#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kxa s PRO 2 N 0.00 2.31 -0.02 0.38 0.04 -1.26 -5.16 135.00 131.29 3kxa s PRO 2 Ca 0.00 -1.89 0.00 0.00 0.04 0.00 0.00 61.00 59.15 3kxa s PRO 2 Cb 0.00 -2.16 0.02 0.00 0.04 0.00 0.00 34.50 32.41 3kxa s PRO 2 CO 0.00 -0.47 0.01 0.14 0.04 0.00 0.00 177.00 176.72 3kxa s VAL 3 N -2.69 0.03 0.02 -0.36 -7.23 -1.26 -5.17 120.40 103.75 3kxa s VAL 3 Ca 0.38 0.12 0.01 0.00 -1.81 0.00 0.00 61.98 60.68 3kxa s VAL 3 Cb -0.02 -0.13 -0.01 0.00 0.56 0.00 0.00 36.38 36.78 3kxa s VAL 3 CO 0.23 0.09 -0.04 0.42 -0.31 0.00 0.00 175.10 175.49 3kxa s THR 4 N 0.78 0.25 -0.22 5.32 -4.23 -1.26 -5.15 115.64 111.12 3kxa s THR 4 Ca -0.07 -0.67 -0.10 0.00 -1.18 0.00 0.00 61.69 59.67 3kxa s THR 4 Cb -0.10 -0.31 -0.05 0.00 1.34 0.00 0.00 72.50 73.38 3kxa s THR 4 CO -0.02 -0.28 0.14 -1.00 -0.54 0.00 0.00 174.62 172.93 3kxa s HIS 5 N -0.94 3.33 -0.03 3.99 3.76 -1.26 -5.09 115.29 119.05 3kxa s HIS 5 Ca -0.08 0.23 0.06 0.00 -0.15 0.00 0.00 55.06 55.12 3kxa s HIS 5 Cb -0.07 -2.22 -0.02 0.00 1.11 0.00 0.00 32.58 31.38 3kxa s HIS 5 CO -0.00 0.13 -0.22 0.96 -0.85 0.00 0.00 174.74 174.76 3kxa s ILE 6 N 0.80 2.40 -0.03 0.60 -4.36 -1.26 -5.11 121.20 114.24 3kxa s ILE 6 Ca 0.07 -0.97 -0.30 0.00 -0.26 0.00 0.00 60.65 59.19 3kxa s ILE 6 Cb -0.13 -1.87 -0.03 0.00 1.25 0.00 0.00 42.46 41.68 3kxa s ILE 6 CO 0.02 0.58 1.04 -0.75 0.24 0.00 0.00 174.94 176.07 3kxa s LYS 7 N -0.62 4.48 0.12 0.37 2.20 -1.26 -5.05 119.74 119.99 3kxa s LYS 7 Ca 0.10 1.48 0.08 0.00 -0.36 0.00 0.00 55.97 57.27 3kxa s LYS 7 Cb -0.10 -3.48 -0.04 0.00 -1.51 0.00 0.00 37.83 32.70 3kxa s LYS 7 CO -0.00 -0.19 -0.19 0.00 -0.36 0.00 0.00 175.35 174.61 3kxa s LEU 9 N -2.17 4.07 -0.32 0.00 2.96 -0.21 -4.97 118.68 118.04 3kxa s LEU 9 Ca 0.09 0.34 -0.11 0.00 -0.22 0.00 0.00 54.13 54.23 3kxa s LEU 9 Cb -0.08 -2.52 -0.01 0.00 0.50 0.00 0.00 46.19 44.08 3kxa s LEU 9 CO 0.05 -0.24 0.19 -0.60 -1.32 0.00 0.00 176.35 174.43 3kxa s ARG 10 N 2.17 3.42 -0.40 1.98 3.52 -1.26 -0.12 118.95 128.26 3kxa s ARG 10 Ca 0.17 -0.67 0.01 0.00 -0.13 0.00 0.00 55.73 55.11 3kxa s ARG 10 Cb -0.16 -3.67 0.13 0.00 -1.56 0.00 0.00 34.95 29.70 3kxa s ARG 10 CO 0.10 -0.42 0.21 -1.50 -0.81 0.00 0.00 175.30 172.88 3kxa s ILE 11 N 1.66 1.14 -0.71 4.11 2.07 -0.38 -4.93 121.20 124.18 3kxa s ILE 11 Ca 0.05 -2.24 -0.03 0.00 -1.41 0.00 0.00 60.65 57.02 3kxa s ILE 11 Cb -0.17 -1.81 0.00 0.00 0.13 0.00 0.00 42.46 40.61 3kxa s ILE 11 CO 0.08 -0.87 0.68 -3.20 -1.91 0.00 0.00 174.94 169.72 3kxa n ASN 12 N 3.84 -7.45 -1.53 4.50 2.85 -1.26 -3.65 115.26 112.56 3kxa n ASN 12 Ca 0.07 -0.10 -0.14 0.00 -0.11 0.00 0.00 54.58 54.30 3kxa n ASN 12 Cb 0.36 -4.85 -0.02 0.00 1.24 0.00 0.00 39.78 36.52 3kxa n ASN 12 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 3kxa n GLY 13 N -1.54 0.11 3.29 8.20 0.00 -1.26 -4.99 105.19 109.00 3kxa n GLY 13 Ca -0.02 -0.30 -0.11 0.00 0.00 0.00 0.00 46.02 45.59 3kxa n GLY 13 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3kxa s GLN 14 N -4.42 0.42 -0.17 1.61 0.74 -1.24 -5.15 119.66 111.44 3kxa s GLN 14 Ca 0.00 0.77 -0.07 0.00 0.05 0.00 0.00 55.36 56.11 3kxa s GLN 14 Cb 0.00 0.02 -0.04 0.00 1.10 0.00 0.00 33.01 34.09 3kxa s GLN 14 CO 0.00 -0.14 0.05 0.42 -0.55 0.00 0.00 175.29 175.07 3kxa s ILE 15 N 1.23 4.70 -0.28 -2.34 1.01 -1.26 -1.24 121.20 123.02 3kxa s ILE 15 Ca -0.08 -0.07 0.02 0.00 0.00 0.00 0.00 60.65 60.52 3kxa s ILE 15 Cb -0.07 -3.10 0.08 0.00 0.01 0.00 0.00 42.46 39.37 3kxa s ILE 15 CO -0.11 0.48 -0.02 -0.75 0.00 0.00 0.00 174.94 174.54 3kxa s LYS 16 N 0.19 1.67 -0.17 2.79 2.20 0.84 -4.97 119.74 122.29 3kxa s LYS 16 Ca 0.04 -1.38 0.07 0.00 -0.36 0.00 0.00 55.97 54.34 3kxa s LYS 16 Cb -0.12 -2.81 -0.15 0.00 -1.51 0.00 0.00 37.83 33.23 3kxa s LYS 16 CO 0.01 -0.73 -0.06 0.00 -0.36 0.00 0.00 175.35 174.20 3kxa s VAL 18 N -2.37 4.80 -0.71 0.00 1.01 -1.26 -4.91 120.40 116.96 3kxa s VAL 18 Ca -0.17 2.04 -0.05 0.00 0.00 0.00 0.00 61.98 63.80 3kxa s VAL 18 Cb 0.06 -4.31 0.18 0.00 0.00 0.00 0.00 36.38 32.31 3kxa s VAL 18 CO 0.52 0.07 0.56 -1.59 0.00 0.00 0.00 175.10 174.66 3kxa s LYS 19 N 1.62 2.89 0.01 2.72 -2.85 -1.26 -5.06 119.74 117.80 3kxa s LYS 19 Ca 0.50 -2.66 -0.30 0.00 -1.00 0.00 0.00 55.97 52.50 3kxa s LYS 19 Cb -0.20 -3.90 -0.07 0.00 -2.06 0.00 0.00 