#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3k4i s LEU 3 N 0.00 2.15 0.56 1.04 1.43 -1.26 -5.04 118.68 117.57 3k4i s LEU 3 Ca 0.00 -1.60 0.35 0.00 -1.03 0.00 0.00 54.13 51.85 3k4i s LEU 3 Cb 0.00 -0.36 1.58 0.00 0.03 0.00 0.00 46.19 47.43 3k4i s LEU 3 CO 0.00 -0.83 2.05 0.77 0.23 0.00 0.00 176.35 178.57 3k4i h SER 4 N 1.73 0.00 -3.15 2.29 4.64 -2.06 -3.42 113.55 113.57 3k4i h SER 4 Ca -0.39 0.00 -0.63 0.00 -0.47 0.00 0.00 61.79 60.30 3k4i h SER 4 Cb 1.28 0.00 -0.11 0.00 -0.31 0.00 0.00 62.40 63.26 3k4i h SER 4 CO 0.65 0.00 -0.64 0.68 -0.87 0.00 0.00 176.83 176.64 3k4i s VAL 5 N -3.75 4.05 0.73 0.95 -7.23 -1.26 -5.11 120.40 108.78 3k4i s VAL 5 Ca -0.00 -1.08 -0.16 0.00 -1.81 0.00 0.00 61.98 58.94 3k4i s VAL 5 Cb 0.10 -2.98 0.03 0.00 0.56 0.00 0.00 36.38 34.09 3k4i s VAL 5 CO 0.50 0.04 1.16 -2.65 -0.31 0.00 0.00 175.10 173.85 3k4i n PRO 6 N 0.29 0.60 -1.95 4.82 -0.02 -1.26 -4.92 135.00 132.56 3k4i n PRO 6 Ca -0.10 0.27 -0.41 0.00 -2.02 0.00 0.00 63.50 61.24 3k4i n PRO 6 Cb 0.53 -2.40 -0.01 0.00 -0.02 0.00 0.00 33.50 31.59 3k4i n PRO 6 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 3k4i s PHE 7 N -1.78 2.86 -0.07 6.00 5.36 -1.26 -5.01 117.98 124.09 3k4i s PHE 7 Ca 0.77 1.15 -0.03 0.00 -0.96 0.00 0.00 56.93 57.86 3k4i s PHE 7 Cb -0.34 -3.87 0.04 0.00 -0.34 0.00 0.00 43.02 38.51 3k4i s PHE 7 CO 0.47 -2.64 0.15 -2.00 -1.46 0.00 0.00 175.22 169.73 3k4i s GLU 8 N -1.33 0.10 0.07 10.12 2.12 -1.26 -5.11 118.70 123.41 3k4i s GLU 8 Ca 0.55 0.36 -0.33 0.00 0.36 0.00 0.00 54.97 55.91 3k4i s GLU 8 Cb -0.43 -0.16 -0.12 0.00 0.26 0.00 0.00 34.13 33.68 3k4i s GLU 8 CO 0.53 -0.15 1.79 0.66 -0.54 0.00 0.00 175.26 177.54 3k4i n TYR 9 N 4.10 2.44 -3.94 5.30 4.02 -1.26 -4.73 117.16 123.09 3k4i n TYR 9 Ca -0.25 -0.01 -0.29 0.00 -0.01 0.00 0.00 57.90 57.33 3k4i n TYR 9 Cb 0.52 -2.67 -0.16 0.00 -0.02 0.00 0.00 39.34 37.01 3k4i n TYR 9 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 176.86 176.84 3k4i s THR 10 N 2.74 1.37 0.53 -0.72 2.01 -1.26 -5.09 115.64 115.21 3k4i s THR 10 Ca 0.85 -0.82 -0.22 0.00 0.31 0.00 0.00 61.69 61.81 3k4i s THR 10 Cb -0.59 -1.50 -0.05 0.00 0.01 0.00 0.00 72.50 70.36 3k4i s THR 10 CO 0.42 0.14 1.27 -2.16 -0.69 0.00 0.00 174.62 173.60 3k4i s PRO 11 N 1.52 3.31 -0.12 4.92 0.04 -1.26 -4.83 135.00 138.57 3k4i s PRO 11 Ca -0.00 2.02 0.02 0.00 0.04 0.00 0.00 61.00 63.08 3k4i s PRO 11 Cb -0.16 -2.25 -0.00 0.00 0.04 0.00 0.00 34.50 32.13 3k4i s PRO 11 CO -0.08 -0.99 -0.20 0.42 0.04 0.00 0.00 177.00 176.19 3k4i s ILE 12 N -1.42 2.37 0.46 0.56 1.01 -1.26 -5.06 121.20 117.86 3k4i s ILE 12 Ca 0.70 -0.90 -0.24 0.00 0.00 0.00 0.00 60.65 60.22 3k4i s ILE 12 Cb -0.35 -1.95 -0.07 0.00 0.01 0.00 0.00 42.46 40.10 3k4i s ILE 12 CO 0.41 0.54 1.25 0.00 0.00 0.00 0.00 174.94 177.15 3k4i s ALA 13 N 0.48 3.03 0.43 9.38 0.00 -1.26 -4.89 121.76 128.92 3k4i s ALA 13 Ca -0.13 1.12 0.13 0.00 0.00 0.00 0.00 51.96 53.07 3k4i s ALA 13 Cb -0.17 -3.46 1.00 0.00 0.00 0.00 0.00 23.12 20.50 3k4i s ALA 13 CO 0.05 -0.86 1.97 0.37 0.00 0.00 0.00 175.76 177.29 3k4i h GLN 14 N 2.13 0.43 -0.77 0.00 5.75 -2.00 -1.46 115.11 119.20 3k4i h GLN 14 Ca -0.50 -0.03 -0.01 0.00 -0.15 0.00 0.00 58.65 57.97 3k4i h GLN 14 Cb 1.26 -0.10 -0.04 0.00 1.07 0.00 0.00 27.48 29.67 3k4i h GLN 14 CO 0.60 0.29 0.45 0.66 -2.65 0.00 0.00 178.83 178.18 3k4i h SER 15 N 0.45 0.93 -0.44 -0.69 4.64 -1.99 0.16 113.55 116.61 3k4i h SER 15 Ca 0.29 -0.06 -0.10 0.00 -0.47 0.00 0.00 61.79 61.45 3k4i h SER 15 Cb 0.53 -0.24 -0.01 0.00 -0.31 0.00 0.00 62.40 62.37 3k4i h SER 15 CO -0.08 0.73 -0.10 0.58 -0.87 0.00 0.00 176.83 177.09 3k4i h VAL 16 N 1.07 1.27 -0.71 0.95 2.07 -1.64 -1.53 116.25 117.73 3k4i h VAL 16 Ca 0.28 -1.21 -0.06 0.00 0.82 0.00 0.00 66.70 66.53 3k4i h VAL 16 Cb -0.02 1.14 -0.03 0.00 -1.52 0.00 0.00 31.29 30.86 3k4i h VAL 16 CO -0.05 0.41 0.21 -0.07 0.02 0.00 0.00 177.57 178.09 3k4i h LEU 17 N 0.68 1.04 -0.61 2.57 3.38 -1.18 -3.02 115.31 118.17 3k4i h LEU 17 Ca 0.11 -0.21 -0.03 0.00 0.09 0.00 0.00 57.88 57.84 3k4i h LEU 17 Cb 0.64 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 41.09 3k4i h LEU 17 CO 0.04 0.98 0.26 0.44 0.09 0.00 0.00 178.44 180.25 3k4i h ASP 18 N 1.04 0.84 -0.87 -0.43 3.32 -0.43 -2.32 116.42 117.57 3k4i h ASP 18 Ca 0.23 -0.16 0.14 0.00 0.02 0.00 0.00 57.03 57.25 3k4i h ASP 18 Cb 0.32 -0.22 -0.07 0.00 0.22 0.00 0.00 39.33 39.59 3k4i h ASP 18 CO -0.00 0.77 0.56 -0.33 -1.72 0.00 0.00 179.24 178.52 3k4i h GLU 19 N 0.85 0.65 0.00 3.56 5.08 -1.18 -1.68 114.58 121.86 3k4i h GLU 19 Ca 0.21 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.53 3k4i h GLU 19 Cb 0.18 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.29 3k4i h GLU 19 CO -0.02 0.43 0.00 0.00 -1.00 0.00 0.00 179.01 178.42 3k4i h GLU 21 N 0.00 0.00 -0.14 0.00 5.08 -1.36 -2.80 114.58 115.36 3k4i h GLU 21 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3k4i h GLU 21 Cb 0.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.44 3k4i h GLU 21 CO 0.00 0.00 0.00 0.72 -1.00 0.00 0.00 179.01 178.73 3k4i n HIS 22 N -4.29 0.47 -5.05 4.33 8.25 -0.87 -4.99 115.22 113.07 3k4i n HIS 22 Ca 0.05 -0.90 -0.32 0.00 -0.26 0.00 0.00 57.72 56.28 3k4i n HIS 22 Cb 0.42 -0.22 -0.15 0.00 1.12 0.00 0.00 29.99 31.16 3k4i n HIS 22 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3k4i s LEU 23 N -2.71 2.42 0.37 2.41 1.43 -1.06 -5.09 118.68 116.45 3k4i s LEU 23 Ca 0.35 -0.37 -0.08 0.00 -1.03 0.00 0.00 54.13 53.00 3k4i s LEU 23 Cb 0.29 -1.48 -0.06 0.00 0.03 0.00 0.00 46.19 44.97 3k4i s LEU 23 CO 0.06 0.27 0.69 -1.81 0.23 0.00 0.00 176.35 175.79 3k4i s ASP 24 N -0.27 6.49 0.39 2.29 -0.00 -1.26 -4.96 116.67 119.35 3k4i s ASP 24 Ca 0.01 0.98 0.14 0.00 -0.00 0.00 0.00 52.55 53.68 3k4i s ASP 24 Cb -0.13 -2.26 0.98 0.00 -0.00 0.00 0.00 42.92 41.52 3k4i s ASP 24 CO 0.03 -0.33 1.86 0.71 -0.00 0.00 0.00 175.17 177.44 3k4i h THR 25 N 1.17 0.74 -0.49 -1.27 1.35 -1.92 -2.11 112.91 110.37 3k4i h THR 25 Ca -0.47 -0.17 -0.00 0.00 -0.55 0.00 0.00 66.41 65.21 3k4i h THR 25 Cb 1.19 0.18 -0.02 0.00 -1.73 0.00 0.00 68.15 67.77 3k4i h THR 25 CO 0.65 0.09 0.30 0.00 -0.25 0.00 0.00 175.52 176.31 3k4i h ALA 26 N 1.61 0.63 -0.56 6.62 0.00 -1.98 0.14 119.26 125.71 3k4i h ALA 26 Ca 0.46 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.29 3k4i h ALA 26 Cb 0.99 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.56 3k4i h ALA 26 CO -0.19 0.11 0.27 0.77 0.00 0.00 0.00 179.25 180.21 3k4i h SER 27 N 0.66 0.74 -0.56 0.00 0.02 -1.74 -0.47 113.55 112.21 3k4i h SER 27 Ca 0.18 -0.13 -0.10 0.00 -0.84 0.00 0.00 61.79 60.89 3k4i h SER 27 Cb -0.02 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 62.31 3k4i h SER 27 CO -0.03 0.67 -0.06 -0.07 -1.14 0.00 0.00 176.83 176.20 3k4i h LEU 28 N 0.76 1.03 -0.44 5.07 3.38 -1.32 -1.11 115.31 122.68 3k4i h LEU 28 Ca 0.19 -0.31 -0.05 0.00 0.09 0.00 0.00 57.88 57.80 3k4i h LEU 