#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kxa n PRO 2 N 0.00 1.01 -5.13 0.38 -0.04 -1.26 -5.14 135.00 124.83 3kxa n PRO 2 Ca 0.00 -0.89 -0.32 0.00 -0.04 0.00 0.00 63.50 62.25 3kxa n PRO 2 Cb 0.00 -0.01 -0.16 0.00 -0.04 0.00 0.00 33.50 33.29 3kxa n PRO 2 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 3kxa s VAL 3 N -0.23 2.38 -0.16 0.52 -7.23 -1.26 -5.13 120.40 109.29 3kxa s VAL 3 Ca 0.14 -0.95 0.01 0.00 -1.81 0.00 0.00 61.98 59.37 3kxa s VAL 3 Cb -0.01 -1.90 0.02 0.00 0.56 0.00 0.00 36.38 35.05 3kxa s VAL 3 CO 0.09 0.57 -0.16 0.42 -0.31 0.00 0.00 175.10 175.71 3kxa s THR 4 N -0.18 1.72 0.01 5.32 -4.23 -1.26 -5.12 115.64 111.90 3kxa s THR 4 Ca -0.02 -0.73 -0.28 0.00 -1.18 0.00 0.00 61.69 59.48 3kxa s THR 4 Cb -0.14 -1.59 -0.04 0.00 1.34 0.00 0.00 72.50 72.08 3kxa s THR 4 CO 0.03 0.48 0.90 -1.00 -0.54 0.00 0.00 174.62 174.50 3kxa s HIS 5 N 1.40 3.67 0.00 3.99 3.76 -1.26 -5.06 115.29 121.80 3kxa s HIS 5 Ca 0.04 1.60 0.07 0.00 -0.15 0.00 0.00 55.06 56.62 3kxa s HIS 5 Cb -0.13 -3.02 -0.03 0.00 1.11 0.00 0.00 32.58 30.52 3kxa s HIS 5 CO -0.11 0.07 -0.20 0.96 -0.85 0.00 0.00 174.74 174.61 3kxa s ILE 6 N 0.71 2.58 -0.04 0.60 -4.36 -1.26 -5.12 121.20 114.32 3kxa s ILE 6 Ca 0.47 -1.08 -0.29 0.00 -0.26 0.00 0.00 60.65 59.49 3kxa s ILE 6 Cb -0.21 -2.02 -0.02 0.00 1.25 0.00 0.00 42.46 41.46 3kxa s ILE 6 CO 0.26 0.46 0.96 -0.75 0.24 0.00 0.00 174.94 176.12 3kxa s LYS 7 N -1.03 4.50 0.11 0.37 2.20 -1.26 -5.05 119.74 119.57 3kxa s LYS 7 Ca 0.12 1.36 0.07 0.00 -0.36 0.00 0.00 55.97 57.17 3kxa s LYS 7 Cb -0.10 -3.49 -0.04 0.00 -1.51 0.00 0.00 37.83 32.69 3kxa s LYS 7 CO 0.02 -0.14 -0.18 0.00 -0.36 0.00 0.00 175.35 174.69 3kxa s LEU 9 N -2.07 4.07 -0.32 0.00 2.96 -0.25 -4.96 118.68 118.11 3kxa s LEU 9 Ca 0.07 0.44 -0.11 0.00 -0.22 0.00 0.00 54.13 54.31 3kxa s LEU 9 Cb -0.09 -2.61 -0.01 0.00 0.50 0.00 0.00 46.19 43.98 3kxa s LEU 9 CO 0.04 -0.28 0.18 -0.60 -1.32 0.00 0.00 176.35 174.37 3kxa s ARG 10 N 2.27 3.38 -0.39 1.98 3.52 -1.26 -0.05 118.95 128.39 3kxa s ARG 10 Ca 0.20 -0.70 0.01 0.00 -0.13 0.00 0.00 55.73 55.10 3kxa s ARG 10 Cb -0.16 -3.64 0.13 0.00 -1.56 0.00 0.00 34.95 29.72 3kxa s ARG 10 CO 0.10 -0.43 0.20 -1.50 -0.81 0.00 0.00 175.30 172.86 3kxa s ILE 11 N 1.65 1.07 -0.70 4.11 2.07 -0.26 -4.92 121.20 124.21 3kxa s ILE 11 Ca 0.05 -2.14 -0.03 0.00 -1.41 0.00 0.00 60.65 57.11 3kxa s ILE 11 Cb -0.17 -1.76 0.00 0.00 0.13 0.00 0.00 42.46 40.66 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 -7.33 -1.45 4.50 2.85 -1.26 -3.59 115.26 112.91 3kxa n ASN 12 Ca 0.07 -0.12 -0.14 0.00 -0.11 0.00 0.00 54.58 54.28 3kxa n ASN 12 Cb 0.37 -4.69 -0.03 0.00 1.24 0.00 0.00 39.78 36.67 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 -1.50 0.36 3.22 8.20 0.00 -1.26 -4.99 105.19 109.22 3kxa n GLY 13 Ca -0.03 -0.31 -0.11 0.00 0.00 0.00 0.00 46.02 45.56 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 -4.20 0.36 -0.16 1.61 0.74 -1.24 -5.15 119.66 111.62 3kxa s GLN 14 Ca 0.00 0.67 -0.06 0.00 0.05 0.00 0.00 55.36 56.03 3kxa s GLN 14 Cb 0.00 0.00 -0.04 0.00 1.10 0.00 0.00 33.01 34.07 3kxa s GLN 14 CO 0.00 -0.14 0.04 0.42 -0.55 0.00 0.00 175.29 175.06 3kxa s ILE 15 N 1.12 4.59 -0.28 -2.34 1.01 -1.26 -1.10 121.20 122.95 3kxa s ILE 15 Ca -0.08 -0.11 0.02 0.00 0.00 0.00 0.00 60.65 60.48 3kxa s ILE 15 Cb -0.08 -3.04 0.08 0.00 0.01 0.00 0.00 42.46 39.43 3kxa s ILE 15 CO -0.09 0.50 -0.02 -0.75 0.00 0.00 0.00 174.94 174.58 3kxa s LYS 16 N 0.10 1.62 -0.16 2.79 2.20 0.93 -4.96 119.74 122.26 3kxa s LYS 16 Ca 0.04 -1.33 0.07 0.00 -0.36 0.00 0.00 55.97 54.39 3kxa s LYS 16 Cb -0.12 -2.76 -0.15 0.00 -1.51 0.00 0.00 37.83 33.29 3kxa s LYS 16 CO 0.01 -0.73 -0.06 0.00 -0.36 0.00 0.00 175.35 174.21 3kxa s VAL 18 N -2.36 4.87 -0.56 0.00 1.01 -1.26 -4.89 120.40 117.20 3kxa s VAL 18 Ca -0.16 1.81 -0.08 0.00 0.00 0.00 0.00 61.98 63.55 3kxa s VAL 18 Cb 0.05 -4.21 0.15 0.00 0.00 0.00 0.00 36.38 32.37 3kxa s VAL 18 CO 0.50 0.08 0.43 -1.59 0.00 0.00 0.00 175.10 174.51 3kxa s LYS 19 N 1.70 2.63 -0.48 2.72 -2.85 -1.26 -5.06 119.74 117.14 3kxa s LYS 19 Ca 0.44 -2.10 -0.26 0.00 -1.00 0.00 0.00 