#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3k3k n PRO 2 N 0.00 1.54 0.29 2.12 -0.02 -1.26 -4.85 135.00 132.82 3k3k n PRO 2 Ca 0.00 0.55 0.17 0.00 -2.02 0.00 0.00 63.50 62.20 3k3k n PRO 2 Cb 0.00 -2.11 0.86 0.00 -0.02 0.00 0.00 33.50 32.23 3k3k n PRO 2 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3k3k h SER 3 N 3.70 0.00 -3.96 2.55 4.64 -2.01 -3.44 113.55 115.02 3k3k h SER 3 Ca -0.44 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.35 3k3k h SER 3 Cb 1.31 0.00 0.09 0.00 -0.31 0.00 0.00 62.40 63.49 3k3k h SER 3 CO 0.72 0.05 0.62 -1.61 -0.87 0.00 0.00 176.83 175.74 3k3k s GLU 4 N -4.04 3.87 0.43 4.77 2.02 -1.26 -4.60 118.70 119.90 3k3k s GLU 4 Ca -0.02 2.17 -0.26 0.00 0.02 0.00 0.00 54.97 56.88 3k3k s GLU 4 Cb 0.12 -2.70 -0.09 0.00 0.10 0.00 0.00 34.13 31.56 3k3k s GLU 4 CO 0.52 -0.58 1.42 -0.51 0.02 0.00 0.00 175.26 176.14 3k3k s LEU 5 N -2.56 4.17 0.76 1.80 1.43 -1.26 -5.02 118.68 117.99 3k3k s LEU 5 Ca 0.59 2.92 -0.11 0.00 -1.03 0.00 0.00 54.13 56.49 3k3k s LEU 5 Cb -0.38 -3.88 0.05 0.00 0.03 0.00 0.00 46.19 42.00 3k3k s LEU 5 CO 0.49 -1.08 1.08 0.42 0.23 0.00 0.00 176.35 177.49 3k3k s THR 6 N -1.19 3.50 0.34 5.49 -4.23 -1.26 -4.84 115.64 113.45 3k3k s THR 6 Ca 0.59 0.49 0.09 0.00 -1.18 0.00 0.00 61.69 61.67 3k3k s THR 6 Cb -0.44 -3.06 0.32 0.00 1.34 0.00 0.00 72.50 70.66 3k3k s THR 6 CO 0.57 -0.64 1.84 -0.65 -0.54 0.00 0.00 174.62 175.20 3k3k h PRO 7 N -1.02 0.69 -0.28 3.99 0.11 -1.98 0.29 132.00 133.79 3k3k h PRO 7 Ca -0.44 -0.04 -0.06 0.00 0.11 0.00 0.00 66.00 65.56 3k3k h PRO 7 Cb 1.23 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 32.18 3k3k h PRO 7 CO 0.53 0.45 -0.08 0.93 -0.21 0.00 0.00 178.00 179.63 3k3k h GLU 8 N 0.71 0.54 -0.30 1.05 3.07 -1.99 -0.37 114.58 117.29 3k3k h GLU 8 Ca 0.48 -0.21 0.01 0.00 -0.50 0.00 0.00 59.36 59.14 3k3k h GLU 8 Cb 0.79 -0.03 -0.02 0.00 -0.84 0.00 0.00 28.75 28.66 3k3k h GLU 8 CO -0.24 0.76 0.17 0.93 -1.40 0.00 0.00 179.01 179.23 3k3k h GLU 9 N 0.29 0.35 -0.80 2.33 5.08 -1.80 -1.61 114.58 118.43 3k3k h GLU 9 Ca 0.07 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.38 3k3k h GLU 9 Cb 0.57 -0.08 -0.04 0.00 0.50 0.00 0.00 28.75 29.70 3k3k h GLU 9 CO 0.03 0.23 0.40 0.00 -1.00 0.00 0.00 179.01 178.68 3k3k h ARG 10 N 0.36 1.13 -0.47 2.33 3.08 -0.24 -1.30 114.38 119.27 3k3k h ARG 10 Ca 0.12 -0.15 -0.06 0.00 0.07 0.00 0.00 59.98 59.96 3k3k h ARG 10 Cb -0.00 -0.21 -0.02 0.00 0.08 0.00 0.00 29.97 29.82 3k3k h ARG 10 CO -0.05 0.85 0.05 0.77 -1.07 0.00 0.00 179.97 180.52 3k3k h SER 11 N 1.12 0.77 0.35 7.04 0.02 -0.81 -2.78 113.55 119.27 3k3k h SER 11 Ca 0.28 -0.28 -0.05 0.00 -0.84 0.00 0.00 61.79 60.90 3k3k h SER 11 Cb 0.08 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 62.40 3k3k h SER 11 CO -0.04 0.86 -0.24 -0.08 -1.14 0.00 0.00 176.83 176.19 3k3k h GLU 12 N 0.66 0.00 -0.01 3.45 4.57 -0.72 -2.75 114.58 119.79 3k3k h GLU 12 Ca 0.14 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.32 3k3k h GLU 12 Cb 0.43 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.02 3k3k h GLU 12 CO 0.01 0.24 -0.37 1.28 -1.18 0.00 0.00 179.01 179.00 3k3k n LEU 13 N -3.98 0.92 -0.04 1.64 4.77 -0.54 -4.52 117.00 115.25 3k3k n LEU 13 Ca -0.02 -0.22 -0.08 0.00 -0.03 0.00 0.00 56.01 55.66 3k3k n LEU 13 Cb 0.32 -0.15 -0.02 0.00 -2.33 0.00 0.00 43.42 41.24 3k3k n LEU 13 CO 0.35 0.18 0.77 0.11 -1.33 0.00 0.00 177.39 177.48 3k3k h LYS 14 N 0.87 -0.11 -0.88 3.23 1.57 -1.22 -0.96 116.57 119.08 3k3k h LYS 14 Ca 0.00 0.01 0.01 0.00 -1.87 0.00 0.00 60.65 58.80 3k3k h LYS 14 Cb 0.52 0.03 -0.04 0.00 0.08 0.00 0.00 32.23 32.81 3k3k h LYS 14 CO 0.00 -0.07 0.58 -0.91 -0.57 0.00 0.00 179.45 178.48 3k3k h ASN 15 N -0.11 1.00 -0.71 0.86 2.35 -1.81 -1.40 115.58 115.76 3k3k h ASN 15 Ca 0.12 -0.02 -0.04 0.00 -0.55 0.00 0.00 56.30 55.81 3k3k h ASN 15 Cb 0.30 -0.25 -0.03 0.00 0.05 0.00 0.00 38.32 38.39 3k3k h ASN 15 CO -0.29 0.72 0.29 0.28 -1.65 0.00 0.00 177.43 176.77 3k3k h SER 16 N 1.17 0.97 -0.35 5.81 0.02 -1.71 -1.08 113.55 118.38 3k3k h SER 16 Ca 0.33 -0.17 -0.05 0.00 -0.84 0.00 0.00 61.79 61.06 3k3k h SER 16 Cb -0.11 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.17 3k3k h SER 16 CO -0.08 0.88 0.02 0.40 -1.14 0.00 0.00 176.83 176.91 3k3k h ILE 17 N 1.01 1.25 -0.60 3.27 2.04 -0.93 0.13 117.51 123.68 3k3k h ILE 17 Ca 0.24 -0.93 0.06 0.00 1.00 0.00 0.00 64.86 65.23 3k3k h ILE 17 Cb 0.20 1.17 -0.05 0.00 -0.74 0.00 0.00 36.82 37.40 3k3k h ILE 17 CO -0.02 0.31 0.31 0.00 0.00 0.00 0.00 178.15 178.75 3k3k h ALA 18 N 0.87 0.79 0.06 1.87 0.00 -1.11 -0.63 119.26 121.12 3k3k h ALA 18 Ca 0.10 0.03 -0.27 0.00 0.00 0.00 0.00 54.91 54.77 3k3k h ALA 18 Cb 0.42 -0.07 0.02 0.00 0.00 0.00 0.00 17.79 18.16 3k3k h ALA 18 CO 0.01 -0.04 -1.12 1.49 0.00 0.00 0.00 179.25 179.59 3k3k h GLU 19 N 0.57 0.54 0.00 0.00 4.81 -0.93 -3.40 114.58 116.18 3k3k h GLU 19 Ca 0.28 -0.67 0.00 0.00 -0.13 0.00 0.00 59.36 58.84 3k3k h GLU 19 Cb 0.21 0.21 0.00 0.00 0.63 0.00 0.00 28.75 29.80 3k3k h GLU 19 CO -0.20 1.28 -0.84 1.19 -0.73 0.00 0.00 179.01 179.71 3k3k n PHE 20 N -3.76 0.00 -1.85 0.92 3.72 0.44 -4.78 117.46 112.15 3k3k n PHE 20 Ca -0.11 0.00 0.05 0.00 -0.05 0.00 0.00 57.45 57.35 3k3k n PHE 20 Cb 0.93 -0.03 0.12 0.00 -0.94 0.00 0.00 39.48 39.56 3k3k n PHE 20 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 176.76 177.43 3k3k n HIS 21 N -1.43 0.00 -4.51 1.38 8.25 -0.26 -4.87 115.22 113.78 3k3k n HIS 21 Ca -0.00 -0.93 -0.33 0.00 -0.26 0.00 0.00 57.72 56.20 3k3k n HIS 21 Cb 0.04 -0.18 -0.16 0.00 1.12 0.00 0.00 29.99 30.80 3k3k n HIS 21 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 3k3k s THR 22 N -1.79 2.05 0.15 1.59 2.01 -1.10 -4.90 115.64 113.64 3k3k s THR 22 Ca 0.31 -0.96 0.09 0.00 0.31 0.00 0.00 61.69 61.45 3k3k s THR 22 Cb 0.32 -1.82 -0.04 0.00 0.01 0.00 0.00 72.50 70.97 3k3k s THR 22 CO -0.08 0.54 -0.17 -0.31 -0.69 0.00 0.00 174.62 173.92 3k3k s TYR 23 N 0.96 2.52 -0.50 4.92 2.02 -1.26 -5.02 117.35 120.99 3k3k s TYR 23 Ca -0.04 -0.27 -0.21 0.00 -0.37 0.00 0.00 57.07 56.18 3k3k s TYR 23 Cb -0.15 -1.30 0.04 0.00 -0.40 0.00 0.00 41.96 40.16 3k3k s TYR 23 CO -0.05 0.44 0.74 -0.65 -1.57 0.00 0.00 