#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3k4w n LYS 2 N 0.00 -0.59 -1.74 3.23 5.02 -1.15 -4.91 118.16 118.01 3k4w n LYS 2 Ca 0.00 0.69 -0.40 0.00 -2.02 0.00 0.00 58.31 56.58 3k4w n LYS 2 Cb 0.00 -4.57 0.02 0.00 -0.02 0.00 0.00 35.03 30.46 3k4w n LYS 2 CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 3k4w n ILE 3 N -3.07 2.82 -4.00 -0.18 5.41 -1.13 -4.62 119.36 114.59 3k4w n ILE 3 Ca -0.09 -0.50 -0.31 0.00 1.00 0.00 0.00 62.75 62.86 3k4w n ILE 3 Cb 0.35 -1.75 -0.16 0.00 -0.71 0.00 0.00 39.64 37.37 3k4w n ILE 3 CO 0.00 0.00 0.00 -0.63 0.00 0.00 0.00 176.55 175.92 3k4w s ILE 4 N -1.20 1.73 -0.36 1.39 1.01 -0.33 -1.36 121.20 122.09 3k4w s ILE 4 Ca 0.62 -1.18 -0.24 0.00 0.00 0.00 0.00 60.65 59.85 3k4w s ILE 4 Cb -0.46 -1.85 0.01 0.00 0.01 0.00 0.00 42.46 40.16 3k4w s ILE 4 CO 0.57 0.08 0.82 -0.62 0.00 0.00 0.00 174.94 175.78 3k4w s ASP 5 N 1.33 6.60 0.00 3.58 2.15 -0.77 -4.63 116.67 124.94 3k4w s ASP 5 Ca -0.04 0.46 0.22 0.00 0.43 0.00 0.00 52.55 53.61 3k4w s ASP 5 Cb -0.17 -2.41 0.92 0.00 -0.30 0.00 0.00 42.92 40.95 3k4w s ASP 5 CO -0.07 -0.75 1.69 0.33 -0.17 0.00 0.00 175.17 176.20 3k4w n PHE 6 N 6.47 0.01 -3.53 -5.34 7.35 0.16 -1.55 117.46 121.03 3k4w n PHE 6 Ca 0.04 0.00 -0.29 0.00 -0.76 0.00 0.00 57.45 56.44 3k4w n PHE 6 Cb 0.48 -0.50 -0.14 0.00 0.35 0.00 0.00 39.48 39.67 3k4w n PHE 6 CO 0.00 0.00 0.00 0.50 -0.76 0.00 0.00 176.76 176.50 3k4w s ARG 7 N -3.00 0.30 -0.10 -4.13 3.52 -1.26 -4.59 118.95 109.69 3k4w s ARG 7 Ca 0.10 -0.76 -0.02 0.00 -0.13 0.00 0.00 55.73 54.92 3k4w s ARG 7 Cb 0.14 -1.23 0.04 0.00 -1.56 0.00 0.00 34.95 32.34 3k4w s ARG 7 CO 0.39 -1.07 0.03 -1.17 -0.81 0.00 0.00 175.30 172.68 3k4w s LEU 8 N 1.80 0.56 -0.45 -0.88 0.20 -0.19 -1.28 118.68 118.45 3k4w s LEU 8 Ca 0.11 -0.26 -0.08 0.00 0.69 0.00 0.00 54.13 54.59 3k4w s LEU 8 Cb -0.18 -0.37 0.10 0.00 -0.43 0.00 0.00 46.19 45.32 3k4w s LEU 8 CO -0.26 -0.25 0.30 -0.13 -0.29 0.00 0.00 176.35 175.71 3k4w s ARG 9 N 2.02 2.46 0.57 1.98 3.00 0.51 -4.01 118.95 125.49 3k4w s ARG 9 Ca 0.03 -1.67 -0.17 0.00 0.00 0.00 0.00 55.73 53.93 3k4w s ARG 9 Cb -0.14 -3.83 -0.04 0.00 0.00 0.00 0.00 34.95 30.93 3k4w s ARG 9 CO -0.06 -1.10 1.06 -1.25 0.00 0.00 0.00 175.30 173.95 3k4w s PRO 10 N 1.36 3.38 -1.41 3.54 0.04 -1.26 -4.15 135.00 136.48 3k4w s PRO 10 Ca 0.05 1.28 -0.10 0.00 0.04 0.00 0.00 61.00 62.27 3k4w s PRO 10 Cb -0.25 -2.04 0.07 0.00 0.04 0.00 0.00 34.50 32.32 3k4w s PRO 10 CO -0.00 -0.77 2.31 -0.35 0.04 0.00 0.00 177.00 178.23 3k4w n PRO 11 N -1.80 3.63 -4.45 0.56 -0.04 -1.26 -4.67 135.00 126.97 3k4w n PRO 11 Ca 0.09 -2.97 -0.22 0.00 -0.04 0.00 0.00 63.50 60.36 3k4w n PRO 11 Cb 0.53 -2.94 -0.16 0.00 -0.04 0.00 0.00 33.50 30.89 3k4w n PRO 11 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3k4w s ALA 12 N 1.23 0.98 0.00 0.55 0.00 -1.26 -4.06 121.76 119.21 3k4w s ALA 12 Ca 0.51 -0.35 0.00 0.00 0.00 0.00 0.00 51.96 52.12 3k4w s ALA 12 Cb 0.14 -0.39 0.00 0.00 0.00 0.00 0.00 23.12 22.87 3k4w s ALA 12 CO -0.06 0.14 0.00 0.00 0.00 0.00 0.00 175.76 175.84 3k4w n MET 13 N 3.44 0.00 -0.15 0.00 0.00 -1.26 -1.81 117.12 117.33 3k4w n MET 13 Ca -0.20 0.00 0.11 0.00 0.00 0.00 0.00 57.70 57.61 3k4w n MET 13 Cb 0.53 0.00 0.44 0.00 0.00 0.00 0.00 33.22 34.19 3k4w n MET 13 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 175.97 176.75 3k4w h GLY 14 N 0.00 0.81 1.95 3.17 0.00 -1.96 -1.89 103.07 105.15 3k4w h GLY 14 Ca 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 47.33 47.10 3k4w h GLY 14 CO 0.00 0.13 0.02 0.74 0.00 0.00 0.00 176.54 177.43 3k4w h PHE 15 N 0.56 0.00 0.00 5.60 0.04 -1.63 -2.18 116.94 119.34 3k4w h PHE 15 Ca 0.33 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.10 3k4w h PHE 15 Cb 0.52 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.67 3k4w h PHE 15 CO -0.00 0.00 0.00 1.28 -0.60 0.00 0.00 178.31 178.99 3k4w n LEU 16 N -3.57 0.00 -0.08 1.54 4.77 -0.71 -1.85 117.00 117.10 3k4w n LEU 16 Ca -0.03 0.34 0.12 0.00 -0.03 0.00 0.00 56.01 56.41 3k4w n LEU 16 Cb 0.10 -0.34 0.17 0.00 -2.33 0.00 0.00 43.42 41.02 3k4w n LEU 16 CO 0.25 -0.16 0.36 0.59 -1.33 0.00 0.00 177.39 177.10 3k4w n ASN 17 N -1.34 0.83 -4.78 -1.43 3.02 -0.82 -4.36 115.26 106.38 3k4w n ASN 17 Ca 0.07 -0.64 -0.36 0.00 -0.03 0.00 0.00 54.58 53.61 3k4w n ASN 17 Cb 0.14 0.42 -0.03 0.00 -0.61 0.00 0.00 39.78 39.70 3k4w n ASN 17 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3k4w s ALA 18 N -2.87 2.96 0.37 5.41 0.00 -0.77 -3.75 121.76 123.12 3k4w s ALA 18 Ca 0.13 0.75 0.19 0.00 0.00 0.00 0.00 51.96 53.04 3k4w s ALA 18 Cb 0.18 -3.31 1.19 0.00 0.00 0.00 0.00 23.12 21.18 3k4w s ALA 18 CO 0.70 -0.41 1.66 -0.09 0.00 0.00 0.00 175.76 177.61 3k4w h ARG 19 N 2.01 0.24 -0.20 0.00 2.43 -1.90 0.19 114.38 117.15 3k4w h ARG 19 Ca -0.49 -0.01 0.05 0.00 -0.81 0.00 0.00 59.98 58.72 3k4w h ARG 19 Cb 1.23 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 30.72 3k4w h ARG 19 CO 0.60 0.16 0.14 -0.84 -1.51 0.00 0.00 179.97 178.52 3k4w h ILE 20 N 0.25 0.91 0.00 1.20 3.07 -1.91 -1.07 117.51 119.97 3k4w h ILE 20 Ca 0.75 -0.01 -0.36 0.00 1.55 0.00 0.00 64.86 66.80 3k4w h ILE 20 Cb 1.91 0.89 -0.07 0.00 -0.27 0.00 0.00 36.82 39.29 3k4w h ILE 20 CO -0.55 0.00 -2.35 -1.22 -1.05 0.00 0.00 178.15 172.99 3k4w n TYR 21 N -4.48 0.00 0.21 0.16 4.01 -0.09 -4.52 117.16 112.45 3k4w n TYR 21 Ca 0.02 0.00 0.11 0.00 -0.16 0.00 0.00 57.90 57.86 3k4w n TYR 21 Cb 0.26 -0.97 0.18 0.00 -0.31 0.00 0.00 39.34 38.51 3k4w n TYR 21 CO 0.00 0.00 0.00 1.79 -0.46 0.00 0.00 176.86 178.19 3k4w h THR 22 N 0.00 0.17 -2.25 -0.72 1.35 -1.09 -3.36 112.91 107.00 3k4w h THR 22 Ca -0.53 -1.19 -0.59 0.00 -0.55 0.00 0.00 66.41 63.54 3k4w h THR 22 Cb 2.20 2.04 -0.42 0.00 -1.73 0.00 0.00 68.15 70.24 3k4w h THR 22 CO 0.03 0.09 -0.63 0.54 -0.25 0.00 0.00 175.52 175.30 3k4w n ARG 23 N -3.13 2.95 -0.12 4.72 5.12 -0.41 -4.92 116.66 120.87 3k4w n ARG 23 Ca 0.03 -4.77 0.15 0.00 -1.93 0.00 0.00 57.85 51.33 3k4w n ARG 23 Cb 0.55 -2.23 0.52 0.00 -1.16 0.00 0.00 32.46 30.14 3k4w n ARG 23 CO 0.00 0.00 0.00 -1.00 -1.93 0.00 0.00 177.63 174.70 3k4w h PRO 24 N 3.41 0.36 -0.41 5.56 0.13 -1.79 -0.51 132.00 138.74 3k4w h PRO 24 Ca 0.15 -0.02 0.08 0.00 -0.87 0.00 0.00 66.00 65.34 3k4w h PRO 24 Cb 0.57 -0.08 -0.08 0.00 0.13 0.00 0.00 31.00 31.54 3k4w h PRO 24 CO 0.82 0.24 -0.08 0.38 -0.23 0.00 0.00 178.00 179.13 3k4w h ASP 25 N 0.37 -0.34 -0.07 1.44 2.03 -1.96 0.38 116.42 118.28 3k4w h ASP 25 Ca 0.33 0.12 -0.05 0.00 -0.73 0.00 0.00 57.03 56.70 3k4w h ASP 25 Cb 0.76 0.24 0.00 0.00 -0.83 0.00 0.00 39.33 39.50 3k4w h ASP 25 CO -0.09 -0.12 -0.14 0.40 -1.03 0.00 0.00 179.24 178.26 3k4w h ILE 26 N 0.02 1.41 -0.53 4.15 2.04 -1.52 -2.51 117.51 120.57 3k4w h ILE 26 Ca 0.20 -1.45 0.08 0.00 1.00 0.00 0.00 64.86 64.69 3k4w h ILE 26 Cb 0.30 2.19 -0.06 0.00 -0.74 0.00 0.00 36.82 38.51 3k4w h ILE 26 CO -0.41 0.41 0.18 -0.09 0.00 0.00 0.00 178.15 178.24 3k4w h ARG 27 N -0.26 0.35 -0.36 2.37 2.43 -1.13 -2.79 114.38 114.99 3k4w h ARG 27 Ca 0.00 -0.02 -0.09 0.00 -0.81 0.00 0.00 59.98 59.06 3k4w h ARG 27 Cb 0.73 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 30.18 3k4w h ARG 27 CO 0.03 0.23 -0.16 -0.91 -1.51 0.00 0.00 179.97 177.65 3k4w h ASN 28 N 0.36 0.64 -0.58 -3.80 2.35 -0.22 -1.68 115.58 112.65 3k4w h ASN 28 Ca 0.26 -0.20 -0.02 0.00 -0.55 0.00 0.00 56.30 55.79 3k4w h ASN 28 Cb 0.30 -0.17 -0.03 0.00 0.05 0.00 0.00 38.32 38.47 3k4w h ASN 28 CO -0.27 0.82 0.28 0.03 -1.65 0.00 0.00 177.43 176.63 3k4w h ARG 29 N 0.58 0.86 0.14 0.81 3.08 -1.18 -1.61 114.38 117.07 3k4w h ARG 29 Ca 0.10 -0.12 -0.01 0.00 0.07 0.00 0.00 59.98 60.02 3k4w h ARG 29 Cb 0.60 -0.16 0.00 0.00 0.08 0.00 0.00 29.97 30.49 3k4w h ARG 29 CO 0.04 0.68 -0.07 0.35 -1.07 0.00 0.00 179.97 179.90 3k4w h PHE 30 N 0.86 -0.18 -0.60 3.04 -0.00 -1.25 0.21 116.94 119.03 3k4w h PHE 30 Ca 0.21 -0.00 0.11 0.00 -0.00 0.00 0.00 57.97 58.29 3k4w h PHE 30 Cb 0.11 0.06 -0.12 0.00 -0.00 0.00 0.00 35.95 36.01 3k4w h PHE 30 CO 0.01 0.26 -0.28 1.15 -0.00 0.00 0.00 178.31 179.45 3k4w h THR 31 N -0.70 0.22 -0.57 4.41 2.02 -1.29 -1.56 112.91 115.44 3k4w h THR 31 Ca -0.02 0.00 -0.11 0.00 0.77 0.00 0.00 66.41 67.05 3k4w h THR 31 Cb 0.51 0.22 -0.02 0.00 -1.74 0.00 0.00 68.15 67.13 3k4w h THR 31 CO 0.03 0.00 -0.06 0.03 0.37 0.00 0.00 175.52 175.90 3k4w h ARG 32 N -0.12 1.05 -0.98 6.66 3.08 -1.21 -0.28 114.38 122.58 3k4w h ARG 32 Ca 0.26 -0.36 0.05 0.00 0.07 0.00 0.00 59.98 60.00 3k4w h ARG 32 Cb 0.53 -0.08 -0.06 0.00 0.08 0.00 0.00 29.97 30.44 3k4w h ARG 32 CO -0.67 1.06 0.64 0.37 -1.07 0.00 0.00 179.97 180.29 3k4w h GLN 33 N 0.93 1.15 0.00 0.04 4.15 -0.21 0.09 115.11 121.26 3k4w h GLN 33 Ca 0.15 -0.07 0.00 0.00 0.77 0.00 0.00 58.65 59.51 3k4w h GLN 33 Cb 0.62 -0.26 0.00 0.00 0.21 0.00 0.00 27.48 28.05 3k4w h GLN 33 CO 0.04 0.76 0.00 -0.11 -1.93 0.00 0.00 178.83 177.59 3k4w n LEU 34 N -4.47 0.26 0.00 -2.39 7.94 -0.66 -4.88 117.00 112.81 3k4w n LEU 34 Ca 0.14 0.55 0.00 0.00 -1.11 0.00 0.00 56.01 55.59 3k4w n LEU 34 Cb 0.14 -0.50 0.00 0.00 0.53 0.00 0.00 43.42 43.60 3k4w n LEU 34 CO 0.34 -0.26 0.00 0.61 -1.11 0.00 0.00 177.39 176.96 3k4w n GLY 35 N 0.48 1.08 3.73 -3.96 0.00 0.02 -4.96 105.19 101.58 3k4w n GLY 35 Ca 0.04 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.77 3k4w n GLY 35 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3k4w s PHE 36 N -2.00 3.05 0.24 1.61 0.08 -0.16 -4.98 117.98 115.82 3k4w s PHE 36 Ca 0.00 -0.02 -0.26 0.00 0.12 0.00 0.00 56.93 56.77 3k4w s PHE 36 Cb 0.00 -1.53 -0.09 0.00 -0.57 0.00 0.00 43.02 40.84 3k4w s PHE 36 