37.83 31.61 3kxa s LYS 19 CO 0.22 -1.21 1.60 -2.14 0.10 0.00 0.00 175.35 173.92 3kxa s PRO 20 N -0.27 4.21 0.15 1.78 0.02 -1.26 -4.95 135.00 134.67 3kxa s PRO 20 Ca 0.19 2.20 -0.31 0.00 0.02 0.00 0.00 61.00 63.11 3kxa s PRO 20 Cb -0.16 -3.73 -0.08 0.00 0.02 0.00 0.00 34.50 30.54 3kxa s PRO 20 CO -0.06 -0.74 1.39 0.96 -0.33 0.00 0.00 177.00 178.22 3kxa s ILE 21 N 3.08 3.17 -0.72 2.83 -5.25 -1.26 -4.99 121.20 118.05 3kxa s ILE 21 Ca 0.72 0.88 0.04 0.00 -0.99 0.00 0.00 60.65 61.29 3kxa s ILE 21 Cb -0.36 -3.56 0.22 0.00 2.95 0.00 0.00 42.46 41.71 3kxa s ILE 21 CO 0.30 0.09 0.68 -0.24 -1.79 0.00 0.00 174.94 173.98 3kxa n SER 22 N 3.49 3.65 -4.10 4.36 2.88 -1.26 -4.96 113.62 117.68 3kxa n SER 22 Ca 0.10 -3.31 -0.39 0.00 -1.33 0.00 0.00 58.87 53.94 3kxa n SER 22 Cb 0.42 -0.79 -0.03 0.00 -0.75 0.00 0.00 64.21 63.06 3kxa n SER 22 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 3kxa n PRO 23 N 1.51 3.23 -0.32 -1.46 -0.04 -1.26 -4.93 135.00 131.73 3kxa n PRO 23 Ca 0.25 -4.51 0.15 0.00 -0.04 0.00 0.00 63.50 59.35 3kxa n PRO 23 Cb 0.38 -2.46 0.31 0.00 -0.04 0.00 0.00 33.50 31.69 3kxa n PRO 23 CO 0.00 0.00 0.00 -0.91 -0.04 0.00 0.00 175.50 174.55 3kxa h ASN 24 N 5.91 -0.20 -1.48 3.54 4.21 -2.04 -3.33 115.58 122.20 3kxa h ASN 24 Ca 0.18 0.24 -0.49 0.00 1.21 0.00 0.00 56.30 57.44 3kxa h ASN 24 Cb 0.78 0.37 -0.07 0.00 -1.12 0.00 0.00 38.32 38.27 3kxa h ASN 24 CO 0.99 -0.27 1.17 0.28 -1.29 0.00 0.00 177.43 178.31 3kxa s THR 25 N -5.94 3.64 0.10 2.81 -1.32 -1.26 -4.91 115.64 108.76 3kxa s THR 25 Ca -0.12 -0.19 0.06 0.00 -1.21 0.00 0.00 61.69 60.22 3kxa s THR 25 Cb 0.28 -4.54 -0.04 0.00 -1.51 0.00 0.00 72.50 66.69 3kxa s THR 25 CO 0.77 -1.47 -0.03 0.42 -2.21 0.00 0.00 174.62 172.11 3kxa s THR 26 N 7.26 3.84 0.23 5.08 -4.23 -1.25 -4.98 115.64 121.60 3kxa s THR 26 Ca 0.54 -1.08 -0.06 0.00 -1.18 0.00 0.00 61.69 59.90 3kxa s THR 26 Cb -0.06 -2.83 0.19 0.00 1.34 0.00 0.00 72.50 71.14 3kxa s THR 26 CO 0.04 0.10 1.74 -0.65 -0.54 0.00 0.00 174.62 175.32 3kxa h PRO 27 N 3.43 0.45 -0.36 3.99 0.11 -1.97 0.49 132.00 138.15 3kxa h PRO 27 Ca -0.48 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 65.60 3kxa h PRO 27 Cb 1.17 -0.10 -0.02 0.00 0.11 0.00 0.00 31.00 32.16 3kxa h PRO 27 CO 0.58 0.30 0.22 0.00 -0.21 0.00 0.00 178.00 178.88 3kxa h ALA 28 N 1.50 0.45 0.09 -0.75 0.00 -1.99 0.22 119.26 118.79 3kxa h ALA 28 Ca 0.38 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.23 3kxa h ALA 28 Cb 0.52 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.17 3kxa h ALA 28 CO -0.36 -0.05 -0.04 0.00 0.00 0.00 0.00 179.25 178.80 3kxa h ALA 29 N 1.09 -0.12 -0.93 0.00 0.00 -1.62 -2.57 119.26 115.12 3kxa h ALA 29 Ca 0.13 -0.08 0.22 0.00 0.00 0.00 0.00 54.91 55.18 3kxa h ALA 29 Cb -0.00 0.05 -0.12 0.00 0.00 0.00 0.00 17.79 17.72 3kxa h ALA 29 CO -0.02 -0.51 0.47 1.49 0.00 0.00 0.00 179.25 180.67 3kxa h GLU 30 N -0.23 0.49 0.59 0.00 4.57 0.15 -2.02 114.58 118.12 3kxa h GLU 30 Ca -0.01 -0.03 -0.03 0.00 -1.18 0.00 0.00 59.36 58.11 3kxa h GLU 30 Cb 0.19 -0.11 0.01 0.00 -0.16 0.00 0.00 28.75 28.68 3kxa h GLU 30 CO 0.02 0.32 -0.28 1.25 -1.18 0.00 0.00 179.01 179.14 3kxa h HIS 31 N 0.50 -0.73 -0.91 0.92 2.76 -0.18 -2.30 115.15 115.20 3kxa h HIS 31 Ca 0.57 -0.02 0.07 0.00 -2.20 0.00 0.00 60.37 58.80 3kxa h HIS 31 Cb 1.05 0.24 -0.07 0.00 1.55 0.00 0.00 27.41 30.18 3kxa h HIS 31 CO -0.09 -0.40 0.57 0.82 -1.30 0.00 0.00 177.93 177.54 3kxa h ILE 32 N -1.04 1.03 -0.37 6.26 2.04 -1.39 -0.27 117.51 123.77 3kxa h ILE 32 Ca -0.08 -0.35 0.06 0.00 1.00 0.00 0.00 64.86 65.49 3kxa h ILE 32 Cb 0.66 -0.08 -0.06 0.00 -0.74 0.00 0.00 36.82 36.61 3kxa h ILE 32 CO 0.13 0.19 0.01 -0.08 0.00 0.00 0.00 178.15 178.40 3kxa h GLU 33 N 1.02 0.11 -0.53 2.37 4.81 -1.36 0.48 114.58 121.48 3kxa h GLU 33 Ca 0.41 -0.01 -0.09 0.00 -0.13 0.00 0.00 59.36 59.54 3kxa h GLU 33 Cb 0.22 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.56 3kxa h GLU 33 CO -0.19 0.07 -0.03 0.45 -0.73 0.00 0.00 179.01 178.59 3kxa h HIS 34 N 0.12 1.01 -0.80 0.92 3.86 -0.70 -2.50 115.15 117.06 3kxa h HIS 34 Ca 0.18 -0.17 0.01 0.00 -1.16 0.00 0.00 60.37 59.23 3kxa h HIS 34 Cb 0.24 -0.27 -0.04 0.00 1.06 0.00 0.00 27.41 28.41 3kxa h HIS 34 CO -0.24 0.92 0.53 0.28 0.86 0.00 0.00 177.93 180.28 3kxa h VAL 35 N 0.85 1.21 