#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3k4w s LYS 2 N 0.00 4.40 -0.02 1.96 2.20 -1.26 -4.77 119.74 122.26 3k4w s LYS 2 Ca 0.00 1.02 0.02 0.00 -0.36 0.00 0.00 55.97 56.65 3k4w s LYS 2 Cb 0.00 -3.02 0.00 0.00 -1.51 0.00 0.00 37.83 33.30 3k4w s LYS 2 CO 0.00 0.45 -0.07 0.42 -0.36 0.00 0.00 175.35 175.80 3k4w s ILE 3 N -1.38 0.58 -0.25 5.43 1.01 -1.04 -4.42 121.20 121.12 3k4w s ILE 3 Ca 0.41 -0.25 -0.02 0.00 0.00 0.00 0.00 60.65 60.79 3k4w s ILE 3 Cb -0.19 -0.53 0.03 0.00 0.01 0.00 0.00 42.46 41.77 3k4w s ILE 3 CO 0.23 0.19 -0.05 -0.63 0.00 0.00 0.00 174.94 174.68 3k4w s ILE 4 N 0.22 2.92 -0.29 2.92 1.01 -0.36 -0.45 121.20 127.17 3k4w s ILE 4 Ca -0.03 -1.01 -0.23 0.00 0.00 0.00 0.00 60.65 59.39 3k4w s ILE 4 Cb -0.07 -2.49 -0.01 0.00 0.01 0.00 0.00 42.46 39.91 3k4w s ILE 4 CO -0.00 0.19 0.74 -0.62 0.00 0.00 0.00 174.94 175.25 3k4w s ASP 5 N 1.33 6.65 0.00 3.58 -1.08 -0.22 -4.59 116.67 122.34 3k4w s ASP 5 Ca 0.00 0.69 0.30 0.00 -0.52 0.00 0.00 52.55 53.02 3k4w s ASP 5 Cb -0.17 -2.39 1.55 0.00 -1.46 0.00 0.00 42.92 40.46 3k4w s ASP 5 CO -0.04 -0.54 2.04 0.33 0.52 0.00 0.00 175.17 177.49 3k4w n PHE 6 N 6.04 0.00 -3.36 -5.34 7.35 -0.36 0.44 117.46 122.23 3k4w n PHE 6 Ca 0.02 0.00 -0.14 0.00 -0.76 0.00 0.00 57.45 56.57 3k4w n PHE 6 Cb 0.48 -0.13 -0.08 0.00 0.35 0.00 0.00 39.48 40.11 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 -2.28 0.43 -0.11 -4.13 3.52 -1.25 -4.61 118.95 110.52 3k4w s ARG 7 Ca 0.37 -0.22 -0.03 0.00 -0.13 0.00 0.00 55.73 55.72 3k4w s ARG 7 Cb 0.21 -0.55 0.04 0.00 -1.56 0.00 0.00 34.95 33.09 3k4w s ARG 7 CO 0.42 -1.07 0.06 -1.17 -0.81 0.00 0.00 175.30 172.73 3k4w s LEU 8 N 2.20 0.40 -0.44 -0.88 0.20 -0.78 -1.00 118.68 118.39 3k4w s LEU 8 Ca 0.11 -0.28 -0.09 0.00 0.69 0.00 0.00 54.13 54.56 3k4w s LEU 8 Cb -0.14 -0.28 0.09 0.00 -0.43 0.00 0.00 46.19 45.44 3k4w s LEU 8 CO -0.25 -0.28 0.29 -0.13 -0.29 0.00 0.00 176.35 175.69 3k4w s ARG 9 N 2.09 2.55 0.61 1.98 3.00 0.42 -4.03 118.95 125.58 3k4w s ARG 9 Ca 0.03 -1.58 -0.15 0.00 0.00 0.00 0.00 55.73 54.03 3k4w s ARG 9 Cb -0.14 -3.83 -0.03 0.00 0.00 0.00 0.00 34.95 30.95 3k4w s ARG 9 CO -0.06 -1.04 1.07 -1.25 0.00 0.00 0.00 175.30 174.01 3k4w s PRO 10 N 1.40 3.20 -1.40 3.54 0.04 -1.26 -4.09 135.00 136.42 3k4w s PRO 10 Ca 0.04 1.21 -0.15 0.00 0.04 0.00 0.00 61.00 62.14 3k4w s PRO 10 Cb -0.24 -2.02 0.03 0.00 0.04 0.00 0.00 34.50 32.32 3k4w s PRO 10 CO 0.01 -0.91 2.14 -0.35 0.04 0.00 0.00 177.00 177.93 3k4w n PRO 11 N -2.19 2.82 -4.31 0.56 -0.04 -1.26 -4.62 135.00 125.96 3k4w n PRO 11 Ca 0.09 -2.66 -0.17 0.00 -0.04 0.00 0.00 63.50 60.72 3k4w n PRO 11 Cb 0.53 -3.30 -0.10 0.00 -0.04 0.00 0.00 33.50 30.58 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 3.49 1.76 0.14 0.55 0.00 -1.26 -4.38 121.76 122.06 3k4w s ALA 12 Ca 0.49 -1.70 -0.33 0.00 0.00 0.00 0.00 51.96 50.42 3k4w s ALA 12 Cb 0.12 0.33 -0.17 0.00 0.00 0.00 0.00 23.12 23.40 3k4w s ALA 12 CO -0.05 -0.19 0.87 -0.12 0.00 0.00 0.00 175.76 176.27 3k4w n MET 13 N -0.37 0.36 0.00 0.00 1.56 -1.26 -1.30 117.12 116.11 3k4w n MET 13 Ca -0.07 0.13 0.00 0.00 -0.27 0.00 0.00 57.70 57.49 3k4w n MET 13 Cb 0.63 -1.42 0.00 0.00 2.15 0.00 0.00 33.22 34.58 3k4w n MET 13 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 3k4w n GLY 14 N 1.81 1.79 0.38 -5.12 0.00 -1.26 -4.58 105.19 98.22 3k4w n GLY 14 Ca 0.17 -0.16 0.15 0.00 0.00 0.00 0.00 46.02 46.19 3k4w n GLY 14 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 3k4w h PHE 15 N 0.00 0.67 0.00 1.61 0.04 -1.49 0.39 116.94 118.16 3k4w h PHE 15 Ca 0.00 0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.79 3k4w h PHE 15 Cb 0.00 -0.21 0.00 0.00 2.20 0.00 0.00 35.95 37.94 3k4w h PHE 15 CO 0.00 0.21 0.00 -0.07 -0.60 0.00 0.00 178.31 177.85 3k4w h LEU 16 N 0.54 0.00 -0.16 1.54 3.38 -1.57 -2.34 115.31 116.71 3k4w h LEU 16 Ca 0.45 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.42 3k4w h LEU 16 Cb 0.94 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.69 3k4w h LEU 16 CO -0.19 0.00 -0.00 0.59 0.09 0.00 0.00 178.44 178.92 3k4w n ASN 17 N -2.64 0.24 -4.93 -0.43 3.02 0.13 -3.69 115.26 106.97 3k4w n ASN 17 Ca -0.01 -1.02 -0.26 0.00 -0.03 0.00 0.00 54.58 53.26 3k4w n ASN 17 Cb 0.10 -0.02 0.01 0.00 -0.61 0.00 0.00 39.78 39.27 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 -2.04 3.49 0.47 5.41 0.00 -0.88 -4.01 121.76 124.20 3k4w s ALA 18 Ca 0.45 -0.77 0.29 0.00 0.00 0.00 0.00 51.96 51.94 3k4w s ALA 18 Cb 0.22 -2.42 1.61 0.00 0.00 0.00 0.00 23.12 22.52 3k4w s ALA 18 CO 0.37 -0.49 2.14 0.00 0.00 0.00 0.00 175.76 177.79 3k4w h ARG 19 N 0.18 0.00 0.00 0.00 3.08 -1.90 0.56 114.38 116.31 3k4w h ARG 19 Ca -0.46 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 59.56 3k4w h ARG 19 Cb 1.24 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.28 3k4w h ARG 19 CO 0.60 0.08 -0.14 -0.84 -1.07 0.00 0.00 179.97 178.60 3k4w h ILE 20 N 0.00 0.88 0.00 2.04 3.07 -1.91 0.16 117.51 121.75 3k4w h ILE 20 Ca -0.00 -0.51 -0.26 0.00 1.55 0.00 0.00 64.86 65.64 3k4w h ILE 20 Cb 0.23 1.29 -0.05 0.00 -0.27 0.00 0.00 36.82 38.02 3k4w h ILE 20 CO 0.01 0.13 -1.98 -1.22 -1.05 0.00 0.00 178.15 174.04 3k4w n TYR 21 N -4.05 0.00 0.31 0.16 4.01 -0.82 -4.54 117.16 112.23 3k4w n TYR 21 Ca -0.02 0.00 0.15 0.00 -0.16 0.00 0.00 57.90 57.87 3k4w n TYR 21 Cb 0.22 -0.68 0.67 0.00 -0.31 0.00 0.00 39.34 39.25 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 0.00 -2.06 -0.72 1.35 0.12 -3.35 112.91 108.25 3k4w h THR 22 Ca -0.39 -0.23 -0.56 0.00 -0.55 0.00 0.00 66.41 64.68 3k4w h THR 22 Cb 1.69 1.03 -0.40 0.00 -1.73 0.00 0.00 68.15 68.74 3k4w h THR 22 CO -0.03 0.00 -0.96 0.54 -0.25 0.00 0.00 175.52 174.82 3k4w n ARG 23 N -2.61 1.34 0.27 4.72 5.12 0.55 -4.94 116.66 121.12 3k4w n ARG 23 Ca 0.00 -3.70 0.10 0.00 -1.93 0.00 0.00 57.85 52.32 3k4w n ARG 23 Cb 0.19 -1.59 0.71 0.00 -1.16 0.00 0.00 32.46 30.60 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 3.89 0.00 0.55 5.56 0.13 -1.78 -1.91 132.00 138.44 3k4w h PRO 24 Ca 0.11 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.22 3k4w h PRO 24 Cb 0.81 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.93 3k4w h PRO 24 CO 0.58 0.02 -0.42 0.38 -0.23 0.00 0.00 178.00 178.33 3k4w h ASP 25 N 0.00 -1.10 0.10 1.44 2.03 -1.95 -0.45 116.42 116.49 3k4w h ASP 25 Ca -0.00 0.08 0.02 0.00 -0.73 0.00 0.00 57.03 56.40 3k4w h ASP 25 Cb 0.04 0.34 -0.03 0.00 -0.83 0.00 0.00 39.33 38.85 3k4w h ASP 25 CO 0.00 -0.61 -0.25 0.40 -1.03 0.00 0.00 179.24 177.75 3k4w h ILE 26 N -0.95 0.44 -0.50 4.15 2.04 -1.88 -2.85 117.51 117.97 3k4w h ILE 26 Ca -0.06 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.85 3k4w h ILE 26 Cb 0.80 0.44 -0.05 0.00 -0.74 0.00 0.00 36.82 37.27 3k4w h ILE 26 CO 0.01 0.00 0.23 -0.09 0.00 0.00 0.00 178.15 178.30 3k4w h ARG 27 N -0.45 0.43 0.00 2.37 2.43 -1.31 -2.53 114.38 115.32 3k4w h ARG 27 Ca 0.03 -0.03 -0.05 0.00 -0.81 0.00 0.00 59.98 59.13 3k4w h ARG 27 Cb 0.48 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 29.93 3k4w h ARG 27 CO -0.15 0.28 -0.25 -0.91 -1.51 0.00 0.00 179.97 177.43 3k4w h ASN 28 N 0.44 0.00 -0.33 -3.80 2.35 -1.01 -1.66 115.58 111.56 3k4w h ASN 28 Ca 0.23 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 55.93 3k4w h ASN 28 Cb 0.18 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.54 3k4w h ASN 28 CO -0.19 0.25 0.03 0.03 -1.65 0.00 0.00 177.43 175.90 3k4w h ARG 29 N 0.00 0.57 0.12 0.81 3.08 -1.21 -1.68 114.38 116.07 3k4w h ARG 29 Ca -0.00 -0.16 0.00 0.00 0.07 0.00 0.00 59.98 59.89 3k4w h ARG 29 Cb 0.47 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.44 3k4w h ARG 29 CO 0.03 0.67 -0.13 0.35 -1.07 0.00 0.00 179.97 179.82 3k4w h PHE 30 N 0.39 -0.34 -0.35 3.04 3.04 -1.27 0.16 116.94 121.60 3k4w h PHE 30 Ca 0.10 0.00 0.06 0.00 3.98 0.00 0.00 57.97 62.11 3k4w h PHE 30 Cb 0.39 0.13 -0.05 0.00 2.56 0.00 0.00 35.95 38.98 3k4w h PHE 30 CO 0.03 -0.20 0.04 1.15 -2.02 0.00 0.00 178.31 177.31 3k4w h THR 31 N -0.29 0.78 -0.45 4.41 2.02 -1.37 0.89 112.91 118.90 3k4w h THR 31 Ca 0.01 -0.05 -0.10 0.00 0.77 0.00 0.00 66.41 67.03 3k4w h THR 31 Cb 0.28 0.62 -0.02 0.00 -1.74 0.00 0.00 68.15 67.29 3k4w h THR 31 CO -0.04 0.03 -0.14 0.03 0.37 0.00 0.00 175.52 175.77 3k4w h ARG 32 N 0.15 0.84 -0.15 6.66 3.08 -1.23 -0.50 114.38 123.23 3k4w h ARG 32 Ca 0.17 -0.30 -0.12 0.00 0.07 0.00 0.00 59.98 59.80 3k4w h ARG 32 Cb 0.21 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.19 3k4w h ARG 32 CO -0.25 0.93 -0.42 0.37 -1.07 0.00 0.00 179.97 179.52 3k4w h GLN 33 N 0.75 0.34 -0.41 0.04 4.15 -0.29 -1.94 115.11 117.76 3k4w h GLN 33 Ca 0.12 -0.17 0.03 0.00 0.77 0.00 0.00 58.65 59.40 3k4w h GLN 33 Cb 0.65 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 28.32 3k4w h GLN 33 CO 0.05 0.71 0.27 -0.07 -1.93 0.00 0.00 178.83 177.86 3k4w h LEU 34 N 0.28 0.36 0.00 -2.39 3.38 -0.59 -3.47 115.31 112.89 3k4w h LEU 34 Ca 0.02 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 3k4w h LEU 34 Cb 0.87 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.53 3k4w h LEU 34 CO 0.07 0.25 0.00 0.61 0.09 0.00 0.00 178.44 179.46 3k4w n GLY 35 N -1.50 1.43 3.65 0.83 0.00 -0.73 -4.92 105.19 103.96 3k4w n GLY 35 Ca 0.04 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.83 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 2.68 0.03 1.61 0.08 -0.26 -4.98 117.98 115.14 3k4w s PHE 36 Ca 0.00 -0.26 -0.22 0.00 0.12 0.00 0.00 56.93 56.57 3k4w s PHE 36 Cb 0.00 -1.26 -0.06 0.00 -0.57 0.00 0.00 43.02 41.13 3k4w s PHE 36 CO 0.00 0.58 0.66 -1.21 -0.10 0.00 0.00 175.22 175.16 3k4w s GLU 37 N -3.69 4.39 0.27 0.44 0.41 -1.26 -3.36 118.70 115.89 3k4w s GLU 37 Ca 0.32 0.88 -0.26 0.00 -0.41 0.00 0.00 54.97 55.49 3k4w s GLU 37 Cb -0.05 -3.34 -0.16 0.00 -1.78 0.00 0.00 34.13 28.80 3k4w s GLU 37 CO 0.20 0.36 0.57 -2.30 -0.49 0.00 0.00 175.26 173.60 3k4w n PRO 38 N 2.64 0.36 -1.93 0.39 -0.02 -1.26 -4.50 135.00 130.68 3k4w n PRO 38 Ca -0.05 0.13 -0.42 0.00 -2.02 0.00 0.00 63.50 61.13 3k4w n PRO 38 Cb 0.51 -1.24 -0.03 0.00 -0.02 0.00 0.00 33.50 32.71 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 -1.16 3.69 0.29 3.55 0.00 -1.26 -4.92 121.76 121.95 3k4w s ALA 39 Ca 0.62 1.21 0.03 0.00 0.00 0.00 0.00 51.96 53.82 3k4w s ALA 39 Cb -0.80 -3.69 0.72 0.00 0.00 0.00 0.00 23.12 19.34 3k4w s ALA 39 CO 0.58 -1.10 1.69 -1.35 0.00 0.00 0.00 175.76 175.58 3k4w h PRO 40 N 8.29 0.34 -0.29 0.00 0.11 -1.99 -1.28 132.00 137.18 3k4w h PRO 40 Ca -0.43 -0.02 -0.04 0.00 0.11 0.00 0.00 66.00 65.62 3k4w h PRO 40 Cb 1.20 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 32.22 3k4w h PRO 40 CO 0.93 0.23 0.00 0.66 -0.21 0.00 0.00 178.00 179.61 3k4w h SER 41 N 0.35 0.40 -0.00 -2.05 4.64 -1.88 0.30 113.55 115.31 3k4w h SER 41 Ca 0.55 -0.06 -0.01 0.00 -0.47 0.00 0.00 61.79 61.80 3k4w h SER 41 Cb 1.07 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 63.05 3k4w h SER 41 CO -0.55 0.46 -0.02 0.00 -0.87 0.00 0.00 176.83 175.85 3k4w h ALA 42 N 1.59 0.01 -0.93 5.18 0.00 -1.58 -0.44 119.26 123.08 3k4w h ALA 42 Ca 0.09 -0.34 0.15 0.00 0.00 0.00 0.00 54.91 54.82 3k4w h ALA 42 Cb 0.27 -0.00 -0.08 0.00 0.00 0.00 0.00 17.79 17.99 3k4w h ALA 42 CO 0.01 -0.15 0.59 0.93 0.00 0.00 0.00 179.25 180.63 3k4w h GLU 43 N -0.63 0.74 -0.01 0.00 4.39 -1.08 -1.44 114.58 116.55 3k4w h GLU 43 Ca -0.00 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.65 3k4w h GLU 43 Cb 0.68 -0.17 0.00 0.00 -0.10 0.00 0.00 28.75 29.16 3k4w h GLU 43 CO 0.00 0.49 -0.25 0.39 -1.16 0.00 0.00 179.01 178.48 3k4w n GLU 44 N -4.60 0.67 -4.26 2.33 1.02 0.08 -4.93 120.64 110.96 3k4w n GLU 44 Ca 0.19 -0.36 -0.34 0.00 -0.02 0.00 0.00 57.16 56.62 3k4w n GLU 44 Cb 0.47 -1.49 -0.05 0.00 -0.02 0.00 0.00 31.44 30.34 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 -0.86 -2.24 -3.72 3.49 5.02 -0.30 -4.95 118.16 114.61 3k4w n LYS 45 Ca 0.12 0.28 -0.38 0.00 -2.02 0.00 0.00 58.31 56.30 3k4w n LYS 45 Cb 0.33 -4.61 -0.12 0.00 -0.02 0.00 0.00 35.03 30.61 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 -3.72 5.30 0.24 4.39 0.15 -0.45 -4.90 113.70 114.71 3k4w s SER 46 Ca 0.46 -0.56 -0.06 0.00 0.70 0.00 0.00 55.95 56.50 3k4w s SER 46 Cb -0.26 -1.94 0.24 0.00 -1.71 0.00 0.00 66.02 62.36 3k4w s SER 46 CO 0.96 -0.17 1.81 0.25 1.20 0.00 0.00 173.24 177.29 3k4w h LEU 47 N 8.28 1.02 -0.22 3.45 5.85 -1.86 -1.38 115.31 130.46 3k4w h LEU 47 Ca -0.33 -0.15 -0.02 0.00 0.84 0.00 0.00 57.88 58.22 3k4w h LEU 47 Cb 1.14 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.90 3k4w h LEU 47 CO 0.61 0.90 0.04 -0.33 -0.34 0.00 0.00 178.44 179.32 3k4w h GLU 48 N 1.09 0.36 -0.35 1.25 3.07 -1.96 0.22 114.58 118.27 3k4w h GLU 48 Ca 0.25 -0.09 0.01 0.00 -0.50 0.00 0.00 59.36 59.03 3k4w h GLU 48 Cb 0.19 -0.04 -0.02 0.00 -0.84 0.00 0.00 28.75 28.04 3k4w h GLU 48 CO -0.02 0.50 0.21 1.25 -1.40 0.00 0.00 179.01 179.54 3k4w h LEU 49 N 0.17 0.34 -0.61 1.33 6.46 -1.93 -1.62 115.31 119.44 3k4w h LEU 49 Ca 0.07 0.00 0.10 0.00 -0.12 0.00 0.00 57.88 57.93 3k4w h LEU 49 Cb 0.31 -0.07 -0.08 0.00 -0.73 0.00 0.00 40.66 40.09 3k4w h LEU 49 CO 0.00 0.25 0.21 -0.03 -0.62 0.00 0.00 178.44 178.25 3k4w h MET 50 N 0.42 0.37 -0.66 1.25 4.05 -1.02 -0.51 114.93 118.83 3k4w h MET 50 Ca 0.13 -0.02 0.00 0.00 -0.28 0.00 0.00 59.70 59.54 3k4w h MET 50 Cb -0.01 -0.08 -0.03 0.00 -0.80 0.00 0.00 31.60 30.68 3k4w h MET 50 CO -0.06 0.24 0.43 0.74 0.23 0.00 0.00 176.91 178.50 3k4w h PHE 51 N 0.38 0.84 -0.06 1.39 0.04 -0.63 -0.05 116.94 118.85 3k4w h PHE 51 Ca 0.31 0.02 -0.18 0.00 2.80 0.00 0.00 57.97 60.91 3k4w h PHE 51 Cb 0.40 -0.28 -0.01 0.00 2.20 0.00 0.00 35.95 38.26 3k4w h PHE 51 CO -0.18 0.53 -0.75 0.93 -0.60 0.00 0.00 178.31 178.24 3k4w h GLU 52 N 0.90 0.35 -0.52 1.51 5.08 -0.50 -2.03 114.58 119.37 3k4w h GLU 52 Ca 0.24 -0.30 -0.03 0.00 -1.00 0.00 0.00 59.36 58.27 3k4w h GLU 52 Cb -0.09 0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.20 3k4w h GLU 52 CO -0.05 0.95 0.23 0.93 -1.00 0.00 0.00 179.01 180.07 3k4w h GLU 53 N 0.23 0.77 0.25 2.33 5.08 -0.57 -0.90 114.58 121.77 3k4w h GLU 53 Ca -0.03 -0.13 0.00 0.00 -1.00 0.00 0.00 59.36 58.20 3k4w h GLU 53 Cb 1.33 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 30.43 3k4w h GLU 53 CO 0.13 0.66 -0.26 0.52 -1.00 0.00 0.00 179.01 179.05 3k4w h MET 54 N 0.70 -0.53 -0.79 2.33 2.86 -1.00 -1.21 114.93 117.28 3k4w h MET 54 Ca 0.18 0.04 0.05 0.00 -2.06 0.00 0.00 59.70 57.90 3k4w h MET 54 Cb 0.16 0.12 -0.06 0.00 0.06 0.00 0.00 31.60 31.89 3k4w h MET 54 CO -0.02 -0.35 0.49 0.00 1.06 0.00 0.00 176.91 178.08 3k4w h ALA 55 N 0.09 1.07 0.00 6.32 0.00 -1.22 -1.13 119.26 124.40 3k4w h ALA 55 Ca -0.00 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.83 3k4w h ALA 55 Cb 0.52 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 3k4w h ALA 55 CO -0.07 0.23 -0.31 0.00 0.00 0.00 0.00 179.25 179.10 3k4w h ALA 56 N 1.37 1.04 0.00 0.00 0.00 -1.00 -2.77 119.26 117.89 3k4w h ALA 56 Ca 0.34 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.97 3k4w h ALA 56 Cb 0.13 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.87 3k4w h ALA 56 CO -0.16 0.39 -0.70 0.00 0.00 0.00 0.00 179.25 178.78 3k4w n ALA 57 N -2.28 3.27 -0.43 0.00 0.00 -0.47 -4.96 120.51 115.64 3k4w n ALA 57 Ca -0.00 -0.33 0.00 0.00 0.00 0.00 0.00 53.44 53.11 3k4w n ALA 57 Cb 0.46 -1.10 0.00 0.00 0.00 0.00 0.00 19.45 18.82 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 0.75 3.64 0.00 0.00 -0.52 -4.92 105.19 105.53 3k4w n GLY 58 Ca 0.04 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.63 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 -2.49 4.54 -0.13 -0.61 1.01 -0.74 -2.51 121.20 120.26 3k4w s ILE 59 Ca 0.00 1.80 0.11 0.00 0.00 0.00 0.00 60.65 62.55 3k4w s ILE 59 Cb 0.00 -4.38 -0.23 0.00 0.01 0.00 0.00 42.46 37.85 3k4w s ILE 59 CO 0.00 -0.41 0.33 1.21 0.00 0.00 0.00 174.94 176.07 3k4w n GLU 60 N 6.75 0.67 -4.11 2.79 4.07 0.41 -4.28 120.64 126.94 3k4w n GLU 60 Ca 0.12 0.17 -0.10 0.00 -0.06 0.00 0.00 57.16 57.30 3k4w n GLU 60 Cb 0.47 -1.66 -0.09 0.00 -0.06 0.00 0.00 31.44 30.09 3k4w n GLU 60 CO 0.00 0.00 0.00 -0.65 -0.06 0.00 0.00 177.13 176.42 3k4w s GLN 61 N -2.55 0.97 -0.00 5.31 -0.21 -1.18 -4.52 119.66 117.48 3k4w s GLN 61 Ca -0.12 -1.38 -0.12 0.00 0.02 0.00 0.00 55.36 53.76 3k4w s GLN 61 Cb 0.07 0.27 0.01 0.00 1.00 0.00 0.00 33.01 34.36 3k4w s GLN 61 CO 0.79 -0.29 0.23 0.20 -2.12 0.00 0.00 175.29 174.11 3k4w s GLY 62 N -3.03 -0.06 -0.28 3.09 0.00 0.68 -1.06 107.32 106.65 3k4w s GLY 62 Ca 0.22 0.09 -0.09 0.00 0.00 0.00 0.00 44.72 44.94 3k4w s GLY 62 CO 0.01 -0.09 0.13 0.14 0.00 0.00 0.00 173.10 173.29 3k4w s VAL 63 N -1.50 4.63 -0.51 1.40 1.01 0.17 -0.98 120.40 124.62 3k4w s VAL 63 Ca -0.13 -0.21 -0.17 0.00 0.00 0.00 0.00 61.98 61.46 3k4w s VAL 63 Cb -0.06 -3.26 0.08 0.00 0.00 0.00 0.00 36.38 33.14 3k4w s VAL 63 CO 0.02 0.20 0.52 0.00 0.00 0.00 0.00 175.10 175.84 3k4w s VAL 65 N 2.05 4.63 1.06 0.00 1.01 -1.26 -2.71 120.40 125.18 3k4w s VAL 65 Ca 0.08 -0.92 -0.14 0.00 0.00 0.00 0.00 61.98 61.00 3k4w s VAL 65 Cb -0.24 -3.63 0.22 0.00 0.00 0.00 0.00 36.38 32.73 3k4w s VAL 65 CO 0.07 -0.30 1.10 -0.83 0.00 0.00 0.00 175.10 175.15 3k4w s GLY 66 N 1.67 1.57 -0.04 4.51 0.00 -1.26 -4.85 107.32 108.92 3k4w s GLY 66 Ca 0.02 -0.55 0.03 0.00 0.00 0.00 0.00 44.72 44.22 3k4w s GLY 66 CO 0.07 0.14 -0.13 -1.60 0.00 0.00 0.00 173.10 171.57 3k4w s ARG 67 N -5.11 1.38 -0.22 2.90 3.52 -1.26 -4.82 118.95 115.35 3k4w s ARG 67 Ca 0.67 -0.45 -0.02 0.00 -0.13 0.00 0.00 55.73 55.81 3k4w s ARG 67 Cb -0.16 -1.23 0.06 0.00 -1.56 0.00 0.00 34.95 32.07 3k4w s ARG 67 CO 0.57 0.17 0.01 1.21 -0.81 0.00 0.00 175.30 176.45 3k4w s ASN 68 N 0.16 3.30 -0.19 -2.12 3.84 -1.26 -2.44 114.94 116.23 3k4w s ASN 68 Ca -0.04 -1.00 -0.09 0.00 0.21 0.00 0.00 52.86 51.94 3k4w s ASN 68 Cb -0.10 -0.81 0.07 0.00 -0.55 0.00 0.00 41.25 39.86 3k4w s ASN 68 CO 0.01 -0.29 0.43 -0.55 -2.79 0.00 0.00 177.10 173.91 3k4w s SER 69 N 1.69 -0.44 0.00 -4.21 0.15 -1.26 -4.58 113.70 105.05 3k4w s SER 69 Ca -0.02 0.96 0.16 0.00 0.70 0.00 0.00 55.95 57.75 3k4w s SER 69 Cb -0.18 1.02 0.94 0.00 -1.71 0.00 0.00 66.02 66.09 3k4w s SER 69 CO -0.09 -0.21 1.36 -1.54 1.20 0.00 0.00 173.24 173.96 3k4w n SER 70 N 4.70 0.00 -0.01 5.45 3.41 -1.26 -2.42 113.62 123.49 3k4w n SER 70 Ca -0.18 -0.66 0.00 0.00 -0.26 0.00 0.00 58.87 57.77 3k4w n SER 70 Cb 0.53 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.48 3k4w n SER 70 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 3k4w n VAL 71 N -0.93 0.00 -4.36 -3.33 0.31 -1.26 -4.96 118.33 103.80 3k4w n VAL 71 Ca 0.12 -0.50 -0.22 0.00 -0.01 0.00 0.00 64.34 63.72 3k4w n VAL 71 Cb 0.05 1.00 -0.13 0.00 -0.91 0.00 0.00 33.84 33.86 