CO 0.00 0.50 0.87 -1.21 -0.10 0.00 0.00 175.22 175.29 3k4w s GLU 37 N -2.61 4.62 0.66 0.44 0.41 -1.26 -3.06 118.70 117.90 3k4w s GLU 37 Ca 0.28 1.28 -0.17 0.00 -0.41 0.00 0.00 54.97 55.94 3k4w s GLU 37 Cb -0.11 -3.08 -0.01 0.00 -1.78 0.00 0.00 34.13 29.15 3k4w s GLU 37 CO 0.20 0.45 1.16 -2.30 -0.49 0.00 0.00 175.26 174.27 3k4w n PRO 38 N 1.14 0.90 -2.59 0.39 -0.02 -1.26 -4.55 135.00 129.01 3k4w n PRO 38 Ca -0.02 0.36 -0.42 0.00 -2.02 0.00 0.00 63.50 61.40 3k4w n PRO 38 Cb 0.49 -2.39 -0.03 0.00 -0.02 0.00 0.00 33.50 31.55 3k4w n PRO 38 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3k4w s ALA 39 N -1.53 3.33 0.38 3.55 0.00 -1.26 -4.94 121.76 121.28 3k4w s ALA 39 Ca 0.79 0.60 0.11 0.00 0.00 0.00 0.00 51.96 53.46 3k4w s ALA 39 Cb -0.38 -3.42 0.91 0.00 0.00 0.00 0.00 23.12 20.23 3k4w s ALA 39 CO 0.44 -0.45 1.90 -1.35 0.00 0.00 0.00 175.76 176.29 3k4w h PRO 40 N 6.98 0.57 0.00 0.00 0.11 -1.99 -0.42 132.00 137.25 3k4w h PRO 40 Ca -0.38 -0.03 -0.06 0.00 0.11 0.00 0.00 66.00 65.63 3k4w h PRO 40 Cb 1.19 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 32.17 3k4w h PRO 40 CO 0.81 0.38 -0.30 0.66 -0.21 0.00 0.00 178.00 179.34 3k4w h SER 41 N 0.59 0.00 0.33 -2.05 4.64 -1.88 -1.86 113.55 113.32 3k4w h SER 41 Ca 0.40 0.00 -0.29 0.00 -0.47 0.00 0.00 61.79 61.44 3k4w h SER 41 Cb 0.72 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.83 3k4w h SER 41 CO -0.16 0.30 -1.23 0.00 -0.87 0.00 0.00 176.83 174.87 3k4w h ALA 42 N 1.70 0.06 -0.06 5.18 0.00 -1.43 -1.63 119.26 123.08 3k4w h ALA 42 Ca -0.00 -0.81 -0.16 0.00 0.00 0.00 0.00 54.91 53.94 3k4w h ALA 42 Cb 0.56 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 3k4w h ALA 42 CO 0.04 0.79 -0.66 0.93 0.00 0.00 0.00 179.25 180.35 3k4w h GLU 43 N 0.19 0.24 -0.02 0.00 4.39 -1.08 -2.75 114.58 115.55 3k4w h GLU 43 Ca -0.17 -0.18 0.00 0.00 0.34 0.00 0.00 59.36 59.35 3k4w h GLU 43 Cb 1.92 0.03 0.00 0.00 -0.10 0.00 0.00 28.75 30.60 3k4w h GLU 43 CO 0.22 0.82 -0.09 0.39 -1.16 0.00 0.00 179.01 179.18 3k4w n GLU 44 N -3.83 1.73 -4.02 2.33 1.02 -0.72 -5.00 120.64 112.15 3k4w n GLU 44 Ca -0.03 -1.24 -0.31 0.00 -0.02 0.00 0.00 57.16 55.56 3k4w n GLU 44 Cb 0.66 -1.47 -0.00 0.00 -0.02 0.00 0.00 31.44 30.60 3k4w n GLU 44 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 3k4w n LYS 45 N 0.45 -4.18 -3.77 3.49 5.02 -0.89 -4.96 118.16 113.33 3k4w n LYS 45 Ca 0.15 0.48 -0.37 0.00 -2.02 0.00 0.00 58.31 56.55 3k4w n LYS 45 Cb 0.45 -5.13 -0.13 0.00 -0.02 0.00 0.00 35.03 30.21 3k4w n LYS 45 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 3k4w s SER 46 N -3.60 5.12 0.42 4.39 0.15 -0.67 -4.91 113.70 114.60 3k4w s SER 46 Ca 0.51 -0.80 0.17 0.00 0.70 0.00 0.00 55.95 56.52 3k4w s SER 46 Cb -0.27 -1.87 0.94 0.00 -1.71 0.00 0.00 66.02 63.12 3k4w s SER 46 CO 0.88 -0.21 1.92 0.25 1.20 0.00 0.00 173.24 177.27 3k4w h LEU 47 N 8.22 0.00 -0.27 3.45 5.85 -1.85 -2.76 115.31 127.94 3k4w h LEU 47 Ca -0.30 0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.38 3k4w h LEU 47 Cb 1.12 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.14 3k4w h LEU 47 CO 0.60 0.27 0.02 -0.33 -0.34 0.00 0.00 178.44 178.66 3k4w h GLU 48 N 0.00 0.46 -0.10 1.25 3.07 -1.94 -1.61 114.58 115.72 3k4w h GLU 48 Ca -0.00 -0.14 -0.06 0.00 -0.50 0.00 0.00 59.36 58.66 3k4w h GLU 48 Cb 0.52 -0.05 -0.01 0.00 -0.84 0.00 0.00 28.75 28.37 3k4w h GLU 48 CO 0.03 0.60 -0.21 -0.07 -1.40 0.00 0.00 179.01 177.97 3k4w h LEU 49 N 0.26 0.17 -0.18 1.33 3.38 -1.91 -2.54 115.31 115.82 3k4w h LEU 49 Ca 0.08 -0.04 -0.03 0.00 0.09 0.00 0.00 57.88 57.98 3k4w h LEU 49 Cb 0.38 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 3k4w h LEU 49 CO 0.01 0.39 0.00 -0.03 0.09 0.00 0.00 178.44 178.91 3k4w h MET 50 N 0.16 0.31 -0.48 1.13 4.05 -1.19 -0.74 114.93 118.16 3k4w h MET 50 Ca 0.03 -0.10 0.00 0.00 -0.28 0.00 0.00 59.70 59.36 3k4w h MET 50 Cb 0.47 -0.03 -0.02 0.00 -0.80 0.00 0.00 31.60 31.22 3k4w h MET 50 CO 0.03 0.51 0.32 0.74 0.23 0.00 0.00 176.91 178.75 3k4w h PHE 51 N 0.07 0.61 -0.34 1.39 0.04 -1.17 0.52 116.94 118.06 3k4w h PHE 51 Ca 0.05 0.01 -0.01 0.00 2.80 0.00 0.00 57.97 60.82 3k4w h PHE 51 Cb 0.37 -0.21 -0.02 0.00 2.20 0.00 0.00 35.95 38.30 3k4w h PHE 51 CO 0.03 0.39 0.17 0.93 -0.60 0.00 0.00 178.31 179.23 3k4w h GLU 52 N 0.66 0.48 0.00 1.51 5.08 -1.22 -2.33 114.58 118.76 3k4w h GLU 52 Ca 0.18 -0.07 -0.13 0.00 -1.00 0.00 0.00 59.36 58.34 3k4w h GLU 52 Cb -0.07 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.07 3k4w h GLU 52 CO -0.04 0.43 -0.64 0.93 -1.00 0.00 0.00 179.01 178.69 3k4w h GLU 53 N 0.41 0.00 0.49 2.33 5.08 -0.27 -1.77 114.58 120.85 3k4w h GLU 53 Ca 0.12 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.45 3k4w h GLU 53 Cb 0.10 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.36 3k4w h GLU 53 CO -0.02 0.64 -0.24 0.52 -1.00 0.00 0.00 179.01 178.92 3k4w h MET 54 N 0.00 -0.64 -0.42 2.33 2.86 -0.86 -0.78 114.93 117.41 3k4w h MET 54 Ca -0.01 0.04 -0.02 0.00 -2.06 0.00 0.00 59.70 57.66 3k4w h MET 54 Cb 1.16 0.15 -0.02 0.00 0.06 0.00 0.00 31.60 32.94 3k4w h MET 54 CO 0.08 -0.42 0.19 0.00 1.06 0.00 0.00 176.91 177.82 3k4w h ALA 55 N -0.15 1.55 -0.12 6.32 0.00 -1.40 0.29 119.26 125.74 3k4w h ALA 55 Ca -0.07 -0.10 -0.16 0.00 0.00 0.00 0.00 54.91 54.58 3k4w h ALA 55 Cb 0.51 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 3k4w h ALA 55 CO 0.11 0.36 -0.61 0.00 0.00 0.00 0.00 179.25 179.12 3k4w h ALA 56 N 1.62 0.73 0.00 0.00 0.00 -1.01 -2.95 119.26 117.65 3k4w h ALA 56 Ca 0.15 -0.54 0.00 0.00 0.00 0.00 0.00 54.91 54.52 3k4w h ALA 56 Cb 0.09 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.80 3k4w h ALA 56 CO -0.02 0.71 -0.30 0.00 0.00 0.00 0.00 179.25 179.64 3k4w n ALA 57 N -2.50 2.76 -0.37 0.00 0.00 -0.33 -4.94 120.51 115.14 3k4w n ALA 57 Ca -0.03 -0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.23 3k4w n ALA 57 Cb 0.63 -1.30 0.00 0.00 0.00 0.00 0.00 19.45 18.78 3k4w n ALA 57 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3k4w n GLY 58 N 1.40 0.81 3.67 0.00 0.00 -0.61 -4.91 105.19 105.55 3k4w n GLY 58 Ca 0.05 -0.04 -0.41 0.00 0.00 0.00 0.00 46.02 45.62 3k4w n GLY 58 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3k4w s ILE 59 N -2.00 4.89 -0.13 -0.61 1.01 -0.01 -2.82 121.20 121.53 3k4w s ILE 59 Ca 0.00 1.62 0.19 0.00 0.00 0.00 0.00 60.65 62.46 3k4w s ILE 59 Cb 0.00 -4.13 -0.23 0.00 0.01 0.00 0.00 42.46 38.11 3k4w s ILE 59 CO 0.00 0.04 0.45 -0.62 0.00 0.00 0.00 174.94 174.81 3k4w n GLU 60 N 5.16 0.66 -4.11 2.79 1.02 -0.46 -4.05 120.64 121.64 3k4w n GLU 60 Ca 0.04 0.03 -0.09 0.00 -0.02 0.00 0.00 57.16 57.12 3k4w n GLU 60 Cb 0.49 -1.63 -0.10 0.00 -0.02 0.00 0.00 31.44 30.19 3k4w n GLU 60 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 3k4w s GLN 61 N -2.91 0.92 0.02 3.49 -0.21 -1.17 -4.56 119.66 115.24 3k4w s GLN 61 Ca -0.07 -1.37 0.01 0.00 0.02 0.00 0.00 55.36 53.95 3k4w s GLN 61 Cb 0.09 0.26 -0.02 0.00 1.00 0.00 0.00 33.01 34.34 3k4w s GLN 61 CO 0.84 -0.27 -0.05 0.20 -2.12 0.00 0.00 175.29 173.90 3k4w s GLY 62 N -3.02 0.30 -0.26 3.09 0.00 0.33 -1.84 107.32 105.92 3k4w s GLY 62 Ca 0.21 -0.49 -0.09 0.00 0.00 0.00 0.00 44.72 44.35 3k4w s GLY 62 CO 0.00 -0.52 0.13 0.14 0.00 0.00 0.00 173.10 172.85 3k4w s VAL 63 N -0.93 4.83 -0.21 1.40 1.01 -0.59 -1.38 120.40 124.53 3k4w s VAL 63 Ca -0.08 0.00 -0.06 0.00 0.00 0.00 0.00 61.98 61.85 3k4w s VAL 63 Cb -0.07 -3.28 -0.03 0.00 0.00 0.00 0.00 36.38 33.01 3k4w s VAL 63 CO -0.00 0.30 0.02 0.00 0.00 0.00 0.00 175.10 175.41 3k4w s VAL 65 N 1.06 2.26 0.00 0.00 1.01 -1.26 -1.99 120.40 121.47 3k4w s VAL 65 Ca 0.03 -0.93 0.00 0.00 0.00 0.00 0.00 61.98 61.07 3k4w s VAL 65 Cb -0.14 -1.89 0.00 0.00 0.00 0.00 0.00 36.38 34.34 3k4w s VAL 65 CO 0.02 0.55 0.00 0.61 0.00 0.00 0.00 175.10 176.28 3k4w n GLY 66 N 3.74 1.73 2.52 4.51 0.00 -1.26 -4.91 105.19 111.52 3k4w n GLY 66 Ca -0.19 -2.02 -0.29 0.00 0.00 0.00 0.00 46.02 43.52 3k4w n GLY 66 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3k4w s ARG 67 N 2.45 0.46 -0.96 1.61 0.52 -0.62 -4.91 118.95 117.50 3k4w s ARG 67 Ca 0.00 -1.06 -0.08 0.00 -0.52 0.00 0.00 55.73 54.07 3k4w s ARG 67 Cb 0.00 -1.34 -0.13 0.00 0.52 0.00 0.00 34.95 34.00 3k4w s ARG 67 CO 0.00 -1.13 3.16 -1.71 0.02 0.00 0.00 175.30 175.64 3k4w n ASN 68 N 4.50 7.34 0.11 0.23 4.05 -1.24 -1.11 115.26 129.13 3k4w n ASN 68 Ca 0.05 -2.61 0.12 0.00 0.45 0.00 0.00 54.58 52.58 3k4w n ASN 68 Cb 0.39 -1.48 0.01 0.00 1.23 0.00 0.00 39.78 39.94 3k4w n ASN 68 CO 0.00 0.00 0.00 0.77 -3.05 0.00 0.00 177.26 174.98 3k4w h SER 69 N 4.15 0.00 -3.45 1.20 4.64 -1.91 -3.41 113.55 114.77 3k4w h SER 69 Ca 0.59 -0.00 -0.34 0.00 -0.47 0.00 0.00 61.79 61.57 3k4w h SER 69 Cb 0.75 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.83 3k4w h SER 69 CO 1.16 0.00 -0.44 -0.24 -0.87 0.00 0.00 176.83 176.44 3k4w n SER 70 N -2.70 -5.01 -3.67 4.97 2.88 -1.26 -4.95 113.62 103.88 3k4w n SER 70 Ca 0.00 0.06 -0.17 0.00 -1.33 0.00 0.00 58.87 57.44 3k4w n SER 70 Cb 0.55 -4.20 -0.09 0.00 -0.75 0.00 0.00 64.21 59.72 3k4w n SER 70 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 3k4w s VAL 71 N -2.86 0.00 0.19 2.46 0.11 -1.26 -5.07 120.40 113.97 3k4w s VAL 71 Ca 0.02 -2.00 -0.31 0.00 -2.93 0.00 0.00 61.98 56.76 3k4w s VAL 71 Cb -0.01 -2.50 -0.16 0.00 -1.53 0.00 0.00 36.38 32.18 3k4w s VAL 71 CO 0.02 0.00 0.93 -0.11 -3.33 0.00 0.00 175.10 172.61 3k4w n LEU 72 N -0.49 0.65 0.00 2.54 0.00 -1.26 -2.04 117.00 116.39 3k4w n LEU 72 Ca 0.05 1.15 0.00 0.00 0.00 0.00 0.00 56.01 57.22 3k4w n LEU 72 Cb 0.64 -1.13 0.00 0.00 0.00 0.00 