28 Cb 0.12 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.58 3k4i h LEU 28 CO -0.02 1.11 0.09 -1.28 0.09 0.00 0.00 178.44 178.42 3k4i h SER 29 N 0.93 0.68 -0.56 -0.43 0.87 -0.77 -0.60 113.55 113.68 3k4i h SER 29 Ca 0.16 -0.25 -0.03 0.00 -1.23 0.00 0.00 61.79 60.44 3k4i h SER 29 Cb 0.62 -0.18 -0.03 0.00 -0.44 0.00 0.00 62.40 62.37 3k4i h SER 29 CO 0.04 0.76 0.27 0.44 -0.53 0.00 0.00 176.83 177.80 3k4i h ASP 30 N 0.58 0.77 -0.18 6.23 3.32 -0.88 0.49 116.42 126.76 3k4i h ASP 30 Ca 0.13 -0.08 -0.02 0.00 0.02 0.00 0.00 57.03 57.08 3k4i h ASP 30 Cb 0.36 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.70 3k4i h ASP 30 CO 0.01 0.67 0.01 0.00 -1.72 0.00 0.00 179.24 178.21 3k4i h ALA 31 N 1.45 0.24 -0.63 3.45 0.00 -0.92 -1.86 119.26 120.99 3k4i h ALA 31 Ca 0.21 -0.19 0.05 0.00 0.00 0.00 0.00 54.91 54.98 3k4i h ALA 31 Cb 0.12 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 17.79 3k4i h ALA 31 CO -0.02 -0.07 0.35 -0.07 0.00 0.00 0.00 179.25 179.43 3k4i h LEU 32 N 0.07 0.52 -1.32 0.00 3.38 -0.78 -2.40 115.31 114.78 3k4i h LEU 32 Ca 0.05 0.03 0.02 0.00 0.09 0.00 0.00 57.88 58.07 3k4i h LEU 32 Cb 0.35 -0.08 -0.04 0.00 0.09 0.00 0.00 40.66 40.99 3k4i h LEU 32 CO 0.01 0.34 0.47 0.44 0.09 0.00 0.00 178.44 179.79 3k4i h ASP 33 N 0.66 0.78 0.45 -0.43 3.32 -0.61 0.21 116.42 120.80 3k4i h ASP 33 Ca 0.28 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.31 3k4i h ASP 33 Cb 0.16 -0.19 0.00 0.00 0.22 0.00 0.00 39.33 39.52 3k4i h ASP 33 CO -0.17 0.55 0.00 -1.54 -1.72 0.00 0.00 179.24 176.36 3k4i n SER 34 N -4.44 0.43 -0.73 6.45 3.41 -0.73 -1.17 113.62 116.84 3k4i n SER 34 Ca 0.08 0.63 0.09 0.00 -0.26 0.00 0.00 58.87 59.41 3k4i n SER 34 Cb 0.08 -0.71 0.09 0.00 -0.26 0.00 0.00 64.21 63.40 3k4i n SER 34 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3k4i n LEU 35 N -2.00 2.54 0.00 1.04 4.77 0.67 -4.99 117.00 119.03 3k4i n LEU 35 Ca 0.01 -1.07 0.00 0.00 -0.03 0.00 0.00 56.01 54.92 3k4i n LEU 35 Cb 0.15 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.22 3k4i n LEU 35 CO 0.14 0.47 0.00 0.61 -1.33 0.00 0.00 177.39 177.28 3k4i n GLY 36 N 1.00 0.68 3.07 -0.72 0.00 -0.32 -5.06 105.19 103.85 3k4i n GLY 36 Ca 0.11 -0.55 -0.26 0.00 0.00 0.00 0.00 46.02 45.31 3k4i n GLY 36 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3k4i s ILE 37 N -2.00 1.34 0.11 -0.61 1.01 -0.94 -5.00 121.20 115.11 3k4i s ILE 37 Ca 0.00 -0.61 -0.26 0.00 0.00 0.00 0.00 60.65 59.78 3k4i s ILE 37 Cb 0.00 -1.20 -0.07 0.00 0.01 0.00 0.00 42.46 41.21 3k4i s ILE 37 CO 0.00 0.40 0.80 -1.81 0.00 0.00 0.00 174.94 174.33 3k4i s ASP 38 N 0.53 7.34 0.00 3.58 1.01 -1.26 -3.21 116.67 124.66 3k4i s ASP 38 Ca -0.14 1.59 0.00 0.00 0.71 0.00 0.00 52.55 54.71 3k4i s ASP 38 Cb -0.16 -2.50 0.00 0.00 1.01 0.00 0.00 42.92 41.27 3k4i s ASP 38 CO 0.05 0.09 0.00 0.61 0.21 0.00 0.00 175.17 176.13 3k4i n GLY 39 N 2.02 0.77 3.77 0.21 0.00 -1.26 -4.95 105.19 105.75 3k4i n GLY 39 Ca -0.03 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.61 3k4i n GLY 39 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3k4i s GLY 40 N -1.04 2.89 -0.70 -0.02 0.00 -1.26 -0.81 107.32 106.37 3k4i s GLY 40 Ca 0.00 0.66 -0.12 0.00 0.00 0.00 0.00 44.72 45.26 3k4i s GLY 40 CO 0.00 1.15 0.62 1.08 0.00 0.00 0.00 173.10 175.95 3k4i s LEU 41 N -1.96 6.31 0.40 0.66 1.43 -0.57 -4.96 118.68 119.99 3k4i s LEU 41 Ca 0.50 -2.44 -0.25 0.00 -1.03 0.00 0.00 54.13 50.90 3k4i s LEU 41 Cb -0.23 -2.14 -0.08 0.00 0.03 0.00 0.00 46.19 43.77 3k4i s LEU 41 CO 0.29 -0.62 1.19 -2.16 0.23 0.00 0.00 176.35 175.29 3k4i s PRO 42 N 0.56 4.04 0.00 1.29 0.04 -1.26 -2.46 135.00 137.21 3k4i s PRO 42 Ca 0.13 1.89 0.00 0.00 0.04 0.00 0.00 61.00 63.06 3k4i s PRO 42 Cb -0.18 -2.69 0.00 0.00 0.04 0.00 0.00 34.50 31.67 3k4i s PRO 42 CO -0.05 -0.34 0.00 0.41 0.04 0.00 0.00 177.00 177.06 3k4i n GLY 43 N 0.65 2.10 3.39 0.56 0.00 -1.26 -4.98 105.19 105.64 3k4i n GLY 43 Ca 0.04 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.61 3k4i n GLY 43 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3k4i s ILE 44 N -2.67 4.93 0.05 -0.61 1.01 -1.03 -4.15 121.20 118.72 3k4i s ILE 44 Ca 0.00 -1.38 -0.08 0.00 0.00 0.00 0.00 60.65 59.19 3k4i s ILE 44 Cb 0.00 -4.56 -0.05 0.00 0.01 0.00 0.00 42.46 37.85 3k4i s ILE 44 CO 0.00 -1.21 0.33 0.00 0.00 0.00 0.00 174.94 174.06 3k4i s ALA 45 N 2.27 3.79 0.11 9.38 0.00 -0.01 -4.12 121.76 133.17 3k4i s ALA 45 Ca 0.18 -0.49 -0.33 0.00 0.00 0.00 0.00 51.96 51.33 3k4i s ALA 45 Cb -0.17 -2.16 -0.12 0.00 0.00 0.00 0.00 23.12 20.67 3k4i s ALA 45 CO -0.00 0.61 1.75 0.45 0.00 0.00 0.00 175.76 178.57 3k4i n SER 46 N 0.95 3.60 -0.00 0.00 2.88 -1.26 -1.20 113.62 118.59 3k4i n SER 46 Ca -0.09 1.03 0.10 0.00 -1.33 0.00 0.00 58.87 58.57 3k4i n SER 46 Cb 0.52 -1.47 -0.12 0.00 -0.75 0.00 0.00 64.21 62.39 3k4i n SER 46 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3k4i n GLN 47 N 4.89 0.35 -3.96 -1.46 1.13 -0.26 -4.85 117.38 113.21 3k4i n GLN 47 Ca 0.18 -0.01 -0.30 0.00 -1.94 0.00 0.00 57.00 54.93 3k4i n GLN 47 Cb 0.33 -1.45 -0.16 0.00 0.11 0.00 0.00 30.24 29.07 3k4i n GLN 47 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 3k4i s VAL 48 N -2.92 1.60 0.30 5.09 1.01 -1.26 -4.94 120.40 119.28 3k4i s VAL 48 Ca 0.07 -1.21 -0.29 0.00 0.00 0.00 0.00 61.98 60.55 3k4i s VAL 48 Cb 0.15 -1.81 -0.12 0.00 0.00 0.00 0.00 36.38 34.59 3k4i s VAL 48 CO 0.83 -0.04 1.39 -2.65 0.00 0.00 0.00 175.10 174.62 3k4i n PRO 49 N 4.66 2.22 -0.98 2.72 -0.02 -1.26 -2.77 135.00 139.56 3k4i n PRO 49 Ca -0.13 0.78 0.00 0.00 -2.02 0.00 0.00 63.50 62.14 3k4i n PRO 49 Cb 0.44 -2.43 0.00 0.00 -0.02 0.00 0.00 33.50 31.49 3k4i n PRO 49 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3k4i n GLY 50 N 1.43 0.60 3.97 -1.23 0.00 -1.26 -5.04 105.19 103.65 3k4i n GLY 50 Ca 0.07 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.89 3k4i n GLY 50 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3k4i s THR 51 N -2.36 4.89 0.16 2.61 -4.23 -1.11 -5.08 115.64 110.53 3k4i s THR 51 Ca 0.00 -1.02 -0.21 0.00 -1.18 0.00 0.00 61.69 59.28 3k4i s THR 51 Cb 0.00 -3.71 0.06 0.00 1.34 0.00 0.00 72.50 70.19 3k4i s THR 51 CO 0.00 -0.29 0.57 0.00 -0.54 0.00 0.00 174.62 174.36 3k4i s ARG 52 N -4.02 1.28 0.02 3.99 1.70 -1.26 -4.08 118.95 116.58 3k4i s ARG 52 Ca 0.37 -0.57 -0.15 0.00 -0.47 0.00 0.00 55.73 54.91 3k4i s ARG 52 Cb -0.09 0.57 0.02 0.00 -0.57 0.00 0.00 34.95 34.88 3k4i s ARG 52 CO 0.29 -0.55 0.33 0.00 -1.08 0.00 0.00 175.30 174.29 3k4i s VAL 54 N -2.11 0.81 -0.04 0.00 1.01 -1.26 -0.99 120.40 117.83 3k4i s VAL 54 Ca -0.08 -0.29 -0.12 0.00 0.00 0.00 0.00 61.98 61.48 3k4i s VAL 54 Cb -0.02 -0.78 0.04 0.00 0.00 0.00 0.00 36.38 35.62 3k4i s VAL 54 CO -0.00 0.28 0.55 0.61 0.00 0.00 0.00 175.10 176.54 3k4i n GLY 55 N 3.89 0.29 3.73 4.51 0.00 -1.26 -4.88 105.19 111.47 3k4i n GLY 55 Ca -0.24 -0.89 -0.36 0.00 0.00 0.00 0.00 46.02 44.53 3k4i n GLY 