55.97 53.05 3kxa s LYS 19 Cb -0.18 -3.92 0.03 0.00 -2.06 0.00 0.00 37.83 31.70 3kxa s LYS 19 CO 0.18 -1.19 0.97 -1.25 0.10 0.00 0.00 175.35 174.15 3kxa s PRO 20 N 0.75 3.52 0.50 1.78 0.04 -1.26 -5.01 135.00 135.33 3kxa s PRO 20 Ca 0.11 0.15 -0.23 0.00 0.04 0.00 0.00 61.00 61.07 3kxa s PRO 20 Cb -0.22 -3.95 -0.07 0.00 0.04 0.00 0.00 34.50 30.31 3kxa s PRO 20 CO -0.03 -1.31 1.31 0.44 0.04 0.00 0.00 177.00 177.45 3kxa n ILE 21 N 6.46 3.32 -3.37 0.56 -6.64 -1.26 -5.00 119.36 113.42 3kxa n ILE 21 Ca 0.06 -0.50 -0.26 0.00 -1.77 0.00 0.00 62.75 60.28 3kxa n ILE 21 Cb 0.48 -1.62 -0.08 0.00 -1.44 0.00 0.00 39.64 36.98 3kxa n ILE 21 CO 0.00 0.00 0.00 -0.24 -1.77 0.00 0.00 176.55 174.54 3kxa n SER 22 N -0.53 1.59 -4.51 7.28 2.88 -1.26 -5.00 113.62 114.06 3kxa n SER 22 Ca 0.09 -2.95 -0.43 0.00 -1.33 0.00 0.00 58.87 54.25 3kxa n SER 22 Cb 0.43 -0.65 -0.08 0.00 -0.75 0.00 0.00 64.21 63.16 3kxa n SER 22 CO 0.00 0.00 0.00 -2.84 -1.23 0.00 0.00 175.04 170.97 3kxa s PRO 23 N -1.47 3.28 0.00 -1.46 0.02 -1.26 -4.99 135.00 129.12 3kxa s PRO 23 Ca 0.35 -0.46 0.21 0.00 0.02 0.00 0.00 61.00 61.12 3kxa s PRO 23 Cb 0.12 -3.93 1.01 0.00 0.02 0.00 0.00 34.50 31.72 3kxa s PRO 23 CO -0.10 -0.90 1.65 0.09 -0.33 0.00 0.00 177.00 177.42 3kxa n ASN 24 N 5.96 0.00 -4.23 2.53 3.02 -1.26 -4.64 115.26 116.64 3kxa n ASN 24 Ca -0.04 0.07 -0.35 0.00 -0.03 0.00 0.00 54.58 54.23 3kxa n ASN 24 Cb 0.48 -0.32 -0.14 0.00 -0.61 0.00 0.00 39.78 39.19 3kxa n ASN 24 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 3kxa s THR 25 N -2.64 3.21 0.15 3.41 -4.23 -1.26 -4.99 115.64 109.30 3kxa s THR 25 Ca 0.18 -1.08 0.08 0.00 -1.18 0.00 0.00 61.69 59.69 3kxa s THR 25 Cb 0.14 -2.72 -0.04 0.00 1.34 0.00 0.00 72.50 71.22 3kxa s THR 25 CO 0.32 0.05 -0.06 0.42 -0.54 0.00 0.00 174.62 174.80 3kxa s THR 26 N 1.34 3.43 0.23 3.99 -4.23 -1.26 -4.98 115.64 114.17 3kxa s THR 26 Ca -0.01 -1.46 -0.06 0.00 -1.18 0.00 0.00 61.69 58.99 3kxa s THR 26 Cb -0.18 -2.68 0.19 0.00 1.34 0.00 0.00 72.50 71.17 3kxa s THR 26 CO -0.01 -0.04 1.76 -0.65 -0.54 0.00 0.00 174.62 175.13 3kxa h PRO 27 N 3.05 0.52 -0.33 3.99 0.11 -1.98 0.48 132.00 137.84 3kxa h PRO 27 Ca -0.47 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.61 3kxa h PRO 27 Cb 1.19 -0.12 -0.02 0.00 0.11 0.00 0.00 31.00 32.17 3kxa h PRO 27 CO 0.55 0.35 0.21 0.00 -0.21 0.00 0.00 178.00 178.89 3kxa h ALA 28 N 1.48 0.41 0.04 -0.75 0.00 -1.99 0.19 119.26 118.64 3kxa h ALA 28 Ca 0.38 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.25 3kxa h ALA 28 Cb 0.48 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.14 3kxa h ALA 28 CO -0.33 -0.11 -0.02 0.00 0.00 0.00 0.00 179.25 178.80 3kxa h ALA 29 N 1.10 -0.06 -0.87 0.00 0.00 -1.75 -2.66 119.26 115.04 3kxa h ALA 29 Ca 0.12 -0.07 0.18 0.00 0.00 0.00 0.00 54.91 55.14 3kxa h ALA 29 Cb -0.03 0.02 -0.11 0.00 0.00 0.00 0.00 17.79 17.68 3kxa h ALA 29 CO -0.02 -0.47 0.42 1.49 0.00 0.00 0.00 179.25 180.66 3kxa h GLU 30 N -0.17 0.51 0.46 0.00 4.57 0.09 -2.27 114.58 117.78 3kxa h GLU 30 Ca -0.01 -0.03 -0.02 0.00 -1.18 0.00 0.00 59.36 58.12 3kxa h GLU 30 Cb 0.16 -0.12 0.00 0.00 -0.16 0.00 0.00 28.75 28.63 3kxa h GLU 30 CO 0.01 0.34 -0.22 1.25 -1.18 0.00 0.00 179.01 179.21 3kxa h HIS 31 N 0.53 -0.58 -0.85 0.92 2.76 -0.37 -2.49 115.15 115.07 3kxa h HIS 31 Ca 0.50 -0.01 0.06 0.00 -2.20 0.00 0.00 60.37 58.72 3kxa h HIS 31 Cb 0.83 0.19 -0.06 0.00 1.55 0.00 0.00 27.41 29.91 3kxa h HIS 31 CO -0.11 -0.26 0.52 0.82 -1.30 0.00 0.00 177.93 177.60 3kxa h ILE 32 N -0.88 1.03 -0.46 6.26 2.04 -1.42 -0.28 117.51 123.80 3kxa h ILE 32 Ca -0.06 -0.33 0.08 0.00 1.00 0.00 0.00 64.86 65.55 3kxa h ILE 32 Cb 0.58 -0.00 -0.06 0.00 -0.74 0.00 0.00 36.82 36.59 3kxa h ILE 32 CO 0.10 0.17 0.08 -0.08 0.00 0.00 0.00 178.15 178.43 3kxa h GLU 33 N 0.95 0.21 -0.40 2.37 4.81 -1.42 0.98 114.58 122.07 3kxa h GLU 33 Ca 0.37 -0.01 -0.12 0.00 -0.13 0.00 0.00 59.36 59.47 3kxa h GLU 33 Cb 0.18 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.50 3kxa h GLU 33 CO -0.18 0.14 -0.25 0.45 -0.73 0.00 0.00 179.01 178.44 3kxa h HIS 34 N 0.22 0.95 -0.61 0.92 3.86 -0.85 -2.53 115.15 117.11 