2.19 -0.72 -0.90 2.72 0.11 -1.93 -2.78 132.00 130.69 3kf8 h PRO 48 Ca -0.50 0.05 0.22 0.00 0.11 0.00 0.00 66.00 65.88 3kf8 h PRO 48 Cb 1.26 0.16 -0.16 0.00 0.11 0.00 0.00 31.00 32.37 3kf8 h PRO 48 CO 0.61 -0.48 -0.03 1.15 -0.21 0.00 0.00 178.00 179.03 3kf8 h THR 49 N -0.74 0.15 -3.08 -1.15 2.02 -1.94 -3.40 112.91 104.76 3kf8 h THR 49 Ca -0.02 -0.02 -0.56 0.00 0.77 0.00 0.00 66.41 66.58 3kf8 h THR 49 Cb 0.68 0.10 0.19 0.00 -1.74 0.00 0.00 68.15 67.38 3kf8 h THR 49 CO -0.09 0.01 -0.51 -0.38 0.37 0.00 0.00 175.52 174.92 3kf8 n ILE 50 N -5.46 1.57 0.00 3.11 5.41 -1.05 -4.97 119.36 117.97 3kf8 n ILE 50 Ca 0.18 -0.41 0.00 0.00 1.00 0.00 0.00 62.75 63.52 3kf8 n ILE 50 Cb 0.60 -0.65 0.00 0.00 -0.71 0.00 0.00 39.64 38.87 3kf8 n ILE 50 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 176.55 176.90 3kf8 n THR 51 N -2.32 0.00 -4.12 1.39 -2.24 -1.26 -4.94 114.28 100.79 3kf8 n THR 51 Ca 0.09 0.00 -0.10 0.00 -2.27 0.00 0.00 64.05 61.77 3kf8 n THR 51 Cb 0.50 0.00 -0.10 0.00 -2.10 0.00 0.00 70.33 68.62 3kf8 n THR 51 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3kf8 s SER 52 N -2.06 0.91 0.26 3.42 1.04 -1.26 -4.98 113.70 111.03 3kf8 s SER 52 Ca 0.00 -0.87 0.00 0.00 0.48 0.00 0.00 55.95 55.56 3kf8 s SER 52 Cb 0.00 0.10 0.00 0.00 0.10 0.00 0.00 66.02 66.22 3kf8 s SER 52 CO 0.00 -0.42 0.00 -0.62 0.98 0.00 0.00 173.24 173.18 3kf8 n GLU 53 N 0.44 0.00 0.00 4.02 1.02 -1.26 -5.04 120.64 119.83 3kf8 n GLU 53 Ca -0.16 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 56.98 3kf8 n GLU 53 Cb 0.59 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 32.01 3kf8 n GLU 53 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3kf8 n GLN 54 N -3.10 0.00 -1.48 3.49 10.64 -1.26 -5.15 117.38 120.52 3kf8 n GLN 54 Ca 0.00 0.00 -0.45 0.00 -1.83 0.00 0.00 57.00 54.72 3kf8 n GLN 54 Cb 0.00 0.00 -0.01 0.00 -0.86 0.00 0.00 30.24 29.37 3kf8 n GLN 54 CO 0.00 0.00 0.00 0.43 -1.83 0.00 0.00 177.06 175.66 3kf8 n SER 55 N 0.00 -0.21 -3.77 2.61 7.64 -1.26 -4.98 113.62 113.66 3kf8 n SER 55 Ca 0.00 1.09 -0.28 0.00 1.01 0.00 0.00 58.87 60.69 3kf8 n SER 55 Cb 0.00 -1.12 -0.16 0.00 -1.01 0.00 0.00 64.21 61.92 3kf8 n SER 55 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 3kf8 s THR 56 N -1.15 0.69 -0.04 0.44 2.01 -1.26 -5.06 115.64 111.27 3kf8 s THR 56 Ca 0.61 -0.70 -0.09 0.00 0.31 0.00 0.00 61.69 61.82 3kf8 s THR 56 Cb -0.76 -1.18 -0.04 0.00 0.01 0.00 0.00 72.50 70.53 3kf8 s THR 56 CO 0.58 -0.22 0.27 -1.22 -0.69 0.00 0.00 174.62 