#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 2.68 -0.22 0.38 0.04 -1.26 -5.10 135.00 131.52 3kxa s PRO 2 Ca 0.00 -0.59 -0.00 0.00 0.04 0.00 0.00 61.00 60.45 3kxa s PRO 2 Cb 0.00 -2.46 0.06 0.00 0.04 0.00 0.00 34.50 32.14 3kxa s PRO 2 CO 0.00 -0.64 -0.02 0.14 0.04 0.00 0.00 177.00 176.52 3kxa s VAL 3 N -2.77 1.19 0.10 -0.36 -7.23 -1.26 -5.14 120.40 104.92 3kxa s VAL 3 Ca 0.55 -1.01 0.05 0.00 -1.81 0.00 0.00 61.98 59.76 3kxa s VAL 3 Cb -0.10 -1.54 -0.04 0.00 0.56 0.00 0.00 36.38 35.25 3kxa s VAL 3 CO 0.39 -0.15 -0.02 0.42 -0.31 0.00 0.00 175.10 175.44 3kxa s THR 4 N 1.55 3.88 -0.21 5.32 -4.23 -1.26 -5.12 115.64 115.58 3kxa s THR 4 Ca -0.04 -1.07 -0.08 0.00 -1.18 0.00 0.00 61.69 59.33 3kxa s THR 4 Cb -0.18 -2.85 -0.04 0.00 1.34 0.00 0.00 72.50 70.77 3kxa s THR 4 CO -0.07 0.10 0.08 -1.00 -0.54 0.00 0.00 174.62 173.20 3kxa s HIS 5 N -1.32 3.21 -0.03 3.99 3.76 -1.26 -5.09 115.29 118.55 3kxa s HIS 5 Ca 0.25 -0.03 0.07 0.00 -0.15 0.00 0.00 55.06 55.20 3kxa s HIS 5 Cb -0.11 -2.16 -0.02 0.00 1.11 0.00 0.00 32.58 31.40 3kxa s HIS 5 CO 0.18 -0.00 -0.23 0.96 -0.85 0.00 0.00 174.74 174.79 3kxa s ILE 6 N 0.84 2.32 -0.06 0.60 -4.36 -1.26 -5.11 121.20 114.17 3kxa s ILE 6 Ca 0.04 -1.00 -0.30 0.00 -0.26 0.00 0.00 60.65 59.13 3kxa s ILE 6 Cb -0.13 -1.84 -0.02 0.00 1.25 0.00 0.00 42.46 41.72 3kxa s ILE 6 CO 0.02 0.58 1.02 -0.75 0.24 0.00 0.00 174.94 176.05 3kxa s LYS 7 N -0.60 4.46 0.13 0.37 2.20 -1.26 -5.04 119.74 120.00 3kxa s LYS 7 Ca 0.09 1.43 0.09 0.00 -0.36 0.00 0.00 55.97 57.22 3kxa s LYS 7 Cb -0.10 -3.51 -0.04 0.00 -1.51 0.00 0.00 37.83 32.67 3kxa s LYS 7 CO -0.00 -0.23 -0.21 0.00 -0.36 0.00 0.00 175.35 174.55 3kxa s LEU 9 N -2.22 4.11 -0.31 0.00 2.96 -0.32 -4.97 118.68 117.93 3kxa s LEU 9 Ca 0.11 0.30 -0.11 0.00 -0.22 0.00 0.00 54.13 54.22 3kxa s LEU 9 Cb -0.08 -2.54 -0.02 0.00 0.50 0.00 0.00 46.19 44.05 3kxa s LEU 9 CO 0.06 -0.28 0.19 -0.60 -1.32 0.00 0.00 176.35 174.39 3kxa s ARG 10 N 2.22 3.50 -0.39 1.98 3.52 -1.26 -0.03 118.95 128.49 3kxa s ARG 10 Ca 0.18 -0.62 0.01 0.00 -0.13 0.00 0.00 55.73 55.17 3kxa s ARG 10 Cb -0.16 -3.66 0.13 0.00 -1.56 0.00 0.00 34.95 29.70 3kxa s ARG 10 CO 0.10 -0.38 0.20 -1.50 -0.81 0.00 0.00 175.30 172.91 3kxa s ILE 11 N 1.68 1.06 -0.70 4.11 2.07 -0.32 -4.93 121.20 124.16 3kxa s ILE 11 Ca 0.06 -2.14 -0.03 0.00 -1.41 0.00 0.00 60.65 57.12 3kxa s ILE 11 Cb -0.17 -1.76 0.00 0.00 0.13 0.00 0.00 42.46 40.67 3kxa s ILE 11 CO 0.08 -0.86 0.67 -3.20 -1.91 0.00 0.00 174.94 169.72 3kxa n ASN 12 N 3.93 -7.36 -1.58 4.50 2.85 -1.26 -3.62 115.26 112.72 3kxa n ASN 12 Ca 0.07 -0.12 -0.15 0.00 -0.11 0.00 0.00 54.58 54.28 3kxa n ASN 12 Cb 0.37 -4.73 -0.02 0.00 1.24 0.00 0.00 39.78 36.64 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 -1.51 0.05 3.32 8.20 0.00 -1.26 -4.99 105.19 108.99 3kxa n GLY 13 Ca -0.03 -0.28 -0.10 0.00 0.00 0.00 0.00 46.02 45.60 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 -4.49 0.44 -0.17 1.61 0.74 -1.24 -5.16 119.66 111.40 3kxa s GLN 14 Ca 0.00 0.81 -0.07 0.00 0.05 0.00 0.00 55.36 56.15 3kxa s GLN 14 Cb 0.00 0.03 -0.04 0.00 1.10 0.00 0.00 33.01 34.10 3kxa s GLN 14 CO 0.00 -0.15 0.06 0.42 -0.55 0.00 0.00 175.29 175.08 3kxa s ILE 15 N 1.28 4.83 -0.28 -2.34 1.01 -1.26 -1.18 121.20 123.26 3kxa s ILE 15 Ca -0.08 -0.03 0.02 0.00 0.00 0.00 0.00 60.65 60.56 3kxa s ILE 15 Cb -0.07 -3.16 0.08 0.00 0.01 0.00 0.00 42.46 39.32 3kxa s ILE 15 CO -0.12 0.49 -0.02 -0.75 0.00 0.00 0.00 174.94 174.54 3kxa s LYS 16 N 0.12 1.62 -0.17 2.79 2.20 0.96 -4.97 119.74 122.29 3kxa s LYS 16 Ca 0.05 -1.36 0.08 0.00 -0.36 0.00 0.00 55.97 54.38 3kxa s LYS 16 Cb -0.12 -2.78 -0.16 0.00 -1.51 0.00 0.00 37.83 33.26 3kxa s LYS 16 CO 0.01 -0.74 -0.05 0.00 -0.36 0.00 0.00 175.35 174.20 3kxa s VAL 18 N -2.37 4.85 -0.70 0.00 1.01 -1.26 -4.91 120.40 117.01 3kxa s VAL 18 Ca -0.16 1.91 -0.04 0.00 0.00 0.00 0.00 61.98 63.69 3kxa s VAL 18 Cb 0.05 -4.26 0.18 0.00 0.00 0.00 0.00 36.38 32.36 3kxa s VAL 18 CO 0.54 0.07 0.55 -1.59 0.00 0.00 0.00 175.10 174.67 3kxa s LYS 19 N 1.67 2.85 0.36 2.72 -2.85 -1.26 -5.08 119.74 118.14 3kxa s LYS 19 Ca 0.46 -2.66 -0.28 0.00 -1.00 0.00 0.00 55.97 52.50 3kxa s LYS 