#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kx6 s LYS 4 N 0.00 4.27 -0.20 5.55 -0.14 -1.26 -4.97 119.74 122.99 3kx6 s LYS 4 Ca 0.00 0.17 -0.29 0.00 -1.36 0.00 0.00 55.97 54.49 3kx6 s LYS 4 Cb 0.00 -3.44 -0.03 0.00 -1.68 0.00 0.00 37.83 32.68 3kx6 s LYS 4 CO 0.00 0.20 1.64 -1.17 -0.76 0.00 0.00 175.35 175.25 3kx6 s LEU 5 N 0.58 3.94 0.69 3.17 2.96 -1.26 -4.98 118.68 123.77 3kx6 s LEU 5 Ca 0.18 1.72 -0.10 0.00 -0.22 0.00 0.00 54.13 55.71 3kx6 s LEU 5 Cb -0.13 -3.53 0.02 0.00 0.50 0.00 0.00 46.19 43.04 3kx6 s LEU 5 CO 0.05 -1.23 1.06 -0.94 -1.32 0.00 0.00 176.35 173.97 3kx6 s SER 6 N 4.21 5.39 0.24 3.68 1.04 -1.26 -4.89 113.70 122.12 3kx6 s SER 6 Ca 0.72 0.99 -0.04 0.00 0.48 0.00 0.00 55.95 58.10 3kx6 s SER 6 Cb -0.26 -1.80 0.28 0.00 0.10 0.00 0.00 66.02 64.33 3kx6 s SER 6 CO 0.29 -1.33 1.77 0.06 0.98 0.00 0.00 173.24 175.01 3kx6 h GLN 7 N -0.57 0.94 -0.10 4.02 -0.00 -1.98 -0.42 115.11 117.00 3kx6 h GLN 7 Ca -0.45 -0.22 -0.15 0.00 -0.00 0.00 0.00 58.65 57.83 3kx6 h GLN 7 Cb 1.26 -0.13 0.01 0.00 -0.00 0.00 0.00 27.48 28.62 3kx6 h GLN 7 CO 0.63 0.86 -0.54 1.49 -0.00 0.00 0.00 178.83 181.27 3kx6 h GLU 8 N 0.89 0.54 -0.31 0.06 4.57 -1.98 0.01 114.58 118.35 3kx6 h GLU 8 Ca 0.19 -0.45 0.04 0.00 -1.18 0.00 0.00 59.36 57.96 3kx6 h GLU 8 Cb 0.37 0.10 -0.04 0.00 -0.16 0.00 0.00 28.75 29.02 3kx6 h GLU 8 CO 0.01 1.07 0.08 0.00 -1.18 0.00 0.00 179.01 178.99 3kx6 h ARG 9 N 0.14 0.19 -0.83 1.92 -0.00 -1.93 -0.72 114.38 113.14 3kx6 h ARG 9 Ca -0.04 -0.01 0.00 0.00 -0.50 0.00 0.00 59.98 59.43 3kx6 h ARG 9 Cb 1.18 -0.04 -0.04 0.00 0.00 0.00 0.00 29.97 31.07 3kx6 h ARG 9 CO 0.11 0.13 0.53 0.00 0.00 0.00 0.00 179.97 180.74 3kx6 h ALA 10 N 1.21 1.06 -0.64 0.04 0.00 -0.95 -2.03 119.26 117.95 3kx6 h ALA 10 Ca 0.14 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 3kx6 h ALA 10 Cb 0.14 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 17.56 3kx6 h ALA 10 CO -0.17 0.49 0.33 -0.22 0.00 0.00 0.00 179.25 179.68 3kx6 h LYS 11 N 1.13 0.90 -0.59 0.00 3.64 -0.60 -2.02 116.57 119.04 3kx6 h LYS 11 Ca 0.30 -0.12 -0.09 0.00 -1.27 0.00 0.00 60.65 59.47 3kx6 h LYS 11 Cb -0.10 -0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 31.53 3kx6 h LYS 11 CO -0.06 0.70 0.01 1.49 -2.27 0.00 0.00 179.45 179.32 3kx6 h GLU 12 N 0.87 1.03 -0.01 1.90 4.81 -0.75 -0.91 114.58 121.53 3kx6 h GLU 12 Ca 0.22 -0.32 -0.00 0.00 -0.13 0.00 0.00 59.36 59.13 3kx6 h GLU 12 Cb 0.08 -0.10 -0.00 0.00 0.63 0.00 0.00 28.75 29.36 3kx6 h GLU 12 CO -0.03 1.01 0.00 -0.07 -0.73 0.00 0.00 179.01 179.20 3kx6 h LEU 13 N 0.93 0.01 -0.46 1.64 3.38 -1.22 -1.06 115.31 118.53 3kx6 h LEU 13 Ca 0.17 -0.05 -0.03 0.00 0.09 0.00 0.00 57.88 58.05 3kx6 h LEU 13 Cb 0.54 -0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.27 3kx6 h LEU 13 CO 0.03 0.06 0.15 0.00 0.09 0.00 0.00 178.44 178.77 3kx6 h ALA 14 N 0.95 0.60 -0.83 1.53 0.00 -1.24 0.20 119.26 120.47 3kx6 h ALA 14 Ca 0.00 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 3kx6 h ALA 14 Cb 0.05 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.62 3kx6 h ALA 14 CO -0.00 0.24 0.49 0.93 0.00 0.00 0.00 179.25 180.90 3kx6 h GLU 15 N 0.60 1.14 -0.16 0.00 5.08 -1.05 -1.13 114.58 119.06 3kx6 h GLU 15 Ca 0.15 -0.11 -0.20 0.00 -1.00 0.00 0.00 59.36 58.20 3kx6 h GLU 15 Cb 0.25 -0.23 0.00 0.00 0.50 0.00 0.00 28.75 29.27 3kx6 h GLU 15 CO -0.01 0.81 -0.70 -0.91 -1.00 0.00 0.00 179.01 177.20 3kx6 h ASN 16 N 1.14 0.81 -0.53 1.42 2.35 -0.81 -1.35 115.58 118.62 3kx6 h ASN 16 Ca 0.30 -0.50 -0.06 0.00 -0.55 0.00 0.00 56.30 55.49 3kx6 h ASN 16 Cb -0.02 -0.24 -0.02 0.00 0.05 0.00 0.00 38.32 38.09 3kx6 h ASN 16 CO -0.05 1.28 0.11 0.00 -1.65 0.00 0.00 177.43 177.12 3kx6 h ALA 17 N 0.72 0.70 -0.57 -0.83 0.00 -0.44 -1.24 119.26 117.60 3kx6 h ALA 17 Ca -0.03 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 54.62 3kx6 h ALA 17 Cb 1.30 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.86 3kx6 h ALA 17 CO 0.14 0.41 0.21 0.77 0.00 0.00 0.00 179.25 180.78 3kx6 h SER 18 N 0.75 0.76 -0.40 0.00 0.02 -1.20 -1.48 113.55 112.00 3kx6 h SER 18 Ca 0.16 -0.10 -0.04 0.00 -0.84 0.00 0.00 61.79 60.97 3kx6 h SER 18 Cb 0.36 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 62.69 3kx6 h SER 18 CO 0.00 0.69 0.09 0.15 -1.14 0.00 0.00 176.83 176.62 3kx6 h PHE 19 N 0.82 0.69 -0.81 3.45 3.57 -0.86 -2.08 116.94 121.71 3kx6 h PHE 19 Ca 0.19 -0.09 -0.04 0.00 3.53 0.00 0.00 57.97 61.56 3kx6 h PHE 19 Cb 0.18 -0.19 -0.04 0.00 2.79 0.00 0.00 35.95 38.70 3kx6 h PHE 19 CO 0.01 0.67 0.35 0.82 -2.23 0.00 0.00 178.31 177.93 3kx6 h ILE 20 N 0.52 1.26 0.00 1.41 2.04 -0.93 -1.48 117.51 120.33 3kx6 h ILE 20 Ca 0.13 -0.79 0.00 0.00 1.00 0.00 0.00 64.86 65.20 3kx6 h ILE 20 Cb 0.34 0.26 0.00 0.00 -0.74 0.00 0.00 36.82 36.67 3kx6 h ILE 20 CO 0.00 0.33 0.00 0.00 0.00 0.00 0.00 178.15 178.48 3kx6 n ALA 21 N -2.43 2.49 -1.61 1.87 0.00 -0.58 -4.60 120.51 115.65 3kx6 n ALA 21 Ca 0.08 0.00 -0.47 0.00 0.00 0.00 0.00 53.44 53.05 3kx6 n ALA 21 Cb 0.17 -1.00 -0.03 0.00 0.00 0.00 0.00 19.45 18.59 3kx6 n ALA 21 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3kx6 n SER 22 N -0.44 1.78 -4.70 0.00 7.64 -0.56 -4.73 113.62 112.61 3kx6 n SER 22 Ca 0.00 1.15 -0.44 0.00 1.01 0.00 0.00 58.87 60.60 3kx6 n SER 22 Cb 0.03 -1.30 -0.02 0.00 -1.01 0.00 0.00 64.21 61.91 3kx6 n SER 22 CO 0.00 0.00 0.00 -2.65 -3.01 0.00 0.00 175.04 169.38 3kx6 n PRO 23 N 1.62 2.27 -0.45 1.43 -0.02 -1.26 -1.57 135.00 137.01 3kx6 n PRO 23 Ca 0.13 0.81 0.00 0.00 -2.02 0.00 0.00 63.50 62.41 3kx6 n PRO 23 Cb 0.28 -2.50 0.00 0.00 -0.02 0.00 0.00 33.50 31.26 3kx6 n PRO 23 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3kx6 n GLY 24 N 2.03 1.22 3.49 -1.23 0.00 -1.26 -5.03 105.19 104.41 3kx6 n GLY 24 Ca 0.10 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.85 3kx6 n GLY 24 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kx6 s LYS 25 N -0.33 1.76 0.00 1.61 1.02 -0.61 -4.51 119.74 118.68 3kx6 s LYS 25 Ca 0.00 -1.42 0.00 0.00 0.02 0.00 0.00 55.97 54.57 3kx6 s LYS 25 Cb 0.00 -1.98 0.00 0.00 -0.52 0.00 0.00 37.83 35.33 3kx6 s LYS 25 CO 0.00 0.41 0.00 0.41 -0.92 0.00 0.00 175.35 175.25 3kx6 n GLY 26 N 0.13 3.91 3.48 -3.33 0.00 -0.48 -4.68 105.19 104.22 3kx6 n GLY 26 Ca -0.11 -1.49 -0.33 0.00 0.00 0.00 0.00 46.02 44.08 3kx6 n GLY 26 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3kx6 s ILE 27 N -2.00 3.38 -0.30 -0.61 1.01 0.56 -0.73 121.20 122.51 3kx6 s ILE 27 Ca 0.00 -0.58 -0.18 0.00 0.00 0.00 0.00 60.65 59.89 3kx6 s ILE 27 Cb 0.00 -2.40 -0.02 0.00 0.01 0.00 0.00 42.46 40.06 3kx6 s ILE 27 CO 0.00 0.56 0.54 -0.22 0.00 0.00 0.00 174.94 175.82 3kx6 s LEU 28 N -0.24 4.17 -0.56 2.97 2.96 -0.66 -2.00 118.68 125.31 3kx6 s LEU 28 Ca 0.02 0.31 -0.23 0.00 -0.22 0.00 0.00 54.13 54.01 3kx6 s LEU 28 Cb -0.13 -2.67 0.05 0.00 0.50 0.00 0.00 46.19 43.94 3kx6 s LEU 28 CO 0.03 -0.40 0.88 0.00 -1.32 0.00 0.00 176.35 175.54 3kx6 s ALA 29 N 2.41 3.20 -0.21 5.97 0.00 0.15 -1.73 121.76 131.55 3kx6 s ALA 29 Ca 0.21 -1.45 0.14 0.00 0.00 0.00 0.00 51.96 50.86 3kx6 s ALA 29 Cb -0.15 -3.68 0.44 0.00 0.00 0.00 0.00 23.12 19.73 3kx6 s ALA 29 CO 0.11 -2.38 1.32 0.00 0.00 0.00 0.00 175.76 174.82 3kx6 n ALA 30 N 7.24 3.38 -1.27 0.00 0.00 -0.18 -4.14 120.51 125.54 3kx6 n ALA 30 Ca -0.01 -2.88 -0.25 0.00 0.00 0.00 0.00 53.44 50.30 3kx6 n ALA 30 Cb 0.47 -0.56 0.16 0.00 0.00 0.00 0.00 19.45 19.52 3kx6 n ALA 30 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3kx6 n ASP 31 N -1.07 4.44 -4.71 0.00 5.75 -0.78 -4.18 116.55 116.00 3kx6 n ASP 31 Ca 0.23 -3.66 -0.42 0.00 -0.01 0.00 0.00 54.79 50.94 3kx6 n ASP 31 Cb 0.83 -0.85 -0.03 0.00 -1.03 0.00 0.00 41.12 40.04 3kx6 n ASP 31 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 3kx6 s GLU 32 N -3.40 4.20 1.14 0.11 8.01 -1.26 -4.42 118.70 123.07 3kx6 s GLU 32 Ca 0.58 2.38 -0.16 0.00 0.01 0.00 0.00 54.97 57.78 3kx6 s GLU 32 Cb 0.48 -3.33 0.26 0.00 -4.31 0.00 0.00 34.13 27.22 3kx6 s GLU 32 CO 0.08 -0.67 1.08 -1.54 0.01 0.00 0.00 175.26 174.22 3kx6 s SER 33 N 1.69 1.44 0.15 -0.19 1.04 -1.26 -4.69 113.70 111.87 3kx6 s SER 33 Ca 0.72 0.93 -0.17 0.00 0.48 0.00 0.00 55.95 57.91 3kx6 s SER 33 Cb -0.43 -1.40 0.04 0.00 0.10 0.00 0.00 66.02 64.33 3kx6 s SER 33 CO 0.32 -3.84 1.74 0.74 0.98 0.00 0.00 173.24 173.19 3kx6 h THR 34 N -2.38 0.89 -0.04 2.02 2.02 -1.99 -0.90 112.91 112.53 3kx6 h THR 34 Ca -0.50 -0.08 -0.08 0.00 0.77 0.00 0.00 66.41 66.52 3kx6 h THR 34 Cb 1.32 0.64 -0.01 0.00 -1.74 0.00 0.00 68.15 68.36 3kx6 h THR 34 CO 0.45 0.04 -0.36 1.23 0.37 0.00 0.00 175.52 177.25 3kx6 h GLY 35 N 0.23 0.08 0.94 2.16 0.00 -2.00 -1.59 103.07 102.88 3kx6 h GLY 35 Ca 0.15 -0.07 -0.21 0.00 0.00 0.00 0.00 47.33 47.20 3kx6 h GLY 35 CO -0.17 0.06 -0.83 -0.84 0.00 0.00 0.00 176.54 174.77 3kx6 h THR 36 N 0.07 1.38 0.00 4.70 2.02 -1.82 -3.27 112.91 115.99 3kx6 h THR 36 Ca 0.01 -2.22 -0.02 0.00 0.77 0.00 0.00 66.41 64.94 3kx6 h THR 36 Cb 0.67 2.63 -0.00 0.00 -1.74 0.00 0.00 68.15 69.71 3kx6 h THR 36 CO 0.05 0.66 -0.09 -0.29 0.37 0.00 0.00 175.52 176.22 3kx6 h ILE 37 N 0.04 0.19 -0.44 3.11 2.10 -1.08 -2.47 117.51 118.97 3kx6 h ILE 37 Ca -0.11 -0.96 0.09 0.00 1.08 0.00 0.00 64.86 64.95 3kx6 h ILE 37 Cb 1.53 1.82 -0.09 0.00 -1.09 0.00 0.00 36.82 38.99 3kx6 h ILE 37 CO 0.16 0.09 -0.14 -0.61 -1.08 0.00 0.00 178.15 176.57 3kx6 h GLN 38 N 0.00 -0.04 0.11 2.19 5.75 -1.34 -0.16 115.11 121.63 3kx6 h GLN 38 Ca -0.00 0.00 0.02 0.00 -0.15 0.00 0.00 58.65 58.52 3kx6 h GLN 38 Cb 0.81 0.01 -0.03 0.00 1.07 0.00 0.00 27.48 29.34 3kx6 h GLN 38 CO 0.01 -0.02 -0.23 0.87 -2.65 0.00 0.00 178.83 176.81 3kx6 h LYS 39 N -0.04 -0.41 -0.62 1.69 6.56 -1.52 0.33 116.57 122.57 3kx6 h LYS 39 Ca 0.21 0.03 0.03 0.00 -1.06 0.00 0.00 60.65 59.85 3kx6 h LYS 39 Cb 0.36 0.09 -0.04 0.00 -0.57 0.00 0.00 32.23 32.07 3kx6 h LYS 39 CO -0.47 -0.27 0.38 0.00 -2.06 0.00 0.00 179.45 177.03 3kx6 h ARG 40 N -0.43 0.73 -0.22 3.15 2.47 -1.44 -1.83 114.38 116.82 3kx6 h ARG 40 Ca 0.03 -0.04 -0.11 0.00 -1.26 0.00 0.00 59.98 58.60 3kx6 h ARG 40 Cb 0.45 -0.17 -0.01 0.00 -1.65 0.00 0.00 29.97 28.60 3kx6 h ARG 40 CO -0.14 0.49 -0.32 0.74 0.56 0.00 0.00 179.97 181.29 3kx6 h PHE 41 N 0.76 0.52 -0.29 3.04 -1.00 -0.77 -3.06 116.94 116.14 3kx6 h PHE 41 Ca 0.25 -0.13 0.02 0.00 2.81 0.00 0.00 57.97 60.92 3kx6 h PHE 41 Cb 0.01 -0.12 -0.03 0.00 3.61 0.00 0.00 35.95 39.42 3kx6 h PHE 41 CO -0.05 0.73 0.13 -0.44 -1.61 0.00 0.00 178.31 177.07 3kx6 h ASP 42 N 0.39 0.18 0.00 2.17 3.32 0.29 -0.81 116.42 121.96 3kx6 h ASP 42 Ca 0.05 0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.12 3kx6 h ASP 42 Cb 0.76 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 40.30 3kx6 h ASP 42 CO 0.06 0.14 0.10 0.78 -1.72 0.00 0.00 179.24 178.60 3kx6 h ASN 43 N 0.28 0.00 0.00 6.45 2.35 -1.25 -1.44 115.58 121.97 3kx6 h ASN 43 Ca 0.12 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.87 3kx6 h ASN 43 Cb 0.06 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.43 3kx6 h ASN 43 CO -0.10 0.00 -0.06 1.33 -1.65 0.00 0.00 177.43 176.95 3kx6 n VAL 44 N -2.79 1.35 -1.91 2.81 0.24 -1.02 -5.02 118.33 111.99 3kx6 n VAL 44 Ca -0.02 -1.57 -0.11 0.00 -2.04 0.00 0.00 64.34 60.60 3kx6 n VAL 44 Cb 0.15 0.09 -0.02 0.00 -1.47 0.00 0.00 33.84 32.59 3kx6 n VAL 44 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3kx6 n GLY 45 N -0.97 0.35 3.55 7.63 0.00 -0.54 -4.87 105.19 110.34 3kx6 n GLY 45 Ca 0.09 -0.47 -0.34 0.00 0.00 0.00 0.00 46.02 45.31 3kx6 n GLY 45 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kx6 s VAL 46 N -2.49 3.76 0.07 1.61 1.01 -0.39 -5.03 120.40 118.94 3kx6 s VAL 46 Ca 0.00 -0.44 -0.31 