#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kl8 n PHE 9 N 0.00 0.00 0.21 5.64 -0.00 -1.26 -3.83 117.46 118.21 3kl8 n PHE 9 Ca 0.00 0.00 0.06 0.00 -0.00 0.00 0.00 57.45 57.51 3kl8 n PHE 9 Cb 0.00 -0.52 0.11 0.00 -0.00 0.00 0.00 39.48 39.07 3kl8 n PHE 9 CO 0.00 0.00 0.00 0.77 -0.00 0.00 0.00 176.76 177.53 3kl8 h SER 10 N -0.94 0.00 0.89 -2.13 0.02 -2.03 0.20 113.55 109.55 3kl8 h SER 10 Ca -0.07 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 60.84 3kl8 h SER 10 Cb 1.01 0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.56 3kl8 h SER 10 CO -0.04 0.00 -0.43 0.44 -1.14 0.00 0.00 176.83 175.66 3kl8 h ASP 11 N 0.00 -1.01 0.00 3.07 5.19 -2.06 -3.41 116.42 118.20 3kl8 h ASP 11 Ca 0.11 0.03 -0.21 0.00 -0.62 0.00 0.00 57.03 56.35 3kl8 h ASP 11 Cb 2.19 0.26 -0.04 0.00 0.18 0.00 0.00 39.33 41.93 3kl8 h ASP 11 CO -0.00 -0.71 -1.78 0.59 -3.12 0.00 0.00 179.24 174.22 3kl8 n ASN 12 N -5.59 2.89 -4.81 6.45 4.13 0.60 -4.96 115.26 113.95 3kl8 n ASN 12 Ca -0.16 -0.07 -0.37 0.00 1.68 0.00 0.00 54.58 55.67 3kl8 n ASN 12 Cb 0.47 -0.15 -0.06 0.00 -1.54 0.00 0.00 39.78 38.50 3kl8 n ASN 12 CO 0.00 0.00 0.00 -0.31 0.28 0.00 0.00 177.26 177.23 3kl8 s TYR 13 N -2.27 3.71 -0.21 3.10 1.51 -0.65 -0.91 117.35 121.62 3kl8 s TYR 13 Ca -0.18 1.32 0.00 0.00 -1.01 0.00 0.00 57.07 57.21 3kl8 s TYR 13 Cb 0.05 -2.56 0.03 0.00 -0.11 0.00 0.00 41.96 39.37 3kl8 s TYR 13 CO 0.33 0.44 -0.14 0.34 -1.11 0.00 0.00 175.55 175.41 3kl8 s ASP 14 N -1.47 3.75 0.37 2.29 2.15 -0.87 -4.55 116.67 118.35 3kl8 s ASP 14 Ca 0.37 -0.81 -0.26 0.00 0.43 0.00 0.00 52.55 52.28 3kl8 s ASP 14 Cb -0.18 -1.56 -0.09 0.00 -0.30 0.00 0.00 42.92 40.79 3kl8 s ASP 14 CO 0.21 -0.07 1.17 -0.69 -0.17 0.00 0.00 175.17 175.62 3kl8 s VAL 15 N 1.28 3.19 0.00 1.11 1.01 -1.26 -2.12 120.40 123.61 3kl8 s VAL 15 Ca 0.02 1.05 0.00 0.00 0.00 0.00 0.00 61.98 63.04 3kl8 s VAL 15 Cb -0.15 -3.61 0.00 0.00 0.00 0.00 0.00 36.38 32.62 3kl8 s VAL 15 CO -0.09 0.14 0.00 0.29 0.00 0.00 0.00 175.10 175.44 3kl8 n LYS 16 N 0.35 3.02 -0.13 2.72 4.76 -1.06 -4.93 118.16 122.89 3kl8 n LYS 16 Ca 0.03 0.00 -0.04 0.00 -2.87 0.00 0.00 58.31 55.42 3kl8 n LYS 16 Cb 0.46 0.00 0.04 0.00 -1.84 0.00 0.00 35.03 33.69 3kl8 n LYS 16 CO 0.00 0.00 0.00 -0.85 -1.37 0.00 0.00 177.40 175.18 3kl8 n GLU 17 N 0.00 -1.55 -3.46 1.97 0.00 -1.26 -4.65 120.64 111.68 3kl8 n GLU 17 Ca 0.00 -0.25 -0.15 0.00 0.00 0.00 0.00 57.16 56.76 3kl8 n GLU 17 Cb 0.00 -0.25 -0.05 0.00 0.00 0.00 0.00 31.44 31.14 3kl8 n GLU 17 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.13 176.28 3kl8 n GLU 18 N -2.12 0.57 0.00 3.44 0.28 -1.26 -1.47 120.64 120.08 3kl8 n GLU 18 Ca 0.02 -2.13 0.00 0.00 -0.16 0.00 0.00 57.16 54.90 3kl8 n GLU 18 Cb 0.09 1.33 0.00 0.00 1.43 0.00 0.00 31.44 34.29 3kl8 n GLU 18 CO 0.00 0.00 0.00 1.47 -0.16 0.00 0.00 177.13 178.44 3kl8 n LEU 19 N 0.00 0.00 0.00 -1.84 -0.00 -1.05 -4.87 117.00 109.24 3kl8 n LEU 19 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.00 3kl8 n LEU 19 Cb 0.38 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.80 3kl8 n LEU 19 CO 0.20 0.00 0.00 -1.20 -0.00 0.00 0.00 177.39 176.39 3kl8 n SER 25 N 0.00 0.00 -4.86 1.45 7.64 -1.07 -4.89 113.62 111.90 3kl8 n SER 25 Ca 0.00 0.00 -0.31 0.00 1.01 0.00 0.00 58.87 59.57 3kl8 n SER 25 Cb 0.00 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.17 3kl8 n SER 25 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 3kl8 s VAL 26 N 0.00 4.64 0.23 0.44 0.11 -1.19 -4.84 120.40 119.79 3kl8 s VAL 26 Ca 0.00 0.96 0.06 0.00 -2.93 0.00 0.00 61.98 60.07 3kl8 s VAL 26 Cb 0.00 -3.73 -0.05 0.00 -1.53 0.00 0.00 36.38 31.07 3kl8 s VAL 26 CO 0.00 -0.64 -0.07 0.68 -3.33 0.00 0.00 175.10 171.74 3kl8 s VAL 27 N -2.55 1.42 -0.18 2.04 -7.23 -1.26 -0.17 120.40 112.47 3kl8 s VAL 27 Ca 0.56 -2.11 -0.32 0.00 -1.81 0.00 0.00 61.98 58.30 3kl8 s VAL 27 Cb -0.10 -2.26 0.14 0.00 0.56 0.00 0.00 36.38 34.72 3kl8 s VAL 27 CO 0.32 -0.43 1.15 0.00 -0.31 0.00 0.00 175.10 175.84 3kl8 s ARG 28 N -3.75 0.39 1.19 4.82 1.70 -1.01 -2.54 118.95 119.73 3kl8 s ARG 28 Ca 0.26 -0.05 -0.18 0.00 -0.47 0.00 0.00 55.73 55.29 3kl8 s ARG 28 Cb 0.03 0.18 0.28 0.00 -0.57 0.00 0.00 34.95 34.87 3kl8 s ARG 28 CO 0.08 -0.15 1.10 0.50 -1.08 0.00 0.00 175.30 175.75 3kl8 s ARG 29 N -1.91 -1.12 0.00 3.89 3.52 -0.54 -0.76 118.95 122.03 3kl8 s ARG 29 Ca 0.06 0.01 0.00 0.00 -0.13 0.00 0.00 55.73 55.67 3kl8 s ARG 29 Cb -0.01 -1.60 0.00 0.00 -1.56 0.00 0.00 34.95 31.78 3kl8 s ARG 29 CO -0.04 -3.66 0.00 0.00 -0.81 0.00 0.00 175.30 170.79 3kl8 s VAL 31 N -2.00 -0.05 0.45 0.00 1.01 -0.90 -0.21 120.40 118.70 3kl8 s VAL 31 Ca 0.00 0.17 -0.25 0.00 0.00 0.00 0.00 61.98 61.90 3kl8 s VAL 31 Cb 0.00 -0.07 -0.09 0.00 0.00 0.00 0.00 36.38 36.22 3kl8 s VAL 31 CO 0.00 0.07 1.35 1.57 0.00 0.00 0.00 175.10 178.09 3kl8 n HIS 32 N 3.96 2.40 -0.03 5.22 -0.00 -1.18 -2.04 115.22 123.56 3kl8 n HIS 32 Ca -0.25 0.46 -0.15 0.00 0.46 0.00 0.00 57.72 58.25 3kl8 n HIS 32 Cb 0.52 -2.41 -0.10 0.00 -0.12 0.00 0.00 29.99 27.88 3kl8 n HIS 32 CO 0.00 0.00 0.00 -0.22 0.46 0.00 0.00 176.34 176.58 3kl8 h LYS 33 N 2.12 0.24 0.00 1.57 1.63 -1.40 -2.12 116.57 118.61 3kl8 h LYS 33 Ca -0.49 -0.21 0.00 0.00 -0.85 0.00 0.00 60.65 59.09 3kl8 h LYS 33 Cb 1.28 0.05 0.00 0.00 -0.60 0.00 0.00 32.23 32.96 3kl8 h LYS 33 CO 0.60 0.88 0.00 2.41 -3.45 0.00 0.00 179.45 179.89 3kl8 n THR 34 N -4.49 0.00 0.72 1.00 -1.04 -1.26 -4.24 114.28 104.96 3kl8 n THR 34 Ca -0.09 1.13 0.13 0.00 -2.04 0.00 0.00 64.05 63.18 3kl8 n THR 34 Cb 0.48 -2.07 0.34 0.00 -1.82 0.00 0.00 70.33 67.26 3kl8 n THR 34 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 3kl8 n THR 35 N -1.67 0.34 -1.94 12.58 -2.24 -1.26 -4.94 114.28 115.14 3kl8 n THR 35 Ca 0.00 -0.20 -0.18 0.00 -2.27 0.00 0.00 64.05 61.40 3kl8 n THR 35 Cb 0.00 -0.31 -0.04 0.00 -2.10 0.00 0.00 70.33 67.88 3kl8 n THR 35 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3kl8 n GLY 36 N 1.38 0.70 3.66 3.38 0.00 -0.80 -4.96 105.19 108.55 3kl8 n GLY 36 Ca 0.05 -0.12 -0.41 0.00 0.00 0.00 0.00 46.02 45.53 3kl8 n GLY 36 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kl8 s LEU 37 N -4.74 4.14 0.35 0.99 1.43 -1.26 -4.69 118.68 114.90 3kl8 s LEU 37 Ca 0.00 1.08 -0.28 0.00 -1.03 0.00 0.00 54.13 53.90 3kl8 s LEU 37 Cb 0.00 -3.17 -0.12 0.00 0.03 0.00 0.00 46.19 42.93 3kl8 s LEU 37 CO 0.00 -0.42 1.26 -0.62 0.23 0.00 0.00 176.35 176.80 3kl8 n GLU 38 N 5.46 2.03 -4.02 1.70 1.02 -1.26 -3.09 120.64 122.48 3kl8 n GLU 38 Ca 0.04 0.71 -0.18 0.00 -0.02 0.00 0.00 57.16 57.71 3kl8 n GLU 38 Cb 0.48 -2.29 -0.07 0.00 -0.02 0.00 0.00 31.44 29.54 3kl8 n GLU 38 CO 0.00 0.00 0.00 1.19 1.18 0.00 0.00 177.13 179.50 3kl8 n PHE 39 N 0.25 -0.69 -4.23 -0.32 3.72 0.71 -4.59 117.46 112.31 3kl8 n PHE 39 Ca 0.05 -2.53 -0.30 0.00 -0.05 0.00 0.00 57.45 54.62 3kl8 n PHE 39 Cb 0.36 0.26 -0.16 0.00 -0.94 0.00 0.00 39.48 38.99 3kl8 n PHE 39 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3kl8 s ALA 40 N -3.22 1.92 -0.32 4.37 0.00 -0.55 -2.35 121.76 121.62 3kl8 s ALA 40 Ca 0.36 -0.92 -0.04 0.00 0.00 0.00 0.00 51.96 51.36 3kl8 s ALA 40 Cb 0.02 -1.01 0.05 0.00 0.00 0.00 0.00 23.12 22.18 3kl8 s ALA 40 CO 0.25 -0.26 0.05 0.00 0.00 0.00 0.00 175.76 175.81 3kl8 s ALA 41 N 1.25 2.92 0.08 0.00 0.00 0.06 0.84 121.76 126.91 3kl8 s ALA 41 Ca 0.01 -1.81 -0.31 0.00 0.00 0.00 0.00 51.96 49.85 3kl8 s ALA 41 Cb -0.14 -2.09 -0.06 0.00 0.00 0.00 0.00 23.12 20.83 3kl8 s ALA 41 CO -0.08 -1.33 1.21 0.21 0.00 0.00 0.00 175.76 175.77 3kl8 s LYS 42 N 1.30 4.43 -0.27 0.00 2.20 -0.22 -2.42 119.74 124.77 3kl8 s LYS 42 Ca -0.03 1.80 0.02 0.00 -0.36 0.00 0.00 55.97 57.40 3kl8 s LYS 42 Cb -0.20 -3.33 0.07 0.00 -1.51 0.00 0.00 37.83 32.87 3kl8 s LYS 42 CO 0.00 -0.25 -0.03 0.42 -0.36 0.00 0.00 175.35 175.14 3kl8 s ILE 43 N 0.93 1.80 0.49 5.43 1.01 0.76 -0.65 121.20 130.97 3kl8 s ILE 43 Ca 0.58 -1.60 0.08 0.00 0.00 0.00 0.00 60.65 59.71 3kl8 s ILE 43 Cb -0.30 -2.11 0.04 0.00 0.01 0.00 0.00 42.46 40.10 3kl8 s ILE 43 CO 0.30 -0.26 0.67 -0.63 0.00 0.00 0.00 174.94 175.03 3kl8 s ILE 44 N 1.23 2.66 0.26 2.92 1.01 -0.24 -2.58 121.20 126.46 3kl8 s ILE 44 Ca -0.01 -0.97 0.06 0.00 0.00 0.00 0.00 60.65 59.73 3kl8 s ILE 44 Cb -0.19 -2.69 -0.06 0.00 0.01 0.00 0.00 42.46 39.53 3kl8 s ILE 44 CO -0.08 0.00 -0.06 0.21 0.00 0.00 0.00 174.94 175.01 3kl8 s ASN 45 N -4.48 2.56 -0.25 3.58 2.47 -1.26 -1.06 114.94 116.50 3kl8 s ASN 45 Ca 0.58 -1.17 0.03 0.00 0.42 0.00 0.00 52.86 52.71 3kl8 s ASN 45 Cb -0.08 -0.13 0.06 0.00 -1.45 0.00 0.00 41.25 39.64 3kl8 s ASN 45 CO 0.36 -0.36 -0.11 -0.89 -3.72 0.00 0.00 177.10 172.38 3kl8 s THR 46 N -3.09 2.10 