175.55 174.46 3k3k s GLN 24 N -2.41 3.25 0.17 -0.62 -1.52 -1.26 -5.02 119.66 112.24 3k3k s GLN 24 Ca 0.20 -0.51 -0.30 0.00 -1.95 0.00 0.00 55.36 52.80 3k3k s GLN 24 Cb -0.10 -4.04 -0.07 0.00 -0.22 0.00 0.00 33.01 28.58 3k3k s GLN 24 CO 0.11 -1.25 1.05 -0.51 -0.25 0.00 0.00 175.29 174.45 3k3k s LEU 25 N 3.13 4.50 0.29 2.90 1.43 -1.26 -5.02 118.68 124.67 3k3k s LEU 25 Ca 0.23 2.00 -0.28 0.00 -1.03 0.00 0.00 54.13 55.05 3k3k s LEU 25 Cb -0.15 -3.60 -0.09 0.00 0.03 0.00 0.00 46.19 42.37 3k3k s LEU 25 CO 0.17 -0.15 0.97 -1.81 0.23 0.00 0.00 176.35 175.75 3k3k s ASP 26 N -0.17 7.40 0.05 2.29 1.01 -1.26 -4.99 116.67 120.99 3k3k s ASP 26 Ca 0.48 1.94 -0.38 0.00 0.71 0.00 0.00 52.55 55.30 3k3k s ASP 26 Cb -0.28 -2.60 -0.18 0.00 1.01 0.00 0.00 42.92 40.88 3k3k s ASP 26 CO 0.33 -0.03 1.18 -2.65 0.21 0.00 0.00 175.17 174.22 3k3k n PRO 27 N 0.91 0.54 -1.75 8.23 -0.02 -1.26 -1.06 135.00 140.60 3k3k n PRO 27 Ca 0.00 0.20 -0.05 0.00 -2.02 0.00 0.00 63.50 61.63 3k3k n PRO 27 Cb 0.48 -1.75 -0.01 0.00 -0.02 0.00 0.00 33.50 32.21 3k3k n PRO 27 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3k3k n GLY 28 N 1.97 0.39 3.75 -1.23 0.00 -1.26 -5.02 105.19 103.78 3k3k n GLY 28 Ca 0.19 -0.74 -0.24 0.00 0.00 0.00 0.00 46.02 45.24 3k3k n GLY 28 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3k3k s SER 29 N -2.84 4.59 0.07 1.61 1.04 -0.22 -1.27 113.70 116.68 3k3k s SER 29 Ca 0.00 -0.91 -0.04 0.00 0.48 0.00 0.00 55.95 55.48 3k3k s SER 29 Cb 0.00 -0.59 -0.03 0.00 0.10 0.00 0.00 66.02 65.50 3k3k s SER 29 CO 0.00 -0.44 0.06 0.00 0.98 0.00 0.00 173.24 173.84 3k3k s SER 31 N -2.91 1.05 0.01 0.00 0.15 -1.26 -1.14 113.70 109.60 3k3k s SER 31 Ca 0.08 -0.67 -0.01 0.00 0.70 0.00 0.00 55.95 56.05 3k3k s SER 31 Cb 0.07 0.04 -0.01 0.00 -1.71 0.00 0.00 66.02 64.40 3k3k s SER 31 CO -0.09 -0.25 -0.01 -0.55 1.20 0.00 0.00 173.24 173.54 3k3k s SER 32 N -1.96 0.14 -0.10 5.45 0.15 -0.74 -4.99 113.70 111.65 3k3k s SER 32 Ca -0.03 -0.29 0.01 0.00 0.70 0.00 0.00 55.95 56.33 3k3k s SER 32 Cb -0.06 0.08 0.02 0.00 -1.71 0.00 0.00 66.02 64.34 3k3k s SER 32 CO -0.00 -0.20 -0.12 -0.22 1.20 0.00 0.00 173.24 173.90 3k3k s LEU 33 N -0.93 1.55 0.13 3.45 2.96 -1.26 -1.42 118.68 123.15 3k3k s LEU 33 Ca -0.10 -0.36 0.09 0.00 -0.22 0.00 0.00 54.13 53.55 3k3k s LEU 33 Cb -0.06 -0.94 -0.04 0.00 0.50 0.00 0.00 46.19 45.64 3k3k s LEU 33 CO -0.00 -0.02 -0.19 -1.00 -1.32 0.00 0.00 176.35 173.81 3k3k s HIS 34 N 1.12 2.50 0.05 5.38 3.76 0.61 -5.00 115.29 123.71 3k3k s HIS 34 Ca -0.05 -0.28 0.04 0.00 -0.15 0.00 0.00 55.06 54.61 3k3k s HIS 34 Cb -0.14 -1.32 -0.02 0.00 1.11 0.00 0.00 32.58 32.21 3k3k s HIS 34 CO -0.02 0.40 -0.11 0.00 -0.85 0.00 0.00 174.74 174.15 3k3k s ALA 35 N -1.20 0.86 -0.06 -1.40 0.00 -1.26 -1.13 121.76 117.57 3k3k s ALA 35 Ca 0.18 -0.81 -0.03 0.00 0.00 0.00 0.00 51.96 51.31 3k3k s ALA 35 Cb -0.10 -0.06 0.04 0.00 0.00 0.00 0.00 23.12 23.00 3k3k s ALA 35 CO 0.10 0.10 0.11 -1.14 0.00 0.00 0.00 175.76 174.92 3k3k s GLN 36 N -1.42 -0.02 0.23 0.00 2.00 -0.15 -4.99 119.66 115.31 3k3k s GLN 36 Ca -0.04 0.47 -0.30 0.00 -2.00 0.00 0.00 55.36 53.49 3k3k s GLN 36 Cb -0.09 -0.39 -0.09 0.00 0.80 0.00 0.00 33.01 33.24 3k3k s GLN 36 CO 0.01 -0.32 0.93 0.50 -0.50 0.00 0.00 175.29 175.91 3k3k s ARG 37 N 2.23 4.83 -0.07 1.67 3.52 -1.26 -0.81 118.95 129.07 3k3k s ARG 37 Ca 0.04 1.47 -0.00 0.00 -0.13 0.00 0.00 55.73 57.11 3k3k s ARG 37 Cb -0.12 -3.28 0.02 0.00 -1.56 0.00 0.00 34.95 30.01 3k3k s ARG 37 CO -0.04 0.51 -0.03 0.42 -0.81 0.00 0.00 175.30 175.34 3k3k s ILE 38 N -1.12 0.56 -1.29 4.11 1.01 0.93 -4.94 121.20 120.46 3k3k s ILE 38 Ca 0.41 -0.06 -0.13 0.00 0.00 0.00 0.00 60.65 60.87 3k3k s ILE 38 Cb -0.26 -0.64 0.13 0.00 0.01 0.00 0.00 42.46 41.70 3k3k s ILE 38 CO 0.32 0.27 1.76 1.41 0.00 0.00 0.00 174.94 178.69 3k3k n HIS 39 N 4.64 4.09 -3.55 3.97 8.25 -1.26 -1.18 115.22 130.18 3k3k n HIS 39 Ca -0.15 -3.03 -0.09 0.00 -0.26 0.00 0.00 57.72 54.19 3k3k n HIS 39 Cb 0.50 -2.27 -0.02 0.00 1.12 0.00 0.00 29.99 29.33 3k3k n HIS 39 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3k3k s ALA 40 N 2.02 -1.67 0.34 -1.41 0.00 -1.26 -4.64 121.76 115.13 3k3k s ALA 40 Ca 0.45 0.59 -0.28 0.00 0.00 0.00 0.00 51.96 52.72 3k3k s ALA 40 Cb 0.05 0.63 -0.10 0.00 0.00 0.00 0.00 23.12 23.71 3k3k s ALA 40 CO 0.00 -0.80 1.25 -2.14 0.00 0.00 0.00 175.76 174.07 3k3k s PRO 41 N -3.41 4.33 0.53 0.00 0.02 -1.26 -3.58 135.00 131.63 3k3k s PRO 41 Ca 0.05 2.09 0.18 0.00 0.02 0.00 0.00 61.00 63.35 3k3k s PRO 41 Cb -0.01 -3.01 1.36 0.00 0.02 0.00 0.00 34.50 32.85 3k3k s PRO 41 CO -0.07 -0.16 2.17 -1.00 -0.33 0.00 0.00 177.00 177.60 3k3k h PRO 42 N 3.29 0.00 -0.37 5.54 0.13 -1.89 -1.92 132.00 136.78 3k3k h PRO 42 Ca -0.49 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.63 3k3k h PRO 42 Cb 1.23 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.34 3k3k h PRO 42 CO 0.65 0.00 0.18 0.93 -0.23 0.00 0.00 178.00 179.53 3k3k h GLU 43 N 0.00 0.53 0.01 0.86 3.07 -1.98 0.14 114.58 117.21 3k3k h GLU 43 Ca 0.00 -0.08 -0.00 0.00 -0.50 0.00 0.00 59.36 58.78 3k3k h GLU 43 Cb 0.00 -0.10 0.00 0.00 -0.84 0.00 0.00 28.75 27.82 3k3k h GLU 43 CO -0.00 0.48 -0.00 1.25 -1.40 0.00 0.00 179.01 179.33 3k3k h LEU 44 N 0.46 -0.01 -0.14 1.33 5.85 -1.76 -1.15 115.31 119.89 3k3k h LEU 44 Ca 0.13 -0.04 0.04 0.00 0.84 0.00 0.00 57.88 58.84 3k3k h LEU 44 Cb 0.12 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.11 3k3k h LEU 44 CO -0.02 0.03 -0.09 0.58 -0.34 0.00 0.00 178.44 178.61 3k3k h VAL 45 N -0.06 0.73 -0.62 1.05 2.07 -1.07 -2.38 116.25 115.98 3k3k h VAL 45 Ca -0.00 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.51 3k3k h VAL 45 Cb 0.05 0.73 -0.03 0.00 -1.52 0.00 0.00 31.29 30.52 3k3k h VAL 45 CO 0.00 0.00 0.37 -0.25 0.02 0.00 0.00 177.57 177.71 3k3k h TRP 46 N -0.09 0.81 0.00 1.57 2.91 -0.59 -1.05 115.95 119.52 3k3k h TRP 46 Ca 0.08 0.00 -0.01 0.00 1.13 0.00 0.00 58.89 60.10 3k3k h TRP 46 Cb 0.21 -0.27 -0.00 0.00 -0.51 0.00 0.00 29.16 28.59 3k3k h TRP 46 CO -0.22 0.55 -0.04 0.66 -1.03 0.00 0.00 178.44 178.36 3k3k h SER 47 N 0.85 0.00 0.06 2.65 4.64 -0.68 -0.41 113.55 120.67 3k3k h SER 47 Ca 0.22 