0.00 0.00 0.00 0.00 61.98 61.23 3kx6 s VAL 46 Cb 0.00 -2.57 -0.06 0.00 0.00 0.00 0.00 36.38 33.75 3kx6 s VAL 46 CO 0.00 0.57 1.21 -0.70 0.00 0.00 0.00 175.10 176.18 3kx6 s GLU 47 N -0.43 4.43 -1.38 2.72 2.12 -1.26 -4.30 118.70 120.59 3kx6 s GLU 47 Ca 0.07 1.80 -0.16 0.00 0.36 0.00 0.00 54.97 57.04 3kx6 s GLU 47 Cb -0.12 -3.33 0.04 0.00 0.26 0.00 0.00 34.13 30.97 3kx6 s GLU 47 CO 0.02 -0.26 2.07 -1.71 -0.54 0.00 0.00 175.26 174.84 3kx6 n ASN 48 N 3.87 4.11 -4.96 -1.70 5.15 -1.26 -4.74 115.26 115.73 3kx6 n ASN 48 Ca 0.09 -2.85 -0.20 0.00 -0.60 0.00 0.00 54.58 51.02 3kx6 n ASN 48 Cb 0.46 -1.66 -0.01 0.00 -0.53 0.00 0.00 39.78 38.03 3kx6 n ASN 48 CO 0.00 0.00 0.00 0.42 1.40 0.00 0.00 177.26 179.08 3kx6 s THR 49 N 3.73 4.14 0.27 -0.44 -4.23 -1.26 -5.01 115.64 112.84 3kx6 s THR 49 Ca 0.50 -1.07 -0.01 0.00 -1.18 0.00 0.00 61.69 59.93 3kx6 s THR 49 Cb 0.11 -3.43 0.11 0.00 1.34 0.00 0.00 72.50 70.63 3kx6 s THR 49 CO -0.03 -0.19 1.76 -0.08 -0.54 0.00 0.00 174.62 175.55 3kx6 h GLU 50 N 1.00 0.74 -0.90 3.99 4.81 -1.99 -1.72 114.58 120.51 3kx6 h GLU 50 Ca -0.46 -0.21 0.00 0.00 -0.13 0.00 0.00 59.36 58.56 3kx6 h GLU 50 Cb 1.25 -0.08 -0.04 0.00 0.63 0.00 0.00 28.75 30.50 3kx6 h GLU 50 CO 0.55 0.77 0.57 0.87 -0.73 0.00 0.00 179.01 181.04 3kx6 h LYS 51 N 0.69 1.20 -0.28 1.92 1.57 -1.96 0.12 116.57 119.83 3kx6 h LYS 51 Ca 0.13 -0.09 -0.15 0.00 -1.87 0.00 0.00 60.65 58.67 3kx6 h LYS 51 Cb 0.47 -0.26 -0.01 0.00 0.08 0.00 0.00 32.23 32.51 3kx6 h LYS 51 CO 0.02 0.82 -0.45 -0.91 -0.57 0.00 0.00 179.45 178.36 3kx6 h ASN 52 N 1.23 0.78 -0.58 0.86 2.35 -1.72 -0.48 115.58 118.02 3kx6 h ASN 52 Ca 0.33 -0.37 -0.05 0.00 -0.55 0.00 0.00 56.30 55.65 3kx6 h ASN 52 Cb -0.10 -0.22 -0.02 0.00 0.05 0.00 0.00 38.32 38.02 3kx6 h ASN 52 CO -0.07 1.11 0.16 0.03 -1.65 0.00 0.00 177.43 177.02 3kx6 h ARG 53 N 0.58 0.91 -0.44 0.81 3.08 -0.87 -1.05 114.38 117.40 3kx6 h ARG 53 Ca 0.04 -0.21 -0.07 0.00 0.07 0.00 0.00 59.98 59.81 3kx6 h ARG 53 Cb 1.01 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 30.92 3kx6 h ARG 53 CO 0.10 0.83 0.01 0.00 -1.07 0.00 0.00 179.97 179.83 3kx6 h ALA 54 N 1.04 0.59 -0.12 0.04 0.00 -0.59 -0.12 119.26 120.10 3kx6 h ALA 54 Ca 0.18 -0.27 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 3kx6 h ALA 54 Cb 0.32 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 3kx6 h ALA 54 CO -0.00 0.37 0.06 1.49 0.00 0.00 0.00 179.25 181.17 3kx6 h GLU 55 N 0.61 0.17 0.14 0.00 4.81 -1.00 -0.41 114.58 118.89 3kx6 h GLU 55 Ca 0.12 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.33 3kx6 h GLU 55 Cb 0.48 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.83 3kx6 h GLU 55 CO 0.02 0.21 -0.07 -0.92 -0.73 0.00 0.00 179.01 177.53 3kx6 h TYR 56 N 0.08 -0.17 -0.58 0.92 3.20 -1.02 -1.73 116.97 117.66 3kx6 h TYR 56 Ca 0.04 -0.00 -0.02 0.00 3.14 0.00 0.00 58.73 61.89 3kx6 h TYR 56 Cb 0.10 0.06 -0.03 0.00 1.54 0.00 0.00 36.73 38.40 3kx6 h TYR 56 CO -0.04 0.03 0.28 0.00 -1.64 0.00 0.00 178.16 176.80 3kx6 h ARG 57 N -0.35 0.82 -0.06 1.82 -0.00 -1.00 -2.26 114.38 113.34 3kx6 h ARG 57 Ca -0.02 -0.10 -0.08 0.00 -0.50 0.00 0.00 59.98 59.29 3kx6 h ARG 57 Cb 0.28 -0.16 -0.01 0.00 0.00 0.00 0.00 29.97 30.08 3kx6 h ARG 57 CO 0.03 0.63 -0.31 0.66 0.00 0.00 0.00 179.97 180.98 3kx6 h SER 58 N 0.82 0.11 -0.26 7.04 4.64 -0.81 -0.66 113.55 124.42 3kx6 h SER 58 Ca 0.20 -0.03 -0.06 0.00 -0.47 0.00 0.00 61.79 61.43 3kx6 h SER 58 Cb 0.08 -0.03 -0.01 0.00 -0.31 0.00 0.00 62.40 62.13 3kx6 h SER 58 CO -0.03 0.42 -0.07 0.40 -0.87 0.00 0.00 176.83 176.69 3kx6 h ILE 59 N 0.10 1.28 -0.41 0.95 2.04 -0.76 -2.15 117.51 118.56 3kx6 h ILE 59 Ca 0.01 -1.08 0.06 0.00 1.00 0.00 0.00 64.86 64.85 3kx6 h ILE 59 Cb 0.61 1.45 -0.05 0.00 -0.74 0.00 0.00 36.82 38.09 3kx6 h ILE 59 CO 0.04 0.34 0.10 -0.07 0.00 0.00 0.00 178.15 178.57 3kx6 h LEU 60 N 0.26 0.06 -0.43 1.44 3.38 -0.94 -2.93 115.31 116.15 3kx6 h LEU 60 Ca 0.07 0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.10 3kx6 h LEU 60 Cb 0.54 0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.36 3kx6 h LEU 60 CO 0.03 0.07 -0.01 0.49 0.09 0.00 0.00 178.44 179.11 3kx6 n PHE 61 N -5.07 0.00 -0.48 1.13 3.72 -0.30 -2.61 117.46 113.85 3kx6 n PHE 61 Ca 0.03 0.00 0.07 0.00 -0.05 0.00 0.00 57.45 57.50 3kx6 n PHE 61 Cb 0.18 -0.01 0.21 0.00 -0.94 0.00 0.00 39.48 38.91 3kx6 n PHE 61 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 3kx6 n THR 62 N -0.49 1.49 -2.08 4.37 -2.24 -0.82 -4.55 114.28 109.96 3kx6 n THR 62 Ca 0.21 -1.31 -0.43 0.00 -2.27 0.00 0.00 64.05 60.26 3kx6 n THR 62 Cb 0.23 0.22 -0.03 0.00 -2.10 0.00 0.00 70.33 68.65 3kx6 n THR 62 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 3kx6 s THR 63 N -1.67 3.68 0.06 4.28 2.01 -1.07 -4.91 115.64 118.02 3kx6 s THR 63 Ca 0.32 0.81 -0.31 0.00 0.31 0.00 0.00 61.69 62.82 3kx6 s THR 63 Cb 0.21 -3.60 -0.08 0.00 0.01 0.00 0.00 72.50 69.05 3kx6 s THR 63 CO 0.14 -0.15 1.55 -1.59 -0.69 0.00 0.00 174.62 173.87 3kx6 s LYS 64 N 4.27 4.24 0.00 4.92 0.00 -1.26 -1.87 119.74 130.04 3kx6 s LYS 64 Ca 0.71 2.20 0.00 0.00 0.00 0.00 0.00 55.97 58.88 3kx6 s LYS 64 Cb -0.29 -3.52 0.00 0.00 0.00 0.00 0.00 37.83 34.02 3kx6 s LYS 64 CO 0.28 -0.65 0.00 0.41 0.00 0.00 0.00 175.35 175.39 3kx6 n GLY 65 N 3.82 0.79 0.37 0.59 0.00 -1.26 -4.94 105.19 104.57 3kx6 n GLY 65 Ca 0.14 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.28 3kx6 n GLY 65 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3kx6 h LEU 66 N 0.00 0.58 -1.62 0.99 5.85 -1.71 -1.62 115.31 117.79 3kx6 h LEU 66 Ca 0.00 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.75 3kx6 h LEU 66 Cb 0.00 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 40.94 3kx6 h LEU 66 CO 0.00 0.32 0.00 1.23 -0.34 0.00 0.00 178.44 179.65 3kx6 h GLY 67 N 0.63 0.00 2.00 3.75 0.00 -1.75 -1.12 103.07 106.58 3kx6 h GLY 67 Ca 0.40 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.67 3kx6 h GLY 67 CO -0.16 0.00 -0.25 0.50 0.00 0.00 0.00 176.54 176.63 3kx6 h LYS 68 N 0.00 0.00 0.00 4.80 1.57 -1.58 -3.32 116.57 118.04 3kx6 h LYS 68 Ca 0.00 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.74 3kx6 h LYS 68 Cb 0.10 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.41 3kx6 h LYS 68 CO 0.00 0.25 -1.46 0.66 -0.57 0.00 0.00 179.45 178.33 3kx6 n TYR 69 N -4.07 0.00 -4.30 -1.35 4.01 -0.63 -4.74 117.16 106.08 3kx6 n TYR 69 Ca -0.02 0.00 -0.33 0.00 -0.16 0.00 0.00 57.90 57.39 3kx6 n TYR 69 Cb 0.32 -0.26 -0.16 0.00 -0.31 0.00 0.00 39.34 38.93 3kx6 n TYR 69 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 3kx6 s ILE 70 N -2.54 2.37 -0.13 -0.72 -1.09 -0.52 -1.39 121.20 117.18 3kx6 s ILE 70 Ca -0.04 -0.85 0.18 0.00 -2.23 0.00 0.00 60.65 57.71 3kx6 s ILE 70 Cb 0.05 -2.00 -0.23 0.00 -1.58 0.00 0.00 42.46 38.70 3kx6 s ILE 70 CO 0.38 0.52 0.44 -1.54 -1.23 0.00 0.00 174.94 173.51 3kx6 n SER 71 N 4.41 0.34 -3.75 3.58 3.41 0.09 -4.33 113.62 117.37 3kx6 n SER 71 Ca -0.20 0.15 -0.13 0.00 -0.26 0.00 0.00 58.87 58.44 3kx6 n SER 71 Cb 0.51 0.86 -0.08 0.00 -0.26 0.00 0.00 64.21 65.23 3kx6 n SER 71 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 3kx6 s GLY 72 N -5.04 -0.14 -0.10 5.00 0.00 -1.22 -1.68 107.32 104.13 3kx6 s GLY 72 Ca -0.07 0.18 -0.01 0.00 0.00 0.00 0.00 44.72 44.82 3kx6 s GLY 72 CO 0.84 -0.03 -0.00 0.00 0.00 0.00 0.00 173.10 173.91 3kx6 s ILE 74 N 1.91 4.83 0.19 0.00 1.01 -0.70 -0.58 121.20 127.86 3kx6 s ILE 74 Ca 0.04 1.89 0.06 0.00 0.00 0.00 0.00 60.65 62.64 3kx6 s ILE 74 Cb -0.13 -4.25 -0.04 0.00 0.01 0.00 0.00 42.46 38.05 3kx6 s ILE 74 CO -0.06 0.02 0.12 -0.76 0.00 0.00 0.00 174.94 174.26 3kx6 s LEU 75 N 2.00 3.68 0.46 2.97 1.43 0.23 -1.01 118.68 128.44 3kx6 s LEU 75 Ca 0.45 -0.24 -0.20 0.00 -1.03 0.00 0.00 54.13 53.11 3kx6 s LEU 75 Cb -0.18 -2.28 -0.10 0.00 0.03 0.00 0.00 46.19 43.67 3kx6 s LEU 75 CO 0.16 0.04 0.98 0.12 0.23 0.00 0.00 176.35 177.88 3kx6 s PHE 76 N -1.87 3.26 0.28 0.29 5.36 -1.26 -1.74 117.98 122.29 3kx6 s PHE 76 Ca 0.31 1.58 -0.01 0.00 -0.96 0.00 0.00 56.93 57.85 3kx6 s PHE 76 Cb -0.09 -2.89 0.63 0.00 -0.34 0.00 0.00 43.02 40.32 3kx6 s PHE 76 CO 0.23 -0.33 1.64 1.49 -1.46 0.00 0.00 175.22 176.79 3kx6 h GLU 77 N 1.63 0.16 -0.55 10.12 4.81 -1.94 -1.03 114.58 127.78 3kx6 h GLU 77 Ca -0.49 -0.01 0.11 0.00 -0.13 0.00 0.00 59.36 58.84 3kx6 h GLU 77 Cb 1.19 -0.04 -0.09 0.00 0.63 0.00 0.00 28.75 30.44 3kx6 h GLU 77 CO 0.61 0.10 -0.04 1.49 -0.73 0.00 0.00 179.01 180.44 3kx6 h GLU 78 N 0.16 0.08 -0.33 1.92 4.81 -1.98 -2.65 114.58 116.59 3kx6 h GLU 78 Ca 0.51 -0.00 -0.14 0.00 -0.13 0.00 0.00 59.36 59.59 3kx6 h GLU 78 Cb 1.00 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.35 3kx6 h GLU 78 CO -0.68 0.05 -0.37 1.15 -0.73 0.00 0.00 179.01 178.43 3kx6 h THR 79 N 0.08 1.28 -0.79 0.32 2.02 -1.59 -2.66 112.91 111.58 3kx6 h THR 79 Ca 0.28 -1.54 0.13 0.00 0.77 0.00 0.00 66.41 66.05 3kx6 h THR 79 Cb 0.43 1.43 -0.06 0.00 -1.74 0.00 0.00 68.15 68.21 3kx6 h THR 79 CO -0.49 0.50 0.52 0.25 0.37 0.00 0.00 175.52 176.67 3kx6 h LEU 80 N 0.64 0.50 -2.68 2.58 5.85 -1.12 -2.08 115.31 119.00 3kx6 h LEU 80 Ca 0.06 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.80 3kx6 h LEU 80 Cb 0.92 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.87 3kx6 h LEU 80 CO 0.08 0.27 0.00 0.49 -0.34 0.00 0.00 178.44 178.94 3kx6 n PHE 81 N -4.50 0.73 -3.23 1.25 3.72 -1.12 -4.50 117.46 109.80 3kx6 n PHE 81 Ca 0.15 -0.44 -0.24 0.00 -0.05 0.00 0.00 57.45 56.86 3kx6 n PHE 81 Cb 0.47 -0.01 -0.01 0.00 -0.94 0.00 0.00 39.48 38.99 3kx6 n PHE 81 CO 0.00 0.00 0.00 -1.14 -0.05 0.00 0.00 176.76 175.57 3kx6 s GLN 82 N -1.07 3.38 0.00 -1.08 0.74 -0.78 -4.98 119.66 115.87 3kx6 s GLN 82 Ca 0.39 -0.34 0.02 0.00 0.05 0.00 0.00 55.36 55.48 3kx6 s GLN 82 Cb 0.21 -2.62 -0.03 0.00 1.10 0.00 0.00 33.01 31.67 3kx6 s GLN 82 CO 0.27 0.02 -0.03 -0.65 -0.55 0.00 0.00 175.29 174.35 3kx6 s GLN 83 N -4.41 2.66 0.99 1.67 1.11 -1.26 -1.32 119.66 119.11 3kx6 s GLN 83 Ca 0.43 -0.67 -0.12 0.00 0.01 0.00 0.00 55.36 55.01 3kx6 s GLN 83 Cb -0.10 -2.58 0.19 0.00 -1.01 0.00 0.00 33.01 29.51 3kx6 s GLN 83 CO 0.37 0.61 1.08 0.00 0.01 0.00 0.00 175.29 177.37 3kx6 s ALA 84 N -1.04 0.88 0.48 6.09 0.00 0.43 -4.86 121.76 123.74 3kx6 s ALA 84 Ca 0.18 -0.14 0.27 0.00 0.00 0.00 0.00 51.96 52.27 3kx6 s ALA 84 Cb -0.11 -3.19 1.33 0.00 0.00 0.00 0.00 23.12 21.14 3kx6 s ALA 84 CO 0.09 -2.89 1.82 -1.35 0.00 0.00 0.00 175.76 173.43 3kx6 h PRO 85 N -1.94 0.17 -0.04 0.00 0.11 -1.89 0.19 132.00 128.61 3kx6 h PRO 85 Ca -0.54 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.56 3kx6 h PRO 85 Cb 1.31 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.38 3kx6 h PRO 85 CO 0.54 0.12 0.00 0.27 -0.21 0.00 0.00 178.00 178.71 3kx6 n ASN 86 N -4.39 0.75 0.00 -2.05 6.94 -1.26 -4.93 115.26 110.32 3kx6 n ASN 86 Ca 0.23 -1.38 0.00 0.00 -0.02 0.00 0.00 54.58 53.41 3kx6 n ASN 86 Cb 0.99 -0.02 0.00 0.00 -2.36 0.00 0.00 39.78 38.39 3kx6 n ASN 86 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3kx6 n GLY 87 N 1.03 1.90 3.77 4.83 0.00 0.06 -5.06 105.19 111.71 3kx6 n GLY 87 Ca 0.19 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.81 3kx6 n GLY 87 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3kx6 s GLN 88 N -0.60 3.75 0.29 1.61 -0.21 -1.26 -4.66 119.66 118.58 3kx6 s GLN 88 Ca 0.00 2.46 -0.29 0.00 0.02 0.00 0.00 55.36 57.55 3kx6 s GLN 88 Cb 0.00 -2.71 -0.10 0.00 1.00 0.00 0.00 33.01 31.20 3kx6 s GLN 88 CO 0.00 -0.78 1.22 -0.80 -2.12 0.00 0.00 175.29 172.81 3kx6 s ASN 89 N -0.42 7.00 0.27 5.90 0.01 -1.26 -0.43 114.94 126.00 3kx6 s ASN 89 Ca 0.60 2.47 -0.01 0.00 -0.71 0.00 0.00 52.86 55.21 3kx6 s ASN 89 Cb -0.45 -2.63 0.49 0.00 0.41 0.00 0.00 41.25 39.07 3kx6 s ASN 89 CO 0.58 -0.37 1.82 0.24 -1.51 0.00 0.00 177.10 177.86 3kx6 h MET 90 N 3.86 0.89 -0.91 -0.60 2.86 -1.45 -1.05 114.93 118.53 3kx6 h MET 90 Ca -0.47 -0.05 0.07 0.00 -2.06 0.00 0.00 59.70 57.18 3kx6 h MET 90 Cb 1.22 -0.20 -0.06 0.00 0.06 0.00 0.00 31.60 32.62 3kx6 h MET 90 CO 0.68 0.59 0.59 0.28 1.06 0.00 0.00 176.91 180.10 3kx6 h VAL 91 N 0.91 1.05 -0.11 -2.22 2.07 -1.82 -2.19 116.25 113.95 3kx6 h VAL 91 Ca 0.46 -0.35 -0.14 0.00 0.82 0.00 0.00 66.70 67.49 3kx6 h VAL 91 Cb 0.44 -0.06 -0.01 0.00 -1.52 0.00 0.00 31.29 30.14 3kx6 h VAL 91 CO -0.26 0.19 -0.52 0.44 0.02 0.00 0.00 177.57 177.43 3kx6 h ASP 92 N 1.02 0.35 -0.47 0.57 3.32 -1.59 -1.39 116.42 118.23 3kx6 h ASP 92 Ca 0.40 -0.18 0.04 0.00 0.02 0.00 0.00 57.03 57.31 3kx6 h ASP 92 Cb 0.22 -0.10 -0.04 0.00 0.22 0.00 0.00 39.33 39.63 3kx6 h ASP 92 CO -0.15 0.81 0.23 -0.07 -1.72 0.00 0.00 179.24 178.33 3kx6 h LEU 93 N 0.25 0.32 -0.62 1.55 3.38 -0.91 -1.02 115.31 118.27 3kx6 h LEU 93 Ca 0.01 0.03 -0.07 0.00 0.09 0.00 0.00 57.88 57.94 3kx6 h LEU 93 Cb 1.00 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.70 3kx6 h LEU 93 CO 0.09 0.23 0.11 -0.07 0.09 0.00 0.00 178.44 178.88 3kx6 h LEU 94 N 0.45 0.98 -0.78 1.67 3.38 -1.05 -2.44 115.31 117.52 3kx6 h LEU 94 Ca 0.21 -0.25 0.04 0.00 0.09 0.00 0.00 57.88 57.96 3kx6 h LEU 94 Cb 0.13 -0.26 -0.05 0.00 0.09 0.00 0.00 40.66 40.57 3kx6 h LEU 94 CO -0.15 0.98 0.49 0.03 0.09 0.00 0.00 178.44 179.88 3kx6 h ARG 95 N 0.93 0.90 0.00 1.13 3.08 -1.00 -1.63 114.38 117.79 3kx6 h ARG 95 Ca 0.19 -0.05 -0.02 0.00 0.07 0.00 0.00 59.98 60.17 3kx6 h ARG 95 Cb 0.41 -0.20 -0.00 0.00 0.08 0.00 0.00 29.97 30.26 3kx6 h ARG 95 CO 0.01 0.60 -0.07 0.00 -1.07 0.00 0.00 179.97 179.43 3kx6 h ALA 96 N 1.34 1.79 -0.00 0.04 0.00 -0.82 -1.19 119.26 120.43 3kx6 h ALA 96 Ca 0.32 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.16 3kx6 h ALA 96 Cb 0.07 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.84 3kx6 h ALA 96 CO -0.13 0.09 -0.06 0.39 0.00 0.00 0.00 179.25 179.54 3kx6 n GLU 97 N -4.33 0.04 -1.77 0.00 -0.58 -0.82 -4.94 120.64 108.25 3kx6 n GLU 97 Ca -0.03 -0.00 -0.04 0.00 -0.42 0.00 0.00 57.16 56.66 3kx6 n GLU 97 Cb 0.15 -1.50 -0.01 0.00 -0.57 0.00 0.00 31.44 29.52 3kx6 n GLU 97 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3kx6 n GLY 98 N 1.48 0.36 3.43 0.62 0.00 -0.45 -3.87 105.19 106.76 3kx6 n GLY 98 Ca 0.07 -0.76 -0.33 0.00 0.00 0.00 0.00 46.02 45.00 3kx6 n GLY 98 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3kx6 s ILE 99 N -2.20 3.39 0.16 -0.61 1.01 -0.68 -4.89 121.20 117.39 3kx6 s ILE 99 Ca 0.00 -0.54 -0.30 0.00 0.00 0.00 0.00 60.65 59.81 3kx6 s ILE 99 Cb 0.00 -2.45 -0.08 0.00 0.01 0.00 0.00 42.46 39.95 3kx6 s ILE 99 CO 0.00 0.52 1.18 -0.76 0.00 0.00 0.00 174.94 175.87 3kx6 s LEU 100 N 0.28 4.45 0.32 2.97 1.43 -0.68 -3.95 118.68 123.50 3kx6 s LEU 100 Ca -0.07 2.16 -0.27 0.00 -1.03 0.00 0.00 54.13 54.93 3kx6 s LEU 100 Cb -0.15 -3.60 -0.10 0.00 0.03 0.00 0.00 46.19 42.37 3kx6 s LEU 100 CO 0.04 -0.35 0.96 -2.84 0.23 0.00 0.00 176.35 174.39 3kx6 s PRO 101 N -0.05 4.59 0.33 1.29 0.02 -1.26 -1.37 135.00 138.55 3kx6 s PRO 101 Ca 0.53 1.39 0.03 0.00 0.02 0.00 0.00 61.00 62.97 3kx6 s PRO 101 Cb -0.31 -2.86 -0.06 0.00 0.02 0.00 0.00 34.50 31.30 3kx6 s PRO 101 CO 0.35 0.27 0.07 0.20 -0.33 0.00 0.00 177.00 177.56 3kx6 s GLY 102 N -1.52 2.14 -0.09 0.52 0.00 0.26 -0.94 107.32 107.68 3kx6 s GLY 102 Ca 0.49 -1.90 -0.04 0.00 0.00 0.00 0.00 44.72 43.27 3kx6 s GLY 102 CO 0.26 -1.80 0.20 -1.50 0.00 0.00 0.00 173.10 170.26 3kx6 s ILE 103 N -3.32 -0.04 -0.02 0.90 1.10 -0.38 -0.60 121.20 118.84 3kx6 s ILE 103 Ca 0.34 0.14 -0.30 0.00 -0.51 0.00 0.00 60.65 60.33 3kx6 s ILE 103 Cb 0.08 -0.32 -0.04 0.00 0.15 0.00 0.00 42.46 42.33 3kx6 s ILE 103 CO 0.15 0.06 1.17 -0.75 -2.11 0.00 0.00 174.94 173.46 3kx6 s LYS 104 N 1.09 4.40 0.00 3.50 2.20 -0.71 -0.98 119.74 129.24 3kx6 s LYS 104 Ca -0.08 1.66 0.01 0.00 -0.36 0.00 0.00 55.97 57.20 3kx6 s LYS 104 Cb -0.10 -3.49 0.00 0.00 -1.51 0.00 0.00 37.83 32.74 3kx6 s LYS 104 CO -0.07 -0.35 0.41 1.33 -0.36 0.00 0.00 175.35 176.32 3kx6 n VAL 105 N 4.34 0.00 -1.86 4.02 0.24 -0.33 -4.66 118.33 120.08 3kx6 n VAL 105 Ca 0.10 -0.50 -0.31 0.00 -2.04 0.00 0.00 64.34 61.59 3kx6 n VAL 105 Cb 0.47 1.01 0.01 0.00 -1.47 0.00 0.00 33.84 33.86 3kx6 n VAL 105 CO 0.00 0.00 0.00 1.51 -2.14 0.00 0.00 176.83 176.20 3kx6 s ASP 106 N -0.26 6.15 -0.24 -1.34 1.47 -1.24 -4.85 116.67 116.36 3kx6 s ASP 106 Ca 0.01 1.45 0.12 0.00 1.18 0.00 0.00 52.55 55.31 3kx6 s ASP 106 Cb 0.00 -2.47 0.49 0.00 -0.34 0.00 0.00 42.92 40.60 3kx6 s ASP 106 CO 0.01 -0.92 1.41 0.29 0.68 0.00 0.00 175.17 176.64 3kx6 n LYS 107 N -2.74 2.12 0.00 2.11 5.02 -0.13 -4.96 118.16 119.57 3kx6 n LYS 107 Ca 0.06 -3.02 0.00 0.00 -2.02 0.00 0.00 58.31 53.33 3kx6 n LYS 107 Cb 0.54 -1.79 0.00 0.00 -0.02 0.00 0.00 35.03 33.76 3kx6 n LYS 107 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3kx6 n GLY 108 N -0.96 0.12 3.88 0.72 0.00 -1.26 -4.75 105.19 102.94 3kx6 n GLY 108 Ca 0.27 -1.98 -0.35 0.00 0.00 0.00 0.00 46.02 43.96 3kx6 n GLY 108 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kx6 s LEU 109 N -0.52 4.33 0.09 0.99 1.43 -1.26 -0.82 118.68 122.93 3kx6 s LEU 109 Ca 0.00 0.38 0.03 0.00 -1.03 0.00 0.00 54.13 53.51 3kx6 s LEU 109 Cb 0.00 -2.35 -0.04 0.00 0.03 0.00 0.00 46.19 43.83 3kx6 s LEU 109 CO 0.00 0.33 -0.08 0.68 0.23 0.00 0.00 176.35 177.51 3kx6 s VAL 110 N -1.19 0.77 0.31 -1.59 -7.23 -0.40 -4.97 120.40 106.11 3kx6 s VAL 110 Ca 0.22 -1.73 -0.27 0.00 -1.81 0.00 0.00 61.98 58.38 3kx6 s VAL 110 Cb -0.12 -1.44 -0.09 0.00 0.56 0.00 0.00 36.38 35.28 3kx6 s VAL 110 CO 0.12 -0.70 0.98 0.42 -0.31 0.00 0.00 175.10 175.61 3kx6 s THR 111 N -2.93 4.01 -0.11 5.32 -4.23 -1.26 -0.40 115.64 116.02 3kx6 s THR 111 Ca 0.07 1.77 -0.29 0.00 -1.18 0.00 0.00 61.69 62.06 3kx6 s THR 111 Cb 0.00 -4.03 -0.01 0.00 1.34 0.00 0.00 72.50 69.80 3kx6 s THR 111 CO -0.02 0.24 0.98 -0.63 -0.54 0.00 0.00 174.62 174.65 3kx6 s ILE 112 N -1.45 4.80 0.52 2.99 1.01 -0.14 -4.79 121.20 124.14 3kx6 s ILE 112 Ca 0.48 1.98 -0.22 0.00 0.00 0.00 0.00 60.65 62.89 3kx6 s ILE 112 Cb -0.23 -4.29 -0.06 0.00 0.01 0.00 0.00 42.46 37.89 3kx6 s ILE 112 CO 0.29 0.02 1.28 -2.65 0.00 0.00 0.00 174.94 173.87 3kx6 n PRO 113 N 4.99 1.65 -2.23 2.79 -0.02 -1.26 -2.72 135.00 138.20 3kx6 n PRO 113 Ca 0.08 0.60 -0.20 0.00 -2.02 0.00 0.00 63.50 61.97 3kx6 n PRO 113 Cb 0.49 -2.47 -0.02 0.00 -0.02 0.00 0.00 33.50 31.48 3kx6 n PRO 113 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3kx6 n ASN 114 N -0.64 -5.57 -4.68 2.55 3.02 -1.26 -5.00 115.26 103.68 3kx6 n ASN 114 Ca 0.10 0.07 -0.26 0.00 -0.03 0.00 0.00 54.58 54.45 3kx6 n ASN 114 Cb 0.44 -4.64 -0.09 0.00 -0.61 0.00 0.00 39.78 34.88 3kx6 n ASN 114 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 3kx6 s THR 115 N -2.93 2.17 -1.24 3.41 -4.23 -1.10 -5.04 115.64 106.67 3kx6 s THR 115 Ca 0.00 -1.85 -0.13 0.00 -1.18 0.00 0.00 61.69 58.53 3kx6 s THR 115 Cb 0.00 -2.99 0.16 0.00 1.34 0.00 0.00 72.50 71.01 3kx6 s THR 115 CO 0.00 -0.01 1.59 -0.67 -0.54 0.00 0.00 174.62 174.99 3kx6 n ASP 116 N -1.10 5.13 -3.01 3.99 2.03 -1.26 -4.55 116.55 117.77 3kx6 n ASP 116 Ca -0.03 -3.00 -0.22 0.00 0.52 0.00 0.00 54.79 52.06 3kx6 n ASP 116 Cb 0.66 -1.57 0.02 0.00 -0.72 0.00 0.00 41.12 39.50 3kx6 n ASP 116 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 3kx6 n GLU 117 N 5.54 -4.07 -2.75 -0.67 -0.58 -1.26 -4.99 120.64 111.85 3kx6 n GLU 117 Ca 0.39 0.80 -0.28 0.00 -0.42 0.00 0.00 57.16 57.64 3kx6 n GLU 117 Cb 0.41 -5.59 -0.01 0.00 -0.57 0.00 0.00 31.44 25.68 3kx6 n GLU 117 CO 0.00 0.00 0.00 -1.21 -0.48 0.00 0.00 177.13 175.44 3kx6 s GLU 118 N -5.67 3.63 0.23 3.49 2.02 -1.26 -4.94 118.70 116.19 3kx6 s GLU 118 Ca 0.28 0.28 0.09 0.00 0.02 0.00 0.00 54.97 55.63 3kx6 s GLU 118 Cb -0.13 -2.40 -0.05 0.00 0.10 0.00 0.00 34.13 31.65 3kx6 s GLU 118 CO 0.34 -0.12 -0.15 0.14 0.02 0.00 0.00 175.26 175.49 3kx6 s VAL 119 N -2.58 1.91 0.08 2.63 -7.23 -1.26 -0.96 120.40 112.98 3kx6 s VAL 119 Ca 0.48 -2.25 0.10 0.00 -1.81 0.00 0.00 61.98 58.50 3kx6 s VAL 119 Cb -0.10 -2.14 -0.03 0.00 0.56 0.00 0.00 36.38 34.67 3kx6 s VAL 119 CO 0.39 -0.53 -0.27 -0.55 -0.31 0.00 0.00 175.10 173.84 3kx6 s SER 120 N -3.37 3.21 -0.12 4.85 0.15 0.46 -4.78 113.70 114.10 3kx6 s SER 120 Ca 0.25 -0.65 -0.11 0.00 0.70 0.00 0.00 55.95 56.14 3kx6 s SER 120 Cb -0.01 -0.26 -0.05 0.00 -1.71 0.00 0.00 66.02 63.99 3kx6 s SER 120 CO 0.09 0.23 0.24 -0.89 1.20 0.00 0.00 173.24 174.11 3kx6 s THR 121 N -0.90 5.33 0.31 6.45 2.01 -1.26 -1.28 115.64 126.31 3kx6 s THR 121 Ca 0.12 0.44 0.06 0.00 0.31 0.00 0.00 61.69 62.63 3kx6 s THR 121 Cb -0.10 -3.54 -0.02 0.00 0.01 0.00 0.00 72.50 68.85 3kx6 s THR 121 CO 0.03 0.52 0.40 0.42 -0.69 0.00 0.00 174.62 175.30 3kx6 s THR 122 N -0.41 4.26 0.00 -0.82 -4.23 0.00 -4.86 115.64 109.58 3kx6 s THR 122 Ca 0.16 -1.08 0.00 0.00 -1.18 0.00 0.00 61.69 59.59 3kx6 s THR 122 Cb -0.13 -3.47 0.00 0.00 1.34 0.00 0.00 72.50 70.24 3kx6 s THR 122 CO 0.05 -0.21 0.00 0.61 -0.54 0.00 0.00 174.62 174.53 3kx6 n GLY 123 N -1.52 -0.15 0.20 3.99 0.00 -1.26 -0.96 105.19 105.49 3kx6 n GLY 123 Ca -0.03 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.03 3kx6 n GLY 123 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3kx6 h LEU 124 N 0.00 0.00 -9.32 0.99 3.38 -1.91 -3.37 115.31 105.08 3kx6 h LEU 124 Ca 0.00 0.00 -0.54 0.00 0.09 0.00 0.00 57.88 57.43 3kx6 h LEU 124 Cb 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 3kx6 h LEU 124 CO 0.00 0.31 1.03 -1.81 0.09 0.00 0.00 178.44 178.06 3kx6 s ASP 125 N -6.95 6.68 -0.13 -0.43 1.01 -1.26 -2.28 116.67 113.31 3kx6 s ASP 125 Ca -0.03 2.27 0.00 0.00 0.71 0.00 0.00 52.55 55.50 3kx6 s ASP 125 Cb 0.15 -2.54 0.00 0.00 1.01 0.00 0.00 42.92 41.53 3kx6 s ASP 125 CO 0.72 -0.88 0.00 0.61 0.21 0.00 0.00 175.17 175.82 3kx6 n GLY 126 N 4.02 0.45 0.27 0.21 0.00 -1.26 -4.94 105.19 103.93 3kx6 n GLY 126 Ca 0.16 -0.14 -0.06 0.00 0.00 0.00 0.00 46.02 45.97 3kx6 n GLY 126 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3kx6 h LEU 127 N 0.00 0.81 -0.33 0.99 5.85 -1.63 -1.04 115.31 119.96 3kx6 h LEU 127 Ca -0.02 -0.10 0.03 0.00 0.84 0.00 0.00 57.88 58.62 3kx6 h LEU 127 Cb 0.33 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 41.12 3kx6 h LEU 127 CO 0.04 0.68 0.15 0.00 -0.34 0.00 0.00 178.44 178.97 3kx6 h ALA 128 N 1.16 0.40 -0.50 1.25 0.00 -1.90 0.13 119.26 119.81 3kx6 h ALA 128 Ca 0.23 0.02 -0.10 0.00 0.00 0.00 0.00 54.91 55.06 3kx6 h ALA 128 Cb 0.06 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 3kx6 h ALA 128 CO -0.03 -0.23 -0.08 0.93 0.00 0.00 0.00 179.25 179.83 3kx6 h GLU 129 N 0.31 0.90 -0.44 0.00 3.07 -1.90 -0.85 114.58 115.67 3kx6 h GLU 129 Ca 0.14 -0.30 0.00 0.00 -0.50 0.00 0.00 59.36 58.70 3kx6 h GLU 129 Cb 0.07 -0.07 -0.02 0.00 -0.84 0.00 0.00 28.75 27.89 3kx6 h GLU 129 CO -0.11 0.94 0.28 0.00 -1.40 0.00 0.00 179.01 178.72 3kx6 h ARG 130 N 0.81 0.59 -0.88 2.33 3.08 -0.80 -2.19 114.38 117.32 3kx6 h ARG 130 Ca 0.14 -0.05 -0.00 0.00 0.07 0.00 0.00 59.98 60.14 3kx6 h ARG 130 Cb 0.59 -0.13 -0.04 0.00 0.08 0.00 0.00 29.97 30.47 3kx6 h ARG 130 CO 0.04 0.42 0.53 0.00 -1.07 0.00 0.00 179.97 179.89 3kx6 h GLN 132 N 1.21 0.24 -0.78 0.00 4.20 -0.99 0.21 115.11 119.21 3kx6 h GLN 132 Ca 0.32 -0.02 -0.05 0.00 0.06 0.00 0.00 58.65 58.96 3kx6 h GLN 132 Cb -0.06 -0.05 -0.03 0.00 0.30 0.00 0.00 27.48 27.63 3kx6 h GLN 132 CO -0.06 0.17 0.29 -0.22 -0.67 0.00 0.00 178.83 178.34 3kx6 h LYS 133 N 0.24 1.18 -0.32 1.46 3.64 -0.86 -1.56 116.57 120.35 3kx6 h LYS 133 Ca 0.07 -0.23 -0.14 0.00 -1.27 0.00 0.00 60.65 59.08 3kx6 h LYS 133 Cb -0.02 -0.18 -0.00 0.00 -0.41 0.00 0.00 32.23 31.61 3kx6 h LYS 133 CO -0.01 0.97 -0.33 1.88 -2.27 0.00 0.00 179.45 179.69 3kx6 h TYR 134 N 1.14 0.95 -0.32 1.91 0.05 -0.81 -1.98 116.97 117.92 3kx6 h TYR 134 Ca 0.26 -0.29 0.04 0.00 0.05 0.00 0.00 58.73 58.78 3kx6 h TYR 134 Cb 0.25 -0.20 -0.04 0.00 1.01 0.00 0.00 36.73 37.76 3kx6 h TYR 134 CO 0.02 1.07 0.11 -0.92 -1.05 0.00 0.00 178.16 177.39 3kx6 h TYR 135 N 0.56 0.19 -0.34 4.88 3.20 -0.79 -0.96 116.97 123.71 3kx6 h TYR 135 Ca 0.05 0.02 0.01 0.00 3.14 0.00 0.00 58.73 61.95 3kx6 h TYR 135 Cb 0.91 -0.04 -0.02 0.00 1.54 0.00 0.00 36.73 39.13 3kx6 h TYR 135 CO 0.07 0.08 0.22 -0.91 -1.64 0.00 0.00 178.16 175.98 3kx6 h ASN 136 N 0.24 0.35 0.69 -2.11 2.35 -1.15 -0.82 115.58 115.13 3kx6 h ASN 136 Ca 0.14 -0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.89 3kx6 h ASN 136 Cb 0.12 -0.08 0.00 0.00 0.05 0.00 0.00 38.32 38.40 3kx6 h ASN 136 CO -0.15 0.25 0.00 0.00 -1.65 0.00 0.00 177.43 175.87 3kx6 n ALA 137 N -2.50 2.40 0.00 -0.83 0.00 -0.76 -4.91 120.51 113.93 3kx6 n ALA 137 Ca 0.02 -0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.34 3kx6 n ALA 137 Cb 0.10 -1.47 0.00 0.00 0.00 0.00 0.00 19.45 18.08 3kx6 n ALA 137 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kx6 n GLY 138 N 1.28 1.27 3.77 0.00 0.00 -0.31 -4.96 105.19 106.24 3kx6 n GLY 138 Ca 0.12 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.75 3kx6 n GLY 138 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kx6 s ALA 139 N -2.00 3.18 0.00 4.61 0.00 -0.42 -4.40 121.76 122.72 3kx6 s ALA 139 Ca 0.00 1.09 0.00 0.00 0.00 0.00 0.00 51.96 53.05 3kx6 s ALA 139 Cb 0.00 -3.43 0.00 0.00 0.00 0.00 0.00 23.12 19.69 3kx6 s ALA 139 CO 0.00 -0.69 0.14 0.54 0.00 0.00 0.00 175.76 175.75 3kx6 n ARG 140 N 0.03 1.33 -4.03 0.00 5.12 -0.12 -4.11 116.66 114.89 3kx6 n ARG 140 Ca 0.04 -0.14 -0.08 0.00 -1.93 0.00 0.00 57.85 55.74 3kx6 n ARG 140 Cb 0.45 -0.53 -0.09 0.00 -1.16 0.00 0.00 32.46 31.13 3kx6 n ARG 140 CO 0.00 0.00 0.00 -0.59 -1.93 0.00 0.00 177.63 175.11 3kx6 s PHE 141 N -0.23 0.46 0.18 -1.55 -0.12 -1.22 -1.69 117.98 113.82 3kx6 s PHE 141 Ca 0.00 -0.94 0.05 0.00 -0.05 0.00 0.00 56.93 55.99 3kx6 s PHE 141 Cb 0.00 -0.29 -0.05 0.00 -0.63 0.00 0.00 43.02 42.06 3kx6 s PHE 141 CO 0.00 -0.47 -0.09 0.00 -0.05 0.00 0.00 175.22 174.61 3kx6 s ALA 142 N -3.93 1.67 0.00 1.99 0.00 0.28 -1.25 121.76 120.52 3kx6 s ALA 142 Ca 0.10 -1.59 0.02 0.00 0.00 0.00 0.00 51.96 50.49 3kx6 s ALA 142 Cb 0.07 0.09 -0.01 0.00 0.00 0.00 0.00 23.12 23.27 3kx6 s ALA 142 CO -0.08 -0.08 -0.06 0.21 0.00 0.00 0.00 175.76 175.75 3kx6 s LYS 143 N -3.74 0.49 -0.10 0.00 2.20 -0.15 -0.71 119.74 117.73 3kx6 s LYS 143 Ca 0.20 -0.29 -0.04 0.00 -0.36 0.00 0.00 55.97 55.48 3kx6 s LYS 143 Cb 0.02 -0.44 0.05 0.00 -1.51 0.00 0.00 37.83 35.95 3kx6 s LYS 143 CO 0.04 0.12 0.21 -0.46 -0.36 0.00 0.00 175.35 174.89 3kx6 s TRP 144 N -0.32 -0.30 -0.21 4.03 -0.11 -1.23 -1.19 118.94 119.63 3kx6 s TRP 144 Ca 0.01 0.76 -0.05 0.00 1.22 0.00 0.00 56.10 58.04 3kx6 s TRP 144 Cb -0.03 -0.10 -0.02 0.00 -1.50 0.00 0.00 33.47 31.82 3kx6 s TRP 144 CO -0.00 -0.28 -0.00 0.50 -4.62 0.00 0.00 176.95 172.54 3kx6 s ARG 145 N 2.01 3.56 0.06 5.86 3.52 -1.26 -3.27 118.95 129.43 3kx6 s ARG 145 Ca -0.01 -0.54 0.02 0.00 -0.13 0.00 0.00 55.73 55.07 3kx6 s ARG 145 Cb -0.12 -3.08 -0.04 0.00 -1.56 0.00 0.00 34.95 30.15 3kx6 s ARG 145 CO -0.07 -0.05 0.09 0.00 -0.81 0.00 0.00 175.30 174.45 3kx6 s ALA 146 N 1.16 3.60 -0.09 6.12 0.00 -0.50 -4.77 121.76 127.27 3kx6 s ALA 146 Ca 0.03 -0.97 0.03 0.00 0.00 0.00 0.00 51.96 51.04 3kx6 s ALA 146 Cb -0.14 -1.49 0.01 0.00 0.00 0.00 0.00 23.12 21.50 3kx6 s ALA 146 CO 0.01 0.75 -0.18 0.08 0.00 0.00 0.00 175.76 176.42 3kx6 s VAL 147 N -1.36 1.61 0.12 0.00 1.01 -1.26 -0.91 120.40 119.61 3kx6 s VAL 147 Ca 0.28 -0.75 0.09 0.00 0.00 0.00 0.00 61.98 61.60 3kx6 s VAL 147 Cb -0.12 -1.43 -0.04 0.00 0.00 0.00 0.00 36.38 34.79 3kx6 s VAL 147 CO 0.21 0.46 -0.22 -0.76 0.00 0.00 0.00 175.10 174.79 3kx6 s LEU 148 N 0.57 2.32 0.09 3.92 1.02 0.03 -4.48 118.68 122.15 3kx6 s LEU 148 Ca -0.15 -0.72 0.09 0.00 0.02 0.00 0.00 54.13 53.37 3kx6 s LEU 148 Cb -0.17 -0.96 -0.04 0.00 0.02 0.00 0.00 46.19 45.04 3kx6 s LEU 148 CO 0.05 0.08 -0.23 -0.44 0.02 0.00 0.00 176.35 175.83 3kx6 s SER 149 N -2.03 3.53 -0.20 2.29 0.01 -1.26 -0.78 113.70 115.26 3kx6 s SER 149 Ca 0.09 -0.60 -0.07 0.00 1.31 0.00 0.00 55.95 56.68 3kx6 s SER 149 Cb -0.10 -0.40 -0.04 0.00 0.21 0.00 0.00 66.02 65.70 3kx6 s SER 149 CO 0.05 0.21 0.06 -0.63 0.41 0.00 0.00 173.24 173.34 3kx6 s ILE 150 N -1.00 4.57 -0.27 1.44 1.01 -1.26 -1.62 121.20 124.07 3kx6 s ILE 150 Ca 0.15 -0.10 -0.01 0.00 0.00 0.00 0.00 60.65 60.68 3kx6 s ILE 150 Cb -0.10 -3.08 0.15 0.00 0.01 0.00 0.00 42.46 39.45 3kx6 s ILE 150 CO 0.06 0.43 0.45 -0.62 0.00 0.00 0.00 174.94 175.26 3kx6 s ASP 151 N 0.72 -0.22 0.10 3.58 -1.08 -0.44 -4.81 116.67 114.52 3kx6 s ASP 151 Ca 0.03 0.28 -0.14 0.00 -0.52 0.00 0.00 52.55 52.20 3kx6 s ASP 151 Cb -0.13 1.41 -0.09 0.00 -1.46 0.00 0.00 42.92 42.65 3kx6 s ASP 151 CO 0.02 -0.30 1.41 0.58 0.52 0.00 0.00 175.17 177.40 3kx6 h VAL 152 N 6.13 1.30 -0.59 1.11 2.07 -1.96 0.13 116.25 124.43 3kx6 h VAL 152 Ca -0.18 -1.51 0.07 0.00 0.82 0.00 0.00 66.70 65.90 3kx6 h VAL 152 Cb 1.15 1.61 -0.06 0.00 -1.52 0.00 0.00 31.29 32.48 3kx6 h VAL 152 CO 0.26 0.49 0.28 0.11 0.02 0.00 0.00 177.57 178.73 3kx6 h LYS 153 N 0.47 0.51 -0.09 1.57 6.56 -1.97 -1.99 116.57 121.63 3kx6 h LYS 153 Ca 0.04 -0.03 0.00 0.00 -1.06 0.00 0.00 60.65 59.60 3kx6 h LYS 153 Cb 0.92 -0.11 0.00 0.00 -0.57 0.00 0.00 32.23 32.46 3kx6 h LYS 153 CO 0.08 0.33 0.00 1.63 -2.06 0.00 0.00 179.45 179.43 3kx6 n LYS 154 N -4.90 1.49 -3.58 3.15 5.02 -1.14 -4.93 118.16 113.27 3kx6 n LYS 154 Ca 0.07 -0.73 -0.22 0.00 -2.02 0.00 0.00 58.31 55.41 3kx6 n LYS 154 Cb 0.20 -1.39 0.07 0.00 -0.02 0.00 0.00 35.03 33.89 3kx6 n LYS 154 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 3kx6 n ASN 155 N -0.07 -4.06 -4.83 4.39 5.15 -0.65 -4.93 115.26 110.27 3kx6 n ASN 155 Ca 0.17 -0.63 -0.36 0.00 -0.60 0.00 0.00 54.58 53.16 3kx6 n ASN 155 Cb 0.26 -4.84 -0.07 0.00 -0.53 0.00 0.00 39.78 34.60 3kx6 n ASN 155 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 3kx6 s LYS 156 N -5.97 3.31 0.14 1.20 1.02 0.36 -2.98 119.74 116.82 3kx6 s LYS 156 Ca 0.32 -0.24 -0.30 0.00 0.02 0.00 0.00 55.97 55.77 3kx6 s LYS 156 Cb -0.14 -3.07 -0.07 0.00 -0.52 0.00 0.00 37.83 34.03 3kx6 s LYS 156 CO 0.75 0.74 1.08 -1.25 -0.92 0.00 0.00 175.35 175.75 3kx6 s PRO 157 N -1.17 4.58 0.84 -1.68 0.04 -0.64 -1.33 135.00 135.65 3kx6 s PRO 157 Ca 0.17 1.66 -0.10 0.00 0.04 0.00 0.00 61.00 62.76 3kx6 s PRO 157 Cb -0.12 -3.32 0.10 0.00 0.04 0.00 0.00 34.50 31.20 3kx6 s PRO 157 CO 0.06 0.04 1.12 -1.54 0.04 0.00 0.00 177.00 176.72 3kx6 s SER 158 N 0.17 3.68 0.26 6.66 1.04 -1.16 -4.82 113.70 119.53 3kx6 s SER 158 Ca 0.51 2.04 -0.02 0.00 0.48 0.00 0.00 55.95 58.95 3kx6 s SER 158 Cb -0.28 -2.55 0.52 0.00 0.10 0.00 0.00 66.02 63.81 3kx6 s SER 158 CO 0.33 -2.59 1.73 0.78 0.98 0.00 0.00 173.24 174.47 3kx6 h ASN 159 N -1.46 0.35 -0.28 7.02 2.35 -2.00 -1.53 115.58 120.03 3kx6 h ASN 159 Ca -0.43 0.11 -0.03 0.00 -0.55 0.00 0.00 56.30 55.40 3kx6 h ASN 159 Cb 1.25 0.07 -0.01 0.00 0.05 0.00 0.00 38.32 39.68 3kx6 h ASN 159 CO 0.46 0.12 0.06 0.25 -1.65 0.00 0.00 177.43 176.68 3kx6 h LEU 160 N 0.49 0.44 -0.34 1.61 5.85 -1.99 0.09 115.31 121.46 3kx6 h LEU 160 Ca 0.45 -0.24 0.07 0.00 0.84 0.00 0.00 57.88 59.00 3kx6 h LEU 160 Cb 0.70 -0.12 -0.07 0.00 0.37 0.00 0.00 40.66 41.55 3kx6 h LEU 160 CO -0.41 0.56 -0.09 -1.28 -0.34 0.00 0.00 178.44 176.88 3kx6 h SER 161 N 0.29 -0.33 -0.39 1.25 0.87 -1.84 0.10 113.55 113.51 3kx6 h SER 161 Ca 0.09 0.10 -0.02 0.00 -1.23 0.00 0.00 61.79 60.73 3kx6 h SER 161 Cb 0.30 0.22 -0.02 0.00 -0.44 0.00 0.00 62.40 62.46 3kx6 h SER 161 CO 0.00 -0.12 0.15 0.40 -0.53 0.00 0.00 176.83 176.74 3kx6 h ILE 162 N -0.01 1.20 -0.59 2.23 2.04 -0.95 -0.32 117.51 121.11 3kx6 h ILE 162 Ca 0.16 -0.62 -0.00 0.00 1.00 0.00 0.00 64.86 65.40 3kx6 h ILE 162 Cb 0.25 0.87 -0.03 0.00 -0.74 0.00 0.00 36.82 37.18 3kx6 h ILE 162 CO -0.35 0.22 0.36 0.25 0.00 0.00 0.00 178.15 178.63 3kx6 h LEU 163 N 0.49 0.71 -0.20 1.44 6.46 -0.80 0.86 115.31 124.26 3kx6 h LEU 163 Ca 0.13 -0.06 -0.10 0.00 -0.12 0.00 0.00 57.88 57.74 3kx6 h LEU 163 Cb 0.20 -0.18 -0.00 0.00 -0.73 0.00 0.00 40.66 39.95 3kx6 h LEU 163 CO -0.01 0.56 -0.25 -0.08 -0.62 0.00 0.00 178.44 178.04 3kx6 h GLU 164 N 0.80 0.52 -0.08 1.25 4.57 -0.90 -1.40 114.58 119.35 3kx6 h GLU 164 Ca 0.21 -0.30 0.03 0.00 -1.18 0.00 0.00 59.36 58.12 3kx6 h GLU 164 Cb -0.02 0.02 -0.03 0.00 -0.16 0.00 0.00 28.75 28.56 3kx6 h GLU 164 CO -0.04 0.89 -0.09 1.15 -1.18 0.00 0.00 179.01 179.74 3kx6 h THR 165 N 0.19 0.74 -0.08 0.32 2.02 -0.82 -1.31 112.91 113.98 3kx6 h THR 165 Ca 0.03 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.20 3kx6 h THR 165 Cb 0.82 0.74 -0.00 0.00 -1.74 0.00 0.00 68.15 67.97 3kx6 h THR 165 CO 0.06 0.00 0.01 0.00 0.37 0.00 0.00 175.52 175.96 3kx6 h ALA 166 N 0.93 0.11 -0.12 6.16 0.00 -0.78 -1.41 119.26 124.15 3kx6 h ALA 166 Ca 0.06 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.83 3kx6 h ALA 166 Cb 0.21 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 3kx6 h ALA 166 CO -0.15 -0.25 0.07 1.25 0.00 0.00 0.00 179.25 180.17 3kx6 h HIS 167 N -0.11 0.12 -0.28 0.00 -0.00 -1.24 -1.49 115.15 112.16 3kx6 h HIS 167 Ca 0.02 0.00 -0.17 0.00 -0.00 0.00 0.00 60.37 60.22 3kx6 h HIS 167 Cb 0.28 -0.04 -0.00 0.00 -0.00 0.00 0.00 27.41 27.65 3kx6 h HIS 167 CO 0.02 0.07 -0.52 1.15 -0.00 0.00 0.00 177.93 178.65 3kx6 h THR 168 N 0.14 1.28 -0.60 6.26 2.02 -1.23 -1.42 112.91 119.36 3kx6 h THR 168 Ca 0.05 -1.71 -0.02 0.00 0.77 0.00 0.00 66.41 65.50 3kx6 h THR 168 Cb -0.00 1.61 -0.03 0.00 -1.74 0.00 0.00 68.15 67.99 3kx6 h THR 168 CO -0.03 0.55 0.31 -0.07 0.37 0.00 0.00 175.52 176.66 3kx6 h LEU 169 N 0.63 0.75 -0.51 2.58 3.38 -1.19 -1.96 115.31 118.98 3kx6 h LEU 169 Ca 0.02 -0.06 -0.14 0.00 0.09 0.00 0.00 57.88 57.78 3kx6 h LEU 169 Cb 1.10 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.65 3kx6 h LEU 169 CO 0.11 0.62 -0.34 0.00 0.09 0.00 0.00 178.44 178.92 3kx6 h ALA 170 N 1.50 0.70 -0.10 1.53 0.00 -0.79 -1.03 119.26 121.07 3kx6 h ALA 170 Ca 0.21 -0.43 -0.00 0.00 0.00 0.00 0.00 54.91 54.69 3kx6 h ALA 170 Cb 0.05 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.71 3kx6 h ALA 170 CO -0.03 0.67 0.06 0.00 0.00 0.00 0.00 179.25 179.94 3kx6 h ARG 171 N 0.70 0.13 -0.29 0.00 2.47 -0.99 -1.09 114.38 115.32 3kx6 h ARG 171 Ca 0.07 -0.01 0.03 0.00 -1.26 0.00 0.00 59.98 58.80 3kx6 h ARG 171 Cb 0.90 -0.03 -0.03 0.00 -1.65 0.00 0.00 29.97 29.17 3kx6 h ARG 171 CO 0.08 0.14 0.11 -0.92 0.56 0.00 0.00 179.97 179.95 3kx6 h TYR 172 N 0.08 0.21 -0.39 3.04 3.20 -1.27 -0.91 116.97 120.93 3kx6 h TYR 172 Ca 0.03 0.01 0.02 0.00 3.14 0.00 0.00 58.73 61.94 3kx6 h TYR 172 Cb 0.05 -0.05 -0.03 0.00 1.54 0.00 0.00 36.73 38.24 3kx6 h TYR 172 CO -0.05 0.10 0.23 0.00 -1.64 0.00 0.00 178.16 176.80 3kx6 h ALA 173 N 1.18 0.50 -0.56 1.82 0.00 -1.02 0.18 119.26 121.35 3kx6 h ALA 173 Ca 0.13 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.99 3kx6 h ALA 173 Cb 0.08 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 3kx6 h ALA 173 CO -0.12 -0.11 0.16 0.00 0.00 0.00 0.00 179.25 179.19 3kx6 h ALA 174 N 1.18 0.73 -0.52 0.00 0.00 -0.96 -1.93 119.26 117.76 3kx6 h ALA 174 Ca 0.16 -0.20 -0.08 0.00 0.00 0.00 0.00 54.91 54.79 3kx6 h