55 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3k4i s ILE 56 N -2.01 5.30 0.19 -0.61 -1.09 -0.91 -4.50 121.20 117.56 3k4i s ILE 56 Ca 0.13 0.58 -0.32 0.00 -2.23 0.00 0.00 60.65 58.81 3k4i s ILE 56 Cb -0.00 -3.64 -0.11 0.00 -1.58 0.00 0.00 42.46 37.13 3k4i s ILE 56 CO -0.01 0.39 1.62 0.00 -1.23 0.00 0.00 174.94 175.71 3k4i s ALA 57 N 0.44 3.83 -0.22 9.38 0.00 0.18 -0.60 121.76 134.78 3k4i s ALA 57 Ca 0.17 1.45 0.02 0.00 0.00 0.00 0.00 51.96 53.60 3k4i s ALA 57 Cb -0.13 -3.65 0.04 0.00 0.00 0.00 0.00 23.12 19.38 3k4i s ALA 57 CO 0.04 -0.83 -0.15 0.12 0.00 0.00 0.00 175.76 174.94 3k4i s PHE 58 N 1.10 3.01 0.10 0.00 5.36 -0.58 -1.15 117.98 125.82 3k4i s PHE 58 Ca 0.71 -1.93 -0.11 0.00 -0.96 0.00 0.00 56.93 54.65 3k4i s PHE 58 Cb -0.46 -1.93 -0.06 0.00 -0.34 0.00 0.00 43.02 40.23 3k4i s PHE 58 CO 0.32 -0.83 0.44 0.95 -1.46 0.00 0.00 175.22 174.64 3k4i s THR 59 N 1.21 5.04 -0.05 0.12 -4.23 -1.26 -0.88 115.64 115.59 3k4i s THR 59 Ca -0.01 0.52 -0.00 0.00 -1.18 0.00 0.00 61.69 61.02 3k4i s THR 59 Cb -0.16 -3.66 0.03 0.00 1.34 0.00 0.00 72.50 70.04 3k4i s THR 59 CO -0.09 0.26 -0.01 -0.69 -0.54 0.00 0.00 174.62 173.54 3k4i s VAL 60 N -1.44 0.36 -0.13 2.29 1.01 -0.22 -0.61 120.40 121.67 3k4i s VAL 60 Ca 0.35 0.04 0.02 0.00 0.00 0.00 0.00 61.98 62.38 3k4i s VAL 60 Cb -0.14 -0.46 -0.00 0.00 0.00 0.00 0.00 36.38 35.78 3k4i s VAL 60 CO 0.19 0.21 -0.18 -1.58 0.00 0.00 0.00 175.10 173.74 3k4i s GLN 61 N 1.35 3.18 0.36 2.72 2.00 -0.00 -0.69 119.66 128.58 3k4i s GLN 61 Ca -0.05 -0.79 0.07 0.00 -2.00 0.00 0.00 55.36 52.60 3k4i s GLN 61 Cb -0.13 -2.50 -0.01 0.00 0.80 0.00 0.00 33.01 31.17 3k4i s GLN 61 CO -0.02 0.11 0.46 0.71 -0.50 0.00 0.00 175.29 176.04 3k4i s TYR 62 N 0.56 2.98 0.24 1.67 2.02 -0.62 -0.67 117.35 123.52 3k4i s TYR 62 Ca -0.11 -0.30 -0.14 0.00 -0.37 0.00 0.00 57.07 56.16 3k4i s TYR 62 Cb -0.16 -2.07 0.00 0.00 -0.40 0.00 0.00 41.96 39.33 3k4i s TYR 62 CO 0.04 -0.09 0.49 1.14 -1.57 0.00 0.00 175.55 175.56 3k4i s GLN 63 N -4.18 1.53 0.66 -0.62 -2.07 0.07 -4.70 119.66 110.34 3k4i s GLN 63 Ca 0.47 -1.19 -0.18 0.00 -1.82 0.00 0.00 55.36 52.64 3k4i s GLN 63 Cb -0.09 0.48 -0.01 0.00 -1.09 0.00 0.00 33.01 32.30 3k4i s GLN 63 CO 0.31 -0.64 1.16 -2.30 -1.32 0.00 0.00 175.29 172.50 3k4i n PRO 64 N -0.37 0.93 -1.69 9.60 -0.02 -1.26 -1.62 135.00 140.57 3k4i n PRO 64 Ca -0.03 0.37 -0.44 0.00 -2.02 0.00 0.00 63.50 61.38 3k4i n PRO 64 Cb 0.62 -2.40 -0.03 0.00 -0.02 0.00 0.00 33.50 31.68 3k4i n PRO 64 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 3k4i n VAL 65 N -2.03 0.85 0.00 -1.45 0.31 -1.26 -4.59 118.33 110.16 3k4i n VAL 65 Ca 0.15 -0.21 0.00 0.00 -0.01 0.00 0.00 64.34 64.27 3k4i n VAL 65 Cb 0.48 -1.61 0.00 0.00 -0.91 0.00 0.00 33.84 31.81 3k4i n VAL 65 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 3k4i n ASP 66 N 2.32 0.00 0.00 4.52 -0.08 -1.26 -5.01 116.55 117.05 3k4i n ASP 66 Ca 0.11 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.39 3k4i n ASP 66 Cb 0.32 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.78 3k4i n ASP 66 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 3k4i n ALA 67 N -1.76 0.00 -0.29 -1.67 0.00 -1.26 -5.22 120.51 110.31 3k4i n ALA 67 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3k4i n ALA 67 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3k4i n ALA 67 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3k4i n SER 68 N 0.21 0.00 0.00 0.00 7.64 -1.26 -5.33 113.62 114.88 3k4i n SER 68 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 3k4i n SER 68 Cb 0.00 -1.70 0.00 0.00 -1.01 0.00 0.00 64.21 61.50 3k4i n SER 68 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3k4i n ALA 75 N 0.92 0.00 -0.49 -0.43 0.00 -1.26 -5.29 120.51 113.96 3k4i n ALA 75 Ca 0.00 0.00 0.41 0.00 0.00 0.00 0.00 53.44 53.85 3k4i n ALA 75 Cb 0.00 0.00 0.69 0.00 0.00 0.00 0.00 19.45 20.14 3k4i n ALA 75 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 3k4i n ASN 76 N 0.00 0.20 0.31 0.00 0.23 -1.26 -0.71 115.26 114.03 3k4i n ASN 76 Ca 0.00 1.36 0.21 0.00 -0.53 0.00 0.00 54.58 55.63 3k4i n ASN 76 Cb 0.00 -0.67 1.13 0.00 -2.08 0.00 0.00 39.78 38.16 3k4i n ASN 76 CO 0.00 0.00 0.00 0.10 -0.93 0.00 0.00 177.26 176.43 3k4i h TYR 77 N 0.00 0.00 0.00 -2.53 -0.00 -2.04 -3.20 116.97 109.19 3k4i h TYR 77 Ca 0.89 0.00 -0.05 0.00 -0.00 0.00 0.00 58.73 59.57 3k4i h TYR 77 Cb 2.93 0.00 -0.01 0.00 -0.00 0.00 0.00 36.73 39.65 3k4i h TYR 77 CO -0.01 0.00 -0.23 0.97 -0.00 0.00 0.00 178.16 178.89 3k4i h ILE 78 N 0.00 0.96 0.00 -0.90 2.10 -1.36 -1.17 117.51 117.14 3k4i h ILE 78 Ca 0.00 -0.87 0.00 0.00 1.08 0.00 0.00 64.86 65.07 3k4i h ILE 78 Cb 0.01 1.50 0.00 0.00 -1.09 0.00 0.00 36.82 37.24 3k4i h ILE 78 CO 0.00 0.23 0.10 0.44 -1.08 0.00 0.00 178.15 177.84 3k4i h ASP 79 N 0.00 0.00 0.98 2.19 3.32 -1.80 -2.31 116.42 118.80 3k4i h ASP 79 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3k4i h ASP 79 Cb 0.48 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.03 3k4i h ASP 79 CO 0.03 0.00 -0.48 0.00 -1.72 0.00 0.00 179.24 177.07 3k4i n GLN 80 N -2.88 0.27 -2.66 3.56 6.02 -0.44 -4.93 117.38 116.32 3k4i n GLN 80 Ca -0.02 0.11 -0.43 0.00 -0.01 0.00 0.00 57.00 56.65 3k4i n GLN 80 Cb 0.16 -1.70 -0.02 0.00 1.02 0.00 0.00 30.24 29.69 3k4i n GLN 80 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 3k4i s VAL 81 N -3.14 4.71 0.55 5.09 1.01 -0.87 -5.01 120.40 122.74 3k4i s VAL 81 Ca 0.07 2.02 -0.19 0.00 0.00 0.00 0.00 61.98 63.88 3k4i s VAL 81 Cb 0.13 -4.30 -0.05 0.00 0.00 0.00 0.00 36.38 32.16 3k4i s VAL 81 CO 0.69 -0.10 1.13 -2.84 0.00 0.00 0.00 175.10 173.98 3k4i s PRO 82 N 2.71 3.31 0.19 2.72 0.02 -1.26 -4.98 135.00 137.70 3k4i s PRO 82 Ca 0.46 1.62 -0.33 0.00 0.02 0.00 0.00 61.00 62.77 3k4i s PRO 82 Cb -0.17 -2.00 -0.15 0.00 0.02 0.00 0.00 34.50 32.21 3k4i s PRO 82 CO 0.11 -0.89 1.36 0.45 -0.33 0.00 0.00 177.00 177.71 3k4i n SER 83 N -1.36 2.29 0.00 2.53 2.88 -1.26 -2.27 113.62 116.43 3k4i n SER 83 Ca 0.12 1.13 0.00 0.00 -1.33 0.00 0.00 58.87 58.79 3k4i n SER 83 Cb 0.51 -1.34 0.00 0.00 -0.75 0.00 0.00 64.21 62.63 3k4i n SER 83 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3k4i n GLY 84 N 2.40 0.60 3.81 0.46 0.00 0.28 -4.99 105.19 107.75 3k4i n GLY 84 Ca 0.14 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.83 3k4i n GLY 84 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3k4i s SER 85 N -2.92 6.80 -0.21 1.61 0.01 -0.96 -2.14 113.70 115.89 3k4i s SER 85 Ca 0.00 1.77 -0.05 0.00 1.31 0.00 0.00 55.95 58.98 3k4i s SER 85 Cb 0.00 -2.55 -0.02 0.00 0.21 0.00 0.00 66.02 63.66 3k4i s SER 85 CO 0.00 -0.46 -0.00 -0.69 0.41 0.00 0.00 173.24 172.50 3k4i s VAL 86 N -2.09 3.87 0.01 3.43 1.01 0.23 -0.47 120.40 126.40 3k4i s VAL 86 Ca 0.63 -0.34 -0.28 0.00 0.00 0.00 0.00 61.98 61.99 3k4i s VAL 86 Cb -0.12 -2.76 -0.04 0.00 0.00 0.00 0.00 36.38 33.47 3k4i s VAL 86 CO 0.16 0.42 0.89 -0.63 0.00 