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.54 3k3k h SER 47 Cb -0.02 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.07 3k3k h SER 47 CO -0.04 0.04 -0.03 0.40 -0.87 0.00 0.00 176.83 176.33 3k3k h ILE 48 N 0.00 0.77 -0.79 0.95 2.04 -1.04 -3.37 117.51 116.07 3k3k h ILE 48 Ca -0.00 -1.43 0.11 0.00 1.00 0.00 0.00 64.86 64.54 3k3k h ILE 48 Cb 0.08 1.41 -0.05 0.00 -0.74 0.00 0.00 36.82 37.51 3k3k h ILE 48 CO 0.00 0.24 0.51 0.58 0.00 0.00 0.00 178.15 179.49 3k3k h VAL 49 N -0.97 0.91 0.00 1.67 2.07 -1.06 -2.72 116.25 116.14 3k3k h VAL 49 Ca -0.01 -0.23 0.00 0.00 0.82 0.00 0.00 66.70 67.28 3k3k h VAL 49 Cb 0.46 0.19 0.00 0.00 -1.52 0.00 0.00 31.29 30.43 3k3k h VAL 49 CO 0.01 0.12 0.00 -2.11 0.02 0.00 0.00 177.57 175.61 3k3k n ARG 50 N -4.51 0.21 -2.51 1.57 1.85 -0.19 -4.59 116.66 108.50 3k3k n ARG 50 Ca 0.14 0.24 -0.40 0.00 -1.00 0.00 0.00 57.85 56.83 3k3k n ARG 50 Cb 0.37 -1.78 -0.02 0.00 -1.05 0.00 0.00 32.46 29.98 3k3k n ARG 50 CO 0.00 0.00 0.00 1.03 -0.01 0.00 0.00 177.63 178.65 3k3k s ARG 51 N -3.14 3.60 0.46 2.89 1.81 -1.03 -4.81 118.95 118.74 3k3k s ARG 51 Ca 0.09 -1.33 0.18 0.00 -1.72 0.00 0.00 55.73 52.95 3k3k s ARG 51 Cb 0.12 -5.39 1.15 0.00 -0.45 0.00 0.00 34.95 30.38 3k3k s ARG 51 CO 0.54 -2.38 1.98 0.35 -0.68 0.00 0.00 175.30 175.11 3k3k h PHE 52 N 9.22 0.31 0.00 -0.53 3.57 -1.88 -1.52 116.94 126.10 3k3k h PHE 52 Ca 0.27 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.78 3k3k h PHE 52 Cb 0.96 -0.10 0.00 0.00 2.79 0.00 0.00 35.95 39.61 3k3k h PHE 52 CO 1.32 0.13 0.00 -0.40 -2.23 0.00 0.00 178.31 177.13 3k3k n ASP 53 N -4.45 0.00 -2.98 0.41 5.75 -1.26 -4.32 116.55 109.70 3k3k n ASP 53 Ca 0.10 0.31 -0.20 0.00 -0.01 0.00 0.00 54.79 54.99 3k3k n ASP 53 Cb 0.47 -0.44 -0.02 0.00 -1.03 0.00 0.00 41.12 40.10 3k3k n ASP 53 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 3k3k n LYS 54 N -1.44 1.93 0.27 0.11 4.76 -0.57 -4.81 118.16 118.40 3k3k n LYS 54 Ca 0.09 -3.93 0.10 0.00 -2.87 0.00 0.00 58.31 51.70 3k3k n LYS 54 Cb 0.30 -1.87 0.72 0.00 -1.84 0.00 0.00 35.03 32.34 3k3k n LYS 54 CO 0.00 0.00 0.00 -1.00 -1.37 0.00 0.00 177.40 175.03 3k3k h PRO 55 N 2.96 0.00 0.00 1.97 0.13 -1.75 -2.72 132.00 132.59 3k3k h PRO 55 Ca 0.10 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.23 3k3k h PRO 55 Cb 0.84 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.97 3k3k h PRO 55 CO 0.63 0.05 0.00 0.00 -0.23 0.00 0.00 178.00 178.46 3k3k n GLN 56 N -4.15 0.12 0.15 0.86 0.00 -1.26 -1.14 117.38 111.96 3k3k n GLN 56 Ca -0.03 0.49 0.03 0.00 0.00 0.00 0.00 57.00 57.48 3k3k n GLN 56 Cb 0.14 -1.80 0.39 0.00 0.00 0.00 0.00 30.24 28.96 3k3k n GLN 56 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.06 178.21 3k3k h THR 57 N 0.00 1.20 0.00 -0.39 2.02 -1.90 -3.32 112.91 110.53 3k3k h THR 57 Ca 0.00 -0.94 0.00 0.00 0.77 0.00 0.00 66.41 66.24 3k3k h THR 57 Cb 0.17 1.40 0.00 0.00 -1.74 0.00 0.00 68.15 67.98 3k3k h THR 57 CO 0.00 0.28 -0.01 0.00 0.37 0.00 0.00 175.52 176.16 3k3k n TYR 58 N -4.22 0.00 -4.15 3.16 0.18 -0.63 -4.88 117.16 106.62 3k3k n TYR 58 Ca -0.01 0.00 -0.29 0.00 1.88 0.00 0.00 57.90 59.47 3k3k n TYR 58 Cb 0.32 0.00 -0.08 0.00 -0.38 0.00 0.00 39.34 39.19 3k3k n TYR 58 CO 0.00 0.00 0.00 0.15 -2.08 0.00 0.00 176.86 174.93 3k3k s LYS 59 N -0.73 2.47 0.30 -3.48 1.02 -0.29 -3.99 119.74 115.04 3k3k s LYS 59 Ca 0.00 -0.91 -0.07 0.00 0.02 0.00 0.00 55.97 55.02 3k3k s LYS 59 Cb 0.00 -2.48 -0.06 0.00 -0.52 0.00 0.00 37.83 34.77 3k3k s LYS 59 CO 0.00 0.52 0.59 -1.01 -0.92 0.00 0.00 175.35 174.53 3k3k s HIS 60 N -1.37 3.47 -0.26 3.18 3.76 -1.26 -4.50 115.29 118.30 3k3k s HIS 60 Ca 0.26 0.74 0.00 0.00 -0.15 0.00 0.00 55.06 55.91 3k3k s HIS 60 Cb -0.11 -2.19 0.00 0.00 1.11 0.00 0.00 32.58 31.39 3k3k s HIS 60 CO 0.18 0.14 0.00 1.19 -0.85 0.00 0.00 174.74 175.40 3k3k n PHE 61 N -0.88 0.00 -3.27 1.40 3.72 -1.26 -5.00 117.46 112.17 3k3k n PHE 61 Ca -0.01 0.00 -0.40 0.00 -0.05 0.00 0.00 57.45 57.00 3k3k n PHE 61 Cb 0.54 -0.80 -0.08 0.00 -0.94 0.00 0.00 39.48 38.20 3k3k n PHE 61 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 176.76 177.13 3k3k s ILE 62 N -2.02 5.09 -0.09 4.37 1.01 -1.26 -0.33 121.20 127.97 3k3k s ILE 62 Ca 0.00 0.82 -0.26 0.00 0.00 0.00 0.00 60.65 61.22 3k3k s ILE 62 Cb 0.00 -3.80 -0.28 0.00 0.01 0.00 0.00 42.46 38.39 3k3k s ILE 62 CO 0.00 0.10 0.85 0.50 0.00 0.00 0.00 174.94 176.39 3k3k h LYS 63 N 8.03 0.13 -3.03 2.79 3.64 -0.75 -3.47 116.57 123.91 3k3k h LYS 63 Ca -0.30 -0.22 -0.02 0.00 -1.27 0.00 0.00 60.65 58.85 3k3k h LYS 63 Cb 1.14 0.08 -0.12 0.00 -0.41 0.00 0.00 32.23 32.92 3k3k h LYS 63 CO 0.70 1.08 0.19 -1.54 -2.27 0.00 0.00 179.45 177.62 3k3k s SER 64 N -6.52 -0.54 -0.06 4.20 1.04 -1.17 -5.01 113.70 105.65 3k3k s SER 64 Ca -0.17 -0.04 0.00 0.00 0.48 0.00 0.00 55.95 56.22 3k3k s SER 64 Cb -0.01 0.60 0.02 0.00 0.10 0.00 0.00 66.02 66.73 3k3k s SER 64 CO 0.75 -0.97 -0.04 0.00 0.98 0.00 0.00 173.24 173.96 3k3k s SER 66 N 1.35 2.93 0.39 0.00 1.04 -0.43 -4.97 113.70 114.01 3k3k s SER 66 Ca -0.04 -0.45 0.04 0.00 0.48 0.00 0.00 55.95 55.97 3k3k s SER 66 Cb -0.13 -0.34 -0.03 0.00 0.10 0.00 0.00 66.02 65.61 3k3k s SER 66 CO -0.02 0.31 0.10 0.68 0.98 0.00 0.00 173.24 175.28 3k3k s VAL 67 N -0.58 0.78 0.64 5.02 -7.23 -1.26 -1.42 120.40 116.36 3k3k s VAL 67 Ca 0.09 -2.00 -0.18 0.00 -1.81 0.00 0.00 61.98 58.09 3k3k s VAL 67 Cb -0.10 -2.45 -0.01 0.00 0.56 0.00 0.00 36.38 34.38 3k3k s VAL 67 CO -0.01 0.00 1.24 -1.83 -0.31 0.00 0.00 175.10 174.19 3k3k s GLU 68 N -3.77 2.65 0.16 4.82 -1.05 -1.26 -4.90 118.70 115.34 3k3k s GLU 68 Ca 0.26 1.91 -0.31 0.00 -0.15 0.00 0.00 54.97 56.68 3k3k s GLU 68 Cb 0.04 -1.88 -0.07 0.00 -0.44 0.00 0.00 34.13 31.79 3k3k s GLU 68 CO 0.14 -1.48 1.54 1.96 0.95 0.00 0.00 175.26 178.37 3k3k h GLN 69 N 0.53 -0.05 -2.01 -4.83 7.50 -2.02 -0.34 115.11 113.90 3k3k h GLN 69 Ca -0.50 0.00 -0.68 0.00 0.50 0.00 0.00 58.65 57.97 3k3k h GLN 69 Cb 1.31 0.01 -0.35 0.00 0.05 0.00 0.00 27.48 28.50 3k3k h GLN 69 CO 0.53 -0.03 0.07 0.09 -1.50 0.00 0.00 178.83 177.99 3k3k n ASN 70 N -5.27 5.84 -2.01 1.46 3.02 -1.26 -5.05 115.26 111.99 3k3k n ASN 70 Ca 0.02 -3.73 -0.28 0.00 -0.03 0.00 0.00 54.58 50.55 3k3k n ASN 70 