3kxa h HIS 34 Ca 0.23 -0.23 0.02 0.00 -1.16 0.00 0.00 60.37 59.23 3kxa h HIS 34 Cb 0.30 -0.22 -0.04 0.00 1.06 0.00 0.00 27.41 28.51 3kxa h HIS 34 CO -0.22 0.99 0.38 0.28 0.86 0.00 0.00 177.93 180.22 3kxa h VAL 35 N 0.72 1.09 0.00 2.45 2.07 -0.65 -2.44 116.25 119.48 3kxa h VAL 35 Ca 0.09 -0.26 0.00 0.00 0.82 0.00 0.00 66.70 67.35 3kxa h VAL 35 Cb 0.78 0.27 0.00 0.00 -1.52 0.00 0.00 31.29 30.82 3kxa h VAL 35 CO 0.06 0.14 0.00 0.54 0.02 0.00 0.00 177.57 178.33 3kxa n ARG 36 N -4.72 0.48 0.20 1.57 1.74 0.30 -3.04 116.66 113.19 3kxa n ARG 36 Ca 0.05 0.04 0.08 0.00 -0.77 0.00 0.00 57.85 57.25 3kxa n ARG 36 Cb 0.07 -1.50 0.30 0.00 -1.02 0.00 0.00 32.46 30.31 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 -6.08 5.56 3.64 -1.01 -3.41 116.57 115.27 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 0.18 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 31.94 3kxa h LYS 37 CO 0.00 0.26 0.56 1.21 -2.27 0.00 0.00 179.45 179.21 3kxa s ASN 38 N -6.25 7.09 0.44 4.20 3.84 -1.17 -4.95 114.94 118.14 3kxa s ASN 38 Ca 0.03 1.34 0.20 0.00 0.21 0.00 0.00 52.86 54.64 3kxa s ASN 38 Cb 0.09 -2.51 1.02 0.00 -0.55 0.00 0.00 41.25 39.30 3kxa s ASN 38 CO 0.67 -0.49 1.91 1.55 -2.79 0.00 0.00 177.10 177.95 3kxa h PRO 39 N 7.30 0.00 -0.11 0.43 0.13 -1.89 -0.86 132.00 137.00 3kxa h PRO 39 Ca -0.27 0.00 -0.24 0.00 -0.87 0.00 0.00 66.00 64.62 3kxa h PRO 39 Cb 1.12 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.26 3kxa h PRO 39 CO 0.88 0.25 -0.87 0.00 -0.23 0.00 0.00 178.00 178.04 3kxa h ARG 40 N 0.00 0.77 -0.29 0.86 3.08 -1.94 -2.30 114.38 114.56 3kxa h ARG 40 Ca -0.00 -0.69 -0.07 0.00 0.07 0.00 0.00 59.98 59.29 3kxa h ARG 40 Cb 0.56 0.16 -0.01 0.00 0.08 0.00 0.00 29.97 30.76 3kxa h ARG 40 CO 0.03 1.28 -0.10 0.00 -1.07 0.00 0.00 179.97 180.12 3kxa h ARG 41 N 0.50 0.58 -0.37 0.04 3.08 -1.81 -2.87 114.38 113.54 3kxa h ARG 41 Ca -0.08 -0.24 0.06 0.00 0.07 0.00 0.00 59.98 59.80 3kxa h ARG 41 Cb 1.51 -0.03 -0.05 0.00 0.08 0.00 0.00 29.97 31.47 3kxa h ARG 41 CO 0.18 0.80 0.03 -0.22 -1.07 0.00 0.00 179.97 179.69 3kxa h LYS 42 N 0.34 0.14 0.15 0.04 3.64 -1.11 -2.14 116.57 117.63 3kxa h LYS 42 Ca 0.07 -0.01 0.01 0.00 -1.27 0.00 0.00 60.65 59.45 3kxa h LYS 42 Cb 0.60 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.37 3kxa h LYS 42 CO 0.03 0.09 -0.19 0.00 -2.27 0.00 0.00 179.45 177.12 3kxa h ALA 43 N 1.30 -0.34 0.00 5.00 0.00 -1.47 0.20 119.26 123.95 3kxa h ALA 43 Ca 0.18 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.05 3kxa h ALA 43 Cb 0.23 0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.30 3kxa h ALA 43 CO -0.27 -0.72 0.00 0.00 0.00 0.00 0.00 179.25 178.26 3kxa n ALA 44 N -2.45 0.51 0.00 0.00 0.00 -0.80 -0.63 120.51 117.14 3kxa n ALA 44 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.37 3kxa n ALA 44 Cb 0.23 -0.43 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 0.07 0.00 -0.12 0.00 8.00 0.71 -2.50 116.55 122.71 3kxa n ASP 46 Ca 0.00 0.00 -0.02 0.00 0.71 0.00 0.00 54.79 55.48 3kxa n ASP 46 Cb 0.00 0.00 0.22 0.00 -0.02 0.00 0.00 41.12 41.32 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 0.79 -0.30 -1.24 3.08 -1.13 -0.78 114.38 114.80 3kxa h ARG 47 Ca 0.00 -0.14 -0.04 0.00 0.07 0.00 0.00 59.98 59.87 3kxa h ARG 47 Cb 0.00 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 29.91 3kxa h ARG 47 CO 0.00 0.69 0.03 0.00 -1.07 0.00 0.00 179.97 179.62 3kxa h ALA 48 N 1.41 0.40 -0.78 0.04 0.00 -1.73 -2.49 119.26 116.11 3kxa h ALA 48 Ca 0.18 -0.21 0.05 0.00 0.00 0.00 0.00 54.91 54.93 3kxa h ALA 48 Cb 0.23 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 17.86 3kxa h ALA 48 CO -0.01 0.11 0.48 0.00 0.00 0.00 0.00 179.25 179.83 3kxa h ALA 49 N 0.86 1.05 -0.23 0.00 0.00 -1.69 -1.37 119.26 117.87 3kxa h ALA 49 Ca 0.09 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 3kxa h ALA 49 Cb 0.37 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 3kxa h ALA 49 CO 0.01 0.22 0.07 0.00 0.00 0.00 0.00 179.25 179.55 3kxa h ALA 50 N 1.36 0.30 -0.67 0.00 0.00 -1.10 0.18 119.26 119.33 3kxa h ALA 50 Ca 0.33 -0.14 0.03 0.00 0.00 0.00 0.00 54.91 55.14 3kxa h ALA 50 