173.34 3kf8 n TYR 57 N 4.98 0.22 -4.82 4.92 4.02 -1.26 -4.55 117.16 120.67 3kf8 n TYR 57 Ca -0.09 0.23 -0.33 0.00 -0.01 0.00 0.00 57.90 57.70 3kf8 n TYR 57 Cb 0.46 -0.45 -0.14 0.00 -0.02 0.00 0.00 39.34 39.19 3kf8 n TYR 57 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 176.86 176.27 3kf8 s ILE 58 N 0.23 3.10 -0.08 -0.72 1.09 -0.34 -4.95 121.20 119.52 3kf8 s ILE 58 Ca 0.20 -0.68 -0.10 0.00 -1.10 0.00 0.00 60.65 58.98 3kf8 s ILE 58 Cb -0.29 -2.26 -0.05 0.00 -1.06 0.00 0.00 42.46 38.81 3kf8 s ILE 58 CO 0.14 0.56 0.23 0.20 -0.10 0.00 0.00 174.94 175.97 3kf8 s ASN 59 N -0.24 6.52 -0.03 3.58 0.01 -1.26 -1.41 114.94 122.12 3kf8 s ASN 59 Ca 0.01 0.62 0.01 0.00 -0.71 0.00 0.00 52.86 52.79 3kf8 s ASN 59 Cb -0.13 -2.13 0.02 0.00 0.41 0.00 0.00 41.25 39.42 3kf8 s ASN 59 CO 0.03 0.37 -0.01 -0.63 -1.51 0.00 0.00 177.10 175.35 3kf8 s ILE 60 N -0.96 0.21 0.12 0.60 1.01 0.48 -4.93 121.20 117.73 3kf8 s ILE 60 Ca 0.18 0.05 -0.31 0.00 0.00 0.00 0.00 60.65 60.57 3kf8 s ILE 60 Cb -0.14 -0.29 -0.07 0.00 0.01 0.00 0.00 42.46 41.97 3kf8 s ILE 60 CO 0.07 0.15 1.28 0.00 0.00 0.00 0.00 174.94 176.44 3kf8 n ILE 62 N 3.56 1.13 -0.31 0.00 2.08 0.14 -4.61 119.36 121.35 3kf8 n ILE 62 Ca 0.09 -1.24 0.14 0.00 0.56 0.00 0.00 62.75 62.30 3kf8 n ILE 62 Cb 0.44 0.33 0.29 0.00 -0.75 0.00 0.00 39.64 39.95 3kf8 n ILE 62 CO 0.00 0.00 0.00 0.15 0.56 0.00 0.00 176.55 177.26 3kf8 h PHE 63 N 0.00 0.12 0.00 1.39 3.57 -1.88 0.89 116.94 121.03 3kf8 h PHE 63 Ca 0.00 0.06 -0.05 0.00 3.53 0.00 0.00 57.97 61.51 3kf8 h PHE 63 Cb 0.72 0.10 -0.01 0.00 2.79 0.00 0.00 35.95 39.55 3kf8 h PHE 63 CO 0.00 -0.34 -0.24 -2.95 -2.23 0.00 0.00 178.31 172.56 3kf8 h ASN 64 N 0.08 0.00 0.58 0.41 -1.07 -1.93 -3.18 115.58 110.48 3kf8 h ASN 64 Ca 0.57 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.94 3kf8 h ASN 64 Cb 1.17 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.42 3kf8 h ASN 64 CO -0.79 0.24 -0.72 0.18 0.07 0.00 0.00 177.43 176.40 3kf8 n LEU 65 N -3.52 0.62 -0.24 6.14 4.77 0.27 -4.51 117.00 120.53 3kf8 n LEU 65 Ca -0.01 0.05 -0.00 0.00 -0.03 0.00 0.00 56.01 56.03 3kf8 n LEU 65 Cb 0.39 -0.17 0.12 0.00 -2.33 0.00 0.00 43.42 41.43 3kf8 n LEU 65 CO 0.33 0.04 1.09 -0.07 -1.33 0.00 0.00 177.39 177.45 3kf8 h LEU 66 N 0.00 0.53 -0.67 2.23 3.38 -1.44 -0.78 115.31 118.56 3kf8 h LEU 66 Ca 0.00 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.01 3kf8 h LEU 66 Cb 0.65 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.35 3kf8 h LEU 66 CO 0.00 