#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 1.69 -0.01 1.96 2.20 -1.26 -4.82 119.74 119.50 3k4w s LYS 2 Ca 0.00 -0.83 0.01 0.00 -0.36 0.00 0.00 55.97 54.79 3k4w s LYS 2 Cb 0.00 -1.68 0.01 0.00 -1.51 0.00 0.00 37.83 34.65 3k4w s LYS 2 CO 0.00 0.45 -0.02 0.42 -0.36 0.00 0.00 175.35 175.85 3k4w s ILE 3 N -0.58 0.22 -0.33 5.43 1.01 -0.99 -4.60 121.20 121.37 3k4w s ILE 3 Ca 0.08 -0.05 -0.08 0.00 0.00 0.00 0.00 60.65 60.60 3k4w s ILE 3 Cb -0.09 -0.24 0.02 0.00 0.01 0.00 0.00 42.46 42.16 3k4w s ILE 3 CO -0.00 0.10 0.14 -0.63 0.00 0.00 0.00 174.94 174.55 3k4w s ILE 4 N 0.38 4.24 -0.52 2.92 1.01 -0.20 -1.12 121.20 127.90 3k4w s ILE 4 Ca -0.04 -0.76 -0.28 0.00 0.00 0.00 0.00 60.65 59.58 3k4w s ILE 4 Cb -0.06 -3.27 0.03 0.00 0.01 0.00 0.00 42.46 39.17 3k4w s ILE 4 CO -0.01 -0.06 1.10 -0.62 0.00 0.00 0.00 174.94 175.36 3k4w s ASP 5 N 1.52 6.51 0.00 3.58 -1.08 0.12 -4.66 116.67 122.67 3k4w s ASP 5 Ca 0.02 0.19 0.17 0.00 -0.52 0.00 0.00 52.55 52.41 3k4w s ASP 5 Cb -0.18 -2.52 0.84 0.00 -1.46 0.00 0.00 42.92 39.59 3k4w s ASP 5 CO 0.04 -1.31 1.49 0.33 0.52 0.00 0.00 175.17 176.24 3k4w n PHE 6 N 7.92 0.00 -3.39 -5.34 7.35 -0.60 -0.37 117.46 123.04 3k4w n PHE 6 Ca 0.09 0.00 -0.19 0.00 -0.76 0.00 0.00 57.45 56.59 3k4w n PHE 6 Cb 0.49 -0.29 -0.09 0.00 0.35 0.00 0.00 39.48 39.94 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 -2.58 0.52 -0.11 -4.13 3.52 -1.25 -4.55 118.95 110.38 3k4w s ARG 7 Ca 0.16 -0.70 0.01 0.00 -0.13 0.00 0.00 55.73 55.07 3k4w s ARG 7 Cb 0.11 -0.79 0.02 0.00 -1.56 0.00 0.00 34.95 32.73 3k4w s ARG 7 CO 0.25 -1.14 -0.11 -1.17 -0.81 0.00 0.00 175.30 172.32 3k4w s LEU 8 N 1.68 1.49 -0.40 -0.88 0.20 0.73 -1.76 118.68 119.73 3k4w s LEU 8 Ca 0.15 -0.35 -0.04 0.00 0.69 0.00 0.00 54.13 54.57 3k4w s LEU 8 Cb -0.16 -0.94 0.10 0.00 -0.43 0.00 0.00 46.19 44.77 3k4w s LEU 8 CO -0.13 -0.04 0.20 -0.13 -0.29 0.00 0.00 176.35 175.96 3k4w s ARG 9 N 1.26 2.14 0.39 1.98 3.00 0.76 -3.96 118.95 124.53 3k4w s ARG 9 Ca -0.02 -1.73 -0.23 0.00 0.00 0.00 0.00 55.73 53.75 3k4w s ARG 9 Cb -0.14 -3.59 -0.10 0.00 0.00 0.00 0.00 34.95 31.13 3k4w s ARG 9 CO -0.04 -1.02 0.99 -1.25 0.00 0.00 0.00 175.30 173.97 3k4w s PRO 10 N 1.20 4.27 -1.44 3.54 