Cb 0.27 -0.78 -0.05 0.00 -0.61 0.00 0.00 39.78 38.61 3k3k n ASN 70 CO 0.00 0.00 0.00 0.33 -2.62 0.00 0.00 177.26 174.97 3k3k n PHE 71 N -0.33 0.61 -3.82 3.10 7.35 -0.14 -4.99 117.46 119.24 3k3k n PHE 71 Ca 0.42 0.40 -0.36 0.00 -0.76 0.00 0.00 57.45 57.15 3k3k n PHE 71 Cb 0.40 -1.04 -0.13 0.00 0.35 0.00 0.00 39.48 39.06 3k3k n PHE 71 CO 0.00 0.00 0.00 -2.00 -0.76 0.00 0.00 176.76 174.00 3k3k s GLU 72 N 2.33 3.37 -0.39 -4.13 2.56 -1.26 -5.08 118.70 116.10 3k3k s GLU 72 Ca 0.53 -0.65 -0.29 0.00 0.00 0.00 0.00 54.97 54.56 3k3k s GLU 72 Cb -0.68 -3.20 0.00 0.00 2.00 0.00 0.00 34.13 32.25 3k3k s GLU 72 CO 0.32 -0.27 1.52 1.41 -0.56 0.00 0.00 175.26 177.68 3k3k s MET 73 N 1.52 3.51 0.03 4.30 -2.45 -1.26 -4.89 119.30 120.06 3k3k s MET 73 Ca 0.05 1.06 -0.14 0.00 -1.25 0.00 0.00 55.69 55.41 3k3k s MET 73 Cb -0.15 -4.07 0.02 0.00 1.25 0.00 0.00 34.83 31.88 3k3k s MET 73 CO 0.00 -1.65 0.32 -0.98 1.05 0.00 0.00 175.02 173.76 3k3k s ARG 74 N 5.14 0.79 0.08 4.11 1.70 -1.26 -5.09 118.95 124.42 3k3k s ARG 74 Ca 0.66 -0.42 -0.37 0.00 -0.47 0.00 0.00 55.73 55.14 3k3k s ARG 74 Cb -0.16 0.34 -0.18 0.00 -0.57 0.00 0.00 34.95 34.39 3k3k s ARG 74 CO 0.33 -0.25 1.18 0.28 -1.08 0.00 0.00 175.30 175.77 3k3k n VAL 75 N 0.73 0.26 0.00 4.99 0.31 -1.26 -1.24 118.33 122.11 3k3k n VAL 75 Ca -0.19 -0.06 0.00 0.00 -0.01 0.00 0.00 64.34 64.07 3k3k n VAL 75 Cb 0.59 -0.52 0.00 0.00 -0.91 0.00 0.00 33.84 32.99 3k3k n VAL 75 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3k3k n GLY 76 N 2.08 2.12 3.78 2.92 0.00 0.66 -5.02 105.19 111.74 3k3k n GLY 76 Ca 0.18 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.89 3k3k n GLY 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3k3k s THR 78 N -2.76 1.92 0.04 0.00 -4.23 -1.26 -0.45 115.64 108.90 3k3k s THR 78 Ca 0.62 -2.20 -0.04 0.00 -1.18 0.00 0.00 61.69 58.89 3k3k s THR 78 Cb -0.17 -2.42 -0.02 0.00 1.34 0.00 0.00 72.50 71.23 3k3k s THR 78 CO 0.51 -0.33 0.06 0.00 -0.54 0.00 0.00 174.62 174.32 3k3k s ARG 79 N -3.66 0.58 -0.24 3.99 1.70 -0.09 -4.55 118.95 116.69 3k3k s ARG 79 Ca 0.29 -0.86 -0.03 0.00 -0.47 0.00 0.00 55.73 54.65 3k3k s ARG 79 Cb 0.02 0.22 0.00 0.00 -0.57 0.00 0.00 34.95 34.62 3k3k s ARG 79 CO 0.13 -0.14 -0.04 -0.51 -1.08 0.00 0.00 175.30 173.66 3k3k s ASP 80 N -2.30 4.34 -0.17 -2.89 1.11 -0.50 -1.13 116.67 115.13 3k3k s ASP 80 Ca -0.03 -0.57 -0.04 0.00 0.18 0.00 0.00 52.55 52.09 3k3k s ASP 80 Cb 0.01 -1.72 -0.03 0.00 1.07 0.00 0.00 42.92 42.25 3k3k s ASP 80 CO -0.06 -0.07 -0.03 -0.69 1.18 0.00 0.00 175.17 175.50 3k3k s VAL 81 N 1.43 3.90 -0.26 -1.27 1.01 -0.39 -1.31 120.40 123.50 3k3k s VAL 81 Ca 0.04 -0.35 -0.08 0.00 0.00 0.00 0.00 61.98 61.59 3k3k s VAL 81 Cb -0.15 -2.72 -0.03 0.00 0.00 0.00 0.00 36.38 33.48 3k3k s VAL 81 CO -0.03 0.48 0.09 -0.63 0.00 0.00 0.00 175.10 175.00 3k3k s ILE 82 N 0.53 4.38 0.02 2.22 1.01 -0.43 -1.10 121.20 127.83 3k3k s ILE 82 Ca -0.03 -0.21 0.05 0.00 0.00 0.00 0.00 60.65 60.47 3k3k s ILE 82 Cb -0.14 -3.08 -0.03 0.00 0.01 0.00 0.00 42.46 39.21 3k3k s ILE 82 CO 0.03 0.29 -0.12 0.68 0.00 0.00 0.00 174.94 175.82 3k3k s VAL 83 N 1.62 3.25 -0.20 2.92 -7.23 0.10 0.02 120.40 120.88 3k3k s VAL 83 Ca 0.06 -0.94 0.15 0.00 -1.81 0.00 0.00 61.98 59.44 3k3k s VAL 83 Cb -0.15 -2.39 0.46 0.00 0.56 0.00 0.00 36.38 34.86 3k3k s VAL 83 CO 0.04 0.38 1.35 2.30 -0.31 0.00 0.00 175.10 178.87 3k3k n ILE 84 N 1.60 2.25 0.65 -0.62 -6.64 0.55 -1.66 119.36 115.49 3k3k n ILE 84 Ca -0.16 -2.27 0.13 0.00 -1.77 0.00 0.00 62.75 58.68 3k3k n ILE 84 Cb 0.52 -0.27 0.44 0.00 -1.44 0.00 0.00 39.64 38.90 3k3k n ILE 84 CO 0.00 0.00 0.00 -1.54 -1.77 0.00 0.00 176.55 173.24 3k3k n SER 85 N -0.93 0.67 -4.55 7.28 3.41 -1.26 -4.64 113.62 113.60 3k3k n SER 85 Ca 0.23 0.57 -0.34 0.00 -0.26 0.00 0.00 58.87 59.08 3k3k n SER 85 Cb 0.85 -0.75 -0.12 0.00 -0.26 0.00 0.00 64.21 63.94 3k3k n SER 85 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 3k3k s GLY 86 N -3.48 1.67 -0.25 5.00 0.00 -1.26 -5.12 107.32 103.88 3k3k s GLY 86 Ca 0.10 -0.89 0.03 0.00 0.00 0.00 0.00 44.72 43.95 3k3k s GLY 86 CO 0.56 -0.59 -0.12 1.08 0.00 0.00 0.00 173.10 174.03 3k3k s LEU 87 N -0.62 3.21 0.77 0.66 1.43 -1.26 -2.51 118.68 120.35 3k3k s LEU 87 Ca 0.09 -1.29 -0.11 0.00 -1.03 0.00 0.00 54.13 51.79 3k3k s LEU 87 Cb -0.12 -1.51 0.06 0.00 0.03 0.00 0.00 46.19 44.66 3k3k s LEU 87 CO 0.02 -0.17 1.14 -2.16 0.23 0.00 0.00 176.35 175.41 3k3k s PRO 88 N 1.15 2.24 0.34 1.29 0.04 -1.26 -5.12 135.00 133.69 3k3k s PRO 88 Ca -0.07 0.18 -0.27 0.00 0.04 0.00 0.00 61.00 60.87 3k3k s PRO 88 Cb -0.19 -1.99 -0.12 0.00 0.04 0.00 0.00 34.50 32.24 3k3k s PRO 88 CO -0.06 -1.40 1.17 0.00 0.04 0.00 0.00 177.00 176.74 3k3k n ALA 89 N -3.19 0.71 -2.74 8.56 0.00 -1.05 -5.01 120.51 117.80 3k3k n ALA 89 Ca 0.08 0.34 -0.33 0.00 0.00 0.00 0.00 53.44 53.53 3k3k n ALA 89 Cb 0.60 -2.16 -0.08 0.00 0.00 0.00 0.00 19.45 17.81 3k3k n ALA 89 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 3k3k s ASN 90 N -0.46 5.46 -0.16 0.00 0.02 -0.66 -4.93 114.94 114.21 3k3k s ASN 90 Ca 0.58 0.10 -0.05 0.00 -1.02 0.00 0.00 52.86 52.47 3k3k s ASN 90 Cb -0.60 -1.52 -0.03 0.00 0.02 0.00 0.00 41.25 39.12 3k3k s ASN 90 CO 0.61 0.29 0.00 -0.89 0.02 0.00 0.00 177.10 177.12 3k3k s THR 91 N -1.13 4.25 -0.06 1.60 2.01 -1.26 -0.72 115.64 120.33 3k3k s THR 91 Ca 0.21 -0.23 0.05 0.00 0.31 0.00 0.00 61.69 62.03 3k3k s THR 91 Cb -0.12 -2.88 -0.01 0.00 0.01 0.00 0.00 72.50 69.51 3k3k s THR 91 CO 0.11 0.49 -0.23 -0.44 -0.69 0.00 0.00 174.62 173.86 3k3k s SER 92 N 0.28 2.89 -0.20 3.53 0.01 -0.26 -1.36 113.70 118.58 3k3k s SER 92 Ca -0.00 -0.49 -0.11 0.00 1.31 0.00 0.00 55.95 56.66 3k3k s SER 92 Cb -0.13 -0.89 -0.05 0.00 0.21 0.00 0.00 66.02 65.16 3k3k s SER 92 CO 0.02 0.21 0.18 -0.89 0.41 0.00 0.00 173.24 173.17 3k3k s THR 93 N -0.03 5.37 0.01 1.44 2.01 0.27 -1.26 115.64 123.44 3k3k s THR 93 Ca -0.06 0.28 0.08 0.00 0.31 0.00 0.00 61.69 62.29 3k3k s THR 93 Cb -0.14 -3.52 -0.02 0.00 0.01 0.00 0.00 72.50 68.83 3k3k s THR 93 CO 0.04 0.40 -0.23 -1.61 -0.69 0.00 0.00 174.62 172.53 3k3k s GLU 94 N 0.59 1.70 -0.10 4.92 2.02 -0.28 -0.08 118.70 127.47 3k3k s GLU 94 Ca 0.10 -0.90 -0.00 0.00 0.02 0.00 