0.33 0.00 -0.62 0.09 0.00 0.00 178.44 178.24 3kf8 n GLU 67 N -4.81 0.12 0.00 1.13 1.02 -1.26 -3.05 120.64 113.80 3kf8 n GLU 67 Ca 0.10 0.45 0.00 0.00 -0.02 0.00 0.00 57.16 57.69 3kf8 n GLU 67 Cb 0.22 -1.78 0.00 0.00 -0.02 0.00 0.00 31.44 29.86 3kf8 n GLU 67 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3kf8 n ALA 68 N -1.69 1.30 -0.73 0.62 0.00 -1.10 -5.09 120.51 113.81 3kf8 n ALA 68 Ca 0.01 -0.22 -0.30 0.00 0.00 0.00 0.00 53.44 52.93 3kf8 n ALA 68 Cb 0.14 0.00 0.19 0.00 0.00 0.00 0.00 19.45 19.79 3kf8 n ALA 68 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3kf8 s SER 70 N -2.74 4.86 0.56 0.00 0.15 -1.26 -4.99 113.70 110.28 3kf8 s SER 70 Ca 0.67 -0.22 0.43 0.00 0.70 0.00 0.00 55.95 57.53 3kf8 s SER 70 Cb -0.23 -1.84 1.60 0.00 -1.71 0.00 0.00 66.02 63.85 3kf8 s SER 70 CO 0.60 0.04 1.67 0.77 1.20 0.00 0.00 173.24 177.52 3kf8 h SER 71 N 7.69 0.00 0.26 5.45 4.64 -1.97 0.48 113.55 130.10 3kf8 h SER 71 Ca -0.37 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 60.91 3kf8 h SER 71 Cb 1.18 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.26 3kf8 h SER 71 CO 0.60 0.00 -0.21 -0.09 -0.87 0.00 0.00 176.83 176.27 3kf8 h ARG 72 N 0.00 0.00 0.00 4.77 9.65 -1.96 -2.19 114.38 124.64 3kf8 h ARG 72 Ca 0.73 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 59.61 3kf8 h ARG 72 Cb 3.00 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 31.58 3kf8 h ARG 72 CO -0.01 0.21 0.00 0.28 2.80 0.00 0.00 179.97 183.25 3kf8 h VAL 73 N 0.00 0.00 -0.09 0.20 2.07 -0.44 -3.02 116.25 114.96 3kf8 h VAL 73 Ca -0.00 -0.66 0.00 0.00 0.82 0.00 0.00 66.70 66.85 3kf8 h VAL 73 Cb 0.39 1.63 0.00 0.00 -1.52 0.00 0.00 31.29 31.79 3kf8 h VAL 73 CO 0.03 0.00 0.00 0.18 0.02 0.00 0.00 177.57 177.80 3kf8 n LEU 74 N -2.86 2.42 -4.71 2.57 4.77 -0.83 -4.91 117.00 113.45 3kf8 n LEU 74 Ca 0.03 -0.87 -0.37 0.00 -0.03 0.00 0.00 56.01 54.77 3kf8 n LEU 74 Cb 0.40 -0.05 -0.07 0.00 -2.33 0.00 0.00 43.42 41.38 3kf8 n LEU 74 CO 0.29 0.43 0.06 -0.69 -1.33 0.00 0.00 177.39 176.16 3kf8 s VAL 75 N -1.91 5.25 0.38 4.08 1.01 -1.14 -4.32 120.40 123.75 3kf8 s VAL 75 Ca 0.33 0.70 -0.27 0.00 0.00 0.00 0.00 61.98 62.74 3kf8 s VAL 75 Cb 0.20 -3.70 -0.11 0.00 0.00 0.00 0.00 36.38 32.77 3kf8 s VAL 75 CO 0.31 0.34 1.32 -0.81 0.00 0.00 0.00 175.10 176.26 3kf8 n PRO 76 N 3.77 2.15 0.00 2.72 -0.04 -1.26 -2.22 135.00 140.13 3kf8 n PRO 76 Ca -0.10 0.76 0.00 0.00 -0.04 0.00 0.00 63.50 64.12 3kf8 n PRO 76 Cb 0.52 -2.41 0.00 0.00 -0.04 0.00 0.00 33.50 