Cb 0.12 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.78 3kxa h ALA 50 CO -0.15 -0.07 0.41 0.00 0.00 0.00 0.00 179.25 179.44 3kxa h ARG 51 N 0.21 0.78 -0.45 0.00 3.08 -1.12 -1.40 114.38 115.47 3kxa h ARG 51 Ca 0.07 -0.05 -0.11 0.00 0.07 0.00 0.00 59.98 59.97 3kxa h ARG 51 Cb 0.23 -0.18 -0.02 0.00 0.08 0.00 0.00 29.97 30.09 3kxa h ARG 51 CO -0.00 0.51 -0.16 0.82 -1.07 0.00 0.00 179.97 180.07 3kxa h ILE 52 N 0.80 1.27 -0.37 2.04 2.04 -1.01 -2.84 117.51 119.44 3kxa h ILE 52 Ca 0.27 -1.28 0.02 0.00 1.00 0.00 0.00 64.86 64.88 3kxa h ILE 52 Cb 0.04 1.09 -0.02 0.00 -0.74 0.00 0.00 36.82 37.20 3kxa h ILE 52 CO -0.12 0.44 0.24 0.00 0.00 0.00 0.00 178.15 178.71 3kxa h ALA 53 N 1.05 1.81 -0.09 1.87 0.00 0.26 -1.39 119.26 122.78 3kxa h ALA 53 Ca 0.12 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 3kxa h ALA 53 Cb 0.68 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.35 3kxa h ALA 53 CO 0.05 0.15 0.03 -0.44 0.00 0.00 0.00 179.25 179.04 3kxa h ASP 54 N 0.43 0.12 -0.56 0.00 3.32 -1.05 -0.52 116.42 118.17 3kxa h ASP 54 Ca 0.14 -0.18 0.04 0.00 0.02 0.00 0.00 57.03 57.06 3kxa h ASP 54 Cb 0.05 -0.03 -0.03 0.00 0.22 0.00 0.00 39.33 39.53 3kxa h ASP 54 CO -0.03 0.27 0.37 0.11 -1.72 0.00 0.00 179.24 178.23 3kxa h LYS 55 N -0.02 0.58 -0.08 3.56 1.57 -1.35 -1.77 116.57 119.05 3kxa h LYS 55 Ca 0.03 -0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 58.76 3kxa h LYS 55 Cb 0.18 -0.13 -0.00 0.00 0.08 0.00 0.00 32.23 32.36 3kxa h LYS 55 CO -0.00 0.39 -0.01 0.82 -0.57 0.00 0.00 179.45 180.07 3kxa h ILE 56 N 0.60 1.28 -0.44 1.86 2.04 -0.85 -2.27 117.51 119.73 3kxa h ILE 56 Ca 0.23 -0.89 -0.01 0.00 1.00 0.00 0.00 64.86 65.19 3kxa h ILE 56 Cb 0.16 1.71 -0.02 0.00 -0.74 0.00 0.00 36.82 37.92 3kxa h ILE 56 CO -0.06 0.25 0.22 0.00 0.00 0.00 0.00 178.15 178.56 3kxa h ALA 57 N 0.69 0.56 -0.28 1.87 0.00 -0.60 -1.21 119.26 120.29 3kxa h ALA 57 Ca 0.02 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 3kxa h ALA 57 Cb 0.40 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 3kxa h ALA 57 CO 0.01 0.11 0.05 1.25 0.00 0.00 0.00 179.25 180.67 3kxa h LEU 58 N 0.56 0.44 -1.45 0.00 6.46 -1.43 -0.09 115.31 119.79 3kxa h LEU 58 Ca 0.15 -0.25 -0.02 0.00 -0.12 0.00 0.00 57.88 57.64 3kxa h LEU 58 Cb 0.10 -0.12 -0.02 0.00 -0.73 0.00 0.00 40.66 39.89 3kxa h LEU 58 CO -0.02 0.58 0.14 0.50 -0.62 0.00 0.00 178.44 179.02 3kxa h LYS 59 N 0.28 0.51 -0.01 1.25 1.63 -1.26 -3.29 116.57 115.67 3kxa h LYS 59 Ca 0.09 -0.06 0.00 0.00 -0.85 0.00 0.00 60.65 59.82 3kxa h LYS 59 Cb 0.32 -0.10 0.00 0.00 -0.60 0.00 0.00 32.23 31.85 3kxa h LYS 59 CO 0.00 0.43 -0.36 0.00 -3.45 0.00 0.00 179.45 176.07 3kxa n ALA 60 N -2.48 3.25 0.00 5.00 0.00 -0.47 -4.97 120.51 120.85 3kxa n ALA 60 Ca 0.02 -0.58 0.00 0.00 0.00 0.00 0.00 53.44 52.88 3kxa n ALA 60 Cb 0.14 -0.64 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 1.23 1.41 0.00 0.00 0.00 -0.88 -4.93 105.19 102.03 3kxa n GLY 61 Ca 0.08 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.09 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 -1.02 3.68 -0.02 0.00 -0.10 -4.94 105.19 102.79 3kxa n GLY 62 Ca 0.00 -0.93 -0.42 0.00 0.00 0.00 0.00 46.02 44.67 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 2.83 -2.93 1.61 4.07 -1.26 -4.35 120.64 120.61 3kxa n GLU 63 Ca 0.00 1.04 -0.19 0.00 -0.06 0.00 0.00 57.16 57.95 3kxa n GLU 63 Cb 0.00 -2.96 0.03 0.00 -0.06 0.00 0.00 31.44 28.45 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 3.59 2.71 0.20 6.31 -4.23 -1.26 -4.23 115.64 118.72 3kxa s THR 64 Ca 0.85 -0.92 -0.09 0.00 -1.18 0.00 0.00 61.69 60.35 3kxa s THR 64 Cb -0.46 -2.79 0.13 0.00 1.34 0.00 0.00 72.50 70.71 3kxa s THR 64 CO 0.40 0.00 1.75 0.15 -0.54 0.00 0.00 174.62 176.37 3kxa h PHE 65 N 0.38 1.14 -0.06 3.99 3.57 -1.87 -1.55 116.94 122.53 3kxa h PHE 65 Ca -0.38 -0.10 -0.01 0.00 3.53 0.00 0.00 57.97 61.01 3kxa h PHE 65 Cb 1.28 -0.33 -0.00 0.00 2.79 0.00 0.00 35.95 39.69 3kxa h PHE 65 CO 0.37 0.89 0.01 0.28 -2.23 0.00 0.00 178.31 177.63 3kxa h VAL 66 N 1.06 1.19 -0.43 1.41 2.07 -1.93 -2.19 116.25 117.43 3kxa h VAL 66 Ca 0.24 -0.59 0.07 0.00 0.82 