0.00 0.00 175.10 175.93 3k4i s ILE 87 N 1.10 4.82 -0.22 2.22 1.01 -0.25 -1.53 121.20 128.36 3k4i s ILE 87 Ca 0.02 1.87 0.01 0.00 0.00 0.00 0.00 60.65 62.56 3k4i s ILE 87 Cb -0.14 -4.23 0.05 0.00 0.01 0.00 0.00 42.46 38.14 3k4i s ILE 87 CO 0.01 0.24 -0.11 -0.69 0.00 0.00 0.00 174.94 174.39 3k4i s VAL 88 N 0.63 1.81 -0.12 2.92 1.01 -0.06 -0.42 120.40 126.18 3k4i s VAL 88 Ca 0.46 -1.21 0.01 0.00 0.00 0.00 0.00 61.98 61.24 3k4i s VAL 88 Cb -0.21 -1.90 -0.01 0.00 0.00 0.00 0.00 36.38 34.26 3k4i s VAL 88 CO 0.26 0.11 -0.15 -0.44 0.00 0.00 0.00 175.10 174.88 3k4i s SER 89 N 1.30 3.83 -0.17 3.32 0.01 0.30 -1.05 113.70 121.23 3k4i s SER 89 Ca -0.03 -0.37 0.01 0.00 1.31 0.00 0.00 55.95 56.87 3k4i s SER 89 Cb -0.17 -1.54 0.02 0.00 0.21 0.00 0.00 66.02 64.53 3k4i s SER 89 CO -0.08 0.17 -0.20 -0.55 0.41 0.00 0.00 173.24 173.00 3k4i s SER 90 N 0.31 3.18 -0.29 2.44 0.15 0.14 -0.53 113.70 119.09 3k4i s SER 90 Ca -0.12 -0.63 0.16 0.00 0.70 0.00 0.00 55.95 56.06 3k4i s SER 90 Cb -0.16 -1.48 0.48 0.00 -1.71 0.00 0.00 66.02 63.15 3k4i s SER 90 CO 0.06 0.02 1.12 -3.20 1.20 0.00 0.00 173.24 172.44 3k4i n ASN 91 N 4.50 2.95 -2.36 5.45 5.15 -0.49 -1.59 115.26 128.88 3k4i n ASN 91 Ca -0.21 -2.82 -0.19 0.00 -0.60 0.00 0.00 54.58 50.77 3k4i n ASN 91 Cb 0.50 -0.44 -0.01 0.00 -0.53 0.00 0.00 39.78 39.30 3k4i n ASN 91 CO 0.00 0.00 0.00 -1.20 1.40 0.00 0.00 177.26 177.46 3k4i n SER 92 N -0.57 -5.38 -1.49 1.20 7.64 -1.25 -1.50 113.62 112.27 3k4i n SER 92 Ca 0.22 0.06 -0.19 0.00 1.01 0.00 0.00 58.87 59.97 3k4i n SER 92 Cb 0.85 -4.51 -0.08 0.00 -1.01 0.00 0.00 64.21 59.45 3k4i n SER 92 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3k4i n GLY 93 N -0.93 1.84 3.76 0.23 0.00 -0.99 -4.93 105.19 104.18 3k4i n GLY 93 Ca -0.22 -0.09 -0.41 0.00 0.00 0.00 0.00 46.02 45.30 3k4i n GLY 93 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3k4i s ARG 94 N -3.66 4.32 0.00 1.61 0.52 -0.57 -4.63 118.95 116.55 3k4i s ARG 94 Ca 0.00 2.25 0.16 0.00 -0.52 0.00 0.00 55.73 57.62 3k4i s ARG 94 Cb 0.00 -3.08 -0.01 0.00 0.52 0.00 0.00 34.95 32.37 3k4i s ARG 94 CO 0.00 -0.28 0.85 0.72 0.02 0.00 0.00 175.30 176.61 3k4i n HIS 95 N 1.36 0.00 1.14 -0.53 8.25 -1.26 -3.21 115.22 120.96 3k4i n HIS 95 Ca 0.02 0.00 0.12 0.00 -0.26 0.00 0.00 57.72 57.61 3k4i n HIS 95 Cb 0.41 0.00 0.20 0.00 1.12 0.00 0.00 29.99 31.72 3k4i n HIS 95 CO 0.00 0.00 0.00 -0.40 0.64 0.00 0.00 176.34 176.58 3k4i n ASP 96 N -0.17 1.68 -3.67 0.41 5.75 -1.26 -4.90 116.55 114.39 3k4i n ASP 96 Ca 0.07 -1.32 -0.10 0.00 -0.01 0.00 0.00 54.79 53.42 3k4i n ASP 96 Cb 0.34 0.26 -0.05 0.00 -1.03 0.00 0.00 41.12 40.64 3k4i n ASP 96 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3k4i s THR 98 N -3.62 3.38 -0.12 0.00 -4.23 -0.07 -4.32 115.64 106.67 3k4i s THR 98 Ca 0.02 -1.34 0.15 0.00 -1.18 0.00 0.00 61.69 59.35 3k4i s THR 98 Cb 0.02 -2.61 0.36 0.00 1.34 0.00 0.00 72.50 71.61 3k4i s THR 98 CO -0.10 0.06 1.17 1.33 -0.54 0.00 0.00 174.62 176.54 3k4i n VAL 99 N 0.53 1.31 -3.63 2.29 0.24 -0.92 -2.82 118.33 115.33 3k4i n VAL 99 Ca -0.13 -2.13 -0.13 0.00 -2.04 0.00 0.00 64.34 59.91 3k4i n VAL 99 Cb 0.53 0.18 -0.07 0.00 -1.47 0.00 0.00 33.84 33.01 3k4i n VAL 99 CO 0.00 0.00 0.00 0.86 -2.14 0.00 0.00 176.83 175.55 3k4i s TRP 100 N -1.94 -0.73 0.00 6.34 -0.11 -1.26 -5.01 118.94 116.22 3k4i s TRP 100 Ca 0.32 1.79 0.00 0.00 1.22 0.00 0.00 56.10 59.43 3k4i s TRP 100 Cb 0.32 0.29 0.00 0.00 -1.50 0.00 0.00 33.47 32.58 3k4i s TRP 100 CO -0.07 -0.35 0.00 0.41 -4.62 0.00 0.00 176.95 172.31 3k4i n GLY 101 N 2.62 3.35 0.13 5.86 0.00 -1.26 -0.76 105.19 115.13 3k4i n GLY 101 Ca -0.14 -0.76 -0.11 0.00 0.00 0.00 0.00 46.02 45.02 3k4i n GLY 101 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 3k4i h ASP 102 N 0.00 0.34 0.00 1.61 3.04 -1.84 -1.16 116.42 118.41 3k4i h ASP 102 Ca 0.00 -0.19 0.00 0.00 -3.24 0.00 0.00 57.03 53.60 3k4i h ASP 102 Cb 0.00 -0.09 0.00 0.00 -1.04 0.00 0.00 39.33 38.20 3k4i h ASP 102 CO 0.00 0.43 0.00 -0.38 -2.04 0.00 0.00 179.24 177.25 3k4i n ILE 103 N -4.78 0.00 0.00 4.15 5.41 -1.26 -0.48 119.36 122.40 3k4i n ILE 103 Ca -0.03 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.72 3k4i n ILE 103 Cb 0.14 -0.15 0.00 0.00 -0.71 0.00 0.00 39.64 38.93 3k4i n ILE 103 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 176.55 176.96 3k4i n THR 105 N 0.17 0.00 -0.34 1.39 -1.04 -0.44 -0.38 114.28 113.64 3k4i n THR 105 Ca 0.00 0.00 -0.03 0.00 -2.04 0.00 0.00 64.05 61.98 3k4i n THR 105 Cb 0.00 0.00 0.09 0.00 -1.82 0.00 0.00 70.33 68.60 3k4i n THR 105 CO 0.00 0.00 0.00 0.45 -0.64 0.00 0.00 175.07 174.88 3k4i h HIS 106 N 0.00 1.14 -0.08 -1.42 -0.00 -1.05 -1.97 115.15 111.77 3k4i h HIS 106 Ca 0.00 0.02 0.00 0.00 -0.00 0.00 0.00 60.37 60.40 3k4i h HIS 106 Cb 0.00 -0.39 -0.00 0.00 -0.00 0.00 0.00 27.41 27.02 3k4i h HIS 106 CO 0.00 0.72 0.04 0.35 -0.00 0.00 0.00 177.93 179.04 3k4i h PHE 107 N 1.23 0.08 -0.51 2.45 3.57 -0.94 -2.29 116.94 120.53 3k4i h PHE 107 Ca 0.33 0.00 0.09 0.00 3.53 0.00 0.00 57.97 61.93 3k4i h PHE 107 Cb -0.14 -0.03 -0.08 0.00 2.79 0.00 0.00 35.95 38.50 3k4i h PHE 107 CO -0.01 0.05 0.06 0.00 -2.23 0.00 0.00 178.31 176.18 3k4i h ALA 108 N 1.03 0.55 0.00 2.41 0.00 -1.74 -0.72 119.26 120.79 3k4i h ALA 108 Ca 0.03 0.13 -0.03 0.00 0.00 0.00 0.00 54.91 55.04 3k4i h ALA 108 Cb -0.00 0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.98 3k4i h ALA 108 CO -0.01 -0.34 -0.13 -0.07 0.00 0.00 0.00 179.25 178.69 3k4i h LEU 109 N 0.19 0.00 0.00 0.00 3.38 -1.21 -2.17 115.31 115.50 3k4i h LEU 109 Ca 0.26 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.23 3k4i h LEU 109 Cb 0.38 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.13 3k4i h LEU 109 CO -0.38 0.13 -0.71 0.00 0.09 0.00 0.00 178.44 177.58 3k4i n ALA 110 N -2.29 3.77 -1.52 1.53 0.00 -0.40 -4.49 120.51 117.10 3k4i n ALA 110 Ca -0.02 -0.41 0.06 0.00 0.00 0.00 0.00 53.44 53.07 3k4i n ALA 110 Cb 0.25 -1.02 0.09 0.00 0.00 0.00 0.00 19.45 18.77 3k4i n ALA 110 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3k4i n ASN 111 N -1.61 1.44 -0.43 0.00 3.02 -0.46 -5.00 115.26 112.23 3k4i n ASN 111 Ca 0.04 -2.76 -0.06 0.00 -0.03 0.00 0.00 54.58 51.78 3k4i n ASN 111 Cb 0.36 -0.36 -0.02 0.00 -0.61 0.00 0.00 39.78 39.14 3k4i n ASN 111 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3k4i n GLY 112 N -0.81 0.80 3.70 7.41 0.00 -1.05 -4.14 105.19 111.09 3k4i n GLY 112 Ca 0.11 -0.57 -0.41 0.00 0.00 0.00 0.00 46.02 45.15 3k4i n GLY 112 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3k4i s ILE 113 N -2.13 4.94 -0.11 -0.61 1.01 -0.85 -0.56 121.20 122.89 3k4i s ILE 113 Ca 0.00 1.67 0.15 0.00 0.00 0.00 0.00 60.65 62.48 3k4i s ILE 113 Cb 0.00 -4.15 -0.09 0.00 0.01 0.00 0.00 42.46 38.23 3k4i s ILE 113 CO 0.00 0.14 1.01 0.11 0.00 0.00 0.00 174.94 176.21 3k4i h LYS 114 N 6.98 0.00 0.00 2.79 1.79 -1.07 -3.41 116.57 123.64 3k4i h LYS 114 Ca -0.37 