0.00 43.42 42.93 3k4w n LEU 72 CO 0.32 -1.87 0.00 0.61 0.00 0.00 0.00 177.39 176.45 3k4w n GLY 73 N 1.75 0.70 3.86 -3.96 0.00 -1.25 -4.99 105.19 101.30 3k4w n GLY 73 Ca 0.15 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.86 3k4w n GLY 73 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3k4w s SER 74 N -2.26 6.47 -0.24 1.61 1.04 -0.87 -4.24 113.70 115.22 3k4w s SER 74 Ca 0.00 1.34 -0.00 0.00 0.48 0.00 0.00 55.95 57.77 3k4w s SER 74 Cb 0.00 -2.42 0.07 0.00 0.10 0.00 0.00 66.02 63.77 3k4w s SER 74 CO 0.00 -0.59 -0.01 0.54 0.98 0.00 0.00 173.24 174.15 3k4w s VAL 75 N -2.68 1.28 0.88 5.02 0.11 -0.27 -4.57 120.40 120.16 3k4w s VAL 75 Ca 0.55 -1.15 -0.11 0.00 -2.93 0.00 0.00 61.98 58.34 3k4w s VAL 75 Cb -0.10 -1.66 0.12 0.00 -1.53 0.00 0.00 36.38 33.21 3k4w s VAL 75 CO 0.38 -0.21 1.09 -0.94 -3.33 0.00 0.00 175.10 172.09 3k4w s SER 76 N 1.50 3.64 0.18 3.54 1.04 -1.26 -1.59 113.70 120.74 3k4w s SER 76 Ca -0.02 1.49 -0.13 0.00 0.48 0.00 0.00 55.95 57.77 3k4w s SER 76 Cb -0.18 -2.18 0.09 0.00 0.10 0.00 0.00 66.02 63.85 3k4w s SER 76 CO -0.09 -2.54 1.83 0.78 0.98 0.00 0.00 173.24 174.21 3k4w h ASN 77 N -1.48 0.58 -0.55 7.02 2.35 -1.92 -0.06 115.58 121.52 3k4w h ASN 77 Ca -0.49 -0.01 0.06 0.00 -0.55 0.00 0.00 56.30 55.32 3k4w h ASN 77 Cb 1.28 -0.13 -0.06 0.00 0.05 0.00 0.00 38.32 39.46 3k4w h ASN 77 CO 0.55 0.41 0.24 0.00 -1.65 0.00 0.00 177.43 176.99 3k4w h ALA 78 N 1.22 0.71 -0.23 -0.83 0.00 -1.97 0.12 119.26 118.28 3k4w h ALA 78 Ca 0.21 0.05 0.01 0.00 0.00 0.00 0.00 54.91 55.17 3k4w h ALA 78 Cb -0.03 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 3k4w h ALA 78 CO -0.07 -0.13 0.14 -0.44 0.00 0.00 0.00 179.25 178.75 3k4w h ASP 79 N 0.46 0.23 -0.32 0.00 3.32 -1.75 -0.41 116.42 117.95 3k4w h ASP 79 Ca 0.26 0.00 0.03 0.00 0.02 0.00 0.00 57.03 57.34 3k4w h ASP 79 Cb 0.23 -0.05 -0.03 0.00 0.22 0.00 0.00 39.33 39.71 3k4w h ASP 79 CO -0.22 0.17 0.15 0.58 -1.72 0.00 0.00 179.24 178.20 3k4w h VAL 80 N 0.29 0.97 -0.14 -1.35 2.07 -0.64 -2.43 116.25 115.02 3k4w h VAL 80 Ca 0.09 -0.11 -0.03 0.00 0.82 0.00 0.00 66.70 67.48 3k4w h VAL 80 Cb -0.01 0.63 -0.01 0.00 -1.52 0.00 0.00 31.29 30.38 3k4w h VAL 80 CO -0.04 0.06 -0.04 0.00 0.02 0.00 0.00 177.57 177.57 3k4w h ALA 81 N 1.18 1.69 -0.55 1.67 0.00 -0.35 -2.71 119.26 120.18 3k4w h ALA 81 Ca 0.14 -0.12 -0.11 0.00 0.00 0.00 0.00 54.91 54.82 3k4w h ALA 81 Cb 0.07 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 3k4w h ALA 81 CO -0.11 0.23 -0.07 0.00 0.00 0.00 0.00 179.25 179.30 3k4w h ALA 82 N 1.78 0.83 -0.33 0.00 0.00 -0.62 -1.10 119.26 119.82 3k4w h ALA 82 Ca 0.05 -0.33 -0.02 0.00 0.00 0.00 0.00 54.91 54.60 3k4w h ALA 82 Cb 0.20 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 3k4w h ALA 82 CO 0.01 0.66 0.13 0.28 0.00 0.00 0.00 179.25 180.33 3k4w h VAL 83 N 0.91 1.18 -0.82 0.00 2.07 -1.15 -0.98 116.25 117.46 3k4w h VAL 83 Ca 0.15 -0.56 -0.02 0.00 0.82 0.00 0.00 66.70 67.09 3k4w h VAL 83 Cb 0.63 0.94 -0.04 0.00 -1.52 0.00 0.00 31.29 31.30 3k4w h VAL 83 CO 0.04 0.20 0.43 0.00 0.02 0.00 0.00 177.57 178.26 3k4w h ALA 84 N 0.98 1.06 0.00 1.67 0.00 -1.42 -1.78 119.26 119.76 3k4w h ALA 84 Ca 0.11 -0.14 -0.09 0.00 0.00 0.00 0.00 54.91 54.80 3k4w h ALA 84 Cb 0.18 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 3k4w h ALA 84 CO -0.01 0.59 -0.41 1.57 0.00 0.00 0.00 179.25 180.99 3k4w h LYS 85 N 1.16 0.00 -0.32 0.00 2.10 -0.76 -1.01 116.57 117.73 3k4w h LYS 85 Ca 0.29 0.00 -0.13 0.00 -2.00 0.00 0.00 60.65 58.80 3k4w h LYS 85 Cb 0.06 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.38 3k4w h LYS 85 CO -0.04 0.41 -0.34 0.00 -2.00 0.00 0.00 179.45 177.47 3k4w h ALA 86 N 1.59 0.78 -2.06 0.07 0.00 -0.99 -3.38 119.26 115.27 3k4w h ALA 86 Ca -0.00 -0.42 -0.57 0.00 0.00 0.00 0.00 54.91 53.91 3k4w h ALA 86 Cb 0.94 -0.13 -0.40 0.00 0.00 0.00 0.00 17.79 18.20 3k4w h ALA 86 CO 0.05 0.65 -0.95 0.66 0.00 0.00 0.00 179.25 179.67 3k4w n TYR 87 N -4.06 0.98 0.06 0.00 4.01 -0.69 -4.99 117.16 112.48 3k4w n TYR 87 Ca -0.01 -3.77 0.02 0.00 -0.16 0.00 0.00 57.90 53.98 3k4w n TYR 87 Cb 0.50 -0.42 0.36 0.00 -0.31 0.00 0.00 39.34 39.47 3k4w n TYR 87 CO 0.00 0.00 0.00 -1.35 -0.46 0.00 0.00 176.86 175.05 3k4w h PRO 88 N 3.96 0.38 0.00 -0.72 0.11 -1.39 -1.37 132.00 132.98 3k4w h PRO 88 Ca 0.11 -0.08 0.00 0.00 0.11 0.00 0.00 66.00 66.15 3k4w h PRO 88 Cb 0.81 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 31.86 3k4w h PRO 88 CO 0.58 0.44 -0.11 0.38 -0.21 0.00 0.00 178.00 179.08 3k4w h ASP 89 N 0.37 0.00 0.00 -2.05 2.03 -1.94 -3.38 116.42 111.44 3k4w h ASP 89 Ca 0.08 -0.03 -0.40 0.00 -0.73 0.00 0.00 57.03 55.95 3k4w h ASP 89 Cb 0.31 0.00 -0.07 0.00 -0.83 0.00 0.00 39.33 38.74 3k4w h ASP 89 CO 0.01 0.02 -2.45 0.29 -1.03 0.00 0.00 179.24 176.08 3k4w n LYS 90 N -2.35 0.61 -4.22 4.15 4.76 -0.56 -4.74 118.16 115.82 3k4w n LYS 90 Ca 0.05 0.17 -0.32 0.00 -2.87 0.00 0.00 58.31 55.34 3k4w n LYS 90 Cb 0.45 -1.49 -0.16 0.00 -1.84 0.00 0.00 35.03 31.98 3k4w n LYS 90 CO 0.00 0.00 0.00 -0.06 -1.37 0.00 0.00 177.40 175.97 3k4w s PHE 91 N -2.50 2.50 -0.22 2.13 0.08 -0.95 -0.51 117.98 118.51 3k4w s PHE 91 Ca -0.35 -1.40 -0.17 0.00 0.12 0.00 0.00 56.93 55.13 3k4w s PHE 91 Cb 0.10 -1.76 -0.03 0.00 -0.57 0.00 0.00 43.02 40.76 3k4w s PHE 91 CO 0.55 -0.70 0.45 -1.01 -0.10 0.00 0.00 175.22 174.42 3k4w s HIS 92 N 1.23 3.34 0.36 0.36 3.76 -0.48 -4.47 115.29 119.40 3k4w s HIS 92 Ca 0.02 0.64 -0.25 0.00 -0.15 0.00 0.00 55.06 55.32 3k4w s HIS 92 Cb -0.14 -2.61 -0.09 0.00 1.11 0.00 0.00 32.58 30.85 3k4w s HIS 92 CO -0.09 -0.11 1.03 -1.25 -0.85 0.00 0.00 174.74 173.46 3k4w s PRO 93 N 1.68 4.33 -0.11 8.40 0.04 -1.26 -1.99 135.00 146.10 3k4w s PRO 93 Ca 0.20 1.50 0.03 0.00 0.04 0.00 0.00 61.00 62.78 3k4w s PRO 93 Cb -0.15 -2.69 0.00 0.00 0.04 0.00 0.00 34.50 31.70 3k4w s PRO 93 CO 0.09 0.01 -0.23 0.08 0.04 0.00 0.00 177.00 176.99 3k4w s VAL 94 N -1.59 2.14 -0.03 -0.36 1.01 -0.84 -4.57 120.40 116.15 3k4w s VAL 94 Ca 0.54 -0.99 -0.16 0.00 0.00 0.00 0.00 61.98 61.38 3k4w s VAL 94 Cb -0.22 -1.82 -0.05 0.00 0.00 0.00 0.00 36.38 34.28 3k4w s VAL 94 CO 0.28 0.56 0.43 -0.83 0.00 0.00 0.00 175.10 175.54 3k4w s GLY 95 N 0.40 2.46 -0.10 4.51 0.00 -0.68 -4.36 107.32 109.56 3k4w s GLY 95 Ca -0.17 -0.20 -0.02 0.00 0.00 0.00 0.00 44.72 44.33 3k4w s GLY 95 CO 0.07 0.36 -0.00 -0.56 0.00 0.00 0.00 173.10 172.97 3k4w s SER 96 N -0.54 5.18 -0.14 1.64 0.01 -1.26 0.51 113.70 119.09 3k4w s SER 96 Ca 0.24 0.11 -0.03 0.00 1.31 0.00 0.00 55.95 57.58 3k4w s SER 96 Cb -0.16 -1.51 -0.03 0.00 0.21 0.00 0.00 66.02 64.53 3k4w s SER 96 CO 0.12 0.35 -0.05 -0.63 0.41 0.00 0.00 173.24 173.44 3k4w s ILE 97 N -0.70 3.79 -0.31 1.44 1.01 -0.85 -4.73 121.20 120.85 3k4w s ILE 97 Ca 0.11 -0.40 0.00 0.00 0.00 0.00 0.00 60.65 60.36 3k4w s ILE 97 Cb -0.12 -2.64 0.14 0.00 0.01 0.00 0.00 42.46 39.86 3k4w s ILE 97 CO 0.02 0.51 0.30 -0.70 0.00 0.00 0.00 174.94 175.08 3k4w s GLU 98 N 0.17 0.40 0.02 2.79 2.12 -1.26 -4.62 118.70 118.32 3k4w s GLU 98 Ca -0.02 -0.38 -0.04 0.00 0.36 0.00 0.00 54.97 54.89 3k4w s GLU 98 Cb -0.14 -0.72 -0.01 0.00 0.26 0.00 0.00 34.13 33.52 3k4w s GLU 98 CO 0.03 -1.08 0.06 0.00 -0.54 0.00 0.00 175.26 173.73 3k4w s ALA 99 N 2.08 -0.07 -0.07 6.30 0.00 -1.26 -4.92 121.76 123.82 3k4w s ALA 99 Ca 0.11 -0.44 -0.26 0.00 0.00 0.00 0.00 51.96 51.38 3k4w s ALA 99 Cb -0.15 0.16 -0.21 0.00 0.00 0.00 0.00 23.12 22.92 3k4w s ALA 99 CO -0.25 -0.22 1.01 0.00 0.00 0.00 0.00 175.76 176.30 3k4w h ALA 100 N 4.25 -0.03 -1.85 0.00 0.00 -1.99 -3.47 119.26 116.16 3k4w h ALA 100 Ca -0.32 -0.33 -0.50 0.00 0.00 0.00 0.00 54.91 53.76 3k4w h ALA 100 Cb 1.20 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.96 3k4w h ALA 100 CO 0.44 -0.17 -0.45 0.95 0.00 0.00 0.00 179.25 180.02 3k4w s THR 101 N -3.35 3.51 0.22 0.00 -4.23 -1.26 -5.04 115.64 105.50 3k4w s THR 101 Ca -0.16 -1.38 -0.06 0.00 -1.18 0.00 0.00 61.69 58.91 3k4w s THR 101 Cb -0.00 -3.18 0.13 0.00 1.34 0.00 0.00 72.50 70.79 3k4w s THR 101 CO 0.64 -0.17 1.75 -0.09 -0.54 0.00 0.00 174.62 176.21 3k4w h ARG 102 N 1.25 1.04 -0.42 3.99 2.43 -1.93 -1.55 114.38 119.20 3k4w h ARG 102 Ca -0.45 -0.24 -0.04 0.00 -0.81 0.00 0.00 59.98 58.44 3k4w h ARG 102 Cb 1.25 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 30.65 3k4w h ARG 102 CO 0.58 0.93 0.11 0.87 -1.51 0.00 0.00 179.97 180.95 3k4w h LYS 103 N 0.99 0.66 -0.07 0.20 1.57 -1.99 -1.18 116.57 116.75 3k4w h LYS 103 Ca 0.21 -0.15 0.02 0.00 -1.87 0.00 0.00 60.65 58.86 3k4w h LYS 103 Cb 0.36 -0.09 -0.03 0.00 0.08 0.00 0.00 32.23 32.56 3k4w h LYS 103 CO 0.00 0.67 -0.08 1.49 -0.57 0.00 0.00 179.45 180.96 3k4w h GLU 104 N 0.53 -0.10 -0.98 3.15 4.81 -1.95 -1.58 114.58 118.47 3k4w h GLU 104 Ca 0.13 0.01 0.03 0.00 -0.13 0.00 0.00 59.36 59.40 3k4w h GLU 104 Cb 0.30 0.02 -0.06 0.00 0.63 0.00 0.00 28.75 29.64 3k4w h GLU 104 CO -0.00 -0.06 0.64 0.00 -0.73 0.00 0.00 179.01 178.86 3k4w h ALA 105 N 0.96 1.29 0.00 2.92 0.00 -1.03 -1.40 119.26 122.00 3k4w h ALA 105 Ca 0.06 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 3k4w h ALA 105 Cb 0.18 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 3k4w h ALA 105 CO -0.13 0.54 -0.19 0.52 0.00 0.00 0.00 179.25 179.99 3k4w h MET 106 N 1.25 0.00 -0.18 0.00 2.86 -1.07 -0.49 114.93 117.30 3k4w h MET 106 Ca 0.39 0.00 -0.09 0.00 -2.06 0.00 0.00 59.70 57.94 3k4w h MET 106 Cb -0.02 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.64 3k4w h MET 106 CO -0.12 0.19 -0.24 0.00 1.06 0.00 0.00 176.91 177.80 3k4w h ALA 107 N 1.81 0.27 -0.49 6.32 0.00 -0.89 -1.98 119.26 124.31 3k4w