0.00 0.00 66.70 67.23 3kxa h VAL 66 Cb 0.26 1.47 -0.09 0.00 -1.52 0.00 0.00 31.29 31.41 3kxa h VAL 66 CO -0.01 0.16 -0.46 -1.28 0.02 0.00 0.00 177.57 176.00 3kxa h SER 67 N -0.12 -1.54 -0.39 0.57 0.87 -1.86 -1.97 113.55 109.12 3kxa h SER 67 Ca 0.02 0.23 0.05 0.00 -1.23 0.00 0.00 61.79 60.86 3kxa h SER 67 Cb 0.25 0.66 -0.04 0.00 -0.44 0.00 0.00 62.40 62.83 3kxa h SER 67 CO 0.00 -0.37 0.12 0.25 -0.53 0.00 0.00 176.83 176.30 3kxa h LEU 68 N -0.33 0.11 -1.23 2.23 5.85 -1.28 -1.67 115.31 118.99 3kxa h LEU 68 Ca 0.13 0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.90 3kxa h LEU 68 Cb 0.59 0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.66 3kxa h LEU 68 CO -0.60 0.10 0.00 -1.14 -0.34 0.00 0.00 178.44 176.46 3kxa n ARG 69 N -5.04 0.00 0.00 1.25 0.63 -0.74 -2.52 116.66 110.24 3kxa n ARG 69 Ca 0.02 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.95 3kxa n ARG 69 Cb 0.15 -0.94 0.00 0.00 0.45 0.00 0.00 32.46 32.12 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 0.46 0.00 0.00 -0.14 5.02 -0.63 -2.41 118.16 120.46 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 0.64 0.00 -0.02 0.00 0.00 35.03 35.65 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 1.46 -2.42 1.97 4.76 -1.05 -4.94 118.16 117.94 3kxa n LYS 72 Ca 0.00 -0.69 -0.07 0.00 -2.87 0.00 0.00 58.31 54.68 3kxa n LYS 72 Cb 0.00 -1.49 0.01 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 1.13 0.28 3.34 0.72 0.00 -1.16 -5.04 105.19 104.46 3kxa n GLY 73 Ca 0.20 -0.53 -0.36 0.00 0.00 0.00 0.00 46.02 45.34 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 -2.65 3.04 0.67 1.61 0.40 -1.01 -5.02 117.98 115.02 3kxa s PHE 74 Ca 0.08 -0.88 -0.16 0.00 -0.60 0.00 0.00 56.93 55.37 3kxa s PHE 74 Cb -0.03 -2.17 0.01 0.00 0.51 0.00 0.00 43.02 41.34 3kxa s PHE 74 CO 0.09 -0.53 1.17 0.95 0.70 0.00 0.00 175.22 177.61 3kxa s THR 75 N 1.50 2.73 0.32 0.64 -4.23 -1.26 -4.76 115.64 110.58 3kxa s THR 75 Ca 0.05 0.37 0.10 0.00 -1.18 0.00 0.00 61.69 61.02 3kxa s THR 75 Cb -0.15 -2.95 0.31 0.00 1.34 0.00 0.00 72.50 71.05 3kxa s THR 75 CO -0.01 -0.18 1.73 -0.61 -0.54 0.00 0.00 174.62 175.02 3kxa h GLN 76 N 0.08 0.56 -0.39 3.99 4.15 -1.98 -0.05 115.11 121.48 3kxa h GLN 76 Ca -0.48 -0.03 -0.02 0.00 0.77 0.00 0.00 58.65 58.89 3kxa h GLN 76 Cb 1.28 -0.13 -0.02 0.00 0.21 0.00 0.00 27.48 28.82 3kxa h GLN 76 CO 0.52 0.37 0.16 1.03 -1.93 0.00 0.00 178.83 178.99 3kxa h SER 77 N 0.58 0.53 -0.11 -0.69 0.87 -1.97 -1.21 113.55 111.56 3kxa h SER 77 Ca 0.64 -0.16 -0.02 0.00 -1.23 0.00 0.00 61.79 61.03 3kxa h SER 77 Cb 1.23 -0.14 -0.00 0.00 -0.44 0.00 0.00 62.40 63.05 3kxa h SER 77 CO -0.47 0.54 0.01 -0.33 -0.53 0.00 0.00 176.83 176.05 3kxa h GLU 78 N 0.48 0.19 -0.73 2.24 5.08 -1.45 -2.02 114.58 118.37 3kxa h GLU 78 Ca 0.13 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 3kxa h GLU 78 Cb 0.17 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.37 3kxa h GLU 78 CO -0.01 0.42 0.47 1.25 -1.00 0.00 0.00 179.01 180.14 3kxa h LEU 79 N -0.07 0.85 -0.87 1.33 5.85 -1.08 -0.02 115.31 121.29 3kxa h LEU 79 Ca 0.03 -0.03 0.06 0.00 0.84 0.00 0.00 57.88 58.78 3kxa h LEU 79 Cb 0.33 -0.21 -0.06 0.00 0.37 0.00 0.00 40.66 41.09 3kxa h LEU 79 CO 0.00 0.62 0.55 0.00 -0.34 0.00 0.00 178.44 179.27 3kxa h ALA 80 N 1.26 1.19 -0.12 1.25 0.00 -1.11 -0.61 119.26 121.11 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 -0.10 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.44 3kxa h ALA 80 CO -0.06 0.32 -0.09 1.15 0.00 0.00 0.00 179.25 180.58 3kxa h THR 81 N 1.01 1.34 -0.50 0.00 2.02 -1.04 -0.51 112.91 115.22 3kxa h THR 81 Ca 0.37 -1.18 0.04 0.00 0.77 0.00 0.00 66.41 66.41 3kxa h THR 81 Cb 0.13 1.85 -0.03 0.00 -1.74 0.00 0.00 68.15 68.37 3kxa h THR 81 CO -0.16 0.34 0.33 0.00 0.37 0.00 0.00 175.52 176.40 3kxa h ALA 82 N 0.62 1.78 -0.43 6.16 0.00 -0.76 -3.00 119.26 123.64 3kxa h ALA 82 Ca 0.02 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3kxa h ALA 82 Cb 0.58 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.22 3kxa h ALA 82 CO 0.02 0.16 0.00 0.00 0.00 0.00 0.00 179.25 179.43 3kxa n ALA 83 N -2.48 2.42 -2.91 0.00 0.00 -0.26 -4.72 120.51 112.56 3kxa n ALA 83 Ca 0.06 -1.02 -0.18 0.00 0.00 0.00 0.00 53.44 52.30 3kxa n ALA 83 Cb 0.16 -0.89 0.03 0.00 0.00 0.00 0.00 19.45 18.75 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 1.52 -0.27 3.51 0.00 0.00 -1.07 -4.78 105.19 104.10 3kxa n GLY 84 Ca 0.20 -0.05 -0.25 0.00 0.00 0.00 0.00 46.02 45.92 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 -5.45 2.72 0.22 0.99 1.43 -0.22 -5.06 118.68 113.31 3kxa s LEU 85 Ca 0.26 -0.83 -0.26 0.00 -1.03 0.00 0.00 54.13 52.26 3kxa s LEU 85 Cb -0.12 -1.33 -0.09 0.00 0.03 0.00 0.00 46.19 44.69 3kxa s LEU 85 CO 0.32 0.07 0.85 -2.84 0.23 0.00 0.00 176.35 174.98 3kxa s PRO 86 N -3.17 4.63 0.22 1.29 0.02 -1.26 -4.33 135.00 132.40 3kxa s PRO 86 Ca 0.27 1.26 -0.06 0.00 0.02 0.00 0.00 61.00 62.49 3kxa s PRO 86 Cb -0.07 -3.16 0.18 0.00 0.02 0.00 0.00 34.50 31.48 3kxa s PRO 86 CO 0.14 0.49 1.70 0.37 -0.33 0.00 0.00 177.00 179.37 3kxa h GLN 87 N 3.99 0.97 -0.58 5.54 4.15 -1.92 -0.79 115.11 126.47 3kxa h GLN 87 Ca -0.46 -0.28 0.10 0.00 0.77 0.00 0.00 58.65 58.77 3kxa h GLN 87 Cb 1.20 -0.10 -0.08 0.00 0.21 0.00 0.00 27.48 28.71 3kxa h GLN 87 CO 0.66 0.95 0.16 -1.35 -1.93 0.00 0.00 178.83 177.32 3kxa h PRO 88 N 0.90 0.30 -0.70 -2.39 0.11 -1.99 0.18 132.00 128.41 3kxa h PRO 88 Ca 0.17 -0.02 -0.05 0.00 0.11 0.00 0.00 66.00 66.21 3kxa h PRO 88 Cb 0.50 -0.07 -0.03 0.00 0.11 0.00 0.00 31.00 31.51 3kxa h PRO 88 CO 0.02 0.20 0.22 -0.92 -0.21 0.00 0.00 178.00 177.32 3kxa h TYR 89 N 0.31 1.11 -0.36 0.65 3.20 -1.73 -2.10 116.97 118.06 3kxa h TYR 89 Ca 0.30 -0.10 -0.03 0.00 3.14 0.00 0.00 58.73 62.04 3kxa h TYR 89 Cb 0.41 -0.33 -0.02 0.00 1.54 0.00 0.00 36.73 38.34 3kxa h TYR 89 CO -0.21 0.88 0.12 1.25 -1.64 0.00 0.00 178.16 178.56 3kxa h LEU 90 N 1.04 0.51 -0.96 2.82 5.85 -0.71 -0.93 115.31 122.92 3kxa h LEU 90 Ca 0.23 -0.19 0.13 0.00 0.84 0.00 0.00 57.88 58.89 3kxa h LEU 90 Cb 0.29 -0.13 -0.09 0.00 0.37 0.00 0.00 40.66 41.10 3kxa h LEU 90 CO -0.01 0.56 0.58 -1.28 -0.34 0.00 0.00 178.44 177.96 3kxa h SER 91 N 0.42 0.82 -0.19 1.25 0.87 -0.43 -0.79 113.55 115.50 3kxa h SER 91 Ca 0.12 0.06 -0.11 0.00 -1.23 0.00 0.00 61.79 60.63 3kxa h SER 91 Cb 0.23 -0.10 -0.01 0.00 -0.44 0.00 0.00 62.40 62.08 3kxa h SER 91 CO -0.01 0.41 -0.23 0.03 -0.53 0.00 0.00 176.83 176.50 3kxa h ARG 92 N 0.88 0.65 -0.72 2.24 3.08 -0.98 -2.02 114.38 117.52 3kxa h ARG 92 Ca 0.49 -0.25 -0.03 0.00 0.07 0.00 0.00 59.98 60.27 3kxa h ARG 92 Cb 0.56 -0.03 -0.03 0.00 0.08 0.00 0.00 29.97 30.55 3kxa h ARG 92 CO -0.30 0.83 0.34 0.82 -1.07 0.00 0.00 179.97 180.60 3kxa h ILE 93 N 0.57 1.23 0.00 2.04 2.04 0.17 0.26 117.51 123.81 3kxa h ILE 93 Ca 0.08 -0.63 -0.11 0.00 1.00 0.00 0.00 64.86 65.20 3kxa h ILE 93 Cb 0.70 0.31 -0.02 0.00 -0.74 0.00 0.00 36.82 37.07 3kxa h ILE 93 CO 0.05 0.27 -0.52 -0.33 0.00 0.00 0.00 178.15 177.62 3kxa h GLU 94 N 1.01 0.00 0.00 2.37 5.08 -1.01 -3.42 114.58 118.61 3kxa h GLU 94 Ca 0.25 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.61 3kxa h GLU 94 Cb 0.10 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.35 3kxa h GLU 94 CO -0.03 0.52 -0.85 0.09 -1.00 0.00 0.00 179.01 177.74 3kxa n ASN 95 N -3.34 0.96 -0.11 1.42 3.02 -0.78 -4.79 115.26 111.64 3kxa n ASN 95 Ca 0.01 0.00 -0.20 0.00 -0.03 0.00 0.00 54.58 54.36 3kxa n ASN 95 Cb 0.69 0.00 -0.09 0.00 -0.61 0.00 0.00 39.78 39.77 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 -2.76 1.96 -4.74 6.41 7.64 0.18 -5.05 113.62 117.25 3kxa n SER 96 Ca 0.00 0.09 -0.39 0.00 1.01 0.00 0.00 58.87 59.58 3kxa n SER 96 Cb 0.43 -0.51 0.04 0.00 -1.01 0.00 0.00 64.21 63.15 3kxa n SER 96 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 3kxa n LYS 97 N -3.60 1.70 -0.05 1.43 5.02 0.67 -4.99 118.16 118.34 3kxa n LYS 97 Ca -0.42 0.63 -0.10 0.00 -2.02 0.00 0.00 58.31 56.40 3kxa n LYS 97 Cb 0.86 -2.57 -0.15 0.00 -0.02 0.00 0.00 35.03 33.15 3kxa n LYS 97 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 3kxa n GLN 98 N -0.98 0.66 -4.06 1.97 6.02 -1.26 -4.98 117.38 114.75 3kxa n GLN 98 Ca 0.10 0.18 -0.10 0.00 -0.01 0.00 0.00 57.00 57.17 3kxa n GLN 98 Cb 0.44 -1.68 -0.07 0.00 1.02 0.00 0.00 