0.00 2.45 2.07 -0.65 -2.48 116.25 119.70 3kxa h VAL 35 Ca 0.15 -0.37 0.00 0.00 0.82 0.00 0.00 66.70 67.30 3kxa h VAL 35 Cb 0.54 0.03 0.00 0.00 -1.52 0.00 0.00 31.29 30.35 3kxa h VAL 35 CO 0.03 0.20 0.00 0.54 0.02 0.00 0.00 177.57 178.36 3kxa n ARG 36 N -4.53 0.36 0.21 1.57 1.74 0.12 -3.16 116.66 112.97 3kxa n ARG 36 Ca 0.08 0.04 0.09 0.00 -0.77 0.00 0.00 57.85 57.29 3kxa n ARG 36 Cb 0.01 -1.50 0.39 0.00 -1.02 0.00 0.00 32.46 30.35 3kxa n ARG 36 CO 0.00 0.00 0.00 -0.22 -1.52 0.00 0.00 177.63 175.89 3kxa h LYS 37 N 0.00 0.00 -6.11 5.56 3.64 -1.00 -3.41 116.57 115.24 3kxa h LYS 37 Ca 0.00 0.00 -0.57 0.00 -1.27 0.00 0.00 60.65 58.81 3kxa h LYS 37 Cb 0.26 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 32.02 3kxa h LYS 37 CO 0.00 0.26 0.48 1.21 -2.27 0.00 0.00 179.45 179.14 3kxa s ASN 38 N -6.24 7.11 0.41 4.20 2.47 -1.19 -4.94 114.94 116.76 3kxa s ASN 38 Ca 0.01 1.36 0.18 0.00 0.42 0.00 0.00 52.86 54.84 3kxa s ASN 38 Cb 0.10 -2.51 0.90 0.00 -1.45 0.00 0.00 41.25 38.30 3kxa s ASN 38 CO 0.65 -0.42 1.87 1.55 -3.72 0.00 0.00 177.10 177.03 3kxa h PRO 39 N 7.19 0.00 -0.10 0.43 0.13 -1.89 -0.96 132.00 136.80 3kxa h PRO 39 Ca -0.30 0.00 -0.24 0.00 -0.87 0.00 0.00 66.00 64.59 3kxa h PRO 39 Cb 1.14 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.28 3kxa h PRO 39 CO 0.85 0.30 -0.87 0.00 -0.23 0.00 0.00 178.00 178.05 3kxa h ARG 40 N 0.00 0.76 -0.22 0.86 3.08 -1.94 -2.13 114.38 114.79 3kxa h ARG 40 Ca -0.00 -0.68 -0.04 0.00 0.07 0.00 0.00 59.98 59.33 3kxa h ARG 40 Cb 0.64 0.16 -0.01 0.00 0.08 0.00 0.00 29.97 30.84 3kxa h ARG 40 CO 0.04 1.28 -0.00 0.00 -1.07 0.00 0.00 179.97 180.21 3kxa h ARG 41 N 0.49 0.38 -0.52 0.04 3.08 -1.80 -2.85 114.38 113.19 3kxa h ARG 41 Ca -0.08 -0.12 0.07 0.00 0.07 0.00 0.00 59.98 59.92 3kxa h ARG 41 Cb 1.51 -0.03 -0.06 0.00 0.08 0.00 0.00 29.97 31.47 3kxa h ARG 41 CO 0.18 0.58 0.20 -0.22 -1.07 0.00 0.00 179.97 179.64 3kxa h LYS 42 N 0.15 0.38 0.24 0.04 3.64 -1.13 -2.25 116.57 117.64 3kxa h LYS 42 Ca 0.06 -0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.41 3kxa h LYS 42 Cb 0.41 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.13 3kxa h LYS 42 CO 0.01 0.25 -0.16 0.00 -2.27 0.00 0.00 179.45 177.28 3kxa h ALA 43 N 1.34 -0.38 0.00 5.00 0.00 -1.42 0.97 119.26 124.76 3kxa h ALA 43 Ca 0.25 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.09 3kxa h ALA 43 Cb 0.26 0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.26 3kxa h ALA 43 CO -0.24 -0.73 0.00 0.00 0.00 0.00 0.00 179.25 178.28 3kxa n ALA 44 N -2.35 0.49 0.00 0.00 0.00 -0.85 -0.73 120.51 117.07 3kxa n ALA 44 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.35 3kxa n ALA 44 Cb 0.20 -0.41 0.00 0.00 0.00 0.00 0.00 19.45 19.24 3kxa n ALA 44 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3kxa n ASP 46 N 0.05 0.00 -0.23 0.00 8.00 0.33 -2.41 116.55 122.30 3kxa n ASP 46 Ca 0.00 0.00 -0.03 0.00 0.71 0.00 0.00 54.79 55.47 3kxa n ASP 46 Cb 0.00 0.00 0.16 0.00 -0.02 0.00 0.00 41.12 41.26 3kxa n ASP 46 CO 0.00 0.00 0.00 0.03 -0.39 0.00 0.00 177.20 176.84 3kxa h ARG 47 N 0.00 1.03 -0.29 -1.24 3.08 -1.20 -0.87 114.38 114.89 3kxa h ARG 47 Ca 0.00 -0.14 -0.02 0.00 0.07 0.00 0.00 59.98 59.89 3kxa h ARG 47 Cb 0.00 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 29.85 3kxa h ARG 47 CO 0.00 0.80 0.11 0.00 -1.07 0.00 0.00 179.97 179.81 3kxa h ALA 48 N 1.35 0.38 -0.92 0.04 0.00 -1.72 -2.35 119.26 116.05 3kxa h ALA 48 Ca 0.25 -0.13 0.07 0.00 0.00 0.00 0.00 54.91 55.10 3kxa h ALA 48 Cb 0.10 -0.11 -0.07 0.00 0.00 0.00 0.00 17.79 17.71 3kxa h ALA 48 CO -0.03 -0.01 0.58 0.00 0.00 0.00 0.00 179.25 179.78 3kxa h ALA 49 N 0.95 1.29 -0.23 0.00 0.00 -1.71 -1.28 119.26 118.28 3kxa h ALA 49 Ca 0.10 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 3kxa h ALA 49 Cb 0.19 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 3kxa h ALA 49 CO -0.01 0.31 0.03 0.00 0.00 0.00 0.00 179.25 179.59 3kxa h ALA 50 N 1.44 0.31 -0.66 0.00 0.00 -1.07 0.25 119.26 119.53 3kxa h ALA 50 Ca 0.41 -0.18 0.04 0.00 0.00 0.00 0.00 54.91 55.17 3kxa h ALA 50 Cb 0.22 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 17.88 3kxa h ALA 50 CO -0.19 -0.01 0.39 0.00 0.00 0.00 0.00 179.25 179.44 3kxa h ARG 51 N 0.18 0.73 -0.32 0.00 3.08 -1.04 -1.81 114.38 115.20 3kxa h ARG 51 