19 Cb -0.19 -3.88 -0.10 0.00 -2.06 0.00 0.00 37.83 31.61 3kxa s LYS 19 CO 0.19 -1.21 1.29 -1.25 0.10 0.00 0.00 175.35 174.48 3kxa s PRO 20 N -0.26 4.22 0.03 1.78 0.04 -1.26 -4.98 135.00 134.57 3kxa s PRO 20 Ca 0.19 2.17 -0.27 0.00 0.04 0.00 0.00 61.00 63.12 3kxa s PRO 20 Cb -0.17 -2.95 -0.05 0.00 0.04 0.00 0.00 34.50 31.38 3kxa s PRO 20 CO -0.06 -0.28 0.85 0.96 0.04 0.00 0.00 177.00 178.51 3kxa s ILE 21 N -1.20 4.76 -0.74 0.56 -5.25 -1.26 -5.03 121.20 113.05 3kxa s ILE 21 Ca 0.52 1.81 0.04 0.00 -0.99 0.00 0.00 60.65 62.03 3kxa s ILE 21 Cb -0.38 -4.20 0.23 0.00 2.95 0.00 0.00 42.46 41.05 3kxa s ILE 21 CO 0.51 0.29 0.77 -0.24 -1.79 0.00 0.00 174.94 174.47 3kxa n SER 22 N 3.22 3.93 -3.73 4.36 2.88 -1.26 -4.92 113.62 118.11 3kxa n SER 22 Ca 0.01 -3.35 -0.37 0.00 -1.33 0.00 0.00 58.87 53.83 3kxa n SER 22 Cb 0.50 -0.81 -0.02 0.00 -0.75 0.00 0.00 64.21 63.14 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 1.35 3.92 -0.18 -1.46 -0.04 -1.26 -4.92 135.00 132.40 3kxa n PRO 23 Ca 0.26 -4.63 0.02 0.00 -0.04 0.00 0.00 63.50 59.11 3kxa n PRO 23 Cb 0.38 -2.41 0.06 0.00 -0.04 0.00 0.00 33.50 31.48 3kxa n PRO 23 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 3kxa n ASN 24 N 0.94 -0.22 -4.56 3.54 4.13 -1.26 -3.84 115.26 113.99 3kxa n ASN 24 Ca 0.30 0.86 -0.28 0.00 1.68 0.00 0.00 54.58 57.14 3kxa n ASN 24 Cb 0.35 -0.24 -0.05 0.00 -1.54 0.00 0.00 39.78 38.30 3kxa n ASN 24 CO 0.00 0.00 0.00 0.28 0.28 0.00 0.00 177.26 177.82 3kxa s THR 25 N -5.58 3.27 0.11 3.41 -1.32 -1.26 -4.93 115.64 109.33 3kxa s THR 25 Ca -0.07 -0.09 0.07 0.00 -1.21 0.00 0.00 61.69 60.38 3kxa s THR 25 Cb 0.13 -3.65 -0.04 0.00 -1.51 0.00 0.00 72.50 67.43 3kxa s THR 25 CO 0.38 -0.62 -0.08 0.42 -2.21 0.00 0.00 174.62 172.51 3kxa s THR 26 N 11.12 3.48 0.22 5.08 -4.23 -1.25 -4.99 115.64 125.07 3kxa s THR 26 Ca 0.78 -1.24 -0.08 0.00 -1.18 0.00 0.00 61.69 59.97 3kxa s THR 26 Cb -0.11 -2.64 0.17 0.00 1.34 0.00 0.00 72.50 71.26 3kxa s THR 26 CO 0.10 0.10 1.73 -0.65 -0.54 0.00 0.00 174.62 175.36 3kxa h PRO 27 N 3.53 0.39 -0.35 3.99 0.11 -1.97 0.43 132.00 138.13 3kxa h PRO 27 Ca -0.49 -0.02 0.01 0.00 0.11 0.00 0.00 66.00 65.61 3kxa h PRO 27 Cb 1.17 -0.09 -0.02 0.00 0.11 0.00 0.00 31.00 32.17 3kxa h PRO 27 CO 0.54 0.26 0.22 0.00 -0.21 0.00 0.00 178.00 178.81 3kxa h ALA 28 N 1.47 0.44 0.09 -0.75 0.00 -1.99 0.16 119.26 118.69 3kxa h ALA 28 Ca 0.35 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.23 3kxa h ALA 28 Cb 0.47 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.14 3kxa h ALA 28 CO -0.35 -0.11 -0.04 0.00 0.00 0.00 0.00 179.25 178.74 3kxa h ALA 29 N 1.14 -0.13 -0.96 0.00 0.00 -1.59 -2.46 119.26 115.26 3kxa h ALA 29 Ca 0.13 -0.07 0.23 0.00 0.00 0.00 0.00 54.91 55.20 3kxa h ALA 29 Cb -0.04 0.05 -0.12 0.00 0.00 0.00 0.00 17.79 17.68 3kxa h ALA 29 CO -0.04 -0.52 0.53 1.49 0.00 0.00 0.00 179.25 180.70 3kxa h GLU 30 N -0.22 0.53 0.62 0.00 4.57 0.02 -1.98 114.58 118.13 3kxa h GLU 30 Ca -0.01 -0.03 -0.03 0.00 -1.18 0.00 0.00 59.36 58.10 3kxa h GLU 30 Cb 0.18 -0.12 0.01 0.00 -0.16 0.00 0.00 28.75 28.66 3kxa h GLU 30 CO 0.02 0.35 -0.30 1.25 -1.18 0.00 0.00 179.01 179.15 3kxa h HIS 31 N 0.55 -0.78 -0.85 0.92 2.76 -0.23 -2.30 115.15 115.21 3kxa h HIS 31 Ca 0.60 -0.02 0.11 0.00 -2.20 0.00 0.00 60.37 58.87 3kxa h HIS 31 Cb 1.12 0.26 -0.08 0.00 1.55 0.00 0.00 27.41 30.25 3kxa h HIS 31 CO -0.05 -0.45 0.48 0.82 -1.30 0.00 0.00 177.93 177.43 3kxa h ILE 32 N -1.17 0.85 -0.32 6.26 2.04 -1.40 -0.27 117.51 123.51 3kxa h ILE 32 Ca -0.09 -0.26 0.06 0.00 1.00 0.00 0.00 64.86 65.58 3kxa h ILE 32 Cb 0.67 0.03 -0.06 0.00 -0.74 0.00 0.00 36.82 36.72 3kxa h ILE 32 CO 0.14 0.14 -0.09 -0.08 0.00 0.00 0.00 178.15 178.26 3kxa h GLU 33 N 0.76 -0.01 -0.49 2.37 4.81 -1.35 0.43 114.58 121.09 3kxa h GLU 33 Ca 0.43 0.00 -0.09 0.00 -0.13 0.00 0.00 59.36 59.58 3kxa h GLU 33 Cb 0.47 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.84 3kxa h GLU 33 CO -0.29 -0.01 -0.04 0.45 -0.73 0.00 0.00 179.01 178.40 3kxa h HIS 34 N -0.02 0.92 -0.72 0.92 3.86 -0.63 -2.36 115.15 117.12 3kxa h HIS 34 Ca 0.16 -0.15 0.00 0.00 -1.16 0.00 0.00 60.37 59.22 3kxa h HIS 34 Cb 0.25 -0.24 -0.04 0.00 