30.24 29.95 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 -5.94 0.03 -0.05 1.08 1.04 -1.26 -5.07 113.70 103.53 3kxa s SER 99 Ca -0.09 -1.07 0.06 0.00 0.48 0.00 0.00 55.95 55.33 3kxa s SER 99 Cb 0.07 0.48 -0.01 0.00 0.10 0.00 0.00 66.02 66.65 3kxa s SER 99 CO 0.82 -0.97 -0.23 -0.76 0.98 0.00 0.00 173.24 173.07 3kxa s LEU 100 N -3.05 2.17 0.60 2.42 1.43 -1.26 -5.07 118.68 115.92 3kxa s LEU 100 Ca 0.26 -0.46 -0.18 0.00 -1.03 0.00 0.00 54.13 52.73 3kxa s LEU 100 Cb 0.03 -1.40 -0.03 0.00 0.03 0.00 0.00 46.19 44.82 3kxa s LEU 100 CO 0.08 0.27 1.19 -1.10 0.23 0.00 0.00 176.35 177.01 3kxa s GLN 101 N -0.31 2.94 0.23 1.70 -0.21 -1.26 -4.89 119.66 117.85 3kxa s GLN 101 Ca 0.01 1.75 -0.07 0.00 0.02 0.00 0.00 55.36 57.07 3kxa s GLN 101 Cb -0.13 -1.93 0.30 0.00 1.00 0.00 0.00 33.01 32.25 3kxa s GLN 101 CO 0.02 -1.21 1.82 0.22 -2.12 0.00 0.00 175.29 174.02 3kxa h ASP 102 N 0.75 0.64 -0.83 5.90 -0.00 -2.00 -2.01 116.42 118.88 3kxa h ASP 102 Ca -0.50 0.03 0.09 0.00 -0.00 0.00 0.00 57.03 56.66 3kxa h ASP 102 Cb 1.29 -0.09 -0.06 0.00 -0.00 0.00 0.00 39.33 40.47 3kxa h ASP 102 CO 0.55 0.40 0.54 0.50 -0.00 0.00 0.00 179.24 181.23 3kxa h LYS 103 N 0.77 0.77 -0.02 0.28 3.64 -2.00 -2.36 116.57 117.66 3kxa h LYS 103 Ca 0.34 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.67 3kxa h LYS 103 Cb 0.23 -0.17 -0.00 0.00 -0.41 0.00 0.00 32.23 31.88 3kxa h LYS 103 CO -0.20 0.51 -0.03 1.15 -2.27 0.00 0.00 179.45 178.61 3kxa h THR 104 N 0.79 1.43 -0.97 1.00 2.02 -1.75 -1.78 112.91 113.65 3kxa h THR 104 Ca 0.38 -1.31 0.24 0.00 0.77 0.00 0.00 66.41 66.49 3kxa h THR 104 Cb 0.42 2.28 -0.13 0.00 -1.74 0.00 0.00 68.15 68.99 3kxa h THR 104 CO -0.15 0.35 0.53 0.58 0.37 0.00 0.00 175.52 177.19 3kxa h VAL 105 N -0.49 0.50 -0.04 3.16 2.07 -1.11 0.16 116.25 120.51 3kxa h VAL 105 Ca 0.00 -0.17 -0.05 0.00 0.82 0.00 0.00 66.70 67.29 3kxa h VAL 105 Cb 0.58 -0.05 0.00 0.00 -1.52 0.00 0.00 31.29 30.30 3kxa h VAL 105 CO 0.01 0.09 -0.19 1.56 0.02 0.00 0.00 177.57 179.06 3kxa h GLN 106 N 0.50 0.19 -0.78 1.57 4.20 -1.35 0.13 115.11 119.58 3kxa h GLN 106 Ca 0.62 -0.16 0.14 0.00 0.06 0.00 0.00 58.65 59.31 3kxa h GLN 106 Cb 1.20 0.03 -0.09 0.00 0.30 0.00 0.00 27.48 28.93 3kxa h GLN 106 CO -0.50 0.82 0.35 0.87 -0.67 0.00 0.00 178.83 179.69 3kxa h LYS 107 N -0.38 0.49 -0.19 1.46 1.57 -0.55 -0.35 116.57 118.63 3kxa h LYS 107 Ca -0.01 -0.03 -0.16 0.00 -1.87 0.00 0.00 60.65 58.58 3kxa h LYS 107 Cb 0.86 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 33.06 3kxa h LYS 107 CO 0.04 0.33 -0.51 -0.07 -0.57 0.00 0.00 179.45 178.67 3kxa h LEU 108 N 0.51 0.77 -0.93 2.94 3.38 -0.62 -2.15 115.31 119.21 3kxa h LEU 108 Ca 0.42 -0.58 -0.01 0.00 0.09 0.00 0.00 57.88 57.81 3kxa h LEU 108 Cb 0.61 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 41.09 3kxa h LEU 108 CO -0.38 1.21 0.56 0.00 0.09 0.00 0.00 178.44 179.92 3kxa h ALA 109 N 0.58 1.18 -0.38 1.53 0.00 -0.09 -1.49 119.26 120.59 3kxa h ALA 109 Ca -0.01 -0.11 -0.08 0.00 0.00 0.00 0.00 54.91 54.71 3kxa h ALA 109 Cb 1.13 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 3kxa h ALA 109 CO 0.11 0.65 -0.08 -0.91 0.00 0.00 0.00 179.25 179.02 3kxa h ASN 110 N 1.28 0.73 -0.70 0.00 2.35 -1.05 0.23 115.58 118.43 3kxa h ASN 110 Ca 0.33 -0.36 0.02 0.00 -0.55 0.00 0.00 56.30 55.74 3kxa h ASN 110 Cb -0.05 -0.20 -0.04 0.00 0.05 0.00 0.00 38.32 38.08 3kxa h ASN 110 CO -0.06 0.92 0.46 0.00 -1.65 0.00 0.00 177.43 177.09 3kxa h ALA 111 N 0.84 0.90 0.00 -0.83 0.00 -0.84 -2.60 119.26 116.74 3kxa h ALA 111 Ca 0.10 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.97 3kxa h ALA 111 Cb 0.59 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.12 3kxa h ALA 111 CO 0.04 0.28 -0.56 1.28 0.00 0.00 0.00 179.25 180.28 3kxa n LEU 112 N -4.62 0.54 -3.51 0.00 4.77 -0.61 -4.99 117.00 108.59 3kxa n LEU 112 Ca 0.07 0.03 -0.19 0.00 -0.03 0.00 0.00 56.01 55.89 3kxa n LEU 112 Cb 0.04 -0.23 0.08 0.00 -2.33 0.00 0.00 43.42 40.98 3kxa n LEU 112 CO 0.35 0.09 0.10 0.61 -1.33 0.00 0.00 177.39 177.20 3kxa n GLY 113 N 1.46 -0.37 3.32 -0.72 0.00 0.69 -5.04 105.19 104.53 3kxa n GLY 113 Ca 0.05 0.13 -0.17 