0.00 -5.21 2.01 0.32 -4.91 115.64 106.87 3kl8 s THR 46 Ca 0.28 -1.56 0.00 0.00 0.31 0.00 0.00 61.69 60.73 3kl8 s THR 46 Cb 0.04 -2.21 0.00 0.00 0.01 0.00 0.00 72.50 70.34 3kl8 s THR 46 CO 0.11 -0.00 0.00 0.47 -0.69 0.00 0.00 174.62 174.50 3kl8 n ASP 53 N 4.46 0.00 -0.09 3.53 8.00 -1.26 -4.97 116.55 126.23 3kl8 n ASP 53 Ca -0.14 0.00 -0.03 0.00 0.71 0.00 0.00 54.79 55.33 3kl8 n ASP 53 Cb 0.43 0.00 0.21 0.00 -0.02 0.00 0.00 41.12 41.74 3kl8 n ASP 53 CO 0.00 0.00 0.00 0.15 -0.39 0.00 0.00 177.20 176.96 3kl8 h PHE 54 N 0.00 0.76 0.00 1.24 3.04 -2.00 -2.51 116.94 117.47 3kl8 h PHE 54 Ca 0.00 -0.08 0.00 0.00 3.98 0.00 0.00 57.97 61.87 3kl8 h PHE 54 Cb 0.00 -0.22 0.00 0.00 2.56 0.00 0.00 35.95 38.29 3kl8 h PHE 54 CO 0.00 0.69 0.00 0.94 -2.02 0.00 0.00 178.31 177.92 3kl8 n GLN 55 N -4.26 0.29 0.07 1.11 7.27 -1.26 -1.23 117.38 119.37 3kl8 n GLN 55 Ca 0.03 0.07 -0.01 0.00 0.07 0.00 0.00 57.00 57.16 3kl8 n GLN 55 Cb 0.26 -1.50 -0.05 0.00 2.41 0.00 0.00 30.24 31.35 3kl8 n GLN 55 CO 0.00 0.00 0.00 0.87 0.07 0.00 0.00 177.06 178.00 3kl8 h LYS 56 N 0.00 0.00 0.00 3.69 1.57 -1.90 -3.31 116.57 116.62 3kl8 h LYS 56 Ca 0.00 0.00 -0.16 0.00 -1.87 0.00 0.00 60.65 58.62 3kl8 h LYS 56 Cb 0.24 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.52 3kl8 h LYS 56 CO 0.00 0.48 -1.04 -0.07 -0.57 0.00 0.00 179.45 178.24 3kl8 h LEU 57 N 0.00 0.00 -0.02 2.94 3.38 -1.19 -2.71 115.31 117.70 3kl8 h LEU 57 Ca -0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.88 3kl8 h LEU 57 Cb 1.57 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.31 3kl8 h LEU 57 CO 0.07 0.63 -0.06 -0.08 0.09 0.00 0.00 178.44 179.09 3kl8 h GLU 58 N 0.00 -0.06 -0.08 1.13 4.57 -1.27 0.77 114.58 119.64 3kl8 h GLU 58 Ca -0.09 0.00 0.04 0.00 -1.18 0.00 0.00 59.36 58.13 3kl8 h GLU 58 Cb 1.57 0.01 -0.06 0.00 -0.16 0.00 0.00 28.75 30.11 3kl8 h GLU 58 CO 0.07 -0.04 -0.43 -0.09 -1.18 0.00 0.00 179.01 177.34 3kl8 h ARG 59 N -0.06 -0.51 -0.64 1.92 2.43 -1.64 -2.32 114.38 113.55 3kl8 h ARG 59 Ca 0.00 0.04 0.12 0.00 -0.81 0.00 0.00 59.98 59.33 3kl8 h ARG 59 Cb 0.08 0.12 -0.09 0.00 -0.42 0.00 0.00 29.97 29.65 3kl8 h ARG 59 CO -0.05 -0.34 0.17 1.49 -1.51 0.00 0.00 179.97 179.72 3kl8 h GLU 60 N -0.53 0.29 -0.43 0.20 4.81 -1.42 -2.40 114.58 115.09 3kl8 h GLU 60 Ca 0.06 -0.02 -0.07 0.00 -0.13 0.00 0.00 59.36 59.21 3kl8 h GLU 60 Cb 0.64 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.94 3kl8 h GLU 60 CO -0.37 0.19 0.01 0.00 -0.73 0.00 0.00 179.01 178.11 3kl8 h ALA 61 N 1.50 0.58 -0.88 2.92 0.00 -0.49 -2.58 119.26 120.30 3kl8 h ALA 61 Ca 0.34 -0.26 0.23 0.00 0.00 0.00 0.00 54.91 55.22 3kl8 h ALA 61 Cb 0.51 -0.16 -0.13 0.00 0.00 0.00 0.00 17.79 18.01 3kl8 h ALA 61 CO -0.41 0.36 0.33 -0.09 0.00 0.00 0.00 179.25 179.44 3kl8 h ARG 62 N 0.59 0.30 0.46 0.00 2.43 -0.91 -2.50 114.38 114.76 3kl8 h ARG 62 Ca 0.12 -0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 59.25 3kl8 h ARG 62 Cb 0.48 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 29.96 3kl8 h ARG 62 CO 0.02 0.20 -0.24 0.82 -1.51 0.00 0.00 179.97 179.26 3kl8 h ILE 63 N 0.31 0.51 0.00 1.20 2.04 -1.31 -2.45 117.51 117.81 3kl8 h ILE 63 Ca 0.56 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.42 3kl8 h ILE 63 Cb 1.10 0.51 0.00 0.00 -0.74 0.00 0.00 36.82 37.69 3kl8 h ILE 63 CO -0.59 0.00 0.00 0.00 0.00 0.00 0.00 178.15 177.56 3kl8 h ARG 65 N 0.00 0.00 0.00 0.00 2.43 -1.21 -2.94 114.38 112.67 3kl8 h ARG 65 Ca 0.00 0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.14 3kl8 h ARG 65 Cb 0.04 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 29.59 3kl8 h ARG 65 CO 0.00 0.00 -0.68 0.87 -1.51 0.00 0.00 179.97 178.65 3kl8 h LYS 66 N 0.00 0.00 -3.89 0.20 1.57 -0.42 -3.43 116.57 110.60 3kl8 h LYS 66 Ca 0.00 0.00 -0.78 0.00 -1.87 0.00 0.00 60.65 58.00 3kl8 h LYS 66 Cb 0.82 0.00 -0.26 0.00 0.08 0.00 0.00 32.23 32.87 3kl8 h LYS 66 CO 0.00 0.07 -0.02 -0.51 -0.57 0.00 0.00 179.45 178.42 3kl8 s LEU 67 N -5.77 6.51 -0.56 2.94 1.43 -1.08 -4.99 118.68 117.16 3kl8 s LEU 67 Ca 0.02 -2.48 -0.01 0.00 -1.03 0.00 0.00 54.13 50.64 3kl8 s LEU 67 Cb 0.08 -2.18 0.14 0.00 0.03 0.00 0.00 46.19 44.26 3kl8 s LEU 67 CO 0.75 -0.63 0.34 -1.10 0.23 0.00 0.00 176.35 175.95 3kl8 s GLN 68 N 0.51 2.29 -0.08 1.70 -1.52 -1.26 -4.51 119.66 116.79 3kl8 s GLN 68 Ca 0.14 -2.43 -0.11 0.00 -1.95 0.00 0.00 55.36 51.01 3kl8 s GLN 68 Cb -0.16 -3.58 0.03 0.00 -0.22 0.00 0.00 33.01 29.07 3kl8 s GLN 68 CO -0.06 -1.13 0.29 -1.58 -0.25 0.00 0.00 175.29 172.56 3kl8 s HIS 69 N 0.08 -0.26 0.49 0.91 2.46 -1.26 -5.05 115.29 112.66 3kl8 s HIS 69 Ca 0.16 0.59 0.21 0.00 0.47 0.00 0.00 55.06 56.49 3kl8 s HIS 69 Cb -0.22 0.10 1.25 0.00 -0.13 0.00 0.00 32.58 33.58 3kl8 s HIS 69 CO -0.03 -0.23 1.97 -1.35 -2.47 0.00 0.00 174.74 172.63 3kl8 h PRO 70 N 5.08 0.17 -0.63 2.88 0.11 -1.98 0.36 132.00 137.99 3kl8 h PRO 70 Ca -0.27 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.83 3kl8 h PRO 70 Cb 1.19 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.26 3kl8 h PRO 70 CO 0.35 0.11 0.00 0.09 -0.21 0.00 0.00 178.00 178.34 3kl8 n ASN 71 N -4.42 4.94 -4.06 -2.05 4.13 -1.26 -4.77 115.26 107.76 3kl8 n ASN 71 Ca 0.11 -2.66 -0.31 0.00 1.68 0.00 0.00 54.58 53.40 3kl8 n ASN 71 Cb 0.56 -0.62 -0.16 0.00 -1.54 0.00 0.00 39.78 38.02 3kl8 n ASN 71 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 3kl8 s ILE 72 N -2.26 1.79 -0.72 2.41 1.01 0.13 -0.21 121.20 123.35 3kl8 s ILE 72 Ca 0.49 -0.79 -0.13 0.00 0.00 0.00 0.00 60.65 60.21 3kl8 s ILE 72 Cb 0.35 -1.66 -0.19 0.00 0.01 0.00 0.00 42.46 40.96 3kl8 s ILE 72 CO 0.18 0.48 1.92 0.52 0.00 0.00 0.00 174.94 178.04 3kl8 n VAL 73 N 4.70 0.00 -1.97 2.92 0.31 -0.98 -4.50 118.33 118.81 3kl8 n VAL 73 Ca -0.19 -0.42 -0.41 0.00 -0.01 0.00 0.00 64.34 63.31 3kl8 n VAL 73 Cb 0.50 -0.77 -0.02 0.00 -0.91 0.00 0.00 33.84 32.64 3kl8 n VAL 73 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 3kl8 s ARG 74 N 7.19 4.24 -0.13 5.55 0.52 -1.26 -4.70 118.95 130.36 3kl8 s ARG 74 Ca 0.83 2.38 -0.21 0.00 -0.52 0.00 0.00 55.73 58.21 3kl8 s ARG 74 Cb -0.35 -3.05 -0.03 0.00 0.52 0.00 0.00 34.95 32.04 3kl8 s ARG 74 CO 0.26 -0.39 0.60 -1.17 0.02 0.00 0.00 175.30 174.61 3kl8 s LEU 75 N -1.34 4.24 -0.25 2.53 2.96 -1.26 -1.57 118.68 124.00 3kl8 s LEU 75 Ca 0.54 0.93 -0.08 0.00 -0.22 0.00 0.00 54.13 55.30 3kl8 s LEU 75 Cb -0.43 -2.88 -0.12 0.00 0.50 0.00 0.00 46.19 43.26 3kl8 s LEU 75 CO 0.52 -0.13 -0.29 1.41 -1.32 0.00 0.00 176.35 176.54 3kl8 n HIS 76 N 4.22 0.00 -3.93 5.38 8.25 0.48 -4.80 115.22 124.82 3kl8 n HIS 76 Ca -0.03 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.33 3kl8 n HIS 76 Cb 0.51 -0.91 -0.11 0.00 1.12 0.00 0.00 29.99 30.61 3kl8 n HIS 76 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 3kl8 s ASP 77 N -6.94 0.13 -0.12 0.41 2.15 -1.20 -5.00 116.67 106.09 3kl8 s ASP 77 Ca -0.34 -0.33 0.02 0.00 0.43 0.00 0.00 52.55 52.33 3kl8 s ASP 77 Cb 0.12 0.15 0.01 0.00 -0.30 0.00 0.00 42.92 42.89 3kl8 s ASP 77 CO 0.48 -0.31 -0.19 -0.55 -0.17 0.00 0.00 175.17 174.42 3kl8 s SER 78 N -1.31 2.82 -0.03 -0.34 0.15 -1.26 -1.08 113.70 112.64 3kl8 s SER 78 Ca -0.14 -0.52 0.01 0.00 0.70 0.00 0.00 55.95 55.99 3kl8 s SER 78 Cb -0.08 -1.29 0.03 0.00 -1.71 0.00 0.00 66.02 62.96 3kl8 s SER 78 CO 0.00 0.07 -0.01 -0.63 1.20 0.00 0.00 173.24 173.87 3kl8 s ILE 79 N 0.81 0.24 -0.29 6.45 1.01 -0.24 -5.01 121.20 124.16 3kl8 s ILE 79 Ca -0.09 0.05 -0.11 0.00 0.00 0.00 0.00 60.65 60.50 3kl8 s ILE 79 Cb -0.16 -0.32 -0.04 0.00 0.01 0.00 0.00 42.46 41.95 3kl8 s ILE 79 CO -0.00 0.16 0.20 -1.58 0.00 0.00 0.00 174.94 173.72 3kl8 s GLN 80 N 1.00 3.88 0.00 2.79 2.00 -1.26 -0.32 119.66 127.74 3kl8 s GLN 80 Ca -0.10 -0.37 0.00 0.00 -2.00 0.00 0.00 55.36 52.89 3kl8 s GLN 80 Cb -0.14 -3.68 0.00 0.00 0.80 0.00 0.00 33.01 29.99 3kl8 s GLN 80 CO -0.01 -0.22 0.00 0.39 -0.50 0.00 0.00 175.29 174.95 3kl8 n GLU 81 N 5.07 0.00 0.00 1.67 -0.58 -0.94 -4.70 120.64 121.16 3kl8 n GLU 81 Ca -0.14 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.60 3kl8 n GLU 81 Cb 0.52 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.39 3kl8 n GLU 81 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 3kl8 n GLU 82 N 0.00 0.00 -0.00 3.49 1.02 -1.26 -4.84 120.64 119.05 3kl8 n GLU 82 Ca 0.00 0.00 0.07 0.00 -0.02 0.00 0.00 57.16 57.21 3kl8 n GLU 82 Cb 0.00 -0.15 -0.09 0.00 -0.02 0.00 0.00 31.44 31.18 3kl8 n GLU 82 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 3kl8 n SER 83 N -1.14 1.14 -4.90 1.62 3.41 -1.26 -4.99 113.62 107.51 3kl8 n SER 83 Ca 0.00 -0.45 -0.34 0.00 -0.26 0.00 0.00 58.87 57.82 3kl8 n SER 83 Cb 0.00 1.29 -0.05 0.00 -0.26 