3k4w n VAL 71 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 3k4w s LEU 72 N -0.55 2.24 -0.40 7.52 1.43 -1.02 -5.08 118.68 122.83 3k4w s LEU 72 Ca 0.00 -0.59 -0.44 0.00 -1.03 0.00 0.00 54.13 52.07 3k4w s LEU 72 Cb 0.00 -0.78 -0.18 0.00 0.03 0.00 0.00 46.19 45.26 3k4w s LEU 72 CO 0.00 0.05 1.62 0.61 0.23 0.00 0.00 176.35 178.87 3k4w n GLY 73 N 1.46 0.40 3.54 -3.19 0.00 -1.26 -4.52 105.19 101.61 3k4w n GLY 73 Ca -0.19 0.97 -0.25 0.00 0.00 0.00 0.00 46.02 46.55 3k4w n GLY 73 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3k4w s SER 74 N 3.01 3.10 -0.13 1.61 0.01 -1.26 -4.27 113.70 115.79 3k4w s SER 74 Ca 1.02 -1.40 0.02 0.00 1.31 0.00 0.00 55.95 56.90 3k4w s SER 74 Cb -1.34 -0.16 0.00 0.00 0.21 0.00 0.00 66.02 64.73 3k4w s SER 74 CO 0.75 -0.57 -0.21 0.54 0.41 0.00 0.00 173.24 174.16 3k4w s VAL 75 N -3.03 2.25 0.65 3.43 0.11 -1.02 -4.63 120.40 118.17 3k4w s VAL 75 Ca 0.34 -0.93 -0.13 0.00 -2.93 0.00 0.00 61.98 58.33 3k4w s VAL 75 Cb 0.09 -1.90 -0.01 0.00 -1.53 0.00 0.00 36.38 33.03 3k4w s VAL 75 CO 0.16 0.55 1.05 -0.94 -3.33 0.00 0.00 175.10 172.59 3k4w s SER 76 N 0.58 5.58 0.42 3.54 1.04 -1.26 -4.50 113.70 119.10 3k4w s SER 76 Ca -0.12 1.67 0.16 0.00 0.48 0.00 0.00 55.95 58.14 3k4w s SER 76 Cb -0.17 -2.51 0.93 0.00 0.10 0.00 0.00 66.02 64.38 3k4w s SER 76 CO 0.03 -1.31 1.91 0.78 0.98 0.00 0.00 173.24 175.64 3k4w h ASN 77 N -0.28 0.00 -0.40 7.02 2.35 -1.95 -2.74 115.58 119.57 3k4w h ASN 77 Ca -0.45 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.28 3k4w h ASN 77 Cb 1.21 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 39.56 3k4w h ASN 77 CO 0.57 0.27 0.18 0.00 -1.65 0.00 0.00 177.43 176.81 3k4w h ALA 78 N 1.73 0.52 -0.44 -0.83 0.00 -1.97 -1.88 119.26 116.39 3k4w h ALA 78 Ca -0.00 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.76 3k4w h ALA 78 Cb 0.52 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 3k4w h ALA 78 CO 0.04 0.10 0.16 -0.44 0.00 0.00 0.00 179.25 179.10 3k4w h ASP 79 N 0.51 0.57 -0.25 0.00 5.19 -1.85 -1.15 116.42 119.45 3k4w h ASP 79 Ca 0.14 -0.07 -0.02 0.00 -0.62 0.00 0.00 57.03 56.46 3k4w h ASP 79 Cb 0.14 -0.15 -0.01 0.00 0.18 0.00 0.00 39.33 39.50 3k4w h ASP 79 CO -0.02 0.54 0.06 0.58 -3.12 0.00 0.00 179.24 177.28 3k4w h VAL 80 N 0.63 1.21 -0.47 -1.35 2.07 -1.35 -2.09 116.25 114.89 3k4w h VAL 80 Ca 0.15 -0.68 0.06 0.00 0.82 0.00 0.00 66.70 67.05 3k4w h VAL 80 Cb 0.16 1.19 -0.03 0.00 -1.52 0.00 0.00 31.29 31.09 3k4w h VAL 80 CO -0.01 0.22 0.32 0.00 0.02 0.00 0.00 177.57 178.12 3k4w h ALA 81 N 0.88 1.96 0.03 1.67 0.00 -1.15 -2.78 119.26 119.88 3k4w h ALA 81 Ca 0.08 -0.02 -0.22 0.00 0.00 0.00 0.00 54.91 54.76 3k4w h ALA 81 Cb 0.28 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 3k4w h ALA 81 CO 0.00 -0.05 -1.00 0.00 0.00 0.00 0.00 179.25 178.20 3k4w h ALA 82 N 1.75 0.38 -0.55 0.00 0.00 -0.90 -1.78 119.26 118.15 3k4w h ALA 82 Ca 0.21 -0.82 -0.02 0.00 0.00 0.00 0.00 54.91 54.28 3k4w h ALA 82 Cb 0.34 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 3k4w h ALA 82 CO -0.05 1.04 0.25 0.28 0.00 0.00 0.00 179.25 180.77 3k4w h VAL 83 N 0.06 1.21 -0.53 0.00 2.07 -1.13 -0.91 116.25 117.01 3k4w h VAL 83 Ca -0.05 -0.60 -0.05 0.00 0.82 0.00 0.00 66.70 66.81 3k4w h VAL 83 Cb 1.69 0.59 -0.02 0.00 -1.52 0.00 0.00 31.29 32.02 3k4w h VAL 83 CO 0.15 0.24 0.11 0.00 0.02 0.00 0.00 177.57 178.08 3k4w h ALA 84 N 1.09 1.20 -0.15 1.67 0.00 -1.31 -1.85 119.26 119.92 3k4w h ALA 84 Ca 0.19 -0.21 -0.18 0.00 0.00 0.00 0.00 54.91 54.71 3k4w h ALA 84 Cb 0.14 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.71 3k4w h ALA 84 CO -0.02 0.54 -0.64 -0.22 0.00 0.00 0.00 179.25 178.91 3k4w h LYS 85 N 0.78 0.55 -0.38 0.00 3.64 -1.15 -2.27 116.57 117.75 3k4w h LYS 85 Ca 0.17 -0.39 -0.08 0.00 -1.27 0.00 0.00 60.65 59.08 3k4w h LYS 85 Cb 0.32 0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.18 3k4w h LYS 85 CO 0.00 1.01 -0.10 0.00 -2.27 0.00 0.00 179.45 178.10 3k4w h ALA 86 N 0.89 1.12 -2.09 5.00 0.00 -0.97 -3.38 119.26 119.83 3k4w h ALA 86 Ca -0.01 -0.29 -0.57 0.00 0.00 0.00 0.00 54.91 54.04 3k4w h ALA 86 Cb 1.21 -0.16 -0.40 0.00 0.00 0.00 0.00 17.79 18.44 3k4w h ALA 86 CO 0.12 0.55 -0.96 0.66 0.00 0.00 0.00 179.25 179.62 3k4w n TYR 87 N -4.19 0.73 0.23 0.00 4.01 -0.71 -5.00 117.16 112.23 3k4w n TYR 87 Ca 0.01 -3.72 0.12 0.00 -0.16 0.00 0.00 57.90 54.15 3k4w n TYR 87 Cb 0.34 -0.38 0.43 0.00 -0.31 0.00 0.00 39.34 39.42 3k4w n TYR 87 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 3k4w h PRO 88 N 4.16 0.00 -0.24 -0.72 0.13 -1.59 -1.30 132.00 132.45 3k4w h PRO 88 Ca 0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 3k4w h PRO 88 Cb 0.82 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.95 3k4w h PRO 88 CO 0.56 0.14 0.00 -0.40 -0.23 0.00 0.00 178.00 178.07 3k4w n ASP 89 N -3.22 2.42 -0.08 1.44 5.75 -1.26 -4.45 116.55 117.15 3k4w n ASP 89 Ca 0.01 -1.83 -0.14 0.00 -0.01 0.00 0.00 54.79 52.82 3k4w n ASP 89 Cb 0.44 -0.15 -0.07 0.00 -1.03 0.00 0.00 41.12 40.31 3k4w n ASP 89 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 3k4w n LYS 90 N 0.83 0.39 -5.12 0.11 4.76 -0.59 -4.73 118.16 113.80 3k4w n LYS 90 Ca 0.17 0.12 -0.30 0.00 -2.87 0.00 0.00 58.31 55.43 3k4w n LYS 90 Cb 0.45 -1.25 -0.16 0.00 -1.84 0.00 0.00 35.03 32.23 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 -2.32 2.22 -0.18 2.13 0.08 -0.62 -0.23 117.98 119.07 3k4w s PHE 91 Ca -0.22 -0.69 -0.06 0.00 0.12 0.00 0.00 56.93 56.07 3k4w s PHE 91 Cb 0.07 -1.47 -0.03 0.00 -0.57 0.00 0.00 43.02 41.01 3k4w s PHE 91 CO 0.35 -0.23 0.02 -1.01 -0.10 0.00 0.00 175.22 174.25 3k4w s HIS 92 N -0.02 3.15 0.17 0.36 3.76 -0.15 -4.67 115.29 117.89 3k4w s HIS 92 Ca -0.06 -0.11 -0.03 0.00 -0.15 0.00 0.00 55.06 54.71 3k4w s HIS 92 Cb -0.14 -2.04 -0.05 0.00 1.11 0.00 0.00 32.58 31.47 3k4w s HIS 92 CO 0.04 0.05 0.39 -1.25 -0.85 0.00 0.00 174.74 173.11 3k4w s PRO 93 N 0.44 3.57 -0.04 8.40 0.04 -1.26 -1.17 135.00 144.98 3k4w s PRO 93 Ca 0.00 -0.21 0.04 0.00 0.04 0.00 0.00 61.00 60.87 3k4w s PRO 93 Cb -0.13 -2.84 -0.00 0.00 0.04 0.00 0.00 34.50 31.57 3k4w s PRO 93 CO 0.01 0.43 -0.15 0.08 0.04 0.00 0.00 177.00 177.42 3k4w s VAL 94 N -1.77 1.23 -0.16 -0.36 1.01 -1.10 -4.45 120.40 114.80 3k4w s VAL 94 Ca 0.40 -0.60 -0.11 0.00 0.00 0.00 0.00 61.98 61.66 3k4w s VAL 94 Cb -0.12 -1.06 -0.05 0.00 0.00 0.00 0.00 36.38 35.15 3k4w s VAL 94 CO 0.27 0.36 0.21 -0.83 0.00 0.00 0.00 175.10 175.11 3k4w s GLY 95 N 0.10 2.14 -0.12 4.51 0.00 -0.43 -4.26 107.32 109.27 3k4w s GLY 95 Ca -0.04 -0.57 -0.08 0.00 0.00 0.00 0.00 44.72 44.03 3k4w s GLY 95 CO 0.02 0.17 0.16 -0.56 0.00 0.00 0.00 173.10 172.88 3k4w s SER 96 N 0.11 6.41 -0.13 1.64 0.01 -1.26 -0.19 113.70 120.29 3k4w s SER 96 Ca 0.13 0.49 -0.05 0.00 1.31 0.00 0.00 55.95 57.83 3k4w s SER 96 Cb -0.12 -2.08 -0.04 0.00 0.21 0.00 0.00 66.02 63.99 3k4w s SER 96 CO 0.02 0.39 0.04 -0.63 0.41 0.00 0.00 173.24 173.46 3k4w s ILE 97 N -0.94 4.61 -0.16 1.44 1.01 -1.03 -4.89 121.20 121.24 3k4w s ILE 97 Ca 0.15 -0.12 -0.01 0.00 0.00 0.00 0.00 60.65 60.67 3k4w s ILE 97 Cb -0.12 -3.00 0.04 0.00 0.01 0.00 0.00 42.46 39.39 3k4w s ILE 97 CO 0.04 0.55 -0.04 -0.70 0.00 0.00 0.00 174.94 174.79 3k4w s GLU 98 N -0.40 1.33 -0.09 2.79 2.12 -1.26 -4.63 118.70 118.55 3k4w s GLU 98 Ca 0.09 -0.48 -0.00 0.00 0.36 0.00 0.00 54.97 54.93 3k4w s GLU 98 Cb -0.12 -1.96 0.02 0.00 0.26 0.00 0.00 34.13 32.33 3k4w s GLU 98 CO 0.02 -0.44 -0.06 0.00 -0.54 0.00 0.00 175.26 174.24 3k4w s ALA 99 N 1.67 1.11 -0.19 6.30 0.00 -1.26 -4.82 121.76 124.57 3k4w s ALA 99 Ca 0.01 -0.39 0.22 0.00 0.00 0.00 0.00 51.96 51.80 3k4w s ALA 99 Cb -0.15 -0.79 0.48 0.00 0.00 0.00 0.00 23.12 22.65 3k4w s ALA 99 CO -0.08 -0.33 1.64 0.00 0.00 0.00 0.00 175.76 176.99 3k4w h ALA 100 N 7.99 0.90 -2.32 0.00 0.00 -1.95 -3.47 119.26 120.41 3k4w h ALA 100 Ca -0.28 -0.17 -0.25 0.00 0.00 0.00 0.00 54.91 54.20 3k4w h ALA 100 Cb 1.14 -0.03 -0.15 0.00 0.00 0.00 0.00 17.79 18.75 3k4w h ALA 100 CO 0.39 0.24 -0.66 0.95 0.00 0.00 0.00 179.25 180.16 3k4w s THR 101 N -3.26 0.50 0.31 0.00 -4.23 -1.26 -5.06 115.64 102.64 3k4w s THR 101 Ca 0.04 -1.95 0.11 0.00 -1.18 0.00 0.00 61.69 58.71 3k4w s THR 101 Cb 0.07 -2.07 0.03 0.00 1.34 0.00 0.00 72.50 71.87 3k4w s THR 101 CO 0.67 -0.50 1.71 0.08 -0.54 0.00 0.00 174.62 176.04 3k4w h ARG 102 N 2.76 0.02 -0.24 3.99 0.11 -1.93 -2.21 114.38 116.89 3k4w h ARG 102 Ca -0.36 -0.01 -0.11 0.00 0.10 0.00 0.00 59.98 59.60 3k4w h ARG 102 Cb 1.20 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 32.28 3k4w h ARG 102 CO 0.62 0.52 -0.27 0.87 0.10 0.00 0.00 179.97 181.81 3k4w h LYS 103 N 0.01 0.60 -0.69 0.08 1.57 -1.97 -2.53 116.57 113.64 3k4w h LYS 103 Ca -0.00 -0.33 0.11 0.00 -1.87 0.00 0.00 60.65 58.56 3k4w h LYS 103 Cb 0.90 0.02 -0.08 0.00 0.08 0.00 0.00 32.23 33.14 3k4w h LYS 103 CO 0.07 0.93 0.29 0.93 -0.57 0.00 0.00 179.45 181.10 3k4w h GLU 104 N 0.30 0.47 -0.66 3.15 5.08 -1.92 -1.94 114.58 119.06 3k4w h GLU 104 Ca 0.03 -0.03 0.11 0.00 -1.00 0.00 0.00 59.36 58.48 3k4w h GLU 104 Cb 0.83 -0.11 -0.08 0.00 0.50 0.00 0.00 28.75 29.90 3k4w h GLU 104 CO 0.07 0.31 0.24 0.00 -1.00 0.00 0.00 179.01 178.63 3k4w h ALA 105 N 1.47 0.87 0.00 3.43 0.00 -1.27 -2.33 119.26 121.43 3k4w h ALA 105 Ca 0.36 0.10 -0.11 0.00 0.00 0.00 0.00 54.91 55.26 3k4w h ALA 105 Cb 0.46 