h ALA 107 Ca -0.00 -0.38 -0.03 0.00 0.00 0.00 0.00 54.91 54.50 3k4w h ALA 107 Cb 0.99 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.70 3k4w h ALA 107 CO 0.02 0.24 0.17 1.96 0.00 0.00 0.00 179.25 181.65 3k4w h GLN 108 N 0.13 0.74 -0.80 0.00 4.20 -1.09 -1.92 115.11 116.37 3k4w h GLN 108 Ca 0.02 -0.15 0.07 0.00 0.06 0.00 0.00 58.65 58.66 3k4w h GLN 108 Cb 0.80 -0.11 -0.06 0.00 0.30 0.00 0.00 27.48 28.41 3k4w h GLN 108 CO 0.06 0.68 0.47 1.98 -0.67 0.00 0.00 178.83 181.35 3k4w h MET 109 N 0.65 0.82 -0.39 1.46 4.05 -1.13 0.11 114.93 120.50 3k4w h MET 109 Ca 0.16 -0.05 0.01 0.00 -0.28 0.00 0.00 59.70 59.54 3k4w h MET 109 Cb 0.23 -0.18 -0.02 0.00 -0.80 0.00 0.00 31.60 30.83 3k4w h MET 109 CO -0.01 0.54 0.25 0.37 0.23 0.00 0.00 176.91 178.29 3k4w h GLN 110 N 0.84 0.49 -0.23 0.39 5.75 -0.75 -1.42 115.11 120.18 3k4w h GLN 110 Ca 0.37 -0.03 -0.00 0.00 -0.15 0.00 0.00 58.65 58.83 3k4w h GLN 110 Cb 0.24 -0.11 -0.01 0.00 1.07 0.00 0.00 27.48 28.67 3k4w h GLN 110 CO -0.20 0.33 0.14 1.49 -2.65 0.00 0.00 178.83 177.93 3k4w h GLU 111 N 0.51 0.31 -0.53 1.69 4.81 -1.15 -0.96 114.58 119.26 3k4w h GLU 111 Ca 0.15 -0.03 0.02 0.00 -0.13 0.00 0.00 59.36 59.37 3k4w h GLU 111 Cb -0.04 -0.07 -0.03 0.00 0.63 0.00 0.00 28.75 29.24 3k4w h GLU 111 CO -0.04 0.25 0.33 0.82 -0.73 0.00 0.00 179.01 179.63 3k4w h ILE 112 N 0.29 1.08 -0.73 2.32 2.04 -0.22 -1.86 117.51 120.42 3k4w h ILE 112 Ca 0.08 -0.22 -0.06 0.00 1.00 0.00 0.00 64.86 65.66 3k4w h ILE 112 Cb 0.02 0.37 -0.03 0.00 -0.74 0.00 0.00 36.82 36.44 3k4w h ILE 112 CO -0.02 0.12 0.21 -0.07 0.00 0.00 0.00 178.15 178.39 3k4w h LEU 113 N 0.65 1.08 -1.76 1.44 3.38 -1.12 -2.65 115.31 116.33 3k4w h LEU 113 Ca 0.21 -0.21 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 3k4w h LEU 113 Cb -0.01 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 40.46 3k4w h LEU 113 CO -0.08 1.01 -0.10 0.44 0.09 0.00 0.00 178.44 179.80 3k4w h ASP 114 N 1.10 0.02 0.66 -0.43 3.32 -0.48 -1.71 116.42 118.90 3k4w h ASP 114 Ca 0.23 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.28 3k4w h ASP 114 Cb 0.33 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 39.88 3k4w h ASP 114 CO -0.00 0.13 0.00 0.18 -1.72 0.00 0.00 179.24 177.82 3k4w n LEU 115 N -4.41 0.00 0.00 1.55 4.77 -0.76 -4.89 117.00 113.26 3k4w n LEU 115 Ca -0.02 0.41 0.00 0.00 -0.03 0.00 0.00 56.01 56.36 3k4w n LEU 115 Cb 0.18 -0.41 0.00 0.00 -2.33 0.00 0.00 43.42 40.87 3k4w n LEU 115 CO 0.36 -0.08 0.00 0.61 -1.33 0.00 0.00 177.39 176.95 3k4w n GLY 116 N 0.86 0.77 3.76 -0.72 0.00 -0.64 -5.02 105.19 104.21 3k4w n GLY 116 Ca 0.08 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.70 3k4w n GLY 116 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3k4w s ILE 117 N -2.15 4.32 0.00 -0.61 1.01 -1.03 -4.97 121.20 117.77 3k4w s ILE 117 Ca 0.00 1.85 0.00 0.00 0.00 0.00 0.00 60.65 62.50 3k4w s ILE 117 Cb 0.00 -4.21 0.00 0.00 0.01 0.00 0.00 42.46 38.26 3k4w s ILE 117 CO 0.00 0.48 0.57 0.54 0.00 0.00 0.00 174.94 176.53 3k4w n ARG 118 N 1.78 0.38 -4.67 2.79 5.12 -1.26 -4.26 116.66 116.54 3k4w n ARG 118 Ca -0.04 -0.71 -0.24 0.00 -1.93 0.00 0.00 57.85 54.93 3k4w n ARG 118 Cb 0.48 -0.88 -0.16 0.00 -1.16 0.00 0.00 32.46 30.74 3k4w n ARG 118 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 3k4w s ILE 119 N -0.28 1.21 0.08 0.55 1.01 -1.26 -4.43 121.20 118.07 3k4w s ILE 119 Ca 0.00 -0.57 0.04 0.00 0.00 0.00 0.00 60.65 60.12 3k4w s ILE 119 Cb 0.00 -1.06 -0.04 0.00 0.01 0.00 0.00 42.46 41.37 3k4w s ILE 119 CO 0.00 0.36 0.03 0.68 0.00 0.00 0.00 174.94 176.01 3k4w s VAL 120 N 0.24 4.21 0.10 2.92 -7.23 -1.03 -1.68 120.40 117.93 3k4w s VAL 120 Ca -0.07 -0.87 0.09 0.00 -1.81 0.00 0.00 61.98 59.33 3k4w s VAL 120 Cb -0.12 -3.00 -0.04 0.00 0.56 0.00 0.00 36.38 33.78 3k4w s VAL 120 CO 0.02 0.15 -0.23 0.21 -0.31 0.00 0.00 175.10 174.94 3k4w s ASN 121 N -2.26 3.54 -0.05 4.85 2.47 0.18 -0.43 114.94 123.26 3k4w s ASN 121 Ca 0.26 -0.61 -0.02 0.00 0.42 0.00 0.00 52.86 52.91 3k4w s ASN 121 Cb -0.12 -0.39 0.04 0.00 -1.45 0.00 0.00 41.25 39.32 3k4w s ASN 121 CO 0.19 0.21 0.09 -0.76 -3.72 0.00 0.00 177.10 173.10 3k4w s LEU 122 N -1.85 0.58 -0.49 3.21 1.43 0.29 -2.01 118.68 119.84 3k4w s LEU 122 Ca 0.15 0.16 0.08 0.00 -1.03 0.00 0.00 54.13 53.49 3k4w s LEU 122 Cb -0.10 0.08 0.31 0.00 0.03 0.00 0.00 46.19 46.51 3k4w s LEU 122 CO 0.06 -0.18 0.77 -0.62 0.23 0.00 0.00 176.35 176.62 3k4w n GLU 123 N 4.63 1.99 0.30 1.70 1.02 -1.26 -1.70 120.64 127.33 3k4w n GLU 123 Ca -0.18 -4.10 0.20 0.00 -0.02 0.00 0.00 57.16 53.06 3k4w n GLU 123 Cb 0.50 -1.91 0.93 0.00 -0.02 0.00 0.00 31.44 30.94 3k4w n GLU 123 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 3k4w h PRO 124 N 3.37 0.00 0.00 3.49 0.13 -1.87 -1.43 132.00 135.70 3k4w h PRO 124 Ca 0.12 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.25 3k4w h PRO 124 Cb 0.74 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.87 3k4w h PRO 124 CO 0.66 0.01 -0.02 0.78 -0.23 0.00 0.00 178.00 179.20 3k4w h GLY 125 N 1.07 0.00 -2.00 1.56 0.00 -1.53 -0.56 103.07 101.61 3k4w h GLY 125 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3k4w h GLY 125 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 176.54 179.87 3k4w n VAL 126 N -3.14 1.01 -1.33 4.60 0.24 -0.54 -4.21 118.33 114.97 3k4w n VAL 126 Ca -0.00 -1.00 -0.32 0.00 -2.04 0.00 0.00 64.34 60.98 3k4w n VAL 126 Cb 0.27 0.49 0.09 0.00 -1.47 0.00 0.00 33.84 33.22 3k4w n VAL 126 CO 0.00 0.00 0.00 0.26 -2.14 0.00 0.00 176.83 174.95 3k4w s TRP 127 N -1.01 2.42 0.24 6.34 0.51 -1.16 -4.91 118.94 121.37 3k4w s TRP 127 Ca 0.36 1.59 -0.05 0.00 -2.12 0.00 0.00 56.10 55.88 3k4w s TRP 127 Cb 0.19 -3.15 0.37 0.00 -0.81 0.00 0.00 33.47 30.07 3k4w s TRP 127 CO 0.25 -1.96 1.82 0.00 -0.51 0.00 0.00 176.95 176.54 3k4w h ALA 128 N -0.85 1.14 -2.88 0.98 0.00 -1.94 -3.06 119.26 112.65 3k4w h ALA 128 Ca -0.45 0.02 -0.71 0.00 0.00 0.00 0.00 54.91 53.78 3k4w h ALA 128 Cb 1.24 -0.15 -0.28 0.00 0.00 0.00 0.00 17.79 18.61 3k4w h ALA 128 CO 0.51 0.12 -0.50 0.99 0.00 0.00 0.00 179.25 180.36 3k4w s THR 129 N -6.04 4.11 0.57 0.00 2.01 -1.26 -5.10 115.64 109.92 3k4w s THR 129 Ca -0.12 -1.35 -0.20 0.00 0.31 0.00 0.00 61.69 60.33 3k4w s THR 129 Cb 0.19 -3.48 -0.04 0.00 0.01 0.00 0.00 72.50 69.18 3k4w s THR 129 CO 0.78 -0.43 1.30 -2.84 -0.69 0.00 0.00 174.62 172.73 3k4w s PRO 130 N 1.41 3.01 0.12 4.92 0.02 -1.16 -4.98 135.00 138.34 3k4w s PRO 130 Ca 0.02 2.07 -0.09 0.00 0.02 0.00 0.00 61.00 63.03 3k4w s PRO 130 Cb -0.22 -2.10 -0.00 0.00 0.02 0.00 0.00 34.50 32.20 3k4w s PRO 130 CO 0.02 -1.24 0.22 0.00 -0.33 0.00 0.00 177.00 175.67 3k4w s MET 131 N -3.09 0.96 0.34 5.54 0.23 -0.23 -4.97 119.30 118.08 3k4w s MET 131 Ca 0.75 -1.05 -0.11 0.00 -1.03 0.00 0.00 55.69 54.25 3k4w s MET 131 Cb -0.37 0.35 -0.07 0.00 -1.53 0.00 0.00 34.83 33.21 3k4w s MET 131 CO 0.42 -0.32 0.71 -1.01 -2.03 0.00 0.00 175.02 172.78 3k4w s HIS 132 N -3.90 3.43 0.61 3.16 3.76 -1.26 -2.55 115.29 118.53 3k4w s HIS 132 Ca 0.10 1.05 0.30 0.00 -0.15 0.00 0.00 55.06 56.36 3k4w s HIS 132 Cb 0.04 -2.42 1.68 0.00 1.11 0.00 0.00 32.58 32.99 3k4w s HIS 132 CO -0.07 0.04 2.05 -0.39 -0.85 0.00 0.00 174.74 175.52 3k4w h VAL 133 N 1.54 0.33 -0.65 -0.90 -1.51 -1.92 0.49 116.25 113.63 3k4w h VAL 133 Ca -0.47 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.00 3k4w h VAL 133 Cb 1.18 0.78 0.00 0.00 -2.13 0.00 0.00 31.29 31.12 3k4w h VAL 133 CO 0.65 0.00 0.00 -0.90 -1.23 0.00 0.00 177.57 176.09 3k4w n ASP 134 N -3.57 4.58 -4.73 4.19 5.75 -1.26 -4.86 116.55 116.65 3k4w n ASP 134 Ca 0.02 -2.38 -0.42 0.00 -0.01 0.00 0.00 54.79 52.00 3k4w n ASP 134 Cb 0.38 -0.57 -0.00 0.00 -1.03 0.00 0.00 41.12 39.90 3k4w n ASP 134 CO 0.00 0.00 0.00 -0.67 -0.11 0.00 0.00 177.20 176.42 3k4w n ASP 135 N 1.19 3.21 -0.22 -1.12 -0.08 0.16 -4.85 116.55 114.84 3k4w n ASP 135 Ca 0.25 1.21 0.20 0.00 -1.51 0.00 0.00 54.79 54.94 3k4w n ASP 135 Cb 0.84 -1.55 0.54 0.00 2.34 0.00 0.00 41.12 43.30 3k4w n ASP 135 CO 0.00 0.00 0.00 0.08 0.12 0.00 0.00 177.20 177.40 3k4w h ARG 136 N 2.69 0.34 0.00 -0.67 0.11 -1.93 0.64 114.38 115.55 3k4w h ARG 136 Ca -0.48 -0.02 -0.01 0.00 0.10 0.00 0.00 59.98 59.57 3k4w h ARG 136 Cb 1.27 -0.08 -0.00 0.00 1.11 0.00 0.00 29.97 32.27 3k4w h ARG 136 CO 0.63 0.22 -0.04 0.00 0.10 0.00 0.00 179.97 180.88 3k4w h ARG 137 N 0.35 0.00 0.00 0.08 3.08 -1.96 -2.94 114.38 112.98 3k4w h ARG 137 Ca 0.45 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.50 3k4w h ARG 137 Cb 1.19 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.24 3k4w h ARG 137 CO -0.15 0.04 -0.56 -0.07 -1.07 0.00 0.00 179.97 178.17 3k4w h LEU 138 N 0.00 0.00 -1.24 3.04 3.38 -1.20 -3.39 115.31 115.91 3k4w h LEU 138 Ca -0.00 -0.12 0.03 0.00 0.09 0.00 0.00 57.88 57.89 3k4w h LEU 138 Cb 0.25 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.95 3k4w h LEU 138 CO 0.01 0.06 0.53 1.88 0.09 0.00 0.00 178.44 181.00 3k4w h TYR 139 N 0.00 0.96 -0.01 1.13 -1.99 -1.58 -1.92 116.97 113.56 3k4w h TYR 139 Ca 0.00 0.02 -0.06 0.00 2.00 0.00 0.00 58.73 60.70 3k4w h TYR 139 Cb 0.83 -0.32 -0.01 0.00 2.00 0.00 0.00 36.73 39.23 3k4w h TYR 139 CO 0.00 0.56 -0.26 -1.35 -0.00 0.00 0.00 178.16 177.12 3k4w h PRO 140 N 1.00 0.02 0.30 4.88 0.11 -1.79 -0.54 132.00 135.98 3k4w h PRO 140 Ca 0.32 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 66.41 3k4w h PRO 140 Cb 0.03 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.14 3k4w h PRO 140 CO -0.09 0.28 -0.14 1.25 -0.21 0.00 0.00 178.00 179.08 3k4w h LEU 141 N 0.02 -0.34 -1.10 2.35 5.85 -1.65 -1.98 115.31 118.47 3k4w