0.00 54.97 54.18 3k3k s GLU 94 Cb -0.12 -1.73 -0.03 0.00 0.10 0.00 0.00 34.13 32.35 3k3k s GLU 94 CO 0.01 0.46 -0.08 0.50 0.02 0.00 0.00 175.26 176.17 3k3k s ARG 95 N -0.85 3.07 -0.28 1.61 3.52 -0.17 -0.92 118.95 124.92 3k3k s ARG 95 Ca 0.09 -0.58 -0.29 0.00 -0.13 0.00 0.00 55.73 54.82 3k3k s ARG 95 Cb -0.09 -2.66 -0.01 0.00 -1.56 0.00 0.00 34.95 30.64 3k3k s ARG 95 CO 0.00 0.48 1.46 -1.17 -0.81 0.00 0.00 175.30 175.26 3k3k s LEU 96 N -0.30 3.83 -0.09 -0.88 2.96 0.40 -1.87 118.68 122.73 3k3k s LEU 96 Ca 0.04 1.32 0.11 0.00 -0.22 0.00 0.00 54.13 55.38 3k3k s LEU 96 Cb -0.13 -3.54 -0.24 0.00 0.50 0.00 0.00 46.19 42.79 3k3k s LEU 96 CO 0.02 -1.22 0.47 0.47 -1.32 0.00 0.00 176.35 174.78 3k3k n ASP 97 N 8.20 0.90 -3.72 3.68 8.00 0.31 -0.25 116.55 133.67 3k3k n ASP 97 Ca 0.17 0.28 -0.12 0.00 0.71 0.00 0.00 54.79 55.83 3k3k n ASP 97 Cb 0.46 0.04 -0.11 0.00 -0.02 0.00 0.00 41.12 41.49 3k3k n ASP 97 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3k3k s ILE 98 N -2.57 -0.02 -0.23 0.53 1.01 -1.14 -4.85 121.20 113.94 3k3k s ILE 98 Ca -0.09 0.06 -0.03 0.00 0.00 0.00 0.00 60.65 60.59 3k3k s ILE 98 Cb 0.07 -0.56 0.11 0.00 0.01 0.00 0.00 42.46 42.09 3k3k s ILE 98 CO 0.81 0.02 0.25 -0.22 0.00 0.00 0.00 174.94 175.80 3k3k s LEU 99 N 0.90 -0.16 -0.29 2.97 2.96 -1.26 -2.01 118.68 121.79 3k3k s LEU 99 Ca -0.06 -0.35 0.03 0.00 -0.22 0.00 0.00 54.13 53.53 3k3k s LEU 99 Cb -0.06 0.44 0.08 0.00 0.50 0.00 0.00 46.19 47.15 3k3k s LEU 99 CO -0.07 -0.34 -0.01 -0.62 -1.32 0.00 0.00 176.35 173.98 3k3k s ASP 100 N 2.34 4.42 0.43 3.68 -1.08 0.24 -4.97 116.67 121.73 3k3k s ASP 100 Ca 0.08 -1.69 0.24 0.00 -0.52 0.00 0.00 52.55 50.66 3k3k s ASP 100 Cb -0.15 -1.44 0.75 0.00 -1.46 0.00 0.00 42.92 40.61 3k3k s ASP 100 CO -0.18 -0.30 1.75 0.44 0.52 0.00 0.00 175.17 177.40 3k3k h ASP 101 N 7.77 0.00 0.05 -0.34 3.32 -1.97 0.23 116.42 125.48 3k3k h ASP 101 Ca -0.12 0.00 -0.25 0.00 0.02 0.00 0.00 57.03 56.68 3k3k h ASP 101 Cb 1.04 0.00 0.02 0.00 0.22 0.00 0.00 39.33 40.60 3k3k h ASP 101 CO 0.48 0.21 -0.97 -0.33 -1.72 0.00 0.00 179.24 176.90 3k3k h GLU 102 N 0.00 0.66 -0.01 3.56 4.39 -1.97 -3.31 114.58 117.90 3k3k h GLU 102 Ca -0.00 -0.67 0.00 0.00 0.34 0.00 0.00 59.36 59.03 3k3k h GLU 102 Cb 0.86 0.18 0.00 0.00 -0.10 0.00 0.00 28.75 29.69 3k3k h GLU 102 CO 0.03 1.26 -0.44 0.54 -1.16 0.00 0.00 179.01 179.24 3k3k n ARG 103 N -3.85 1.35 -3.20 2.33 1.74 -1.17 -5.00 116.66 108.86 3k3k n ARG 103 Ca -0.09 -0.91 -0.15 0.00 -0.77 0.00 0.00 57.85 55.93 3k3k n ARG 103 Cb 0.85 -1.41 0.07 0.00 -1.02 0.00 0.00 32.46 30.95 3k3k n ARG 103 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3k3k n ARG 104 N -0.10 -3.05 -4.59 5.56 1.74 0.78 -4.74 116.66 112.26 3k3k n ARG 104 Ca 0.08 0.82 -0.24 0.00 -0.77 0.00 0.00 57.85 57.74 3k3k n ARG 104 Cb 0.42 -5.64 -0.16 0.00 -1.02 0.00 0.00 32.46 26.06 3k3k n ARG 104 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3k3k s VAL 105 N -3.36 1.12 0.16 1.55 1.01 -0.98 -1.70 120.40 118.19 3k3k s VAL 105 Ca 0.34 -0.49 0.00 0.00 0.00 0.00 0.00 61.98 61.83 3k3k s VAL 105 Cb -0.04 -1.01 -0.04 0.00 0.00 0.00 0.00 36.38 35.29 3k3k s VAL 105 CO 0.70 0.34 0.03 0.28 0.00 0.00 0.00 175.10 176.46 3k3k s THR 106 N 0.49 0.41 -0.11 3.92 -1.32 -0.45 -0.59 115.64 117.99 3k3k s THR 106 Ca -0.11 -1.95 -0.30 0.00 -1.21 0.00 0.00 61.69 58.12 3k3k s THR 106 Cb -0.14 -2.11 0.12 0.00 -1.51 0.00 0.00 72.50 68.86 3k3k s THR 106 CO 0.03 -0.45 0.98 -0.83 -2.21 0.00 0.00 174.62 172.14 3k3k s GLY 107 N -3.12 -0.34 0.13 6.08 0.00 -0.85 -0.43 107.32 108.79 3k3k s GLY 107 Ca 0.25 1.62 -0.05 0.00 0.00 0.00 0.00 44.72 46.54 3k3k s GLY 107 CO 0.03 0.73 0.16 -0.11 0.00 0.00 0.00 173.10 173.91 3k3k s PHE 108 N -1.96 0.57 0.10 1.90 -0.12 0.34 -0.53 117.98 118.28 3k3k s PHE 108 Ca 0.02 -0.96 0.05 0.00 -0.05 0.00 0.00 56.93 55.99 3k3k s PHE 108 Cb -0.01 -0.25 -0.03 0.00 -0.63 0.00 0.00 43.02 42.09 3k3k s PHE 108 CO -0.03 -0.60 -0.13 -1.54 -0.05 0.00 0.00 175.22 172.88 3k3k s SER 109 N -2.99 1.72 -0.32 1.98 1.04 -0.78 -0.16 113.70 114.19 3k3k s SER 109 Ca 0.18 -0.75 -0.19 0.00 0.48 0.00 0.00 55.95 55.67 3k3k s SER 109 Cb 0.05 -0.04 -0.01 0.00 0.10 0.00 0.00 66.02 66.13 3k3k s SER 109 CO -0.01 -0.16 0.55 -0.63 0.98 0.00 0.00 173.24 173.97 3k3k s ILE 110 N -1.98 5.00 -0.46 -1.02 1.01 -0.12 -1.00 121.20 122.63 3k3k s ILE 110 Ca 0.05 0.62 0.08 0.00 0.00 0.00 0.00 60.65 61.40 3k3k s ILE 110 Cb -0.06 -3.95 -0.08 0.00 0.01 0.00 0.00 42.46 38.39 3k3k s ILE 110 CO 0.02 -0.13 0.39 2.30 0.00 0.00 0.00 174.94 177.52 3k3k n ILE 111 N 5.37 0.00 -3.82 2.92 -5.35 0.88 -4.57 119.36 114.79 3k3k n ILE 111 Ca -0.03 -0.32 -0.06 0.00 -0.27 0.00 0.00 62.75 62.07 3k3k n ILE 111 Cb 0.49 1.02 -0.01 0.00 -1.74 0.00 0.00 39.64 39.40 3k3k n ILE 111 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 3k3k s GLY 112 N -1.70 -0.10 0.00 3.28 0.00 -0.83 -4.94 107.32 103.02 3k3k s GLY 112 Ca 0.04 -0.17 0.00 0.00 0.00 0.00 0.00 44.72 44.59 3k3k s GLY 112 CO 0.32 0.04 0.00 0.61 0.00 0.00 0.00 173.10 174.07 3k3k n GLY 113 N -0.48 0.16 3.74 0.20 0.00 -1.26 -0.57 105.19 106.98 3k3k n GLY 113 Ca -0.05 -1.28 -0.42 0.00 0.00 0.00 0.00 46.02 44.27 3k3k n GLY 113 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3k3k s GLU 114 N 0.00 4.18 -0.32 1.61 0.41 -0.47 -2.77 118.70 121.35 3k3k s GLU 114 Ca 0.00 2.45 0.00 0.00 -0.41 0.00 0.00 54.97 57.01 3k3k s GLU 114 Cb 0.00 -3.08 0.00 0.00 -1.78 0.00 0.00 34.13 29.27 3k3k s GLU 114 CO 0.00 -0.58 0.00 0.72 -0.49 0.00 0.00 175.26 174.91 3k3k n HIS 115 N 2.87 0.00 -0.09 1.61 8.25 -1.26 -4.70 115.22 121.90 3k3k n HIS 115 Ca 0.10 0.00 0.07 0.00 -0.26 0.00 0.00 57.72 57.63 3k3k n HIS 115 Cb 0.38 -1.30 0.43 0.00 1.12 0.00 0.00 29.99 30.62 3k3k n HIS 115 CO 0.00 0.00 0.00 -0.09 0.64 0.00 0.00 176.34 176.89 3k3k h ARG 116 N 0.35 0.56 0.00 -0.41 2.43 -1.76 -1.19 114.38 114.36 3k3k h ARG 116 Ca -0.06 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.06 3k3k h ARG 116 Cb 0.56 -0.13 -0.00 0.00 -0.42 0.00 0.00 29.97 29.98 3k3k h ARG 116 CO 0.09 0.37 -0.06 1.25 -1.51 0.00 0.00 179.97 180.11 3k3k h LEU 117 N 0.57 0.00 -0.89 3.80 5.85 -1.90 -2.38 115.31 120.37 3k3k h LEU 117 Ca 