1.06 0.00 0.00 27.41 28.44 3kxa h HIS 34 CO -0.31 0.86 0.46 0.28 0.86 0.00 0.00 177.93 180.08 3kxa h VAL 35 N 0.78 1.19 0.00 2.45 2.07 -0.70 -2.59 116.25 119.46 3kxa h VAL 35 Ca 0.14 -0.39 0.00 0.00 0.82 0.00 0.00 66.70 67.28 3kxa h VAL 35 Cb 0.52 0.16 0.00 0.00 -1.52 0.00 0.00 31.29 30.45 3kxa h VAL 35 CO 0.03 0.19 0.00 0.54 0.02 0.00 0.00 177.57 178.35 3kxa n ARG 36 N -4.56 0.34 0.20 1.57 1.74 0.11 -3.13 116.66 112.93 3kxa n ARG 36 Ca 0.07 0.04 0.08 0.00 -0.77 0.00 0.00 57.85 57.26 3kxa n ARG 36 Cb 0.03 -1.50 0.39 0.00 -1.02 0.00 0.00 32.46 30.37 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 -6.23 5.56 3.64 -1.01 -3.41 116.57 115.13 3kxa h LYS 37 Ca 0.00 0.00 -0.56 0.00 -1.27 0.00 0.00 60.65 58.82 3kxa h LYS 37 Cb 0.27 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.05 3kxa h LYS 37 CO 0.00 0.30 0.61 1.21 -2.27 0.00 0.00 179.45 179.29 3kxa s ASN 38 N -6.32 7.22 0.41 4.20 2.47 -1.18 -4.95 114.94 116.79 3kxa s ASN 38 Ca 0.00 1.50 0.18 0.00 0.42 0.00 0.00 52.86 54.96 3kxa s ASN 38 Cb 0.11 -2.55 0.91 0.00 -1.45 0.00 0.00 41.25 38.27 3kxa s ASN 38 CO 0.66 -0.48 1.88 1.55 -3.72 0.00 0.00 177.10 176.99 3kxa h PRO 39 N 7.16 0.00 -0.09 0.43 0.13 -1.89 -1.25 132.00 136.49 3kxa h PRO 39 Ca -0.29 0.00 -0.24 0.00 -0.87 0.00 0.00 66.00 64.60 3kxa h PRO 39 Cb 1.13 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.28 3kxa h PRO 39 CO 0.88 0.30 -0.89 0.00 -0.23 0.00 0.00 178.00 178.05 3kxa h ARG 40 N 0.00 0.75 -0.21 0.86 3.08 -1.94 -2.19 114.38 114.73 3kxa h ARG 40 Ca -0.00 -0.69 -0.03 0.00 0.07 0.00 0.00 59.98 59.32 3kxa h ARG 40 Cb 0.60 0.17 -0.01 0.00 0.08 0.00 0.00 29.97 30.81 3kxa h ARG 40 CO 0.04 1.28 0.00 0.00 -1.07 0.00 0.00 179.97 180.22 3kxa h ARG 41 N 0.48 0.37 -0.53 0.04 3.08 -1.81 -2.83 114.38 113.17 3kxa h ARG 41 Ca -0.09 -0.12 0.08 0.00 0.07 0.00 0.00 59.98 59.93 3kxa h ARG 41 Cb 1.53 -0.03 -0.07 0.00 0.08 0.00 0.00 29.97 31.48 3kxa h ARG 41 CO 0.18 0.56 0.16 -0.22 -1.07 0.00 0.00 179.97 179.58 3kxa h LYS 42 N 0.13 0.32 0.17 0.04 3.64 -1.18 -2.13 116.57 117.56 3kxa h LYS 42 Ca 0.06 -0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.42 3kxa h LYS 42 Cb 0.39 -0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 32.13 3kxa h LYS 42 CO 0.01 0.21 -0.11 0.00 -2.27 0.00 0.00 179.45 177.29 3kxa h ALA 43 N 1.37 -0.26 0.00 5.00 0.00 -1.43 0.13 119.26 124.08 3kxa h ALA 43 Ca 0.26 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.12 3kxa h ALA 43 Cb 0.31 0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.24 3kxa h ALA 43 CO -0.29 -0.65 0.00 0.00 0.00 0.00 0.00 179.25 178.31 3kxa n ALA 44 N -2.26 0.52 0.00 0.00 0.00 -0.80 -0.67 120.51 117.29 3kxa n ALA 44 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.36 3kxa n ALA 44 Cb 0.15 -0.43 0.00 0.00 0.00 0.00 0.00 19.45 19.16 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 -0.24 0.00 8.00 0.45 -2.37 116.55 122.43 3kxa n ASP 46 Ca 0.00 0.00 -0.01 0.00 0.71 0.00 0.00 54.79 55.49 3kxa n ASP 46 Cb 0.00 0.00 0.20 0.00 -0.02 0.00 0.00 41.12 41.30 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 1.04 -0.26 -1.24 3.08 -1.16 -0.57 114.38 115.26 3kxa h ARG 47 Ca 0.00 -0.09 -0.02 0.00 0.07 0.00 0.00 59.98 59.94 3kxa h ARG 47 Cb 0.00 -0.22 -0.01 0.00 0.08 0.00 0.00 29.97 29.82 3kxa h ARG 47 CO 0.00 0.73 0.07 0.00 -1.07 0.00 0.00 179.97 179.70 3kxa h ALA 48 N 1.46 0.34 -0.74 0.04 0.00 -1.71 -2.51 119.26 116.14 3kxa h ALA 48 Ca 0.28 -0.16 0.07 0.00 0.00 0.00 0.00 54.91 55.10 3kxa h ALA 48 Cb -0.05 -0.10 -0.06 0.00 0.00 0.00 0.00 17.79 17.58 3kxa h ALA 48 CO -0.05 -0.01 0.42 0.00 0.00 0.00 0.00 179.25 179.61 3kxa h ALA 49 N 0.90 1.01 -0.29 0.00 0.00 -1.68 -1.21 119.26 117.98 3kxa h ALA 49 Ca 0.08 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 3kxa h ALA 49 Cb 0.27 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 3kxa h ALA 49 CO -0.00 0.09 0.13 0.00 0.00 0.00 0.00 179.25 179.47 3kxa h ALA 50 N 1.39 0.38 -0.62 0.00 0.00 -1.07 0.24 119.26 119.58 3kxa h ALA 50 Ca 0.34 -0.11 0.03 0.00 0.00 0.00 0.00 54.91 55.17 3kxa h ALA 50 Cb 0.24 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.87 3kxa h ALA 50 CO -0.20 -0.04 0.38 0.00 