h LEU 141 Ca 0.00 -0.12 0.12 0.00 0.84 0.00 0.00 57.88 58.72 3k4w h LEU 141 Cb 0.46 0.09 -0.08 0.00 0.37 0.00 0.00 40.66 41.50 3k4w h LEU 141 CO 0.03 -0.07 0.61 1.88 -0.34 0.00 0.00 178.44 180.56 3k4w h TYR 142 N -0.61 1.05 -0.39 1.25 0.05 -1.20 -0.79 116.97 116.34 3k4w h TYR 142 Ca -0.04 0.03 -0.12 0.00 0.05 0.00 0.00 58.73 58.65 3k4w h TYR 142 Cb 0.44 -0.33 -0.01 0.00 1.01 0.00 0.00 36.73 37.83 3k4w h TYR 142 CO -0.00 0.43 -0.24 0.00 -1.05 0.00 0.00 178.16 177.29 3k4w h ALA 143 N 1.55 0.84 0.06 3.88 0.00 -1.00 0.47 119.26 125.07 3k4w h ALA 143 Ca 0.47 -0.38 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 3k4w h ALA 143 Cb 0.51 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.15 3k4w h ALA 143 CO -0.24 0.64 -0.03 0.35 0.00 0.00 0.00 179.25 179.97 3k4w h PHE 144 N 0.69 -0.08 -0.68 0.00 3.57 -0.52 -2.35 116.94 117.57 3k4w h PHE 144 Ca 0.09 -0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.60 3k4w h PHE 144 Cb 0.76 0.03 -0.03 0.00 2.79 0.00 0.00 35.95 39.49 3k4w h PHE 144 CO 0.04 0.17 0.45 0.00 -2.23 0.00 0.00 178.31 176.74 3k4w h GLU 146 N 0.91 -0.59 -0.01 0.00 4.81 -0.88 -0.43 114.58 118.40 3k4w h GLU 146 Ca 0.25 0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.52 3k4w h GLU 146 Cb -0.10 0.13 -0.00 0.00 0.63 0.00 0.00 28.75 29.42 3k4w h GLU 146 CO -0.06 -0.40 0.01 -0.44 -0.73 0.00 0.00 179.01 177.39 3k4w h ASP 147 N -0.62 0.00 -0.31 1.04 3.32 -1.37 -2.83 116.42 115.65 3k4w h ASP 147 Ca -0.06 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.99 3k4w h ASP 147 Cb 0.47 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.02 3k4w h ASP 147 CO 0.10 0.00 0.00 0.59 -1.72 0.00 0.00 179.24 178.21 3k4w n ASN 148 N -4.24 3.11 -2.33 6.45 3.02 -0.51 -4.97 115.26 115.79 3k4w n ASN 148 Ca -0.03 -1.95 -0.21 0.00 -0.03 0.00 0.00 54.58 52.37 3k4w n ASN 148 Cb 0.09 -0.20 -0.02 0.00 -0.61 0.00 0.00 39.78 39.05 3k4w n ASN 148 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3k4w n GLY 149 N 1.43 -0.29 3.60 7.41 0.00 -0.84 -4.98 105.19 111.51 3k4w n GLY 149 Ca 0.18 -0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 3k4w n GLY 149 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3k4w s ILE 150 N -3.03 4.87 0.45 -0.61 1.01 -0.23 -4.64 121.20 119.02 3k4w s ILE 150 Ca 0.00 0.95 -0.24 0.00 0.00 0.00 0.00 60.65 61.36 3k4w s ILE 150 Cb 0.00 -4.07 -0.08 0.00 0.01 0.00 0.00 42.46 38.32 3k4w s ILE 150 CO 0.00 -0.22 1.27 -2.84 0.00 0.00 0.00 174.94 173.16 3k4w s PRO 151 N 2.78 3.76 -0.12 2.79 0.02 -1.26 -4.59 135.00 138.38 3k4w s PRO 151 Ca 0.28 2.06 0.02 0.00 0.02 0.00 0.00 61.00 63.39 3k4w s PRO 151 Cb -0.14 -2.57 0.01 0.00 0.02 0.00 0.00 34.50 31.82 3k4w s PRO 151 CO 0.13 -0.63 -0.18 0.08 -0.33 0.00 0.00 177.00 176.06 3k4w s VAL 152 N -1.35 1.76 -0.17 3.83 1.01 -0.40 -2.47 120.40 122.62 3k4w s VAL 152 Ca 0.61 -0.80 -0.20 0.00 0.00 0.00 0.00 61.98 61.59 3k4w s VAL 152 Cb -0.36 -1.58 -0.03 0.00 0.00 0.00 0.00 36.38 34.41 3k4w s VAL 152 CO 0.45 0.49 0.57 -0.63 0.00 0.00 0.00 175.10 175.98 3k4w s ILE 153 N 0.89 5.08 -0.08 2.22 1.01 0.43 -0.63 121.20 130.13 3k4w s ILE 153 Ca -0.07 1.08 0.03 0.00 0.00 0.00 0.00 60.65 61.69 3k4w s ILE 153 Cb -0.15 -3.89 0.01 0.00 0.01 0.00 0.00 42.46 38.43 3k4w s ILE 153 CO -0.01 0.18 -0.17 0.00 0.00 0.00 0.00 174.94 174.94 3k4w s MET 154 N 1.50 2.25 -0.39 2.79 0.23 0.29 -0.55 119.30 125.42 3k4w s MET 154 Ca 0.27 -0.61 -0.29 0.00 -1.03 0.00 0.00 55.69 54.03 3k4w s MET 154 Cb -0.16 -1.78 -0.00 0.00 -1.53 0.00 0.00 34.83 31.37 3k4w s MET 154 CO 0.11 0.10 1.58 1.41 -2.03 0.00 0.00 175.02 176.19 3k4w s MET 155 N 0.50 3.46 -0.03 3.16 1.75 -0.69 -0.98 119.30 126.46 3k4w s MET 155 Ca -0.16 1.12 0.05 0.00 -1.25 0.00 0.00 55.69 55.45 3k4w s MET 155 Cb -0.16 -4.10 0.08 0.00 2.84 0.00 0.00 34.83 33.48 3k4w s MET 155 CO 0.06 -1.71 0.93 0.25 -0.65 0.00 0.00 175.02 173.89 3k4w n THR 156 N 7.22 0.83 -4.30 10.11 -2.24 -1.09 -4.82 114.28 119.99 3k4w n THR 156 Ca 0.19 -0.93 -0.16 0.00 -2.27 0.00 0.00 64.05 60.88 3k4w n THR 156 Cb 0.48 0.42 -0.10 0.00 -2.10 0.00 0.00 70.33 69.02 3k4w n THR 156 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 3k4w s GLY 157 N -1.26 1.56 0.00 3.38 0.00 -1.14 -3.93 107.32 105.94 3k4w s GLY 157 Ca 0.08 -1.77 0.00 0.00 0.00 0.00 0.00 44.72 43.03 3k4w s GLY 157 CO 0.01 -1.60 0.00 0.61 0.00 0.00 0.00 173.10 172.12 3k4w n GLY 158 N -0.40 1.31 2.41 0.20 0.00 0.13 -3.54 105.19 105.30 3k4w n GLY 158 Ca -0.03 -0.69 -0.40 0.00 0.00 0.00 0.00 46.02 44.90 3k4w n GLY 158 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3k4w n ASN 159 N 0.89 8.09 0.21 1.61 3.02 -1.26 -4.69 115.26 123.12 3k4w n ASN 159 Ca 0.00 -2.77 0.09 0.00 -0.03 0.00 0.00 54.58 51.87 3k4w n ASN 159 Cb 0.00 -1.51 0.33 0.00 -0.61 0.00 0.00 39.78 38.00 3k4w n ASN 159 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3k4w h ALA 160 N 4.98 0.93 -2.60 5.41 0.00 -1.87 -3.47 119.26 122.66 3k4w h ALA 160 Ca 0.79 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 55.45 3k4w h ALA 160 Cb 0.32 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.07 3k4w h ALA 160 CO 1.70 0.31 -0.01 0.41 0.00 0.00 0.00 179.25 181.67 3k4w n GLY 161 N 0.52 2.93 0.23 0.00 0.00 -1.26 -3.28 105.19 104.32 3k4w n GLY 161 Ca 0.01 -1.35 0.08 0.00 0.00 0.00 0.00 46.02 44.76 3k4w n GLY 161 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3k4w h PRO 162 N 0.00 0.00 0.00 1.61 0.10 -1.90 -3.46 132.00 128.35 3k4w h PRO 162 Ca -0.02 0.00 -0.25 0.00 0.10 0.00 0.00 66.00 65.83 3k4w h PRO 162 Cb 0.09 0.00 -0.06 0.00 0.10 0.00 0.00 31.00 31.13 3k4w h PRO 162 CO 0.03 0.23 -0.12 -0.40 0.10 0.00 0.00 178.00 177.84 3k4w n ASP 163 N -3.79 -1.26 0.09 -2.05 5.68 -1.26 -5.06 116.55 108.91 3k4w n ASP 163 Ca -0.02 -2.70 0.12 0.00 -0.50 0.00 0.00 54.79 51.69 3k4w n ASP 163 Cb 0.33 2.34 0.45 0.00 -1.14 0.00 0.00 41.12 43.11 3k4w n ASP 163 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3k4w n ILE 164 N -0.52 0.66 0.31 2.12 3.06 -1.26 -1.95 119.36 121.78 3k4w n ILE 164 Ca 0.00 -0.00 0.20 0.00 -2.50 0.00 0.00 62.75 60.45 3k4w n ILE 164 Cb 0.53 -0.84 0.97 0.00 0.54 0.00 0.00 39.64 40.83 3k4w n ILE 164 CO 0.00 0.00 0.00 0.71 -2.50 0.00 0.00 176.55 174.76 3k4w h THR 165 N 0.00 0.00 -0.00 9.51 1.35 -1.97 -0.70 112.91 121.10 3k4w h THR 165 Ca 0.00 -0.25 0.00 0.00 -0.55 0.00 0.00 66.41 65.61 3k4w h THR 165 Cb 0.52 1.25 0.00 0.00 -1.73 0.00 0.00 68.15 68.19 3k4w h THR 165 CO 0.00 0.00 0.00 -1.22 -0.25 0.00 0.00 175.52 174.05 3k4w n TYR 166 N -3.08 0.00 0.35 4.73 4.01 -0.82 -2.60 117.16 119.75 3k4w n TYR 166 Ca -0.01 -0.00 0.04 0.00 -0.16 0.00 0.00 57.90 57.76 3k4w n TYR 166 Cb 0.18 0.00 -0.00 0.00 -0.31 0.00 0.00 39.34 39.21 3k4w n TYR 166 CO 0.00 0.00 0.00 0.25 -0.46 0.00 0.00 176.86 176.65 3k4w n THR 167 N -0.78 0.00 -1.69 -0.72 -2.24 -0.28 -4.69 114.28 103.88 3k4w n THR 167 Ca 0.23 -0.41 -0.42 0.00 -2.27 0.00 0.00 64.05 61.18 3k4w n THR 167 Cb 0.15 1.09 -0.03 0.00 -2.10 0.00 0.00 70.33 69.44 3k4w n THR 167 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 3k4w s ASN 168 N -1.20 6.44 0.00 3.42 3.84 -1.07 -4.81 114.94 121.56 3k4w s ASN 168 Ca 0.06 2.71 0.00 0.00 0.21 0.00 0.00 52.86 55.85 3k4w s ASN 168 Cb 0.06 -2.55 0.01 0.00 -0.55 0.00 0.00 41.25 38.22 3k4w s ASN 168 CO 0.20 -1.03 0.98 -0.81 -2.79 0.00 0.00 177.10 173.65 3k4w n PRO 169 N 6.61 0.00 0.22 0.43 -0.04 -1.26 -2.21 135.00 138.76 3k4w n PRO 169 Ca 0.19 0.47 0.08 0.00 -0.04 0.00 0.00 63.50 64.20 3k4w n PRO 169 Cb 0.40 -1.53 0.50 0.00 -0.04 0.00 0.00 33.50 32.82 3k4w n PRO 169 CO 0.00 0.00 0.00 1.05 -0.04 0.00 0.00 175.50 176.51 3k4w h GLU 170 N 0.00 0.00 -0.01 0.54 4.11 -1.96 -1.98 114.58 115.28 3k4w h GLU 170 Ca 0.00 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.42 3k4w h GLU 170 Cb 0.06 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.31 3k4w h GLU 170 CO 0.00 0.26 -0.04 0.45 0.07 0.00 0.00 179.01 179.75 3k4w h HIS 171 N 0.00 0.06 -0.53 2.06 3.86 -1.81 -2.54 115.15 116.25 3k4w h HIS 171 Ca -0.00 -0.03 -0.08 0.00 -1.16 0.00 0.00 60.37 59.10 3k4w h HIS 171 Cb 0.62 -0.01 -0.02 0.00 1.06 0.00 0.00 27.41 29.06 3k4w h HIS 171 CO 0.00 0.70 0.01 0.97 0.86 0.00 0.00 177.93 180.47 3k4w h ILE 172 N -0.60 1.25 -0.68 2.45 2.10 -1.74 -3.02 117.51 117.27 3k4w h ILE 172 Ca -0.00 -1.04 0.00 0.00 1.08 0.00 0.00 64.86 64.90 3k4w h ILE 172 Cb 0.70 0.83 -0.03 0.00 -1.09 0.00 0.00 36.82 37.23 3k4w h ILE 172 CO 0.01 0.37 0.44 -0.78 -1.08 0.00 0.00 178.15 177.11 3k4w h ASP 173 N 0.83 0.79 0.18 2.19 3.58 -1.35 -0.75 116.42 121.88 3k4w h ASP 173 Ca 0.16 -0.03 -0.01 0.00 0.42 0.00 0.00 57.03 57.57 3k4w h ASP 173 Cb 0.48 -0.20 0.00 0.00 1.72 0.00 0.00 39.33 41.33 3k4w h ASP 173 CO 0.02 0.58 -0.08 0.03 -2.88 0.00 0.00 179.24 176.91 3k4w h ARG 174 N 0.93 -0.23 -0.38 0.28 3.08 -1.33 -0.70 114.38 116.02 3k4w h ARG 174 Ca 0.25 0.02 0.08 0.00 0.07 0.00 0.00 59.98 60.39 3k4w h ARG 174 Cb -0.09 0.05 -0.07 0.00 0.08 0.00 0.00 29.97 29.94 3k4w h ARG 174 CO -0.05 -0.05 -0.11 0.28 -1.07 0.00 0.00 179.97 178.97 3k4w h VAL 175 N -0.37 0.58 -0.67 2.04 2.07 -1.32 0.20 116.25 118.80 3k4w h VAL 175 Ca -0.02 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.47 3k4w h VAL 175 Cb 0.29 0.58 -0.03 0.00 -1.52 0.00 0.00 31.29 30.61 3k4w h VAL 175 CO 0.04 0.00 0.32 -0.07 0.02 0.00 0.00 177.57 177.88 3k4w h LEU 176 N -0.02 0.85 -0.86 2.57 3.38 -1.02 0.16 115.31 120.38 3k4w h LEU 176 Ca 0.19 -0.09 -0.06 0.00 0.09 0.00 0.00 57.88 58.00 3k4w h LEU 176 Cb 0.31 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.81 3k4w h LEU 176 CO -0.41 0.73 0.12 1.23 0.09 