0.00 0.00 64.21 65.20 3kl8 n SER 83 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 3kl8 s PHE 84 N -2.61 3.55 -0.07 7.33 2.99 -1.26 -0.52 117.98 127.39 3kl8 s PHE 84 Ca 0.01 0.45 0.02 0.00 0.00 0.00 0.00 56.93 57.40 3kl8 s PHE 84 Cb 0.10 -1.90 -0.03 0.00 0.00 0.00 0.00 43.02 41.19 3kl8 s PHE 84 CO 0.58 0.62 -0.11 -1.58 -0.00 0.00 0.00 175.22 174.73 3kl8 s HIS 85 N -1.34 2.81 -0.11 0.36 2.46 -0.22 -2.21 115.29 117.04 3kl8 s HIS 85 Ca 0.29 -0.13 0.02 0.00 0.47 0.00 0.00 55.06 55.70 3kl8 s HIS 85 Cb -0.13 -1.69 -0.01 0.00 -0.13 0.00 0.00 32.58 30.62 3kl8 s HIS 85 CO 0.18 0.20 -0.16 0.71 -2.47 0.00 0.00 174.74 173.20 3kl8 s TYR 86 N -0.63 2.72 -0.25 3.88 1.51 0.56 -1.08 117.35 124.07 3kl8 s TYR 86 Ca 0.09 -0.66 0.01 0.00 -1.01 0.00 0.00 57.07 55.50 3kl8 s TYR 86 Cb -0.11 -1.77 0.07 0.00 -0.11 0.00 0.00 41.96 40.03 3kl8 s TYR 86 CO 0.01 -0.20 -0.02 -0.51 -1.11 0.00 0.00 175.55 173.72 3kl8 s LEU 87 N 0.16 2.61 -0.41 -1.29 1.43 0.18 -1.08 118.68 120.29 3kl8 s LEU 87 Ca -0.09 -1.29 -0.22 0.00 -1.03 0.00 0.00 54.13 51.50 3kl8 s LEU 87 Cb -0.15 -1.14 0.02 0.00 0.03 0.00 0.00 46.19 44.95 3kl8 s LEU 87 CO 0.06 -0.27 0.75 -0.69 0.23 0.00 0.00 176.35 176.42 3kl8 s VAL 88 N 1.41 4.73 0.22 -1.59 1.01 -0.24 -1.05 120.40 124.89 3kl8 s VAL 88 Ca -0.02 0.57 0.08 0.00 0.00 0.00 0.00 61.98 62.62 3kl8 s VAL 88 Cb -0.19 -4.24 -0.04 0.00 0.00 0.00 0.00 36.38 31.91 3kl8 s VAL 88 CO -0.09 -0.56 0.01 -0.36 0.00 0.00 0.00 175.10 174.11 3kl8 s PHE 89 N 3.10 2.78 0.46 5.22 0.40 0.25 -0.39 117.98 129.80 3kl8 s PHE 89 Ca 0.29 -0.18 -0.21 0.00 -0.60 0.00 0.00 56.93 56.22 3kl8 s PHE 89 Cb -0.13 -1.29 -0.11 0.00 0.51 0.00 0.00 43.02 42.00 3kl8 s PHE 89 CO 0.19 0.57 0.57 -0.25 0.70 0.00 0.00 175.22 177.00 3kl8 n ASP 90 N -0.57 -0.76 -4.59 1.36 10.43 -0.61 -1.48 116.55 120.34 3kl8 n ASP 90 Ca -0.08 0.87 -0.37 0.00 2.57 0.00 0.00 54.79 57.79 3kl8 n ASP 90 Cb 0.57 -1.15 -0.11 0.00 1.84 0.00 0.00 41.12 42.28 3kl8 n ASP 90 CO 0.00 0.00 0.00 -0.22 -1.07 0.00 0.00 177.20 175.91 3kl8 s LEU 91 N 1.34 3.89 -0.03 0.64 2.96 -1.26 -4.34 118.68 121.88 3kl8 s LEU 91 Ca 0.64 0.00 0.05 0.00 -0.22 0.00 0.00 54.13 54.61 3kl8 s LEU 91 Cb -0.56 -2.04 -0.01 0.00 0.50 0.00 0.00 46.19 44.08 3kl8 s LEU 91 CO 0.57 0.03 -0.17 -0.69 -1.32 0.00 0.00 176.35 174.77 3kl8 s VAL 92 N 1.25 1.41 0.00 1.68 1.01 -1.26 -5.01 120.40 119.48 3kl8 s VAL 92 Ca 0.06 -0.73 0.00 0.00 0.00 0.00 0.00 61.98 61.31 3kl8 s VAL 92 Cb -0.14 -1.19 0.00 0.00 0.00 0.00 0.00 36.38 35.04 3kl8 s VAL 92 CO 0.05 0.40 0.00 0.35 0.00 0.00 0.00 175.10 175.91 3kl8 n THR 93 N 2.90 0.00 0.00 3.92 -2.24 -1.25 -4.72 114.28 112.90 3kl8 n THR 93 Ca -0.16 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.62 3kl8 n THR 93 Cb 0.53 -0.33 0.00 0.00 -2.10 0.00 0.00 70.33 68.43 3kl8 n THR 93 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3kl8 n GLY 94 N 2.40 0.00 6.61 3.38 0.00 -0.36 -4.91 105.19 112.31 3kl8 n GLY 94 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.03 3kl8 n GLY 94 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kl8 n GLY 95 N -0.71 -1.57 3.82 -0.02 0.00 -1.26 -4.53 105.19 100.92 3kl8 n GLY 95 Ca 0.00 -1.23 -0.33 0.00 0.00 0.00 0.00 46.02 44.47 3kl8 n GLY 95 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3kl8 s GLU 96 N -0.10 3.56 0.29 1.61 2.02 -1.26 -1.50 118.70 123.32 3kl8 s GLU 96 Ca 0.00 1.13 0.05 0.00 0.02 0.00 0.00 54.97 56.17 3kl8 s GLU 96 Cb 0.00 -2.07 0.44 0.00 0.10 0.00 0.00 34.13 32.60 3kl8 s GLU 96 CO 0.00 -0.60 1.71 1.25 0.02 0.00 0.00 175.26 177.63 3kl8 h LEU 97 N 0.67 0.34 -0.38 1.80 5.85 -0.12 -2.84 115.31 120.63 3kl8 h LEU 97 Ca -0.47 -0.13 0.08 0.00 0.84 0.00 0.00 57.88 58.20 3kl8 h LEU 97 Cb 1.21 -0.09 -0.09 0.00 0.37 0.00 0.00 40.66 42.06 3kl8 h LEU 97 CO 0.59 0.68 -0.34 0.15 -0.34 0.00 0.00 178.44 179.18 3kl8 h PHE 98 N 0.28 -0.94 -0.54 1.25 3.57 -1.77 -1.44 116.94 117.35 3kl8 h PHE 98 Ca 0.03 0.06 0.03 0.00 3.53 0.00 0.00 57.97 61.62 3kl8 h PHE 98 Cb 0.77 0.47 -0.04 0.00 2.79 0.00 0.00 35.95 39.94 3kl8 h PHE 98 CO 0.02 -0.39 0.31 0.93 -2.23 0.00 0.00 178.31 176.94 3kl8 h GLU 99 N -0.27 0.58 0.00 1.11 5.08 -1.88 -1.18 114.58 118.02 3kl8 h GLU 99 Ca 0.16 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.49 3kl8 h GLU 99 Cb 0.55 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.66 3kl8 h GLU 99 CO -0.53 0.39 0.00 0.22 -1.00 0.00 0.00 179.01 178.08 3kl8 h ASP 100 N 0.60 0.00 0.18 1.42 3.58 -1.11 0.22 116.42 121.32 3kl8 h ASP 100 Ca 0.23 0.00 -0.35 0.00 0.42 0.00 0.00 57.03 57.32 3kl8 h ASP 100 Cb 0.07 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.11 3kl8 h ASP 100 CO -0.12 0.00 -1.87 0.40 -2.88 0.00 0.00 179.24 174.76 3kl8 h ILE 101 N 0.00 0.77 -0.06 2.25 2.04 -0.23 -2.49 117.51 119.80 3kl8 h ILE 101 Ca 0.00 -2.44 -0.08 0.00 1.00 0.00 0.00 64.86 63.34 3kl8 h ILE 101 Cb 0.19 2.61 -0.01 0.00 -0.74 0.00 0.00 36.82 38.87 3kl8 h ILE 101 CO 0.00 0.87 -0.31 -0.37 0.00 0.00 0.00 178.15 178.34 3kl8 h VAL 102 N 0.08 1.25 0.43 1.67 -1.51 -1.08 -0.75 116.25 116.33 3kl8 h VAL 102 Ca -0.38 -1.17 -0.01 0.00 -1.23 0.00 0.00 66.70 63.91 3kl8 h VAL 102 Cb 2.06 1.55 -0.02 0.00 -2.13 0.00 0.00 31.29 32.75 3kl8 h VAL 102 CO 0.13 0.34 -0.39 0.00 -1.23 0.00 0.00 177.57 176.42 3kl8 h ALA 103 N 1.59 -0.87 -0.01 5.19 0.00 -0.58 -3.23 119.26 121.34 3kl8 h ALA 103 Ca 0.01 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.78 3kl8 h ALA 103 Cb 0.60 0.55 0.00 0.00 0.00 0.00 0.00 17.79 18.94 3kl8 h ALA 103 CO 0.04 -1.02 -0.29 0.54 0.00 0.00 0.00 179.25 178.52 3kl8 n ARG 104 N -5.49 1.09 0.00 0.00 1.74 -0.94 -4.96 116.66 108.10 3kl8 n ARG 104 Ca -0.11 -0.75 0.00 0.00 -0.77 0.00 0.00 57.85 56.22 3kl8 n ARG 104 Cb 0.39 -1.48 0.00 0.00 -1.02 0.00 0.00 32.46 30.35 3kl8 n ARG 104 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 3kl8 n GLU 105 N -0.30 0.00 0.00 5.56 1.02 -0.29 -4.80 120.64 121.83 3kl8 n GLU 105 Ca 0.12 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.26 3kl8 n GLU 105 Cb 0.40 -0.03 0.00 0.00 -0.02 0.00 0.00 31.44 31.79 3kl8 n GLU 105 CO 0.00 0.00 0.00 1.97 1.18 0.00 0.00 177.13 180.28 3kl8 n PHE 106 N 0.00 0.00 -1.56 -0.32 1.16 -1.25 -3.99 117.46 111.50 3kl8 n PHE 106 Ca 0.00 0.00 -0.32 0.00 -1.87 0.00 0.00 57.45 55.26 3kl8 n PHE 106 Cb 0.00 0.00 0.06 0.00 -1.61 0.00 0.00 39.48 37.93 3kl8 n PHE 106 CO 0.00 0.00 0.00 0.71 -1.87 0.00 0.00 176.76 175.60 3kl8 s TYR 107 N -1.06 2.83 0.70 2.97 4.12 0.31 -4.98 117.35 122.24 3kl8 s TYR 107 Ca 0.00 1.50 -0.11 0.00 0.02 0.00 0.00 57.07 58.48 3kl8 s TYR 107 Cb 0.00 -3.00 0.01 0.00 -1.52 0.00 0.00 41.96 37.45 3kl8 s TYR 107 CO 0.00 -1.48 1.09 -1.54 0.02 0.00 0.00 175.55 173.64 3kl8 s SER 108 N -3.32 5.47 0.30 2.29 1.04 -1.26 -4.61 113.70 113.61 3kl8 s SER 108 Ca 0.61 1.13 0.00 0.00 0.48 0.00 0.00 55.95 58.17 3kl8 s SER 108 Cb -0.16 -1.93 0.47 0.00 0.10 0.00 0.00 66.02 64.49 3kl8 s SER 108 CO 0.51 -1.32 1.87 -0.33 0.98 0.00 0.00 173.24 174.94 3kl8 h GLU 109 N -0.64 0.79 0.99 4.02 5.08 -1.96 0.34 114.58 123.21 3kl8 h GLU 109 Ca -0.45 -0.14 -0.05 0.00 -1.00 0.00 0.00 59.36 57.72 3kl8 h GLU 109 Cb 1.25 -0.13 0.01 0.00 0.50 0.00 0.00 28.75 30.38 3kl8 h GLU 109 CO 0.64 0.69 -0.48 0.00 -1.00 0.00 0.00 179.01 178.86 3kl8 h ALA 110 N 1.41 -1.33 -0.62 3.43 0.00 -1.98 1.13 119.26 121.29 3kl8 h ALA 110 Ca 0.18 -0.29 0.04 0.00 0.00 0.00 0.00 54.91 54.84 3kl8 h ALA 110 Cb 0.22 0.52 -0.04 0.00 0.00 0.00 0.00 17.79 18.49 3kl8 h ALA 110 CO -0.01 -1.24 0.41 -0.44 0.00 0.00 0.00 179.25 177.97 3kl8 h ASP 111 N -1.34 0.59 0.09 0.00 3.45 -1.90 0.71 116.42 118.02 3kl8 h ASP 111 Ca -0.14 -0.00 -0.00 0.00 0.43 0.00 0.00 57.03 57.32 3kl8 h ASP 111 Cb 1.02 -0.13 0.00 0.00 -0.56 0.00 0.00 39.33 39.66 3kl8 h ASP 111 CO 0.22 0.40 -0.04 0.00 -1.57 0.00 0.00 179.24 178.25 3kl8 h ALA 112 N 1.65 -0.13 -0.58 3.45 0.00 -0.02 0.20 119.26 123.84 3kl8 h ALA 112 Ca 0.26 -0.15 0.12 0.00 0.00 0.00 0.00 54.91 55.13 3kl8 h ALA 112 Cb 0.16 0.05 -0.10 0.00 0.00 0.00 0.00 17.79 17.89 3kl8 h ALA 112 CO -0.07 -0.43 -0.05 1.03 0.00 0.00 0.00 179.25 179.73 3kl8 h SER 113 N -0.41 -0.35 -0.42 0.00 0.87 0.19 0.48 113.55 113.92 3kl8 h SER 113 Ca -0.01 0.15 -0.02 0.00 -1.23 0.00 0.00 61.79 60.68 3kl8 h SER 113 Cb 0.35 0.29 -0.02 0.00 -0.44 0.00 0.00 62.40 62.57 3kl8 h SER 113 CO 0.02 -0.13 0.19 -0.74 -0.53 0.00 0.00 176.83 175.64 3kl8 h HIS 114 N 0.08 0.61 -0.59 2.24 6.17 -0.72 -1.68 115.15 121.25 3kl8 h HIS 114 Ca 0.29 -0.03 -0.07 0.00 0.71 0.00 0.00 60.37 61.27 3kl8 h HIS 114 Cb 0.46 -0.19 -0.03 0.00 2.52 0.00 0.00 27.41 30.18 3kl8 h HIS 114 CO -0.39 0.51 0.09 0.00 0.71 0.00 0.00 177.93 