0.00 0.00 0.00 179.25 179.38 3kxa h ARG 51 N 0.33 0.72 -0.48 0.00 3.08 -1.09 -1.83 114.38 115.12 3kxa h ARG 51 Ca 0.10 -0.04 -0.11 0.00 0.07 0.00 0.00 59.98 60.00 3kxa h ARG 51 Cb 0.15 -0.16 -0.02 0.00 0.08 0.00 0.00 29.97 30.02 3kxa h ARG 51 CO -0.01 0.48 -0.14 0.82 -1.07 0.00 0.00 179.97 180.04 3kxa h ILE 52 N 0.74 1.27 -0.26 2.04 2.04 -0.96 -2.78 117.51 119.60 3kxa h ILE 52 Ca 0.25 -1.27 0.01 0.00 1.00 0.00 0.00 64.86 64.85 3kxa h ILE 52 Cb 0.03 1.04 -0.01 0.00 -0.74 0.00 0.00 36.82 37.14 3kxa h ILE 52 CO -0.11 0.44 0.18 0.00 0.00 0.00 0.00 178.15 178.66 3kxa h ALA 53 N 1.02 1.84 -0.14 1.87 0.00 0.04 -1.45 119.26 122.43 3kxa h ALA 53 Ca 0.12 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 3kxa h ALA 53 Cb 0.68 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 3kxa h ALA 53 CO 0.05 0.14 0.07 -0.44 0.00 0.00 0.00 179.25 179.07 3kxa h ASP 54 N 0.33 0.19 -0.20 0.00 3.32 -1.07 -0.23 116.42 118.76 3kxa h ASP 54 Ca 0.10 -0.12 -0.02 0.00 0.02 0.00 0.00 57.03 57.01 3kxa h ASP 54 Cb -0.00 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 39.48 3kxa h ASP 54 CO -0.02 0.26 0.08 0.11 -1.72 0.00 0.00 179.24 177.95 3kxa h LYS 55 N 0.11 0.37 -0.08 3.56 1.57 -1.35 -1.53 116.57 119.22 3kxa h LYS 55 Ca 0.05 -0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 58.76 3kxa h LYS 55 Cb 0.12 -0.07 -0.00 0.00 0.08 0.00 0.00 32.23 32.35 3kxa h LYS 55 CO -0.01 0.33 -0.04 0.82 -0.57 0.00 0.00 179.45 179.98 3kxa h ILE 56 N 0.37 1.33 -0.50 1.86 2.04 -0.94 -2.39 117.51 119.28 3kxa h ILE 56 Ca 0.09 -1.08 -0.01 0.00 1.00 0.00 0.00 64.86 64.86 3kxa h ILE 56 Cb 0.12 1.88 -0.02 0.00 -0.74 0.00 0.00 36.82 38.05 3kxa h ILE 56 CO -0.01 0.30 0.25 0.00 0.00 0.00 0.00 178.15 178.70 3kxa h ALA 57 N 0.62 0.64 -0.35 1.87 0.00 -0.58 -0.88 119.26 120.58 3kxa h ALA 57 Ca 0.02 -0.11 -0.06 0.00 0.00 0.00 0.00 54.91 54.76 3kxa h ALA 57 Cb 0.50 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 3kxa h ALA 57 CO 0.01 0.18 -0.01 1.25 0.00 0.00 0.00 179.25 180.69 3kxa h LEU 58 N 0.66 0.62 -1.26 0.00 6.46 -1.39 -1.30 115.31 119.09 3kxa h LEU 58 Ca 0.17 -0.32 -0.05 0.00 -0.12 0.00 0.00 57.88 57.57 3kxa h LEU 58 Cb 0.09 -0.17 -0.02 0.00 -0.73 0.00 0.00 40.66 39.84 3kxa h LEU 58 CO -0.02 0.78 0.01 0.50 -0.62 0.00 0.00 178.44 179.09 3kxa h LYS 59 N 0.43 0.51 -0.02 1.25 1.63 -1.26 -3.31 116.57 115.81 3kxa h LYS 59 Ca 0.10 -0.10 0.00 0.00 -0.85 0.00 0.00 60.65 59.79 3kxa h LYS 59 Cb 0.47 -0.08 0.00 0.00 -0.60 0.00 0.00 32.23 32.03 3kxa h LYS 59 CO 0.02 0.53 -0.36 0.00 -3.45 0.00 0.00 179.45 176.20 3kxa n ALA 60 N -2.48 3.27 0.00 5.00 0.00 -0.35 -4.97 120.51 120.99 3kxa n ALA 60 Ca 0.01 -0.63 0.00 0.00 0.00 0.00 0.00 53.44 52.82 3kxa n ALA 60 Cb 0.24 -0.74 0.00 0.00 0.00 0.00 0.00 19.45 18.95 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 1.33 2.06 0.00 0.00 0.00 -0.99 -4.92 105.19 102.67 3kxa n GLY 61 Ca 0.09 -0.36 0.00 0.00 0.00 0.00 0.00 46.02 45.76 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 -1.17 3.69 -0.02 0.00 -0.53 -4.95 105.19 102.22 3kxa n GLY 62 Ca 0.00 -0.90 -0.42 0.00 0.00 0.00 0.00 46.02 44.70 3kxa n GLY 62 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3kxa s GLU 63 N -0.62 4.13 0.50 1.61 2.56 -1.26 -4.39 118.70 121.23 3kxa s GLU 63 Ca 0.00 2.62 0.08 0.00 0.00 0.00 0.00 54.97 57.67 3kxa s GLU 63 Cb 0.00 -3.63 0.05 0.00 2.00 0.00 0.00 34.13 32.55 3kxa s GLU 63 CO 0.00 -0.86 0.69 0.95 -0.56 0.00 0.00 175.26 175.48 3kxa s THR 64 N 2.84 2.61 0.16 -1.70 -4.23 -1.26 -4.26 115.64 109.80 3kxa s THR 64 Ca 0.82 -0.96 -0.13 0.00 -1.18 0.00 0.00 61.69 60.24 3kxa s THR 64 Cb -0.46 -2.65 0.05 0.00 1.34 0.00 0.00 72.50 70.78 3kxa s THR 64 CO 0.37 0.00 1.71 0.15 -0.54 0.00 0.00 174.62 176.31 3kxa h PHE 65 N 0.37 0.83 0.01 3.99 3.57 -1.88 -1.47 116.94 122.35 3kxa h PHE 65 Ca -0.36 -0.07 -0.00 0.00 3.53 0.00 0.00 57.97 61.07 3kxa h PHE 65 Cb 1.28 -0.25 0.00 0.00 2.79 0.00 0.00 35.95 39.78 3kxa h PHE 65 CO 0.38 0.68 -0.00 0.28 -2.23 0.00 0.00 178.31 177.42 3kxa h VAL 66 N 0.73 1.13 -0.53 1.41 2.07 -1.93 -2.00 116.25 117.12 3kxa h VAL 66 Ca 0.18 -0.40 0.07 0.00 0.82 0.00 0.00 66.70 67.36 3kxa h VAL 66 Cb 0.21 1.40 -0.09 