Ca 0.07 -0.04 -0.12 0.00 0.07 0.00 0.00 59.98 59.96 3kxa h ARG 51 Cb 0.33 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 30.21 3kxa h ARG 51 CO 0.01 0.48 -0.28 0.82 -1.07 0.00 0.00 179.97 179.93 3kxa h ILE 52 N 0.75 1.28 -0.12 2.04 2.04 -0.99 -2.87 117.51 119.64 3kxa h ILE 52 Ca 0.28 -1.38 -0.03 0.00 1.00 0.00 0.00 64.86 64.72 3kxa h ILE 52 Cb 0.08 1.33 -0.01 0.00 -0.74 0.00 0.00 36.82 37.48 3kxa h ILE 52 CO -0.13 0.45 -0.07 0.00 0.00 0.00 0.00 178.15 178.40 3kxa h ALA 53 N 1.13 1.68 -0.25 1.87 0.00 0.20 -1.55 119.26 122.33 3kxa h ALA 53 Ca 0.07 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 3kxa h ALA 53 Cb 0.76 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 3kxa h ALA 53 CO 0.06 0.24 0.10 -0.44 0.00 0.00 0.00 179.25 179.21 3kxa h ASP 54 N 0.17 0.35 -0.26 0.00 3.32 -1.13 -0.06 116.42 118.81 3kxa h ASP 54 Ca 0.04 -0.17 -0.02 0.00 0.02 0.00 0.00 57.03 56.90 3kxa h ASP 54 Cb 0.23 -0.09 -0.02 0.00 0.22 0.00 0.00 39.33 39.67 3kxa h ASP 54 CO 0.01 0.43 0.12 0.11 -1.72 0.00 0.00 179.24 178.19 3kxa h LYS 55 N 0.25 0.44 -0.07 3.56 1.57 -1.38 -1.54 116.57 119.40 3kxa h LYS 55 Ca 0.08 -0.05 -0.03 0.00 -1.87 0.00 0.00 60.65 58.78 3kxa h LYS 55 Cb 0.19 -0.09 -0.00 0.00 0.08 0.00 0.00 32.23 32.41 3kxa h LYS 55 CO -0.01 0.37 -0.08 0.82 -0.57 0.00 0.00 179.45 179.99 3kxa h ILE 56 N 0.44 1.37 -0.55 1.86 2.04 -0.94 -2.40 117.51 119.33 3kxa h ILE 56 Ca 0.11 -1.24 -0.00 0.00 1.00 0.00 0.00 64.86 64.73 3kxa h ILE 56 Cb 0.10 2.03 -0.03 0.00 -0.74 0.00 0.00 36.82 38.18 3kxa h ILE 56 CO -0.01 0.34 0.34 0.00 0.00 0.00 0.00 178.15 178.82 3kxa h ALA 57 N 0.56 0.71 -0.39 1.87 0.00 -0.65 -0.82 119.26 120.53 3kxa h ALA 57 Ca 0.01 -0.07 -0.09 0.00 0.00 0.00 0.00 54.91 54.76 3kxa h ALA 57 Cb 0.59 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 3kxa h ALA 57 CO 0.02 0.19 -0.11 1.25 0.00 0.00 0.00 179.25 180.60 3kxa h LEU 58 N 0.74 0.78 -1.10 0.00 6.46 -1.39 -1.40 115.31 119.40 3kxa h LEU 58 Ca 0.20 -0.37 -0.07 0.00 -0.12 0.00 0.00 57.88 57.52 3kxa h LEU 58 Cb -0.02 -0.21 -0.02 0.00 -0.73 0.00 0.00 40.66 39.68 3kxa h LEU 58 CO -0.04 0.97 -0.11 0.50 -0.62 0.00 0.00 178.44 179.14 3kxa h LYS 59 N 0.58 0.50 -0.02 1.25 1.63 -1.22 -3.32 116.57 115.97 3kxa h LYS 59 Ca 0.10 -0.14 0.00 0.00 -0.85 0.00 0.00 60.65 59.76 3kxa h LYS 59 Cb 0.64 -0.06 0.00 0.00 -0.60 0.00 0.00 32.23 32.21 3kxa h LYS 59 CO 0.04 0.61 -0.27 0.00 -3.45 0.00 0.00 179.45 176.38 3kxa n ALA 60 N -2.48 3.08 0.00 5.00 0.00 -0.33 -4.97 120.51 120.81 3kxa n ALA 60 Ca 0.01 -0.62 0.00 0.00 0.00 0.00 0.00 53.44 52.82 3kxa n ALA 60 Cb 0.31 -0.70 0.00 0.00 0.00 0.00 0.00 19.45 19.06 3kxa n ALA 60 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kxa n GLY 61 N 1.27 1.71 0.00 0.00 0.00 -1.00 -4.91 105.19 102.26 3kxa n GLY 61 Ca 0.10 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 46.00 3kxa n GLY 61 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kxa n GLY 62 N 0.00 -1.14 3.69 -0.02 0.00 -0.56 -4.96 105.19 102.20 3kxa n GLY 62 Ca 0.00 -0.93 -0.42 0.00 0.00 0.00 0.00 46.02 44.66 3kxa n GLY 62 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3kxa n GLU 63 N 0.00 2.79 -3.01 1.61 4.07 -1.26 -4.39 120.64 120.45 3kxa n GLU 63 Ca 0.00 1.01 -0.18 0.00 -0.06 0.00 0.00 57.16 57.93 3kxa n GLU 63 Cb 0.00 -2.91 0.03 0.00 -0.06 0.00 0.00 31.44 28.50 3kxa n GLU 63 CO 0.00 0.00 0.00 0.95 -0.06 0.00 0.00 177.13 178.02 3kxa s THR 64 N 2.77 2.62 0.17 6.31 -4.23 -1.26 -4.28 115.64 117.74 3kxa s THR 64 Ca 0.82 -0.99 -0.12 0.00 -1.18 0.00 0.00 61.69 60.22 3kxa s THR 64 Cb -0.48 -2.64 0.06 0.00 1.34 0.00 0.00 72.50 70.78 3kxa s THR 64 CO 0.38 0.00 1.71 0.15 -0.54 0.00 0.00 174.62 176.32 3kxa h PHE 65 N 0.42 0.87 -0.15 3.99 3.57 -1.88 -1.44 116.94 122.32 3kxa h PHE 65 Ca -0.36 -0.07 -0.01 0.00 3.53 0.00 0.00 57.97 61.06 3kxa h PHE 65 Cb 1.28 -0.26 -0.01 0.00 2.79 0.00 0.00 35.95 39.76 3kxa h PHE 65 CO 0.40 0.71 0.05 0.28 -2.23 0.00 0.00 178.31 177.53 3kxa h VAL 66 N 0.78 1.18 -0.33 1.41 2.07 -1.93 -2.05 116.25 117.36 3kxa h VAL 66 Ca 0.19 -0.54 0.07 0.00 0.82 0.00 0.00 66.70 67.23 3kxa h VAL 66 Cb 0.22 1.26 -0.08 0.00 -1.52 0.00 0.00 31.29 31.17 3kxa h VAL 66 CO -0.01 0.17 -0.39 -1.28 0.02 0.00 0.00 177.57 176.07 3kxa h SER 67 N 0.06 -1.29 -0.28 0.57 0.87 -1.84 -2.02 113.55 