0.00 0.00 178.44 180.20 3k4w h GLY 177 N 1.02 1.04 1.38 0.83 0.00 -0.51 -3.15 103.07 103.67 3k4w h GLY 177 Ca 0.23 -0.64 -0.03 0.00 0.00 0.00 0.00 47.33 46.89 3k4w h GLY 177 CO -0.03 0.60 -0.71 -0.55 0.00 0.00 0.00 176.54 175.85 3k4w h ASP 178 N 0.92 0.00 -2.72 0.19 3.32 -0.56 -3.38 116.42 114.19 3k4w h ASP 178 Ca 0.19 0.00 -0.61 0.00 0.02 0.00 0.00 57.03 56.63 3k4w h ASP 178 Cb 0.37 0.00 -0.41 0.00 0.22 0.00 0.00 39.33 39.51 3k4w h ASP 178 CO 0.01 0.11 -0.69 0.49 -1.72 0.00 0.00 179.24 177.43 3k4w n PHE 179 N -2.88 2.25 0.79 4.55 3.72 0.53 -4.95 117.46 121.48 3k4w n PHE 179 Ca 0.00 -4.04 0.11 0.00 -0.05 0.00 0.00 57.45 53.47 3k4w n PHE 179 Cb 0.59 -0.42 0.48 0.00 -0.94 0.00 0.00 39.48 39.20 3k4w n PHE 179 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36 3k4w n PRO 180 N 1.91 0.02 -0.14 -1.08 -0.04 -1.21 -2.55 135.00 131.91 3k4w n PRO 180 Ca 0.24 0.11 0.05 0.00 -0.04 0.00 0.00 63.50 63.86 3k4w n PRO 180 Cb 0.40 -1.50 0.13 0.00 -0.04 0.00 0.00 33.50 32.49 3k4w n PRO 180 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 3k4w n ASP 181 N -1.49 2.70 -4.70 3.54 8.00 -1.26 -4.78 116.55 118.56 3k4w n ASP 181 Ca 0.06 -1.90 -0.39 0.00 0.71 0.00 0.00 54.79 53.27 3k4w n ASP 181 Cb 0.26 -0.18 -0.05 0.00 -0.02 0.00 0.00 41.12 41.12 3k4w n ASP 181 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 3k4w s LEU 182 N -0.98 4.25 -0.21 0.64 2.96 -1.06 -4.94 118.68 119.34 3k4w s LEU 182 Ca 0.20 0.96 -0.24 0.00 -0.22 0.00 0.00 54.13 54.83 3k4w s LEU 182 Cb 0.11 -2.89 -0.01 0.00 0.50 0.00 0.00 46.19 43.90 3k4w s LEU 182 CO 0.15 -0.12 0.80 -0.89 -1.32 0.00 0.00 176.35 174.97 3k4w s THR 183 N 1.05 4.87 -0.03 3.68 2.01 -1.26 -4.75 115.64 121.20 3k4w s THR 183 Ca 0.31 1.54 0.06 0.00 0.31 0.00 0.00 61.69 63.90 3k4w s THR 183 Cb -0.16 -4.10 -0.01 0.00 0.01 0.00 0.00 72.50 68.24 3k4w s THR 183 CO 0.13 -0.02 -0.20 -0.69 -0.69 0.00 0.00 174.62 173.15 3k4w s VAL 184 N 2.51 1.65 -0.20 3.82 1.01 -0.89 -1.27 120.40 127.02 3k4w s VAL 184 Ca 0.35 -0.87 -0.03 0.00 0.00 0.00 0.00 61.98 61.43 3k4w s VAL 184 Cb -0.16 -1.40 -0.01 0.00 0.00 0.00 0.00 36.38 34.82 3k4w s VAL 184 CO 0.09 0.47 -0.06 -0.69 0.00 0.00 0.00 175.10 174.91 3k4w s VAL 185 N -0.23 3.29 -0.61 2.92 1.01 0.20 -1.23 120.40 125.74 3k4w s VAL 185 Ca 0.01 -0.53 -0.27 0.00 0.00 0.00 0.00 61.98 61.20 3k4w s VAL 185 Cb -0.10 -2.47 0.04 0.00 0.00 0.00 0.00 36.38 33.84 3k4w s VAL 185 CO 0.01 0.45 1.13 -0.55 0.00 0.00 0.00 175.10 176.14 3k4w s SER 186 N 1.25 6.35 0.19 3.32 0.15 -0.51 -0.55 113.70 123.89 3k4w s SER 186 Ca 0.03 -0.19 -0.29 0.00 0.70 0.00 0.00 55.95 56.20 3k4w s SER 186 Cb -0.14 -2.52 -0.08 0.00 -1.71 0.00 0.00 66.02 61.57 3k4w s SER 186 CO -0.02 -1.49 0.92 -0.94 1.20 0.00 0.00 173.24 172.91 3k4w s SER 187 N 3.13 7.55 0.00 5.45 1.04 -0.15 -1.62 113.70 129.10 3k4w s SER 187 Ca 0.37 1.84 0.00 0.00 0.48 0.00 0.00 55.95 58.64 3k4w s SER 187 Cb -0.09 -2.58 0.00 0.00 0.10 0.00 0.00 66.02 63.44 3k4w s SER 187 CO 0.21 0.10 0.00 1.41 0.98 0.00 0.00 173.24 175.93 3k4w n HIS 188 N 1.92 0.00 -1.98 5.02 8.25 0.52 -2.67 115.22 126.29 3k4w n HIS 188 Ca -0.01 0.00 -0.20 0.00 -0.26 0.00 0.00 57.72 57.25 3k4w n HIS 188 Cb 0.48 -0.29 -0.05 0.00 1.12 0.00 0.00 29.99 31.25 3k4w n HIS 188 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3k4w n GLY 189 N -2.16 0.72 2.32 -1.41 0.00 -0.80 -1.86 105.19 102.00 3k4w n GLY 189 Ca 0.00 -0.06 -0.15 0.00 0.00 0.00 0.00 46.02 45.80 3k4w n GLY 189 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3k4w n ASN 190 N -1.48 -4.39 -4.76 1.61 5.15 -1.25 -4.89 115.26 105.25 3k4w n ASN 190 Ca -0.22 0.23 -0.41 0.00 -0.60 0.00 0.00 54.58 53.59 3k4w n ASN 190 Cb 0.66 -3.82 -0.02 0.00 -0.53 0.00 0.00 39.78 36.07 3k4w n ASN 190 CO 0.00 0.00 0.00 0.86 1.40 0.00 0.00 177.26 179.52 3k4w s TRP 191 N -2.57 2.94 -2.39 1.20 -0.00 -0.78 -1.46 118.94 115.89 3k4w s TRP 191 Ca 0.00 1.18 0.22 0.00 -0.00 0.00 0.00 56.10 57.50 3k4w s TRP 191 Cb 0.00 -3.82 0.67 0.00 -0.00 0.00 0.00 33.47 30.32 3k4w s TRP 191 CO 0.00 -2.47 1.51 -0.35 -0.00 0.00 0.00 176.95 175.64 3k4w n PRO 192 N 1.44 1.94 -2.00 5.86 -0.04 -1.26 0.17 135.00 141.10 3k4w n PRO 192 Ca 0.03 -1.40 -0.41 0.00 -0.04 0.00 0.00 63.50 61.69 3k4w n PRO 192 Cb 0.40 -1.43 -0.00 0.00 -0.04 0.00 0.00 33.50 32.43 3k4w n PRO 192 CO 0.00 0.00 0.00 0.91 -0.04 0.00 0.00 175.50 176.37 3k4w n TRP 193 N 0.63 2.67 0.06 0.54 7.02 -0.54 -4.72 117.44 123.10 3k4w n TRP 193 Ca 0.17 -2.84 -0.20 0.00 -1.02 0.00 0.00 57.50 53.61 3k4w n TRP 193 Cb 0.41 -1.93 -0.10 0.00 -2.42 0.00 0.00 31.31 27.27 3k4w n TRP 193 CO 0.00 0.00 0.00 0.28 -2.02 0.00 0.00 177.69 175.95 3k4w h VAL 194 N 2.91 1.30 -0.60 -0.99 2.07 -1.91 -1.58 116.25 117.46 3k4w h VAL 194 Ca 0.65 -2.35 0.10 0.00 0.82 0.00 0.00 66.70 65.92 3k4w h VAL 194 Cb 0.38 2.48 -0.07 0.00 -1.52 0.00 0.00 31.29 32.55 3k4w h VAL 194 CO 1.55 0.72 0.20 1.56 0.02 0.00 0.00 177.57 181.62 3k4w h GLN 195 N 0.33 0.36 -0.04 1.57 4.20 -1.95 -1.89 115.11 117.69 3k4w h GLN 195 Ca -0.14 -0.02 -0.00 0.00 0.06 0.00 0.00 58.65 58.55 3k4w h GLN 195 Cb 1.74 -0.08 -0.00 0.00 0.30 0.00 0.00 27.48 29.44 3k4w h GLN 195 CO 0.21 0.24 0.00 0.93 -0.67 0.00 0.00 178.83 179.54 3k4w h GLU 196 N 0.37 0.06 0.00 1.46 3.07 -1.94 -3.19 114.58 114.41 3k4w h GLU 196 Ca 0.30 -0.02 -0.04 0.00 -0.50 0.00 0.00 59.36 59.11 3k4w h GLU 196 Cb 0.39 -0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 28.29 3k4w h GLU 196 CO -0.32 0.32 -0.19 0.97 -1.40 0.00 0.00 179.01 178.39 3k4w h ILE 197 N -0.20 0.53 -0.92 3.13 6.09 -1.07 -0.98 117.51 124.10 3k4w h ILE 197 Ca 0.01 -0.92 -0.01 0.00 -1.37 0.00 0.00 64.86 62.57 3k4w h ILE 197 Cb 0.29 1.62 -0.04 0.00 0.47 0.00 0.00 36.82 39.16 3k4w h ILE 197 CO 0.00 0.18 0.54 0.40 -3.07 0.00 0.00 178.15 176.20 3k4w h ILE 198 N 0.00 1.26 -0.52 2.19 1.08 -1.38 -0.25 117.51 119.88 3k4w h ILE 198 Ca -0.00 -0.58 -0.03 0.00 -0.39 0.00 0.00 64.86 63.86 3k4w h ILE 198 Cb 0.61 -0.03 -0.02 0.00 -3.07 0.00 0.00 36.82 34.31 3k4w h ILE 198 CO 0.02 0.27 0.21 -0.74 -0.69 0.00 0.00 178.15 177.23 3k4w h HIS 199 N 1.27 0.80 0.05 1.37 -0.00 -1.20 0.14 115.15 117.57 3k4w h HIS 199 Ca 0.33 -0.06 -0.00 0.00 -0.00 0.00 0.00 60.37 60.64 3k4w h HIS 199 Cb -0.03 -0.24 0.00 0.00 -0.00 0.00 0.00 27.41 27.14 3k4w h HIS 199 CO 0.01 0.66 -0.02 0.28 -0.00 0.00 0.00 177.93 178.85 3k4w h VAL 200 N 0.71 1.00 -0.77 5.26 2.07 -1.11 0.12 116.25 123.52 3k4w h VAL 200 Ca 0.17 -0.17 0.09 0.00 0.82 0.00 0.00 66.70 67.62 3k4w h VAL 200 Cb 0.19 1.11 -0.07 0.00 -1.52 0.00 0.00 31.29 31.01 3k4w h VAL 200 CO -0.01 0.04 0.43 0.00 0.02 0.00 0.00 177.57 178.05 3k4w h ALA 201 N 0.81 1.09 -0.38 1.67 0.00 -0.90 0.42 119.26 121.97 3k4w h ALA 201 Ca -0.01 0.03 0.05 0.00 0.00 0.00 0.00 54.91 54.99 3k4w h ALA 201 Cb 0.12 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 17.75 3k4w h ALA 201 CO 0.01 0.06 0.12 0.35 0.00 0.00 0.00 179.25 179.79 3k4w h PHE 202 N 0.73 0.20 0.04 0.00 3.57 -0.22 -3.19 116.94 118.07 3k4w h PHE 202 Ca 0.37 0.02 -0.24 0.00 3.53 0.00 0.00 57.97 61.65 3k4w h PHE 202 Cb 0.34 -0.03 0.01 0.00 2.79 0.00 0.00 35.95 39.05 3k4w h PHE 202 CO -0.07 0.07 -1.03 -0.09 -2.23 0.00 0.00 178.31 174.96 3k4w h ARG 203 N 0.26 0.41 -4.39 1.11 2.43 -0.08 -3.43 114.38 110.69 3k4w h ARG 203 Ca 0.18 -0.49 -0.72 0.00 -0.81 0.00 0.00 59.98 58.14 3k4w h ARG 203 Cb 0.18 0.15 -0.27 0.00 -0.42 0.00 0.00 29.97 29.61 3k4w h ARG 203 CO -0.20 1.16 -0.42 1.03 -1.51 0.00 0.00 179.97 180.02 3k4w s ARG 204 N -3.13 2.66 0.00 0.20 1.81 0.14 -4.96 118.95 115.68 3k4w s ARG 204 Ca -0.06 -1.49 0.22 0.00 -1.72 0.00 0.00 55.73 52.68 3k4w s ARG 204 Cb 0.08 -3.88 1.00 0.00 -0.45 0.00 0.00 34.95 31.70 3k4w s ARG 204 CO 0.88 -1.01 1.71 -0.35 -0.68 0.00 0.00 175.30 175.84 3k4w n PRO 205 N 4.98 0.11 -0.61 3.54 -0.04 -1.26 -2.62 135.00 139.10 3k4w n PRO 205 Ca -0.10 0.11 0.09 0.00 -0.04 0.00 0.00 63.50 63.56 3k4w n PRO 205 Cb 0.43 -1.50 0.35 0.00 -0.04 0.00 0.00 33.50 32.74 3k4w n PRO 205 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 3k4w n ASN 206 N -1.43 4.73 -4.70 3.54 3.02 -1.26 -4.94 115.26 114.22 3k4w n ASN 206 Ca 0.07 -2.48 -0.37 0.00 -0.03 0.00 0.00 54.58 51.77 3k4w n ASN 206 Cb 0.23 -0.57 -0.07 0.00 -0.61 0.00 0.00 39.78 38.76 3k4w n ASN 206 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 3k4w s LEU 207 N -1.90 4.21 -0.01 3.41 2.96 -1.08 -2.10 118.68 124.18 3k4w s LEU 207 Ca 0.50 0.57 0.01 0.00 -0.22 0.00 0.00 54.13 54.99 3k4w s LEU 207 Cb 0.33 -2.49 -0.04 0.00 0.50 0.00 0.00 46.19 44.49 3k4w s LEU 207 CO 0.24 0.01 -0.01 -0.31 -1.32 0.00 0.00 176.35 174.96 3k4w s TYR 208 N 0.84 3.06 -0.11 5.38 2.02 -0.37 -4.90 117.35 123.28 3k4w s TYR 208 Ca 0.19 0.08 -0.02 0.00 -0.37 0.00 0.00 57.07 56.95 3k4w s TYR 208 Cb -0.14 -1.68 -0.03 0.00 -0.40 0.00 0.00 41.96 39.71 3k4w s TYR 208 CO 0.07 0.45 -0.03 -0.51 -1.57 0.00 0.00 175.55 173.96 3k4w s LEU 209 N -1.46 3.35 -0.52 -1.29 1.43 0.17 -1.42 118.68 118.94 3k4w s LEU 209 Ca 0.19 0.00 0.04 0.00 -1.03 0.00 0.00 54.13 53.33 3k4w s LEU 209 Cb -0.11 -1.77 0.16 0.00 0.03 0.00 0.00 46.19 44.50 3k4w s LEU 209 CO 0.09 0.30 0.37 -0.55 0.23 0.00 0.00 176.35 176.79 3k4w s SER 210 N -0.41 3.14 0.47 2.29 0.15 -0.64 -0.67 113.70 118.04 3k4w s SER 210 Ca 0.07 -3.25 0.14 0.00 0.70 0.00 0.00 55.95 53.60 3k4w s SER 210 Cb -0.12 -0.99 1.08 0.00 -1.71 0.00 0.00 66.02 64.27 3k4w s SER 210 CO 0.02 -0.16 2.05 1.55 1.20 0.00 0.00 173.24 177.91 3k4w h PRO 211 N 5.79 0.07 0.00 5.44 0.13 -1.79 0.15 132.00 141.80 3k4w h PRO 211 Ca 0.16 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.29 