0.00 -1.52 0.00 0.00 31.29 31.28 3kxa h VAL 66 CO -0.01 0.10 -0.53 -1.28 0.02 0.00 0.00 177.57 175.87 3kxa h SER 67 N -0.18 -1.80 -0.32 0.57 0.87 -1.85 -1.77 113.55 109.07 3kxa h SER 67 Ca -0.00 0.26 0.06 0.00 -1.23 0.00 0.00 61.79 60.87 3kxa h SER 67 Cb 0.18 0.77 -0.05 0.00 -0.44 0.00 0.00 62.40 62.85 3kxa h SER 67 CO 0.00 -0.36 0.00 0.25 -0.53 0.00 0.00 176.83 176.19 3kxa h LEU 68 N -0.30 -0.13 -1.07 2.23 5.85 -1.24 -1.65 115.31 119.01 3kxa h LEU 68 Ca 0.11 0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.91 3kxa h LEU 68 Cb 0.57 0.13 0.00 0.00 0.37 0.00 0.00 40.66 41.72 3kxa h LEU 68 CO -0.67 -0.03 0.00 -1.14 -0.34 0.00 0.00 178.44 176.27 3kxa n ARG 69 N -5.17 0.00 0.00 1.25 0.63 -0.67 -2.44 116.66 110.27 3kxa n ARG 69 Ca 0.01 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.94 3kxa n ARG 69 Cb 0.17 -0.85 0.00 0.00 0.45 0.00 0.00 32.46 32.22 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 0.36 0.00 0.00 -0.14 5.02 -0.62 -2.27 118.16 120.51 3kxa n LYS 71 Ca 0.00 0.00 0.14 0.00 -2.02 0.00 0.00 58.31 56.43 3kxa n LYS 71 Cb 0.00 0.00 0.62 0.00 -0.02 0.00 0.00 35.03 35.63 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 1.18 -2.22 1.97 4.76 -1.02 -4.94 118.16 117.89 3kxa n LYS 72 Ca 0.00 -0.52 -0.03 0.00 -2.87 0.00 0.00 58.31 54.89 3kxa n LYS 72 Cb 0.00 -1.49 0.00 0.00 -1.84 0.00 0.00 35.03 31.70 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 1.18 0.38 3.40 0.72 0.00 -1.18 -5.05 105.19 104.63 3kxa n GLY 73 Ca 0.18 -0.70 -0.36 0.00 0.00 0.00 0.00 46.02 45.15 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 -2.40 3.03 0.59 1.61 0.40 -0.96 -5.02 117.98 115.22 3kxa s PHE 74 Ca 0.02 -0.62 -0.18 0.00 -0.60 0.00 0.00 56.93 55.56 3kxa s PHE 74 Cb -0.01 -2.15 -0.03 0.00 0.51 0.00 0.00 43.02 41.34 3kxa s PHE 74 CO 0.03 -0.40 1.15 0.95 0.70 0.00 0.00 175.22 177.65 3kxa s THR 75 N 1.40 3.02 0.37 0.64 -4.23 -1.26 -4.79 115.64 110.79 3kxa s THR 75 Ca 0.05 0.58 0.17 0.00 -1.18 0.00 0.00 61.69 61.32 3kxa s THR 75 Cb -0.15 -3.18 0.37 0.00 1.34 0.00 0.00 72.50 70.89 3kxa s THR 75 CO 0.01 -0.18 1.71 -0.61 -0.54 0.00 0.00 174.62 175.01 3kxa h GLN 76 N 0.76 0.37 -0.30 3.99 4.15 -1.99 0.63 115.11 122.73 3kxa h GLN 76 Ca -0.49 -0.02 -0.03 0.00 0.77 0.00 0.00 58.65 58.88 3kxa h GLN 76 Cb 1.27 -0.08 -0.01 0.00 0.21 0.00 0.00 27.48 28.86 3kxa h GLN 76 CO 0.55 0.24 0.08 1.03 -1.93 0.00 0.00 178.83 178.80 3kxa h SER 77 N 0.38 0.44 -0.14 -0.69 0.87 -1.97 -1.59 113.55 110.86 3kxa h SER 77 Ca 0.67 -0.22 -0.02 0.00 -1.23 0.00 0.00 61.79 60.99 3kxa h SER 77 Cb 1.64 -0.12 -0.01 0.00 -0.44 0.00 0.00 62.40 63.48 3kxa h SER 77 CO -0.43 0.55 0.02 -0.33 -0.53 0.00 0.00 176.83 176.11 3kxa h GLU 78 N 0.32 0.23 -0.74 2.24 5.08 -1.31 -2.03 114.58 118.36 3kxa h GLU 78 Ca 0.09 -0.06 0.01 0.00 -1.00 0.00 0.00 59.36 58.40 3kxa h GLU 78 Cb 0.28 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.46 3kxa h GLU 78 CO -0.00 0.42 0.49 1.25 -1.00 0.00 0.00 179.01 180.17 3kxa h LEU 79 N 0.00 0.85 -0.87 1.33 5.85 -1.12 -0.24 115.31 121.11 3kxa h LEU 79 Ca 0.04 -0.02 0.03 0.00 0.84 0.00 0.00 57.88 58.77 3kxa h LEU 79 Cb 0.30 -0.21 -0.05 0.00 0.37 0.00 0.00 40.66 41.07 3kxa h LEU 79 CO 0.00 0.61 0.56 0.00 -0.34 0.00 0.00 178.44 179.27 3kxa h ALA 80 N 1.27 1.14 -0.13 1.25 0.00 -1.13 -0.70 119.26 120.97 3kxa h ALA 80 Ca 0.27 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 55.11 3kxa h ALA 80 Cb -0.11 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.37 3kxa h ALA 80 CO -0.06 0.40 -0.06 1.15 0.00 0.00 0.00 179.25 180.69 3kxa h THR 81 N 1.09 1.31 -0.48 0.00 2.02 -1.04 -0.98 112.91 114.82 3kxa h THR 81 Ca 0.35 -1.08 0.04 0.00 0.77 0.00 0.00 66.41 66.49 3kxa h THR 81 Cb 0.00 1.76 -0.03 0.00 -1.74 0.00 0.00 68.15 68.15 3kxa h THR 81 CO -0.12 0.31 0.32 0.00 0.37 0.00 0.00 175.52 176.41 3kxa h ALA 82 N 0.66 1.84 -0.70 6.16 0.00 -0.79 -3.04 119.26 123.39 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 0.52 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.18 3kxa h ALA 82 CO 0.02 0.09 0.00 0.00 0.00 0.00 0.00 179.25 179.36 3kxa n ALA 83 N -2.49 2.37 -2.84 0.00 0.00 -0.29 -4.72 120.51 112.53 3kxa n ALA 83 Ca 