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 3k4w h ALA 105 CO -0.33 -0.20 -0.52 0.52 0.00 0.00 0.00 179.25 178.72 3k4w h MET 106 N 0.41 0.00 0.01 0.00 2.86 -0.95 -0.62 114.93 116.64 3k4w h MET 106 Ca 0.34 0.00 -0.20 0.00 -2.06 0.00 0.00 59.70 57.78 3k4w h MET 106 Cb 0.47 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.11 3k4w h MET 106 CO -0.35 0.52 -0.92 0.00 1.06 0.00 0.00 176.91 177.22 3k4w h ALA 107 N 1.48 0.48 0.04 6.32 0.00 -0.99 -1.90 119.26 124.68 3k4w h ALA 107 Ca -0.01 -0.76 -0.24 0.00 0.00 0.00 0.00 54.91 53.90 3k4w h ALA 107 Cb 0.97 -0.08 0.02 0.00 0.00 0.00 0.00 17.79 18.70 3k4w h ALA 107 CO 0.07 0.96 -0.98 1.96 0.00 0.00 0.00 179.25 181.26 3k4w h GLN 108 N 0.08 0.59 -0.35 0.00 4.20 -1.30 -2.12 115.11 116.22 3k4w h GLN 108 Ca -0.05 -0.69 0.08 0.00 0.06 0.00 0.00 58.65 58.05 3k4w h GLN 108 Cb 1.57 0.21 -0.08 0.00 0.30 0.00 0.00 27.48 29.47 3k4w h GLN 108 CO 0.14 1.29 -0.25 1.98 -0.67 0.00 0.00 178.83 181.31 3k4w h MET 109 N 0.20 -0.20 -0.95 1.46 4.05 -1.12 -0.72 114.93 117.65 3k4w h MET 109 Ca -0.13 0.01 0.04 0.00 -0.28 0.00 0.00 59.70 59.34 3k4w h MET 109 Cb 1.66 0.04 -0.06 0.00 -0.80 0.00 0.00 31.60 32.45 3k4w h MET 109 CO 0.19 -0.13 0.62 0.37 0.23 0.00 0.00 176.91 178.19 3k4w h GLN 110 N -0.20 1.15 -0.46 0.39 5.75 -1.26 -1.59 115.11 118.88 3k4w h GLN 110 Ca 0.17 -0.07 -0.03 0.00 -0.15 0.00 0.00 58.65 58.57 3k4w h GLN 110 Cb 0.47 -0.26 -0.02 0.00 1.07 0.00 0.00 27.48 28.75 3k4w h GLN 110 CO -0.47 0.76 0.17 1.49 -2.65 0.00 0.00 178.83 178.13 3k4w h GLU 111 N 1.18 0.70 -0.58 1.69 4.81 -0.92 -0.27 114.58 121.19 3k4w h GLU 111 Ca 0.39 -0.14 0.01 0.00 -0.13 0.00 0.00 59.36 59.49 3k4w h GLU 111 Cb 0.04 -0.11 -0.03 0.00 0.63 0.00 0.00 28.75 29.28 3k4w h GLU 111 CO -0.13 0.65 0.37 0.82 -0.73 0.00 0.00 179.01 179.99 3k4w h ILE 112 N 0.61 1.13 -0.20 2.32 2.04 -0.62 -2.64 117.51 120.13 3k4w h ILE 112 Ca 0.15 -0.26 -0.12 0.00 1.00 0.00 0.00 64.86 65.64 3k4w h ILE 112 Cb 0.23 0.30 -0.01 0.00 -0.74 0.00 0.00 36.82 36.60 3k4w h ILE 112 CO -0.01 0.14 -0.37 -0.07 0.00 0.00 0.00 178.15 177.84 3k4w h LEU 113 N 0.76 0.46 -2.10 1.44 3.38 -1.00 -2.27 115.31 115.98 3k4w h LEU 113 Ca 0.22 -0.19 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 3k4w h LEU 113 Cb -0.06 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 40.56 3k4w h LEU 113 CO -0.06 0.80 -0.04 0.44 0.09 0.00 0.00 178.44 179.67 3k4w h ASP 114 N 0.38 0.00 -0.23 -0.43 3.32 -0.71 -2.19 116.42 116.56 3k4w h ASP 114 Ca 0.04 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.09 3k4w h ASP 114 Cb 0.82 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.37 3k4w h ASP 114 CO 0.07 0.04 0.00 0.18 -1.72 0.00 0.00 179.24 177.80 3k4w n LEU 115 N -3.24 1.94 0.00 1.55 4.77 -0.89 -4.91 117.00 116.22 3k4w n LEU 115 Ca -0.01 -0.84 0.00 0.00 -0.03 0.00 0.00 56.01 55.13 3k4w n LEU 115 Cb 0.21 -0.15 0.00 0.00 -2.33 0.00 0.00 43.42 41.15 3k4w n LEU 115 CO 0.26 0.42 0.00 0.61 -1.33 0.00 0.00 177.39 177.35 3k4w n GLY 116 N 1.17 0.71 3.80 -0.72 0.00 -0.82 -4.92 105.19 104.41 3k4w n GLY 116 Ca 0.16 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.89 4.34 0.00 -0.61 1.01 -1.01 -4.99 121.20 117.05 3k4w s ILE 117 Ca 0.00 1.58 0.00 0.00 0.00 0.00 0.00 60.65 62.23 3k4w s ILE 117 Cb 0.00 -3.80 0.00 0.00 0.01 0.00 0.00 42.46 38.67 3k4w s ILE 117 CO 0.00 -0.08 0.37 0.54 0.00 0.00 0.00 174.94 175.78 3k4w n ARG 118 N -0.01 0.18 -4.38 2.79 5.12 -1.26 -4.14 116.66 114.96 3k4w n ARG 118 Ca 0.04 -0.44 -0.21 0.00 -1.93 0.00 0.00 57.85 55.30 3k4w n ARG 118 Cb 0.52 -0.69 -0.16 0.00 -1.16 0.00 0.00 32.46 30.97 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 -0.14 0.81 0.18 0.55 1.01 -1.26 -4.35 121.20 118.00 3k4w s ILE 119 Ca 0.00 -0.32 0.06 0.00 0.00 0.00 0.00 60.65 60.39 3k4w s ILE 119 Cb 0.00 -0.75 -0.04 0.00 0.01 0.00 0.00 42.46 41.68 3k4w s ILE 119 CO 0.00 0.27 0.12 0.54 0.00 0.00 0.00 174.94 175.87 3k4w s VAL 120 N 0.58 4.30 -0.06 2.92 0.11 -1.03 -1.31 120.40 125.92 3k4w s VAL 120 Ca -0.10 -1.23 0.03 0.00 -2.93 0.00 0.00 61.98 57.75 3k4w s VAL 120 Cb -0.13 -3.21 0.01 0.00 -1.53 0.00 0.00 36.38 31.52 3k4w s VAL 120 CO 0.01 -0.16 -0.13 0.21 -3.33 0.00 0.00 175.10 171.71 3k4w s ASN 121 N -3.21 1.78 -0.13 3.54 2.47 0.74 -0.04 114.94 120.08 3k4w s ASN 121 Ca 0.31 -0.30 0.02 0.00 0.42 0.00 0.00 52.86 53.31 3k4w s ASN 121 Cb -0.09 -0.72 0.01 0.00 -1.45 0.00 0.00 41.25 38.99 3k4w s ASN 121 CO 0.23 0.06 -0.20 -0.76 -3.72 0.00 0.00 177.10 172.71 3k4w s LEU 122 N 0.49 1.99 -0.55 3.21 1.43 0.44 -2.47 118.68 123.22 3k4w s LEU 122 Ca -0.11 -0.55 0.07 0.00 -1.03 0.00 0.00 54.13 52.51 3k4w s LEU 122 Cb -0.14 -1.33 0.27 0.00 0.03 0.00 0.00 46.19 45.02 3k4w s LEU 122 CO 0.03 0.06 0.72 -0.62 0.23 0.00 0.00 176.35 176.78 3k4w n GLU 123 N 4.08 2.08 0.27 1.70 1.02 -1.26 -1.81 120.64 126.72 3k4w n GLU 123 Ca -0.20 -4.25 0.17 0.00 -0.02 0.00 0.00 57.16 52.87 3k4w n GLU 123 Cb 0.51 -1.96 0.72 0.00 -0.02 0.00 0.00 31.44 30.70 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 3.85 0.00 0.00 3.49 0.13 -1.87 -2.25 132.00 135.36 3k4w h PRO 124 Ca 0.15 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.28 3k4w h PRO 124 Cb 0.71 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.84 3k4w h PRO 124 CO 0.72 0.00 0.00 0.78 -0.23 0.00 0.00 178.00 179.27 3k4w h GLY 125 N 1.82 0.00 -2.24 1.56 0.00 -1.54 -0.74 103.07 101.93 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 -2.78 0.72 -1.23 4.60 0.24 -0.85 -4.14 118.33 114.90 3k4w n VAL 126 Ca 0.01 -0.86 -0.31 0.00 -2.04 0.00 0.00 64.34 61.14 3k4w n VAL 126 Cb 0.24 0.77 0.11 0.00 -1.47 0.00 0.00 33.84 33.49 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 -1.22 2.48 0.23 6.34 0.51 -1.16 -4.82 118.94 121.30 3k4w s TRP 127 Ca 0.39 1.46 -0.12 0.00 -2.12 0.00 0.00 56.10 55.72 3k4w s TRP 127 Cb 0.22 -3.09 0.31 0.00 -0.81 0.00 0.00 33.47 30.09 3k4w s TRP 127 CO 0.29 -2.01 1.61 0.00 -0.51 0.00 0.00 176.95 176.34 3k4w h ALA 128 N -1.28 0.51 -2.68 0.98 0.00 -1.93 -3.04 119.26 111.83 3k4w h ALA 128 Ca -0.45 0.27 -0.75 0.00 0.00 0.00 0.00 54.91 53.98 3k4w h ALA 128 Cb 1.25 0.53 -0.28 0.00 0.00 0.00 0.00 17.79 19.28 3k4w h ALA 128 CO 0.52 -0.42 -0.20 0.99 0.00 0.00 0.00 179.25 180.15 3k4w s THR 129 N -6.22 4.77 0.28 0.00 2.01 -1.26 -5.07 115.64 110.15 3k4w s THR 129 Ca -0.14 -2.15 -0.30 0.00 0.31 0.00 0.00 61.69 59.41 3k4w s THR 129 Cb 0.21 -4.05 -0.11 0.00 0.01 0.00 0.00 72.50 68.57 3k4w s THR 129 CO 0.75 -0.89 1.53 -2.84 -0.69 0.00 0.00 174.62 172.48 3k4w s PRO 130 N 0.78 4.18 0.08 4.92 0.02 -1.15 -4.96 135.00 138.87 3k4w s PRO 130 Ca 0.11 2.48 0.03 0.00 0.02 0.00 0.00 61.00 63.63 3k4w s PRO 130 Cb -0.21 -3.05 -0.03 0.00 0.02 0.00 0.00 34.50 31.22 3k4w s PRO 130 CO -0.03 -0.55 -0.09 0.00 -0.33 0.00 0.00 177.00 176.00 3k4w s MET 131 N -0.51 0.75 0.61 5.54 0.23 -0.29 -4.95 119.30 120.68 3k4w s MET 131 Ca 0.61 -1.09 -0.15 0.00 -1.03 0.00 0.00 55.69 54.04 3k4w s MET 131 Cb -0.46 -0.38 -0.03 0.00 -1.53 0.00 0.00 34.83 32.44 3k4w s MET 131 CO 0.47 0.05 1.06 -1.01 -2.03 0.00 0.00 175.02 173.55 3k4w s HIS 132 N -2.44 3.01 0.56 3.16 3.76 -1.26 -2.86 115.29 119.22 3k4w s HIS 132 Ca 0.03 1.50 0.25 0.00 -0.15 0.00 0.00 55.06 56.68 3k4w s HIS 132 Cb -0.03 -2.99 1.53 0.00 1.11 0.00 0.00 32.58 32.21 3k4w s HIS 132 CO -0.01 -1.13 2.12 -0.39 -0.85 0.00 0.00 174.74 174.48 3k4w h VAL 133 N 0.25 0.67 -0.48 -0.90 -1.51 -1.91 -1.82 116.25 110.55 3k4w h VAL 133 Ca -0.46 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.01 3k4w h VAL 133 Cb 1.22 0.89 0.00 0.00 -2.13 0.00 0.00 31.29 31.27 3k4w h VAL 133 CO 0.57 0.00 0.00 -0.90 -1.23 0.00 0.00 177.57 176.01 3k4w n ASP 134 N -4.12 4.57 -4.71 4.19 5.75 -1.26 -4.92 116.55 116.06 3k4w n ASP 134 Ca 0.01 -2.63 -0.43 0.00 -0.01 0.00 0.00 54.79 51.73 3k4w n ASP 134 Cb 0.27 -0.61 -0.02 0.00 -1.03 0.00 0.00 41.12 39.72 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 0.62 3.45 -0.33 -1.12 -0.08 -0.69 -4.88 116.55 113.53 3k4w n ASP 135 Ca 0.22 1.13 0.22 0.00 -1.51 0.00 0.00 54.79 54.85 3k4w n ASP 135 Cb 0.94 -1.52 0.42 0.00 2.34 0.00 0.00 41.12 43.29 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 4.94 0.02 0.00 -0.67 0.11 -1.93 -0.25 114.38 116.60 3k4w h ARG 136 Ca -0.46 -0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.62 3k4w h ARG 136 Cb 1.24 -0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.32 3k4w h ARG 136 CO 0.81 0.01 0.00 0.00 0.10 0.00 0.00 179.97 180.89 3k4w h ARG 137 N 0.02 0.00 0.00 0.08 3.08 -1.97 -2.25 114.38 113.34 3k4w h ARG 137 Ca 0.71 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.76 3k4w h ARG 137 Cb 1.66 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.71 3k4w h ARG 137 CO -0.84 0.00 -0.66 -0.07 -1.07 0.00 0.00 179.97 177.33 3k4w h LEU 138 N 0.00 0.00 -0.82 3.04 3.38 -1.39 -3.40 115.31 116.12 3k4w h LEU 138 Ca 0.00 -0.19 0.05 0.00 0.09 0.00 0.00 57.88 57.82 3k4w h LEU 138 Cb 0.33 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.02 3k4w h LEU 138 CO 0.00 0.10 0.51 1.88 0.09 0.00 0.00 178.44 181.02 3k4w h TYR 139 N 0.00 0.95 -0.78 1.13 -1.99 -1.45 -1.78 116.97 113.05 3k4w h TYR 139 Ca 0.00 0.03 -0.01 0.00 2.00 0.00 0.00 58.73 60.75 3k4w h TYR 139 Cb 0.77 -0.31 -0.04 0.00 2.00 0.00 0.00 36.73 39.15 3k4w h TYR 139 CO 0.00 0.51 0.47 -1.35 -0.00 0.00 0.00 178.16 177.79 3k4w h PRO 140 N 0.97 1.06 -0.53 4.88 