ALA 174 Cb 0.01 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 3kx6 h ALA 174 CO -0.08 0.41 0.02 0.82 0.00 0.00 0.00 179.25 180.42 3kx6 h ILE 175 N 0.78 1.26 -0.30 0.00 2.04 -0.84 -1.71 117.51 118.74 3kx6 h ILE 175 Ca 0.18 -1.07 0.04 0.00 1.00 0.00 0.00 64.86 65.01 3kx6 h ILE 175 Cb 0.30 0.92 -0.04 0.00 -0.74 0.00 0.00 36.82 37.26 3kx6 h ILE 175 CO -0.00 0.38 0.07 0.00 0.00 0.00 0.00 178.15 178.59 3kx6 h GLN 177 N 0.18 0.64 0.00 0.00 4.20 -1.11 -0.57 115.11 118.46 3kx6 h GLN 177 Ca 0.14 -0.10 -0.02 0.00 0.06 0.00 0.00 58.65 58.73 3kx6 h GLN 177 Cb 0.14 -0.11 -0.00 0.00 0.30 0.00 0.00 27.48 27.81 3kx6 h GLN 177 CO -0.18 0.56 -0.10 1.49 -0.67 0.00 0.00 178.83 179.93 3kx6 h GLU 178 N 0.64 0.00 0.00 1.46 4.81 -0.92 -3.20 114.58 117.36 3kx6 h GLU 178 Ca 0.15 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.38 3kx6 h GLU 178 Cb 0.18 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.56 3kx6 h GLU 178 CO -0.01 0.10 -0.17 0.09 -0.73 0.00 0.00 179.01 178.29 3kx6 n ASN 179 N -3.41 2.12 0.00 1.04 3.02 -0.33 -4.85 115.26 112.86 3kx6 n ASN 179 Ca -0.01 -3.35 0.00 0.00 -0.03 0.00 0.00 54.58 51.19 3kx6 n ASN 179 Cb 0.26 -0.46 0.00 0.00 -0.61 0.00 0.00 39.78 38.97 3kx6 n ASN 179 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3kx6 n GLY 180 N -1.32 0.75 3.40 7.41 0.00 -0.75 -4.51 105.19 110.17 3kx6 n GLY 180 Ca 0.17 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.86 3kx6 n GLY 180 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kx6 s LEU 181 N 0.00 2.61 -0.18 0.99 1.43 -0.56 -4.83 118.68 118.14 3kx6 s LEU 181 Ca 0.00 -0.30 -0.29 0.00 -1.03 0.00 0.00 54.13 52.51 3kx6 s LEU 181 Cb 0.00 -1.54 -0.01 0.00 0.03 0.00 0.00 46.19 44.67 3kx6 s LEU 181 CO 0.00 0.27 1.25 -0.69 0.23 0.00 0.00 176.35 177.41 3kx6 s VAL 182 N -0.28 4.30 -0.06 -1.59 1.01 -0.68 -3.15 120.40 119.95 3kx6 s VAL 182 Ca 0.02 1.57 -0.26 0.00 0.00 0.00 0.00 61.98 63.30 3kx6 s VAL 182 Cb -0.13 -4.03 -0.03 0.00 0.00 0.00 0.00 36.38 32.19 3kx6 s VAL 182 CO 0.03 -0.16 0.83 -2.16 0.00 0.00 0.00 175.10 173.63 3kx6 s PRO 183 N 3.52 4.46 -0.24 2.72 0.04 -1.26 -0.56 135.00 143.69 3kx6 s PRO 183 Ca 0.54 1.11 -0.27 0.00 0.04 0.00 0.00 61.00 62.42 3kx6 s PRO 183 Cb -0.21 -3.47 0.00 0.00 0.04 0.00 0.00 34.50 30.86 3kx6 s PRO 183 CO 0.14 -0.04 0.94 0.42 0.04 0.00 0.00 177.00 178.51 3kx6 s ILE 184 N 1.10 4.74 -0.40 0.56 1.01 0.12 -1.82 121.20 126.52 3kx6 s ILE 184 Ca 0.43 1.79 -0.16 0.00 0.00 0.00 0.00 60.65 62.71 3kx6 s ILE 184 Cb -0.19 -4.23 0.01 0.00 0.01 0.00 0.00 42.46 38.07 3kx6 s ILE 184 CO 0.21 -0.15 0.40 -0.69 0.00 0.00 0.00 174.94 174.71 3kx6 s VAL 185 N 3.06 5.13 -0.48 2.92 1.01 0.37 -3.50 120.40 128.91 3kx6 s VAL 185 Ca 0.40 -0.27 0.03 0.00 0.00 0.00 0.00 61.98 62.14 3kx6 s VAL 185 Cb -0.15 -3.97 0.13 0.00 0.00 0.00 0.00 36.38 32.39 3kx6 s VAL 185 CO 0.07 -0.32 0.23 -0.70 0.00 0.00 0.00 175.10 174.38 3kx6 s GLU 186 N 2.05 1.92 -0.94 2.72 2.12 -1.20 -0.83 118.70 124.53 3kx6 s GLU 186 Ca 0.11 -2.42 -0.15 0.00 0.36 0.00 0.00 54.97 52.87 3kx6 s GLU 186 Cb -0.17 -3.34 0.19 0.00 0.26 0.00 0.00 34.13 31.07 3kx6 s GLU 186 CO 0.13 -1.07 1.01 -1.25 -0.54 0.00 0.00 175.26 173.53 3kx6 s PRO 187 N 0.04 3.73 -0.43 4.30 0.04 -1.25 -1.41 135.00 140.02 3kx6 s PRO 187 Ca 0.15 -2.31 -0.28 0.00 0.04 0.00 0.00 61.00 58.60 3kx6 s PRO 187 Cb -0.24 -4.69 0.02 0.00 0.04 0.00 0.00 34.50 29.64 3kx6 s PRO 187 CO -0.02 -1.51 1.06 -2.00 0.04 0.00 0.00 177.00 174.57 3kx6 s GLU 188 N 1.06 3.78 -0.24 4.56 2.12 -0.09 -4.36 118.70 125.54 3kx6 s GLU 188 Ca 0.28 0.61 -0.18 0.00 0.36 0.00 0.00 54.97 56.03 3kx6 s GLU 188 Cb -0.07 -3.86 -0.03 0.00 0.26 0.00 0.00 34.13 30.43 3kx6 s GLU 188 CO -0.08 -1.20 0.53 0.42 -0.54 0.00 0.00 175.26 174.39 3kx6 s ILE 189 N 4.05 5.07 0.57 -3.70 1.01 -1.26 -0.79 121.20 126.14 3kx6 s ILE 189 Ca 0.44 0.94 -0.19 0.00 0.00 0.00 0.00 60.65 61.84 3kx6 s ILE 189 Cb -0.09 -3.85 -0.05 0.00 0.01 0.00 0.00 42.46 38.48 3kx6 s ILE 189 CO 0.26 0.10 1.14 -0.76 0.00 0.00 0.00 174.94 175.67 3kx6 s LEU 190 N 2.17 3.68 0.00 2.97 1.43 0.04 -4.80 118.68 124.17 3kx6 s LEU 190 Ca 0.23 2.17 0.16 0.00 -1.03 0.00 0.00 54.13 55.66 3kx6 s LEU 190 Cb -0.16 -4.58 0.58 0.00 0.03 0.00 0.00 46.19 42.06 3kx6 s LEU 190 CO 0.09 -1.34 1.43 0.00 0.23 0.00 0.00 176.35 176.76 3kx6 n ALA 191 N -1.53 2.50 -1.67 4.21 0.00 -1.26 -4.52 120.51 118.23 3kx6 n ALA 191 Ca 0.12 -0.51 -0.41 0.00 0.00 0.00 0.00 53.44 52.63 3kx6 n ALA 191 Cb 0.51 -1.05 0.01 0.00 0.00 0.00 0.00 19.45 18.92 3kx6 n ALA 191 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3kx6 n ASP 192 N 0.30 2.14 0.00 0.00 8.00 -1.26 -0.47 116.55 125.26 3kx6 n ASP 192 Ca 0.14 1.08 0.00 0.00 0.71 0.00 0.00 54.79 56.71 3kx6 n ASP 192 Cb 0.29 -1.46 0.00 0.00 -0.02 0.00 0.00 41.12 39.93 3kx6 n ASP 192 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3kx6 n GLY 193 N 0.93 -2.49 0.11 0.44 0.00 -1.26 -4.65 105.19 98.27 3kx6 n GLY 193 Ca 0.08 -2.09 0.03 0.00 0.00 0.00 0.00 46.02 44.04 3kx6 n GLY 193 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3kx6 n ASP 194 N 0.00 2.25 -4.39 1.61 3.85 -1.26 -0.99 116.55 117.63 3kx6 n ASP 194 Ca 0.00 -2.33 -0.37 0.00 -0.71 0.00 0.00 54.79 51.38 3kx6 n ASP 194 Cb 0.00 -0.16 0.05 0.00 -1.35 0.00 0.00 41.12 39.67 3kx6 n ASP 194 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 3kx6 n HIS 195 N -0.66 -1.53 -1.98 2.11 1.44 -1.26 -4.07 115.22 109.27 3kx6 n HIS 195 Ca 0.06 0.35 -0.29 0.00 -2.01 0.00 0.00 57.72 55.83 3kx6 n HIS 195 Cb 0.39 -1.84 0.06 0.00 0.12 0.00 0.00 29.99 28.73 3kx6 n HIS 195 CO 0.00 0.00 0.00 -1.54 -2.81 0.00 0.00 176.34 171.99 3kx6 s SER 196 N -1.31 5.05 0.36 4.39 1.04 -1.26 -0.45 113.70 121.52 3kx6 s SER 196 Ca 0.62 0.88 0.08 0.00 0.48 0.00 0.00 55.95 58.01 3kx6 s SER 196 Cb -0.37 -1.57 0.69 0.00 0.10 0.00 0.00 66.02 64.87 3kx6 s SER 196 CO 0.61 -1.55 1.87 -0.29 0.98 0.00 0.00 173.24 174.87 3kx6 h ILE 197 N -0.74 1.20 -0.76 -1.02 2.10 -1.90 -2.41 117.51 113.97 3kx6 h ILE 197 Ca -0.45 -0.90 -0.06 0.00 1.08 0.00 0.00 64.86 64.53 3kx6 h ILE 197 Cb 1.29 1.24 -0.03 0.00 -1.09 0.00 0.00 36.82 38.22 3kx6 h ILE 197 CO 0.64 0.28 0.26 -0.08 -1.08 0.00 0.00 178.15 178.17 3kx6 h GLU 198 N 0.28 1.17 -0.29 2.19 4.81 -1.93 0.11 114.58 120.92 3kx6 h GLU 198 Ca 0.05 -0.24 -0.02 0.00 -0.13 0.00 0.00 59.36 59.02 3kx6 h GLU 198 Cb 0.44 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.63 3kx6 h GLU 198 CO 0.03 0.98 0.09 0.28 -0.73 0.00 0.00 179.01 179.66 3kx6 h VAL 199 N 1.13 1.20 -0.57 0.32 2.07 -1.84 -1.25 116.25 117.32 3kx6 h VAL 199 Ca 0.25 -0.64 0.07 0.00 0.82 0.00 0.00 66.70 67.20 3kx6 h VAL 199 Cb 0.28 1.07 -0.06 0.00 -1.52 0.00 0.00 31.29 31.06 3kx6 h VAL 199 CO -0.01 0.21 0.24 0.00 0.02 0.00 0.00 177.57 178.03 3kx6 h ALA 201 N 1.36 0.49 -0.38 0.00 0.00 -0.38 0.14 119.26 120.48 3kx6 h ALA 201 Ca 0.27 0.07 -0.07 0.00 0.00 0.00 0.00 54.91 55.17 3kx6 h ALA 201 Cb 0.27 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 3kx6 h ALA 201 CO -0.24 -0.27 -0.05 1.49 0.00 0.00 0.00 179.25 180.18 3kx6 h GLU 202 N 0.27 0.71 -0.27 0.00 4.22 -0.76 -1.22 114.58 117.53 3kx6 h GLU 202 Ca 0.20 -0.25 -0.06 0.00 0.08 0.00 0.00 59.36 59.33 3kx6 h GLU 202 Cb 0.22 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.41 3kx6 h GLU 202 CO -0.23 0.83 -0.07 0.28 -2.18 0.00 0.00 179.01 177.64 3kx6 h VAL 203 N 0.52 1.28 -0.74 0.32 2.07 -0.74 -2.11 116.25 116.86 3kx6 h VAL 203 Ca 0.10 -1.10 0.00 0.00 0.82 0.00 0.00 66.70 66.53 3kx6 h VAL 203 Cb 0.54 1.45 -0.04 0.00 -1.52 0.00 0.00 31.29 31.72 3kx6 h VAL 203 CO 0.03 0.35 0.48 0.74 0.02 0.00 0.00 177.57 179.18 3kx6 h THR 204 N 0.28 1.20 -0.43 2.57 2.02 -0.57 -0.63 112.91 117.34 3kx6 h THR 204 Ca 0.07 -0.38 -0.03 0.00 0.77 0.00 0.00 66.41 66.84 3kx6 h THR 204 Cb 0.55 0.12 -0.02 0.00 -1.74 0.00 0.00 68.15 67.06 3kx6 h THR 204 CO 0.03 0.19 0.15 -0.33 0.37 0.00 0.00 175.52 175.93 3kx6 h GLU 205 N 1.00 0.66 -0.30 6.66 5.08 -1.14 0.00 114.58 126.54 3kx6 h GLU 205 Ca 0.27 -0.13 0.00 0.00 -1.00 0.00 0.00 59.36 58.50 3kx6 h GLU 205 Cb -0.09 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.04 3kx6 h GLU 205 CO -0.06 0.63 0.19 0.00 -1.00 0.00 0.00 179.01 178.78 3kx6 h ARG 206 N 0.55 0.40 -0.47 2.33 3.08 -0.93 -1.45 114.38 117.89 3kx6 h ARG 206 Ca 0.14 -0.03 -0.08 0.00 0.07 0.00 0.00 59.98 60.09 3kx6 h ARG 206 Cb 0.24 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.18 3kx6 h ARG 206 CO -0.01 0.28 -0.01 0.28 -1.07 0.00 0.00 179.97 179.44 3kx6 h VAL 207 N 0.40 1.26 -0.27 2.04 2.07 -0.99 -2.49 116.25 118.27 3kx6 h VAL 207 Ca 0.11 -1.08 -0.12 0.00 0.82 0.00 0.00 66.70 66.43 3kx6 h VAL 207 Cb -0.03 1.02 -0.01 0.00 -1.52 0.00 0.00 31.29 30.74 3kx6 h VAL 207 CO -0.02 0.37 -0.34 -0.07 0.02 0.00 0.00 177.57 177.53 3kx6 h LEU 208 N 0.69 0.61 -0.78 2.57 3.38 -0.89 -0.98 115.31 119.92 3kx6 h LEU 208 Ca 0.13 -0.25 0.04 0.00 0.09 0.00 0.00 57.88 57.90 3kx6 h LEU 208 Cb 0.52 -0.17 -0.05 0.00 0.09 0.00 0.00 40.66 41.05 3kx6 h LEU 208 CO 0.03 0.91 0.48 0.00 0.09 0.00 0.00 178.44 179.95 3kx6 h ALA 209 N 1.13 1.04 -0.44 1.53 0.00 -1.17 -0.73 119.26 120.61 3kx6 h ALA 209 Ca 0.05 -0.02 -0.12 0.00 0.00 0.00 0.00 54.91 54.82 3kx6 h ALA 209 Cb 0.83 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 3kx6 h ALA 209 CO 0.07 0.25 -0.20 0.00 0.00 0.00 0.00 179.25 179.37 3kx6 h ALA 210 N 1.35 0.62 -0.07 0.00 0.00 -1.12 -2.22 119.26 117.82 3kx6 h ALA 210 Ca 0.32 -0.38 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 3kx6 h ALA 210 Cb 0.08 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.71 3kx6 h ALA 210 CO -0.14 0.59 0.02 0.28 0.00 0.00 0.00 179.25 180.01 3kx6 h VAL 211 N 0.75 1.16 -0.16 0.00 2.07 -0.83 -1.63 116.25 117.63 3kx6 h VAL 211 Ca 0.10 -0.49 -0.12 0.00 0.82 0.00 0.00 66.70 67.01 3kx6 h VAL 211 Cb 0.77 1.35 -0.01 0.00 -1.52 0.00 0.00 31.29 31.88 3kx6 h VAL 211 CO 0.06 0.14 -0.44 -0.26 0.02 0.00 0.00 177.57 177.09 3kx6 h PHE 212 N -0.07 0.45 -0.26 1.57 -1.00 -1.17 -0.47 116.94 116.00 3kx6 h PHE 212 Ca 0.02 -0.13 -0.00 0.00 2.81 0.00 0.00 57.97 60.67 3kx6 h PHE 212 Cb 0.20 -0.10 -0.01 0.00 3.61 0.00 0.00 35.95 39.65 3kx6 h PHE 212 CO -0.01 0.75 0.15 -0.22 -1.61 0.00 0.00 178.31 177.38 3kx6 h LYS 213 N 0.31 0.35 -0.53 1.51 1.63 -1.36 -1.00 116.57 117.48 3kx6 h LYS 213 Ca 0.02 -0.03 -0.00 0.00 -0.85 0.00 0.00 60.65 59.79 3kx6 h LYS 213 Cb 0.90 -0.07 -0.03 0.00 -0.60 0.00 0.00 32.23 32.43 3kx6 h LYS 213 CO 0.07 0.28 0.31 0.00 -3.45 0.00 0.00 179.45 176.67 3kx6 h ALA 214 N 1.05 0.67 -0.93 5.00 0.00 -0.92 0.28 119.26 124.41 3kx6 h ALA 214 Ca 0.09 -0.07 0.10 0.00 0.00 0.00 0.00 54.91 55.02 3kx6 h ALA 214 Cb 0.03 -0.21 -0.08 0.00 0.00 0.00 0.00 17.79 17.53 3kx6 h ALA 214 CO -0.02 0.16 0.57 -0.07 0.00 0.00 0.00 179.25 179.89 3kx6 h LEU 215 N 0.70 0.85 -0.10 0.00 3.38 -0.93 0.29 115.31 119.50 3kx6 h LEU 215 Ca 0.19 0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.19 3kx6 h LEU 215 Cb -0.00 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 40.61 3kx6 h LEU 215 CO -0.03 0.49 0.03 -1.13 0.09 0.00 0.00 178.44 177.88 3kx6 h ASN 216 N 0.95 0.14 -0.46 -0.43 -0.73 -0.68 -1.20 115.58 113.16 3kx6 h ASN 216 Ca 0.44 -0.20 0.03 0.00 1.87 0.00 0.00 56.30 58.43 3kx6 h ASN 216 Cb 0.36 -0.04 -0.02 0.00 0.27 0.00 0.00 38.32 38.89 3kx6 h ASN 216 CO -0.23 0.30 0.31 0.44 -0.37 0.00 0.00 177.43 177.88 3kx6 h ASP 217 N -0.03 0.46 -0.26 1.15 3.32 -0.09 -1.66 116.42 119.30 3kx6 h ASP 217 Ca 0.03 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.07 3kx6 h ASP 217 Cb 0.22 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 39.66 3kx6 h ASP 217 CO -0.00 0.32 0.00 1.41 -1.72 