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 -3.41 0.73 0.69 1.61 -7.23 -0.49 -5.03 120.40 107.27 3kxa s VAL 114 Ca 0.09 -2.00 -0.14 0.00 -1.81 0.00 0.00 61.98 58.12 3kxa s VAL 114 Cb -0.04 -2.51 0.01 0.00 0.56 0.00 0.00 36.38 34.40 3kxa s VAL 114 CO 0.75 -0.14 1.10 -0.94 -0.31 0.00 0.00 175.10 175.56 3kxa s SER 115 N -3.31 4.96 0.24 4.85 1.04 -1.26 -4.51 113.70 115.72 3kxa s SER 115 Ca 0.34 1.95 -0.05 0.00 0.48 0.00 0.00 55.95 58.66 3kxa s SER 115 Cb 0.07 -2.54 0.43 0.00 0.10 0.00 0.00 66.02 64.08 3kxa s SER 115 CO 0.11 -1.73 1.72 -0.65 0.98 0.00 0.00 173.24 173.68 3kxa h PRO 116 N -0.28 0.39 -0.57 4.02 0.11 -1.93 -2.29 132.00 131.46 3kxa h PRO 116 Ca -0.46 -0.02 0.09 0.00 0.11 0.00 0.00 66.00 65.72 3kxa h PRO 116 Cb 1.24 -0.09 -0.07 0.00 0.11 0.00 0.00 31.00 32.19 3kxa h PRO 116 CO 0.53 0.26 0.18 1.25 -0.21 0.00 0.00 178.00 180.02 3kxa h LEU 117 N 0.41 0.15 0.34 2.35 5.85 -1.98 0.18 115.31 122.61 3kxa h LEU 117 Ca 0.40 0.08 -0.01 0.00 0.84 0.00 0.00 57.88 59.19 3kxa h LEU 117 Cb 0.60 0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.69 3kxa h LEU 117 CO -0.40 0.10 -0.27 -0.33 -0.34 0.00 0.00 178.44 177.20 3kxa h GLU 118 N 0.35 -0.59 -0.31 1.25 5.08 -1.80 0.47 114.58 119.03 3kxa h GLU 118 Ca 0.29 0.04 0.07 0.00 -1.00 0.00 0.00 59.36 58.76 3kxa h GLU 118 Cb 0.36 0.13 -0.08 0.00 0.50 0.00 0.00 28.75 29.67 3kxa h GLU 118 CO -0.31 -0.39 -0.24 0.28 -1.00 0.00 0.00 179.01 177.35 3kxa h VAL 119 N -0.61 0.38 -0.31 3.13 2.07 -1.10 -0.20 116.25 119.61 3kxa h VAL 119 Ca -0.02 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.48 3kxa h VAL 119 Cb 0.54 0.38 -0.01 0.00 -1.52 0.00 0.00 31.29 30.67 3kxa h VAL 119 CO -0.01 0.00 0.15 0.03 0.02 0.00 0.00 177.57 177.76 3kxa h ARG 120 N -0.21 0.45 -0.72 1.57 3.08 -0.42 -1.55 114.38 116.57 3kxa h ARG 120 Ca 0.16 -0.06 0.05 0.00 0.07 0.00 0.00 59.98 60.19 3kxa h ARG 120 Cb 0.46 -0.08 -0.04 0.00 0.08 0.00 0.00 29.97 30.39 3kxa h ARG 120 CO -0.43 0.42 0.48 0.00 -1.07 0.00 0.00 179.97 179.36 3kxa h ALA 121 N 1.01 1.64 0.14 0.04 0.00 0.38 -1.09 119.26 121.38 3kxa h ALA 121 Ca 0.11 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 3kxa h ALA 121 Cb 0.11 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.68 3kxa h ALA 121 CO -0.01 0.27 -0.07 0.00 0.00 0.00 0.00 179.25 179.44 3kxa h ALA 122 N 1.59 -0.19 -0.50 0.00 0.00 -0.67 -3.15 119.26 116.34 3kxa h ALA 122 Ca 0.30 -0.19 0.10 0.00 0.00 0.00 0.00 54.91 55.12 3kxa h ALA 122 Cb 0.15 0.07 -0.08 0.00 0.00 0.00 0.00 17.79 17.94 3kxa h ALA 122 CO -0.09 -0.42 0.01 0.35 0.00 0.00 0.00 179.25 179.10 3kxa h PHE 123 N -0.57 -0.01 0.00 0.00 3.57 -0.93 -1.65 116.94 117.34 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 0.44 0.08 0.00 0.00 2.79 0.00 0.00 35.95 39.27 3kxa h PHE 123 CO 0.04 -0.10 0.00 0.39 -2.23 0.00 0.00 178.31 176.41 3kxa n GLU 124 N -5.22 0.10 0.00 1.11 -0.58 -0.45 -2.44 120.64 113.16 3kxa n GLU 124 Ca 0.05 0.22 0.14 0.00 -0.42 0.00 0.00 57.16 57.15 3kxa n GLU 124 Cb 0.27 -1.50 0.67 0.00 -0.57 0.00 0.00 31.44 30.31 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 0.30 0.00 3.49 3.00 -0.62 -2.60 116.66 118.94 3kxa n ARG 125 Ca 0.03 0.03 0.13 0.00 -0.00 0.00 0.00 57.85 58.04 3kxa n ARG 125 Cb 0.06 -1.50 0.73 0.00 0.00 0.00 0.00 32.46 31.75 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 -1.33 0.67 -4.01 -0.14 1.85 -1.02 -4.84 116.66 107.84 3kxa n ARG 126 Ca 0.12 0.02 -0.24 0.00 -1.00 0.00 0.00 57.85 56.74 3kxa n ARG 126 Cb 0.24 -1.50 -0.06 0.00 -1.05 0.00 0.00 32.46 30.10 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 -2.19 2.47 -0.32 2.89 1.51 -1.07 -5.11 117.35 115.53 3kxa s TYR 127 Ca 0.34 -0.62 0.03 0.00 -1.01 0.00 0.00 57.07 55.81 3kxa s TYR 127 Cb 0.18 -1.98 0.09 0.00 -0.11 0.00 0.00 41.96 40.14 3kxa s TYR 127 CO 0.33 0.04 0.03 -2.00 -1.11 0.00 0.00 175.55 172.84 3kxa s GLU 128 N -4.00 1.43 0.00 -0.62 2.56 -1.26 -5.11 118.70 111.70 3kxa s GLU 128 Ca 0.40 -1.61 0.29 0.00 0.00 0.00 0.00 54.97 54.04 3kxa s GLU 128 Cb 0.02 -2.91 1.19 0.00 2.00 0.00 0.00 34.13 34.42 3kxa s GLU 128 CO 0.23 -0.89 1.82 0.66 -0.56 0.00 0.00 175.26 176.52