109.63 3kxa h SER 67 Ca 0.05 0.20 0.03 0.00 -1.23 0.00 0.00 61.79 60.83 3kxa h SER 67 Cb 0.21 0.56 -0.03 0.00 -0.44 0.00 0.00 62.40 62.71 3kxa h SER 67 CO -0.00 -0.37 0.10 0.25 -0.53 0.00 0.00 176.83 176.28 3kxa h LEU 68 N -0.34 0.12 -1.19 2.23 5.85 -1.26 -1.69 115.31 119.02 3kxa h LEU 68 Ca 0.13 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.88 3kxa h LEU 68 Cb 0.58 0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.62 3kxa h LEU 68 CO -0.52 0.10 0.00 -1.14 -0.34 0.00 0.00 178.44 176.55 3kxa n ARG 69 N -5.02 0.00 0.00 1.25 0.63 -0.76 -2.43 116.66 110.33 3kxa n ARG 69 Ca -0.01 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.92 3kxa n ARG 69 Cb 0.09 -0.92 0.00 0.00 0.45 0.00 0.00 32.46 32.09 3kxa n ARG 69 CO 0.00 0.00 0.00 1.63 -2.51 0.00 0.00 177.63 176.75 3kxa n LYS 71 N 0.44 0.00 0.00 -0.14 5.02 -0.64 -2.18 118.16 120.66 3kxa n LYS 71 Ca 0.00 0.00 0.15 0.00 -2.02 0.00 0.00 58.31 56.44 3kxa n LYS 71 Cb 0.00 0.00 0.65 0.00 -0.02 0.00 0.00 35.03 35.66 3kxa n LYS 71 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3kxa n LYS 72 N 0.00 1.27 -2.31 1.97 4.76 -1.02 -4.94 118.16 117.88 3kxa n LYS 72 Ca 0.00 -0.55 -0.05 0.00 -2.87 0.00 0.00 58.31 54.85 3kxa n LYS 72 Cb 0.00 -1.49 0.00 0.00 -1.84 0.00 0.00 35.03 31.71 3kxa n LYS 72 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3kxa n GLY 73 N 1.15 0.35 3.39 0.72 0.00 -1.19 -5.05 105.19 104.56 3kxa n GLY 73 Ca 0.19 -0.63 -0.36 0.00 0.00 0.00 0.00 46.02 45.23 3kxa n GLY 73 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3kxa s PHE 74 N -2.52 3.03 0.60 1.61 0.40 -0.93 -5.02 117.98 115.15 3kxa s PHE 74 Ca 0.04 -0.63 -0.18 0.00 -0.60 0.00 0.00 56.93 55.56 3kxa s PHE 74 Cb -0.02 -2.18 -0.03 0.00 0.51 0.00 0.00 43.02 41.30 3kxa s PHE 74 CO 0.05 -0.43 1.17 0.95 0.70 0.00 0.00 175.22 177.67 3kxa s THR 75 N 1.52 2.83 0.36 0.64 -4.23 -1.26 -4.78 115.64 110.72 3kxa s THR 75 Ca 0.06 0.49 0.16 0.00 -1.18 0.00 0.00 61.69 61.22 3kxa s THR 75 Cb -0.15 -3.15 0.36 0.00 1.34 0.00 0.00 72.50 70.90 3kxa s THR 75 CO 0.01 -0.14 1.70 -0.61 -0.54 0.00 0.00 174.62 175.04 3kxa h GLN 76 N 0.77 0.37 -0.21 3.99 4.15 -1.99 0.12 115.11 122.32 3kxa h GLN 76 Ca -0.50 -0.02 -0.02 0.00 0.77 0.00 0.00 58.65 58.88 3kxa h GLN 76 Cb 1.28 -0.08 -0.01 0.00 0.21 0.00 0.00 27.48 28.88 3kxa h GLN 76 CO 0.55 0.25 0.06 1.03 -1.93 0.00 0.00 178.83 178.79 3kxa h SER 77 N 0.38 0.31 -0.12 -0.69 0.87 -1.97 -1.60 113.55 110.74 3kxa h SER 77 Ca 0.69 -0.21 -0.01 0.00 -1.23 0.00 0.00 61.79 61.03 3kxa h SER 77 Cb 1.62 -0.08 -0.01 0.00 -0.44 0.00 0.00 62.40 63.50 3kxa h SER 77 CO -0.47 0.45 0.05 -0.33 -0.53 0.00 0.00 176.83 176.00 3kxa h GLU 78 N 0.17 0.18 -0.75 2.24 5.08 -1.19 -1.90 114.58 118.41 3kxa h GLU 78 Ca 0.07 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.39 3kxa h GLU 78 Cb 0.25 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.43 3kxa h GLU 78 CO -0.00 0.26 0.44 1.25 -1.00 0.00 0.00 179.01 179.97 3kxa h LEU 79 N 0.05 0.91 -0.85 1.33 5.85 -1.14 -0.28 115.31 121.18 3kxa h LEU 79 Ca 0.04 -0.07 0.05 0.00 0.84 0.00 0.00 57.88 58.74 3kxa h LEU 79 Cb 0.15 -0.23 -0.06 0.00 0.37 0.00 0.00 40.66 40.89 3kxa h LEU 79 CO -0.00 0.71 0.54 0.00 -0.34 0.00 0.00 178.44 179.34 3kxa h ALA 80 N 1.23 1.15 -0.14 1.25 0.00 -1.12 -0.69 119.26 120.94 3kxa h ALA 80 Ca 0.27 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.12 3kxa h ALA 80 Cb -0.02 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.51 3kxa h ALA 80 CO -0.05 0.32 -0.08 1.15 0.00 0.00 0.00 179.25 180.59 3kxa h THR 81 N 1.01 1.32 -0.61 0.00 2.02 -1.01 -1.19 112.91 114.45 3kxa h THR 81 Ca 0.36 -1.14 0.05 0.00 0.77 0.00 0.00 66.41 66.45 3kxa h THR 81 Cb 0.10 1.78 -0.04 0.00 -1.74 0.00 0.00 68.15 68.25 3kxa h THR 81 CO -0.15 0.33 0.40 0.00 0.37 0.00 0.00 175.52 176.48 3kxa h ALA 82 N 0.65 1.75 -0.67 6.16 0.00 -0.82 -3.06 119.26 123.28 3kxa h ALA 82 Ca 0.03 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3kxa h ALA 82 Cb 0.55 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.17 3kxa h ALA 82 CO 0.02 0.17 0.00 0.00 0.00 0.00 0.00 179.25 179.44 3kxa n ALA 83 N -2.47 2.39 -2.85 0.00 0.00 -0.29 -4.72 120.51 112.57 3kxa n ALA 83 Ca 0.08 -1.23 -0.21 0.00 0.00 0.00 0.00 53.44 52.08 3kxa n ALA 83 Cb 0.19 -0.93 0.03 0.00 0.00 0.00 0.00 19.45 