0.00 0.00 179.24 179.25 3kx6 n HIS 218 N -4.47 0.34 -3.59 4.55 8.25 0.01 -4.95 115.22 115.36 3kx6 n HIS 218 Ca 0.05 -0.17 -0.23 0.00 -0.26 0.00 0.00 57.72 57.11 3kx6 n HIS 218 Cb 0.13 0.00 0.07 0.00 1.12 0.00 0.00 29.99 31.31 3kx6 n HIS 218 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 3kx6 n LYS 219 N 0.56 -7.16 -2.81 -0.41 5.02 -0.62 -4.87 118.16 107.85 3kx6 n LYS 219 Ca 0.16 0.80 -0.41 0.00 -2.02 0.00 0.00 58.31 56.83 3kx6 n LYS 219 Cb 0.36 -5.80 -0.04 0.00 -0.02 0.00 0.00 35.03 29.53 3kx6 n LYS 219 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3kx6 s VAL 220 N -3.35 4.78 -0.55 -0.18 1.01 -0.49 -5.00 120.40 116.61 3kx6 s VAL 220 Ca 0.40 1.89 -0.28 0.00 0.00 0.00 0.00 61.98 63.99 3kx6 s VAL 220 Cb -0.18 -4.24 0.02 0.00 0.00 0.00 0.00 36.38 31.98 3kx6 s VAL 220 CO 0.75 0.25 1.32 -0.22 0.00 0.00 0.00 175.10 177.20 3kx6 s LEU 221 N 0.53 3.45 0.36 3.92 2.96 -1.26 -4.73 118.68 123.91 3kx6 s LEU 221 Ca 0.46 0.29 0.06 0.00 -0.22 0.00 0.00 54.13 54.72 3kx6 s LEU 221 Cb -0.21 -3.17 0.69 0.00 0.50 0.00 0.00 46.19 44.00 3kx6 s LEU 221 CO 0.26 -1.58 1.91 -0.07 -1.32 0.00 0.00 176.35 175.55 3kx6 h LEU 222 N 12.50 0.41 -2.59 -0.68 3.38 -1.94 -1.29 115.31 125.10 3kx6 h LEU 222 Ca -0.26 -0.07 -0.00 0.00 0.09 0.00 0.00 57.88 57.64 3kx6 h LEU 222 Cb 1.08 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 41.72 3kx6 h LEU 222 CO 1.17 0.48 -0.01 -0.33 0.09 0.00 0.00 178.44 179.83 3kx6 h GLU 223 N 0.42 0.00 -0.53 1.13 3.07 -1.91 -2.03 114.58 114.74 3kx6 h GLU 223 Ca 0.09 0.00 -0.35 0.00 -0.50 0.00 0.00 59.36 58.60 3kx6 h GLU 223 Cb 0.29 0.00 -0.24 0.00 -0.84 0.00 0.00 28.75 27.97 3kx6 h GLU 223 CO 0.01 0.01 -0.32 0.41 -1.40 0.00 0.00 179.01 177.72 3kx6 n GLY 224 N -1.09 5.65 3.19 -3.84 0.00 -0.49 -4.18 105.19 104.42 3kx6 n GLY 224 Ca -0.03 -1.93 -0.11 0.00 0.00 0.00 0.00 46.02 43.95 3kx6 n GLY 224 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kx6 s ALA 225 N -3.46 1.07 0.04 4.61 0.00 -0.76 -4.06 121.76 119.21 3kx6 s ALA 225 Ca 0.48 -1.58 0.01 0.00 0.00 0.00 0.00 51.96 50.87 3kx6 s ALA 225 Cb 0.41 0.99 -0.03 0.00 0.00 0.00 0.00 23.12 24.49 3kx6 s ALA 225 CO 0.00 -0.49 -0.05 -0.51 0.00 0.00 0.00 175.76 174.71 3kx6 s LEU 226 N -3.11 2.32 -0.01 0.00 1.43 -0.75 -4.12 118.68 114.43 3kx6 s LEU 226 Ca 0.29 -0.66 0.03 0.00 -1.03 0.00 0.00 54.13 52.76 3kx6 s LEU 226 Cb 0.07 0.01 -0.03 0.00 0.03 0.00 0.00 46.19 46.27 3kx6 s LEU 226 CO 0.06 -0.34 -0.09 -0.22 0.23 0.00 0.00 176.35 175.99 3kx6 s LEU 227 N -1.93 3.06 -0.52 1.79 2.96 -0.98 -0.47 118.68 122.58 3kx6 s LEU 227 Ca -0.07 -0.16 0.04 0.00 -0.22 0.00 0.00 54.13 53.72 3kx6 s LEU 227 Cb -0.05 -1.73 0.15 0.00 0.50 0.00 0.00 46.19 45.06 3kx6 s LEU 227 CO -0.02 0.30 0.35 -0.75 -1.32 0.00 0.00 176.35 174.90 3kx6 s LYS 228 N -1.24 1.58 0.34 1.98 2.20 -0.01 -0.17 119.74 124.42 3kx6 s LYS 228 Ca 0.15 -2.48 0.03 0.00 -0.36 0.00 0.00 55.97 53.32 3kx6 s LYS 228 Cb -0.11 -2.47 -0.02 0.00 -1.51 0.00 0.00 37.83 33.72 3kx6 s LYS 228 CO 0.05 -1.26 0.51 -1.25 -0.36 0.00 0.00 175.35 173.05 3kx6 s PRO 229 N -0.31 3.29 0.64 4.03 0.04 -1.26 -3.78 135.00 137.64 3kx6 s PRO 229 Ca 0.24 -0.64 -0.18 0.00 0.04 0.00 0.00 61.00 60.47 3kx6 s PRO 229 Cb -0.11 -2.73 -0.01 0.00 0.04 0.00 0.00 34.50 31.69 3kx6 s PRO 229 CO -0.10 0.10 1.23 0.54 0.04 0.00 0.00 177.00 178.80 3kx6 s ASN 230 N -4.10 4.82 0.87 6.66 4.22 -1.26 -2.46 114.94 123.69 3kx6 s ASN 230 Ca 0.42 2.43 -0.11 0.00 -2.14 0.00 0.00 52.86 53.45 3kx6 s ASN 230 Cb -0.10 -2.60 0.11 0.00 1.28 0.00 0.00 41.25 39.95 3kx6 s ASN 230 CO 0.34 -1.85 1.09 -0.04 -2.04 0.00 0.00 177.10 174.60 3kx6 s MET 231 N -3.50 1.47 -0.42 3.55 -1.94 -1.26 -4.95 119.30 112.25 3kx6 s MET 231 Ca 0.78 0.78 -0.20 0.00 -1.71 0.00 0.00 55.69 55.34 3kx6 s MET 231 Cb -0.32 -1.84 0.02 0.00 2.01 0.00 0.00 34.83 34.71 3kx6 s MET 231 CO 0.38 -2.08 0.61 0.08 -0.01 0.00 0.00 175.02 174.00 3kx6 s VAL 232 N -2.99 4.87 0.10 -6.03 1.01 -1.26 -5.03 120.40 111.08 3kx6 s VAL 232 Ca 0.63 0.13 0.01 0.00 0.00 0.00 0.00 61.98 62.74 3kx6 s VAL 232 Cb -0.17 -4.16 -0.04 0.00 0.00 0.00 0.00 36.38 32.01 3kx6 s VAL 232 CO 0.56 -0.52 -0.03 0.42 0.00 0.00 0.00 175.10 175.53 3kx6 s THR 233 N 2.71 0.50 0.92 3.92 -4.23 -1.26 -4.60 115.64 113.60 3kx6 s THR 233 Ca 0.21 -1.91 -0.11 0.00 -1.18 0.00 0.00 61.69 58.70 3kx6 s THR 233 Cb -0.15 -1.75 0.15 0.00 1.34 0.00 0.00 72.50 72.10 3kx6 s THR 233 CO 0.18 -0.80 1.09 0.00 -0.54 0.00 0.00 174.62 174.54 3kx6 s GLN 234 N -3.89 1.01 0.91 3.99 0.00 -1.26 -4.45 119.66 115.96 3kx6 s GLN 234 Ca 0.14 0.92 -0.11 0.00 -0.00 0.00 0.00 55.36 56.31 3kx6 s GLN 234 Cb 0.06 -1.77 0.14 0.00 0.00 0.00 0.00 33.01 31.44 3kx6 s GLN 234 CO -0.04 -2.44 1.11 0.20 0.00 0.00 0.00 175.29 174.12 3kx6 s GLY 235 N -3.23 1.65 0.28 2.60 0.00 0.41 -4.88 107.32 104.14 3kx6 s GLY 235 Ca 0.64 0.29 -0.02 0.00 0.00 0.00 0.00 44.72 45.63 3kx6 s GLY 235 CO 0.58 0.74 1.86 -2.08 0.00 0.00 0.00 173.10 174.20 3kx6 h VAL 236 N -1.72 1.22 -0.14 1.40 2.07 -0.20 -2.46 116.25 116.42 3kx6 h VAL 236 Ca -0.47 -0.71 0.00 0.00 0.82 0.00 0.00 66.70 66.35 3kx6 h VAL 236 Cb 1.27 0.48 0.00 0.00 -1.52 0.00 0.00 31.29 31.52 3kx6 h VAL 236 CO 0.48 0.28 0.00 0.47 0.02 0.00 0.00 177.57 178.82 3kx6 n ASP 237 N -4.31 2.37 -4.74 0.57 8.00 -0.16 -4.93 116.55 113.35 3kx6 n ASP 237 Ca 0.05 -1.79 -0.41 0.00 0.71 0.00 0.00 54.79 53.35 3kx6 n ASP 237 Cb 0.17 -0.08 -0.03 0.00 -0.02 0.00 0.00 41.12 41.16 3kx6 n ASP 237 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3kx6 n LYS 239 N 2.66 0.28 -1.62 0.00 5.02 -1.26 -4.74 118.16 118.51 3kx6 n LYS 239 Ca 0.07 0.15 -0.36 0.00 -2.02 0.00 0.00 58.31 56.14 3kx6 n LYS 239 Cb 0.42 -1.75 0.08 0.00 -0.02 0.00 0.00 35.03 33.76 3kx6 n LYS 239 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 3kx6 n ASP 240 N -2.20 1.77 -3.48 4.39 8.00 -1.26 -4.97 116.55 118.79 3kx6 n ASP 240 Ca 0.04 0.79 -0.28 0.00 0.71 0.00 0.00 54.79 56.05 3kx6 n ASP 240 Cb 0.44 -1.53 -0.11 0.00 -0.02 0.00 0.00 41.12 39.89 3kx6 n ASP 240 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 3kx6 s LYS 241 N -3.43 0.92 0.85 -1.24 3.01 -1.26 -5.02 119.74 113.56 3kx6 s LYS 241 Ca 0.81 -1.91 -0.10 0.00 -1.01 0.00 0.00 55.97 53.75 3kx6 s LYS 241 Cb -0.37 -1.60 0.10 0.00 -1.01 0.00 0.00 37.83 34.96 3kx6 s LYS 241 CO 0.42 -1.30 1.12 -1.25 0.51 0.00 0.00 175.35 174.86 3kx6 s PRO 242 N 0.34 1.60 0.61 -1.68 0.04 -1.26 -4.99 135.00 129.66 3kx6 s PRO 242 Ca 0.26 1.37 -0.19 0.00 0.04 0.00 0.00 61.00 62.48 3kx6 s PRO 242 Cb -0.09 -1.81 -0.03 0.00 0.04 0.00 0.00 34.50 32.62 3kx6 s PRO 242 CO -0.10 -2.17 1.24 0.00 0.04 0.00 0.00 177.00 176.00 3kx6 s ALA 243 N -2.77 2.50 0.51 8.56 0.00 -1.26 -4.90 121.76 124.40 3kx6 s ALA 243 Ca 0.64 1.08 0.22 0.00 0.00 0.00 0.00 51.96 53.89 3kx6 s ALA 243 Cb -0.20 -3.48 1.31 0.00 0.00 0.00 0.00 23.12 20.74 3kx6 s ALA 243 CO 0.57 -1.29 2.02 -1.35 0.00 0.00 0.00 175.76 175.71 3kx6 h PRO 244 N 0.80 0.08 -0.36 0.00 0.11 -1.99 -1.00 132.00 129.64 3kx6 h PRO 244 Ca -0.51 -0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.58 3kx6 h PRO 244 Cb 1.31 -0.02 -0.02 0.00 0.11 0.00 0.00 31.00 32.38 3kx6 h PRO 244 CO 0.55 0.05 0.14 1.96 -0.21 0.00 0.00 178.00 180.49 3kx6 h GLN 245 N 0.08 0.51 -0.10 1.05 7.50 -1.95 -1.69 115.11 120.51 3kx6 h GLN 245 Ca 0.22 -0.06 -0.16 0.00 0.50 0.00 0.00 58.65 59.14 3kx6 h GLN 245 Cb 0.77 -0.10 0.01 0.00 0.05 0.00 0.00 27.48 28.21 3kx6 h GLN 245 CO -0.02 0.43 -0.58 1.15 -1.50 0.00 0.00 178.83 178.31 3kx6 h THR 246 N 0.51 1.35 -0.50 -0.54 2.02 -1.55 0.08 112.91 114.28 3kx6 h THR 246 Ca 0.13 -1.89 0.06 0.00 0.77 0.00 0.00 66.41 65.48 3kx6 h THR 246 Cb 0.11 2.20 -0.05 0.00 -1.74 0.00 0.00 68.15 68.67 3kx6 h THR 246 CO -0.01 0.57 0.21 0.58 0.37 0.00 0.00 175.52 177.24 3kx6 h VAL 247 N 0.18 0.88 -0.10 3.16 2.07 -1.38 0.74 116.25 121.81 3kx6 h VAL 247 Ca -0.04 -0.14 0.03 0.00 0.82 0.00 0.00 66.70 67.36 3kx6 h VAL 247 Cb 1.23 0.43 -0.03 0.00 -1.52 0.00 0.00 31.29 31.40 3kx6 h VAL 247 CO 0.12 0.08 -0.07 1.23 0.02 0.00 0.00 177.57 178.94 3kx6 h GLY 248 N 0.42 0.01 0.86 2.17 0.00 -1.20 -1.17 103.07 104.15 3kx6 h GLY 248 Ca 0.23 0.09 -0.03 0.00 0.00 0.00 0.00 47.33 47.63 3kx6 h GLY 248 CO -0.21 -0.09 0.04 -2.75 0.00 0.00 0.00 176.54 173.54 3kx6 h PHE 249 N -0.08 0.40 -0.06 5.60 3.57 -0.55 -1.78 116.94 124.04 3kx6 h PHE 249 Ca 0.06 -0.05 -0.16 0.00 3.53 0.00 0.00 57.97 61.36 3kx6 h PHE 249 Cb 0.17 -0.11 -0.01 0.00 2.79 0.00 0.00 35.95 38.79 3kx6 h PHE 249 CO -0.19 0.50 -0.65 -0.07 -2.23 0.00 0.00 178.31 175.67 3kx6 h LEU 250 N 0.18 0.29 -0.12 0.59 3.38 -0.84 -0.64 115.31 118.16 3kx6 h LEU 250 Ca 0.07 -0.17 -0.01 0.00 0.09 0.00 0.00 57.88 57.85 3kx6 h LEU 250 Cb 0.31 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 40.97 3kx6 h LEU 250 CO 0.00 0.86 0.03 0.74 0.09 0.00 0.00 178.44 180.16 3kx6 h THR 251 N 0.18 1.19 -0.49 0.22 2.02 -1.16 -1.86 112.91 113.01 3kx6 h THR 251 Ca -0.01 -0.60 0.03 0.00 0.77 0.00 0.00 66.41 66.60 3kx6 h THR 251 Cb 1.18 1.37 -0.04 0.00 -1.74 0.00 0.00 68.15 68.92 3kx6 h THR 251 CO 0.10 0.17 0.27 -1.28 0.37 0.00 0.00 175.52 175.15 3kx6 h SER 252 N -0.01 0.41 -0.36 4.18 0.87 -1.23 -1.90 113.55 115.51 3kx6 h SER 252 Ca 0.04 0.02 0.01 0.00 -1.23 0.00 0.00 61.79 60.63 3kx6 h SER 252 Cb 0.25 -0.06 -0.02 0.00 -0.44 0.00 0.00 62.40 62.12 3kx6 h SER 252 CO 0.00 0.28 0.21 -0.09 -0.53 0.00 0.00 176.83 176.71 3kx6 h ARG 253 N 0.53 0.42 -0.67 2.24 2.43 -1.07 0.76 114.38 119.01 3kx6 h ARG 253 Ca 0.21 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.34 3kx6 h ARG 253 Cb 0.08 -0.09 -0.03 0.00 -0.42 0.00 0.00 29.97 29.50 3kx6 h ARG 253 CO -0.12 0.28 0.37 0.00 -1.51 0.00 0.00 179.97 178.98 3kx6 h ALA 254 N 1.16 0.86 -0.20 2.80 0.00 -1.04 -0.98 119.26 121.86 3kx6 h ALA 254 Ca 0.14 -0.11 -0.07 0.00 0.00 0.00 0.00 54.91 54.87 3kx6 h ALA 254 Cb -0.00 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.52 3kx6 h ALA 254 CO -0.06 0.38 -0.16 -0.07 0.00 0.00 0.00 179.25 179.34 3kx6 h LEU 255 N 0.92 0.48 -1.88 0.00 3.38 -1.12 -3.01 115.31 114.08 3kx6 h LEU 255 Ca 0.24 -0.46 -0.03 0.00 0.09 0.00 0.00 57.88 57.72 3kx6 h LEU 255 Cb 0.05 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 40.66 3kx6 h LEU 255 CO -0.04 0.84 -0.13 0.03 0.09 0.00 0.00 178.44 179.23 3kx6 h ARG 256 N 0.13 0.00 0.00 1.13 3.08 -0.65 0.08 114.38 118.15 3kx6 h ARG 256 Ca 0.04 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.09 3kx6 h ARG 256 Cb 0.69 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.74 3kx6 h ARG 256 CO 0.04 0.13 -0.09 0.54 -1.07 0.00 0.00 179.97 179.52 3kx6 n ARG 257 N -3.74 0.05 0.00 0.04 1.74 -0.39 -4.56 116.66 109.81 3kx6 n ARG 257 Ca -0.02 0.04 0.00 0.00 -0.77 0.00 0.00 57.85 57.10 3kx6 n ARG 257 Cb 0.24 -1.55 0.00 0.00 -1.02 0.00 0.00 32.46 30.13 3kx6 n ARG 257 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 3kx6 n THR 258 N -1.64 0.00 -3.56 0.55 -2.24 -0.77 -5.03 114.28 101.60 3kx6 n THR 258 Ca 0.06 0.00 -0.40 0.00 -2.27 0.00 0.00 64.05 61.44 3kx6 n THR 258 Cb 0.36 -0.02 -0.11 0.00 -2.10 0.00 0.00 70.33 68.46 3kx6 n THR 258 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3kx6 s VAL 259 N -0.64 5.09 0.52 2.28 1.01 -0.05 -4.81 120.40 123.79 3kx6 s VAL 259 Ca 0.00 -0.32 -0.22 0.00 0.00 0.00 0.00 61.98 61.44 3kx6 s VAL 259 Cb 0.00 -3.63 -0.06 0.00 0.00 0.00 0.00 36.38 32.69 3kx6 s VAL 259 CO 0.00 -0.02 1.29 -2.84 0.00 0.00 0.00 175.10 173.54 3kx6 s PRO 260 N 1.69 3.34 0.17 2.72 0.02 -1.26 -4.87 135.00 136.82 3kx6 s PRO 260 Ca 0.05 2.08 0.18 0.00 0.02 0.00 0.00 61.00 63.33 3kx6 s PRO 260 Cb -0.17 -2.31 0.80 0.00 0.02 0.00 0.00 34.50 32.84 3kx6 s PRO 