0.11 -1.77 -1.42 132.00 135.31 3k4w h PRO 140 Ca 0.34 -0.09 0.02 0.00 0.11 0.00 0.00 66.00 66.38 3k4w h PRO 140 Cb 0.10 -0.22 -0.03 0.00 0.11 0.00 0.00 31.00 30.95 3k4w h PRO 140 CO -0.15 0.75 0.33 1.25 -0.21 0.00 0.00 178.00 179.97 3k4w h LEU 141 N 1.08 0.55 -1.33 2.35 5.85 -1.69 -2.45 115.31 119.67 3k4w h LEU 141 Ca 0.28 -0.00 -0.06 0.00 0.84 0.00 0.00 57.88 58.94 3k4w h LEU 141 Cb -0.04 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 40.86 3k4w h LEU 141 CO -0.05 0.39 -0.18 1.88 -0.34 0.00 0.00 178.44 180.14 3k4w h TYR 142 N 0.66 0.24 -0.19 1.25 0.05 -0.69 -1.63 116.97 116.67 3k4w h TYR 142 Ca 0.21 -0.03 -0.09 0.00 0.05 0.00 0.00 58.73 58.86 3k4w h TYR 142 Cb -0.02 -0.07 -0.01 0.00 1.01 0.00 0.00 36.73 37.64 3k4w h TYR 142 CO -0.05 0.40 -0.28 0.00 -1.05 0.00 0.00 178.16 177.18 3k4w h ALA 143 N 1.61 1.17 0.09 3.88 0.00 -1.04 -0.17 119.26 124.79 3k4w h ALA 143 Ca 0.04 -0.34 -0.00 0.00 0.00 0.00 0.00 54.91 54.60 3k4w h ALA 143 Cb 0.45 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.13 3k4w h ALA 143 CO 0.03 0.53 -0.04 0.35 0.00 0.00 0.00 179.25 180.12 3k4w h PHE 144 N 0.31 -0.11 -0.77 0.00 3.57 -0.93 -1.39 116.94 117.62 3k4w h PHE 144 Ca 0.04 -0.00 0.16 0.00 3.53 0.00 0.00 57.97 61.71 3k4w h PHE 144 Cb 0.67 0.04 -0.11 0.00 2.79 0.00 0.00 35.95 39.33 3k4w h PHE 144 CO 0.02 0.43 0.27 0.00 -2.23 0.00 0.00 178.31 176.80 3k4w h GLU 146 N 0.37 0.33 0.00 0.00 4.81 -1.00 -0.88 114.58 118.21 3k4w h GLU 146 Ca 0.44 -0.08 -0.06 0.00 -0.13 0.00 0.00 59.36 59.54 3k4w h GLU 146 Cb 0.74 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 30.06 3k4w h GLU 146 CO -0.47 0.44 -0.29 -0.44 -0.73 0.00 0.00 179.01 177.52 3k4w h ASP 147 N 0.16 0.00 -0.70 1.04 3.32 -0.79 -2.98 116.42 116.47 3k4w h ASP 147 Ca 0.07 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.12 3k4w h ASP 147 Cb 0.25 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.80 3k4w h ASP 147 CO -0.00 0.29 0.00 0.59 -1.72 0.00 0.00 179.24 178.40 3k4w n ASN 148 N -3.70 3.87 -2.98 6.45 3.02 -0.38 -4.98 115.26 116.55 3k4w n ASN 148 Ca -0.01 -2.00 -0.22 0.00 -0.03 0.00 0.00 54.58 52.32 3k4w n ASN 148 Cb 0.40 -0.46 0.03 0.00 -0.61 0.00 0.00 39.78 39.13 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 1.55 -0.52 3.60 7.41 0.00 -0.76 -4.98 105.19 111.49 3k4w n GLY 149 Ca 0.23 0.12 -0.40 0.00 0.00 0.00 0.00 46.02 45.98 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 -3.17 5.11 0.45 -0.61 1.01 -0.41 -4.60 121.20 118.98 3k4w s ILE 150 Ca 0.28 0.59 -0.22 0.00 0.00 0.00 0.00 60.65 61.30 3k4w s ILE 150 Cb -0.13 -3.80 -0.08 0.00 0.01 0.00 0.00 42.46 38.46 3k4w s ILE 150 CO 0.35 0.04 1.08 -2.84 0.00 0.00 0.00 174.94 173.57 3k4w s PRO 151 N 2.21 3.88 -0.13 2.79 0.02 -1.26 -4.60 135.00 137.92 3k4w s PRO 151 Ca 0.18 1.54 0.02 0.00 0.02 0.00 0.00 61.00 62.75 3k4w s PRO 151 Cb -0.16 -2.32 0.01 0.00 0.02 0.00 0.00 34.50 32.05 3k4w s PRO 151 CO 0.10 -0.39 -0.18 0.08 -0.33 0.00 0.00 177.00 176.29 3k4w s VAL 152 N -1.74 1.74 -0.09 3.83 1.01 -0.34 -2.46 120.40 122.36 3k4w s VAL 152 Ca 0.63 -0.78 -0.14 0.00 0.00 0.00 0.00 61.98 61.69 3k4w s VAL 152 Cb -0.22 -1.57 -0.05 0.00 0.00 0.00 0.00 36.38 34.54 3k4w s VAL 152 CO 0.27 0.49 0.33 -0.63 0.00 0.00 0.00 175.10 175.56 3k4w s ILE 153 N 0.97 5.22 -0.03 2.22 1.01 0.94 -1.01 121.20 130.52 3k4w s ILE 153 Ca -0.06 0.65 0.01 0.00 0.00 0.00 0.00 60.65 61.26 3k4w s ILE 153 Cb -0.15 -3.65 0.01 0.00 0.01 0.00 0.00 42.46 38.69 3k4w s ILE 153 CO -0.03 0.48 -0.05 0.00 0.00 0.00 0.00 174.94 175.34 3k4w s MET 154 N -0.26 0.74 -0.28 2.79 0.23 -0.41 -0.42 119.30 121.69 3k4w s MET 154 Ca 0.20 -0.14 -0.29 0.00 -1.03 0.00 0.00 55.69 54.43 3k4w s MET 154 Cb -0.14 -0.74 -0.00 0.00 -1.53 0.00 0.00 34.83 32.41 3k4w s MET 154 CO 0.08 -0.01 1.33 1.41 -2.03 0.00 0.00 175.02 175.80 3k4w s MET 155 N 0.60 3.92 -0.00 3.16 1.75 -0.75 -1.42 119.30 126.56 3k4w s MET 155 Ca -0.08 1.31 0.00 0.00 -1.25 0.00 0.00 55.69 55.67 3k4w s MET 155 Cb -0.11 -3.89 0.00 0.00 2.84 0.00 0.00 34.83 33.67 3k4w s MET 155 CO 0.00 -1.12 0.89 0.25 -0.65 0.00 0.00 175.02 174.39 3k4w n THR 156 N 6.19 0.02 -4.38 10.11 -2.24 -1.16 -4.80 114.28 118.03 3k4w n THR 156 Ca 0.15 -0.03 -0.19 0.00 -2.27 0.00 0.00 64.05 61.72 3k4w n THR 156 Cb 0.46 0.61 -0.10 0.00 -2.10 0.00 0.00 70.33 69.20 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 -0.79 1.94 0.00 3.38 0.00 -1.17 -4.04 107.32 106.64 3k4w s GLY 157 Ca 0.00 -1.88 0.00 0.00 0.00 0.00 0.00 44.72 42.85 3k4w s GLY 157 CO 0.00 -1.68 0.00 0.61 0.00 0.00 0.00 173.10 172.03 3k4w n GLY 158 N -0.58 0.98 2.83 0.20 0.00 0.86 -3.72 105.19 105.77 3k4w n GLY 158 Ca -0.01 -0.73 -0.42 0.00 0.00 0.00 0.00 46.02 44.86 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 -0.18 4.76 0.16 1.61 3.02 -1.26 -4.72 115.26 118.64 3k4w n ASN 159 Ca 0.00 -3.04 0.12 0.00 -0.03 0.00 0.00 54.58 51.63 3k4w n ASN 159 Cb 0.00 -1.53 0.23 0.00 -0.61 0.00 0.00 39.78 37.87 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 5.81 0.91 -2.84 5.41 0.00 -1.90 -3.47 119.26 123.18 3k4w h ALA 160 Ca 0.44 0.00 -0.07 0.00 0.00 0.00 0.00 54.91 55.28 3k4w h ALA 160 Cb 0.63 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 3k4w h ALA 160 CO 1.70 0.00 0.05 0.41 0.00 0.00 0.00 179.25 181.40 3k4w n GLY 161 N 1.20 1.97 0.28 0.00 0.00 -1.26 -3.40 105.19 103.98 3k4w n GLY 161 Ca 0.04 -1.29 0.16 0.00 0.00 0.00 0.00 46.02 44.93 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 -3.74 1.61 0.10 -1.92 -3.45 132.00 124.60 3k4w h PRO 162 Ca -0.15 0.00 -0.12 0.00 0.10 0.00 0.00 66.00 65.83 3k4w h PRO 162 Cb 0.61 0.00 -0.08 0.00 0.10 0.00 0.00 31.00 31.63 3k4w h PRO 162 CO 0.20 0.06 -0.11 0.16 0.10 0.00 0.00 178.00 178.42 3k4w s ASP 163 N -5.78 0.21 0.52 -2.05 1.47 -1.26 -5.04 116.67 104.74 3k4w s ASP 163 Ca -0.01 -1.12 0.30 0.00 1.18 0.00 0.00 52.55 52.90 3k4w s ASP 163 Cb 0.11 0.63 1.66 0.00 -0.34 0.00 0.00 42.92 44.98 3k4w s ASP 163 CO 0.54 -1.24 1.92 -0.29 0.68 0.00 0.00 175.17 176.78 3k4w h ILE 164 N 2.19 0.00 0.00 2.11 2.10 -1.95 -1.29 117.51 120.67 3k4w h ILE 164 Ca -0.27 0.00 -0.03 0.00 1.08 0.00 0.00 64.86 65.64 3k4w h ILE 164 Cb 1.25 0.68 -0.00 0.00 -1.09 0.00 0.00 36.82 37.65 3k4w h ILE 164 CO 0.37 0.00 -0.12 0.71 -1.08 0.00 0.00 178.15 178.03 3k4w h THR 165 N 0.00 0.93 0.00 2.19 1.35 -1.97 -1.35 112.91 114.06 3k4w h THR 165 Ca 0.00 -0.45 0.00 0.00 -0.55 0.00 0.00 66.41 65.41 3k4w h THR 165 Cb 0.24 1.25 0.00 0.00 -1.73 0.00 0.00 68.15 67.91 3k4w h THR 165 CO 0.00 0.12 0.00 -1.22 -0.25 0.00 0.00 175.52 174.17 3k4w n TYR 166 N -4.17 0.00 -0.10 4.73 4.01 -0.49 -2.45 117.16 118.70 3k4w n TYR 166 Ca -0.02 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.72 3k4w n TYR 166 Cb 0.20 -0.12 0.00 0.00 -0.31 0.00 0.00 39.34 39.12 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 -1.12 0.01 -1.63 -0.72 -2.24 -0.52 -4.80 114.28 103.26 3k4w n THR 167 Ca 0.10 -0.46 -0.49 0.00 -2.27 0.00 0.00 64.05 60.93 3k4w n THR 167 Cb 0.08 1.09 -0.05 0.00 -2.10 0.00 0.00 70.33 69.35 3k4w n THR 167 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 3k4w n ASN 168 N -0.01 2.37 0.01 3.42 2.85 -1.02 -4.82 115.26 118.05 3k4w n ASN 168 Ca 0.00 1.10 0.08 0.00 -0.11 0.00 0.00 54.58 55.65 3k4w n ASN 168 Cb 0.03 -1.30 0.35 0.00 1.24 0.00 0.00 39.78 40.10 3k4w n ASN 168 CO 0.00 0.00 0.00 -0.81 -2.11 0.00 0.00 177.26 174.34 3k4w n PRO 169 N 3.17 0.01 -0.29 1.20 -0.04 -1.26 -2.73 135.00 135.05 3k4w n PRO 169 Ca 0.18 0.23 0.09 0.00 -0.04 0.00 0.00 63.50 63.97 3k4w n PRO 169 Cb 0.23 -1.52 0.33 0.00 -0.04 0.00 0.00 33.50 32.50 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 0.79 0.97 0.54 4.11 -1.97 -1.84 114.58 117.18 3k4w h GLU 170 Ca 0.00 -0.05 -0.05 0.00 0.07 0.00 0.00 59.36 59.34 3k4w h GLU 170 Cb 0.28 -0.18 0.01 0.00 0.50 0.00 0.00 28.75 29.36 3k4w h GLU 170 CO 0.00 0.52 -0.48 0.45 0.07 0.00 0.00 179.01 179.57 3k4w h HIS 171 N 0.81 -1.26 -0.68 2.06 3.86 -1.89 -1.68 115.15 116.37 3k4w h HIS 171 Ca 0.45 -0.03 0.03 0.00 -1.16 0.00 0.00 60.37 59.66 3k4w h HIS 171 Cb 0.57 0.42 -0.04 0.00 1.06 0.00 0.00 27.41 29.43 3k4w h HIS 171 CO -0.00 -0.77 0.45 0.97 0.86 0.00 0.00 177.93 179.44 3k4w h ILE 172 N -1.33 1.10 -0.86 2.45 2.10 -1.78 -2.74 117.51 116.46 3k4w h ILE 172 Ca -0.13 -0.28 -0.02 0.00 1.08 0.00 0.00 64.86 65.51 3k4w h ILE 172 Cb 1.02 0.21 -0.04 0.00 -1.09 0.00 0.00 36.82 36.92 3k4w h ILE 172 CO 0.21 0.15 0.47 -0.78 -1.08 0.00 0.00 178.15 177.12 3k4w h ASP 173 N 0.82 1.06 -0.40 2.19 3.58 -1.02 -1.33 116.42 121.33 3k4w h ASP 173 Ca 0.27 -0.10 0.02 0.00 0.42 0.00 0.00 57.03 57.64 3k4w h ASP 173 Cb 0.06 -0.27 -0.03 0.00 1.72 0.00 0.00 39.33 40.81 3k4w h ASP 173 CO -0.07 0.85 0.23 0.03 -2.88 0.00 0.00 179.24 177.40 3k4w h ARG 174 N 1.19 0.46 -0.78 0.28 3.08 -1.10 -1.58 114.38 115.94 3k4w h ARG 174 Ca 0.30 -0.03 0.07 0.00 0.07 0.00 0.00 59.98 60.40 3k4w h ARG 174 Cb 0.02 -0.10 -0.06 0.00 0.08 0.00 0.00 29.97 29.90 3k4w h ARG 174 CO -0.05 0.31 0.45 0.28 -1.07 0.00 0.00 179.97 179.89 3k4w h VAL 175 N 0.48 0.96 -0.07 2.04 2.07 -1.13 0.11 116.25 120.70 3k4w h VAL 175 Ca 0.16 -0.27 -0.22 0.00 0.82 0.00 0.00 66.70 67.19 3k4w h VAL 175 Cb 0.00 0.10 0.01 0.00 -1.52 0.00 0.00 31.29 29.87 3k4w h VAL 175 CO -0.07 0.14 -0.84 -0.07 0.02 0.00 0.00 177.57 176.76 3k4w h LEU 176 N 0.79 0.69 -0.98 2.57 3.38 -0.99 -0.71 115.31 