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.10 3k4i h LYS 114 Cb 1.18 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.83 3k4i h LYS 114 CO 0.79 0.40 0.00 0.41 -1.08 0.00 0.00 179.45 179.96 3k4i n GLY 115 N 1.35 0.18 2.86 3.86 0.00 -1.25 -4.42 105.19 107.78 3k4i n GLY 115 Ca -0.06 -0.91 -0.18 0.00 0.00 0.00 0.00 46.02 44.87 3k4i n GLY 115 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3k4i s THR 116 N -2.00 0.36 -0.14 2.61 2.01 -0.58 -1.09 115.64 116.80 3k4i s THR 116 Ca 0.00 -0.03 0.00 0.00 0.31 0.00 0.00 61.69 61.97 3k4i s THR 116 Cb 0.00 -0.41 -0.01 0.00 0.01 0.00 0.00 72.50 72.08 3k4i s THR 116 CO 0.00 0.18 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.28 3k4i s VAL 117 N 0.91 2.90 -0.11 3.82 1.01 0.44 -0.78 120.40 128.59 3k4i s VAL 117 Ca -0.11 -0.71 0.00 0.00 0.00 0.00 0.00 61.98 61.17 3k4i s VAL 117 Cb -0.14 -2.22 0.02 0.00 0.00 0.00 0.00 36.38 34.05 3k4i s VAL 117 CO -0.01 0.52 -0.09 -0.63 0.00 0.00 0.00 175.10 174.89 3k4i s ILE 118 N 0.51 1.12 -1.25 2.22 1.01 0.68 -0.54 121.20 124.94 3k4i s ILE 118 Ca -0.09 -0.36 -0.15 0.00 0.00 0.00 0.00 60.65 60.04 3k4i s ILE 118 Cb -0.16 -1.10 0.13 0.00 0.01 0.00 0.00 42.46 41.34 3k4i s ILE 118 CO 0.04 0.38 1.56 -0.67 0.00 0.00 0.00 174.94 176.25 3k4i n ASP 119 N 4.77 5.11 0.00 3.58 2.03 0.31 -3.33 116.55 129.02 3k4i n ASP 119 Ca -0.14 -2.96 0.00 0.00 0.52 0.00 0.00 54.79 52.21 3k4i n ASP 119 Cb 0.50 -1.64 0.00 0.00 -0.72 0.00 0.00 41.12 39.26 3k4i n ASP 119 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3k4i n GLY 120 N 4.58 0.13 3.40 0.27 0.00 -1.26 -1.39 105.19 110.92 3k4i n GLY 120 Ca 0.42 -1.53 -0.20 0.00 0.00 0.00 0.00 46.02 44.71 3k4i n GLY 120 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3k4i s VAL 121 N -2.85 1.51 0.20 1.61 -7.23 -1.20 -0.71 120.40 111.73 3k4i s VAL 121 Ca 0.00 -2.11 0.08 0.00 -1.81 0.00 0.00 61.98 58.14 3k4i s VAL 121 Cb 0.00 -2.41 -0.05 0.00 0.56 0.00 0.00 36.38 34.48 3k4i s VAL 121 CO 0.00 -0.32 -0.15 0.00 -0.31 0.00 0.00 175.10 174.32 3k4i s ALA 122 N -3.10 2.03 0.52 1.32 0.00 -1.04 -2.16 121.76 119.33 3k4i s ALA 122 Ca 0.29 -1.63 0.02 0.00 0.00 0.00 0.00 51.96 50.64 3k4i s ALA 122 Cb 0.04 -0.11 0.02 0.00 0.00 0.00 0.00 23.12 23.07 3k4i s ALA 122 CO 0.11 0.11 0.16 2.89 0.00 0.00 0.00 175.76 179.03 3k4i n ARG 123 N -0.24 0.74 -3.70 0.00 1.85 0.06 -1.52 116.66 113.85 3k4i n ARG 123 Ca -0.09 -3.59 -0.26 0.00 -1.00 0.00 0.00 57.85 52.91 3k4i n ARG 123 Cb 0.60 0.74 0.06 0.00 -1.05 0.00 0.00 32.46 32.81 3k4i n ARG 123 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 3k4i n ASP 124 N -1.51 -5.61 -0.19 2.89 8.00 -1.26 -4.25 116.55 114.62 3k4i n ASP 124 Ca -0.14 -0.63 0.07 0.00 0.71 0.00 0.00 54.79 54.81 3k4i n ASP 124 Cb 0.63 -4.65 0.36 0.00 -0.02 0.00 0.00 41.12 37.45 3k4i n ASP 124 CO 0.00 0.00 0.00 0.40 -0.39 0.00 0.00 177.20 177.21 3k4i h ILE 125 N -2.47 1.00 -0.69 0.53 1.08 -1.90 -1.78 117.51 113.28 3k4i h ILE 125 Ca -0.58 -0.25 -0.06 0.00 -0.39 0.00 0.00 64.86 63.58 3k4i h ILE 125 Cb 1.37 0.20 -0.03 0.00 -3.07 0.00 0.00 36.82 35.29 3k4i h ILE 125 CO 0.59 0.13 0.19 0.44 -0.69 0.00 0.00 178.15 178.81 3k4i h ASP 126 N 0.74 1.02 -0.34 1.72 3.32 -1.99 -0.06 116.42 120.83 3k4i h ASP 126 Ca 0.32 -0.20 -0.05 0.00 0.02 0.00 0.00 57.03 57.12 3k4i h ASP 126 Cb 0.31 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.58 3k4i h ASP 126 CO -0.11 0.97 0.03 0.74 -1.72 0.00 0.00 179.24 179.15 3k4i h THR 127 N 1.04 1.25 -0.43 0.35 2.02 -1.75 0.35 112.91 115.73 3k4i h THR 127 Ca 0.22 -0.91 0.01 0.00 0.77 0.00 0.00 66.41 66.51 3k4i h THR 127 Cb 0.34 1.18 -0.02 0.00 -1.74 0.00 0.00 68.15 67.90 3k4i h THR 127 CO -0.00 0.30 0.27 0.58 0.37 0.00 0.00 175.52 177.04 3k4i h VAL 128 N 0.40 1.09 -0.26 3.16 2.07 -1.07 0.16 116.25 121.81 3k4i h VAL 128 Ca 0.10 -0.19 -0.01 0.00 0.82 0.00 0.00 66.70 67.42 3k4i h VAL 128 Cb 0.41 0.48 -0.01 0.00 -1.52 0.00 0.00 31.29 30.64 3k4i h VAL 128 CO 0.01 0.10 0.12 0.40 0.02 0.00 0.00 177.57 178.22 3k4i h ILE 129 N 0.56 1.15 -0.60 4.57 2.04 -0.95 -1.33 117.51 122.96 3k4i h ILE 129 Ca 0.16 -0.44 0.00 0.00 1.00 0.00 0.00 64.86 65.58 3k4i h ILE 129 Cb -0.04 0.98 -0.03 0.00 -0.74 0.00 0.00 36.82 36.99 3k4i h ILE 129 CO -0.05 0.15 0.38 0.78 0.00 0.00 0.00 178.15 179.41 3k4i h ASN 130 N 0.28 0.70 0.68 1.72 2.35 -0.40 -0.85 115.58 120.05 3k4i h ASN 130 Ca 0.09 -0.02 0.00 0.00 -0.55 0.00 0.00 56.30 55.81 3k4i h ASN 130 Cb 0.14 -0.17 0.00 0.00 0.05 0.00 0.00 38.32 38.33 3k4i h ASN 130 CO -0.01 0.52 -0.11 0.00 -1.65 0.00 0.00 177.43 176.18 3k4i n ASN 132 N -1.33 -4.11 -4.74 0.00 4.05 -0.33 -4.95 115.26 103.86 3k4i n ASN 132 Ca 0.10 -0.78 -0.39 0.00 0.45 0.00 0.00 54.58 53.96 3k4i n ASN 132 Cb 0.31 -3.95 -0.06 0.00 1.23 0.00 0.00 39.78 37.30 3k4i n ASN 132 CO 0.00 0.00 0.00 -0.47 -3.05 0.00 0.00 177.26 173.74 3k4i s TYR 133 N -3.38 3.59 -0.80 1.20 5.04 -0.64 -4.99 117.35 117.37 3k4i s TYR 133 Ca 0.52 1.06 -0.25 0.00 -2.44 0.00 0.00 57.07 55.96 3k4i s TYR 133 Cb -0.26 -2.61 -0.01 0.00 0.35 0.00 0.00 41.96 39.44 3k4i s TYR 133 CO 0.82 0.23 1.70 -2.14 -1.34 0.00 0.00 175.55 174.83 3k4i s PRO 134 N 0.32 2.89 -0.14 4.97 0.02 -1.26 -4.78 135.00 137.02 3k4i s PRO 134 Ca 0.30 -0.15 -0.02 0.00 0.02 0.00 0.00 61.00 61.14 3k4i s PRO 134 Cb -0.17 -4.74 -0.02 0.00 0.02 0.00 0.00 34.50 29.59 3k4i s PRO 134 CO 0.14 -2.73 -0.07 -1.17 -0.33 0.00 0.00 177.00 172.84 3k4i s LEU 135 N 8.01 3.06 -0.06 -5.54 2.96 -1.26 -1.53 118.68 124.31 3k4i s LEU 135 Ca 0.58 -0.18 0.03 0.00 -0.22 0.00 0.00 54.13 54.33 3k4i s LEU 135 Cb -0.08 -1.71 0.01 0.00 0.50 0.00 0.00 46.19 44.91 3k4i s LEU 135 CO 0.07 0.19 -0.14 -0.36 -1.32 0.00 0.00 176.35 174.79 3k4i s PHE 136 N 0.23 1.58 0.30 5.38 0.08 0.04 -1.10 117.98 124.49 3k4i s PHE 136 Ca -0.05 -0.56 -0.20 0.00 0.12 0.00 0.00 56.93 56.24 3k4i s PHE 136 Cb -0.14 -1.12 0.04 0.00 -0.57 0.00 0.00 43.02 41.22 3k4i s PHE 136 CO 0.04 -0.26 0.77 -1.54 -0.10 0.00 0.00 175.22 174.13 3k4i s SER 137 N 0.51 -0.16 0.00 1.36 1.04 -0.34 -0.23 113.70 115.88 3k4i s SER 137 Ca -0.13 -0.77 0.23 0.00 0.48 0.00 0.00 55.95 55.76 3k4i s SER 137 Cb -0.15 0.74 1.38 0.00 0.10 0.00 0.00 66.02 68.09 3k4i s SER 137 CO 0.04 -1.42 1.88 0.54 0.98 0.00 0.00 173.24 175.26 3k4i n ARG 138 N -0.49 0.99 -2.12 4.02 1.74 0.11 -0.83 116.66 120.07 3k4i n ARG 138 Ca -0.06 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.02 3k4i n ARG 138 Cb 0.59 -1.36 0.00 0.00 -1.02 0.00 0.00 32.46 30.67 3k4i n ARG 138 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3k4i n GLY 139 N 0.84 -0.20 3.06 -0.13 0.00 -1.25 -4.95 105.19 102.56 3k4i n GLY 139 Ca 0.17 -1.54 -0.24 0.00 0.00 0.00 0.00 46.02 44.41 3k4i n GLY 139 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3k4i s ARG 140 N -2.00 1.62 0.00 1.61 0.52 -1.26 -2.50 118.95 116.93 3k4i s ARG 140 Ca 0.00 -0.47 0.00 0.00 -0.52 0.00 0.00 55.73 54.74 3k4i s ARG 140 Cb 0.00 -1.38 0.00 0.00 0.52 0.00 0.00 34.95 34.09 3k4i s ARG 140 CO 0.00 0.12 0.00 0.34 0.02 0.00 0.00 175.30 175.78 3k4i n PHE 141 N 3.47 0.00 -1.37 -0.53 -0.00 -0.58 -4.93 117.46 113.52 3k4i n PHE 141 Ca -0.20 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.25 3k4i n PHE 141 Cb 0.53 0.00 0.00 0.00 -0.00 0.00 0.00 39.48 40.01 3k4i n PHE 141 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 176.76 177.80 3k4i n GLN 143 N 0.00 -0.34 -1.70 -4.13 6.02 -1.26 -3.57 117.38 112.39 3k4i n GLN 143 Ca 0.00 0.25 -0.34 0.00 -0.01 0.00 0.00 57.00 56.90 3k4i n GLN 143 Cb 0.00 -0.74 0.06 0.00 1.02 0.00 0.00 30.24 30.58 3k4i n GLN 143 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 3k4i s SER 144 N -1.71 4.85 0.55 1.08 0.15 -1.26 -0.89 113.70 116.47 3k4i s SER 144 Ca 0.00 2.16 0.31 0.00 0.70 0.00 0.00 55.95 59.11 3k4i s SER 144 Cb 0.00 -2.57 1.60 0.00 -1.71 0.00 0.00 66.02 63.34 3k4i s SER 144 CO 0.00 -1.81 2.12 0.00 1.20 0.00 0.00 173.24 174.75 3k4i h ALA 145 N 0.06 1.22 -2.47 5.45 0.00 -1.86 -3.40 119.26 118.27 3k4i h ALA 145 Ca -0.48 -0.07 -0.54 0.00 0.00 0.00 0.00 54.91 53.83 3k4i h ALA 145 Cb 1.27 -0.01 0.04 0.00 0.00 0.00 0.00 17.79 19.09 3k4i h ALA 145 CO 0.53 0.10 1.08 1.17 0.00 0.00 0.00 179.25 182.13 3k4i n LYS 146 N -3.51 2.72 -1.11 0.00 4.81 -1.26 -0.01 118.16 119.80 3k4i n LYS 146 Ca -0.02 0.99 -0.04 0.00 -0.87 0.00 0.00 58.31 58.37 3k4i n LYS 146 Cb 0.21 -2.87 -0.02 0.00 0.02 0.00 0.00 35.03 32.37 3k4i n LYS 146 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 3k4i n ASN 147 N 5.43 -5.32 -0.01 3.14 5.03 -1.26 -4.77 115.26 117.50 3k4i n ASN 147 Ca 0.18 0.10 -0.01 0.00 0.87 0.00 0.00 54.58 55.71 3k4i n ASN 147 Cb 0.36 -3.16 -0.01 0.00 -1.02 0.00 0.00 39.78 35.95 3k4i n ASN 147 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 3k4i n ARG 148 N -0.42 0.04 -3.81 3.52 1.74 0.98 -4.94 116.66 113.77 3k4i n ARG 148 Ca -0.04 0.01 -0.09 0.00 -0.77 0.00 0.00 57.85 56.96 3k4i n ARG 148 Cb 0.44 -0.98 -0.07 0.00 -1.02 0.00 0.00 32.46 30.83 3k4i n ARG 148 CO 0.00 0.00 0.00 -0.08 -1.52 0.00 0.00 177.63 176.03 3k4i s THR 149 N -2.04 0.13 0.02 0.55 -1.32 -0.26 -4.35 115.64 108.37 3k4i s THR 149 Ca -0.02 -1.04 -0.03 0.00 -1.21 0.00 0.00 61.69 59.38 3k4i s THR 149 Cb 0.01 -1.27 -0.01 0.00 -1.51 0.00 0.00 72.50 69.72 3k4i s THR 149 CO 0.04 -0.57 0.04 0.00 -2.21 0.00 0.00 174.62 171.92 3k4i s GLN 150 N -3.71 0.43 0.27 7.08 -2.07 -0.64 -4.55 119.66 116.47 3k4i s GLN 150 Ca 0.04 -0.60 -0.30 0.00 -1.82 0.00 0.00 55.36 52.67 3k4i s GLN 150 Cb 0.04 0.16 -0.11 0.00 -1.09 0.00 0.00 33.01 32.02 3k4i s GLN 150 CO -0.10 -0.09 1.51 -0.51 -1.32 0.00 0.00 175.29 174.77 3k4i s LEU 151 N -1.63 4.37 -0.21 2.60 1.43 -1.26 -0.75 118.68 123.23 3k4i s LEU 151 Ca -0.13 2.80 -0.14 0.00 -1.03 0.00 0.00 54.13 55.64 3k4i s LEU 151 Cb -0.07 -3.63 -0.09 0.00 0.03 0.00 0.00 46.19 42.44 3k4i s LEU 151 CO -0.01 -0.80 -0.32 1.17 0.23 0.00 0.00 176.35 176.62 3k4i n LYS 152 N 2.17 0.51 -3.53 1.70 4.81 0.15 -4.80 118.16 119.17 3k4i n LYS 152 Ca 0.07 0.22 -0.15 0.00 -0.87 0.00 0.00 58.31 57.58 3k4i n LYS 152 Cb 0.39 -1.37 -0.05 0.00 0.02 0.00 0.00 35.03 34.02 3k4i n LYS 152 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3k4i s ALA 153 N -2.60 -1.82 0.20 3.14 0.00 -1.02 -5.03 121.76 114.62 3k4i s ALA 153 Ca -0.31 1.36 0.10 0.00 0.00 0.00 0.00 51.96 53.11 3k4i s ALA 153 Cb 0.10 -0.18 -0.04 0.00 0.00 0.00 0.00 23.12 22.99 3k4i s ALA 153 CO 0.42 -0.38 -0.16 0.14 0.00 0.00 0.00 175.76 175.79 3k4i s VAL 154 N -1.33 2.82 -0.99 0.00 -7.23 -1.26 -0.82 120.40 111.58 3k4i s VAL 154 Ca -0.07 -1.87 -0.05 0.00 -1.81 0.00 0.00 61.98 58.18 3k4i s VAL 154 Cb -0.00 -2.39 0.01 0.00 0.56 0.00 0.00 36.38 34.55 3k4i s VAL 154 CO 0.06 -0.15 0.66 0.00 -0.31 0.00 0.00 175.10 175.36 3k4i n GLN 155 N 0.04 -4.69 -4.33 4.82 1.13 0.22 -4.99 117.38 109.59 3k4i n GLN 155 Ca -0.11 0.60 -0.25 0.00 -1.94 0.00 0.00 57.00 55.30 3k4i n GLN 155 Cb 0.56 -4.87 -0.09 0.00 0.11 0.00 0.00 30.24 25.96 3k4i n GLN 155 CO 0.00 0.00 0.00 0.14 -1.44 0.00 0.00 177.06 175.76 3k4i s VAL 156 N -3.13 3.12 0.32 5.09 -7.23 -1.26 -4.81 120.40 112.50 3k4i s VAL 156 Ca 0.33 -1.90 -0.29 0.00 -1.81 0.00 0.00 61.98 58.31 3k4i s VAL 156 Cb -0.14 -2.60 -0.12 0.00 0.56 0.00 0.00 36.38 34.08 3k4i s VAL 156 CO 0.41 -0.25 1.49 -2.65 -0.31 0.00 0.00 175.10 173.79 3k4i n PRO 157 N -0.39 2.53 -4.16 4.82 -0.02 -1.26 -4.55 135.00 131.97 3k4i n PRO 157 Ca -0.08 0.89 -0.30 0.00 -2.02 0.00 0.00 63.50 61.99 3k4i n PRO 157 Cb 0.57 -2.61 -0.08 0.00 -0.02 0.00 0.00 33.50 31.36 3k4i n PRO 157 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3k4i s LEU 158 N -1.02 3.34 -0.19 2.45 1.43 0.32 -4.96 118.68 120.05 3k4i s LEU 158 Ca 0.60 -0.26 0.01 0.00 -1.03 0.00 0.00 54.13 53.45 3k4i s LEU 158 Cb -0.52 -2.08 0.04 0.00 0.03 0.00 0.00 46.19 43.67 3k4i s LEU 158 CO 0.56 0.17 -0.10 -0.69 0.23 0.00 0.00 176.35 176.51 3k4i s VAL 159 N -1.33 1.57 -0.20 -1.59 1.01 -1.26 -0.70 120.40 117.89 3k4i s VAL 159 Ca 0.25 -0.92 0.00 0.00 0.00 0.00 0.00 61.98 61.31 3k4i s VAL 159 Cb -0.11 -1.64 0.02 0.00 0.00 0.00 0.00 36.38 34.65 3k4i s VAL 159 CO 0.17 0.19 -0.15 -0.63 0.00 0.00 0.00 175.10 174.68 3k4i s ILE 160 N 1.43 2.33 -1.51 2.22 1.01 0.17 -4.67 121.20 122.18 3k4i s ILE 160 Ca -0.00 -1.00 -0.13 0.00 0.00 0.00 0.00 60.65 59.51 3k4i s ILE 160 Cb -0.16 -2.07 0.09 0.00 0.01 0.00 0.00 42.46 40.34 3k4i s ILE 160 CO -0.08 0.40 0.81 0.47 0.00 0.00 0.00 174.94 176.54 3k4i n ASP 161 N 4.62 -4.36 0.00 3.58 10.43 -1.26 -1.03 116.55 128.53 3k4i n ASP 161 Ca -0.19 -0.70 0.00 0.00 2.57 0.00 0.00 54.79 56.47 3k4i n ASP 161 Cb 0.49 -3.52 0.00 0.00 1.84 0.00 0.00 41.12 39.92 3k4i n ASP 161 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3k4i n GLY 162 N -1.50 0.80 3.56 0.44 0.00 -1.26 -5.01 105.19 102.22 3k4i n GLY 162 Ca 0.03 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.69 3k4i n GLY 162 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3k4i s ILE 163 N -3.25 4.81 0.02 -0.61 -1.09 -0.20 -5.08 121.20 115.79 3k4i s ILE 163 Ca 0.00 -0.01 -0.24 0.00 -2.23 0.00 0.00 60.65 58.17 3k4i s ILE 163 Cb 0.00 -3.23 -0.05 0.00 -1.58 0.00 0.00 42.46 37.60 3k4i s ILE 163 CO 0.00 0.36 0.74 -0.89 -1.23 0.00 0.00 174.94 173.92 3k4i s THR 164 N 1.17 4.82 -0.20 2.92 2.01 -1.26 -0.66 115.64 124.44 3k4i s THR 164 Ca 0.05 1.55 0.01 0.00 0.31 0.00 0.00 61.69 63.62 3k4i s THR 164 Cb -0.14 -4.08 0.02 0.00 0.01 0.00 0.00 72.50 68.31 3k4i s THR 164 CO 0.04 0.35 -0.17 -0.63 -0.69 0.00 0.00 174.62 173.52 3k4i s ILE 165 N 0.10 2.19 -0.06 1.82 1.09 0.12 -4.97 121.20 121.49 3k4i s ILE 165 Ca 0.38 -1.00 -0.06 0.00 -1.10 0.00 0.00 60.65 58.86 3k4i s ILE 165 Cb -0.20 -1.98 -0.04 0.00 -1.06 0.00 0.00 42.46 39.18 3k4i s ILE 165 CO 0.21 0.45 0.19 -1.10 -0.10 0.00 0.00 174.94 174.59 3k4i s GLN 166 N 1.28 3.49 0.04 2.79 -1.52 -1.26 -0.53 119.66 123.95 3k4i s GLN 166 Ca 