18.74 3kxa n ALA 83 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kxa n GLY 84 N 1.64 -0.45 3.52 0.00 0.00 -1.11 -4.76 105.19 104.04 3kxa n GLY 84 Ca 0.24 0.05 -0.26 0.00 0.00 0.00 0.00 46.02 46.05 3kxa n GLY 84 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kxa s LEU 85 N -6.18 2.78 0.24 0.99 1.43 -0.47 -5.06 118.68 112.41 3kxa s LEU 85 Ca 0.23 -0.76 -0.30 0.00 -1.03 0.00 0.00 54.13 52.27 3kxa s LEU 85 Cb -0.10 -1.42 -0.09 0.00 0.03 0.00 0.00 46.19 44.61 3kxa s LEU 85 CO 0.28 0.08 0.95 -2.84 0.23 0.00 0.00 176.35 175.05 3kxa s PRO 86 N -3.05 4.84 0.20 1.29 0.02 -1.26 -4.35 135.00 132.69 3kxa s PRO 86 Ca 0.26 1.52 -0.10 0.00 0.02 0.00 0.00 61.00 62.70 3kxa s PRO 86 Cb -0.07 -3.27 0.14 0.00 0.02 0.00 0.00 34.50 31.32 3kxa s PRO 86 CO 0.14 0.49 1.82 0.37 -0.33 0.00 0.00 177.00 179.50 3kxa h GLN 87 N 4.13 1.04 -0.64 5.54 4.15 -1.92 -1.31 115.11 126.10 3kxa h GLN 87 Ca -0.45 -0.12 0.13 0.00 0.77 0.00 0.00 58.65 58.98 3kxa h GLN 87 Cb 1.20 -0.20 -0.10 0.00 0.21 0.00 0.00 27.48 28.59 3kxa h GLN 87 CO 0.68 0.77 0.11 -1.35 -1.93 0.00 0.00 178.83 177.11 3kxa h PRO 88 N 1.03 0.22 -0.64 -2.39 0.11 -1.98 0.26 132.00 128.60 3kxa h PRO 88 Ca 0.26 -0.01 -0.06 0.00 0.11 0.00 0.00 66.00 66.30 3kxa h PRO 88 Cb 0.03 -0.05 -0.03 0.00 0.11 0.00 0.00 31.00 31.06 3kxa h PRO 88 CO -0.04 0.14 0.15 -0.92 -0.21 0.00 0.00 178.00 177.13 3kxa h TYR 89 N 0.23 1.06 -0.51 0.65 3.20 -1.75 -2.38 116.97 117.46 3kxa h TYR 89 Ca 0.34 -0.12 -0.05 0.00 3.14 0.00 0.00 58.73 62.05 3kxa h TYR 89 Cb 0.54 -0.30 -0.02 0.00 1.54 0.00 0.00 36.73 38.49 3kxa h TYR 89 CO -0.28 0.87 0.12 1.25 -1.64 0.00 0.00 178.16 178.48 3kxa h LEU 90 N 0.97 0.77 -0.82 2.82 5.85 -0.59 -1.21 115.31 123.09 3kxa h LEU 90 Ca 0.21 -0.23 0.12 0.00 0.84 0.00 0.00 57.88 58.81 3kxa h LEU 90 Cb 0.35 -0.20 -0.08 0.00 0.37 0.00 0.00 40.66 41.09 3kxa h LEU 90 CO 0.00 0.80 0.43 -1.28 -0.34 0.00 0.00 178.44 178.06 3kxa h SER 91 N 0.70 0.57 -0.54 1.25 0.87 -0.29 -0.93 113.55 115.17 3kxa h SER 91 Ca 0.16 0.07 -0.07 0.00 -1.23 0.00 0.00 61.79 60.72 3kxa h SER 91 Cb 0.33 -0.03 -0.02 0.00 -0.44 0.00 0.00 62.40 62.24 3kxa h SER 91 CO 0.00 0.29 0.07 0.03 -0.53 0.00 0.00 176.83 176.68 3kxa h ARG 92 N 0.68 0.95 -0.75 2.24 3.08 -0.97 -1.84 114.38 117.77 3kxa h ARG 92 Ca 0.42 -0.25 -0.02 0.00 0.07 0.00 0.00 59.98 60.20 3kxa h ARG 92 Cb 0.50 -0.11 -0.04 0.00 0.08 0.00 0.00 29.97 30.40 3kxa h ARG 92 CO -0.31 0.90 0.38 0.82 -1.07 0.00 0.00 179.97 180.70 3kxa h ILE 93 N 0.89 1.23 0.00 2.04 2.04 -0.17 0.24 117.51 123.78 3kxa h ILE 93 Ca 0.18 -0.61 -0.07 0.00 1.00 0.00 0.00 64.86 65.36 3kxa h ILE 93 Cb 0.43 0.25 -0.01 0.00 -0.74 0.00 0.00 36.82 36.75 3kxa h ILE 93 CO 0.01 0.26 -0.35 -0.33 0.00 0.00 0.00 178.15 177.75 3kxa h GLU 94 N 1.05 0.00 0.00 2.37 5.08 -0.88 -3.42 114.58 118.78 3kxa h GLU 94 Ca 0.26 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.62 3kxa h GLU 94 Cb 0.07 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.32 3kxa h GLU 94 CO -0.04 0.35 -0.77 0.09 -1.00 0.00 0.00 179.01 177.64 3kxa n ASN 95 N -3.28 1.69 -0.09 1.42 3.02 -0.72 -4.78 115.26 112.52 3kxa n ASN 95 Ca 0.02 0.00 -0.15 0.00 -0.03 0.00 0.00 54.58 54.42 3kxa n ASN 95 Cb 0.60 0.00 -0.07 0.00 -0.61 0.00 0.00 39.78 39.70 3kxa n ASN 95 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 3kxa n SER 96 N -2.55 2.18 -4.75 6.41 7.64 0.38 -5.06 113.62 117.87 3kxa n SER 96 Ca 0.00 0.02 -0.38 0.00 1.01 0.00 0.00 58.87 59.52 3kxa n SER 96 Cb 0.39 -0.36 0.03 0.00 -1.01 0.00 0.00 64.21 63.25 3kxa n SER 96 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 3kxa s LYS 97 N -2.34 3.26 -0.12 1.43 1.02 0.56 -5.00 119.74 118.56 3kxa s LYS 97 Ca -0.24 2.15 0.16 0.00 0.02 0.00 0.00 55.97 58.07 3kxa s LYS 97 Cb 0.07 -2.29 -0.24 0.00 -0.52 0.00 0.00 37.83 34.85 3kxa s LYS 97 CO 0.37 -1.07 0.35 1.04 -0.92 0.00 0.00 175.35 175.11 3kxa n GLN 98 N -0.92 0.66 -4.09 1.68 6.02 -1.26 -4.99 117.38 114.48 3kxa n GLN 98 Ca 0.10 0.12 -0.11 0.00 -0.01 0.00 0.00 57.00 57.10 3kxa n GLN 98 Cb 0.45 -1.64 -0.07 0.00 1.02 0.00 0.00 30.24 30.00 3kxa n GLN 98 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 3kxa s SER 99 N -5.72 0.10 -0.04 1.08 1.04 -1.26 -5.08 113.70 103.82 3kxa s SER 99 Ca -0.08 -1.17 0.06 0.00 0.48 0.00 0.00 55.95 55.25 3kxa s SER 