31.57 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 0.73 3.20 3.76 0.55 0.00 0.15 -4.98 105.19 108.61 3kf8 n GLY 77 Ca 0.05 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.66 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 -2.93 2.50 -0.20 2.61 2.01 -0.94 -4.67 115.64 114.02 3kf8 s THR 78 Ca 0.00 0.46 -0.13 0.00 0.31 0.00 0.00 61.69 62.33 3kf8 s THR 78 Cb 0.00 -3.30 -0.05 0.00 0.01 0.00 0.00 72.50 69.17 3kf8 s THR 78 CO 0.00 0.09 0.27 -0.76 -0.69 0.00 0.00 174.62 173.53 3kf8 s LEU 79 N -1.20 4.17 0.18 4.42 1.43 -1.26 -0.18 118.68 126.24 3kf8 s LEU 79 Ca 0.55 0.36 0.02 0.00 -1.03 0.00 0.00 54.13 54.03 3kf8 s LEU 79 Cb -0.43 -2.31 -0.05 0.00 0.03 0.00 0.00 46.19 43.44 3kf8 s LEU 79 CO 0.51 0.04 -0.01 0.68 0.23 0.00 0.00 176.35 177.80 3kf8 s VAL 80 N 0.92 0.77 -0.16 -1.59 -7.23 -0.08 -0.66 120.40 112.37 3kf8 s VAL 80 Ca 0.14 -1.99 -0.02 0.00 -1.81 0.00 0.00 61.98 58.29 3kf8 s VAL 80 Cb -0.13 -2.14 -0.02 0.00 0.56 0.00 0.00 36.38 34.64 3kf8 s VAL 80 CO 0.05 -0.47 -0.07 0.21 -0.31 0.00 0.00 175.10 174.51 3kf8 s ASN 81 N -3.20 4.44 -0.18 4.85 3.84 0.25 -2.30 114.94 122.64 3kf8 s ASN 81 Ca 0.24 -0.24 0.01 0.00 0.21 0.00 0.00 52.86 53.08 3kf8 s ASN 81 Cb 0.06 -1.71 0.02 0.00 -0.55 0.00 0.00 41.25 39.06 3kf8 s ASN 81 CO 0.05 0.14 -0.19 -0.63 -2.79 0.00 0.00 177.10 173.68 3kf8 s ILE 82 N 0.53 2.18 -0.03 -5.21 1.01 0.71 -2.27 121.20 118.11 3kf8 s ILE 82 Ca -0.05 -0.90 -0.16 0.00 0.00 0.00 0.00 60.65 59.53 3kf8 s ILE 82 Cb -0.15 -1.92 -0.05 0.00 0.01 0.00 0.00 42.46 40.35 3kf8 s ILE 82 CO 0.03 0.53 0.45 -1.81 0.00 0.00 0.00 174.94 174.14 3kf8 s ASP 83 N 1.27 6.79 0.28 3.58 1.01 -0.06 -0.09 116.67 129.45 3kf8 s ASP 83 Ca 0.04 0.94 -0.20 0.00 0.71 0.00 0.00 52.55 54.05 3kf8 s ASP 83 Cb -0.13 -2.28 0.06 0.00 1.01 0.00 0.00 42.92 41.58 3kf8 s ASP 83 CO -0.11 0.20 0.88 0.00 0.21 0.00 0.00 175.17 176.35 3kf8 s ALA 84 N -0.47 -1.19 0.04 5.23 0.00 -0.17 -0.20 121.76 124.99 3kf8 s ALA 84 Ca 0.25 -0.44 0.04 0.00 0.00 0.00 0.00 51.96 51.81 3kf8 s ALA 84 Cb -0.16 0.72 -0.02 0.00 0.00 0.00 0.00 23.12 23.65 3kf8 s ALA 84 CO 0.13 -1.03 -0.13 -0.59 0.00 0.00 0.00 175.76 174.14 3kf8 s PHE 85 N -2.63 1.13 -0.17 0.00 -0.12 -0.51 -0.48 117.98 115.19 3kf8 s PHE 85 Ca 0.16 -0.35 0.01 0.00 -0.05 0.00 0.00 56.93 56.70 3kf8 s PHE 85 Cb -0.04 -0.67 0.02 0.00 -0.63 0.00 0.00 43.02 41.70 3kf8 s PHE 85 CO 0.08 0.02 -0.17 -0.47 -0.05 0.00 0.00 175.22 174.63 3kf8 s TYR 86 N -0.85 2.56 -0.29 3.49 5.04 0.18 -0.96 117.35 