120.06 3k4w h LEU 176 Ca 0.36 -0.49 -0.03 0.00 0.09 0.00 0.00 57.88 57.81 3k4w h LEU 176 Cb 0.26 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.76 3k4w h LEU 176 CO -0.21 1.27 0.35 1.23 0.09 0.00 0.00 178.44 181.18 3k4w h GLY 177 N 0.93 1.16 1.83 0.83 0.00 -0.94 -3.10 103.07 103.79 3k4w h GLY 177 Ca -0.06 -0.57 0.00 0.00 0.00 0.00 0.00 47.33 46.70 3k4w h GLY 177 CO 0.16 0.54 -0.16 -0.55 0.00 0.00 0.00 176.54 176.52 3k4w h ASP 178 N 1.07 0.00 -2.27 0.19 3.32 -0.46 -3.37 116.42 114.90 3k4w h ASP 178 Ca 0.26 -0.00 -0.58 0.00 0.02 0.00 0.00 57.03 56.72 3k4w h ASP 178 Cb 0.12 0.00 -0.40 0.00 0.22 0.00 0.00 39.33 39.27 3k4w h ASP 178 CO -0.03 0.00 -0.88 0.49 -1.72 0.00 0.00 179.24 177.10 3k4w n PHE 179 N -2.99 0.98 0.79 4.55 3.72 -0.30 -4.98 117.46 119.22 3k4w n PHE 179 Ca 0.03 -3.75 0.10 0.00 -0.05 0.00 0.00 57.45 53.79 3k4w n PHE 179 Cb 0.53 -0.30 0.47 0.00 -0.94 0.00 0.00 39.48 39.24 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 1.65 0.05 -0.47 -1.08 -0.04 -1.19 -1.63 135.00 132.29 3k4w n PRO 180 Ca 0.25 0.12 0.08 0.00 -0.04 0.00 0.00 63.50 63.91 3k4w n PRO 180 Cb 0.47 -1.50 0.27 0.00 -0.04 0.00 0.00 33.50 32.70 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 -1.46 4.04 -4.73 3.54 8.00 -1.26 -4.73 116.55 119.95 3k4w n ASP 181 Ca 0.06 -2.78 -0.35 0.00 0.71 0.00 0.00 54.79 52.43 3k4w n ASP 181 Cb 0.24 -0.51 -0.08 0.00 -0.02 0.00 0.00 41.12 40.75 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 -2.41 4.21 -0.22 0.64 2.96 -0.65 -4.91 118.68 118.30 3k4w s LEU 182 Ca 0.41 0.27 -0.26 0.00 -0.22 0.00 0.00 54.13 54.34 3k4w s LEU 182 Cb 0.31 -2.13 -0.00 0.00 0.50 0.00 0.00 46.19 44.86 3k4w s LEU 182 CO 0.12 0.17 0.88 -0.89 -1.32 0.00 0.00 176.35 175.31 3k4w s THR 183 N 0.38 4.81 -0.03 3.68 2.01 -1.26 -4.70 115.64 120.53 3k4w s THR 183 Ca 0.09 1.70 0.05 0.00 0.31 0.00 0.00 61.69 63.85 3k4w s THR 183 Cb -0.11 -4.17 -0.01 0.00 0.01 0.00 0.00 72.50 68.22 3k4w s THR 183 CO -0.01 -0.08 -0.19 -0.69 -0.69 0.00 0.00 174.62 172.96 3k4w s VAL 184 N 2.78 1.52 -0.18 3.82 1.01 -0.86 -1.19 120.40 127.30 3k4w s VAL 184 Ca 0.38 -0.79 -0.02 0.00 0.00 0.00 0.00 61.98 61.55 3k4w s VAL 184 Cb -0.15 -1.28 -0.01 0.00 0.00 0.00 0.00 36.38 34.94 3k4w s VAL 184 CO 0.08 0.43 -0.09 -0.69 0.00 0.00 0.00 175.10 174.83 3k4w s VAL 185 N -0.21 3.12 -0.45 2.92 1.01 -0.18 0.12 120.40 126.73 3k4w s VAL 185 Ca 0.02 -0.60 -0.21 0.00 0.00 0.00 0.00 61.98 61.18 3k4w s VAL 185 Cb -0.10 -2.37 0.03 0.00 0.00 0.00 0.00 36.38 33.95 3k4w s VAL 185 CO 0.01 0.48 0.69 -0.55 0.00 0.00 0.00 175.10 175.73 3k4w s SER 186 N 0.97 6.34 0.23 3.32 0.15 -0.10 -1.29 113.70 123.31 3k4w s SER 186 Ca -0.01 -0.34 -0.29 0.00 0.70 0.00 0.00 55.95 56.00 3k4w s SER 186 Cb -0.15 -2.34 -0.09 0.00 -1.71 0.00 0.00 66.02 61.74 3k4w s SER 186 CO -0.01 -0.85 0.92 -0.94 1.20 0.00 0.00 173.24 173.57 3k4w s SER 187 N 2.14 7.61 0.00 5.45 1.04 -0.51 -1.90 113.70 127.54 3k4w s SER 187 Ca 0.24 1.91 0.00 0.00 0.48 0.00 0.00 55.95 58.58 3k4w s SER 187 Cb -0.14 -2.60 0.00 0.00 0.10 0.00 0.00 66.02 63.39 3k4w s SER 187 CO 0.19 0.16 0.00 1.41 0.98 0.00 0.00 173.24 175.98 3k4w n HIS 188 N 1.55 0.00 -1.40 5.02 8.25 0.43 -2.99 115.22 126.08 3k4w n HIS 188 Ca -0.02 0.00 -0.14 0.00 -0.26 0.00 0.00 57.72 57.30 3k4w n HIS 188 Cb 0.47 -0.32 -0.06 0.00 1.12 0.00 0.00 29.99 31.21 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 -2.07 1.35 2.52 -1.41 0.00 -0.86 -1.56 105.19 103.16 3k4w n GLY 189 Ca 0.00 -0.05 -0.20 0.00 0.00 0.00 0.00 46.02 45.77 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 -1.11 -5.56 -4.72 1.61 5.15 -1.26 -4.88 115.26 104.49 3k4w n ASN 190 Ca -0.14 0.33 -0.42 0.00 -0.60 0.00 0.00 54.58 53.74 3k4w n ASN 190 Cb 0.59 -4.76 -0.01 0.00 -0.53 0.00 0.00 39.78 35.07 3k4w n ASN 190 CO 0.00 0.00 0.00 1.87 1.40 0.00 0.00 177.26 180.53 3k4w n TRP 191 N -2.95 2.55 0.62 1.20 -0.00 -0.60 -1.20 117.44 117.06 3k4w n TRP 191 Ca -0.22 0.43 0.08 0.00 -0.00 0.00 0.00 57.50 57.80 3k4w n TRP 191 Cb 0.67 -2.49 0.24 0.00 -0.00 0.00 0.00 31.31 29.73 3k4w n TRP 191 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 177.69 177.34 3k4w n PRO 192 N 1.21 2.06 -1.78 5.87 -0.04 -1.26 -0.10 135.00 140.96 3k4w n PRO 192 Ca 0.06 -1.63 -0.35 0.00 -0.04 0.00 0.00 63.50 61.54 3k4w n PRO 192 Cb 0.36 -1.38 -0.03 0.00 -0.04 0.00 0.00 33.50 32.41 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 0.83 2.17 -0.07 0.54 7.02 -0.34 -4.69 117.44 122.90 3k4w n TRP 193 Ca 0.16 -2.48 -0.14 0.00 -1.02 0.00 0.00 57.50 54.03 3k4w n TRP 193 Cb 0.40 -1.68 -0.06 0.00 -2.42 0.00 0.00 31.31 27.56 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 2.37 1.33 -0.63 -0.99 2.07 -1.90 0.15 116.25 118.65 3k4w h VAL 194 Ca 0.58 -1.46 0.13 0.00 0.82 0.00 0.00 66.70 66.77 3k4w h VAL 194 Cb 0.48 1.76 -0.10 0.00 -1.52 0.00 0.00 31.29 31.92 3k4w h VAL 194 CO 1.24 0.45 0.08 1.56 0.02 0.00 0.00 177.57 180.91 3k4w h GLN 195 N 0.25 0.18 -0.11 1.57 4.20 -1.95 -2.64 115.11 116.61 3k4w h GLN 195 Ca 0.03 -0.01 -0.03 0.00 0.06 0.00 0.00 58.65 58.70 3k4w h GLN 195 Cb 0.84 -0.04 -0.00 0.00 0.30 0.00 0.00 27.48 28.57 3k4w h GLN 195 CO 0.06 0.12 -0.05 0.93 -0.67 0.00 0.00 178.83 179.23 3k4w h GLU 196 N 0.19 0.22 -0.11 1.46 3.07 -1.86 -3.14 114.58 114.40 3k4w h GLU 196 Ca 0.34 -0.09 0.03 0.00 -0.50 0.00 0.00 59.36 59.14 3k4w h GLU 196 Cb 0.54 -0.01 -0.00 0.00 -0.84 0.00 0.00 28.75 28.44 3k4w h GLU 196 CO -0.48 0.56 0.10 0.97 -1.40 0.00 0.00 179.01 178.76 3k4w h ILE 197 N -0.13 0.65 -0.27 3.13 6.09 -0.40 -1.24 117.51 125.33 3k4w h ILE 197 Ca 0.02 0.00 -0.18 0.00 -1.37 0.00 0.00 64.86 63.34 3k4w h ILE 197 Cb 0.49 0.92 -0.00 0.00 0.47 0.00 0.00 36.82 38.70 3k4w h ILE 197 CO 0.01 0.00 -0.53 0.40 -3.07 0.00 0.00 178.15 174.96 3k4w h ILE 198 N 0.00 1.28 -0.42 2.19 1.08 -1.43 0.21 117.51 120.43 3k4w h ILE 198 Ca 0.05 -1.73 0.03 0.00 -0.39 0.00 0.00 64.86 62.82 3k4w h ILE 198 Cb 0.26 1.64 -0.03 0.00 -3.07 0.00 0.00 36.82 35.62 3k4w h ILE 198 CO -0.00 0.56 0.22 -0.74 -0.69 0.00 0.00 178.15 177.50 3k4w h HIS 199 N 0.62 0.42 -0.35 1.37 -0.00 -1.25 -0.31 115.15 115.64 3k4w h HIS 199 Ca 0.02 0.02 0.05 0.00 -0.00 0.00 0.00 60.37 60.45 3k4w h HIS 199 Cb 1.12 -0.13 -0.04 0.00 -0.00 0.00 0.00 27.41 28.36 3k4w h HIS 199 CO 0.06 0.23 0.09 0.28 -0.00 0.00 0.00 177.93 178.59 3k4w h VAL 200 N 0.45 0.85 -0.86 5.26 2.07 -1.04 0.16 116.25 123.14 3k4w h VAL 200 Ca 0.17 -0.08 -0.03 0.00 0.82 0.00 0.00 66.70 67.59 3k4w h VAL 200 Cb 0.05 0.61 -0.04 0.00 -1.52 0.00 0.00 31.29 30.39 3k4w h VAL 200 CO -0.10 0.04 0.42 0.00 0.02 0.00 0.00 177.57 177.95 3k4w h ALA 201 N 1.25 1.11 -0.17 1.67 0.00 -0.79 0.36 119.26 122.69 3k4w h ALA 201 Ca 0.17 -0.16 0.03 0.00 0.00 0.00 0.00 54.91 54.94 3k4w h ALA 201 Cb 0.17 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 17.59 3k4w h ALA 201 CO -0.20 0.67 0.00 0.35 0.00 0.00 0.00 179.25 180.07 3k4w h PHE 202 N 1.23 -0.01 -0.18 0.00 3.57 -0.36 -3.02 116.94 118.17 3k4w h PHE 202 Ca 0.30 0.01 -0.18 0.00 3.53 0.00 0.00 57.97 61.63 3k4w h PHE 202 Cb 0.11 0.03 -0.00 0.00 2.79 0.00 0.00 35.95 38.87 3k4w h PHE 202 CO 0.01 -0.02 -0.62 -0.09 -2.23 0.00 0.00 178.31 175.37 3k4w h ARG 203 N 0.06 0.62 -4.41 1.11 2.43 -0.31 -3.43 114.38 110.45 3k4w h ARG 203 Ca 0.08 -0.43 -0.71 0.00 -0.81 0.00 0.00 59.98 58.11 3k4w h ARG 203 Cb 0.10 0.06 -0.32 0.00 -0.42 0.00 0.00 29.97 29.39 3k4w h ARG 203 CO -0.13 1.05 -0.48 1.03 -1.51 0.00 0.00 179.97 179.92 3k4w s ARG 204 N -3.91 2.19 0.13 0.20 1.81 0.12 -4.96 118.95 114.54 3k4w s ARG 204 Ca -0.08 -1.80 0.19 0.00 -1.72 0.00 0.00 55.73 52.32 3k4w s ARG 204 Cb 0.11 -3.72 0.79 0.00 -0.45 0.00 0.00 34.95 31.68 3k4w s ARG 204 CO 0.86 -1.12 1.58 -0.35 -0.68 0.00 0.00 175.30 175.58 3k4w n PRO 205 N 4.72 0.10 -0.51 3.54 -0.04 -1.26 -2.47 135.00 139.08 3k4w n PRO 205 Ca -0.04 0.35 0.10 0.00 -0.04 0.00 0.00 63.50 63.86 3k4w n PRO 205 Cb 0.41 -1.69 0.33 0.00 -0.04 0.00 0.00 33.50 32.51 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 -1.87 4.38 -4.73 3.54 3.02 -1.26 -4.95 115.26 113.39 3k4w n ASN 206 Ca 0.03 -2.30 -0.38 0.00 -0.03 0.00 0.00 54.58 51.90 3k4w n ASN 206 Cb 0.19 -0.53 -0.06 0.00 -0.61 0.00 0.00 39.78 38.78 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 -1.56 4.31 -0.07 3.41 2.96 -1.03 -2.02 118.68 124.68 3k4w s LEU 207 Ca 0.49 0.94 0.03 0.00 -0.22 0.00 0.00 54.13 55.36 3k4w s LEU 207 Cb 0.29 -2.80 -0.02 0.00 0.50 0.00 0.00 46.19 44.16 3k4w s LEU 207 CO 0.26 0.01 -0.14 -0.31 -1.32 0.00 0.00 176.35 174.85 3k4w s TYR 208 N 0.47 2.73 0.03 5.38 2.02 0.12 -4.90 117.35 123.20 3k4w s TYR 208 Ca 0.29 -0.27 0.04 0.00 -0.37 0.00 0.00 57.07 56.76 3k4w s TYR 208 Cb -0.16 -1.68 -0.04 0.00 -0.40 0.00 0.00 41.96 39.68 3k4w s TYR 208 CO 0.13 0.09 -0.07 -0.51 -1.57 0.00 0.00 175.55 173.62 3k4w s LEU 209 N -0.47 3.16 -0.37 -1.29 1.43 -0.08 -0.92 118.68 120.13 3k4w s LEU 209 Ca 0.06 -0.20 0.02 0.00 -1.03 0.00 0.00 54.13 52.98 3k4w s LEU 209 Cb -0.12 -1.85 0.15 0.00 0.03 0.00 0.00 46.19 44.40 3k4w s LEU 209 CO 0.02 0.25 0.27 -0.55 0.23 0.00 0.00 176.35 176.57 3k4w s SER 210 N -1.64 2.26 0.51 2.29 0.15 -0.80 -1.08 113.70 115.40 3k4w s SER 210 Ca 0.19 -2.32 0.29 0.00 0.70 0.00 0.00 55.95 54.81 3k4w s SER 210 Cb -0.11 -0.24 1.23 0.00 -1.71 0.00 0.00 66.02 65.19 3k4w s SER 210 CO 0.10 -0.26 1.94 1.55 1.20 0.00 0.00 173.24 177.76 3k4w