178.85 3kl8 h ILE 116 N 0.91 1.43 -0.33 0.00 6.09 -0.89 -3.11 117.51 121.60 3kl8 h ILE 116 Ca 0.18 -2.67 -0.00 0.00 -1.37 0.00 0.00 64.86 61.00 3kl8 h ILE 116 Cb 0.41 2.62 -0.02 0.00 0.47 0.00 0.00 36.82 40.30 3kl8 h ILE 116 CO 0.01 0.79 0.19 -0.61 -3.07 0.00 0.00 178.15 175.46 3kl8 h GLN 117 N 0.17 0.45 -0.06 2.19 4.15 -1.12 0.37 115.11 121.25 3kl8 h GLN 117 Ca -0.10 -0.04 -0.02 0.00 0.77 0.00 0.00 58.65 59.26 3kl8 h GLN 117 Cb 1.72 -0.10 -0.00 0.00 0.21 0.00 0.00 27.48 29.32 3kl8 h GLN 117 CO 0.18 0.33 -0.06 1.96 -1.93 0.00 0.00 178.83 179.31 3kl8 h GLN 118 N 0.46 0.15 -0.60 1.69 4.20 -1.47 -1.78 115.11 117.76 3kl8 h GLN 118 Ca 0.12 -0.08 -0.01 0.00 0.06 0.00 0.00 58.65 58.74 3kl8 h GLN 118 Cb 0.01 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 27.76 3kl8 h GLN 118 CO -0.02 0.58 0.33 0.82 -0.67 0.00 0.00 178.83 179.87 3kl8 h ILE 119 N -0.29 1.20 0.07 2.54 2.04 -1.31 -1.85 117.51 119.90 3kl8 h ILE 119 Ca 0.01 -0.50 0.02 0.00 1.00 0.00 0.00 64.86 65.39 3kl8 h ILE 119 Cb 0.55 0.43 -0.03 0.00 -0.74 0.00 0.00 36.82 37.03 3kl8 h ILE 119 CO 0.01 0.21 -0.21 -0.07 0.00 0.00 0.00 178.15 178.10 3kl8 h LEU 120 N 0.81 -0.59 -1.06 1.44 3.38 -0.27 0.14 115.31 119.15 3kl8 h LEU 120 Ca 0.21 0.07 0.15 0.00 0.09 0.00 0.00 57.88 58.40 3kl8 h LEU 120 Cb 0.05 0.23 -0.09 0.00 0.09 0.00 0.00 40.66 40.94 3kl8 h LEU 120 CO -0.03 -0.29 0.62 -0.33 0.09 0.00 0.00 178.44 178.50 3kl8 h GLU 121 N -0.37 0.85 0.10 1.13 5.08 -1.12 0.43 114.58 120.67 3kl8 h GLU 121 Ca 0.04 -0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 58.34 3kl8 h GLU 121 Cb 0.41 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.47 3kl8 h GLU 121 CO -0.14 0.56 -0.05 0.66 -1.00 0.00 0.00 179.01 179.04 3kl8 h SER 122 N 0.87 -0.11 -0.00 1.42 4.64 -0.62 -1.95 113.55 117.80 3kl8 h SER 122 Ca 0.51 -0.33 0.03 0.00 -0.47 0.00 0.00 61.79 61.54 3kl8 h SER 122 Cb 0.66 0.03 -0.05 0.00 -0.31 0.00 0.00 62.40 62.72 3kl8 h SER 122 CO -0.29 0.29 -0.40 0.40 -0.87 0.00 0.00 176.83 175.96 3kl8 h ILE 123 N -0.52 0.19 -0.84 0.95 1.08 -0.31 -0.45 117.51 117.59 3kl8 h ILE 123 Ca -0.01 0.00 0.12 0.00 -0.39 0.00 0.00 64.86 64.57 3kl8 h ILE 123 Cb 0.43 0.19 -0.13 0.00 -3.07 0.00 0.00 36.82 34.23 3kl8 h ILE 123 CO 0.02 0.00 -0.44 0.00 -0.69 0.00 0.00 178.15 177.04 3kl8 h ALA 124 N 0.04 -0.15 -0.29 1.87 0.00 -0.16 0.79 119.26 121.35 3kl8 h ALA 124 Ca 0.05 0.19 0.06 0.00 0.00 0.00 0.00 54.91 55.21 3kl8 h ALA 124 Cb 0.63 1.06 -0.05 0.00 0.00 0.00 0.00 17.79 19.43 3kl8 h ALA 124 CO -0.31 -0.76 -0.06 -0.92 0.00 0.00 0.00 179.25 177.20 3kl8 h TYR 125 N -0.08 -0.13 -0.56 0.00 3.20 -0.87 0.12 116.97 118.64 3kl8 h TYR 125 Ca 0.25 0.03 0.11 0.00 3.14 0.00 0.00 58.73 62.26 3kl8 h TYR 125 Cb 0.54 0.10 -0.09 0.00 1.54 0.00 0.00 36.73 38.83 3kl8 h TYR 125 CO -0.84 -0.11 0.03 0.00 -1.64 0.00 0.00 178.16 175.59 3kl8 h HIS 127 N 0.14 0.20 0.00 0.00 3.86 -0.38 0.78 115.15 119.75 3kl8 h HIS 127 Ca 0.29 -0.07 0.00 0.00 -1.16 0.00 0.00 60.37 59.44 3kl8 h HIS 127 Cb 0.45 -0.04 0.00 0.00 1.06 0.00 0.00 27.41 28.88 3kl8 h HIS 127 CO -0.32 0.65 0.00 -1.13 0.86 0.00 0.00 177.93 177.99 3kl8 n SER 128 N -4.70 0.00 -0.15 2.45 3.41 0.37 -0.14 113.62 114.86 3kl8 n SER 128 Ca -0.08 -0.06 0.04 0.00 -0.26 0.00 0.00 58.87 58.52 3kl8 n SER 128 Cb 0.32 0.00 0.06 0.00 -0.26 0.00 0.00 64.21 64.33 3kl8 n SER 128 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3kl8 n ASN 129 N -0.82 1.44 -0.05 4.04 3.02 -0.84 -5.00 115.26 117.05 3kl8 n ASN 129 Ca 0.01 -2.36 -0.01 0.00 -0.03 0.00 0.00 54.58 52.19 3kl8 n ASN 129 Cb 0.00 -0.24 -0.00 0.00 -0.61 0.00 0.00 39.78 38.93 3kl8 n ASN 129 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3kl8 n GLY 130 N -0.73 0.45 3.61 7.41 0.00 0.80 -4.95 105.19 111.78 3kl8 n GLY 130 Ca 0.07 -0.14 -0.34 0.00 0.00 0.00 0.00 46.02 45.61 3kl8 n GLY 130 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3kl8 s ILE 131 N -1.86 4.47 -0.12 -0.61 -1.09 0.21 -0.07 121.20 122.13 3kl8 s ILE 131 Ca 0.00 -0.15 0.01 0.00 -2.23 0.00 0.00 60.65 58.27 3kl8 s ILE 131 Cb 0.00 -2.98 -0.02 0.00 -1.58 0.00 0.00 42.46 37.88 3kl8 s ILE 131 CO 0.00 0.50 -0.14 -0.69 -1.23 0.00 0.00 174.94 173.38 3kl8 s VAL 132 N 0.15 3.00 -0.13 2.92 1.01 -0.67 -3.40 120.40 123.28 3kl8 s VAL 132 Ca 0.03 -0.69 -0.20 0.00 0.00 0.00 0.00 61.98 61.11 3kl8 s VAL 132 Cb -0.13 -2.24 -0.18 0.00 0.00 0.00 0.00 36.38 33.83 3kl8 s VAL 132 CO 0.01 0.53 0.54 -0.74 0.00 0.00 0.00 175.10 175.45 3kl8 h HIS 133 N 6.54 0.00 0.00 5.22 2.76 -1.89 -2.31 115.15 125.47 3kl8 h HIS 133 Ca -0.28 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 57.89 3kl8 h HIS 133 Cb 1.21 0.00 0.00 0.00 1.55 0.00 0.00 27.41 30.17 3kl8 h HIS 133 CO 0.50 0.70 0.00 0.54 -1.30 0.00 0.00 177.93 178.37 3kl8 n ARG 134 N -4.66 0.00 -1.05 5.26 1.74 -1.26 -3.18 116.66 113.50 3kl8 n ARG 134 Ca -0.07 0.00 -0.17 0.00 -0.77 0.00 0.00 57.85 56.84 3kl8 n ARG 134 Cb 0.34 0.00 -0.03 0.00 -1.02 0.00 0.00 32.46 31.75 3kl8 n ARG 134 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 3kl8 n ASN 135 N 3.48 6.17 -4.60 0.55 5.15 -1.26 -4.62 115.26 120.13 3kl8 n ASN 135 Ca 0.00 -2.95 -0.43 0.00 -0.60 0.00 0.00 54.58 50.60 3kl8 n ASN 135 Cb 0.00 -1.17 -0.04 0.00 -0.53 0.00 0.00 39.78 38.04 3kl8 n ASN 135 CO 0.00 0.00 0.00 -0.22 1.40 0.00 0.00 177.26 178.44 3kl8 s LEU 136 N -1.47 4.02 0.23 1.20 2.96 -1.26 -4.89 118.68 119.46 3kl8 s LEU 136 Ca 0.41 0.49 -0.15 0.00 -0.22 0.00 0.00 54.13 54.67 3kl8 s LEU 136 Cb 0.27 -3.22 0.01 0.00 0.50 0.00 0.00 46.19 43.75 3kl8 s LEU 136 CO -0.07 -0.86 0.49 -1.59 -1.32 0.00 0.00 176.35 173.00 3kl8 s LYS 137 N 3.46 1.49 0.31 1.98 -2.85 -1.26 -4.83 119.74 118.03 3kl8 s LYS 137 Ca 0.37 -1.11 -0.01 0.00 -1.00 0.00 0.00 55.97 54.22 3kl8 s LYS 137 Cb -0.12 0.49 0.49 0.00 -2.06 0.00 0.00 37.83 36.63 3kl8 s LYS 137 CO 0.19 -0.62 1.95 -1.35 0.10 0.00 0.00 175.35 175.62 3kl8 h PRO 138 N 2.24 0.96 0.00 1.78 0.11 -1.95 -2.00 132.00 133.15 3kl8 h PRO 138 Ca -0.27 -0.08 0.00 0.00 0.11 0.00 0.00 66.00 65.76 3kl8 h PRO 138 Cb 1.25 -0.20 0.00 0.00 0.11 0.00 0.00 31.00 32.16 3kl8 h PRO 138 CO 0.36 0.68 0.00 0.39 -0.21 0.00 0.00 178.00 179.22 3kl8 n GLU 139 N -4.39 0.41 0.00 1.05 4.71 -1.26 -1.66 120.64 119.50 3kl8 n GLU 139 Ca 0.07 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.22 3kl8 n GLU 139 Cb 0.07 -1.32 0.00 0.00 -1.01 0.00 0.00 31.44 29.18 3kl8 n GLU 139 CO 0.00 0.00 0.00 0.09 0.09 0.00 0.00 177.13 177.31 3kl8 n ASN 140 N -0.82 1.58 -4.41 1.62 3.02 -0.76 -4.95 115.26 110.55 3kl8 n ASN 140 Ca 0.06 -1.73 -0.35 0.00 -0.03 0.00 0.00 54.58 52.54 3kl8 n ASN 140 Cb 0.03 0.00 -0.13 0.00 -0.61 0.00 0.00 39.78 39.07 3kl8 n ASN 140 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3kl8 s LEU 141 N -0.73 3.11 0.05 3.41 1.43 -0.66 -2.02 118.68 123.27 3kl8 s LEU 141 Ca 0.00 -0.26 0.02 0.00 -1.03 0.00 0.00 54.13 52.86 3kl8 s LEU 141 Cb 0.00 -1.78 -0.04 0.00 0.03 0.00 0.00 46.19 44.40 3kl8 s LEU 141 CO 0.00 0.06 0.06 -0.76 0.23 0.00 0.00 176.35 175.94 3kl8 s LEU 142 N 1.04 3.76 -0.03 1.79 1.43 0.43 0.43 118.68 127.52 3kl8 s LEU 142 Ca 0.01 0.02 -0.02 0.00 -1.03 0.00 0.00 54.13 53.10 3kl8 s LEU 142 Cb -0.14 -2.34 -0.04 0.00 0.03 0.00 0.00 46.19 43.70 3kl8 s LEU 142 CO 0.01 0.21 0.12 -0.76 0.23 0.00 0.00 176.35 176.16 3kl8 s LEU 143 N -2.10 4.11 0.06 1.79 1.43 -0.56 0.46 118.68 123.87 3kl8 s LEU 143 Ca 0.26 0.27 -0.24 0.00 -1.03 0.00 0.00 54.13 53.39 3kl8 s LEU 143 Cb -0.12 -2.31 -0.16 0.00 0.03 0.00 0.00 46.19 43.62 3kl8 s LEU 143 CO 0.18 0.30 1.63 0.00 0.23 0.00 0.00 176.35 178.69 3kl8 h ALA 144 N 4.24 -0.05 -3.79 4.21 0.00 -1.24 -0.94 119.26 121.69 3kl8 h ALA 144 Ca -0.50 -0.06 -0.23 0.00 0.00 0.00 0.00 54.91 54.12 3kl8 h ALA 144 Cb 1.19 0.02 -0.06 0.00 0.00 0.00 0.00 17.79 18.94 3kl8 h ALA 144 CO 0.63 -0.47 -0.17 -1.13 0.00 0.00 0.00 179.25 178.10 3kl8 n SER 145 N -5.06 -0.73 -1.72 0.00 3.41 -1.26 -3.11 113.62 105.14 3kl8 n SER 145 Ca -0.08 -2.31 -0.12 0.00 -0.26 0.00 0.00 58.87 56.11 3kl8 n SER 145 Cb 0.09 1.45 0.14 0.00 -0.26 0.00 0.00 64.21 65.63 3kl8 n SER 145 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3kl8 n LYS 146 N -0.39 2.10 -0.57 4.33 5.02 -1.26 -4.67 118.16 122.73 3kl8 n LYS 146 Ca 0.02 -1.95 -0.30 0.00 -2.02 0.00 0.00 58.31 54.06 3kl8 n LYS 146 Cb 0.39 -1.80 0.22 0.00 -0.02 0.00 0.00 35.03 33.82 3kl8 n LYS 146 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3kl8 n ALA 147 N -0.39 -3.14 -2.38 7.82 0.00 -1.26 -4.88 120.51 116.28 3kl8 n ALA 147 Ca 0.35 -1.14 -0.41 0.00 0.00 0.00 0.00 53.44 52.24 3kl8 n ALA 147 Cb 1.19 -1.85 0.01 0.00 0.00 0.00 0.00 19.45 18.79 3kl8 n ALA 147 