0.24 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.96 3k3k h LEU 117 Cb 0.24 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.27 3k3k h LEU 117 CO -0.07 0.06 0.00 0.71 -0.34 0.00 0.00 178.44 178.80 3k3k h THR 118 N 0.00 0.00 -6.43 1.05 1.35 -1.58 -3.46 112.91 103.84 3k3k h THR 118 Ca -0.00 -0.51 -0.50 0.00 -0.55 0.00 0.00 66.41 64.86 3k3k h THR 118 Cb 0.26 1.43 -0.08 0.00 -1.73 0.00 0.00 68.15 68.04 3k3k h THR 118 CO 0.01 0.00 -0.80 0.59 -0.25 0.00 0.00 175.52 175.06 3k3k n ASN 119 N -2.78 -3.49 -4.70 5.36 3.02 -0.90 -0.30 115.26 111.47 3k3k n ASN 119 Ca 0.02 -0.88 -0.42 0.00 -0.03 0.00 0.00 54.58 53.27 3k3k n ASN 119 Cb 0.33 -3.48 -0.03 0.00 -0.61 0.00 0.00 39.78 35.99 3k3k n ASN 119 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 3k3k s TYR 120 N -3.41 2.77 -0.00 3.10 5.04 -1.26 -4.47 117.35 119.11 3k3k s TYR 120 Ca 0.54 0.49 0.00 0.00 -2.44 0.00 0.00 57.07 55.66 3k3k s TYR 120 Cb -0.28 -3.94 0.00 0.00 0.35 0.00 0.00 41.96 38.09 3k3k s TYR 120 CO 0.86 -3.62 -0.01 0.21 -1.34 0.00 0.00 175.55 171.65 3k3k s LYS 121 N 1.83 0.06 0.03 4.97 2.20 -0.79 -0.94 119.74 127.10 3k3k s LYS 121 Ca 0.72 -0.02 0.02 0.00 -0.36 0.00 0.00 55.97 56.32 3k3k s LYS 121 Cb -0.42 -0.07 -0.02 0.00 -1.51 0.00 0.00 37.83 35.81 3k3k s LYS 121 CO 0.32 0.01 -0.06 0.45 -0.36 0.00 0.00 175.35 175.71 3k3k s SER 122 N 0.03 0.64 -0.02 1.43 0.15 0.77 -1.18 113.70 115.52 3k3k s SER 122 Ca -0.00 -0.43 0.02 0.00 0.70 0.00 0.00 55.95 56.24 3k3k s SER 122 Cb -0.01 0.03 0.00 0.00 -1.71 0.00 0.00 66.02 64.33 3k3k s SER 122 CO -0.00 -0.17 -0.08 -0.69 1.20 0.00 0.00 173.24 173.49 3k3k s VAL 123 N -1.12 0.73 -0.08 4.45 1.01 -0.59 -0.50 120.40 124.30 3k3k s VAL 123 Ca -0.09 -0.34 0.03 0.00 0.00 0.00 0.00 61.98 61.58 3k3k s VAL 123 Cb -0.08 -0.65 0.01 0.00 0.00 0.00 0.00 36.38 35.66 3k3k s VAL 123 CO -0.00 0.23 -0.18 -0.89 0.00 0.00 0.00 175.10 174.26 3k3k s THR 124 N 0.15 1.58 0.06 3.92 2.01 0.43 -0.71 115.64 123.09 3k3k s THR 124 Ca -0.02 -0.74 0.08 0.00 0.31 0.00 0.00 61.69 61.31 3k3k s THR 124 Cb -0.08 -1.40 -0.03 0.00 0.01 0.00 0.00 72.50 71.01 3k3k s THR 124 CO 0.00 0.45 -0.21 0.42 -0.69 0.00 0.00 174.62 174.60 3k3k s THR 125 N 0.50 1.70 -0.10 -0.82 -4.23 -0.13 -1.33 115.64 111.23 3k3k s THR 125 Ca -0.17 -1.31 0.03 0.00 -1.18 0.00 0.00 61.69 59.06 3k3k s THR 125 Cb -0.17 -1.49 -0.01 0.00 1.34 0.00 0.00 72.50 72.17 3k3k s THR 125 CO 0.06 0.13 -0.20 -0.69 -0.54 0.00 0.00 174.62 173.39 3k3k s VAL 126 N -0.91 2.49 -0.03 2.29 1.01 -0.69 -1.42 120.40 123.14 3k3k s VAL 126 Ca 0.07 -0.88 0.05 0.00 0.00 0.00 0.00 61.98 61.22 3k3k s VAL 126 Cb -0.09 -1.98 -0.01 0.00 0.00 0.00 0.00 36.38 34.30 3k3k s VAL 126 CO 0.03 0.55 -0.18 -1.00 0.00 0.00 0.00 175.10 174.50 3k3k s HIS 127 N 0.12 1.69 -0.09 5.22 3.76 -0.02 -4.82 115.29 121.16 3k3k s HIS 127 Ca -0.10 -0.42 -0.13 0.00 -0.15 0.00 0.00 55.06 54.27 3k3k s HIS 127 Cb -0.16 -1.12 -0.05 0.00 1.11 0.00 0.00 32.58 32.37 3k3k s HIS 127 CO 0.06 -0.11 0.31 0.50 -0.85 0.00 0.00 174.74 174.65 3k3k s ARG 128 N -0.17 3.95 0.03 1.40 3.52 -1.26 -1.27 118.95 125.16 3k3k s ARG 128 Ca 0.01 0.17 0.07 0.00 -0.13 0.00 0.00 55.73 55.85 3k3k s ARG 128 Cb -0.10 -3.30 -0.02 0.00 -1.56 0.00 0.00 34.95 29.97 3k3k s ARG 128 CO 0.01 0.52 -0.19 -0.06 -0.81 0.00 0.00 175.30 174.77 3k3k s PHE 129 N -0.43 1.68 -0.03 5.12 0.40 0.25 -4.96 117.98 120.01 3k3k s PHE 129 Ca 0.19 -0.36 -0.01 0.00 -0.60 0.00 0.00 56.93 56.15 3k3k s PHE 129 Cb -0.14 -1.01 0.02 0.00 0.51 0.00 0.00 43.02 42.40 3k3k s PHE 129 CO 0.08 0.06 0.07 -2.00 0.70 0.00 0.00 175.22 174.13 3k3k s GLU 130 N -1.05 0.04 -0.09 0.44 2.12 -1.26 -0.74 118.70 118.16 3k3k s GLU 130 Ca 0.06 0.19 -0.16 0.00 0.36 0.00 0.00 54.97 55.41 3k3k s GLU 130 Cb -0.08 -0.11 0.04 0.00 0.26 0.00 0.00 34.13 34.23 3k3k s GLU 130 CO 0.01 -0.10 0.40 0.21 -0.54 0.00 0.00 175.26 175.25 3k3k s LYS 131 N 0.65 0.62 3.87 4.30 2.47 -0.01 -5.00 119.74 126.63 3k3k s LYS 131 Ca -0.05 0.23 0.00 0.00 -1.56 0.00 0.00 55.97 54.59 3k3k s LYS 131 Cb -0.07 0.29 0.00 0.00 -1.46 0.00 0.00 37.83 36.59 3k3k s LYS 131 CO -0.02 -0.14 0.00 0.39 0.16 0.00 0.00 175.35 175.74 3k3k n GLU 132 N 2.01 0.00 0.13 4.03 -0.58 -1.26 0.39 120.64 125.36 3k3k n GLU 132 Ca -0.17 0.00 -0.00 0.00 -0.42 0.00 0.00 57.16 56.56 3k3k n GLU 132 Cb 0.57 0.00 0.13 0.00 -0.57 0.00 0.00 31.44 31.57 3k3k n GLU 132 CO 0.00 0.00 0.00 -0.91 -0.48 0.00 0.00 177.13 175.74 3k3k h ASN 133 N 0.00 0.00 -3.16 1.62 4.21 -2.04 -3.48 115.58 112.73 3k3k h ASN 133 Ca 0.00 0.00 -0.59 0.00 1.21 0.00 0.00 56.30 56.92 3k3k h ASN 133 Cb 0.00 0.00 -0.05 0.00 -1.12 0.00 0.00 38.32 37.15 3k3k h ASN 133 CO 0.00 0.63 -0.10 0.00 -1.29 0.00 0.00 177.43 176.67 3k3k s ARG 134 N -3.34 4.11 -0.10 0.81 1.70 0.16 -5.08 118.95 117.22 3k3k s ARG 134 Ca 0.00 0.60 -0.02 0.00 -0.47 0.00 0.00 55.73 55.84 3k3k s ARG 134 Cb 0.11 -3.25 -0.03 0.00 -0.57 0.00 0.00 34.95 31.21 3k3k s ARG 134 CO 0.75 0.62 -0.02 0.42 -1.08 0.00 0.00 175.30 175.99 3k3k s ILE 135 N -0.95 4.13 0.27 4.99 1.01 -1.26 -0.83 121.20 128.56 3k3k s ILE 135 Ca 0.27 -0.31 -0.02 0.00 0.00 0.00 0.00 60.65 60.59 3k3k s ILE 135 Cb -0.18 -2.74 0.01 0.00 0.01 0.00 0.00 42.46 39.55 3k3k s ILE 135 CO 0.16 0.58 0.39 -2.67 0.00 0.00 0.00 174.94 173.40 3k3k n TRP 136 N 2.48 -1.27 -4.17 3.97 2.14 0.08 -4.57 117.44 116.10 3k3k n TRP 136 Ca -0.18 -1.73 -0.17 0.00 2.07 0.00 0.00 57.50 57.49 3k3k n TRP 136 Cb 0.53 0.44 -0.12 0.00 -0.81 0.00 0.00 31.31 31.35 3k3k n TRP 136 CO 0.00 0.00 0.00 0.99 2.07 0.00 0.00 177.69 180.75 3k3k s THR 137 N -2.68 1.00 -0.08 -1.67 2.01 -0.33 -0.58 115.64 113.31 3k3k s THR 137 Ca 0.21 -1.23 0.02 0.00 0.31 0.00 0.00 61.69 61.01 3k3k s THR 137 Cb -0.01 -0.97 0.01 0.00 0.01 0.00 0.00 72.50 71.54 3k3k s THR 137 CO 0.15 -0.23 -0.15 -0.69 -0.69 0.00 0.00 174.62 173.01 3k3k s VAL 138 N -1.25 1.37 -0.15 3.82 1.01 -0.40 -0.05 120.40 124.76 3k3k s VAL 138 Ca -0.03 -0.60 -0.06 0.00 0.00 0.00 0.00 61.98 61.29 3k3k s VAL 138 Cb -0.10 -1.23 -0.04 0.00 0.00 0.00 0.00 36.38 35.01 3k3k s VAL 138 CO 0.02 0.41 0.06 -0.69 0.00 0.00 0.00 175.10 174.90 3k3k s VAL 139 N 0.69 4.78 -0.12 2.92 1.01 0.01 -0.84 120.40 128.85 3k3k s VAL 139 