260 CO 0.09 -0.98 1.54 -0.35 -0.33 0.00 0.00 177.00 176.98 3kx6 n PRO 261 N -0.85 0.11 0.26 5.54 -0.04 -1.26 -2.52 135.00 136.24 3kx6 n PRO 261 Ca 0.09 0.43 0.11 0.00 -0.04 0.00 0.00 63.50 64.10 3kx6 n PRO 261 Cb 0.46 -1.75 0.72 0.00 -0.04 0.00 0.00 33.50 32.89 3kx6 n PRO 261 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3kx6 h ALA 262 N 2.23 1.47 -2.49 0.55 0.00 -1.92 -3.42 119.26 115.69 3kx6 h ALA 262 Ca 0.00 -0.09 -0.53 0.00 0.00 0.00 0.00 54.91 54.29 3kx6 h ALA 262 Cb 0.21 -0.02 0.03 0.00 0.00 0.00 0.00 17.79 18.01 3kx6 h ALA 262 CO 0.00 0.12 0.95 -1.17 0.00 0.00 0.00 179.25 179.15 3kx6 s LEU 263 N -7.77 4.36 0.31 0.00 2.96 -1.05 -3.63 118.68 113.86 3kx6 s LEU 263 Ca -0.04 2.49 0.19 0.00 -0.22 0.00 0.00 54.13 56.55 3kx6 s LEU 263 Cb 0.14 -3.57 0.14 0.00 0.50 0.00 0.00 46.19 43.40 3kx6 s LEU 263 CO 0.60 -0.85 1.41 1.55 -1.32 0.00 0.00 176.35 177.74 3kx6 h PRO 264 N 7.87 0.00 -2.24 0.98 0.13 -1.73 -3.41 132.00 133.59 3kx6 h PRO 264 Ca -0.42 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.64 3kx6 h PRO 264 Cb 1.20 0.00 -0.21 0.00 0.13 0.00 0.00 31.00 32.12 3kx6 h PRO 264 CO 0.92 0.24 0.04 0.20 -0.23 0.00 0.00 178.00 179.17 3kx6 s GLY 265 N -4.39 -0.47 -0.25 1.56 0.00 -1.26 -1.35 107.32 101.16 3kx6 s GLY 265 Ca 0.04 1.52 -0.01 0.00 0.00 0.00 0.00 44.72 46.26 3kx6 s GLY 265 CO 0.73 1.25 -0.07 0.14 0.00 0.00 0.00 173.10 175.15 3kx6 s VAL 266 N -0.21 2.85 -0.39 1.40 1.01 0.56 -2.32 120.40 123.28 3kx6 s VAL 266 Ca -0.04 -1.03 -0.02 0.00 0.00 0.00 0.00 61.98 60.89 3kx6 s VAL 266 Cb -0.03 -2.44 0.11 0.00 0.00 0.00 0.00 36.38 34.01 3kx6 s VAL 266 CO 0.04 0.21 0.17 -0.04 0.00 0.00 0.00 175.10 175.48 3kx6 s MET 267 N 1.32 1.93 0.42 2.72 -1.94 0.77 -0.85 119.30 123.67 3kx6 s MET 267 Ca 0.00 -1.81 -0.25 0.00 -1.71 0.00 0.00 55.69 51.92 3kx6 s MET 267 Cb -0.17 -3.51 -0.08 0.00 2.01 0.00 0.00 34.83 33.08 3kx6 s MET 267 CO -0.05 -1.04 1.26 -0.06 -0.01 0.00 0.00 175.02 175.13 3kx6 s PHE 268 N 1.11 2.85 0.45 -0.03 0.08 -0.43 -4.09 117.98 117.92 3kx6 s PHE 268 Ca 0.08 1.45 -0.16 0.00 0.12 0.00 0.00 56.93 58.43 3kx6 s PHE 268 Cb -0.22 -3.59 -0.08 0.00 -0.57 0.00 0.00 43.02 38.56 3kx6 s PHE 268 CO -0.05 -1.90 0.89 -0.48 -0.10 0.00 0.00 175.22 173.58 3kx6 s LEU 269 N -2.56 3.79 -0.01 -0.37 0.05 -1.03 -0.74 118.68 117.82 3kx6 s LEU 269 Ca 0.58 1.45 0.14 0.00 0.05 0.00 0.00 54.13 56.35 3kx6 s LEU 269 Cb -0.36 -4.33 -0.19 0.00 -2.05 0.00 0.00 46.19 39.26 3kx6 s LEU 269 CO 0.45 -0.45 0.47 -1.54 -0.55 0.00 0.00 176.35 174.74 3kx6 n SER 270 N -1.16 1.13 0.00 1.48 3.41 -1.26 -4.34 113.62 112.87 3kx6 n SER 270 Ca 0.05 -0.44 0.00 0.00 -0.26 0.00 0.00 58.87 58.22 3kx6 n SER 270 Cb 0.54 1.32 0.00 0.00 -0.26 0.00 0.00 64.21 65.80 3kx6 n SER 270 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3kx6 n GLY 271 N 1.49 2.74 0.42 5.00 0.00 -1.26 -2.09 105.19 111.48 3kx6 n GLY 271 Ca 0.00 -0.36 0.07 0.00 0.00 0.00 0.00 46.02 45.73 3kx6 n GLY 271 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kx6 n GLY 272 N 0.00 0.03 3.75 -0.02 0.00 -1.26 -4.94 105.19 102.75 3kx6 n GLY 272 Ca 0.00 -0.29 -0.35 0.00 0.00 0.00 0.00 46.02 45.37 3kx6 n GLY 272 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3kx6 s GLN 273 N -1.75 2.79 0.82 1.61 -0.21 -0.89 -5.00 119.66 117.03 3kx6 s GLN 273 Ca 0.23 1.80 -0.11 0.00 0.02 0.00 0.00 55.36 57.30 3kx6 s GLN 273 Cb 0.12 -1.91 0.09 0.00 1.00 0.00 0.00 33.01 32.31 3kx6 s GLN 273 CO 0.17 -1.34 1.10 -1.54 -2.12 0.00 0.00 175.29 171.56 3kx6 s SER 274 N -1.73 3.98 0.23 5.90 1.04 -1.26 -4.76 113.70 117.10 3kx6 s SER 274 Ca 0.76 1.87 -0.07 0.00 0.48 0.00 0.00 55.95 58.99 3kx6 s SER 274 Cb -0.30 -2.49 0.39 0.00 0.10 0.00 0.00 66.02 63.72 3kx6 s SER 274 CO 0.36 -2.38 1.69 -0.33 0.98 0.00 0.00 173.24 173.56 3kx6 h GLU 275 N -1.37 0.24 -0.11 4.02 5.08 -1.90 0.12 114.58 120.67 3kx6 h GLU 275 Ca -0.44 -0.01 -0.16 0.00 -1.00 0.00 0.00 59.36 57.74 3kx6 h GLU 275 Cb 1.25 -0.05 0.01 0.00 0.50 0.00 0.00 28.75 30.45 3kx6 h GLU 275 CO 0.49 0.16 -0.57 0.66 -1.00 0.00 0.00 179.01 178.75 3kx6 h SER 276 N 0.25 0.68 -0.50 1.42 4.64 -1.92 -3.03 113.55 115.10 3kx6 h SER 276 Ca 0.38 -0.65 -0.06 0.00 -0.47 0.00 0.00 61.79 60.99 3kx6 h SER 276 Cb 0.62 -0.20 -0.02 0.00 -0.31 0.00 0.00 62.40 62.48 3kx6 h SER 276 CO -0.49 1.22 0.08 0.24 -0.87 0.00 0.00 176.83 177.02 3kx6 h MET 277 N 0.20 0.88 -0.88 4.77 2.86 -1.84 0.86 114.93 121.77 3kx6 h MET 277 Ca -0.04 -0.21 0.02 0.00 -2.06 0.00 0.00 59.70 57.41 3kx6 h MET 277 Cb 1.21 -0.12 -0.05 0.00 0.06 0.00 0.00 31.60 32.71 3kx6 h MET 277 CO 0.12 0.82 0.58 0.00 1.06 0.00 0.00 176.91 179.49 3kx6 h ALA 278 N 1.26 1.40 -0.04 6.32 0.00 -0.79 0.38 119.26 127.78 3kx6 h ALA 278 Ca 0.17 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.97 3kx6 h ALA 278 Cb 0.38 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 17.83 3kx6 h ALA 278 CO 0.01 0.54 -0.19 1.15 0.00 0.00 0.00 179.25 180.76 3kx6 h THR 279 N 1.16 1.47 -0.58 0.00 2.02 -1.31 -2.59 112.91 113.08 3kx6 h THR 279 Ca 0.34 -1.66 -0.02 0.00 0.77 0.00 0.00 66.41 65.84 3kx6 h THR 279 Cb -0.07 2.45 -0.03 0.00 -1.74 0.00 0.00 68.15 68.76 3kx6 h THR 279 CO -0.09 0.46 0.30 -0.09 0.37 0.00 0.00 175.52 176.47 3kx6 h ARG 280 N -0.37 0.82 -0.20 6.66 2.43 -0.59 -1.48 114.38 121.65 3kx6 h ARG 280 Ca -0.01 -0.11 -0.01 0.00 -0.81 0.00 0.00 59.98 59.04 3kx6 h ARG 280 Cb 0.85 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 30.23 3kx6 h ARG 280 CO 0.04 0.65 0.08 0.45 -1.51 0.00 0.00 179.97 179.68 3kx6 h HIS 281 N 0.78 0.31 -0.67 2.20 3.86 -1.00 -1.55 115.15 119.09 3kx6 h HIS 281 Ca 0.20 -0.02 0.12 0.00 -1.16 0.00 0.00 60.37 59.51 3kx6 h HIS 281 Cb 0.08 -0.09 -0.09 0.00 1.06 0.00 0.00 27.41 28.37 3kx6 h HIS 281 CO -0.01 0.35 0.23 1.25 0.86 0.00 0.00 177.93 180.61 3kx6 h LEU 282 N 0.17 0.17 -0.56 2.43 5.85 -1.21 -0.27 115.31 121.90 3kx6 h LEU 282 Ca 0.07 0.10 -0.01 0.00 0.84 0.00 0.00 57.88 58.88 3kx6 h LEU 282 Cb 0.17 0.10 -0.03 0.00 0.37 0.00 0.00 40.66 41.28 3kx6 h LEU 282 CO -0.01 0.08 0.32 -1.13 -0.34 0.00 0.00 178.44 177.37 3kx6 h ASN 283 N 0.38 0.69 -0.37 1.25 -1.24 -0.89 -1.78 115.58 113.61 3kx6 h ASN 283 Ca 0.36 -0.08 -0.11 0.00 0.71 0.00 0.00 56.30 57.17 3kx6 h ASN 283 Cb 0.51 -0.18 -0.02 0.00 0.73 0.00 0.00 38.32 39.37 3kx6 h ASN 283 CO -0.38 0.57 -0.18 -0.33 -1.29 0.00 0.00 177.43 175.82 3kx6 h GLU 284 N 0.76 0.85 -0.49 6.67 4.39 -0.43 -1.54 114.58 124.79 3kx6 h GLU 284 Ca 0.20 -0.33 0.02 0.00 0.34 0.00 0.00 59.36 59.59 3kx6 h GLU 284 Cb 0.02 -0.05 -0.03 0.00 -0.10 0.00 0.00 28.75 28.59 3kx6 h GLU 284 CO -0.03 0.97 0.29 0.82 -1.16 0.00 0.00 179.01 179.89 3kx6 h ILE 285 N 0.75 1.04 -0.29 3.13 2.04 -0.79 -2.87 117.51 120.52 3kx6 h ILE 285 Ca 0.11 -0.20 -0.12 0.00 1.00 0.00 0.00 64.86 65.66 3kx6 h ILE 285 Cb 0.71 0.42 -0.01 0.00 -0.74 0.00 0.00 36.82 37.20 3kx6 h ILE 285 CO 0.05 0.10 -0.31 0.78 0.00 0.00 0.00 178.15 178.78 3kx6 h ASN 286 N 0.57 0.62 0.66 1.72 2.35 -0.98 -3.28 115.58 117.23 3kx6 h ASN 286 Ca 0.20 -0.24 -0.09 0.00 -0.55 0.00 0.00 56.30 55.61 3kx6 h ASN 286 Cb 0.03 -0.17 -0.01 0.00 0.05 0.00 0.00 38.32 38.22 3kx6 h ASN 286 CO -0.10 0.90 -0.45 0.11 -1.65 0.00 0.00 177.43 176.24 3kx6 h LYS 287 N 0.52 0.00 -0.00 0.81 1.57 -1.08 -3.29 116.57 115.10 3kx6 h LYS 287 Ca 0.06 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.84 3kx6 h LYS 287 Cb 0.79 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.10 3kx6 h LYS 287 CO 0.06 0.45 -0.04 0.00 -0.57 0.00 0.00 179.45 179.35 3kx6 s ASN 289 N -2.75 -0.22 0.43 0.00 3.84 -1.24 -5.06 114.94 109.94 3kx6 s ASN 289 Ca 0.22 -0.27 -0.21 0.00 0.21 0.00 0.00 52.86 52.81 3kx6 s ASN 289 Cb 0.20 0.43 -0.10 0.00 -0.55 0.00 0.00 41.25 41.22 3kx6 s ASN 289 CO 0.50 -0.77 0.98 -1.59 -2.79 0.00 0.00 177.10 173.43 3kx6 s LYS 290 N -3.16 4.15 -0.00 0.43 -2.85 -1.26 -4.91 119.74 112.13 3kx6 s LYS 290 Ca 0.10 1.21 -0.05 0.00 -1.00 0.00 0.00 55.97 56.23 3kx6 s LYS 290 Cb -0.01 -2.22 -0.00 0.00 -2.06 0.00 0.00 37.83 33.54 3kx6 s LYS 290 CO -0.01 -0.11 0.10 -1.01 0.10 0.00 0.00 175.35 174.42 3kx6 s HIS 291 N -2.06 0.05 -1.70 1.78 3.76 -1.26 -5.06 115.29 110.79 3kx6 s HIS 291 Ca 0.62 -0.11 0.27 0.00 -0.15 0.00 0.00 55.06 55.69 3kx6 s HIS 291 Cb -0.12 -0.06 0.89 0.00 1.11 0.00 0.00 32.58 34.40 3kx6 s HIS 291 CO 0.16 -0.22 1.65 -0.35 -0.85 0.00 0.00 174.74 175.13 3kx6 n PRO 292 N 1.83 0.76 -4.36 8.40 -0.04 -1.26 -4.83 135.00 135.50 3kx6 n PRO 292 Ca -0.21 -0.40 -0.24 0.00 -0.04 0.00 0.00 63.50 62.62 3kx6 n PRO 292 Cb 0.56 -1.49 -0.12 0.00 -0.04 0.00 0.00 33.50 32.42 3kx6 n PRO 292 CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 3kx6 s TRP 293 N -2.51 1.97 0.44 0.54 0.51 -1.26 -4.94 118.94 113.68 3kx6 s TRP 293 Ca 0.25 -0.43 -0.26 0.00 -2.12 0.00 0.00 56.10 53.54 3kx6 s TRP 293 Cb 0.19 -0.99 -0.09 0.00 -0.81 0.00 0.00 33.47 31.78 3kx6 s TRP 293 CO 0.51 0.37 1.44 0.43 -0.51 0.00 0.00 176.95 179.19 3kx6 n SER 294 N 0.37 3.38 -4.06 2.95 7.64 -0.46 -4.83 113.62 118.61 3kx6 n SER 294 Ca -0.14 1.14 -0.33 0.00 1.01 0.00 0.00 58.87 60.55 3kx6 n SER 294 Cb 0.56 -1.60 -0.13 0.00 -1.01 0.00 0.00 64.21 62.02 3kx6 n SER 294 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3kx6 s LEU 295 N -2.53 4.98 0.00 -3.43 1.43 -1.26 -0.32 118.68 117.55 3kx6 s LEU 295 Ca 0.60 -2.10 0.00 0.00 -1.03 0.00 0.00 54.13 51.60 3kx6 s LEU 295 Cb -0.46 -1.72 0.00 0.00 0.03 0.00 0.00 46.19 44.05 3kx6 s LEU 295 CO 0.59 -0.45 0.00 -0.24 0.23 0.00 0.00 176.35 176.47 3kx6 n SER 296 N 4.40 0.17 -4.14 2.29 2.88 -0.03 -4.53 113.62 114.67 3kx6 n SER 296 Ca 0.01 0.00 -0.21 0.00 -1.33 0.00 0.00 58.87 57.35 3kx6 n SER 296 Cb 0.42 0.00 -0.14 0.00 -0.75 0.00 0.00 64.21 63.74 3kx6 n SER 296 CO 0.00 0.00 0.00 0.72 -1.23 0.00 0.00 175.04 174.53 3kx6 s PHE 297 N 0.63 1.25 -0.51 0.66 -0.12 -1.26 -1.31 117.98 117.31 3kx6 s PHE 297 Ca 0.00 -0.33 0.03 0.00 -0.05 0.00 0.00 56.93 56.58 3kx6 s PHE 297 Cb 0.00 -0.75 0.15 0.00 -0.63 0.00 0.00 43.02 41.79 3kx6 s PHE 297 CO 0.00 0.03 0.33 0.45 -0.05 0.00 0.00 175.22 175.98 3kx6 s SER 298 N -1.01 3.52 -0.08 1.98 0.15 0.08 -0.32 113.70 118.02 3kx6 s SER 298 Ca 0.02 -3.09 -0.00 0.00 0.70 0.00 0.00 55.95 53.59 3kx6 s SER 298 Cb -0.07 -1.10 -0.03 0.00 -1.71 0.00 0.00 66.02 63.11 3kx6 s SER 298 CO 0.01 -0.19 -0.05 -0.31 1.20 0.00 0.00 173.24 173.90 3kx6 s TYR 299 N -0.25 3.00 0.00 3.44 2.02 -0.85 -4.36 117.35 120.35 3kx6 s TYR 299 Ca 0.23 0.04 0.00 0.00 -0.37 0.00 0.00 57.07 56.97 3kx6 s TYR 299 Cb -0.13 -1.75 0.00 0.00 -0.40 0.00 0.00 41.96 39.69 3kx6 s TYR 299 CO -0.09 0.34 0.00 0.41 -1.57 0.00 0.00 175.55 174.64 3kx6 n GLY 300 N 2.29 -0.09 0.31 0.71 0.00 -1.26 -0.67 105.19 106.48 3kx6 n GLY 300 Ca -0.18 0.00 0.14 0.00 0.00 0.00 0.00 46.02 45.98 3kx6 n GLY 300 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3kx6 h ARG 301 N 0.00 0.25 0.00 1.61 3.08 -1.94 -1.16 114.38 116.22 3kx6 h ARG 301 Ca 0.00 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.03 3kx6 h ARG 301 Cb 0.00 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 29.99 3kx6 h ARG 301 CO 0.00 0.17 0.00 0.00 -1.07 0.00 0.00 179.97 179.07 3kx6 h ALA 302 N 1.77 1.00 0.00 0.04 0.00 -1.87 -1.26 119.26 118.94 3kx6 h ALA 302 Ca 0.57 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.48 3kx6 h ALA 302 Cb 1.14 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.93 3kx6 h ALA 302 CO -0.62 0.00 -1.06 1.28 0.00 0.00 0.00 179.25 178.85 3kx6 n LEU 303 N -2.57 0.62 0.00 0.00 4.77 -0.63 -4.68 117.00 114.52 3kx6 n LEU 303 Ca 0.02 -0.38 0.00 0.00 -0.03 0.00 0.00 56.01 55.62 3kx6 n LEU 303 Cb 0.28 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.37 