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 3kl8 n LYS 148 N -3.85 4.79 0.00 0.00 3.00 -1.26 -3.70 118.16 117.13 3kl8 n LYS 148 Ca 0.03 -4.03 0.00 0.00 -0.00 0.00 0.00 58.31 54.31 3kl8 n LYS 148 Cb 0.56 -2.59 0.00 0.00 0.00 0.00 0.00 35.03 33.00 3kl8 n LYS 148 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3kl8 n GLY 149 N 1.15 0.00 3.35 3.14 0.00 -1.26 -5.15 105.19 106.42 3kl8 n GLY 149 Ca 0.50 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 46.12 3kl8 n GLY 149 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kl8 n ALA 150 N 0.00 -2.35 -1.68 4.61 0.00 -1.24 -4.92 120.51 114.93 3kl8 n ALA 150 Ca 0.00 0.06 -0.31 0.00 0.00 0.00 0.00 53.44 53.19 3kl8 n ALA 150 Cb 0.00 -1.59 0.04 0.00 0.00 0.00 0.00 19.45 17.90 3kl8 n ALA 150 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3kl8 s ALA 151 N -1.73 2.83 -0.06 0.00 0.00 -1.26 -4.79 121.76 116.75 3kl8 s ALA 151 Ca 0.61 0.03 0.03 0.00 0.00 0.00 0.00 51.96 52.63 3kl8 s ALA 151 Cb -0.56 -3.14 -0.02 0.00 0.00 0.00 0.00 23.12 19.40 3kl8 s ALA 151 CO 0.61 -1.03 -0.14 0.08 0.00 0.00 0.00 175.76 175.28 3kl8 s VAL 152 N -3.08 3.04 0.05 0.00 1.01 -1.26 -0.74 120.40 119.42 3kl8 s VAL 152 Ca 0.57 -0.72 0.08 0.00 0.00 0.00 0.00 61.98 61.91 3kl8 s VAL 152 Cb -0.13 -2.20 -0.03 0.00 0.00 0.00 0.00 36.38 34.02 3kl8 s VAL 152 CO 0.54 0.58 -0.22 -0.54 0.00 0.00 0.00 175.10 175.47 3kl8 s LYS 153 N -0.59 1.48 -0.08 2.72 -0.14 0.17 -4.49 119.74 118.80 3kl8 s LYS 153 Ca 0.08 -0.99 -0.13 0.00 -1.36 0.00 0.00 55.97 53.57 3kl8 s LYS 153 Cb -0.11 -1.61 -0.05 0.00 -1.68 0.00 0.00 37.83 34.37 3kl8 s LYS 153 CO 0.01 0.41 0.33 -1.17 -0.76 0.00 0.00 175.35 174.17 3kl8 s LEU 154 N -1.22 4.37 0.24 3.17 2.96 0.70 -0.43 118.68 128.46 3kl8 s LEU 154 Ca 0.08 0.71 -0.06 0.00 -0.22 0.00 0.00 54.13 54.65 3kl8 s LEU 154 Cb -0.09 -2.43 -0.02 0.00 0.50 0.00 0.00 46.19 44.15 3kl8 s LEU 154 CO 0.02 0.24 0.32 0.00 -1.32 0.00 0.00 176.35 175.61 3kl8 s ALA 155 N -0.42 0.53 -0.26 5.97 0.00 -0.86 -2.33 121.76 124.39 3kl8 s ALA 155 Ca 0.20 -1.33 -0.04 0.00 0.00 0.00 0.00 51.96 50.79 3kl8 s ALA 155 Cb -0.14 1.23 0.01 0.00 0.00 0.00 0.00 23.12 24.21 3kl8 s ALA 155 CO 0.08 -0.73 0.16 -3.47 0.00 0.00 0.00 175.76 171.81 3kl8 n ASP 156 N -0.47 -6.42 -1.93 0.00 2.03 -1.26 -4.86 116.55 103.65 3kl8 n ASP 156 Ca 0.00 0.81 -0.14 0.00 0.52 0.00 0.00 54.79 55.99 3kl8 n ASP 156 Cb 0.64 -4.21 0.23 0.00 -0.72 0.00 0.00 41.12 37.05 3kl8 n ASP 156 CO 0.00 0.00 0.00 0.49 -1.92 0.00 0.00 177.20 175.77 3kl8 n PHE 157 N 0.19 2.47 -0.32 -0.67 3.72 -1.26 -4.55 117.46 117.04 3kl8 n PHE 157 Ca 0.03 -1.57 0.13 0.00 -0.05 0.00 0.00 57.45 56.00 3kl8 n PHE 157 Cb 0.13 -0.77 0.36 0.00 -0.94 0.00 0.00 39.48 38.26 3kl8 n PHE 157 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 3kl8 h GLY 158 N 1.57 1.49 -1.47 1.37 0.00 -1.93 -1.46 103.07 102.64 3kl8 h GLY 158 Ca 0.43 -0.33 0.00 0.00 0.00 0.00 0.00 47.33 47.43 3kl8 h GLY 158 CO 0.84 0.01 -0.21 1.04 0.00 0.00 0.00 176.54 178.21 3kl8 n LEU 159 N -4.66 2.51 -4.61 3.11 4.77 -1.26 -4.98 117.00 111.89 3kl8 n LEU 159 Ca 0.21 -0.89 -0.39 0.00 -0.03 0.00 0.00 56.01 54.91 3kl8 n LEU 159 Cb 0.55 0.00 0.04 0.00 -2.33 0.00 0.00 43.42 41.69 3kl8 n LEU 159 CO 0.25 0.44 0.53 0.00 -1.33 0.00 0.00 177.39 177.29 3kl8 n ALA 160 N 0.71 0.14 -3.14 -1.18 0.00 -0.55 -4.73 120.51 111.75 3kl8 n ALA 160 Ca 0.11 0.06 -0.12 0.00 0.00 0.00 0.00 53.44 53.50 3kl8 n ALA 160 Cb 0.53 -2.09 -0.10 0.00 0.00 0.00 0.00 19.45 17.79 3kl8 n ALA 160 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.50 178.46 3kl8 s ILE 161 N -1.47 0.06 -0.12 0.00 -4.36 -0.87 -5.00 121.20 109.44 3kl8 s ILE 161 Ca 0.72 -0.50 -0.13 0.00 -0.26 0.00 0.00 60.65 60.48 3kl8 s ILE 161 Cb -0.45 -0.45 -0.05 0.00 1.25 0.00 0.00 42.46 42.76 3kl8 s ILE 161 CO 0.50 -0.27 0.29 -1.83 0.24 0.00 0.00 174.94 173.87 3kl8 s GLU 162 N -1.06 4.07 0.06 0.37 -1.05 -1.26 -1.67 118.70 118.17 3kl8 s GLU 162 Ca -0.11 0.12 -0.08 0.00 -0.15 0.00 0.00 54.97 54.75 3kl8 s GLU 162 Cb -0.06 -3.35 -0.00 0.00 -0.44 0.00 0.00 34.13 30.27 3kl8 s GLU 162 CO 0.02 0.40 0.16 0.14 0.95 0.00 0.00 175.26 176.93 3kl8 s VAL 163 N -0.04 0.14 0.53 1.83 -7.23 0.90 -5.01 120.40 111.50 3kl8 s VAL 163 Ca 0.18 -1.13 -0.03 0.00 -1.81 0.00 0.00 61.98 59.19 3kl8 s VAL 163 Cb -0.14 -1.14 0.11 0.00 0.56 0.00 0.00 36.38 35.78 3kl8 s VAL 163 CO 0.06 -0.62 0.72 -0.46 -0.31 0.00 0.00 175.10 174.48 3kl8 n ASN 164 N 0.34 0.66 0.00 4.85 0.23 -1.26 -4.58 115.26 115.50 3kl8 n ASN 164 Ca -0.17 -1.63 0.10 0.00 -0.53 0.00 0.00 54.58 52.35 3kl8 n ASN 164 Cb 0.60 -0.49 0.57 0.00 -2.08 0.00 0.00 39.78 38.38 3kl8 n ASN 164 CO 0.00 0.00 0.00 -0.90 -0.93 0.00 0.00 177.26 175.43 3kl8 n ASP 165 N -3.11 0.00 -4.66 0.53 5.68 -1.26 -4.75 116.55 108.98 3kl8 n ASP 165 Ca 0.11 -0.55 -0.38 0.00 -0.50 0.00 0.00 54.79 53.47 3kl8 n ASP 165 Cb 0.39 -0.03 -0.07 0.00 -1.14 0.00 0.00 41.12 40.26 3kl8 n ASP 165 CO 0.00 0.00 0.00 -0.44 -1.33 0.00 0.00 177.20 175.43 3kl8 s SER 166 N -2.07 6.44 0.26 -1.12 0.01 -1.26 -5.05 113.70 110.92 3kl8 s SER 166 Ca 0.28 0.52 -0.29 0.00 1.31 0.00 0.00 55.95 57.77 3kl8 s SER 166 Cb 0.13 -2.24 -0.09 0.00 0.21 0.00 0.00 66.02 64.03 3kl8 s SER 166 CO 0.24 -0.11 1.20 -1.61 0.41 0.00 0.00 173.24 173.37 3kl8 s GLU 167 N 1.45 4.50 0.00 12.44 2.02 -1.26 -4.95 118.70 132.91 3kl8 s GLU 167 Ca 0.19 1.96 0.00 0.00 0.02 0.00 0.00 54.97 57.14 3kl8 s GLU 167 Cb -0.15 -3.17 0.00 0.00 0.10 0.00 0.00 34.13 30.91 3kl8 s GLU 167 CO 0.08 -0.01 0.00 0.00 0.02 0.00 0.00 175.26 175.35 3kl8 n ALA 168 N 1.54 0.00 -3.62 5.21 0.00 -1.20 -4.86 120.51 117.58 3kl8 n ALA 168 Ca 0.01 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.13 3kl8 n ALA 168 Cb 0.44 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.81 3kl8 n ALA 168 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 177.50 179.37 3kl8 n TRP 169 N 0.00 3.70 -1.10 0.00 -0.00 -1.26 0.17 117.44 118.95 3kl8 n TRP 169 Ca 0.00 -4.07 -0.31 0.00 -0.00 0.00 0.00 57.50 53.12 3kl8 n TRP 169 Cb 0.00 -0.89 -0.04 0.00 -0.00 0.00 0.00 31.31 30.38 3kl8 n TRP 169 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 177.69 178.41 3kl8 n HIS 170 N 1.84 1.86 -2.16 5.87 8.25 -1.26 -4.88 115.22 124.74 3kl8 n HIS 170 Ca 0.23 -2.59 0.04 0.00 -0.26 0.00 0.00 57.72 55.14 3kl8 n HIS 170 Cb 0.37 -2.15 -0.01 0.00 1.12 0.00 0.00 29.99 29.31 3kl8 n HIS 170 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3kl8 n GLY 171 N 3.51 -1.97 2.72 -1.41 0.00 -1.26 -4.84 105.19 101.95 3kl8 n GLY 171 Ca 0.65 -1.36 -0.29 0.00 0.00 0.00 0.00 46.02 45.02 3kl8 n GLY 171 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3kl8 s PHE 172 N -0.78 1.22 0.21 1.61 5.36 -1.26 -5.09 117.98 119.25 3kl8 s PHE 172 Ca 0.00 -1.17 -0.22 0.00 -0.96 0.00 0.00 56.93 54.58 3kl8 s PHE 172 Cb 0.00 -1.25 0.05 0.00 -0.34 0.00 0.00 43.02 41.47 3kl8 s PHE 172 CO 0.00 -0.72 0.63 0.00 -1.46 0.00 0.00 175.22 173.67 3kl8 s ALA 173 N 1.79 -1.39 0.00 11.12 0.00 -1.26 -5.16 121.76 126.86 3kl8 s ALA 173 Ca 0.03 0.12 0.00 0.00 0.00 0.00 0.00 51.96 52.11 3kl8 s ALA 173 Cb -0.17 0.87 0.00 0.00 0.00 0.00 0.00 23.12 23.82 3kl8 s ALA 173 CO -0.16 -0.87 0.00 0.41 0.00 0.00 0.00 175.76 175.14 3kl8 n GLY 174 N -0.40 1.80 3.70 0.00 0.00 -1.26 -4.86 105.19 104.17 3kl8 n GLY 174 Ca -0.12 -1.98 -0.38 0.00 0.00 0.00 0.00 46.02 43.54 3kl8 n GLY 174 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3kl8 s THR 175 N -1.40 5.16 -0.25 2.61 2.01 -1.26 -4.98 115.64 117.53 3kl8 s THR 175 Ca 0.00 0.93 -0.29 0.00 0.31 0.00 0.00 61.69 62.65 3kl8 s THR 175 Cb 0.00 -3.82 -0.03 0.00 0.01 0.00 0.00 72.50 68.66 3kl8 s THR 175 CO 0.00 0.27 1.89 -2.84 -0.69 0.00 0.00 174.62 173.25 3kl8 s PRO 176 N 0.99 3.44 0.00 4.92 0.02 -1.26 -1.59 135.00 141.53 3kl8 s PRO 176 Ca 0.25 1.73 0.00 0.00 0.02 0.00 0.00 61.00 63.00 3kl8 s PRO 176 Cb -0.15 -4.21 0.00 0.00 0.02 0.00 0.00 34.50 30.16 3kl8 s PRO 176 CO 0.10 -1.73 0.00 0.41 -0.33 0.00 0.00 177.00 175.44 3kl8 n GLY 177 N 5.29 2.52 0.04 0.52 0.00 -1.26 -4.88 105.19 107.42 3kl8 n GLY 177 Ca 0.24 -0.34 0.06 0.00 0.00 0.00 0.00 46.02 45.98 3kl8 n GLY 177 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3kl8 n TYR 178 N 0.00 0.00 -1.69 1.61 4.01 -0.62 -4.79 117.16 115.68 3kl8 n TYR 178 Ca 0.00 0.00 -0.39 0.00 -0.16 0.00 0.00 57.90 57.35 3kl8 n TYR 178 Cb 0.00 0.00 0.04 0.00 -0.31 0.00 0.00 39.34 39.07 3kl8 n TYR 178 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 3kl8 n LEU 179 N -1.14 4.64 -4.86 7.72 4.77 -1.02 -4.25 117.00 122.85 3kl8 n LEU 179 Ca 0.03 0.93 -0.32 0.00 -0.03 0.00 0.00 56.01 56.62 3kl8 n LEU 179 Cb 0.21 -1.49 -0.06 