0.06 -1.27 -0.22 0.00 0.00 0.00 0.00 53.44 52.01 3kxa n ALA 83 Cb 0.19 -0.91 0.02 0.00 0.00 0.00 0.00 19.45 18.76 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 1.61 -0.49 3.53 0.00 0.00 -1.11 -4.76 105.19 103.97 3kxa n GLY 84 Ca 0.24 0.08 -0.25 0.00 0.00 0.00 0.00 46.02 46.08 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 -6.37 2.83 0.24 0.99 1.43 -0.39 -5.06 118.68 112.34 3kxa s LEU 85 Ca 0.22 -0.74 -0.30 0.00 -1.03 0.00 0.00 54.13 52.28 3kxa s LEU 85 Cb -0.10 -1.45 -0.09 0.00 0.03 0.00 0.00 46.19 44.58 3kxa s LEU 85 CO 0.27 0.07 0.95 -2.84 0.23 0.00 0.00 176.35 175.04 3kxa s PRO 86 N -3.10 4.85 0.20 1.29 0.02 -1.26 -4.34 135.00 132.66 3kxa s PRO 86 Ca 0.26 1.50 -0.10 0.00 0.02 0.00 0.00 61.00 62.69 3kxa s PRO 86 Cb -0.07 -3.28 0.14 0.00 0.02 0.00 0.00 34.50 31.31 3kxa s PRO 86 CO 0.15 0.50 1.80 0.37 -0.33 0.00 0.00 177.00 179.49 3kxa h GLN 87 N 4.16 1.06 -0.63 5.54 4.15 -1.92 -1.14 115.11 126.34 3kxa h GLN 87 Ca -0.45 -0.15 0.12 0.00 0.77 0.00 0.00 58.65 58.95 3kxa h GLN 87 Cb 1.20 -0.20 -0.09 0.00 0.21 0.00 0.00 27.48 28.60 3kxa h GLN 87 CO 0.68 0.82 0.11 -1.35 -1.93 0.00 0.00 178.83 177.15 3kxa h PRO 88 N 1.04 0.22 -0.77 -2.39 0.11 -1.98 0.21 132.00 128.43 3kxa h PRO 88 Ca 0.26 -0.01 -0.05 0.00 0.11 0.00 0.00 66.00 66.30 3kxa h PRO 88 Cb 0.09 -0.05 -0.03 0.00 0.11 0.00 0.00 31.00 31.12 3kxa h PRO 88 CO -0.04 0.14 0.27 -0.92 -0.21 0.00 0.00 178.00 177.25 3kxa h TYR 89 N 0.23 1.21 -0.59 0.65 3.20 -1.76 -2.39 116.97 117.52 3kxa h TYR 89 Ca 0.33 -0.11 -0.03 0.00 3.14 0.00 0.00 58.73 62.07 3kxa h TYR 89 Cb 0.52 -0.35 -0.03 0.00 1.54 0.00 0.00 36.73 38.41 3kxa h TYR 89 CO -0.28 0.94 0.25 1.25 -1.64 0.00 0.00 178.16 178.68 3kxa h LEU 90 N 1.13 0.80 -0.82 2.82 5.85 -0.68 -1.16 115.31 123.26 3kxa h LEU 90 Ca 0.25 -0.16 0.09 0.00 0.84 0.00 0.00 57.88 58.91 3kxa h LEU 90 Cb 0.27 -0.21 -0.07 0.00 0.37 0.00 0.00 40.66 41.02 3kxa h LEU 90 CO -0.01 0.73 0.47 -1.28 -0.34 0.00 0.00 178.44 178.00 3kxa h SER 91 N 0.81 0.67 -0.54 1.25 0.87 -0.43 -0.97 113.55 115.21 3kxa h SER 91 Ca 0.20 0.05 -0.07 0.00 -1.23 0.00 0.00 61.79 60.74 3kxa h SER 91 Cb 0.17 -0.08 -0.02 0.00 -0.44 0.00 0.00 62.40 62.02 3kxa h SER 91 CO -0.02 0.39 0.08 0.03 -0.53 0.00 0.00 176.83 176.78 3kxa h ARG 92 N 0.79 0.94 -0.86 2.24 3.08 -0.91 -1.92 114.38 117.74 3kxa h ARG 92 Ca 0.39 -0.24 -0.02 0.00 0.07 0.00 0.00 59.98 60.19 3kxa h ARG 92 Cb 0.35 -0.12 -0.04 0.00 0.08 0.00 0.00 29.97 30.24 3kxa h ARG 92 CO -0.24 0.88 0.47 0.82 -1.07 0.00 0.00 179.97 180.82 3kxa h ILE 93 N 0.89 1.25 0.00 2.04 2.04 -0.20 0.29 117.51 123.81 3kxa h ILE 93 Ca 0.18 -0.63 -0.07 0.00 1.00 0.00 0.00 64.86 65.34 3kxa h ILE 93 Cb 0.41 0.09 -0.01 0.00 -0.74 0.00 0.00 36.82 36.57 3kxa h ILE 93 CO 0.01 0.28 -0.34 -0.33 0.00 0.00 0.00 178.15 177.78 3kxa h GLU 94 N 1.21 0.00 0.00 2.37 5.08 -0.93 -3.42 114.58 118.89 3kxa h GLU 94 Ca 0.30 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.66 3kxa h GLU 94 Cb 0.04 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.29 3kxa h GLU 94 CO -0.05 0.34 -0.72 0.09 -1.00 0.00 0.00 179.01 177.67 3kxa n ASN 95 N -3.36 1.36 -0.10 1.42 3.02 -0.75 -4.78 115.26 112.07 3kxa n ASN 95 Ca 0.01 0.00 -0.16 0.00 -0.03 0.00 0.00 54.58 54.40 3kxa n ASN 95 Cb 0.55 0.00 -0.08 0.00 -0.61 0.00 0.00 39.78 39.64 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 -2.56 2.13 -4.76 6.41 7.64 0.30 -5.06 113.62 117.72 3kxa n SER 96 Ca 0.00 0.03 -0.39 0.00 1.01 0.00 0.00 58.87 59.52 3kxa n SER 96 Cb 0.36 -0.40 0.02 0.00 -1.01 0.00 0.00 64.21 63.18 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 -2.37 3.48 -0.10 1.43 1.02 0.75 -4.99 119.74 118.95 3kxa s LYS 97 Ca -0.26 2.24 0.13 0.00 0.02 0.00 0.00 55.97 58.10 3kxa s LYS 97 Cb 0.08 -2.46 -0.24 0.00 -0.52 0.00 0.00 37.83 34.69 3kxa s LYS 97 CO 0.40 -0.92 0.45 1.04 -0.92 0.00 0.00 175.35 175.40 3kxa n GLN 98 N -0.57 0.66 -4.09 1.68 6.02 -1.26 -4.98 117.38 114.84 3kxa n GLN 98 Ca 0.08 0.20 -0.10 0.00 -0.01 0.00 0.00 57.00 57.16 3kxa n GLN 98 Cb 0.44 -1.70 -0.07 0.00 1.02 0.00 0.00 30.24 29.92 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 -5.97 0.02 -0.05 1.08 1.04 -1.26 -5.08 113.70 