126.53 3kf8 s TYR 86 Ca 0.01 -1.52 0.12 0.00 -2.44 0.00 0.00 57.07 53.23 3kf8 s TYR 86 Cb -0.08 -1.79 0.77 0.00 0.35 0.00 0.00 41.96 41.21 3kf8 s TYR 86 CO 0.01 -0.76 1.77 -0.40 -1.34 0.00 0.00 175.55 174.83 3kf8 n ASP 87 N 4.67 5.11 0.00 4.32 5.68 -1.17 -1.18 116.55 133.98 3kf8 n ASP 87 Ca -0.19 -3.13 0.00 0.00 -0.50 0.00 0.00 54.79 50.98 3kf8 n ASP 87 Cb 0.49 -0.72 0.00 0.00 -1.14 0.00 0.00 41.12 39.76 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 0.09 2.91 0.20 6.12 0.00 -1.26 -3.12 105.19 110.14 3kf8 n GLY 88 Ca 0.36 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.25 3kf8 n GLY 88 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3kf8 n GLU 89 N -2.00 0.37 -3.71 1.61 -0.58 -1.26 -4.98 120.64 110.08 3kf8 n GLU 89 Ca 0.00 0.11 -0.10 0.00 -0.42 0.00 0.00 57.16 56.75 3kf8 n GLU 89 Cb 0.00 -1.23 -0.05 0.00 -0.57 0.00 0.00 31.44 29.59 3kf8 n GLU 89 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 3kf8 s SER 90 N -5.77 -0.18 -0.07 1.62 0.15 -1.26 -5.14 113.70 103.05 3kf8 s SER 90 Ca -0.21 -0.45 -0.18 0.00 0.70 0.00 0.00 55.95 55.81 3kf8 s SER 90 Cb 0.06 0.49 -0.05 0.00 -1.71 0.00 0.00 66.02 64.81 3kf8 s SER 90 CO 0.33 -0.90 0.48 -0.63 1.20 0.00 0.00 173.24 173.73 3kf8 s ILE 91 N -3.84 5.09 -0.29 6.45 1.01 -1.26 -3.05 121.20 125.30 3kf8 s ILE 91 Ca 0.06 0.98 0.01 0.00 0.00 0.00 0.00 60.65 61.71 3kf8 s ILE 91 Cb 0.02 -3.82 0.08 0.00 0.01 0.00 0.00 42.46 38.75 3kf8 s ILE 91 CO -0.08 0.41 0.03 0.20 0.00 0.00 0.00 174.94 175.49 3kf8 s ASN 92 N 0.05 4.15 0.25 3.58 0.01 -0.13 -4.63 114.94 118.21 3kf8 s ASN 92 Ca 0.26 -1.59 -0.30 0.00 -0.71 0.00 0.00 52.86 50.52 3kf8 s ASN 92 Cb -0.16 -1.19 -0.09 0.00 0.41 0.00 0.00 41.25 40.21 3kf8 s ASN 92 CO 0.12 -0.33 1.02 -2.16 -1.51 0.00 0.00 177.10 174.24 3kf8 s PRO 93 N 1.33 4.74 0.00 -0.60 0.04 -1.26 -1.42 135.00 137.83 3kf8 s PRO 93 Ca 0.04 1.64 0.02 0.00 0.04 0.00 0.00 61.00 62.74 3kf8 s PRO 93 Cb -0.18 -3.24 -0.00 0.00 0.04 0.00 0.00 34.50 31.11 3kf8 s PRO 93 CO -0.13 0.35 0.33 1.33 0.04 0.00 0.00 177.00 178.92 3kf8 n VAL 94 N 1.47 0.00 -3.61 -0.36 0.24 0.72 -4.86 118.33 111.92 3kf8 n VAL 94 Ca -0.01 -0.47 -0.10 0.00 -2.04 0.00 0.00 64.34 61.72 3kf8 n VAL 94 Cb 0.46 1.03 -0.06 0.00 -1.47 0.00 0.00 33.84 33.79 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 -0.73 -0.44 -0.12 -1.34 2.15 -1.18 -4.98 116.67 110.03 3kf8 s ASP 95 Ca 0.02 0.73 -0.13 0.00 0.43 0.00 0.00 52.55 53.60 3kf8 s ASP 95 Cb 0.02 0.70 0.03 0.00 -0.30 0.00 0.00 42.92 