0.00 -2.33 0.00 0.00 43.42 39.75 3kl8 n LEU 179 CO 0.25 -1.07 0.30 -0.94 -1.33 0.00 0.00 177.39 174.60 3kl8 s SER 180 N -0.99 6.69 0.17 -1.43 1.04 -1.26 -4.99 113.70 112.93 3kl8 s SER 180 Ca 0.72 1.07 -0.16 0.00 0.48 0.00 0.00 55.95 58.05 3kl8 s SER 180 Cb -0.44 -2.28 0.11 0.00 0.10 0.00 0.00 66.02 63.51 3kl8 s SER 180 CO 0.49 -0.12 1.68 -0.65 0.98 0.00 0.00 173.24 175.62 3kl8 h PRO 181 N 2.46 0.05 -0.37 4.02 0.11 -1.89 -1.92 132.00 134.45 3kl8 h PRO 181 Ca -0.47 -0.00 0.11 0.00 0.11 0.00 0.00 66.00 65.74 3kl8 h PRO 181 Cb 1.17 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.26 3kl8 h PRO 181 CO 0.68 0.03 0.33 1.05 -0.21 0.00 0.00 178.00 179.88 3kl8 h GLU 182 N 0.05 0.00 0.00 1.05 9.09 -1.95 -0.22 114.58 122.60 3kl8 h GLU 182 Ca 0.20 0.00 -0.22 0.00 0.05 0.00 0.00 59.36 59.39 3kl8 h GLU 182 Cb 0.30 0.00 -0.03 0.00 -1.65 0.00 0.00 28.75 27.37 3kl8 h GLU 182 CO -0.39 0.00 -1.24 0.28 0.05 0.00 0.00 179.01 177.71 3kl8 h VAL 183 N 0.00 1.12 0.00 -1.06 2.07 -1.64 -0.40 116.25 116.34 3kl8 h VAL 183 Ca 0.18 -2.81 -0.06 0.00 0.82 0.00 0.00 66.70 64.83 3kl8 h VAL 183 Cb 0.84 2.52 -0.01 0.00 -1.52 0.00 0.00 31.29 33.13 3kl8 h VAL 183 CO -0.00 0.64 -0.30 -0.07 0.02 0.00 0.00 177.57 177.86 3kl8 h LEU 184 N 0.00 0.00 -1.24 2.57 3.38 -0.78 -2.87 115.31 116.37 3kl8 h LEU 184 Ca -0.13 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.84 3kl8 h LEU 184 Cb 1.78 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.53 3kl8 h LEU 184 CO 0.09 0.30 0.00 0.29 0.09 0.00 0.00 178.44 179.21 3kl8 n LYS 185 N -3.22 1.82 -2.03 1.13 5.02 -0.46 -4.87 118.16 115.55 3kl8 n LYS 185 Ca 0.02 -1.12 -0.08 0.00 -2.02 0.00 0.00 58.31 55.11 3kl8 n LYS 185 Cb 0.61 -1.31 -0.02 0.00 -0.02 0.00 0.00 35.03 34.29 3kl8 n LYS 185 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3kl8 n LYS 186 N 0.38 -2.02 -1.51 1.97 4.76 -1.08 -4.93 118.16 115.72 3kl8 n LYS 186 Ca 0.10 0.43 -0.29 0.00 -2.87 0.00 0.00 58.31 55.69 3kl8 n LYS 186 Cb 0.30 -4.86 0.17 0.00 -1.84 0.00 0.00 35.03 28.80 3kl8 n LYS 186 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 3kl8 s ASP 187 N -1.91 2.91 0.24 4.39 1.01 -0.16 -5.02 116.67 118.14 3kl8 s ASP 187 Ca 0.00 0.78 -0.28 0.00 0.71 0.00 0.00 52.55 53.76 3kl8 s ASP 187 Cb 0.00 -1.20 -0.09 0.00 1.01 0.00 0.00 42.92 42.64 3kl8 s ASP 187 CO 0.00 -2.91 0.91 -2.84 0.21 0.00 0.00 175.17 170.55 3kl8 s PRO 188 N -5.40 4.76 0.27 8.23 0.02 -1.26 -4.69 135.00 136.93 3kl8 s PRO 188 Ca 0.67 1.40 0.02 0.00 0.02 0.00 0.00 61.00 63.11 3kl8 s PRO 188 Cb -0.12 -3.19 -0.05 0.00 0.02 0.00 0.00 34.50 31.16 3kl8 s PRO 188 CO 0.54 0.49 0.07 1.52 -0.33 0.00 0.00 177.00 179.28 3kl8 s TYR 189 N -1.25 1.66 0.00 6.54 -0.85 0.13 -4.76 117.35 118.81 3kl8 s TYR 189 Ca 0.42 -1.07 0.00 0.00 -0.52 0.00 0.00 57.07 55.90 3kl8 s TYR 189 Cb -0.24 -1.01 0.00 0.00 0.38 0.00 0.00 41.96 41.09 3kl8 s TYR 189 CO 0.30 -0.18 0.00 0.45 -1.52 0.00 0.00 175.55 174.59 3kl8 n SER 190 N -0.52 0.30 -0.31 -0.18 2.88 -1.26 -3.22 113.62 111.31 3kl8 n SER 190 Ca -0.02 0.00 0.07 0.00 -1.33 0.00 0.00 58.87 57.59 3kl8 n SER 190 Cb 0.66 0.00 0.17 0.00 -0.75 0.00 0.00 64.21 64.29 3kl8 n SER 190 CO 0.00 0.00 0.00 0.11 -1.23 0.00 0.00 175.04 173.92 3kl8 h LYS 191 N 0.00 0.02 0.00 -1.46 1.57 -1.96 -2.71 116.57 112.04 3kl8 h LYS 191 Ca 0.00 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3kl8 h LYS 191 Cb 0.00 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.30 3kl8 h LYS 191 CO 0.00 0.02 0.00 -2.30 -0.57 0.00 0.00 179.45 176.60 3kl8 n PRO 192 N -5.50 0.00 0.23 3.15 -0.02 -1.26 -1.49 135.00 130.11 3kl8 n PRO 192 Ca 0.16 0.40 0.15 0.00 -2.02 0.00 0.00 63.50 62.19 3kl8 n PRO 192 Cb 0.53 -1.50 0.82 0.00 -0.02 0.00 0.00 33.50 33.33 3kl8 n PRO 192 CO 0.00 0.00 0.00 -0.39 1.98 0.00 0.00 175.50 177.09 3kl8 h VAL 193 N 0.00 0.59 0.09 -1.45 -1.51 -1.90 -2.13 116.25 109.94 3kl8 h VAL 193 Ca 0.00 0.00 -0.14 0.00 -1.23 0.00 0.00 66.70 65.33 3kl8 h VAL 193 Cb 0.00 0.91 0.02 0.00 -2.13 0.00 0.00 31.29 30.09 3kl8 h VAL 193 CO 0.00 0.00 -0.60 0.44 -1.23 0.00 0.00 177.57 176.18 3kl8 h ASP 194 N 0.00 0.38 -0.51 4.19 3.45 -1.53 -2.99 116.42 119.41 3kl8 h ASP 194 Ca 0.05 -0.92 0.13 0.00 0.43 0.00 0.00 57.03 56.72 3kl8 h ASP 194 Cb 0.28 -0.12 -0.02 0.00 -0.56 0.00 0.00 39.33 38.90 3kl8 h ASP 194 CO -0.00 1.27 0.36 0.40 -1.57 0.00 0.00 179.24 179.70 3kl8 h ILE 195 N -0.45 0.80 0.04 0.35 1.08 -1.63 0.31 117.51 118.01 3kl8 h ILE 195 Ca -0.10 -0.04 -0.00 0.00 -0.39 0.00 0.00 64.86 64.33 3kl8 h ILE 195 Cb 1.44 0.67 0.00 0.00 -3.07 0.00 0.00 36.82 35.86 3kl8 h ILE 195 CO 0.11 0.02 -0.02 -0.25 -0.69 0.00 0.00 178.15 177.32 3kl8 h TRP 196 N 0.12 -0.06 -0.77 1.37 2.91 -1.34 -2.51 115.95 115.67 3kl8 h TRP 196 Ca 0.24 -0.00 0.13 0.00 1.13 0.00 0.00 58.89 60.39 3kl8 h TRP 196 Cb 0.81 0.02 -0.09 0.00 -0.51 0.00 0.00 29.16 29.39 3kl8 h TRP 196 CO -0.00 0.11 0.35 0.00 -1.03 0.00 0.00 178.44 177.87 3kl8 h ALA 197 N 0.73 1.10 0.05 2.65 0.00 -0.84 -2.07 119.26 120.89 3kl8 h ALA 197 Ca -0.01 0.09 0.03 0.00 0.00 0.00 0.00 54.91 55.02 3kl8 h ALA 197 Cb 0.19 0.03 -0.05 0.00 0.00 0.00 0.00 17.79 17.96 3kl8 h ALA 197 CO 0.01 -0.14 -0.35 0.00 0.00 0.00 0.00 179.25 178.77 3kl8 h GLY 199 N -0.54 1.86 0.89 0.00 0.00 -0.96 0.70 103.07 105.03 3kl8 h GLY 199 Ca 0.04 -0.27 -0.01 0.00 0.00 0.00 0.00 47.33 47.10 3kl8 h GLY 199 CO -0.25 -0.32 -0.06 -2.08 0.00 0.00 0.00 176.54 173.83 3kl8 h VAL 200 N 0.46 0.94 0.68 4.60 2.07 -0.76 -0.54 116.25 123.70 3kl8 h VAL 200 Ca 0.68 -0.24 -0.03 0.00 0.82 0.00 0.00 66.70 67.93 3kl8 h VAL 200 Cb 1.46 1.09 0.01 0.00 -1.52 0.00 0.00 31.29 32.32 3kl8 h VAL 200 CO -0.49 0.06 -0.33 0.40 0.02 0.00 0.00 177.57 177.22 3kl8 h ILE 201 N -0.28 0.00 -1.22 4.57 2.04 0.97 -0.22 117.51 123.38 3kl8 h ILE 201 Ca -0.02 -0.12 0.35 0.00 1.00 0.00 0.00 64.86 66.08 3kl8 h ILE 201 Cb 0.22 0.00 -0.05 0.00 -0.74 0.00 0.00 36.82 36.25 3kl8 h ILE 201 CO 0.03 0.00 0.87 0.25 0.00 0.00 0.00 178.15 179.30 3kl8 h LEU 202 N -1.04 0.04 -0.15 1.44 5.85 0.11 0.67 115.31 122.23 3kl8 h LEU 202 Ca -0.09 0.01 -0.05 0.00 0.84 0.00 0.00 57.88 58.59 3kl8 h LEU 202 Cb 0.70 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.73 3kl8 h LEU 202 CO 0.15 0.00 -0.10 0.22 -0.34 0.00 0.00 178.44 178.38 3kl8 h TYR 203 N 0.03 0.40 0.28 1.25 5.03 -0.37 -3.13 116.97 120.47 3kl8 h TYR 203 Ca 0.59 -0.11 -0.01 0.00 2.58 0.00 0.00 58.73 61.78 3kl8 h TYR 203 Cb 2.29 -0.09 0.00 0.00 1.55 0.00 0.00 36.73 40.48 3kl8 h TYR 203 CO -0.00 0.68 -0.14 0.82 -1.32 0.00 0.00 178.16 178.20 3kl8 h ILE 204 N -0.00 0.72 -0.90 1.81 2.04 0.20 -2.95 117.51 118.43 3kl8 h ILE 204 Ca 0.03 0.00 0.19 0.00 1.00 0.00 0.00 64.86 66.08 3kl8 h ILE 204 Cb 0.59 0.72 -0.17 0.00 -0.74 0.00 0.00 36.82 37.22 3kl8 h ILE 204 CO 0.03 0.00 -0.19 -0.07 0.00 0.00 0.00 178.15 177.92 3kl8 h LEU 205 N -0.38 -0.77 -1.39 1.44 3.38 -1.05 1.86 115.31 118.40 3kl8 h LEU 205 Ca -0.04 0.27 -0.05 0.00 0.09 0.00 0.00 57.88 58.15 3kl8 h LEU 205 Cb 0.30 0.54 -0.01 0.00 0.09 0.00 0.00 40.66 41.58 3kl8 h LEU 205 CO 0.06 -0.30 -0.24 -0.07 0.09 0.00 0.00 178.44 177.99 3kl8 h LEU 206 N 0.01 0.00 0.00 1.67 3.38 -1.46 0.89 115.31 119.80 3kl8 h LEU 206 Ca 0.45 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.42 3kl8 h LEU 206 Cb 0.72 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.47 3kl8 h LEU 206 CO -0.91 0.24 -0.10 1.33 0.09 0.00 0.00 178.44 179.08 3kl8 n VAL 207 N -3.61 0.00 -0.75 1.22 0.24 0.46 -4.70 118.33 111.18 3kl8 n VAL 207 Ca -0.01 -0.08 0.00 0.00 -2.04 0.00 0.00 64.34 62.21 3kl8 n VAL 207 Cb 0.37 0.66 0.00 0.00 -1.47 0.00 0.00 33.84 33.40 3kl8 n VAL 207 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3kl8 n GLY 208 N 0.41 1.29 3.58 7.63 0.00 0.60 -4.87 105.19 113.83 3kl8 n GLY 208 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 3kl8 n GLY 208 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3kl8 s TYR 209 N -3.67 2.53 0.69 1.61 -0.85 -1.26 -5.01 117.35 111.38 3kl8 s TYR 209 Ca 0.00 -0.27 -0.11 0.00 -0.52 0.00 0.00 57.07 56.17 3kl8 s TYR 209 Cb 0.00 -1.12 0.00 0.00 0.38 0.00 0.00 41.96 41.22 3kl8 s TYR 209 CO 0.00 0.66 1.07 -2.14 -1.52 0.00 0.00 175.55 173.62 3kl8 s PRO 210 N -3.61 3.03 -0.09 -3.49 0.02 -1.26 -4.14 135.00 125.45 3kl8 s PRO 210 Ca 0.31 0.63 -0.21 0.00 0.02 0.00 0.00 61.00 61.75 3kl8 s PRO 210 Cb -0.06 -2.03 -0.18 0.00 0.02 0.00 0.00 34.50 32.26 3kl8 s PRO 210 CO 0.18 -0.95 0.72 -1.35 -0.33 0.00 0.00 177.00 175.26 3kl8 h PRO 211 N -0.60 -0.07 -5.20 5.54 0.11 -1.93 -3.44 132.00 126.40 3kl8 h PRO 211 Ca -0.45 0.00 -0.63 0.00 0.11 0.00 0.00 66.00 65.03 3kl8 h PRO 211 Cb 1.23 0.02 -0.20 