3kx6 n LEU 303 CO 0.24 0.16 -0.41 0.00 -1.33 0.00 0.00 177.39 176.04 3kx6 n GLN 304 N -1.58 1.64 -0.11 3.23 6.02 -0.54 -4.67 117.38 121.37 3kx6 n GLN 304 Ca 0.02 0.00 -0.05 0.00 -0.01 0.00 0.00 57.00 56.95 3kx6 n GLN 304 Cb 0.32 -0.91 0.01 0.00 1.02 0.00 0.00 30.24 30.68 3kx6 n GLN 304 CO 0.00 0.00 0.00 0.77 -1.01 0.00 0.00 177.06 176.82 3kx6 h SER 305 N 0.00 -0.40 0.50 1.08 0.02 -1.49 0.63 113.55 113.88 3kx6 h SER 305 Ca 0.00 0.12 -0.08 0.00 -0.84 0.00 0.00 61.79 60.99 3kx6 h SER 305 Cb 0.22 0.25 -0.01 0.00 0.14 0.00 0.00 62.40 63.00 3kx6 h SER 305 CO 0.00 -0.14 -0.38 0.28 -1.14 0.00 0.00 176.83 175.45 3kx6 h SER 306 N -0.03 0.00 -0.22 3.07 0.02 -1.88 -2.18 113.55 112.33 3kx6 h SER 306 Ca 0.18 0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 61.08 3kx6 h SER 306 Cb 0.30 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.84 3kx6 h SER 306 CO -0.40 0.38 -0.08 0.58 -1.14 0.00 0.00 176.83 176.17 3kx6 h VAL 307 N 0.00 1.30 -0.25 2.27 2.07 -1.45 -2.17 116.25 118.01 3kx6 h VAL 307 Ca -0.00 -1.12 -0.01 0.00 0.82 0.00 0.00 66.70 66.38 3kx6 h VAL 307 Cb 0.73 1.58 -0.01 0.00 -1.52 0.00 0.00 31.29 32.07 3kx6 h VAL 307 CO 0.05 0.34 0.11 0.25 0.02 0.00 0.00 177.57 178.34 3kx6 h LEU 308 N 0.16 0.34 -1.38 2.57 7.12 -0.88 -1.28 115.31 121.96 3kx6 h LEU 308 Ca 0.05 -0.15 -0.02 0.00 0.13 0.00 0.00 57.88 57.89 3kx6 h LEU 308 Cb 0.56 -0.09 -0.02 0.00 -0.53 0.00 0.00 40.66 40.58 3kx6 h LEU 308 CO 0.03 0.40 0.19 0.11 -0.13 0.00 0.00 178.44 179.03 3kx6 h LYS 309 N 0.27 0.61 -0.11 1.25 1.79 -1.40 -0.96 116.57 118.02 3kx6 h LYS 309 Ca 0.09 -0.07 -0.23 0.00 -2.18 0.00 0.00 60.65 58.25 3kx6 h LYS 309 Cb 0.15 -0.12 0.01 0.00 -1.58 0.00 0.00 32.23 30.70 3kx6 h LYS 309 CO -0.01 0.49 -0.82 1.15 -1.08 0.00 0.00 179.45 179.18 3kx6 h THR 310 N 0.61 1.28 0.05 -0.16 2.02 -1.16 -3.26 112.91 112.29 3kx6 h THR 310 Ca 0.15 -2.03 -0.00 0.00 0.77 0.00 0.00 66.41 65.30 3kx6 h THR 310 Cb 0.10 2.11 0.00 0.00 -1.74 0.00 0.00 68.15 68.62 3kx6 h THR 310 CO -0.02 0.64 -0.03 -0.25 0.37 0.00 0.00 175.52 176.23 3kx6 h TRP 311 N 0.47 -0.07 -1.43 3.16 7.01 -1.00 -3.44 115.95 120.65 3kx6 h TRP 311 Ca -0.07 -0.00 -0.37 0.00 2.11 0.00 0.00 58.89 60.55 3kx6 h TRP 311 Cb 1.46 0.02 -0.13 0.00 -2.10 0.00 0.00 29.16 28.41 3kx6 h TRP 311 CO 0.09 0.01 -0.36 -1.71 -2.79 0.00 0.00 178.44 173.69 3kx6 n ASN 312 N -5.09 -4.88 0.00 2.65 5.15 -0.38 -1.88 115.26 110.82 3kx6 n ASN 312 Ca -0.08 0.39 0.00 0.00 -0.60 0.00 0.00 54.58 54.30 3kx6 n ASN 312 Cb 0.08 -4.33 0.00 0.00 -0.53 0.00 0.00 39.78 35.00 3kx6 n ASN 312 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3kx6 n GLY 313 N -0.43 0.61 2.88 8.20 0.00 -1.26 -4.95 105.19 110.24 3kx6 n GLY 313 Ca -0.19 -0.49 -0.21 0.00 0.00 0.00 0.00 46.02 45.13 3kx6 n GLY 313 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3kx6 s SER 314 N -2.45 1.19 0.62 1.61 0.15 -0.79 -5.02 113.70 109.02 3kx6 s SER 314 Ca 0.00 -0.14 0.36 0.00 0.70 0.00 0.00 55.95 56.86 3kx6 s SER 314 Cb 0.00 -0.50 2.04 0.00 -1.71 0.00 0.00 66.02 65.85 3kx6 s SER 314 CO 0.00 -0.08 2.27 0.24 1.20 0.00 0.00 173.24 176.87 3kx6 h MET 315 N 7.43 0.00 0.00 5.44 2.86 -1.97 0.06 114.93 128.75 3kx6 h MET 315 Ca -0.34 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.30 3kx6 h MET 315 Cb 1.15 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.81 3kx6 h MET 315 CO 0.43 0.00 -0.03 0.66 1.06 0.00 0.00 176.91 179.03 3kx6 h SER 316 N 0.00 0.00 -0.13 1.22 4.64 -1.95 -2.04 113.55 115.29 3kx6 h SER 316 Ca 0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 3kx6 h SER 316 Cb 0.09 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.18 3kx6 h SER 316 CO -0.00 0.03 0.00 0.59 -0.87 0.00 0.00 176.83 176.58 3kx6 n ASN 317 N -3.29 2.41 -0.15 4.97 3.02 0.01 -4.58 115.26 117.65 3kx6 n ASN 317 Ca -0.02 -1.80 -0.04 0.00 -0.03 0.00 0.00 54.58 52.69 3kx6 n ASN 317 Cb 0.17 -0.08 0.03 0.00 -0.61 0.00 0.00 39.78 39.29 3kx6 n ASN 317 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3kx6 h ALA 318 N 4.43 0.27 -0.34 5.41 0.00 -1.44 0.18 119.26 127.78 3kx6 h ALA 318 Ca 0.00 0.18 -0.00 0.00 0.00 0.00 0.00 54.91 55.09 3kx6 h ALA 318 Cb 0.75 0.40 -0.02 0.00 0.00 0.00 0.00 17.79 18.93 3kx6 h ALA 318 CO 0.00 -0.47 0.21 0.00 0.00 0.00 0.00 179.25 178.99 3kx6 h ALA 319 N 1.41 0.43 0.01 0.00 0.00 -1.81 -0.71 119.26 118.59 3kx6 h ALA 319 Ca 0.23 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.09 3kx6 h ALA 319 Cb 0.38 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.03 3kx6 h ALA 319 CO -0.50 -0.08 -0.00 0.00 0.00 0.00 0.00 179.25 178.66 3kx6 h ALA 320 N 1.09 -0.01 -0.77 0.00 0.00 -1.52 -1.98 119.26 116.07 3kx6 h ALA 320 Ca 0.12 -0.06 0.13 0.00 0.00 0.00 0.00 54.91 55.10 3kx6 h ALA 320 Cb -0.00 0.00 -0.09 0.00 0.00 0.00 0.00 17.79 17.71 3kx6 h ALA 320 CO -0.02 -0.45 0.37 0.00 0.00 0.00 0.00 179.25 179.15 3kx6 h ALA 321 N 0.88 1.11 -0.68 0.00 0.00 -0.57 -2.01 119.26 117.99 3kx6 h ALA 321 Ca -0.00 0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 3kx6 h ALA 321 Cb 0.11 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 3kx6 h ALA 321 CO 0.00 -0.11 0.26 1.96 0.00 0.00 0.00 179.25 181.37 3kx6 h GLN 322 N 0.57 1.03 -0.92 0.00 4.20 -0.81 -1.90 115.11 117.27 3kx6 h GLN 322 Ca 0.41 -0.19 -0.00 0.00 0.06 0.00 0.00 58.65 58.92 3kx6 h GLN 322 Cb 0.54 -0.16 -0.04 0.00 0.30 0.00 0.00 27.48 28.12 3kx6 h GLN 322 CO -0.34 0.86 0.56 -0.44 -0.67 0.00 0.00 178.83 178.79 3kx6 h ASP 323 N 0.97 1.10 -0.64 1.46 3.32 -0.67 -1.07 116.42 120.90 3kx6 h ASP 323 Ca 0.23 -0.07 -0.02 0.00 0.02 0.00 0.00 57.03 57.19 3kx6 h ASP 323 Cb 0.22 -0.28 -0.03 0.00 0.22 0.00 0.00 39.33 39.47 3kx6 h ASP 323 CO -0.02 0.84 0.31 0.58 -1.72 0.00 0.00 179.24 179.23 3kx6 h VAL 324 N 1.26 1.22 -0.72 -1.35 2.07 -1.18 -0.59 116.25 116.96 3kx6 h VAL 324 Ca 0.33 -0.61 -0.03 0.00 0.82 0.00 0.00 66.70 67.21 3kx6 h VAL 324 Cb -0.06 0.45 -0.03 0.00 -1.52 0.00 0.00 31.29 30.12 3kx6 h VAL 324 CO -0.06 0.25 0.33 0.25 0.02 0.00 0.00 177.57 178.35 3kx6 h LEU 325 N 0.88 0.97 -0.68 2.57 5.85 -0.71 -1.39 115.31 122.80 3kx6 h LEU 325 Ca 0.22 -0.15 -0.09 0.00 0.84 0.00 0.00 57.88 58.70 3kx6 h LEU 325 Cb 0.11 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 40.87 3kx6 h LEU 325 CO -0.03 0.85 0.02 0.24 -0.34 0.00 0.00 178.44 179.18 3kx6 h MET 326 N 1.02 1.05 0.08 1.25 2.86 -0.97 0.65 114.93 120.87 3kx6 h MET 326 Ca 0.25 -0.32 0.02 0.00 -2.06 0.00 0.00 59.70 57.59 3kx6 h MET 326 Cb 0.16 -0.10 -0.03 0.00 0.06 0.00 0.00 31.60 31.68 3kx6 h MET 326 CO -0.03 1.01 -0.19 0.87 1.06 0.00 0.00 176.91 179.64 3kx6 h LYS 327 N 0.96 -0.33 -0.32 1.72 6.56 -0.56 0.25 116.57 124.85 3kx6 h LYS 327 Ca 0.18 0.02 -0.11 0.00 -1.06 0.00 0.00 60.65 59.68 3kx6 h LYS 327 Cb 0.53 0.08 -0.01 0.00 -0.57 0.00 0.00 32.23 32.25 3kx6 h LYS 327 CO 0.03 -0.22 -0.27 -0.07 -2.06 0.00 0.00 179.45 176.86 3kx6 h LEU 328 N -0.34 0.67 -0.63 2.94 3.38 -1.14 -1.64 115.31 118.54 3kx6 h LEU 328 Ca 0.03 -0.25 -0.04 0.00 0.09 0.00 0.00 57.88 57.72 3kx6 h LEU 328 Cb 0.38 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.91 3kx6 h LEU 328 CO -0.12 0.91 0.25 0.00 0.09 0.00 0.00 178.44 179.57 3kx6 h ALA 329 N 1.14 0.82 0.15 1.53 0.00 -0.79 -2.59 119.26 119.52 3kx6 h ALA 329 Ca 0.07 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 3kx6 h ALA 329 Cb 0.75 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.30 3kx6 h ALA 329 CO 0.06 0.43 -0.07 0.37 0.00 0.00 0.00 179.25 180.04 3kx6 h GLN 330 N 0.88 -0.20 -0.60 0.00 4.15 -0.70 0.18 115.11 118.82 3kx6 h GLN 330 Ca 0.21 0.01 -0.02 0.00 0.77 0.00 0.00 58.65 59.63 3kx6 h GLN 330 Cb 0.20 0.05 -0.03 0.00 0.21 0.00 0.00 27.48 27.91 3kx6 h GLN 330 CO -0.02 0.01 0.31 -0.56 -1.93 0.00 0.00 178.83 176.64 3kx6 h GLN 331 N -0.38 0.83 -0.16 1.69 3.07 -1.30 -1.40 115.11 117.47 3kx6 h GLN 331 Ca -0.02 -0.09 -0.16 0.00 0.09 0.00 0.00 58.65 58.46 3kx6 h GLN 331 Cb 0.30 -0.16 -0.01 0.00 0.08 0.00 0.00 27.48 27.69 3kx6 h GLN 331 CO 0.03 0.63 -0.57 -0.91 0.09 0.00 0.00 178.83 178.10 3kx6 h ASN 332 N 0.84 0.56 -0.67 0.06 2.35 -1.37 0.37 115.58 117.71 3kx6 h ASN 332 Ca 0.21 -0.31 0.10 0.00 -0.55 0.00 0.00 56.30 55.76 3kx6 h ASN 332 Cb 0.06 -0.16 -0.08 0.00 0.05 0.00 0.00 38.32 38.19 3kx6 h ASN 332 CO -0.03 1.01 0.29 -1.28 -1.65 0.00 0.00 177.43 175.77 3kx6 h SER 333 N 0.38 0.32 -0.31 5.81 0.87 -0.52 -0.87 113.55 119.23 3kx6 h SER 333 Ca 0.00 0.08 -0.14 0.00 -1.23 0.00 0.00 61.79 60.50 3kx6 h SER 333 Cb 1.11 0.04 -0.00 0.00 -0.44 0.00 0.00 62.40 63.11 3kx6 h SER 333 CO 0.10 0.17 -0.35 -0.33 -0.53 0.00 0.00 176.83 175.90 3kx6 h GLU 334 N 0.48 0.77 -0.77 2.24 5.08 -0.73 -2.91 114.58 118.74 3kx6 h GLU 334 Ca 0.34 -0.42 0.05 0.00 -1.00 0.00 0.00 59.36 58.33 3kx6 h GLU 334 Cb 0.43 0.02 -0.05 0.00 0.50 0.00 0.00 28.75 29.65 3kx6 h GLU 334 CO -0.31 1.05 0.51 0.00 -1.00 0.00 0.00 179.01 179.25 3kx6 h ALA 335 N 0.71 1.60 0.00 3.43 0.00 -0.78 -0.07 119.26 124.14 3kx6 h ALA 335 Ca 0.04 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3kx6 h ALA 335 Cb 0.93 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.48 3kx6 h ALA 335 CO 0.08 0.31 0.00 0.66 0.00 0.00 0.00 179.25 180.30 3kx6 h SER 336 N 0.88 0.00 -0.32 0.00 4.64 -0.96 -1.51 113.55 116.29 3kx6 h SER 336 Ca 0.32 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.64 3kx6 h SER 336 Cb 0.14 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.23 3kx6 h SER 336 CO -0.10 0.00 0.00 0.18 -0.87 0.00 0.00 176.83 176.04 3kx6 n LEU 337 N -2.44 2.91 -1.59 5.97 4.77 -0.61 -4.63 117.00 121.37 3kx6 n LEU 337 Ca 0.01 -1.68 -0.14 0.00 -0.03 0.00 0.00 56.01 54.17 3kx6 n LEU 337 Cb 0.18 -0.21 -0.01 0.00 -2.33 0.00 0.00 43.42 41.06 3kx6 n LEU 337 CO 0.18 0.68 -0.18 0.61 -1.33 0.00 0.00 177.39 177.36 3kx6 n GLY 338 N 0.84 -0.20 1.57 -0.72 0.00 -0.57 -4.94 105.19 101.17 3kx6 n GLY 338 Ca 0.13 -0.30 -0.07 0.00 0.00 0.00 0.00 46.02 45.78 3kx6 n GLY 338 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3kx6 n SER 339 N -0.66 2.85 0.00 1.61 7.64 -0.14 -4.77 113.62 120.15 3kx6 n SER 339 Ca -0.16 -3.35 0.00 0.00 1.01 0.00 0.00 58.87 56.37 3kx6 n SER 339 Cb 0.63 -0.42 0.00 0.00 -1.01 0.00 0.00 64.21 63.40 3kx6 n SER 339 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 3kx6 n LEU 340 N -0.69 0.58 -0.04 -3.43 7.94 -1.24 -4.73 117.00 115.39 3kx6 n LEU 340 Ca 0.25 0.55 -0.00 0.00 -1.11 0.00 0.00 56.01 55.70 3kx6 n LEU 340 Cb 0.87 -0.33 0.00 0.00 0.53 0.00 0.00 43.42 44.49 3kx6 n LEU 340 CO 0.15 -0.33 0.05 0.00 -1.11 0.00 0.00 177.39 176.15 3kx6 n ALA 354 N -1.49 -0.02 -2.81 1.96 0.00 -1.26 -5.02 120.51 111.87 3kx6 n ALA 354 Ca 0.00 0.09 -0.10 0.00 0.00 0.00 0.00 53.44 53.43 3kx6 n ALA 354 Cb 0.00 -0.03 -0.07 0.00 0.00 0.00 0.00 19.45 19.35 3kx6 n ALA 354 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 3kx6 s LYS 355 N -5.08 0.88 0.24 0.00 2.36 -1.26 -5.15 119.74 111.74 3kx6 s LYS 355 Ca -0.01 -0.75 -0.30 0.00 -2.55 0.00 0.00 55.97 52.36 3kx6 s LYS 355 Cb 0.02 0.37 -0.09 0.00 -1.05 0.00 0.00 37.83 37.08 3kx6 s LYS 355 CO 0.06 -0.30 1.13 0.71 1.55 0.00 0.00 175.35 178.50 3kx6 s TYR 356 N -3.40 3.53 0.18 4.03 1.51 -1.26 -5.01 117.35 116.93 3kx6 s TYR 356 Ca 0.01 1.61 -0.31 0.00 -1.01 0.00 0.00 57.07 57.37 3kx6 s TYR 356 Cb 0.02 -3.33 -0.10 0.00 -0.11 0.00 0.00 41.96 38.44 3kx6 s TYR 356 CO -0.09 -0.74 1.58 0.96 -1.11 0.00 0.00 175.55 176.15 3kx6 s ILE 357 N -0.73 2.53 -1.84 2.71 -0.00 -1.26 -5.21 121.20 117.41 3kx6 s ILE 357 Ca 0.47 0.39 0.00 0.00 -0.00 0.00 0.00 60.65 61.51 3kx6 s ILE 357 Cb -0.32 -3.25 0.00 0.00 -0.00 0.00 0.00 42.46 38.89 3kx6 s ILE 357 CO 0.39 0.03 0.46 0.00 -0.00 0.00 0.00 174.94 175.83