0.04 -1.26 -4.06 135.00 137.28 3k4w s PRO 10 Ca 0.06 1.34 -0.14 0.00 0.04 0.00 0.00 61.00 62.30 3k4w s PRO 10 Cb -0.23 -2.48 0.05 0.00 0.04 0.00 0.00 34.50 31.88 3k4w s PRO 10 CO -0.03 -0.01 2.19 -0.35 0.04 0.00 0.00 177.00 178.83 3k4w n PRO 11 N -0.12 2.91 -3.73 0.56 -0.04 -1.26 -4.60 135.00 128.73 3k4w n PRO 11 Ca 0.05 -2.69 -0.12 0.00 -0.04 0.00 0.00 63.50 60.70 3k4w n PRO 11 Cb 0.51 -3.28 -0.11 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 3.09 -0.88 0.00 0.55 0.00 -1.26 -3.96 121.76 119.30 3k4w s ALA 12 Ca 0.47 1.16 0.00 0.00 0.00 0.00 0.00 51.96 53.59 3k4w s ALA 12 Cb 0.13 -0.70 0.00 0.00 0.00 0.00 0.00 23.12 22.55 3k4w s ALA 12 CO -0.08 -0.20 0.00 -1.33 0.00 0.00 0.00 175.76 174.15 3k4w n MET 13 N 3.54 0.00 -0.35 0.00 2.81 -1.26 -1.72 117.12 120.13 3k4w n MET 13 Ca -0.18 0.00 0.36 0.00 -1.81 0.00 0.00 57.70 56.07 3k4w n MET 13 Cb 0.56 0.00 0.74 0.00 -0.71 0.00 0.00 33.22 33.81 3k4w n MET 13 CO 0.00 0.00 0.00 0.78 1.51 0.00 0.00 175.97 178.26 3k4w h GLY 14 N 0.00 0.08 2.00 3.03 0.00 -1.95 -2.40 103.07 103.83 3k4w h GLY 14 Ca 0.00 -0.01 -0.02 0.00 0.00 0.00 0.00 47.33 47.30 3k4w h GLY 14 CO 0.00 -0.01 -0.10 0.74 0.00 0.00 0.00 176.54 177.17 3k4w h PHE 15 N 0.02 0.00 0.00 5.60 0.04 -1.59 -2.45 116.94 118.57 3k4w h PHE 15 Ca 0.59 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.36 3k4w h PHE 15 Cb 2.32 0.00 0.00 0.00 2.20 0.00 0.00 35.95 40.47 3k4w h PHE 15 CO -0.00 0.10 0.00 -0.07 -0.60 0.00 0.00 178.31 177.74 3k4w h LEU 16 N 0.00 0.00 -0.18 1.54 3.38 -1.55 -1.41 115.31 117.09 3k4w h LEU 16 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3k4w h LEU 16 Cb 0.79 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.54 3k4w h LEU 16 CO 0.01 0.00 0.00 0.59 0.09 0.00 0.00 178.44 179.13 3k4w n ASN 17 N -2.39 0.50 -4.85 -0.43 4.13 -0.92 -4.24 115.26 107.06 3k4w n ASN 17 Ca -0.01 0.57 -0.32 0.00 1.68 0.00 0.00 54.58 56.51 3k4w n ASN 17 Cb 0.11 -0.70 -0.04 0.00 -1.54 0.00 0.00 39.78 37.61 3k4w n ASN 17 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3k4w s ALA 18 N -3.12 3.17 0.36 5.41 0.00 -0.53 -3.69 121.76 123.35 3k4w s ALA 18 Ca 0.09 0.07 0.09 0.00 0.00 0.00 0.00 51.96 52.21 3k4w s ALA 18 Cb 0.13 -2.97 0.81 0.00 