Ca -0.14 -0.05 -0.02 0.00 0.00 0.00 0.00 61.98 61.78 3k3k s VAL 139 Cb -0.16 -3.11 -0.03 0.00 0.00 0.00 0.00 36.38 33.09 3k3k s VAL 139 CO 0.03 0.52 -0.06 -0.76 0.00 0.00 0.00 175.10 174.84 3k3k s LEU 140 N -0.18 3.18 -0.07 3.92 1.43 -0.50 -0.97 118.68 125.48 3k3k s LEU 140 Ca 0.07 -0.11 0.01 0.00 -1.03 0.00 0.00 54.13 53.08 3k3k s LEU 140 Cb -0.12 -1.73 0.02 0.00 0.03 0.00 0.00 46.19 44.38 3k3k s LEU 140 CO 0.01 0.24 -0.10 -0.70 0.23 0.00 0.00 176.35 176.03 3k3k s GLU 141 N -0.06 1.47 0.20 1.70 2.12 -0.29 -0.96 118.70 122.90 3k3k s GLU 141 Ca 0.01 -0.31 0.07 0.00 0.36 0.00 0.00 54.97 55.09 3k3k s GLU 141 Cb -0.13 -1.31 -0.05 0.00 0.26 0.00 0.00 34.13 32.90 3k3k s GLU 141 CO 0.03 -0.05 -0.13 -1.54 -0.54 0.00 0.00 175.26 173.03 3k3k s SER 142 N 0.91 2.47 0.17 -1.70 1.04 0.11 -0.29 113.70 116.41 3k3k s SER 142 Ca -0.10 -1.04 -0.10 0.00 0.48 0.00 0.00 55.95 55.19 3k3k s SER 142 Cb -0.15 -0.12 -0.01 0.00 0.10 0.00 0.00 66.02 65.85 3k3k s SER 142 CO 0.01 -0.21 0.30 -0.72 0.98 0.00 0.00 173.24 173.60 3k3k s TYR 143 N -3.03 0.36 0.05 5.02 -0.85 -0.51 -1.54 117.35 116.85 3k3k s TYR 143 Ca 0.22 -0.72 0.05 0.00 -0.52 0.00 0.00 57.07 56.10 3k3k s TYR 143 Cb 0.00 -0.02 -0.02 0.00 0.38 0.00 0.00 41.96 42.30 3k3k s TYR 143 CO 0.06 -0.74 -0.14 0.08 -1.52 0.00 0.00 175.55 173.30 3k3k s VAL 144 N -3.96 1.07 -0.03 -3.49 1.01 -0.32 -1.80 120.40 112.88 3k3k s VAL 144 Ca 0.16 -1.12 -0.18 0.00 0.00 0.00 0.00 61.98 60.84 3k3k s VAL 144 Cb 0.03 -1.00 0.03 0.00 0.00 0.00 0.00 36.38 35.44 3k3k s VAL 144 CO -0.00 -0.11 0.40 0.54 0.00 0.00 0.00 175.10 175.93 3k3k s VAL 145 N -1.04 0.04 0.43 2.92 0.11 -0.29 -1.88 120.40 120.69 3k3k s VAL 145 Ca -0.00 -0.33 -0.24 0.00 -2.93 0.00 0.00 61.98 58.47 3k3k s VAL 145 Cb -0.09 -0.70 -0.08 0.00 -1.53 0.00 0.00 36.38 33.99 3k3k s VAL 145 CO 0.02 -0.18 1.23 -1.81 -3.33 0.00 0.00 175.10 171.02 3k3k s ASP 146 N -1.17 6.23 0.32 3.54 1.01 0.58 -0.99 116.67 126.21 3k3k s ASP 146 Ca -0.12 2.47 -0.24 0.00 0.71 0.00 0.00 52.55 55.38 3k3k s ASP 146 Cb -0.04 -2.62 -0.10 0.00 1.01 0.00 0.00 42.92 41.17 3k3k s ASP 146 CO 0.05 -0.89 0.90 -0.04 0.21 0.00 0.00 175.17 175.40 3k3k s MET 147 N -2.45 4.44 0.31 8.23 -1.94 -0.40 -4.86 119.30 122.63 3k3k s MET 147 Ca 0.60 1.18 -0.28 0.00 -1.71 0.00 0.00 55.69 55.48 3k3k s MET 147 Cb -0.33 -2.69 -0.09 0.00 2.01 0.00 0.00 34.83 33.73 3k3k s MET 147 CO 0.42 0.24 1.06 -2.14 -0.01 0.00 0.00 175.02 174.58 3k3k s PRO 148 N -2.28 4.53 -1.32 2.03 0.02 -1.26 -4.92 135.00 131.80 3k3k s PRO 148 Ca 0.51 1.65 -0.12 0.00 0.02 0.00 0.00 61.00 63.07 3k3k s PRO 148 Cb -0.16 -2.99 0.13 0.00 0.02 0.00 0.00 34.50 31.50 3k3k s PRO 148 CO 0.21 0.15 1.90 -1.91 -0.33 0.00 0.00 177.00 177.02 3k3k n GLU 149 N 0.82 3.38 -3.69 5.54 0.00 -1.26 -4.88 120.64 120.56 3k3k n GLU 149 Ca 0.01 -3.33 0.01 0.00 0.00 0.00 0.00 57.16 53.85 3k3k n GLU 149 Cb 0.47 -3.06 -0.00 0.00 0.00 0.00 0.00 31.44 28.84 3k3k n GLU 149 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.13 177.33 3k3k s GLY 150 N 1.88 -0.34 0.36 8.31 0.00 -1.26 -4.87 107.32 111.41 3k3k s GLY 150 Ca 0.43 0.51 0.19 0.00 0.00 0.00 0.00 44.72 45.85 3k3k s GLY 150 CO -0.01 0.83 1.53 3.43 0.00 0.00 0.00 173.10 178.88 3k3k h ASN 151 N 2.00 0.00 0.00 1.64 2.35 -2.05 -3.40 115.58 116.12 3k3k h ASN 151 Ca -0.29 0.00 -0.07 0.00 -0.55 0.00 0.00 56.30 55.39 3k3k h ASN 151 Cb 1.20 0.00 -0.07 0.00 0.05 0.00 0.00 38.32 39.50 3k3k h ASN 151 CO 0.29 0.24 -0.14 -0.24 -1.65 0.00 0.00 177.43 175.93 3k3k n SER 152 N -3.16 -0.60 -4.58 5.81 2.88 -1.26 -5.01 113.62 107.70 3k3k n SER 152 Ca 0.03 -1.25 -0.31 0.00 -1.33 0.00 0.00 58.87 56.01 3k3k n SER 152 Cb 0.63 0.23 -0.05 0.00 -0.75 0.00 0.00 64.21 64.27 3k3k n SER 152 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 3k3k n GLU 153 N -0.31 1.87 -4.06 -1.46 1.02 -1.26 -3.99 120.64 112.45 3k3k n GLU 153 Ca -0.12 -2.61 -0.30 0.00 -0.02 0.00 0.00 57.16 54.11 3k3k n GLU 153 Cb 0.56 -3.69 -0.03 0.00 -0.02 0.00 0.00 31.44 28.25 3k3k n GLU 153 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 3k3k n ASP 154 N 13.39 -0.88 -4.56 1.62 10.43 -1.26 -4.73 116.55 130.57 3k3k n ASP 154 Ca 0.46 -1.13 -0.41 0.00 2.57 0.00 0.00 54.79 56.27 3k3k n ASP 154 Cb 0.46 -2.44 -0.03 0.00 1.84 0.00 0.00 41.12 40.95 3k3k n ASP 154 CO 0.00 0.00 0.00 -0.62 -1.07 0.00 0.00 177.20 175.51 3k3k s ASP 155 N -4.18 6.39 -0.01 -2.24 2.15 -1.26 -4.80 116.67 112.72 3k3k s ASP 155 Ca 0.11 -1.17 0.13 0.00 0.43 0.00 0.00 52.55 52.04 3k3k s ASP 155 Cb -0.05 -2.57 0.37 0.00 -0.30 0.00 0.00 42.92 40.37 3k3k s ASP 155 CO 0.93 -1.62 1.31 0.41 -0.17 0.00 0.00 175.17 176.03 3k3k n THR 156 N 6.78 1.05 0.20 1.71 -1.04 -1.26 -4.63 114.28 117.09 3k3k n THR 156 Ca 0.25 -1.03 0.07 0.00 -2.04 0.00 0.00 64.05 61.30 3k3k n THR 156 Cb 0.50 0.47 0.41 0.00 -1.82 0.00 0.00 70.33 69.90 3k3k n THR 156 CO 0.00 0.00 0.00 0.03 -0.64 0.00 0.00 175.07 174.46 3k3k h ARG 157 N 2.38 0.00 -0.56 -2.82 3.08 -1.96 -0.86 114.38 113.64 3k3k h ARG 157 Ca 0.00 0.00 -0.09 0.00 0.07 0.00 0.00 59.98 59.96 3k3k h ARG 157 Cb 0.80 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.83 3k3k h ARG 157 CO 0.01 0.32 -0.01 1.98 -1.07 0.00 0.00 179.97 181.20 3k3k h MET 158 N 0.00 0.98 -0.45 0.04 4.05 -1.99 0.00 114.93 117.56 3k3k h MET 158 Ca -0.00 -0.30 -0.04 0.00 -0.28 0.00 0.00 59.70 59.07 3k3k h MET 158 Cb 0.77 -0.09 -0.02 0.00 -0.80 0.00 0.00 31.60 31.45 3k3k h MET 158 CO 0.04 0.97 0.12 0.35 0.23 0.00 0.00 176.91 178.62 3k3k h PHE 159 N 0.90 0.74 -0.36 1.39 3.04 -1.60 0.17 116.94 121.22 3k3k h PHE 159 Ca 0.16 -0.09 0.07 0.00 3.98 0.00 0.00 57.97 62.10 3k3k h PHE 159 Cb 0.54 -0.21 -0.07 0.00 2.56 0.00 0.00 35.95 38.77 3k3k h PHE 159 CO 0.04 0.68 -0.11 0.00 -2.02 0.00 0.00 178.31 176.89 3k3k h ALA 160 N 0.97 0.20 -0.70 2.41 0.00 -1.05 0.43 119.26 121.52 3k3k h ALA 160 Ca 0.14 0.14 0.02 0.00 0.00 0.00 0.00 54.91 55.21 3k3k h ALA 160 Cb 0.31 0.32 -0.04 0.00 0.00 0.00 0.00 17.79 18.37 3k3k h ALA 160 CO 0.00 -0.48 0.45 -0.44 0.00 0.00 0.00 179.25 178.78 3k3k h ASP 161 N -0.04 0.76 -0.39 0.00 3.32 -0.65 -0.85 116.42 118.57 3k3k h ASP 161 Ca 0.18 -0.01 -0.12 0.00 0.02 0.00 0.00 57.03 57.10 3k3k h ASP 161 Cb 