0.03 -0.15 -0.37 0.00 -1.95 0.00 0.00 55.36 52.92 3k4i s GLN 166 Cb -0.14 -3.14 -0.16 0.00 -0.22 0.00 0.00 33.01 29.35 3k4i s GLN 166 CO -0.11 0.72 1.44 -2.30 -0.25 0.00 0.00 175.29 174.79 3k4i n PRO 167 N 1.49 1.27 0.00 2.91 -0.02 -1.26 -1.29 135.00 138.11 3k4i n PRO 167 Ca -0.15 0.46 0.00 0.00 -2.02 0.00 0.00 63.50 61.79 3k4i n PRO 167 Cb 0.54 -2.13 0.00 0.00 -0.02 0.00 0.00 33.50 31.89 3k4i n PRO 167 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3k4i n GLY 168 N 2.90 0.53 3.73 -1.23 0.00 -0.30 -4.94 105.19 105.88 3k4i n GLY 168 Ca 0.20 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.88 3k4i n GLY 168 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3k4i s ASP 169 N -1.91 4.41 0.86 1.61 1.01 -0.41 -4.56 116.67 117.67 3k4i s ASP 169 Ca 0.00 2.28 -0.08 0.00 0.71 0.00 0.00 52.55 55.46 3k4i s ASP 169 Cb 0.00 -2.58 0.16 0.00 1.01 0.00 0.00 42.92 41.51 3k4i s ASP 169 CO 0.00 -2.11 1.00 -0.11 0.21 0.00 0.00 175.17 174.15 3k4i n LEU 170 N -2.64 0.00 0.00 1.23 7.94 -0.26 -0.64 117.00 122.63 3k4i n LEU 170 Ca 0.13 -1.47 0.00 0.00 -1.11 0.00 0.00 56.01 53.56 3k4i n LEU 170 Cb 0.51 -0.72 0.00 0.00 0.53 0.00 0.00 43.42 43.74 3k4i n LEU 170 CO 0.47 -1.13 0.00 0.52 -1.11 0.00 0.00 177.39 176.15 3k4i n VAL 172 N -3.14 0.00 -4.14 1.96 0.31 -0.96 -0.84 118.33 111.52 3k4i n VAL 172 Ca 0.14 0.00 -0.15 0.00 -0.01 0.00 0.00 64.34 64.31 3k4i n VAL 172 Cb 0.49 0.00 -0.14 0.00 -0.91 0.00 0.00 33.84 33.28 3k4i n VAL 172 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3k4i n ASP 174 N 2.83 0.00 0.23 0.00 5.68 -0.27 -1.06 116.55 123.96 3k4i n ASP 174 Ca -0.14 -0.11 0.17 0.00 -0.50 0.00 0.00 54.79 54.21 3k4i n ASP 174 Cb 0.58 0.00 0.86 0.00 -1.14 0.00 0.00 41.12 41.42 3k4i n ASP 174 CO 0.00 0.00 0.00 1.23 -1.33 0.00 0.00 177.20 177.10 3k4i h GLY 175 N 0.00 0.00 0.72 6.12 0.00 -1.96 -1.12 103.07 106.83 3k4i h GLY 175 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3k4i h GLY 175 CO 0.00 0.00 -0.13 1.44 0.00 0.00 0.00 176.54 177.85 3k4i n SER 176 N -3.79 0.61 0.00 0.19 7.64 -1.26 -4.61 113.62 112.41 3k4i n SER 176 Ca 0.00 -0.67 0.00 0.00 1.01 0.00 0.00 58.87 59.21 3k4i n SER 176 Cb 0.26 -0.03 0.00 0.00 -1.01 0.00 0.00 64.21 63.43 3k4i n SER 176 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3k4i n GLY 177 N 1.28 0.35 3.27 0.23 0.00 -0.42 -4.98 105.19 104.91 3k4i n GLY 177 Ca 0.14 -2.19 -0.30 0.00 0.00 0.00 0.00 46.02 43.67 3k4i n GLY 177 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3k4i s VAL 179 N -0.46 1.84 -0.25 0.00 1.01 -0.02 -1.51 120.40 121.02 3k4i s VAL 179 Ca 0.06 -0.96 -0.08 0.00 0.00 0.00 0.00 61.98 61.00 3k4i s VAL 179 Cb -0.10 -1.56 -0.03 0.00 0.00 0.00 0.00 36.38 34.68 3k4i s VAL 179 CO 0.00 0.52 0.09 -0.69 0.00 0.00 0.00 175.10 175.02 3k4i s VAL 180 N -0.16 4.59 -0.26 2.92 1.01 0.01 -2.27 120.40 126.24 3k4i s VAL 180 Ca -0.02 -0.08 -0.05 0.00 0.00 0.00 0.00 61.98 61.83 3k4i s VAL 180 Cb -0.12 -3.14 -0.00 0.00 0.00 0.00 0.00 36.38 33.11 3k4i s VAL 180 CO 0.03 0.34 0.02 -0.69 0.00 0.00 0.00 175.10 174.79 3k4i s VAL 181 N 1.48 3.73 0.29 2.92 1.01 -0.02 -4.58 120.40 125.24 3k4i s VAL 181 Ca 0.06 -0.55 -0.30 0.00 0.00 0.00 0.00 61.98 61.19 3k4i s VAL 181 Cb -0.15 -2.81 -0.12 0.00 0.00 0.00 0.00 36.38 33.30 3k4i s VAL 181 CO 0.05 0.26 1.50 -2.65 0.00 0.00 0.00 175.10 174.26 3k4i n PRO 182 N 4.84 2.44 -0.27 2.72 -0.02 -1.26 -1.10 135.00 142.35 3k4i n PRO 182 Ca -0.16 0.87 0.04 0.00 -2.02 0.00 0.00 63.50 62.22 3k4i n PRO 182 Cb 0.50 -2.58 0.26 0.00 -0.02 0.00 0.00 33.50 31.65 3k4i n PRO 182 CO 0.00 0.00 0.00 -0.56 1.98 0.00 0.00 175.50 176.92 3k4i h GLN 183 N 4.18 0.95 0.00 -0.52 3.07 -1.92 -0.41 115.11 120.46 3k4i h GLN 183 Ca -0.47 -0.06 0.00 0.00 0.09 0.00 0.00 58.65 58.22 3k4i h GLN 183 Cb 1.25 -0.21 0.00 0.00 0.08 0.00 0.00 27.48 28.59 3k4i h GLN 183 CO 0.75 0.63 0.00 1.04 0.09 0.00 0.00 178.83 181.34 3k4i n GLN 184 N -4.47 0.18 -0.03 0.06 6.02 -1.26 -2.49 117.38 115.39 3k4i n GLN 184 Ca 0.12 0.48 0.05 0.00 -0.01 0.00 0.00 57.00 57.64 3k4i n GLN 184 Cb 0.17 -1.90 0.06 0.00 1.02 0.00 0.00 30.24 29.59 3k4i n GLN 184 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 3k4i n LEU 185 N -2.25 2.05 0.01 1.08 4.77 -0.21 -4.83 117.00 117.62 3k4i n LEU 185 Ca 0.01 -1.16 -0.11 0.00 -0.03 0.00 0.00 56.01 54.72 3k4i n LEU 185 Cb 0.18 -0.04 -0.06 0.00 -2.33 0.00 0.00 43.42 41.17 3k4i n LEU 185 CO 0.17 0.42 0.89 0.00 -1.33 0.00 0.00 177.39 177.54 3k4i h ALA 186 N 2.08 0.09 -0.54 -1.18 0.00 -1.11 0.34 119.26 118.93 3k4i h ALA 186 Ca 0.00 -0.02 0.04 0.00 0.00 0.00 0.00 54.91 54.93 3k4i h ALA 186 Cb 0.49 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.21 3k4i h ALA 186 CO 0.00 -0.41 0.29 0.00 0.00 0.00 0.00 179.25 179.14 3k4i h ALA 187 N 1.00 0.69 -0.55 0.00 0.00 -1.88 -0.97 119.26 117.56 3k4i h ALA 187 Ca 0.02 0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.85 3k4i h ALA 187 Cb 0.01 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 3k4i h ALA 187 CO -0.00 -0.03 -0.04 1.49 0.00 0.00 0.00 179.25 180.67 3k4i h GLU 188 N 0.57 0.99 -0.67 0.00 4.57 -1.76 -1.81 114.58 116.47 3k4i h GLU 188 Ca 0.23 -0.34 -0.08 0.00 -1.18 0.00 0.00 59.36 57.99 3k4i h GLU 188 Cb 0.10 -0.08 -0.03 0.00 -0.16 0.00 0.00 28.75 28.58 3k4i h GLU 188 CO -0.14 1.01 0.10 0.28 -1.18 0.00 0.00 179.01 179.09 3k4i h VAL 189 N 0.87 1.26 -0.48 0.32 2.07 -0.60 -1.35 116.25 118.34 3k4i h VAL 189 Ca 0.15 -1.05 -0.08 0.00 0.82 0.00 0.00 66.70 66.54 3k4i h VAL 189 Cb 0.59 0.63 -0.02 0.00 -1.52 0.00 0.00 31.29 30.97 3k4i h VAL 189 CO 0.04 0.40 0.00 0.58 0.02 0.00 0.00 177.57 178.61 3k4i h VAL 190 N 1.04 1.26 -0.43 2.57 2.07 -1.02 0.11 116.25 121.86 3k4i h VAL 190 Ca 0.20 -1.06 0.04 0.00 0.82 0.00 0.00 66.70 66.70 3k4i h VAL 190 Cb 0.45 0.99 -0.04 0.00 -1.52 0.00 0.00 31.29 31.17 3k4i h VAL 190 CO 0.01 0.37 0.21 0.25 0.02 0.00 0.00 177.57 178.43 3k4i h LEU 191 N 0.71 0.30 -0.73 2.57 5.85 -1.20 -1.44 115.31 121.36 3k4i h LEU 191 Ca 0.14 0.02 -0.10 0.00 0.84 0.00 0.00 57.88 58.79 3k4i h LEU 191 Cb 0.50 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.49 3k4i h LEU 191 CO 0.02 0.21 -0.07 0.03 -0.34 0.00 0.00 178.44 178.29 3k4i h ARG 192 N 0.42 0.89 -0.71 1.25 3.08 -0.87 -2.84 114.38 115.61 3k4i h ARG 192 Ca 0.18 -0.29 -0.06 0.00 0.07 0.00 0.00 59.98 59.88 3k4i h ARG 192 Cb 0.10 -0.08 -0.03 0.00 0.08 0.00 0.00 29.97 30.04 3k4i h ARG 192 CO -0.14 0.94 0.20 0.00 -1.07 0.00 0.00 179.97 179.90 3k4i h ALA 193 N 1.10 1.01 -0.86 0.04 0.00 -0.55 -0.62 119.26 119.38 3k4i h ALA 193 Ca 0.14 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 54.79 3k4i h ALA 193 Cb 0.59 -0.28 -0.04 0.00 0.00 0.00 0.00 17.79 18.06 3k4i h ALA 193 CO 0.04 0.66 0.44 -0.09 0.00 0.00 0.00 179.25 180.29 3k4i h ARG 194 N 1.07 1.22 -0.52 0.00 2.43 -1.10 -1.37 114.38 116.10 3k4i h ARG 194 Ca 0.23 -0.17 -0.08 0.00 -0.81 0.00 0.00 59.98 59.16 3k4i h ARG 194 Cb 