99 Cb 0.07 0.51 -0.01 0.00 0.10 0.00 0.00 66.02 66.68 3kxa s SER 99 CO 0.83 -1.03 -0.24 -0.76 0.98 0.00 0.00 173.24 173.03 3kxa s LEU 100 N -3.10 2.04 0.59 2.42 1.43 -1.26 -5.07 118.68 115.73 3kxa s LEU 100 Ca 0.30 -0.46 -0.19 0.00 -1.03 0.00 0.00 54.13 52.75 3kxa s LEU 100 Cb 0.03 -1.27 -0.04 0.00 0.03 0.00 0.00 46.19 44.93 3kxa s LEU 100 CO 0.11 0.25 1.19 -1.10 0.23 0.00 0.00 176.35 177.04 3kxa s GLN 101 N -0.28 3.02 0.22 1.70 -0.21 -1.26 -4.90 119.66 117.96 3kxa s GLN 101 Ca 0.01 1.78 -0.07 0.00 0.02 0.00 0.00 55.36 57.10 3kxa s GLN 101 Cb -0.12 -1.94 0.32 0.00 1.00 0.00 0.00 33.01 32.27 3kxa s GLN 101 CO 0.02 -1.16 1.79 0.22 -2.12 0.00 0.00 175.29 174.04 3kxa h ASP 102 N 0.90 0.52 -0.95 5.90 -0.00 -2.00 -2.13 116.42 118.66 3kxa h ASP 102 Ca -0.50 0.05 0.13 0.00 -0.00 0.00 0.00 57.03 56.70 3kxa h ASP 102 Cb 1.29 -0.05 -0.08 0.00 -0.00 0.00 0.00 39.33 40.50 3kxa h ASP 102 CO 0.55 0.31 0.61 0.50 -0.00 0.00 0.00 179.24 181.21 3kxa h LYS 103 N 0.66 0.85 -0.09 0.28 3.64 -2.00 -2.43 116.57 117.48 3kxa h LYS 103 Ca 0.34 -0.05 -0.05 0.00 -1.27 0.00 0.00 60.65 59.62 3kxa h LYS 103 Cb 0.31 -0.19 -0.00 0.00 -0.41 0.00 0.00 32.23 31.94 3kxa h LYS 103 CO -0.24 0.56 -0.14 1.15 -2.27 0.00 0.00 179.45 178.51 3kxa h THR 104 N 0.87 1.39 -0.90 1.00 2.02 -1.77 -1.94 112.91 113.58 3kxa h THR 104 Ca 0.48 -1.39 0.20 0.00 0.77 0.00 0.00 66.41 66.46 3kxa h THR 104 Cb 0.57 2.10 -0.11 0.00 -1.74 0.00 0.00 68.15 68.97 3kxa h THR 104 CO -0.24 0.39 0.44 0.58 0.37 0.00 0.00 175.52 177.07 3kxa h VAL 105 N -0.19 0.58 -0.05 3.16 2.07 -1.09 0.12 116.25 120.84 3kxa h VAL 105 Ca 0.01 -0.18 -0.04 0.00 0.82 0.00 0.00 66.70 67.31 3kxa h VAL 105 Cb 0.70 0.02 0.00 0.00 -1.52 0.00 0.00 31.29 30.49 3kxa h VAL 105 CO 0.03 0.09 -0.11 1.56 0.02 0.00 0.00 177.57 179.17 3kxa h GLN 106 N 0.52 0.16 -0.67 1.57 4.20 -1.34 0.28 115.11 119.83 3kxa h GLN 106 Ca 0.54 -0.11 0.13 0.00 0.06 0.00 0.00 58.65 59.27 3kxa h GLN 106 Cb 0.93 0.01 -0.09 0.00 0.30 0.00 0.00 27.48 28.63 3kxa h GLN 106 CO -0.46 0.69 0.18 0.87 -0.67 0.00 0.00 178.83 179.45 3kxa h LYS 107 N -0.35 0.30 -0.29 1.46 1.57 -0.80 -0.46 116.57 117.99 3kxa h LYS 107 Ca 0.00 -0.02 -0.13 0.00 -1.87 0.00 0.00 60.65 58.63 3kxa h LYS 107 Cb 0.69 -0.07 -0.00 0.00 0.08 0.00 0.00 32.23 32.93 3kxa h LYS 107 CO 0.02 0.20 -0.33 -0.07 -0.57 0.00 0.00 179.45 178.71 3kxa h LEU 108 N 0.31 0.79 -0.52 2.94 3.38 -0.71 -2.05 115.31 119.45 3kxa h LEU 108 Ca 0.36 -0.48 0.04 0.00 0.09 0.00 0.00 57.88 57.89 3kxa h LEU 108 Cb 0.56 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 41.04 3kxa h LEU 108 CO -0.43 1.11 0.27 0.00 0.09 0.00 0.00 178.44 179.48 3kxa h ALA 109 N 0.70 0.67 -0.17 1.53 0.00 0.06 -1.80 119.26 120.25 3kxa h ALA 109 Ca 0.04 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 3kxa h ALA 109 Cb 0.90 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 3kxa h ALA 109 CO 0.08 -0.07 0.06 -0.91 0.00 0.00 0.00 179.25 178.41 3kxa h ASN 110 N 0.52 0.24 -0.61 0.00 2.35 -1.07 0.43 115.58 117.45 3kxa h ASN 110 Ca 0.23 -0.18 0.06 0.00 -0.55 0.00 0.00 56.30 55.86 3kxa h ASN 110 Cb 0.13 -0.06 -0.05 0.00 0.05 0.00 0.00 38.32 38.38 3kxa h ASN 110 CO -0.16 0.36 0.31 0.00 -1.65 0.00 0.00 177.43 176.29 3kxa h ALA 111 N 0.89 0.81 0.00 -0.83 0.00 -1.07 -2.17 119.26 116.88 3kxa h ALA 111 Ca 0.06 0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.00 3kxa h ALA 111 Cb 0.19 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.91 3kxa h ALA 111 CO -0.00 -0.04 -0.42 1.28 0.00 0.00 0.00 179.25 180.07 3kxa n LEU 112 N -4.85 0.49 -3.36 0.00 4.77 -0.70 -4.98 117.00 108.36 3kxa n LEU 112 Ca 0.07 0.20 -0.17 0.00 -0.03 0.00 0.00 56.01 56.08 3kxa n LEU 112 Cb 0.18 -0.28 0.09 0.00 -2.33 0.00 0.00 43.42 41.08 3kxa n LEU 112 CO 0.28 0.03 0.12 0.61 -1.33 0.00 0.00 177.39 177.10 3kxa n GLY 113 N 1.44 -0.35 3.27 -0.72 0.00 0.14 -5.04 105.19 103.93 3kxa n GLY 113 Ca 0.05 0.10 -0.15 0.00 0.00 0.00 0.00 46.02 46.02 3kxa n GLY 113 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3kxa s VAL 114 N -3.34 0.48 0.72 1.61 -7.23 -0.58 -5.03 120.40 107.03 3kxa s VAL 114 Ca 0.07 -1.99 -0.12 0.00 -1.81 0.00 0.00 61.98 58.13 3kxa s VAL 114 Cb -0.03 -2.44 0.03 0.00 0.56 0.00 0.00 36.38 34.50 3kxa s VAL 114 CO 0.70 -0.16 1.09 -0.94 -0.31 0.00 0.00 175.10 