h PRO 211 N 6.64 0.00 0.00 5.44 0.13 -1.79 0.14 132.00 142.55 3k4w h PRO 211 Ca 0.11 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 3k4w h PRO 211 Cb 0.97 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.10 3k4w h PRO 211 CO 0.27 0.11 0.00 -0.40 -0.23 0.00 0.00 178.00 177.75 3k4w n ASP 212 N -3.27 0.00 -0.32 1.44 5.68 -1.26 -1.33 116.55 117.48 3k4w n ASP 212 Ca 0.00 0.00 0.22 0.00 -0.50 0.00 0.00 54.79 54.51 3k4w n ASP 212 Cb 0.34 0.00 0.49 0.00 -1.14 0.00 0.00 41.12 40.81 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 0.42 0.00 0.11 -0.00 -1.75 -2.24 114.93 111.47 3k4w h MET 213 Ca 0.00 -0.02 0.00 0.00 -0.00 0.00 0.00 59.70 59.68 3k4w h MET 213 Cb 0.00 -0.09 0.00 0.00 -0.00 0.00 0.00 31.60 31.51 3k4w h MET 213 CO 0.00 0.27 0.00 0.66 -0.00 0.00 0.00 176.91 177.84 3k4w n TYR 214 N -4.64 0.00 0.19 -0.10 4.01 -0.44 -2.33 117.16 113.85 3k4w n TYR 214 Ca 0.25 0.00 0.07 0.00 -0.16 0.00 0.00 57.90 58.06 3k4w n TYR 214 Cb 0.84 -0.10 0.28 0.00 -0.31 0.00 0.00 39.34 40.04 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 0.00 -8.80 7.72 5.85 -1.51 -3.42 115.31 115.15 3k4w h LEU 215 Ca 0.00 0.00 -0.59 0.00 0.84 0.00 0.00 57.88 58.13 3k4w h LEU 215 Cb 0.06 0.00 -0.09 0.00 0.37 0.00 0.00 40.66 41.00 3k4w h LEU 215 CO 0.00 0.33 0.67 -0.47 -0.34 0.00 0.00 178.44 178.63 3k4w s TYR 216 N -3.39 3.02 -1.46 1.25 5.04 -0.98 -4.21 117.35 116.62 3k4w s TYR 216 Ca 0.02 0.73 -0.12 0.00 -2.44 0.00 0.00 57.07 55.26 3k4w s TYR 216 Cb 0.09 -3.83 0.09 0.00 0.35 0.00 0.00 41.96 38.66 3k4w s TYR 216 CO 0.68 -0.94 0.72 -1.71 -1.34 0.00 0.00 175.55 172.96 3k4w n ASN 217 N 7.01 -4.26 -4.30 4.32 5.15 -1.26 -4.97 115.26 116.95 3k4w n ASN 217 Ca 0.08 -0.61 -0.16 0.00 -0.60 0.00 0.00 54.58 53.29 3k4w n ASN 217 Cb 0.48 -3.46 -0.10 0.00 -0.53 0.00 0.00 39.78 36.17 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 -6.90 1.88 0.59 1.20 1.43 -1.26 -5.10 118.68 110.53 3k4w s LEU 218 Ca 0.54 -1.30 -0.20 0.00 -1.03 0.00 0.00 54.13 52.14 3k4w s LEU 218 Cb -0.28 -0.06 -0.03 0.00 0.03 0.00 0.00 46.19 45.85 3k4w s LEU 218 CO 0.66 -0.65 1.33 -2.84 0.23 0.00 0.00 176.35 175.09 3k4w s PRO 219 N -3.97 2.86 0.00 1.29 0.02 -1.26 -1.92 135.00 132.01 3k4w s PRO 219 Ca 0.32 2.15 0.00 0.00 0.02 0.00 0.00 61.00 63.50 3k4w s PRO 219 Cb 0.07 -2.06 0.00 0.00 0.02 0.00 0.00 34.50 32.53 3k4w s PRO 219 CO 0.10 -1.39 0.00 0.41 -0.33 0.00 0.00 177.00 175.79 3k4w n GLY 220 N 0.80 3.11 0.36 0.52 0.00 -1.26 -4.96 105.19 103.76 3k4w n GLY 220 Ca 0.13 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.06 3k4w n GLY 220 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 3k4w n HIS 221 N -1.33 -0.38 -0.24 1.61 -0.00 -0.81 -0.32 115.22 113.74 3k4w n HIS 221 Ca 0.00 1.07 0.02 0.00 -0.00 0.00 0.00 57.72 58.80 3k4w n HIS 221 Cb 0.00 -0.57 0.14 0.00 -0.00 0.00 0.00 29.99 29.56 3k4w n HIS 221 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 3k4w h ALA 222 N 0.35 0.98 -0.16 1.57 0.00 -1.93 -1.49 119.26 118.58 3k4w h ALA 222 Ca 0.14 0.06 0.05 0.00 0.00 0.00 0.00 54.91 55.15 3k4w h ALA 222 Cb 0.35 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 18.05 3k4w h ALA 222 CO -0.80 -0.06 -0.15 -0.44 0.00 0.00 0.00 179.25 177.80 3k4w h ASP 223 N 0.59 -0.49 -0.71 0.00 3.32 -1.72 0.19 116.42 117.60 3k4w h ASP 223 Ca 0.35 0.09 0.03 0.00 0.02 0.00 0.00 57.03 57.53 3k4w h ASP 223 Cb 0.38 0.24 -0.04 0.00 0.22 0.00 0.00 39.33 40.13 3k4w h ASP 223 CO -0.28 -0.20 0.45 -0.26 -1.72 0.00 0.00 179.24 177.23 3k4w h PHE 224 N -0.18 0.84 -0.23 4.55 0.04 -0.18 -2.07 116.94 119.71 3k4w h PHE 224 Ca 0.11 0.02 -0.09 0.00 2.80 0.00 0.00 57.97 60.80 3k4w h PHE 224 Cb 0.33 -0.27 -0.00 0.00 2.20 0.00 0.00 35.95 38.20 3k4w h PHE 224 CO -0.29 0.48 -0.22 0.82 -0.60 0.00 0.00 178.31 178.50 3k4w h ILE 225 N 0.87 1.32 -0.43 -0.55 1.08 -0.94 0.24 117.51 119.11 3k4w h ILE 225 Ca 0.29 -1.38 0.03 0.00 -0.39 0.00 0.00 64.86 63.40 3k4w h ILE 225 Cb 0.02 1.69 -0.03 0.00 -3.07 0.00 0.00 36.82 35.43 3k4w h ILE 225 CO -0.11 0.43 0.23 -0.61 -0.69 0.00 0.00 178.15 177.40 3k4w h GLN 226 N 0.26 0.45 -0.38 2.37 4.15 -0.64 -0.61 115.11 120.71 3k4w h GLN 226 Ca 0.04 -0.03 -0.13 0.00 0.77 0.00 0.00 58.65 59.30 3k4w h GLN 226 Cb 0.77 -0.10 -0.01 0.00 0.21 0.00 0.00 27.48 28.35 3k4w h GLN 226 CO 0.06 0.30 -0.29 0.00 -1.93 0.00 0.00 178.83 176.97 3k4w h ALA 227 N 1.21 0.76 -0.42 3.38 0.00 -1.15 -2.08 119.26 120.95 3k4w h ALA 227 Ca 0.18 -0.41 0.12 0.00 0.00 0.00 0.00 54.91 54.80 3k4w h ALA 227 Cb 0.05 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 3k4w h ALA 227 CO -0.10 0.66 0.33 0.00 0.00 0.00 0.00 179.25 180.14 3k4w h ALA 228 N 0.96 2.29 -0.01 0.00 0.00 0.26 0.99 119.26 123.75 3k4w h ALA 228 Ca 0.08 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3k4w h ALA 228 Cb 0.84 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.66 3k4w h ALA 228 CO 0.07 -0.55 -0.02 0.09 0.00 0.00 0.00 179.25 178.85 3k4w n ASN 229 N -4.19 0.72 0.00 0.00 3.02 -0.31 -3.61 115.26 110.89 3k4w n ASN 229 Ca 0.07 -1.15 0.00 0.00 -0.03 0.00 0.00 54.58 53.47 3k4w n ASN 229 Cb 0.52 -0.01 0.00 0.00 -0.61 0.00 0.00 39.78 39.68 3k4w n ASN 229 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 3k4w n SER 230 N -0.49 0.00 0.16 6.41 2.88 0.29 -4.96 113.62 117.92 3k4w n SER 230 Ca 0.20 0.00 0.07 0.00 -1.33 0.00 0.00 58.87 57.81 3k4w n SER 230 Cb 0.24 0.00 0.56 0.00 -0.75 0.00 0.00 64.21 64.26 3k4w n SER 230 CO 0.00 0.00 0.00 2.19 -1.23 0.00 0.00 175.04 176.00 3k4w h PHE 231 N 0.00 0.19 0.00 0.66 -5.15 -1.88 -1.01 116.94 109.75 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 -0.06 0.00 0.00 0.22 0.00 0.00 35.95 36.11 3k4w h PHE 231 CO 0.00 0.12 0.00 -0.11 -2.00 0.00 0.00 178.31 176.32 3k4w n LEU 232 N -4.52 0.00 0.14 2.10 7.94 -0.90 -3.59 117.00 118.17 3k4w n LEU 232 Ca -0.01 0.00 0.12 0.00 -1.11 0.00 0.00 56.01 55.01 3k4w n LEU 232 Cb 0.08 0.00 0.64 0.00 0.53 0.00 0.00 43.42 44.67 3k4w n LEU 232 CO 0.34 0.00 1.12 0.00 -1.11 0.00 0.00 177.39 177.74 3k4w h ALA 233 N 3.26 2.16 -0.02 1.96 0.00 -1.24 -1.95 119.26 123.42 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3k4w h ALA 233 CO 0.00 -0.22 -0.04 -0.25 0.00 0.00 0.00 179.25 178.74 3k4w n ASP 234 N -4.48 2.22 -0.77 0.00 8.00 -1.24 -4.29 116.55 115.99 3k4w n ASP 234 Ca 0.02 -1.71 0.01 0.00 0.71 0.00 0.00 54.79 53.82 3k4w n ASP 234 Cb 0.28 0.03 0.00 0.00 -0.02 0.00 0.00 41.12 41.42 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 0.68 0.00 -4.22 -1.24 1.74 -0.83 -4.85 116.66 107.95 3k4w n ARG 235 Ca 0.16 -1.22 -0.30 0.00 -0.77 0.00 0.00 57.85 55.72 3k4w n ARG 235 Cb 0.48 -0.33 -0.10 0.00 -1.02 0.00 0.00 32.46 31.49 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 0.00 2.14 -0.09 5.56 1.75 -0.80 -0.90 119.30 126.96 3k4w s MET 236 Ca 0.09 -1.02 0.02 0.00 -1.25 0.00 0.00 55.69 53.53 3k4w s MET 236 Cb 0.10 -2.31 0.01 0.00 2.84 0.00 0.00 34.83 35.47 3k4w s MET 236 CO -0.04 0.51 -0.13 -0.51 -0.65 0.00 0.00 175.02 174.19 3k4w s LEU 237 N -2.23 1.63 0.33 4.11 1.43 -0.24 -4.43 118.68 119.28 3k4w s LEU 237 Ca 0.22 -0.36 -0.28 0.00 -1.03 0.00 0.00 54.13 52.67 3k4w s LEU 237 Cb -0.11 -0.95 -0.10 0.00 0.03 0.00 0.00 46.19 45.06 3k4w s LEU 237 CO 0.14 0.01 1.26 0.12 0.23 0.00 0.00 176.35 178.11 3k4w s PHE 238 N 0.92 3.12 -0.11 0.29 5.36 -0.76 -4.45 117.98 122.36 3k4w s PHE 238 Ca -0.09 1.47 -0.30 0.00 -0.96 0.00 0.00 56.93 57.06 3k4w s PHE 238 Cb -0.15 -3.59 0.12 0.00 -0.34 0.00 0.00 43.02 39.05 3k4w s PHE 238 CO 0.00 -1.61 0.95 0.20 -1.46 0.00 0.00 175.22 173.30 3k4w s GLY 239 N -0.62 -0.34 -0.02 13.12 0.00 -1.26 -1.22 107.32 116.98 3k4w s GLY 239 Ca 0.49 1.70 0.16 0.00 0.00 0.00 0.00 44.72 47.07 3k4w s GLY 239 CO 0.50 0.83 0.35 -1.30 0.00 0.00 0.00 173.10 173.48 3k4w n THR 240 N 0.47 0.00 -1.75 0.90 -2.24 -1.26 -4.18 114.28 106.22 3k4w n THR 240 Ca -0.10 -0.35 -0.17 0.00 -2.27 0.00 0.00 64.05 61.16 3k4w n THR 240 Cb 0.59 0.18 -0.05 0.00 -2.10 0.00 0.00 70.33 68.95 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 -2.01 -0.33 -1.55 6.98 0.00 -0.17 -3.77 120.51 119.67 3k4w n ALA 241 Ca -0.03 0.23 -0.49 0.00 0.00 0.00 0.00 53.44 53.16 3k4w n ALA 241 Cb 0.40 -1.80 -0.04 0.00 0.00 0.00 0.00 19.45 18.01 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 -2.97 0.96 1.70 0.00 9.36 -1.09 0.21 117.16 125.33 3k4w n TYR 242 Ca -0.18 0.76 0.08 0.00 3.32 0.00 0.00 57.90 61.88 3k4w n TYR 242 Cb 0.59 -2.21 0.40 0.00 -0.63 0.00 0.00 39.34 37.49 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 1.39 1.27 -0.24 2.98 -0.04 -1.26 -0.43 135.00 138.67 3k4w n PRO 243 Ca 0.15 -0.40 -0.05 0.00 -0.04 0.00 0.00 63.50 63.16 3k4w n PRO 243 Cb 0.25 -1.28 0.06 0.00 -0.04 0.00 0.00 33.50 32.49 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 0.78 0.86 -6.42 0.54 2.86 -0.53 -3.42 114.93 109.61 3k4w h MET 244 Ca 0.00 -0.05 -0.67 0.00 -2.06 0.00 0.00 59.70 56.92 3k4w h MET 244 Cb 0.17 -0.20 -0.16 0.00 0.06 0.00 0.00 31.60 31.48 3k4w h MET 244 CO 0.00 0.57 -0.71 0.00 1.06 0.00 0.00 176.91 177.83 3k4w s PRO 246 N -1.92 4.70 0.09 0.00 0.04 -1.26 -4.08 135.00 132.57 3k4w s PRO 246 Ca 0.21 1.70 -0.23 0.00 0.04 0.00 0.00 61.00 62.71 3k4w s PRO 246 Cb -0.11 -3.20 -0.14 0.00 0.04 0.00 0.00 34.50 31.09 3k4w s PRO 246 CO 0.12 0.30 1.73 -0.07 0.04 0.00 0.00 177.00 179.13 3k4w h LEU 247 N 3.89 -0.04 0.80 -3.56 3.38 -1.96 -2.31 115.31 115.51 3k4w h LEU 247 Ca -0.46 0.01 -0.04 0.00 0.09 0.00 0.00 57.88 57.48 3k4w h LEU 247 Cb 1.21 0.02 0.01 0.00 0.09 0.00 0.00 40.66 41.99 3k4w h LEU 247 CO 0.67 -0.02 -0.38 0.50 0.09 0.00 0.00 178.44 179.29 3k4w h LYS 248 N -0.03 -1.03 -0.52 1.13 3.64 -1.93 -1.65 116.57 116.18 3k4w h LYS 248 Ca 0.01 0.07 -0.01 0.00 -1.27 0.00 0.00 60.65 59.45 3k4w h LYS 248 Cb 0.04 0.24 -0.02 0.00 -0.41 0.00 0.00 32.23 32.07 3k4w h LYS 248 CO -0.02 -0.68 0.29 0.93 -2.27 0.00 0.00 179.45 177.70 3k4w h GLU 249 N -1.24 0.72 -0.35 1.90 3.07 -1.98 0.26 114.58 116.95 3k4w h GLU 249 Ca -0.11 -0.08 -0.01 0.00 -0.50 0.00 0.00 59.36 58.66 3k4w h GLU 249 Cb 0.83 -0.14 -0.02 0.00 -0.84 0.00 0.00 28.75 28.58 3k4w h GLU 249 CO 0.18 0.55 0.17 -0.92 -1.40 0.00 0.00 179.01 177.59 3k4w h TYR 250 N 0.69 0.50 -0.43 4.33 3.20 -1.45 -1.95 116.97 121.85 3k4w h TYR 250 Ca 0.18 -0.02 -0.02 0.00 3.14 0.00 0.00 58.73 62.01 3k4w h TYR 250 Cb 0.03 -0.16 -0.02 0.00 1.54 0.00 0.00 36.73 38.13 3k4w h TYR 250 CO -0.02 0.42 0.19 1.15 -1.64 0.00 0.00 178.16 178.26 3k4w h THR 251 N 0.43 1.19 -1.01 1.81 2.02 -0.99 -1.01 112.91 115.36 3k4w h THR 251 Ca 0.12 -0.58 0.01 0.00 0.77 0.00 0.00 66.41 66.73 3k4w h THR 251 Cb 0.10 0.77 -0.05 0.00 -1.74 0.00 0.00 68.15 67.24 3k4w h THR 251 CO -0.02 0.22 0.67 -0.33 0.37 0.00 0.00 175.52 176.43 3k4w h GLU 252 N 0.56 1.33 -0.20 6.66 5.08 -0.93 -1.36 114.58 125.72 3k4w h GLU 252 Ca 0.15 -0.08 -0.01 0.00 -1.00 0.00 0.00 59.36 58.41 3k4w h GLU 252 Cb 0.17 -0.30 -0.01 0.00 0.50 0.00 0.00 28.75 29.11 3k4w h GLU 252 CO -0.01 0.88 0.07 2.35 -1.00 0.00 0.00 179.01 181.30 3k4w h TRP 253 N 1.37 0.31 -0.44 4.33 7.01 -1.24 -3.19 115.95 124.09 3k4w h TRP 253 Ca 0.37 -0.03 0.05 0.00 2.11 0.00 0.00 58.89 61.40 3k4w h TRP 253 Cb -0.16 -0.09 -0.05 0.00 -2.10 0.00 0.00 29.16 26.76 3k4w h TRP 253 CO -0.00 0.37 0.17 0.35 -2.79 0.00 0.00 178.44 176.54 3k4w h PHE 254 N 0.16 0.31 0.00 2.65 3.57 -0.87 -1.86 116.94 120.90 3k4w h PHE 254 Ca 0.07 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.59 3k4w h PHE 254 Cb 0.19 -0.07 0.00 0.00 2.79 0.00 0.00 35.95 38.86 3k4w h PHE 254 CO -0.01 0.13 0.00 -0.07 -2.23 0.00 0.00 178.31 176.13 3k4w h LEU 255 N 0.35 0.00 -0.78 0.59 3.38 -1.34 -1.93 115.31 115.58 3k4w h LEU 255 Ca 0.20 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.17 3k4w h LEU 255 Cb 0.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.93 3k4w h LEU 255 CO -0.19 0.00 -0.10 0.35 0.09 0.00 0.00 178.44 178.59 3k4w n THR 256 N -2.92 0.00 -2.05 0.22 -2.24 -0.70 -4.96 114.28 101.63 3k4w n THR 256 Ca -0.02 -0.20 -0.33 0.00 -2.27 0.00 0.00 64.05 61.22 3k4w n THR 256 Cb 0.08 0.46 0.01 0.00 -2.10 0.00 0.00 70.33 68.79 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 -2.20 3.53 -1.41 3.22 1.43 -0.73 -4.93 118.68 117.59 3k4w s LEU 257 Ca 0.33 1.89 -0.11 0.00 -1.03 0.00 0.00 54.13 55.20 3k4w s LEU 257 Cb 0.20 -4.54 0.08 0.00 0.03 0.00 0.00 46.19 41.96 3k4w s LEU 257 CO 0.41 -1.22 2.23 -0.81 0.23 0.00 0.00 176.35 177.19 3k4w n PRO 258 N -1.96 3.46 -4.47 1.29 -0.04 -1.26 -4.86 135.00 127.16 3k4w n PRO 258 Ca 0.09 -2.97 -0.34 0.00 -0.04 0.00 0.00 63.50 60.25 3k4w n PRO 258 Cb 0.52 -3.01 -0.14 0.00 -0.04 0.00 0.00 33.50 30.83 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 1.53 3.22 0.45 0.52 1.01 -1.26 -4.95 121.20 121.72 3k4w s ILE 259 Ca 0.49 -0.58 -0.24 0.00 0.00 0.00 0.00 60.65 60.31 3k4w s ILE 259 Cb 0.14 -2.39 -0.09 0.00 0.01 0.00 0.00 42.46 40.12 3k4w s ILE 259 CO -0.05 0.49 1.09 2.29 0.00 0.00 0.00 174.94 178.76 3k4w n LYS 260 N 3.90 1.47 0.21 2.79 2.85 -1.26 -4.60 118.16 123.52 3k4w n LYS 260 Ca -0.18 0.53 0.05 0.00 -1.05 0.00 0.00 58.31 57.66 3k4w n LYS 260 Cb 0.52 -2.17 0.50 0.00 -0.65 0.00 0.00 35.03 33.23 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 1.57 0.06 0.00 -1.58 0.11 -1.99 0.14 132.00 130.30 3k4w h PRO 261 Ca -0.46 -0.01 -0.13 0.00 0.11 0.00 0.00 66.00 65.51 3k4w h PRO 261 Cb 1.33 -0.01 -0.02 0.00 0.11 0.00 0.00 31.00 32.41 3k4w h PRO 261 CO 0.57 0.19 -0.62 0.38 -0.21 0.00 0.00 178.00 178.30 3k4w h ASP 262 N 0.06 0.00 0.00 -2.05 2.03 -2.01 -2.35 116.42 112.10 3k4w h ASP 262 Ca 0.01 0.00 -0.21 0.00 -0.73 0.00 0.00 57.03 56.10 3k4w h ASP 262 Cb 0.26 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.77 3k4w h ASP 262 CO 0.02 0.62 -0.75 0.00 -1.03 0.00 0.00 179.24 178.10 3k4w h ALA 263 N 1.38 0.43 -0.26 4.15 0.00 -1.49 -2.70 119.26 120.76 3k4w h ALA 263 Ca -0.01 -0.60 0.02 0.00 0.00 0.00 0.00 54.91 54.32 3k4w h ALA 263 Cb 1.14 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.87 3k4w h ALA 263 CO 0.08 0.71 0.12 1.98 0.00 0.00 0.00 179.25 182.15 3k4w h MET 264 N 0.45 0.26 -0.76 0.00 -1.53 -0.70 0.84 114.93 113.48 3k4w h MET 264 Ca -0.04 -0.02 0.01 0.00 -3.44 0.00 0.00 59.70 56.21 3k4w h MET 264 Cb 1.36 -0.06 -0.04 0.00 -0.55 0.00 0.00 31.60 32.31 3k4w h MET 264 CO 0.15 0.17 0.50 0.93 0.14 0.00 0.00 176.91 178.80 3k4w h GLU 265 N 0.26 0.99 -0.83 0.39 5.08 -1.39 0.22 114.58 119.31 3k4w h GLU 265 Ca 0.11 -0.06 -0.03 0.00 -1.00 0.00 0.00 59.36 58.38 3k4w h GLU 265 Cb 0.04 -0.22 -0.04 0.00 0.50 0.00 0.00 28.75 29.03 3k4w h GLU 265 CO -0.08 0.66 0.39 0.87 -1.00 0.00 0.00 179.01 179.85 3k4w h LYS 266 N 1.02 1.20 -0.19 2.33 1.57 -1.08 -1.40 116.57 120.02 3k4w h LYS 266 Ca 0.28 -0.18 -0.20 0.00 -1.87 0.00 0.00 60.65 58.68 3k4w h LYS 266 Cb -0.11 -0.21 0.00 0.00 0.08 0.00 0.00 32.23 31.99 3k4w h LYS 266 CO -0.06 0.93 -0.67 0.82 -0.57 0.00 0.00 179.45 179.90 3k4w h ILE 267 N 1.18 1.30 -0.17 1.86 2.04 -0.32 0.27 117.51 123.67 3k4w h ILE 267 Ca 0.28 -1.90 -0.17 0.00 1.00 0.00 0.00 64.86 64.08 3k4w h ILE 267 Cb 0.13 1.86 -0.00 0.00 -0.74 0.00 0.00 36.82 38.07 3k4w h ILE 267 CO -0.03 0.60 -0.58 -0.07 0.00 0.00 0.00 178.15 178.06 3k4w h LEU 268 N 0.52 0.62 0.00 1.44 3.38 -0.53 -2.01 115.31 118.74 3k4w h LEU 268 Ca -0.02 -0.35 0.00 0.00 0.09 0.00 0.00 57.88 57.60 3k4w h LEU 268 Cb 1.27 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.84 3k4w h LEU 268 CO 0.13 1.07 0.00 0.00 0.09 0.00 0.00 178.44 179.73 3k4w n HIS 269 N -3.94 0.00 -0.33 1.13 1.44 -0.59 -1.23 115.22 111.70 3k4w n HIS 269 Ca -0.04 0.00 0.08 0.00 -2.01 0.00 0.00 57.72 55.75 3k4w n HIS 269 Cb 0.62 0.00 0.24 0.00 0.12 0.00 0.00 29.99 30.98 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 1.56 1.47 -1.39 0.00 -1.08 -0.46 103.07 103.17 3k4w h GLY 270 Ca 0.00 -0.35 -0.18 0.00 0.00 0.00 0.00 47.33 46.80 3k4w h GLY 270 CO 0.00 0.06 -0.64 3.43 0.00 0.00 0.00 176.54 179.38 3k4w h ASN 271 N 0.82 0.61 -0.33 0.19 2.35 -0.73 -2.23 115.58 116.27 3k4w h ASN 271 Ca 0.49 -0.36 -0.14 0.00 -0.55 0.00 0.00 56.30 55.74 3k4w h ASN 271 Cb 0.60 -0.18 -0.01 0.00 0.05 0.00 0.00 38.32 38.78 3k4w h ASN 271 CO -0.31 1.10 -0.32 0.00 -1.65 0.00 0.00 177.43 176.24 3k4w h ALA 272 N 0.90 0.70 -0.63 -0.83 0.00 -1.59 -2.76 119.26 115.05 3k4w h ALA 272 Ca -0.01 -0.42 -0.05 0.00 0.00 0.00 0.00 54.91 54.43 3k4w h ALA 272 Cb 1.21 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.84 3k4w h ALA 272 CO 0.12 0.66 0.21 1.05 0.00 0.00 0.00 179.25 181.30 3k4w h GLU 273 N 0.72 0.95 -0.61 0.00 4.11 -0.99 0.69 114.58 119.46 3k4w h GLU 273 Ca 0.08 -0.18 0.11 0.00 0.07 0.00 0.00 59.36 59.44 3k4w h GLU 273 Cb 0.88 -0.15 -0.08 0.00 0.50 0.00 0.00 28.75 29.90 3k4w h GLU 273 CO 0.08 0.81 0.17 -0.09 0.07 0.00 0.00 179.01 180.05 3k4w h ARG 274 N 0.92 0.31 -0.14 1.06 2.43 -1.17 -0.44 114.38 117.35 3k4w h ARG 274 Ca 0.21 -0.02 -0.04 0.00 -0.81 0.00 0.00 59.98 59.32 3k4w h ARG 274 Cb 0.24 -0.07 -0.00 0.00 -0.42 0.00 0.00 29.97 29.72 3k4w h ARG 274 CO -0.01 0.20 -0.08 -0.07 -1.51 0.00 0.00 179.97 178.50 3k4w h LEU 275 N 0.32 0.32 -1.05 3.80 3.38 -1.13 -1.61 115.31 119.34 3k4w h LEU 275 Ca 0.32 -0.43 0.04 0.00 0.09 0.00 0.00 57.88 57.90 3k4w h LEU 275 Cb 0.45 -0.09 -0.06 0.00 0.09 0.00 0.00 40.66 41.05 3k4w h LEU 275 CO -0.37 0.68 0.64 -0.07 0.09 0.00 0.00 178.44 179.41 3k4w h LEU 276 N -0.04 1.06 -0.81 1.67 3.38 -0.82 -1.02 115.31 118.73 3k4w h LEU 276 Ca 0.03 -0.01 -0.09 0.00 0.09 0.00 0.00 57.88 57.90 3k4w h LEU 276 Cb 0.56 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.05 3k4w h LEU 276 CO 0.02 0.72 -0.12 0.00 0.09 0.00 0.00 178.44 179.15 3k4w h ALA 277 N 1.43 0.99 0.20 1.53 0.00 -0.94 -2.22 119.26 120.25 3k4w h ALA 277 Ca 0.39 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3k4w h ALA 277 Cb 0.02 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 3k4w h ALA 277 CO -0.12 0.60 -0.17 0.37 0.00 0.00 0.00 179.25 179.92 3k4w h GLN 278 N 0.69 -0.38 -1.03 0.00 4.15 -0.82 -2.59 115.11 115.13 3k4w h GLN 278 Ca 0.12 0.03 0.26 0.00 0.77 0.00 0.00 58.65 59.82 3k4w h GLN 278 Cb 0.60 0.09 -0.09 0.00 0.21 0.00 0.00 27.48 28.28 3k4w h GLN 278 CO 0.04 -0.25 0.66 0.00 -1.93 0.00 0.00 178.83 177.35 3k4w h ALA 279 N 0.37 2.22 0.00 3.38 0.00 -0.92 0.41 119.26 124.71 3k4w h ALA 279 Ca -0.01 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.97 3k4w h ALA 279 Cb 0.36 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.17 3k4w h ALA 279 CO -0.03 -0.62 0.00 0.41 0.00 0.00 0.00 179.25 179.02 3k4w n GLY 280 N -1.47 -0.74 2.84 0.00 0.00 -0.86 -4.92 105.19 100.04 3k4w n GLY 280 Ca 0.25 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.25 3k4w n GLY 280 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86