43.38 3kf8 s ASP 95 CO 0.06 -0.23 0.36 -0.51 -0.17 0.00 0.00 175.17 174.69 3kf8 s ILE 96 N -0.23 0.01 0.08 4.11 2.07 -1.26 -0.88 121.20 125.11 3kf8 s ILE 96 Ca 0.01 -0.08 -0.26 0.00 -1.41 0.00 0.00 60.65 58.91 3kf8 s ILE 96 Cb -0.03 -0.54 0.08 0.00 0.13 0.00 0.00 42.46 42.10 3kf8 s ILE 96 CO -0.03 -0.05 0.75 -0.72 -1.91 0.00 0.00 174.94 172.98 3kf8 s TYR 97 N -0.09 -0.43 0.31 3.50 -0.85 -0.96 -4.83 117.35 114.00 3kf8 s TYR 97 Ca -0.03 0.24 -0.28 0.00 -0.52 0.00 0.00 57.07 56.49 3kf8 s TYR 97 Cb -0.03 0.56 -0.09 0.00 0.38 0.00 0.00 41.96 42.77 3kf8 s TYR 97 CO 0.01 -0.71 1.06 -2.00 -1.52 0.00 0.00 175.55 172.39 3kf8 s GLU 98 N -3.44 4.52 -0.02 -3.49 2.12 -1.26 -0.58 118.70 116.55 3kf8 s GLU 98 Ca 0.03 1.65 0.07 0.00 0.36 0.00 0.00 54.97 57.09 3kf8 s GLU 98 Cb -0.01 -2.98 -0.02 0.00 0.26 0.00 0.00 34.13 31.38 3kf8 s GLU 98 CO -0.10 0.14 -0.23 0.08 -0.54 0.00 0.00 175.26 174.61 3kf8 s VAL 99 N -1.34 1.85 0.10 3.70 1.01 0.17 -4.83 120.40 121.06 3kf8 s VAL 99 Ca 0.48 -1.01 -0.31 0.00 0.00 0.00 0.00 61.98 61.14 3kf8 s VAL 99 Cb -0.27 -1.54 -0.09 0.00 0.00 0.00 0.00 36.38 34.48 3kf8 s VAL 99 CO 0.35 0.51 1.58 0.21 0.00 0.00 0.00 175.10 177.75 3kf8 s ASN 100 N -0.58 6.64 0.00 3.32 3.04 -1.26 -4.68 114.94 121.42 3kf8 s ASN 100 Ca 0.09 2.48 0.06 0.00 0.04 0.00 0.00 52.86 55.53 3kf8 s ASN 100 Cb -0.09 -2.58 0.28 0.00 -1.54 0.00 0.00 41.25 37.33 3kf8 s ASN 100 CO -0.01 -0.83 1.14 0.61 -3.04 0.00 0.00 177.10 174.97 3kf8 n GLY 101 N 3.83 -0.63 0.26 1.21 0.00 -1.26 -2.69 105.19 105.91 3kf8 n GLY 101 Ca 0.14 -0.02 0.14 0.00 0.00 0.00 0.00 46.02 46.28 3kf8 n GLY 101 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kf8 h ALA 102 N 2.24 1.08 0.00 4.61 0.00 -2.05 -2.93 119.26 122.21 3kf8 h ALA 102 Ca 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.80 3kf8 h ALA 102 Cb 0.09 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.86 3kf8 h ALA 102 CO 0.00 0.15 0.00 -0.91 0.00 0.00 0.00 179.25 178.49 3kf8 h ASN 103 N 0.00 0.00 -0.59 0.00 2.35 -1.91 -3.35 115.58 112.08 3kf8 h ASN 103 Ca -0.00 0.00 -0.49 0.00 -0.55 0.00 0.00 56.30 55.26 3kf8 h ASN 103 Cb 0.52 0.00 -0.10 0.00 0.05 0.00 0.00 38.32 38.79 3kf8 h ASN 103 CO 0.02 0.00 1.22 0.49 -1.65 0.00 0.00 177.43 177.50 3kf8 n PHE 104 N -2.70 1.50 -2.09 1.19 3.01 -1.11 -4.76 117.46 112.50 3kf8 n PHE 104 Ca 0.02 -2.21 -0.30 0.00 1.01 0.00 0.00 57.45 55.97 3kf8 n PHE 104 Cb 0.31 -1.74 0.02 0.00 -0.01 0.00 0.00 39.48 38.05 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 -0.30 4.40 0.34 4.37 -4.23 -1.26 -4.82 115.64 114.14 3kf8 s THR 105 Ca 0.62 0.57 0.19 0.00 -1.18 0.00 0.00 61.69 61.89 3kf8 s THR 105 Cb 0.29 -3.75 0.18 0.00 1.34 0.00 0.00 72.50 70.56 3kf8 s THR 105 CO -0.10 -0.91 1.91 -0.03 -0.54 0.00 0.00 174.62 174.94 3kf8 h MET 106 N -0.26 0.00 0.46 3.99 4.05 -1.97 -2.46 114.93 118.73 3kf8 h MET 106 Ca -0.45 0.00 -0.02 0.00 -0.28 0.00 0.00 59.70 58.95 3kf8 h MET 106 Cb 1.21 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 32.02 3kf8 h MET 106 CO 0.62 0.26 -0.22 1.49 0.23 0.00 0.00 176.91 179.30 3kf8 h GLU 107 N 0.00 -0.59 -0.84 0.39 4.81 -1.96 -2.11 114.58 114.28 3kf8 h GLU 107 Ca -0.00 0.04 0.06 0.00 -0.13 0.00 0.00 59.36 59.33 3kf8 h GLU 107 Cb 0.57 0.13 -0.05 0.00 0.63 0.00 0.00 28.75 30.03 3kf8 h GLU 107 CO 0.03 -0.30 0.55 -0.91 -0.73 0.00 0.00 179.01 177.65 3kf8 h ASN 108 N -0.83 0.84 -0.64 1.04 2.35 -1.83 0.62 115.58 117.13 3kf8 h ASN 108 Ca -0.06 0.00 0.03 0.00 -0.55 0.00 0.00 56.30 55.72 3kf8 h ASN 108 Cb 0.56 -0.18 -0.04 0.00 0.05 0.00 0.00 38.32 38.71 3kf8 h ASN 108 CO 0.10 0.55 0.39 0.40 -1.65 0.00 0.00 177.43 177.22 3kf8 h ILE 109 N 0.96 1.06 -0.43 2.81 1.08 -1.32 0.75 117.51 122.42 3kf8 h ILE 109 Ca 0.36 -0.26 -0.12 0.00 -0.39 0.00 0.00 64.86 64.45 3kf8 h ILE 109 Cb 0.18 0.23 -0.01 0.00 -3.07 0.00 0.00 36.82 34.15 3kf8 h ILE 109 CO -0.12 0.14 -0.21 1.56 -0.69 0.00 0.00 178.15 178.82 3kf8 h GLN 110 N 0.76 0.86 -0.51 2.37 1.08 -0.53 -2.53 115.11 116.60 3kf8 h GLN 110 Ca 0.27 -0.35 0.01 0.00 -1.45 0.00 0.00 58.65 57.13 3kf8 h GLN 110 Cb 0.06 -0.04 -0.03 0.00 -0.05 0.00 0.00 27.48 27.42 3kf8 h GLN 110 CO -0.12 0.99 0.33 1.25 -0.95 0.00 0.00 178.83 180.33 3kf8 h LEU 111 N 0.74 0.56 0.17 1.46 5.85 0.07 0.14 115.31 124.30 3kf8 h LEU 111 Ca 0.10 -0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.81 3kf8 h LEU 111 Cb 0.75 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.64 3kf8 h LEU 111 CO 0.06 0.40 -0.14 0.40 -0.34 0.00 0.00 178.44 178.82 3kf8 h ILE 112 N 0.67 0.70 -0.49 4.05 2.04 -0.74 0.11 117.51 123.85 3kf8 h ILE 112 Ca 0.20 0.00 0.06 0.00 1.00 0.00 0.00 64.86 66.11 3kf8 h ILE 112 Cb -0.04 0.70 -0.05 0.00 -0.74 0.00 0.00 36.82 36.68 3kf8 h ILE 112 CO -0.06 0.00 0.19 -0.78 0.00 0.00 0.00 178.15 177.50 3kf8 h ASP 113 N -0.32 0.22 -0.44 1.72 1.82 -1.20 -0.01 116.42 118.21 3kf8 h ASP 113 Ca -0.01 0.05 -0.02 0.00 -0.39 0.00 0.00 57.03 56.67 3kf8 h ASP 113 Cb 0.29 0.02 -0.02 0.00 0.68 0.00 0.00 39.33 40.30 3kf8 h ASP 113 CO -0.01 