0.33 -0.23 -0.02 0.00 -0.42 0.00 0.00 29.97 29.63 3k4i h ARG 194 CO -0.00 0.92 0.02 0.00 -1.51 0.00 0.00 179.97 179.40 3k4i h ALA 195 N 1.24 0.70 -0.52 2.80 0.00 -1.19 -1.39 119.26 120.89 3k4i h ALA 195 Ca 0.30 -0.28 0.04 0.00 0.00 0.00 0.00 54.91 54.97 3k4i h ALA 195 Cb 0.08 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.64 3k4i h ALA 195 CO -0.04 0.49 0.27 0.28 0.00 0.00 0.00 179.25 180.25 3k4i h VAL 196 N 0.77 0.97 -0.65 0.00 2.07 -0.83 -1.76 116.25 116.83 3k4i h VAL 196 Ca 0.15 -0.18 -0.03 0.00 0.82 0.00 0.00 66.70 67.46 3k4i h VAL 196 Cb 0.50 0.40 -0.03 0.00 -1.52 0.00 0.00 31.29 30.64 3k4i h VAL 196 CO 0.02 0.10 0.28 -0.33 0.02 0.00 0.00 177.57 177.65 3k4i h GLU 197 N 0.53 0.96 -0.04 1.57 5.08 -1.11 -1.36 114.58 120.20 3k4i h GLU 197 Ca 0.23 -0.16 -0.00 0.00 -1.00 0.00 0.00 59.36 58.42 3k4i h GLU 197 Cb 0.12 -0.16 -0.00 0.00 0.50 0.00 0.00 28.75 29.21 3k4i h GLU 197 CO -0.15 0.79 0.02 1.96 -1.00 0.00 0.00 179.01 180.63 3k4i h GLN 198 N 0.90 0.05 -0.64 2.33 4.20 -1.03 -0.09 115.11 120.84 3k4i h GLN 198 Ca 0.22 -0.01 0.07 0.00 0.06 0.00 0.00 58.65 58.99 3k4i h GLN 198 Cb 0.18 -0.01 -0.06 0.00 0.30 0.00 0.00 27.48 27.89 3k4i h GLN 198 CO -0.02 0.11 0.33 1.15 -0.67 0.00 0.00 178.83 179.73 3k4i h THR 199 N -0.02 0.93 -0.37 -0.54 2.02 -1.18 -2.63 112.91 111.13 3k4i h THR 199 Ca 0.01 -0.21 -0.12 0.00 0.77 0.00 0.00 66.41 66.87 3k4i h THR 199 Cb 0.07 0.26 -0.01 0.00 -1.74 0.00 0.00 68.15 66.73 3k4i h THR 199 CO -0.00 0.11 -0.24 -0.33 0.37 0.00 0.00 175.52 175.43 3k4i h GLU 200 N 0.61 0.73 -0.83 6.66 5.08 -1.03 -2.07 114.58 123.73 3k4i h GLU 200 Ca 0.29 -0.30 -0.02 0.00 -1.00 0.00 0.00 59.36 58.33 3k4i h GLU 200 Cb 0.22 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.40 3k4i h GLU 200 CO -0.20 0.90 0.44 -0.09 -1.00 0.00 0.00 179.01 179.06 3k4i h ARG 201 N 0.64 1.17 -0.35 2.33 2.43 -0.67 0.47 114.38 120.40 3k4i h ARG 201 Ca 0.09 -0.15 -0.13 0.00 -0.81 0.00 0.00 59.98 58.98 3k4i h ARG 201 Cb 0.74 -0.23 -0.01 0.00 -0.42 0.00 0.00 29.97 30.06 3k4i h ARG 201 CO 0.06 0.87 -0.32 0.00 -1.51 0.00 0.00 179.97 179.07 3k4i h ARG 202 N 1.17 0.77 -0.35 0.20 3.08 -1.22 0.61 114.38 118.65 3k4i h ARG 202 Ca 0.29 -0.36 -0.02 0.00 0.07 0.00 0.00 59.98 59.96 3k4i h ARG 202 Cb 0.05 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.08 3k4i h ARG 202 CO -0.04 0.98 0.15 0.82 -1.07 0.00 0.00 179.97 180.81 3k4i h ILE 203 N 0.65 1.18 -0.39 2.04 2.04 -0.74 0.05 117.51 122.34 3k4i h ILE 203 Ca 0.07 -0.54 0.01 0.00 1.00 0.00 0.00 64.86 65.40 3k4i h ILE 203 Cb 0.86 0.89 -0.02 0.00 -0.74 0.00 0.00 36.82 37.80 3k4i h ILE 203 CO 0.07 0.19 0.25 0.40 0.00 0.00 0.00 178.15 179.07 3k4i h ILE 204 N 0.42 1.09 -0.97 -0.67 2.04 -0.76 -0.52 117.51 118.13 3k4i h ILE 204 Ca 0.12 -0.17 0.06 0.00 1.00 0.00 0.00 64.86 65.87 3k4i h ILE 204 Cb 0.16 0.53 -0.07 0.00 -0.74 0.00 0.00 36.82 36.71 3k4i h ILE 204 CO -0.01 0.09 0.62 -0.33 0.00 0.00 0.00 178.15 178.53 3k4i h GLU 205 N 0.51 1.11 0.23 2.37 5.08 -0.57 -0.25 114.58 123.06 3k4i h GLU 205 Ca 0.14 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.43 3k4i h GLU 205 Cb -0.05 -0.25 0.00 0.00 0.50 0.00 0.00 28.75 28.96 3k4i h GLU 205 CO -0.04 0.73 -0.11 0.00 -1.00 0.00 0.00 179.01 178.59 3k4i h ALA 206 N 1.44 -0.31 0.00 3.43 0.00 -0.37 -2.39 119.26 121.06 3k4i h ALA 206 Ca 0.42 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 55.16 3k4i h ALA 206 Cb 0.16 0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.06 3k4i h ALA 206 CO -0.17 -0.55 -0.07 -0.84 0.00 0.00 0.00 179.25 177.61 3k4i h ILE 207 N -0.55 0.54 -0.00 0.00 3.07 -0.95 -0.91 117.51 118.71 3k4i h ILE 207 Ca -0.03 -0.33 0.00 0.00 1.55 0.00 0.00 64.86 66.05 3k4i h ILE 207 Cb 0.41 1.21 0.00 0.00 -0.27 0.00 0.00 36.82 38.17 3k4i h ILE 207 CO 0.05 0.07 -0.04 -1.20 -1.05 0.00 0.00 178.15 175.98 3k4i n SER 208 N -3.71 0.26 -0.73 2.16 7.64 -0.12 -2.59 113.62 116.54 3k4i n SER 208 Ca -0.02 -0.58 0.07 0.00 1.01 0.00 0.00 58.87 59.34 3k4i n SER 208 Cb 0.18 -0.12 0.20 0.00 -1.01 0.00 0.00 64.21 63.46 3k4i n SER 208 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 3k4i n SER 209 N -1.01 3.36 0.00 6.43 3.41 -0.42 -4.98 113.62 120.41 3k4i n SER 209 Ca 0.17 -2.55 0.00 0.00 -0.26 0.00 0.00 58.87 56.23 3k4i n SER 209 Cb 0.23 -0.39 0.00 0.00 -0.26 0.00 0.00 64.21 63.79 3k4i n SER 209 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3k4i n GLY 210 N -0.10 0.79 3.77 5.00 0.00 -1.07 -5.06 105.19 108.52 3k4i n GLY 210 Ca 0.16 -0.10 -0.38 0.00 0.00 0.00 0.00 46.02 45.71 3k4i n GLY 210 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3k4i s SER 211 N -2.09 6.31 0.77 1.61 0.15 -0.73 -5.00 113.70 114.72 3k4i s SER 211 Ca 0.00 2.33 -0.12 0.00 0.70 0.00 0.00 55.95 58.86 3k4i s SER 211 Cb 0.00 -2.61 0.06 0.00 -1.71 0.00 0.00 66.02 61.76 3k4i s SER 211 CO 0.00 -0.82 1.13 0.42 1.20 0.00 0.00 173.24 175.16 3k4i s THR 212 N -1.48 2.86 0.23 6.45 -4.23 -1.26 -4.38 115.64 113.82 3k4i s THR 212 Ca 0.61 0.33 -0.06 0.00 -1.18 0.00 0.00 61.69 61.39 3k4i s THR 212 Cb -0.30 -2.73 0.15 0.00 1.34 0.00 0.00 72.50 70.95 3k4i s THR 212 CO 0.37 -0.32 1.77 0.25 -0.54 0.00 0.00 174.62 176.15 3k4i h LEU 213 N -0.89 1.01 -0.19 4.79 5.85 -1.97 -2.13 115.31 121.78 3k4i h LEU 213 Ca -0.45 -0.18 0.05 0.00 0.84 0.00 0.00 57.88 58.14 3k4i h LEU 213 Cb 1.25 -0.26 -0.06 0.00 0.37 0.00 0.00 40.66 41.96 3k4i h LEU 213 CO 0.49 0.94 -0.25 -0.33 -0.34 0.00 0.00 178.44 178.96 3k4i h GLU 214 N 1.04 -0.27 -0.01 1.25 5.08 -2.00 -0.52 114.58 119.15 3k4i h GLU 214 Ca 0.23 0.02 0.02 0.00 -1.00 0.00 0.00 59.36 58.63 3k4i h GLU 214 Cb 0.29 0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.57 3k4i h GLU 214 CO -0.01 -0.18 -0.13 1.96 -1.00 0.00 0.00 179.01 179.66 3k4i h GLN 215 N -0.28 -0.20 -0.62 2.33 4.20 -1.89 -3.02 115.11 115.62 3k4i h GLN 215 Ca 0.12 0.01 0.03 0.00 0.06 0.00 0.00 58.65 58.88 3k4i h GLN 215 Cb 0.46 0.05 -0.04 0.00 0.30 0.00 0.00 27.48 28.25 3k4i h GLN 215 CO -0.35 -0.13 0.38 0.00 -0.67 0.00 0.00 178.83 178.05 3k4i h ALA 216 N 0.76 0.81 0.00 3.87 0.00 -1.04 -2.10 119.26 121.56 3k4i h ALA 216 Ca 0.05 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3k4i h ALA 216 Cb 0.27 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.89 3k4i h ALA 216 CO -0.14 0.11 0.00 0.54 0.00 0.00 0.00 179.25 179.76 3k4i n ARG 217 N -4.74 0.22 0.00 0.00 1.74 -0.23 -1.70 116.66 111.95 3k4i n ARG 217 Ca 0.06 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.14 3k4i n ARG 217 Cb 0.10 -1.11 0.00 0.00 -1.02 0.00 0.00 32.46 30.42 3k4i n ARG 217 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 3k4i n THR 219 N 0.39 0.00 -0.79 0.55 -2.24 -0.79 -5.12 114.28 106.28 3k4i n THR 219 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 3k4i n THR 219 Cb 0.06 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.29 3k4i n THR 219 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28