0.00 0.11 0.00 0.00 31.00 32.16 3kl8 h PRO 211 CO 0.62 0.52 -0.62 -0.06 -0.21 0.00 0.00 178.00 178.25 3kl8 s PHE 212 N -2.69 3.12 -0.29 0.65 2.99 -1.26 -4.77 117.98 115.73 3kl8 s PHE 212 Ca -0.13 -0.21 -0.17 0.00 0.00 0.00 0.00 56.93 56.41 3kl8 s PHE 212 Cb -0.01 -2.08 0.12 0.00 0.00 0.00 0.00 43.02 41.06 3kl8 s PHE 212 CO 0.50 -0.06 0.90 -0.46 -0.00 0.00 0.00 175.22 176.09 3kl8 s TRP 213 N 0.71 -0.70 0.11 0.36 -0.00 -1.26 -4.91 118.94 113.25 3kl8 s TRP 213 Ca 0.01 1.43 -0.05 0.00 -0.00 0.00 0.00 56.10 57.50 3kl8 s TRP 213 Cb -0.14 0.42 -0.02 0.00 -0.00 0.00 0.00 33.47 33.73 3kl8 s TRP 213 CO 0.02 -0.34 0.13 0.34 -0.00 0.00 0.00 176.95 177.10 3kl8 s ASP 214 N 1.26 0.23 0.24 5.86 -1.08 -1.26 -4.97 116.67 116.94 3kl8 s ASP 214 Ca -0.08 -0.93 -0.07 0.00 -0.52 0.00 0.00 52.55 50.95 3kl8 s ASP 214 Cb -0.04 0.32 0.25 0.00 -1.46 0.00 0.00 42.92 41.99 3kl8 s ASP 214 CO -0.15 -0.75 1.89 -0.33 0.52 0.00 0.00 175.17 176.36 3kl8 h GLU 215 N 2.81 1.13 -5.35 4.34 4.39 -2.02 -3.41 114.58 116.46 3kl8 h GLU 215 Ca -0.34 -0.07 -0.61 0.00 0.34 0.00 0.00 59.36 58.68 3kl8 h GLU 215 Cb 1.19 -0.25 -0.13 0.00 -0.10 0.00 0.00 28.75 29.46 3kl8 h GLU 215 CO 0.57 0.75 -0.09 0.34 -1.16 0.00 0.00 179.01 179.41 3kl8 s ASP 216 N -5.95 6.42 0.27 1.42 2.15 -1.26 -4.97 116.67 114.74 3kl8 s ASP 216 Ca -0.13 0.50 -0.00 0.00 0.43 0.00 0.00 52.55 53.35 3kl8 s ASP 216 Cb 0.17 -2.26 0.60 0.00 -0.30 0.00 0.00 42.92 41.14 3kl8 s ASP 216 CO 0.80 -0.22 1.69 -0.61 -0.17 0.00 0.00 175.17 176.67 3kl8 h GLN 217 N 7.86 0.33 -0.08 4.34 4.15 -2.00 -1.32 115.11 128.39 3kl8 h GLN 217 Ca -0.31 -0.02 -0.18 0.00 0.77 0.00 0.00 58.65 58.91 3kl8 h GLN 217 Cb 1.15 -0.08 0.01 0.00 0.21 0.00 0.00 27.48 28.78 3kl8 h GLN 217 CO 0.70 0.22 -0.65 0.45 -1.93 0.00 0.00 178.83 177.62 3kl8 h HIS 218 N 0.34 0.81 -1.17 3.99 3.86 -1.95 -1.54 115.15 119.50 3kl8 h HIS 218 Ca 0.49 -0.38 0.33 0.00 -1.16 0.00 0.00 60.37 59.65 3kl8 h HIS 218 Cb 0.89 -0.11 -0.09 0.00 1.06 0.00 0.00 27.41 29.16 3kl8 h HIS 218 CO -0.20 1.19 0.78 0.00 0.86 0.00 0.00 177.93 180.56 3kl8 h ARG 219 N 0.20 0.22 0.09 2.45 2.47 -1.68 -1.56 114.38 116.57 3kl8 h ARG 219 Ca -0.06 -0.01 -0.00 0.00 -1.26 0.00 0.00 59.98 58.64 3kl8 h ARG 219 Cb 1.31 -0.05 0.00 0.00 -1.65 0.00 0.00 29.97 29.58 3kl8 h ARG 219 CO 0.13 0.14 -0.04 1.25 0.56 0.00 0.00 179.97 182.01 3kl8 h LEU 220 N 0.22 -0.10 -1.25 3.04 5.85 -0.54 -2.67 115.31 119.86 3kl8 h LEU 220 Ca 0.66 0.00 0.40 0.00 0.84 0.00 0.00 57.88 59.78 3kl8 h LEU 220 Cb 2.00 0.03 -0.14 0.00 0.37 0.00 0.00 40.66 42.92 3kl8 h LEU 220 CO -0.26 -0.00 0.73 1.88 -0.34 0.00 0.00 178.44 180.45 3kl8 h TYR 221 N -0.27 0.66 0.30 1.25 0.05 -1.15 0.66 116.97 118.48 3kl8 h TYR 221 Ca -0.01 0.03 0.00 0.00 0.05 0.00 0.00 58.73 58.80 3kl8 h TYR 221 Cb 0.09 -0.16 -0.02 0.00 1.01 0.00 0.00 36.73 37.65 3kl8 h TYR 221 CO 0.07 -0.24 -0.32 0.00 -1.05 0.00 0.00 178.16 176.61 3kl8 h ALA 222 N 1.73 -0.67 -0.86 3.88 0.00 -1.31 0.98 119.26 123.00 3kl8 h ALA 222 Ca 0.80 -0.10 0.08 0.00 0.00 0.00 0.00 54.91 55.69 3kl8 h ALA 222 Cb 2.30 0.47 -0.07 0.00 0.00 0.00 0.00 17.79 20.49 3kl8 h ALA 222 CO -0.52 -0.91 0.51 0.37 0.00 0.00 0.00 179.25 178.70 3kl8 h GLN 223 N -0.66 0.86 0.69 0.00 4.15 0.62 -0.03 115.11 120.75 3kl8 h GLN 223 Ca -0.01 -0.05 -0.03 0.00 0.77 0.00 0.00 58.65 59.32 3kl8 h GLN 223 Cb 0.61 -0.19 0.01 0.00 0.21 0.00 0.00 27.48 28.11 3kl8 h GLN 223 CO -0.07 0.57 -0.33 0.82 -1.93 0.00 0.00 178.83 177.89 3kl8 h ILE 224 N 0.89 0.00 -1.03 2.39 2.04 -0.79 -0.39 117.51 120.62 3kl8 h ILE 224 Ca 0.40 -0.08 0.26 0.00 1.00 0.00 0.00 64.86 66.44 3kl8 h ILE 224 Cb 0.29 0.00 -0.10 0.00 -0.74 0.00 0.00 36.82 36.27 3kl8 h ILE 224 CO -0.22 0.00 0.65 0.11 0.00 0.00 0.00 178.15 178.69 3kl8 h LYS 225 N -1.01 0.44 0.00 2.37 1.57 -0.60 0.38 116.57 119.72 3kl8 h LYS 225 Ca -0.10 -0.03 -0.07 0.00 -1.87 0.00 0.00 60.65 58.58 3kl8 h LYS 225 Cb 0.71 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.91 3kl8 h LYS 225 CO 0.16 0.29 -0.35 0.00 -0.57 0.00 0.00 179.45 178.98 3kl8 h ALA 226 N 1.65 1.09 -0.01 3.86 0.00 -0.89 -3.47 119.26 121.49 3kl8 h ALA 226 Ca 0.61 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 55.20 3kl8 h ALA 226 Cb 1.41 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.15 3kl8 h ALA 226 CO -0.35 0.44 0.00 0.41 0.00 0.00 0.00 179.25 179.75 3kl8 n GLY 227 N 0.01 0.75 3.45 0.00 0.00 0.13 -5.00 105.19 104.53 3kl8 n GLY 227 Ca -0.01 -0.68 -0.44 0.00 0.00 0.00 0.00 46.02 44.89 3kl8 n GLY 227 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kl8 s ALA 228 N -2.01 3.50 0.05 4.61 0.00 -0.20 -4.96 121.76 122.75 3kl8 s ALA 228 Ca 0.00 -2.89 -0.01 0.00 0.00 0.00 0.00 51.96 49.06 3kl8 s ALA 228 Cb 0.00 -4.03 -0.04 0.00 0.00 0.00 0.00 23.12 19.05 3kl8 s ALA 228 CO 0.00 -2.91 -0.02 1.52 0.00 0.00 0.00 175.76 174.34 3kl8 s TYR 229 N 2.38 0.49 0.34 0.00 1.13 -1.26 -4.75 117.35 115.68 3kl8 s TYR 229 Ca 0.33 -1.03 -0.01 0.00 -1.41 0.00 0.00 57.07 54.96 3kl8 s TYR 229 Cb -0.05 -0.37 -0.00 0.00 -1.10 0.00 0.00 41.96 40.44 3kl8 s TYR 229 CO -0.08 -0.38 0.44 0.16 -2.51 0.00 0.00 175.55 173.18 3kl8 s ASP 230 N -2.86 1.02 -0.74 -0.18 -4.77 -1.26 -5.10 116.67 102.78 3kl8 s ASP 230 Ca 0.06 -1.52 0.04 0.00 -3.30 0.00 0.00 52.55 47.82 3kl8 s ASP 230 Cb 0.07 0.64 0.21 0.00 -1.09 0.00 0.00 42.92 42.76 3kl8 s ASP 230 CO -0.10 -1.26 0.68 -1.22 0.70 0.00 0.00 175.17 173.98 3kl8 n TYR 231 N -0.57 3.52 -1.85 2.11 0.53 -1.26 -5.06 117.16 114.58 3kl8 n TYR 231 Ca 0.02 -4.15 -0.41 0.00 -1.02 0.00 0.00 57.90 52.34 3kl8 n TYR 231 Cb 0.62 -0.72 -0.01 0.00 -1.03 0.00 0.00 39.34 38.20 3kl8 n TYR 231 CO 0.00 0.00 0.00 -2.14 -1.02 0.00 0.00 176.86 173.70 3kl8 s PRO 232 N -1.88 4.15 0.46 -0.72 0.02 -1.26 -4.67 135.00 131.10 3kl8 s PRO 232 Ca 0.31 2.52 -0.16 0.00 0.02 0.00 0.00 61.00 63.69 3kl8 s PRO 232 Cb 0.02 -3.00 -0.08 0.00 0.02 0.00 0.00 34.50 31.47 3kl8 s PRO 232 CO -0.10 -0.50 0.91 -1.12 -0.33 0.00 0.00 177.00 175.86 3kl8 s SER 233 N -0.07 6.66 0.02 2.53 0.01 -1.26 -2.59 113.70 119.00 3kl8 s SER 233 Ca 0.54 1.46 0.23 0.00 1.31 0.00 0.00 55.95 59.49 3kl8 s SER 233 Cb -0.46 -2.46 0.09 0.00 0.21 0.00 0.00 66.02 63.41 3kl8 s SER 233 CO 0.59 -0.48 1.08 -0.81 0.41 0.00 0.00 173.24 174.03 3kl8 n PRO 234 N -1.27 0.16 -0.29 12.44 -0.05 -1.26 -4.90 135.00 139.84 3kl8 n PRO 234 Ca 0.05 -0.01 -0.05 0.00 -0.05 0.00 0.00 63.50 63.45 3kl8 n PRO 234 Cb 0.54 -1.55 0.00 0.00 -0.05 0.00 0.00 33.50 32.44 3kl8 n PRO 234 CO 0.00 0.00 0.00 1.05 -0.05 0.00 0.00 175.50 176.50 3kl8 h GLU 235 N 0.00 -0.10 0.00 0.54 9.09 -1.95 0.19 114.58 122.35 3kl8 h GLU 235 Ca 0.00 0.01 0.00 0.00 0.05 0.00 0.00 59.36 59.42 3kl8 h GLU 235 Cb 0.63 0.02 0.00 0.00 -1.65 0.00 0.00 28.75 27.75 3kl8 h GLU 235 CO 0.00 -0.07 0.00 0.91 0.05 0.00 0.00 179.01 179.90 3kl8 n TRP 236 N -5.43 0.32 0.31 2.06 7.02 -1.07 -3.39 117.44 117.27 3kl8 n TRP 236 Ca 0.06 0.11 0.19 0.00 -1.02 0.00 0.00 57.50 56.83 3kl8 n TRP 236 Cb 0.36 -0.67 0.99 0.00 -2.42 0.00 0.00 31.31 29.57 3kl8 n TRP 236 CO 0.00 0.00 0.00 -0.44 -2.02 0.00 0.00 177.69 175.23 3kl8 h ASP 237 N 0.00 0.00 -0.07 -0.99 3.32 -0.86 -2.55 116.42 115.26 3kl8 h ASP 237 Ca 0.00 0.00 -0.11 0.00 0.02 0.00 0.00 57.03 56.94 3kl8 h ASP 237 Cb 0.47 0.00 -0.17 0.00 0.22 0.00 0.00 39.33 39.85 3kl8 h ASP 237 CO 0.00 0.00 -0.72 0.35 -1.72 0.00 0.00 179.24 177.15 3kl8 n THR 238 N -3.16 1.51 -4.05 0.35 -2.24 -1.22 -4.99 114.28 100.49 3kl8 n THR 238 Ca -0.02 -2.61 -0.34 0.00 -2.27 0.00 0.00 64.05 58.81 3kl8 n THR 238 Cb 0.24 0.14 -0.10 0.00 -2.10 0.00 0.00 70.33 68.51 3kl8 n THR 238 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3kl8 s VAL 239 N -2.36 4.69 0.18 2.28 1.01 -0.96 -5.06 120.40 120.18 3kl8 s VAL 239 Ca 0.37 -0.07 -0.33 0.00 0.00 0.00 0.00 61.98 61.95 3kl8 s VAL 239 Cb 0.38 -3.11 -0.14 0.00 0.00 0.00 0.00 36.38 33.51 3kl8 s VAL 239 CO -0.09 0.47 1.53 0.35 0.00 0.00 0.00 175.10 177.36 3kl8 n THR 240 N 3.52 0.25 -0.35 3.92 -2.24 -1.26 -4.82 114.28 113.30 3kl8 n THR 240 Ca -0.17 -0.06 0.15 0.00 -2.27 0.00 0.00 64.05 61.70 3kl8 n THR 240 Cb 0.52 -1.52 0.35 0.00 -2.10 0.00 0.00 70.33 67.59 3kl8 n THR 240 CO 0.00 0.00 0.00 -0.65 -0.57 0.00 0.00 175.07 173.85 3kl8 h PRO 241 N 5.46 0.64 -0.79 -0.78 0.11 -1.97 0.20 132.00 134.88 3kl8 h PRO 241 Ca -0.45 -0.04 0.23 0.00 0.11 0.00 0.00 66.00 65.85 3kl8 h PRO 241 Cb 1.26 -0.14 -0.03 0.00 0.11 0.00 0.00 31.00 32.19 3kl8 h PRO 241 CO 0.85 0.43 0.67 0.93 -0.21 0.00 0.00 178.00 180.67 3kl8 h GLU 242 N 0.66 0.00 0.15 1.05 3.07 -1.99 0.22 114.58 117.74 3kl8 h GLU 242 Ca 0.61 0.00 -0.29 0.00 -0.50 0.00 0.00 59.36 59.18 3kl8 h GLU 242 Cb 1.07 0.00 0.01 0.00 -0.84 0.00 0.00 28.75 28.99 3kl8 h GLU 242 CO -0.43 0.00 -1.46 0.00 -1.40 0.00 0.00 179.01 175.71 3kl8 h ALA 243 N 1.40 0.12 0.53 3.43 0.00 -0.93 -2.95 119.26 120.86 3kl8 h ALA 243 Ca 0.38 -1.