3k4w h PRO 211 Cb 0.86 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.97 3k4w h PRO 211 CO 0.52 0.14 0.00 -0.40 -0.23 0.00 0.00 178.00 178.03 3k4w n ASP 212 N -4.42 0.00 0.14 1.44 5.68 -1.26 -1.70 116.55 116.42 3k4w n ASP 212 Ca -0.02 0.00 0.08 0.00 -0.50 0.00 0.00 54.79 54.35 3k4w n ASP 212 Cb 0.17 0.00 0.57 0.00 -1.14 0.00 0.00 41.12 40.72 3k4w n ASP 212 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3k4w h MET 213 N 0.00 0.19 0.00 0.11 -0.00 -1.75 -2.81 114.93 110.66 3k4w h MET 213 Ca 0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 59.70 59.69 3k4w h MET 213 Cb 0.00 -0.04 0.00 0.00 -0.00 0.00 0.00 31.60 31.56 3k4w h MET 213 CO 0.00 0.12 0.00 0.66 -0.00 0.00 0.00 176.91 177.69 3k4w n TYR 214 N -4.50 0.00 0.19 -0.10 4.01 -0.69 -2.09 117.16 113.98 3k4w n TYR 214 Ca 0.01 0.00 0.05 0.00 -0.16 0.00 0.00 57.90 57.80 3k4w n TYR 214 Cb 0.15 -0.14 0.48 0.00 -0.31 0.00 0.00 39.34 39.52 3k4w n TYR 214 CO 0.00 0.00 0.00 1.25 -0.46 0.00 0.00 176.86 177.65 3k4w h LEU 215 N 0.00 0.08 -8.54 7.72 5.85 -1.61 -3.41 115.31 115.40 3k4w h LEU 215 Ca 0.00 -0.01 -0.54 0.00 0.84 0.00 0.00 57.88 58.17 3k4w h LEU 215 Cb 0.11 -0.02 -0.06 0.00 0.37 0.00 0.00 40.66 41.06 3k4w h LEU 215 CO 0.00 0.22 1.10 -0.47 -0.34 0.00 0.00 178.44 178.95 3k4w s TYR 216 N -4.73 2.26 -1.50 1.25 5.04 -0.89 -4.20 117.35 114.58 3k4w s TYR 216 Ca -0.05 0.40 -0.05 0.00 -2.44 0.00 0.00 57.07 54.93 3k4w s TYR 216 Cb 0.16 -4.42 0.02 0.00 0.35 0.00 0.00 41.96 38.07 3k4w s TYR 216 CO 0.70 -1.99 0.54 -1.71 -1.34 0.00 0.00 175.55 171.76 3k4w n ASN 217 N 9.68 -5.55 -4.35 4.32 5.15 -1.26 -4.95 115.26 118.30 3k4w n ASN 217 Ca 0.11 -0.28 -0.18 0.00 -0.60 0.00 0.00 54.58 53.63 3k4w n ASN 217 Cb 0.49 -4.51 -0.10 0.00 -0.53 0.00 0.00 39.78 35.13 3k4w n ASN 217 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 3k4w s LEU 218 N -6.59 2.21 0.53 1.20 1.43 -1.26 -5.10 118.68 111.10 3k4w s LEU 218 Ca 0.30 -1.23 -0.20 0.00 -1.03 0.00 0.00 54.13 51.97 3k4w s LEU 218 Cb -0.14 -0.32 -0.08 0.00 0.03 0.00 0.00 46.19 45.67 3k4w s LEU 218 CO 0.38 -0.50 0.78 -2.65 0.23 0.00 0.00 176.35 174.59 3k4w n PRO 219 N -0.46 0.84 0.00 1.29 -0.02 -1.26 -2.39 135.00 132.99 3k4w n PRO 219 Ca -0.05 0.32 0.00 0.00 -2.02 0.00 0.00 63.50 61.75 3k4w n PRO 219 Cb 0.64 -1.91 0.00 0.00 -0.02 0.00 0.00 33.50 32.21 3k4w n PRO 219 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3k4w n GLY 220 N 1.48 2.63 0.21 -1.23 0.00 -1.26 -4.91 105.19 102.12 3k4w n GLY 220 Ca 0.12 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.07 3k4w n GLY 220 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 3k4w h HIS 221 N 0.00 -0.39 -0.38 1.61 6.17 -1.76 -1.24 115.15 119.16 3k4w h HIS 221 Ca 0.00 0.03 -0.07 0.00 0.71 0.00 0.00 60.37 61.04 3k4w h HIS 221 Cb 0.00 0.22 -0.02 0.00 2.52 0.00 0.00 27.41 30.13 3k4w h HIS 221 CO 0.00 -0.23 -0.06 0.00 0.71 0.00 0.00 177.93 178.34 3k4w h ALA 222 N 1.09 1.19 -0.38 5.26 0.00 -1.91 -2.18 119.26 122.34 3k4w h ALA 222 Ca 0.15 -0.26 0.05 0.00 0.00 0.00 0.00 54.91 54.85 3k4w h ALA 222 Cb 0.36 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 17.94 3k4w h ALA 222 CO -0.37 0.53 0.11 -0.44 0.00 0.00 0.00 179.25 179.07 3k4w h ASP 223 N 0.59 0.09 0.19 0.00 3.32 -1.87 -1.30 116.42 117.44 3k4w h ASP 223 Ca 0.11 0.05 -0.01 0.00 0.02 0.00 0.00 57.03 57.20 3k4w h ASP 223 Cb 0.47 0.05 0.00 0.00 0.22 0.00 0.00 39.33 40.07 3k4w h ASP 223 CO 0.02 0.09 -0.09 -0.26 -1.72 0.00 0.00 179.24 177.28 3k4w h PHE 224 N 0.25 -0.24 -0.49 4.55 0.04 -0.62 -2.35 116.94 118.08 3k4w h PHE 224 Ca 0.18 -0.01 0.08 0.00 2.80 0.00 0.00 57.97 61.02 3k4w h PHE 224 Cb 0.18 0.08 -0.06 0.00 2.20 0.00 0.00 35.95 38.34 3k4w h PHE 224 CO -0.17 -0.09 0.13 0.82 -0.60 0.00 0.00 178.31 178.40 3k4w h ILE 225 N -0.34 0.76 -0.26 -0.55 1.08 -1.45 0.36 117.51 117.12 3k4w h ILE 225 Ca -0.03 -0.09 -0.01 0.00 -0.39 0.00 0.00 64.86 64.34 3k4w h ILE 225 Cb 0.26 0.46 -0.01 0.00 -3.07 0.00 0.00 36.82 34.46 3k4w h ILE 225 CO 0.04 0.05 0.13 -0.61 -0.69 0.00 0.00 178.15 177.08 3k4w h GLN 226 N 0.28 0.36 -0.58 2.37 4.15 -1.24 -1.18 115.11 119.27 3k4w h GLN 226 Ca 0.24 -0.05 0.06 0.00 0.77 0.00 0.00 58.65 59.68 3k4w h GLN 226 Cb 0.30 -0.07 -0.05 0.00 0.21 0.00 0.00 27.48 27.87 3k4w h GLN 226 CO -0.29 0.34 0.28 0.00 -1.93 0.00 0.00 178.83 177.23 3k4w h ALA 227 N 1.00 0.75 -0.95 3.38 0.00 -1.12 -1.86 119.26 120.46 3k4w h ALA 227 Ca 0.09 0.03 0.18 0.00 0.00 0.00 0.00 54.91 55.21 3k4w h ALA 227 Cb 0.09 -0.06 -0.08 0.00 0.00 0.00 0.00 17.79 17.73 3k4w h ALA 227 CO -0.01 -0.07 0.61 0.00 0.00 0.00 0.00 179.25 179.77 3k4w h ALA 228 N 1.33 1.87 -0.00 0.00 0.00 0.08 0.31 119.26 122.84 3k4w h ALA 228 Ca 0.26 0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.21 3k4w h ALA 228 Cb 0.20 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.91 3k4w h ALA 228 CO -0.19 -0.18 -0.16 0.09 0.00 0.00 0.00 179.25 178.81 3k4w n ASN 229 N -4.63 0.65 0.00 0.00 3.02 -0.48 -3.31 115.26 110.51 3k4w n ASN 229 Ca 0.21 -0.67 0.00 0.00 -0.03 0.00 0.00 54.58 54.09 3k4w n ASN 229 Cb 0.58 -0.01 0.00 0.00 -0.61 0.00 0.00 39.78 39.74 3k4w n ASN 229 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 3k4w n SER 230 N -0.86 0.00 -0.16 6.41 3.41 -0.01 -4.95 113.62 117.47 3k4w n SER 230 Ca 0.14 0.00 0.25 0.00 -0.26 0.00 0.00 58.87 58.99 3k4w n SER 230 Cb 0.30 0.00 0.67 0.00 -0.26 0.00 0.00 64.21 64.92 3k4w n SER 230 CO 0.00 0.00 0.00 2.19 -0.16 0.00 0.00 175.04 177.07 3k4w h PHE 231 N 0.00 0.13 -0.34 7.33 -5.15 -1.87 -2.86 116.94 114.19 3k4w h PHE 231 Ca 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.77 3k4w h PHE 231 Cb 0.00 -0.04 0.00 0.00 0.22 0.00 0.00 35.95 36.13 3k4w h PHE 231 CO 0.00 0.03 0.00 -0.11 -2.00 0.00 0.00 178.31 176.23 3k4w n LEU 232 N -4.35 2.07 0.08 2.10 7.94 -0.56 -4.34 117.00 119.94 3k4w n LEU 232 Ca 0.17 -1.04 0.09 0.00 -1.11 0.00 0.00 56.01 54.12 3k4w n LEU 232 Cb 0.83 -0.29 0.55 0.00 0.53 0.00 0.00 43.42 45.03 3k4w n LEU 232 CO 0.37 0.46 1.14 0.00 -1.11 0.00 0.00 177.39 178.24 3k4w h ALA 233 N 3.53 1.96 -0.11 1.96 0.00 -1.50 -0.48 119.26 124.63 3k4w h ALA 233 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3k4w h ALA 233 Cb 0.58 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.30 3k4w h ALA 233 CO 0.03 -0.01 0.00 -0.25 0.00 0.00 0.00 179.25 179.03 3k4w n ASP 234 N -4.49 1.21 -0.06 0.00 8.00 -1.26 -4.35 116.55 115.60 3k4w n ASP 234 Ca 0.03 -1.60 0.00 0.00 0.71 0.00 0.00 54.79 53.94 3k4w n ASP 234 Cb 0.19 -0.07 0.01 0.00 -0.02 0.00 0.00 41.12 41.23 3k4w n ASP 234 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3k4w n ARG 235 N 0.01 0.68 -4.14 -1.24 1.74 -0.20 -4.84 116.66 108.66 3k4w n ARG 235 Ca 0.16 -0.85 -0.36 0.00 -0.77 0.00 0.00 57.85 56.03 3k4w n ARG 235 Cb 0.26 -0.64 -0.08 0.00 -1.02 0.00 0.00 32.46 30.98 3k4w n ARG 235 CO 0.00 0.00 0.00 1.41 -1.52 0.00 0.00 177.63 177.52 3k4w s MET 236 N -0.32 3.25 -0.13 5.56 1.75 -1.12 0.43 119.30 128.71 3k4w s MET 236 Ca 0.01 -0.29 0.01 0.00 -1.25 0.00 0.00 55.69 54.17 3k4w s MET 236 Cb 0.01 -2.99 0.02 0.00 2.84 0.00 0.00 34.83 34.71 3k4w s MET 236 CO 0.00 0.70 -0.14 -0.51 -0.65 0.00 0.00 175.02 174.42 3k4w s LEU 237 N -0.84 1.65 0.43 4.11 1.43 0.16 -4.26 118.68 121.36 3k4w s LEU 237 Ca 0.13 -0.45 -0.25 0.00 -1.03 0.00 0.00 54.13 52.52 3k4w s LEU 237 Cb -0.12 -1.12 -0.08 0.00 0.03 0.00 0.00 46.19 44.90 3k4w s LEU 237 CO 0.03 -0.04 1.32 0.12 0.23 0.00 0.00 176.35 178.00 3k4w s PHE 238 N 1.35 2.73 -0.14 0.29 5.36 -0.49 -4.48 117.98 122.59 3k4w s PHE 238 Ca 0.01 1.39 -0.30 0.00 -0.96 0.00 0.00 56.93 57.08 3k4w s PHE 238 Cb -0.13 -3.70 0.12 0.00 -0.34 0.00 0.00 43.02 38.97 3k4w s PHE 238 CO -0.08 -2.23 0.99 0.20 -1.46 0.00 0.00 175.22 172.64 3k4w s GLY 239 N -0.76 -0.29 -0.08 13.12 0.00 -1.26 -0.67 107.32 117.38 3k4w s GLY 239 Ca 0.59 1.91 0.12 0.00 0.00 0.00 0.00 44.72 47.34 3k4w s GLY 239 CO 0.49 0.94 0.14 -1.30 0.00 0.00 0.00 173.10 173.37 3k4w n THR 240 N 0.61 0.53 -1.24 0.90 -2.24 -1.26 -4.19 114.28 107.39 3k4w n THR 240 Ca -0.10 -0.44 -0.08 0.00 -2.27 0.00 0.00 64.05 61.16 3k4w n THR 240 Cb 0.58 -0.35 -0.04 0.00 -2.10 0.00 0.00 70.33 68.43 3k4w n THR 240 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3k4w n ALA 241 N -2.27 -0.13 -1.36 6.98 0.00 -0.40 -3.97 120.51 119.36 3k4w n ALA 241 Ca -0.14 0.13 -0.53 0.00 0.00 0.00 0.00 53.44 52.90 3k4w n ALA 241 Cb 0.70 -1.29 -0.07 0.00 0.00 0.00 0.00 19.45 18.78 3k4w n ALA 241 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 3k4w n TYR 242 N -2.51 0.68 1.79 0.00 9.36 -1.18 0.19 117.16 125.49 3k4w n TYR 242 Ca -0.08 0.95 0.13 0.00 3.32 0.00 0.00 57.90 62.22 3k4w n TYR 242 Cb 0.39 -1.87 0.69 0.00 -0.63 0.00 0.00 39.34 37.93 3k4w n TYR 242 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 3k4w n PRO 243 N 1.59 1.24 -0.10 2.98 -0.04 -1.26 -0.36 135.00 139.04 3k4w n PRO 243 Ca 0.19 -0.35 0.01 0.00 -0.04 0.00 0.00 63.50 63.31 3k4w n PRO 243 Cb 0.06 -1.44 0.31 0.00 -0.04 0.00 0.00 33.50 32.39 3k4w n PRO 243 CO 0.00 0.00 0.00 0.52 -0.04 0.00 0.00 175.50 175.98 3k4w h MET 244 N 0.81 0.75 -5.01 0.54 2.86 -0.56 -3.42 114.93 110.89 3k4w h MET 244 Ca 0.00 -0.07 -0.50 0.00 -2.06 0.00 0.00 59.70 57.07 3k4w h MET 244 Cb 0.17 -0.16 -0.31 0.00 0.06 0.00 0.00 31.60 31.37 3k4w h MET 244 CO 0.00 0.54 -0.81 0.00 1.06 0.00 0.00 176.91 177.70 3k4w s PRO 246 N 0.06 3.35 0.01 0.00 0.04 -1.26 -3.82 135.00 133.38 3k4w s PRO 246 Ca -0.02 1.67 -0.22 0.00 0.04 0.00 0.00 61.00 62.47 3k4w s PRO 246 Cb -0.10 -2.05 -0.17 0.00 0.04 0.00 0.00 34.50 32.22 3k4w s PRO 246 CO 0.01 -0.86 1.27 -0.07 0.04 0.00 0.00 177.00 177.39 3k4w h LEU 247 N 1.27 0.27 0.63 -3.56 3.38 -1.96 -2.85 115.31 112.49 3k4w h LEU 247 Ca -0.50 -0.53 -0.03 0.00 0.09 0.00 0.00 57.88 56.91 3k4w h LEU 247 Cb 1.27 -0.08 0.01 0.00 0.09 0.00 0.00 40.66 41.95 3k4w h LEU 247 CO 0.57 0.75 -0.30 0.50 0.09 0.00 0.00 178.44 180.05 3k4w h LYS 248 N -0.20 -0.82 -0.18 1.13 3.64 -1.92 -2.51 116.57 115.71 3k4w h LYS 248 Ca 0.01 0.06 -0.09 0.00 -1.27 0.00 0.00 60.65 59.35 3k4w h LYS 248 Cb 0.69 0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 32.68 3k4w h LYS 248 CO 0.03 -0.52 -0.29 0.93 -2.27 0.00 0.00 179.45 177.33 3k4w h GLU 249 N -0.91 0.34 -0.06 1.90 3.07 -1.98 -1.45 114.58 115.49 3k4w h GLU 249 Ca -0.09 -0.13 -0.20 0.00 -0.50 0.00 0.00 59.36 58.45 3k4w h GLU 249 Cb 0.67 -0.02 0.01 0.00 -0.84 0.00 0.00 28.75 28.57 3k4w h GLU 249 CO 0.14 0.60 -0.74 -0.92 -1.40 0.00 0.00 179.01 176.70 3k4w h TYR 250 N 0.30 0.86 -0.56 4.33 3.20 -1.54 -2.79 116.97 120.75 3k4w h TYR 250 Ca 0.04 -0.42 -0.07 0.00 3.14 0.00 0.00 58.73 61.42 3k4w h TYR 250 Cb 0.66 -0.11 -0.02 0.00 1.54 0.00 0.00 36.73 38.80 3k4w h TYR 250 CO 0.02 1.24 0.08 1.15 -1.64 0.00 0.00 178.16 179.01 3k4w h THR 251 N 0.23 1.26 -0.21 1.81 2.02 -1.38 0.18 112.91 116.82 3k4w h THR 251 Ca -0.07 -0.99 -0.01 0.00 0.77 0.00 0.00 66.41 66.11 3k4w h THR 251 Cb 1.40 0.80 -0.01 0.00 -1.74 0.00 0.00 68.15 68.60 3k4w h THR 251 CO 0.15 0.36 0.09 -0.08 0.37 0.00 0.00 175.52 176.41 3k4w h GLU 252 N 0.83 0.31 -0.41 6.66 4.81 -1.33 -1.19 114.58 124.26 3k4w h GLU 252 Ca 0.17 -0.05 0.04 0.00 -0.13 0.00 0.00 59.36 59.39 3k4w h GLU 252 Cb 0.43 -0.05 -0.04 0.00 0.63 0.00 0.00 28.75 29.71 3k4w h GLU 252 CO 0.01 0.35 0.16 2.35 -0.73 0.00 0.00 179.01 181.16 3k4w h TRP 253 N 0.19 0.30 -0.98 0.92 7.01 -1.37 -2.96 115.95 119.06 3k4w h TRP 253 Ca 0.07 0.02 0.04 0.00 2.11 0.00 0.00 58.89 61.13 3k4w h TRP 253 Cb 0.16 -0.07 -0.06 0.00 -2.10 0.00 0.00 29.16 27.09 3k4w h TRP 253 CO -0.02 0.13 0.64 0.35 -2.79 0.00 0.00 178.44 176.75 3k4w h PHE 254 N 0.34 1.19 0.00 2.65 3.57 -0.17 -2.09 116.94 122.43 3k4w h PHE 254 Ca 0.19 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.72 3k4w h PHE 254 Cb 0.15 -0.39 0.00 0.00 2.79 0.00 0.00 35.95 38.49 3k4w h PHE 254 CO -0.13 0.67 0.00 1.28 -2.23 0.00 0.00 178.31 177.90 3k4w n LEU 255 N -4.45 0.08 -0.30 0.59 4.77 -0.49 -1.16 117.00 116.03 3k4w n LEU 255 Ca 0.14 0.51 0.13 0.00 -0.03 0.00 0.00 56.01 56.76 3k4w n LEU 255 Cb 0.12 -0.50 0.38 0.00 -2.33 0.00 0.00 43.42 41.10 3k4w n LEU 255 CO 0.34 -0.18 0.67 0.35 -1.33 0.00 0.00 177.39 177.25 3k4w n THR 256 N -1.58 0.00 -2.44 -5.08 -2.24 -0.79 -4.97 114.28 97.18 3k4w n THR 256 Ca 0.05 -0.16 -0.36 0.00 -2.27 0.00 0.00 64.05 61.31 3k4w n THR 256 Cb 0.25 0.46 -0.03 0.00 -2.10 0.00 0.00 70.33 68.91 3k4w n THR 256 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3k4w s LEU 257 N -2.41 3.98 -1.32 3.22 1.43 -0.31 -4.91 118.68 118.36 3k4w s LEU 257 Ca 0.26 2.09 -0.15 0.00 -1.03 0.00 0.00 54.13 55.30 3k4w s LEU 257 Cb 0.19 -4.36 -0.01 0.00 0.03 0.00 0.00 46.19 42.05 3k4w s LEU 257 CO 0.49 -0.77 2.21 -0.81 0.23 0.00 0.00 176.35 177.70 3k4w n PRO 258 N -0.58 2.61 -4.67 1.29 -0.04 -1.26 -4.87 135.00 127.48 3k4w n PRO 258 Ca 0.08 -2.39 -0.33 0.00 -0.04 0.00 0.00 63.50 60.81 3k4w n PRO 258 Cb 0.50 -3.16 -0.14 0.00 -0.04 0.00 0.00 33.50 30.66 3k4w n PRO 258 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 3k4w s ILE 259 N 3.51 3.30 0.64 0.52 1.01 -1.26 -4.97 121.20 123.94 3k4w s ILE 259 Ca 0.51 -0.57 -0.17 0.00 0.00 0.00 0.00 60.65 60.41 3k4w s ILE 259 Cb 0.14 -2.40 -0.04 0.00 0.01 0.00 0.00 42.46 40.17 3k4w s ILE 259 CO -0.04 0.52 0.85 2.29 0.00 0.00 0.00 174.94 178.55 3k4w n LYS 260 N 3.52 0.68 -0.14 2.79 2.85 -1.26 -4.62 118.16 121.98 3k4w n LYS 260 Ca -0.18 0.28 -0.03 0.00 -1.05 0.00 0.00 58.31 57.32 3k4w n LYS 260 Cb 0.53 -2.07 0.04 0.00 -0.65 0.00 0.00 35.03 32.88 3k4w n LYS 260 CO 0.00 0.00 0.00 -1.35 -0.05 0.00 0.00 177.40 176.00 3k4w h PRO 261 N 0.19 0.11 -0.81 -1.58 0.11 -1.99 0.02 132.00 128.04 3k4w h PRO 261 Ca -0.48 -0.01 0.05 0.00 0.11 0.00 0.00 66.00 65.67 3k4w h PRO 261 Cb 1.36 -0.02 -0.05 0.00 0.11 0.00 0.00 31.00 32.40 3k4w h PRO 261 CO 0.48 0.07 0.51 0.38 -0.21 0.00 0.00 178.00 179.23 3k4w h ASP 262 N 0.11 0.82 0.09 -2.05 2.03 -2.01 -1.78 116.42 113.62 3k4w h ASP 262 Ca 0.22 0.01 -0.10 0.00 -0.73 0.00 0.00 57.03 56.43 3k4w h ASP 262 Cb 0.33 -0.17 -0.01 0.00 -0.83 0.00 0.00 39.33 38.65 3k4w h ASP 262 CO -0.37 0.55 -0.33 0.00 -1.03 0.00 0.00 179.24 178.06 3k4w h ALA 263 N 1.36 1.12 -0.60 4.15 0.00 -1.80 -3.07 119.26 120.42 3k4w h ALA 263 Ca 0.34 -0.37 -0.09 0.00 0.00 0.00 0.00 54.91 54.79 3k4w h ALA 263 Cb 0.09 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 3k4w h ALA 263 CO -0.14 0.56 0.04 1.98 0.00 0.00 0.00 179.25 181.68 3k4w h MET 264 N 0.31 1.03 -0.30 0.00 -1.53 -0.17 -1.25 114.93 113.01 3k4w h MET 264 Ca 0.04 -0.30 -0.01 0.00 -3.44 0.00 0.00 59.70 55.99 3k4w h MET 264 Cb 0.73 -0.11 -0.01 0.00 -0.55 0.00 0.00 31.60 31.66 3k4w h MET 264 CO 0.06 0.98 0.15 0.93 0.14 0.00 0.00 176.91 179.17 3k4w h GLU 265 N 0.95 0.43 -0.38 0.39 5.08 -1.33 -1.02 114.58 118.70 3k4w h GLU 265 Ca 0.18 -0.06 -0.05 0.00 -1.00 0.00 0.00 59.36 58.42 3k4w h GLU 265 Cb 0.50 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.66 3k4w h GLU 265 CO 0.02 0.40 0.03 0.87 -1.00 0.00 0.00 179.01 179.34 3k4w h LYS 266 N 0.36 0.64 -0.27 2.33 1.57 -1.47 -1.49 116.57 118.24 3k4w h LYS 266 Ca 0.10 -0.19 -0.11 0.00 -1.87 0.00 0.00 60.65 58.59 3k4w h LYS 266 Cb 0.11 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.34 3k4w h LYS 266 CO -0.01 0.73 -0.28 0.82 -0.57 0.00 0.00 179.45 180.13 3k4w h ILE 267 N 0.47 1.27 -0.31 1.86 2.04 -1.18 0.37 117.51 122.04 3k4w h ILE 267 Ca 0.11 -1.35 -0.08 0.00 1.00 0.00 0.00 64.86 64.55 3k4w h ILE 267 Cb 0.41 1.37 -0.01 0.00 -0.74 0.00 0.00 36.82 37.86 3k4w h ILE 267 CO 0.01 0.43 -0.11 -0.07 0.00 0.00 0.00 178.15 178.42 3k4w h LEU 268 N 0.47 0.62 0.00 1.44 3.38 -1.11 -1.30 115.31 118.81 3k4w h LEU 268 Ca 0.06 -0.38 0.00 0.00 0.09 0.00 0.00 57.88 57.65 3k4w h LEU 268 Cb 0.73 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.31 3k4w h LEU 268 CO 0.06 0.87 0.00 0.00 0.09 0.00 0.00 178.44 179.45 3k4w n HIS 269 N -4.44 0.00 -0.24 1.13 1.44 -0.64 -1.18 115.22 111.29 3k4w n HIS 269 Ca -0.03 0.00 -0.06 0.00 -2.01 0.00 0.00 57.72 55.62 3k4w n HIS 269 Cb 0.35 0.00 0.04 0.00 0.12 0.00 0.00 29.99 30.50 3k4w n HIS 269 CO 0.00 0.00 0.00 0.78 -2.81 0.00 0.00 176.34 174.31 3k4w h GLY 270 N 0.00 0.99 0.76 -1.39 0.00 -0.83 0.02 103.07 102.62 3k4w h GLY 270 Ca 0.00 -0.46 -0.04 0.00 0.00 0.00 0.00 47.33 46.83 3k4w h GLY 270 CO 0.00 0.44 -0.04 3.43 0.00 0.00 0.00 176.54 180.37 3k4w h ASN 271 N 0.91 0.30 -0.76 0.19 2.35 -0.55 -2.27 115.58 115.74 3k4w h ASN 271 Ca 0.23 -0.37 0.10 0.00 -0.55 0.00 0.00 56.30 55.71 3k4w h ASN 271 Cb 0.06 -0.08 -0.08 0.00 0.05 0.00 0.00 38.32 38.27 3k4w h ASN 271 CO -0.04 0.61 0.40 0.00 -1.65 0.00 0.00 177.43 176.75 3k4w h ALA 272 N 0.70 1.08 -0.55 -0.83 0.00 -1.67 -2.49 119.26 115.50 3k4w h ALA 272 Ca 0.04 0.06 -0.08 0.00 0.00 0.00 0.00 54.91 54.92 3k4w h ALA 272 Cb 0.48 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 3k4w h ALA 272 CO 0.02 -0.02 0.02 0.93 0.00 0.00 0.00 179.25 180.19 3k4w h GLU 273 N 0.65 0.94 -0.79 0.00 5.08 -0.86 -1.42 114.58 118.18 3k4w h GLU 273 Ca 0.38 -0.27 0.01 0.00 -1.00 0.00 0.00 59.36 58.48 3k4w h GLU 273 Cb 0.42 -0.10 -0.04 0.00 0.50 0.00 0.00 28.75 29.53 3k4w h GLU 273 CO -0.28 0.92 0.51 -0.09 -1.00 0.00 0.00 179.01 179.07 3k4w h ARG 274 N 0.87 1.04 -0.18 2.33 2.43 -0.99 -0.56 114.38 119.32 3k4w h ARG 274 Ca 0.16 -0.07 -0.19 0.00 -0.81 0.00 0.00 59.98 59.07 3k4w h ARG 274 Cb 0.49 -0.23 0.00 0.00 -0.42 0.00 0.00 29.97 29.81 3k4w h ARG 274 CO 0.02 0.70 -0.66 -0.07 -1.51 0.00 0.00 179.97 178.45 3k4w h LEU 275 N 1.07 0.78 -0.56 3.80 3.38 -0.98 -1.77 115.31 121.04 3k4w h LEU 275 Ca 0.29 -0.47 -0.04 0.00 0.09 0.00 0.00 57.88 57.75 3k4w h LEU 275 Cb -0.11 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.39 3k4w h LEU 275 CO -0.06 1.24 0.20 -0.07 0.09 0.00 0.00 178.44 179.84 3k4w h LEU 276 N 0.49 0.79 -0.44 1.67 3.38 -1.21 -0.29 115.31 119.71 3k4w h LEU 276 Ca -0.02 -0.19 -0.05 0.00 0.09 0.00 0.00 57.88 57.72 3k4w h LEU 276 Cb 1.25 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.78 3k4w h LEU 276 CO 0.13 0.77 0.10 0.00 0.09 0.00 0.00 178.44 179.53 3k4w h ALA 277 N 1.06 0.58 -0.50 1.53 0.00 -1.03 0.35 119.26 121.25 3k4w h ALA 277 Ca 0.18 -0.21 0.02 0.00 0.00 0.00 0.00 54.91 54.90 3k4w h ALA 277 Cb 0.24 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 3k4w h ALA 277 CO -0.01 0.28 0.31 0.37 0.00 0.00 0.00 179.25 180.20 3k4w h GLN 278 N 0.58 0.61 -1.00 0.00 4.15 -1.21 -2.47 115.11 115.77 3k4w h GLN 278 Ca 0.14 -0.04 0.05 0.00 0.77 0.00 0.00 58.65 59.57 3k4w h GLN 278 Cb 0.34 -0.14 -0.06 0.00 0.21 0.00 0.00 27.48 27.83 3k4w h GLN 278 CO 0.00 0.41 0.65 0.00 -1.93 0.00 0.00 178.83 177.96 3k4w h ALA 279 N 1.21 1.37 0.00 3.38 0.00 -0.54 0.12 119.26 124.80 3k4w h ALA 279 Ca 0.19 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.07 3k4w h ALA 279 Cb -0.02 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 17.43 3k4w h ALA 279 CO -0.07 0.51 0.00 0.41 0.00 0.00 0.00 179.25 180.10 3k4w n GLY 280 N -1.37 -0.55 2.69 0.00 0.00 0.07 -4.86 105.19 101.18 3k4w n GLY 280 Ca 0.14 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.12 3k4w n GLY 280 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19