0.16 0.21 -0.08 -1.61 0.00 0.00 179.24 177.90 3kf8 h GLU 114 N 0.38 0.65 -0.55 0.28 4.81 -0.60 -2.87 114.58 116.67 3kf8 h GLU 114 Ca 0.23 -0.10 -0.06 0.00 -0.13 0.00 0.00 59.36 59.30 3kf8 h GLU 114 Cb 0.21 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.46 3kf8 h GLU 114 CO -0.21 0.56 0.11 0.52 -0.73 0.00 0.00 179.01 179.26 3kf8 h MET 115 N 0.58 0.90 -0.02 1.92 2.86 -0.31 -2.39 114.93 118.47 3kf8 h MET 115 Ca 0.15 -0.23 0.01 0.00 -2.06 0.00 0.00 59.70 57.57 3kf8 h MET 115 Cb 0.13 -0.11 -0.00 0.00 0.06 0.00 0.00 31.60 31.68 3kf8 h MET 115 CO -0.02 0.86 0.04 -0.91 1.06 0.00 0.00 176.91 177.94 3kf8 h ASN 116 N 0.80 0.00 -0.39 1.22 2.35 -0.86 -2.53 115.58 116.16 3kf8 h ASN 116 Ca 0.17 0.00 -0.06 0.00 -0.55 0.00 0.00 56.30 55.87 3kf8 h ASN 116 Cb 0.38 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.71 3kf8 h ASN 116 CO 0.01 0.00 0.04 0.59 -1.65 0.00 0.00 177.43 176.41 3kf8 n ASN 117 N -3.50 4.16 0.00 5.81 3.02 -0.91 -4.80 115.26 119.05 3kf8 n ASN 117 Ca -0.02 -3.13 0.00 0.00 -0.03 0.00 0.00 54.58 51.40 3kf8 n ASN 117 Cb 0.12 -0.61 0.00 0.00 -0.61 0.00 0.00 39.78 38.68 3kf8 n ASN 117 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 3kf8 n SER 118 N -0.36 0.00 -4.64 6.41 3.41 -0.97 -5.06 113.62 112.41 3kf8 n SER 118 Ca 0.27 0.00 -0.47 0.00 -0.26 0.00 0.00 58.87 58.41 3kf8 n SER 118 Cb 1.04 0.11 -0.04 0.00 -0.26 0.00 0.00 64.21 65.06 3kf8 n SER 118 CO 0.00 0.00 0.00 -0.38 -0.16 0.00 0.00 175.04 174.50 3kf8 n ILE 119 N -1.92 0.65 -1.00 -1.33 2.08 -1.12 -2.13 119.36 114.59 3kf8 n ILE 119 Ca 0.00 -0.16 0.00 0.00 0.56 0.00 0.00 62.75 63.15 3kf8 n ILE 119 Cb 0.00 -1.26 0.00 0.00 -0.75 0.00 0.00 39.64 37.63 3kf8 n ILE 119 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 3kf8 n GLY 120 N 2.40 0.49 1.29 7.39 0.00 -1.26 -4.94 105.19 110.56 3kf8 n GLY 120 Ca 0.14 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.24 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 -2.84 3.68 -2.32 1.61 5.02 -0.91 -5.00 118.16 117.40 3kf8 n LYS 121 Ca 0.00 -2.98 -0.40 0.00 -2.02 0.00 0.00 58.31 52.92 3kf8 n LYS 121 Cb 0.02 -2.01 -0.03 0.00 -0.02 0.00 0.00 35.03 32.98 3kf8 n LYS 121 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 3kf8 s PHE 122 N -2.82 3.26 0.00 2.13 2.99 -1.26 -5.15 117.98 117.13 3kf8 s PHE 122 Ca 0.47 1.57 0.00 0.00 0.00 0.00 0.00 56.93 58.97 3kf8 s PHE 122 Cb 0.37 -3.43 0.00 0.00 0.00 0.00 0.00 43.02 39.97 3kf8 s PHE 122 CO 0.11 -1.16 0.00 -1.71 -0.00 0.00 0.00 175.22 172.46