0.30 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.67 3k3k h ASP 161 CO -0.39 0.53 -0.24 0.74 -1.72 0.00 0.00 179.24 178.17 3k3k h THR 162 N 0.90 1.28 -0.20 0.35 2.02 0.15 -2.18 112.91 115.22 3k3k h THR 162 Ca 0.27 -1.39 -0.18 0.00 0.77 0.00 0.00 66.41 65.89 3k3k h THR 162 Cb -0.03 1.33 -0.00 0.00 -1.74 0.00 0.00 68.15 67.71 3k3k h THR 162 CO -0.09 0.46 -0.59 -0.37 0.37 0.00 0.00 175.52 175.30 3k3k h VAL 163 N 0.65 1.31 -0.48 3.16 -1.51 -0.02 -1.80 116.25 117.56 3k3k h VAL 163 Ca 0.08 -1.83 0.08 0.00 -1.23 0.00 0.00 66.70 63.79 3k3k h VAL 163 Cb 0.80 1.78 -0.06 0.00 -2.13 0.00 0.00 31.29 31.69 3k3k h VAL 163 CO 0.07 0.58 0.12 0.58 -1.23 0.00 0.00 177.57 177.69 3k3k h VAL 164 N 0.50 0.77 -0.18 7.19 2.07 -0.97 0.01 116.25 125.63 3k3k h VAL 164 Ca -0.00 -0.09 0.04 0.00 0.82 0.00 0.00 66.70 67.46 3k3k h VAL 164 Cb 1.17 0.48 -0.04 0.00 -1.52 0.00 0.00 31.29 31.38 3k3k h VAL 164 CO 0.12 0.05 -0.05 0.50 0.02 0.00 0.00 177.57 178.21 3k3k h LYS 165 N 0.27 -0.01 -0.41 1.57 3.64 -1.06 -1.46 116.57 119.12 3k3k h LYS 165 Ca 0.24 0.00 -0.10 0.00 -1.27 0.00 0.00 60.65 59.51 3k3k h LYS 165 Cb 0.29 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.10 3k3k h LYS 165 CO -0.28 -0.01 -0.17 -0.07 -2.27 0.00 0.00 179.45 176.65 3k3k h LEU 166 N -0.01 0.77 -0.66 5.20 3.38 -1.11 -1.77 115.31 121.11 3k3k h LEU 166 Ca 0.09 -0.25 -0.09 0.00 0.09 0.00 0.00 57.88 57.72 3k3k h LEU 166 Cb 0.14 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 3k3k h LEU 166 CO -0.19 0.94 0.04 0.78 0.09 0.00 0.00 178.44 180.10 3k3k h ASN 167 N 0.68 1.06 0.03 -0.43 2.35 -0.65 0.26 115.58 118.87 3k3k h ASN 167 Ca 0.11 -0.28 -0.08 0.00 -0.55 0.00 0.00 56.30 55.49 3k3k h ASN 167 Cb 0.66 -0.28 -0.01 0.00 0.05 0.00 0.00 38.32 38.73 3k3k h ASN 167 CO 0.05 1.08 -0.24 -0.07 -1.65 0.00 0.00 177.43 176.60 3k3k h LEU 168 N 1.00 0.35 -0.54 1.61 3.38 -1.05 0.16 115.31 120.22 3k3k h LEU 168 Ca 0.19 -0.11 -0.06 0.00 0.09 0.00 0.00 57.88 57.99 3k3k h LEU 168 Cb 0.51 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.15 3k3k h LEU 168 CO 0.02 0.60 0.12 1.56 0.09 0.00 0.00 178.44 180.83 3k3k h GLN 169 N 0.32 0.88 -0.44 1.13 4.20 -0.74 -0.87 115.11 119.59 3k3k h GLN 169 Ca 0.05 -0.22 -0.04 0.00 0.06 0.00 0.00 58.65 58.50 3k3k h GLN 169 Cb 0.60 -0.11 -0.02 0.00 0.30 0.00 0.00 27.48 28.25 3k3k h GLN 169 CO 0.04 0.84 0.12 -0.22 -0.67 0.00 0.00 178.83 178.94 3k3k h LYS 170 N 0.77 0.69 -0.56 1.46 3.64 -0.42 -0.91 116.57 121.25 3k3k h LYS 170 Ca 0.17 -0.16 0.07 0.00 -1.27 0.00 0.00 60.65 59.46 3k3k h LYS 170 Cb 0.36 -0.10 -0.06 0.00 -0.41 0.00 0.00 32.23 32.03 3k3k h LYS 170 CO 0.01 0.68 0.25 1.25 -2.27 0.00 0.00 179.45 179.37 3k3k h LEU 171 N 0.57 0.33 -0.04 5.20 5.85 -0.51 -0.30 115.31 126.40 3k3k h LEU 171 Ca 0.14 0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.91 3k3k h LEU 171 Cb 0.29 -0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.31 3k3k h LEU 171 CO -0.00 0.21 0.03 0.00 -0.34 0.00 0.00 178.44 178.34 3k3k h ALA 172 N 1.34 0.06 -0.04 1.25 0.00 -0.83 -0.18 119.26 120.85 3k3k h ALA 172 Ca 0.26 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.19 3k3k h ALA 172 Cb 0.24 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 3k3k h ALA 172 CO -0.22 -0.44 -0.10 1.15 0.00 0.00 0.00 179.25 179.64 3k3k h THR 173 N 0.04 0.74 -0.01 0.00 2.02 -0.83 0.58 112.91 115.45 3k3k h THR 173 Ca 0.02 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.20 3k3k h THR 173 Cb 0.01 0.74 -0.00 0.00 -1.74 0.00 0.00 68.15 67.16 3k3k h THR 173 CO -0.00 0.00 -0.00 0.58 0.37 0.00 0.00 175.52 176.46 3k3k h VAL 174 N -0.15 0.98 -0.46 3.16 2.07 -1.00 -1.04 116.25 119.82 3k3k h VAL 174 Ca 0.05 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 67.50 3k3k h VAL 174 Cb 0.22 0.98 -0.02 0.00 -1.52 0.00 0.00 31.29 30.96 3k3k h VAL 174 CO -0.13 0.00 0.03 0.00 0.02 0.00 0.00 177.57 177.49 3k3k h ALA 175 N 1.01 0.61 -0.63 1.67 0.00 -0.89 -1.66 119.26 119.38 3k3k h ALA 175 Ca 0.01 -0.26 -0.06 0.00 0.00 0.00 0.00 54.91 54.60 3k3k h ALA 175 Cb 0.01 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.60 3k3k h ALA 175 CO -0.01 0.38 0.15 0.93 0.00 0.00 0.00 179.25 180.70 3k3k h GLU 176 N 0.64 0.99 0.45 0.00 5.08 -0.82 -1.47 114.58 119.45 3k3k h GLU 176 Ca 0.13 -0.23 -0.01 0.00 -1.00 0.00 0.00 59.36 58.25 3k3k h GLU 176 Cb 0.46 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.56 3k3k h GLU 176 CO 0.02 0.89 -0.30 0.00 -1.00 0.00 0.00 179.01 178.62 3k3k h ALA 177 N 1.21 -0.73 -0.85 3.43 0.00 -0.93 -2.79 119.26 118.61 3k3k h ALA 177 Ca 0.20 -0.14 0.19 0.00 0.00 0.00 0.00 54.91 55.16 3k3k h ALA 177 Cb 0.35 0.38 -0.11 0.00 0.00 0.00 0.00 17.79 18.40 3k3k h ALA 177 CO 0.00 -0.93 0.36 0.52 0.00 0.00 0.00 179.25 179.21 3k3k h MET 178 N -0.72 0.43 0.00 0.00 2.86 -1.13 -1.67 114.93 114.69 3k3k h MET 178 Ca -0.05 -0.03 -0.03 0.00 -2.06 0.00 0.00 59.70 57.53 3k3k h MET 178 Cb 0.60 -0.10 -0.00 0.00 0.06 0.00 0.00 31.60 32.16 3k3k h MET 178 CO 0.03 0.28 -0.16 0.00 1.06 0.00 0.00 176.91 178.13 3k3k h ALA 179 N 1.64 1.17 -0.00 6.32 0.00 -1.08 -1.93 119.26 125.37 3k3k h ALA 179 Ca 0.50 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.27 3k3k h ALA 179 Cb 0.87 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.63 3k3k h ALA 179 CO -0.47 0.20 -0.08 2.89 0.00 0.00 0.00 179.25 181.78 3k3k n ARG 180 N -3.52 0.48 -0.12 0.00 1.85 -0.63 -2.84 116.66 111.88 3k3k n ARG 180 Ca -0.01 -0.10 0.12 0.00 -1.00 0.00 0.00 57.85 56.86 3k3k n ARG 180 Cb 0.31 -1.50 0.20 0.00 -1.05 0.00 0.00 32.46 30.42 3k3k n ARG 180 CO 0.00 0.00 0.00 0.09 -0.01 0.00 0.00 177.63 177.71 3k3k n ASN 181 N -1.17 3.15 -0.00 2.89 3.02 -0.73 -4.67 115.26 117.75 3k3k n ASN 181 Ca 0.13 -1.96 -0.00 0.00 -0.03 0.00 0.00 54.58 52.72 3k3k n ASN 181 Cb 0.27 -0.16 -0.00 0.00 -0.61 0.00 0.00 39.78 39.28 3k3k n ASN 181 CO 0.00 0.00 0.00 0.28 -2.62 0.00 0.00 177.26 174.92 3k3k h SER 182 N 4.35 0.00 0.00 6.41 0.02 -1.50 -3.51 113.55 119.31 3k3k h SER 182 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3k3k h SER 182 Cb 0.95 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.49 3k3k h SER 182 CO 0.00 0.00 0.00 0.61 -1.14 0.00 0.00 176.83 176.30