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.21 3kl8 h ALA 243 Cb 1.72 0.42 0.01 0.00 0.00 0.00 0.00 17.79 19.93 3kl8 h ALA 243 CO -0.00 0.83 -0.26 0.87 0.00 0.00 0.00 179.25 180.69 3kl8 h LYS 244 N -0.16 -0.69 -0.99 0.00 1.57 -0.87 -2.43 116.57 113.00 3kl8 h LYS 244 Ca -0.30 0.05 0.33 0.00 -1.87 0.00 0.00 60.65 58.86 3kl8 h LYS 244 Cb 1.88 0.16 -0.15 0.00 0.08 0.00 0.00 32.23 34.19 3kl8 h LYS 244 CO 0.12 -0.45 0.53 1.03 -0.57 0.00 0.00 179.45 180.11 3kl8 h SER 245 N -0.75 0.43 -0.02 0.86 0.87 -0.77 0.56 113.55 114.73 3kl8 h SER 245 Ca -0.07 0.20 -0.12 0.00 -1.23 0.00 0.00 61.79 60.57 3kl8 h SER 245 Cb 0.56 0.17 -0.01 0.00 -0.44 0.00 0.00 62.40 62.68 3kl8 h SER 245 CO 0.12 -0.18 -0.37 0.25 -0.53 0.00 0.00 176.83 176.12 3kl8 h LEU 246 N 0.27 0.54 0.19 2.23 5.85 -1.29 -1.96 115.31 121.13 3kl8 h LEU 246 Ca 0.74 -0.23 -0.01 0.00 0.84 0.00 0.00 57.88 59.22 3kl8 h LEU 246 Cb 1.70 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 42.59 3kl8 h LEU 246 CO -0.64 0.86 -0.09 0.40 -0.34 0.00 0.00 178.44 178.64 3kl8 h ILE 247 N 0.43 0.91 -1.18 4.05 2.04 0.17 -2.92 117.51 121.02 3kl8 h ILE 247 Ca 0.04 -0.77 0.39 0.00 1.00 0.00 0.00 64.86 65.53 3kl8 h ILE 247 Cb 0.85 1.35 -0.14 0.00 -0.74 0.00 0.00 36.82 38.14 3kl8 h ILE 247 CO 0.07 0.17 0.72 0.44 0.00 0.00 0.00 178.15 179.55 3kl8 h ASP 248 N -0.65 0.33 1.06 1.72 3.32 0.01 0.75 116.42 122.96 3kl8 h ASP 248 Ca -0.03 0.16 0.00 0.00 0.02 0.00 0.00 57.03 57.19 3kl8 h ASP 248 Cb 0.47 0.14 0.00 0.00 0.22 0.00 0.00 39.33 40.16 3kl8 h ASP 248 CO 0.04 -0.19 -0.37 -1.54 -1.72 0.00 0.00 179.24 175.46 3kl8 n SER 249 N -4.86 0.69 -0.03 6.45 3.41 -0.75 -2.17 113.62 116.37 3kl8 n SER 249 Ca 0.35 0.27 -0.14 0.00 -0.26 0.00 0.00 58.87 59.09 3kl8 n SER 249 Cb 1.26 -0.20 -0.14 0.00 -0.26 0.00 0.00 64.21 64.88 3kl8 n SER 249 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 3kl8 n MET 250 N -2.09 0.69 -0.74 4.33 2.81 0.22 -2.20 117.12 120.13 3kl8 n MET 250 Ca 0.04 0.25 -0.12 0.00 -1.81 0.00 0.00 57.70 56.06 3kl8 n MET 250 Cb 0.42 -1.72 0.14 0.00 -0.71 0.00 0.00 33.22 31.35 3kl8 n MET 250 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 3kl8 n LEU 251 N -3.20 5.13 -4.67 4.03 4.77 0.95 -4.18 117.00 119.84 3kl8 n LEU 251 Ca -0.26 -2.69 -0.42 0.00 -0.03 0.00 0.00 56.01 52.60 3kl8 n LEU 251 Cb 1.06 -0.70 -0.03 0.00 -2.33 0.00 0.00 43.42 41.42 3kl8 n LEU 251 CO 0.43 0.78 1.27 -0.89 -1.33 0.00 0.00 177.39 177.65 3kl8 s THR 252 N -2.09 3.67 0.19 -5.08 2.01 -0.92 -4.94 115.64 108.48 3kl8 s THR 252 Ca 0.36 0.90 0.01 0.00 0.31 0.00 0.00 61.69 63.26 3kl8 s THR 252 Cb 0.30 -3.58 -0.09 0.00 0.01 0.00 0.00 72.50 69.14 3kl8 s THR 252 CO 0.08 -0.06 1.47 0.58 -0.69 0.00 0.00 174.62 176.00 3kl8 h VAL 253 N 5.36 1.40 -2.75 3.82 2.07 -1.89 -3.41 116.25 120.84 3kl8 h VAL 253 Ca -0.37 -2.16 -0.54 0.00 0.82 0.00 0.00 66.70 64.45 3kl8 h VAL 253 Cb 1.17 2.12 -0.06 0.00 -1.52 0.00 0.00 31.29 33.00 3kl8 h VAL 253 CO 0.94 0.64 1.11 0.21 0.02 0.00 0.00 177.57 180.49 3kl8 s ASN 254 N -6.94 6.09 0.24 0.57 2.47 -1.26 -4.71 114.94 111.40 3kl8 s ASN 254 Ca -0.05 0.24 -0.07 0.00 0.42 0.00 0.00 52.86 53.40 3kl8 s ASN 254 Cb 0.11 -2.55 0.42 0.00 -1.45 0.00 0.00 41.25 37.78 3kl8 s ASN 254 CO 0.82 -1.75 1.64 -0.65 -3.72 0.00 0.00 177.10 173.44 3kl8 h PRO 255 N 11.17 0.10 -0.84 0.43 0.11 -1.95 0.21 132.00 141.23 3kl8 h PRO 255 Ca -0.27 -0.01 0.24 0.00 0.11 0.00 0.00 66.00 66.08 3kl8 h PRO 255 Cb 1.09 -0.02 -0.03 0.00 0.11 0.00 0.00 31.00 32.15 3kl8 h PRO 255 CO 1.19 0.07 0.60 0.87 -0.21 0.00 0.00 178.00 180.52 3kl8 h LYS 256 N 0.10 0.01 -0.22 1.05 1.79 -1.96 -1.82 116.57 115.52 3kl8 h LYS 256 Ca 0.40 -0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.87 3kl8 h LYS 256 Cb 0.70 -0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.35 3kl8 h LYS 256 CO -0.65 0.00 0.00 1.63 -1.08 0.00 0.00 179.45 179.35 3kl8 n LYS 257 N -4.29 2.37 -2.89 3.15 5.02 0.03 -4.96 118.16 116.58 3kl8 n LYS 257 Ca 0.17 -1.74 -0.41 0.00 -2.02 0.00 0.00 58.31 54.30 3kl8 n LYS 257 Cb 0.90 -1.20 -0.04 0.00 -0.02 0.00 0.00 35.03 34.67 3kl8 n LYS 257 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 3kl8 s ARG 258 N -0.94 4.31 0.28 1.97 3.52 -0.69 -4.98 118.95 122.42 3kl8 s ARG 258 Ca 0.16 1.03 -0.26 0.00 -0.13 0.00 0.00 55.73 56.53 3kl8 s ARG 258 Cb 0.09 -3.57 -0.16 0.00 -1.56 0.00 0.00 34.95 29.75 3kl8 s ARG 258 CO 0.12 -0.30 0.43 1.51 -0.81 0.00 0.00 175.30 176.24 3kl8 n ILE 259 N 4.67 1.60 -2.65 4.11 3.06 -0.94 -4.99 119.36 124.23 3kl8 n ILE 259 Ca 0.04 -0.50 -0.21 0.00 -2.50 0.00 0.00 62.75 59.58 3kl8 n ILE 259 Cb 0.49 -0.09 0.05 0.00 0.54 0.00 0.00 39.64 40.63 3kl8 n ILE 259 CO 0.00 0.00 0.00 0.42 -2.50 0.00 0.00 176.55 174.47 3kl8 s THR 260 N -1.22 2.54 0.05 9.51 -4.23 -1.26 -4.89 115.64 116.13 3kl8 s THR 260 Ca 0.62 -0.67 -0.32 0.00 -1.18 0.00 0.00 61.69 60.14 3kl8 s THR 260 Cb -0.82 -2.87 -0.18 0.00 1.34 0.00 0.00 72.50 69.98 3kl8 s THR 260 CO 0.58 0.00 1.43 0.00 -0.54 0.00 0.00 174.62 176.09 3kl8 h ALA 261 N -0.04 -0.97 0.00 3.99 0.00 -1.94 -1.60 119.26 118.71 3kl8 h ALA 261 Ca -0.40 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.28 3kl8 h ALA 261 Cb 1.29 0.38 0.00 0.00 0.00 0.00 0.00 17.79 19.45 3kl8 h ALA 261 CO 0.49 -0.99 0.05 -0.25 0.00 0.00 0.00 179.25 178.55 3kl8 n ASP 262 N -5.47 0.31 -0.05 0.00 8.00 -1.26 -1.17 116.55 116.91 3kl8 n ASP 262 Ca -0.13 0.62 -0.20 0.00 0.71 0.00 0.00 54.79 55.78 3kl8 n ASP 262 Cb 0.40 -0.65 -0.13 0.00 -0.02 0.00 0.00 41.12 40.72 3kl8 n ASP 262 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3kl8 n GLN 263 N -1.91 0.72 0.01 -1.24 6.02 -1.07 -4.09 117.38 115.82 3kl8 n GLN 263 Ca -0.01 0.22 0.03 0.00 -0.01 0.00 0.00 57.00 57.23 3kl8 n GLN 263 Cb 0.06 -1.64 0.40 0.00 1.02 0.00 0.00 30.24 30.08 3kl8 n GLN 263 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3kl8 h ALA 264 N 0.04 1.63 0.00 -1.58 0.00 -0.13 -1.59 119.26 117.62 3kl8 h ALA 264 Ca -0.48 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.35 3kl8 h ALA 264 Cb 1.98 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 19.61 3kl8 h ALA 264 CO 0.02 0.31 0.00 1.28 0.00 0.00 0.00 179.25 180.86 3kl8 n LEU 265 N -4.42 0.00 -0.99 0.00 4.77 -0.80 -2.33 117.00 113.24 3kl8 n LEU 265 Ca 0.02 0.47 0.08 0.00 -0.03 0.00 0.00 56.01 56.55 3kl8 n LEU 265 Cb 0.11 -0.47 0.24 0.00 -2.33 0.00 0.00 43.42 40.97 3kl8 n LEU 265 CO 0.36 -0.24 0.70 0.29 -1.33 0.00 0.00 177.39 177.17 3kl8 n LYS 266 N -1.47 3.06 -3.06 3.23 5.02 -0.60 -4.61 118.16 119.73 3kl8 n LYS 266 Ca 0.04 -2.47 -0.39 0.00 -2.02 0.00 0.00 58.31 53.47 3kl8 n LYS 266 Cb 0.16 -1.55 -0.06 0.00 -0.02 0.00 0.00 35.03 33.56 3kl8 n LYS 266 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3kl8 s VAL 267 N -1.53 4.56 0.11 -0.18 1.01 -0.98 -4.88 120.40 118.51 3kl8 s VAL 267 Ca 0.36 1.55 -0.21 0.00 0.00 0.00 0.00 61.98 63.68 3kl8 s VAL 267 Cb 0.23 -4.07 -0.05 0.00 0.00 0.00 0.00 36.38 32.49 3kl8 s VAL 267 CO 0.19 0.49 1.15 -2.65 0.00 0.00 0.00 175.10 174.28 3kl8 n PRO 268 N 1.96 -0.30 0.00 2.72 -0.02 -1.26 0.37 135.00 138.47 3kl8 n PRO 268 Ca -0.06 1.13 0.00 0.00 -2.02 0.00 0.00 63.50 62.55 3kl8 n PRO 268 Cb 0.50 -1.67 0.00 0.00 -0.02 0.00 0.00 33.50 32.31 3kl8 n PRO 268 CO 0.00 0.00 0.00 1.87 1.98 0.00 0.00 175.50 179.35 3kl8 n TRP 269 N -4.70 0.00 0.00 6.00 -0.00 -1.26 -0.40 117.44 117.07 3kl8 n TRP 269 Ca 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.51 3kl8 n TRP 269 Cb 0.18 -0.00 0.00 0.00 -0.00 0.00 0.00 31.31 31.49 3kl8 n TRP 269 CO 0.00 0.00 0.00 -0.89 -0.00 0.00 0.00 177.69 176.80 3kl8 n ILE 270 N -0.96 0.00 0.04 5.87 2.08 0.16 -4.73 119.36 121.82 3kl8 n ILE 270 Ca 0.00 0.00 -0.01 0.00 0.56 0.00 0.00 62.75 63.30 3kl8 n ILE 270 Cb 0.00 -0.87 0.16 0.00 -0.75 0.00 0.00 39.64 38.18 3kl8 n ILE 270 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 3kl8 s ASN 272 N -0.28 4.40 -0.73 0.00 -0.87 -0.85 -4.90 114.94 111.69 3kl8 s ASN 272 Ca 0.27 -2.45 -0.03 0.00 -1.57 0.00 0.00 52.86 49.07 3kl8 s ASN 272 Cb 0.21 -1.48 0.19 0.00 -0.02 0.00 0.00 41.25 40.15 3kl8 s ASN 272 CO 0.07 -0.32 0.58 0.00 -2.57 0.00 0.00 177.10 174.86 3kl8 s ARG 273 N 0.51 2.89 0.00 -0.60 1.70 -1.26 -5.05 118.95 117.13 3kl8 s ARG 273 Ca 0.14 -2.79 0.00 0.00 -0.47 0.00 0.00 55.73 52.60 3kl8 s ARG 273 Cb -0.22 -3.86 0.00 0.00 -0.57 0.00 0.00 34.95 30.30 3kl8 s ARG 273 CO -0.06 -1.22 0.00 0.39 -1.08 0.00 0.00 175.30 173.33