175.49 3kxa s SER 115 N -3.24 4.86 0.25 4.85 1.04 -1.26 -4.50 113.70 115.70 3kxa s SER 115 Ca 0.33 1.86 -0.04 0.00 0.48 0.00 0.00 55.95 58.58 3kxa s SER 115 Cb 0.07 -2.53 0.47 0.00 0.10 0.00 0.00 66.02 64.14 3kxa s SER 115 CO 0.10 -1.79 1.72 -0.65 0.98 0.00 0.00 173.24 173.60 3kxa h PRO 116 N -0.62 0.40 -0.79 4.02 0.11 -1.94 -2.56 132.00 130.62 3kxa h PRO 116 Ca -0.45 -0.02 0.05 0.00 0.11 0.00 0.00 66.00 65.69 3kxa h PRO 116 Cb 1.23 -0.09 -0.06 0.00 0.11 0.00 0.00 31.00 32.20 3kxa h PRO 116 CO 0.53 0.26 0.48 1.25 -0.21 0.00 0.00 178.00 180.31 3kxa h LEU 117 N 0.41 0.76 0.49 2.35 5.85 -1.98 0.17 115.31 123.36 3kxa h LEU 117 Ca 0.42 0.02 -0.02 0.00 0.84 0.00 0.00 57.88 59.13 3kxa h LEU 117 Cb 0.66 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 41.56 3kxa h LEU 117 CO -0.43 0.50 -0.23 -0.33 -0.34 0.00 0.00 178.44 177.60 3kxa h GLU 118 N 0.89 -0.63 -0.23 1.25 5.08 -1.85 0.36 114.58 119.46 3kxa h GLU 118 Ca 0.34 0.04 0.06 0.00 -1.00 0.00 0.00 59.36 58.80 3kxa h GLU 118 Cb 0.13 0.14 -0.07 0.00 0.50 0.00 0.00 28.75 29.46 3kxa h GLU 118 CO -0.16 -0.41 -0.31 0.28 -1.00 0.00 0.00 179.01 177.41 3kxa h VAL 119 N -0.67 0.28 -0.43 3.13 2.07 -1.18 -0.41 116.25 119.03 3kxa h VAL 119 Ca -0.07 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.47 3kxa h VAL 119 Cb 0.51 0.28 -0.03 0.00 -1.52 0.00 0.00 31.29 30.54 3kxa h VAL 119 CO 0.11 0.00 0.27 0.03 0.02 0.00 0.00 177.57 178.00 3kxa h ARG 120 N -0.34 0.54 -0.60 1.57 3.08 -0.58 -1.46 114.38 116.59 3kxa h ARG 120 Ca 0.12 -0.03 -0.00 0.00 0.07 0.00 0.00 59.98 60.14 3kxa h ARG 120 Cb 0.53 -0.12 -0.03 0.00 0.08 0.00 0.00 29.97 30.43 3kxa h ARG 120 CO -0.41 0.36 0.37 0.00 -1.07 0.00 0.00 179.97 179.22 3kxa h ALA 121 N 1.18 1.52 0.17 0.04 0.00 0.04 -1.14 119.26 121.07 3kxa h ALA 121 Ca 0.17 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 3kxa h ALA 121 Cb -0.03 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.52 3kxa h ALA 121 CO -0.06 0.42 -0.08 0.00 0.00 0.00 0.00 179.25 179.53 3kxa h ALA 122 N 1.59 -0.23 -0.67 0.00 0.00 -0.70 -3.15 119.26 116.10 3kxa h ALA 122 Ca 0.22 -0.20 0.14 0.00 0.00 0.00 0.00 54.91 55.07 3kxa h ALA 122 Cb -0.05 0.09 -0.11 0.00 0.00 0.00 0.00 17.79 17.72 3kxa h ALA 122 CO -0.04 -0.42 0.07 0.35 0.00 0.00 0.00 179.25 179.21 3kxa h PHE 123 N -0.66 0.08 0.00 0.00 3.57 -0.97 -1.14 116.94 117.82 3kxa h PHE 123 Ca -0.02 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.52 3kxa h PHE 123 Cb 0.48 0.07 0.00 0.00 2.79 0.00 0.00 35.95 39.28 3kxa h PHE 123 CO 0.05 -0.13 0.00 0.39 -2.23 0.00 0.00 178.31 176.39 3kxa n GLU 124 N -5.23 0.15 0.00 1.11 -0.58 -0.46 -2.63 120.64 113.00 3kxa n GLU 124 Ca 0.11 0.19 0.14 0.00 -0.42 0.00 0.00 57.16 57.18 3kxa n GLU 124 Cb 0.40 -1.50 0.73 0.00 -0.57 0.00 0.00 31.44 30.50 3kxa n GLU 124 CO 0.00 0.00 0.00 -2.13 -0.48 0.00 0.00 177.13 174.52 3kxa n ARG 125 N -1.30 0.44 0.00 3.49 3.00 -0.43 -2.45 116.66 119.41 3kxa n ARG 125 Ca 0.05 0.02 0.13 0.00 -0.00 0.00 0.00 57.85 58.04 3kxa n ARG 125 Cb 0.09 -1.50 0.72 0.00 0.00 0.00 0.00 32.46 31.77 3kxa n ARG 125 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.63 180.52 3kxa n ARG 126 N -1.26 0.65 -3.99 -0.14 1.85 -1.08 -4.85 116.66 107.84 3kxa n ARG 126 Ca 0.14 0.02 -0.24 0.00 -1.00 0.00 0.00 57.85 56.77 3kxa n ARG 126 Cb 0.22 -1.50 -0.06 0.00 -1.05 0.00 0.00 32.46 30.07 3kxa n ARG 126 CO 0.00 0.00 0.00 0.71 -0.01 0.00 0.00 177.63 178.33 3kxa s TYR 127 N -2.21 2.61 -0.33 2.89 1.51 -1.02 -5.11 117.35 115.69 3kxa s TYR 127 Ca 0.34 -0.57 0.03 0.00 -1.01 0.00 0.00 57.07 55.85 3kxa s TYR 127 Cb 0.18 -2.01 0.10 0.00 -0.11 0.00 0.00 41.96 40.11 3kxa s TYR 127 CO 0.33 0.10 0.06 -2.00 -1.11 0.00 0.00 175.55 172.93 3kxa s GLU 128 N -3.97 1.31 0.00 -0.62 2.56 -1.26 -5.10 118.70 111.62 3kxa s GLU 128 Ca 0.43 -1.67 0.00 0.00 0.00 0.00 0.00 54.97 53.73 3kxa s GLU 128 Cb 0.02 -2.91 0.00 0.00 2.00 0.00 0.00 34.13 33.25 3kxa s GLU 128 CO 0.24 -0.94 0.00 0.66 -0.56 0.00 0.00 175.26 174.66 3kxa n TYR 129 N 4.40 0.00 -0.68 5.30 4.02 -1.26 -5.25 117.16 123.69 3kxa n TYR 129 Ca 0.02 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.91 3kxa n TYR 129 Cb 0.42 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.74 3kxa n TYR 129 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 176.86 173.94