103.49 3kxa s SER 99 Ca -0.08 -1.13 0.06 0.00 0.48 0.00 0.00 55.95 55.28 3kxa s SER 99 Cb 0.07 0.49 -0.01 0.00 0.10 0.00 0.00 66.02 66.68 3kxa s SER 99 CO 0.82 -1.00 -0.24 -0.76 0.98 0.00 0.00 173.24 173.03 3kxa s LEU 100 N -3.08 2.05 0.60 2.42 1.43 -1.26 -5.08 118.68 115.76 3kxa s LEU 100 Ca 0.30 -0.48 -0.18 0.00 -1.03 0.00 0.00 54.13 52.74 3kxa s LEU 100 Cb 0.03 -1.31 -0.03 0.00 0.03 0.00 0.00 46.19 44.91 3kxa s LEU 100 CO 0.10 0.25 1.18 -1.10 0.23 0.00 0.00 176.35 177.00 3kxa s GLN 101 N -0.22 2.98 0.20 1.70 -0.21 -1.26 -4.90 119.66 117.95 3kxa s GLN 101 Ca -0.01 1.71 -0.10 0.00 0.02 0.00 0.00 55.36 56.98 3kxa s GLN 101 Cb -0.13 -1.94 0.23 0.00 1.00 0.00 0.00 33.01 32.17 3kxa s GLN 101 CO 0.03 -1.17 1.80 0.22 -2.12 0.00 0.00 175.29 174.04 3kxa h ASP 102 N 0.76 0.49 -0.95 5.90 -0.00 -2.00 -2.15 116.42 118.47 3kxa h ASP 102 Ca -0.50 0.03 0.15 0.00 -0.00 0.00 0.00 57.03 56.72 3kxa h ASP 102 Cb 1.28 -0.06 -0.08 0.00 -0.00 0.00 0.00 39.33 40.47 3kxa h ASP 102 CO 0.55 0.32 0.60 0.50 -0.00 0.00 0.00 179.24 181.21 3kxa h LYS 103 N 0.63 0.75 -0.10 0.28 3.64 -2.00 -2.18 116.57 117.59 3kxa h LYS 103 Ca 0.29 -0.05 -0.07 0.00 -1.27 0.00 0.00 60.65 59.55 3kxa h LYS 103 Cb 0.19 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 31.84 3kxa h LYS 103 CO -0.19 0.50 -0.20 1.15 -2.27 0.00 0.00 179.45 178.44 3kxa h THR 104 N 0.77 1.39 -0.86 1.00 2.02 -1.78 -1.99 112.91 113.47 3kxa h THR 104 Ca 0.49 -1.50 0.17 0.00 0.77 0.00 0.00 66.41 66.34 3kxa h THR 104 Cb 0.73 2.13 -0.10 0.00 -1.74 0.00 0.00 68.15 69.17 3kxa h THR 104 CO -0.26 0.43 0.42 0.58 0.37 0.00 0.00 175.52 177.06 3kxa h VAL 105 N -0.14 0.65 -0.03 3.16 2.07 -1.03 0.54 116.25 121.48 3kxa h VAL 105 Ca 0.00 -0.19 -0.01 0.00 0.82 0.00 0.00 66.70 67.32 3kxa h VAL 105 Cb 0.79 0.06 -0.00 0.00 -1.52 0.00 0.00 31.29 30.62 3kxa h VAL 105 CO 0.05 0.10 -0.03 1.56 0.02 0.00 0.00 177.57 179.27 3kxa h GLN 106 N 0.55 0.07 -0.68 1.57 4.20 -1.36 0.25 115.11 119.71 3kxa h GLN 106 Ca 0.49 -0.04 0.13 0.00 0.06 0.00 0.00 58.65 59.29 3kxa h GLN 106 Cb 0.77 0.00 -0.10 0.00 0.30 0.00 0.00 27.48 28.45 3kxa h GLN 106 CO -0.41 0.54 0.18 0.87 -0.67 0.00 0.00 178.83 179.33 3kxa h LYS 107 N -0.39 0.29 -0.27 1.46 1.57 -0.80 -0.51 116.57 117.92 3kxa h LYS 107 Ca 0.00 -0.02 -0.12 0.00 -1.87 0.00 0.00 60.65 58.65 3kxa h LYS 107 Cb 0.52 -0.07 -0.00 0.00 0.08 0.00 0.00 32.23 32.77 3kxa h LYS 107 CO 0.01 0.19 -0.28 -0.07 -0.57 0.00 0.00 179.45 178.73 3kxa h LEU 108 N 0.30 0.72 -0.51 2.94 3.38 -0.82 -1.97 115.31 119.35 3kxa h LEU 108 Ca 0.37 -0.48 0.05 0.00 0.09 0.00 0.00 57.88 57.91 3kxa h LEU 108 Cb 0.58 -0.20 -0.05 0.00 0.09 0.00 0.00 40.66 41.08 3kxa h LEU 108 CO -0.44 1.05 0.26 0.00 0.09 0.00 0.00 178.44 179.39 3kxa h ALA 109 N 0.69 0.65 -0.12 1.53 0.00 0.09 -1.77 119.26 120.34 3kxa h ALA 109 Ca 0.04 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 3kxa h ALA 109 Cb 0.85 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.57 3kxa h ALA 109 CO 0.07 -0.09 0.06 -0.91 0.00 0.00 0.00 179.25 178.37 3kxa h ASN 110 N 0.50 0.16 -0.53 0.00 2.35 -1.08 0.48 115.58 117.46 3kxa h ASN 110 Ca 0.23 -0.13 0.08 0.00 -0.55 0.00 0.00 56.30 55.93 3kxa h ASN 110 Cb 0.14 -0.04 -0.06 0.00 0.05 0.00 0.00 38.32 38.41 3kxa h ASN 110 CO -0.16 0.24 0.18 0.00 -1.65 0.00 0.00 177.43 176.04 3kxa h ALA 111 N 0.92 0.65 0.00 -0.83 0.00 -1.01 -2.08 119.26 116.92 3kxa h ALA 111 Ca 0.04 0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.02 3kxa h ALA 111 Cb 0.12 0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.96 3kxa h ALA 111 CO -0.00 -0.21 -0.36 1.28 0.00 0.00 0.00 179.25 179.96 3kxa n LEU 112 N -5.01 0.43 -3.42 0.00 4.77 -0.70 -4.98 117.00 108.10 3kxa n LEU 112 Ca 0.06 0.22 -0.17 0.00 -0.03 0.00 0.00 56.01 56.10 3kxa n LEU 112 Cb 0.22 -0.31 0.09 0.00 -2.33 0.00 0.00 43.42 41.09 3kxa n LEU 112 CO 0.24 0.03 0.11 0.61 -1.33 0.00 0.00 177.39 177.05 3kxa n GLY 113 N 1.45 -0.36 3.27 -0.72 0.00 0.16 -5.04 105.19 103.96 3kxa n GLY 113 Ca 0.05 0.10 -0.14 0.00 0.00 0.00 0.00 46.02 46.03 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 -3.36 0.46 0.69 1.61 -7.23 -0.57 -5.03 120.40 106.97 3kxa s VAL 114 Ca 0.00 -1.99 -0.14 0.00 -1.81 0.00 0.00 61.98 58.05 3kxa s VAL 114 Cb -0.00 -2.44 0.01 0.00 0.56 0.00 0.00 36.38 34.51 3kxa s VAL 114 CO 0.73 -0.15 1.10 -0.94 -0.31 0.00 0.00 175.10 175.53 3kxa s SER 115 N -3.23 4.95 0.25 4.85 1.04 -1.26 -4.49 113.70 115.80 3kxa s SER 115 Ca 0.34 1.95 -0.04 0.00 0.48 0.00 0.00 55.95 58.67 3kxa s SER 115 Cb 0.07 -2.54 0.48 0.00 0.10 0.00 0.00 66.02 64.13 3kxa s SER 115 CO 0.10 -1.73 1.68 -0.65 0.98 0.00 0.00 173.24 173.62 3kxa h PRO 116 N -0.28 0.27 -0.59 4.02 0.11 -1.94 -2.50 132.00 131.08 3kxa h PRO 116 Ca -0.46 -0.02 0.07 0.00 0.11 0.00 0.00 66.00 65.70 3kxa h PRO 116 Cb 1.24 -0.06 -0.06 0.00 0.11 0.00 0.00 31.00 32.23 3kxa h PRO 116 CO 0.53 0.18 0.28 1.25 -0.21 0.00 0.00 178.00 180.03 3kxa h LEU 117 N 0.27 0.37 0.42 2.35 5.85 -1.98 0.14 115.31 122.73 3kxa h LEU 117 Ca 0.43 0.05 -0.01 0.00 0.84 0.00 0.00 57.88 59.18 3kxa h LEU 117 Cb 0.73 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.74 3kxa h LEU 117 CO -0.52 0.24 -0.30 -0.33 -0.34 0.00 0.00 178.44 177.19 3kxa h GLU 118 N 0.52 -0.68 -0.17 1.25 5.08 -1.83 0.49 114.58 119.23 3kxa h GLU 118 Ca 0.28 0.05 0.05 0.00 -1.00 0.00 0.00 59.36 58.74 3kxa h GLU 118 Cb 0.25 0.15 -0.07 0.00 0.50 0.00 0.00 28.75 29.59 3kxa h GLU 118 CO -0.22 -0.45 -0.35 0.28 -1.00 0.00 0.00 179.01 177.26 3kxa h VAL 119 N -0.70 0.23 -0.62 3.13 2.07 -1.11 0.07 116.25 119.32 3kxa h VAL 119 Ca -0.04 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.50 3kxa h VAL 119 Cb 0.60 0.23 -0.04 0.00 -1.52 0.00 0.00 31.29 30.56 3kxa h VAL 119 CO 0.01 0.00 0.39 0.03 0.02 0.00 0.00 177.57 178.03 3kxa h ARG 120 N -0.41 0.76 -0.60 1.57 3.08 -0.61 -1.36 114.38 116.80 3kxa h ARG 120 Ca 0.10 -0.05 -0.02 0.00 0.07 0.00 0.00 59.98 60.08 3kxa h ARG 120 Cb 0.57 -0.17 -0.03 0.00 0.08 0.00 0.00 29.97 30.42 3kxa h ARG 120 CO -0.40 0.50 0.28 0.00 -1.07 0.00 0.00 179.97 179.29 3kxa h ALA 121 N 1.25 1.37 0.29 0.04 0.00 0.41 -1.36 119.26 121.27 3kxa h ALA 121 Ca 0.24 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 3kxa h ALA 121 Cb -0.02 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.53 3kxa h ALA 121 CO -0.08 0.49 -0.14 0.00 0.00 0.00 0.00 179.25 179.52 3kxa h ALA 122 N 1.47 -0.40 -0.64 0.00 0.00 -0.59 -3.17 119.26 115.93 3kxa h ALA 122 Ca 0.21 -0.17 0.14 0.00 0.00 0.00 0.00 54.91 55.08 3kxa h ALA 122 Cb 0.09 0.15 -0.11 0.00 0.00 0.00 0.00 17.79 17.93 3kxa h ALA 122 CO -0.03 -0.58 -0.02 0.35 0.00 0.00 0.00 179.25 178.98 3kxa h PHE 123 N -0.69 -0.08 0.00 0.00 3.57 -1.04 -1.47 116.94 117.22 3kxa h PHE 123 Ca -0.04 0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.51 3kxa h PHE 123 Cb 0.48 0.14 0.00 0.00 2.79 0.00 0.00 35.95 39.35 3kxa h PHE 123 CO 0.02 -0.19 0.00 0.39 -2.23 0.00 0.00 178.31 176.29 3kxa n GLU 124 N -5.31 0.10 0.00 1.11 -0.58 -0.53 -2.62 120.64 112.81 3kxa n GLU 124 Ca 0.10 0.23 0.12 0.00 -0.42 0.00 0.00 57.16 57.19 3kxa n GLU 124 Cb 0.37 -1.50 0.58 0.00 -0.57 0.00 0.00 31.44 30.32 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 -1.36 0.20 0.00 3.49 3.00 -0.56 -2.34 116.66 119.10 3kxa n ARG 125 Ca 0.04 0.07 0.12 0.00 -0.00 0.00 0.00 57.85 58.08 3kxa n ARG 125 Cb 0.09 -1.50 0.71 0.00 0.00 0.00 0.00 32.46 31.76 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 -1.38 0.69 -4.01 -0.14 1.85 -1.08 -4.83 116.66 107.77 3kxa n ARG 126 Ca 0.09 0.01 -0.25 0.00 -1.00 0.00 0.00 57.85 56.71 3kxa n ARG 126 Cb 0.23 -1.50 -0.05 0.00 -1.05 0.00 0.00 32.46 30.09 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 -2.11 2.44 -0.33 2.89 1.51 -0.99 -5.11 117.35 115.65 3kxa s TYR 127 Ca 0.34 -0.63 0.02 0.00 -1.01 0.00 0.00 57.07 55.80 3kxa s TYR 127 Cb 0.17 -1.98 0.10 0.00 -0.11 0.00 0.00 41.96 40.14 3kxa s TYR 127 CO 0.30 0.02 0.07 -2.00 -1.11 0.00 0.00 175.55 172.83 3kxa s GLU 128 N -4.01 1.22 0.00 -0.62 2.56 -1.26 -5.10 118.70 111.49 3kxa s GLU 128 Ca 0.40 -1.61 0.00 0.00 0.00 0.00 0.00 54.97 53.76 3kxa s GLU 128 Cb 0.01 -2.79 0.00 0.00 2.00 0.00 0.00 34.13 33.35 3kxa s GLU 128 CO 0.22 -0.96 0.00 0.66 -0.56 0.00 0.00 175.26 174.63 3kxa n TYR 129 N 4.45 0.00 -0.07 5.30 4.02 -1.26 -5.25 117.16 124.35 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