0.00 0.00 0.00 23.12 21.08 3k4w s ALA 18 CO 0.49 -0.10 1.89 -0.09 0.00 0.00 0.00 175.76 177.95 3k4w h ARG 19 N 1.19 0.68 -0.30 0.00 2.43 -1.89 0.82 114.38 117.32 3k4w h ARG 19 Ca -0.47 -0.04 0.09 0.00 -0.81 0.00 0.00 59.98 58.75 3k4w h ARG 19 Cb 1.18 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 30.57 3k4w h ARG 19 CO 0.62 0.45 0.36 -0.84 -1.51 0.00 0.00 179.97 179.05 3k4w h ILE 20 N 0.70 0.37 0.00 1.20 3.07 -1.91 -0.88 117.51 120.06 3k4w h ILE 20 Ca 0.42 0.00 -0.13 0.00 1.55 0.00 0.00 64.86 66.70 3k4w h ILE 20 Cb 0.64 0.71 -0.02 0.00 -0.27 0.00 0.00 36.82 37.87 3k4w h ILE 20 CO -0.18 0.00 -1.66 -1.22 -1.05 0.00 0.00 178.15 174.04 3k4w n TYR 21 N -3.67 0.00 0.13 0.16 4.01 -0.24 -4.61 117.16 112.95 3k4w n TYR 21 Ca 0.05 0.00 0.02 0.00 -0.16 0.00 0.00 57.90 57.80 3k4w n TYR 21 Cb 0.51 -0.43 0.02 0.00 -0.31 0.00 0.00 39.34 39.12 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 0.95 -2.47 -0.72 1.35 -0.81 -3.36 112.91 107.85 3k4w h THR 22 Ca -0.19 -2.32 -0.65 0.00 -0.55 0.00 0.00 66.41 62.70 3k4w h THR 22 Cb 1.26 2.46 -0.39 0.00 -1.73 0.00 0.00 68.15 69.75 3k4w h THR 22 CO 0.01 0.54 -0.30 0.54 -0.25 0.00 0.00 175.52 176.06 3k4w n ARG 23 N -3.25 2.85 0.01 4.72 5.12 -0.34 -4.91 116.66 120.86 3k4w n ARG 23 Ca 0.02 -4.63 0.13 0.00 -1.93 0.00 0.00 57.85 51.43 3k4w n ARG 23 Cb 0.75 -2.32 0.57 0.00 -1.16 0.00 0.00 32.46 30.30 3k4w n ARG 23 CO 0.00 0.00 0.00 -1.35 -1.93 0.00 0.00 177.63 174.35 3k4w h PRO 24 N 4.62 0.23 -0.13 5.56 0.11 -1.81 -2.62 132.00 137.95 3k4w h PRO 24 Ca 0.19 -0.01 0.02 0.00 0.11 0.00 0.00 66.00 66.31 3k4w h PRO 24 Cb 0.67 -0.05 -0.02 0.00 0.11 0.00 0.00 31.00 31.71 3k4w h PRO 24 CO 0.92 0.15 0.02 0.38 -0.21 0.00 0.00 178.00 179.26 3k4w h ASP 25 N 0.23 -0.02 0.02 -2.05 2.03 -1.96 0.11 116.42 114.79 3k4w h ASP 25 Ca 0.21 0.02 -0.16 0.00 -0.73 0.00 0.00 57.03 56.37 3k4w h ASP 25 Cb 0.52 0.04 -0.01 0.00 -0.83 0.00 0.00 39.33 39.05 3k4w h ASP 25 CO -0.04 0.01 -0.54 0.40 -1.03 0.00 0.00 179.24 178.05 3k4w h ILE 26 N 0.07 1.32 -0.08 4.15 2.04 -1.89 -2.64 117.51 120.49 3k4w h ILE 26 Ca 0.06 -1.78 -0.04 0.00 1.00 0.00 0.00 64.86 64.11 3k4w h ILE 26 Cb 0.06 1.75 -0.00 0.00 -0.74 0.00 0.00 36.82 37.89 3k4w h ILE 26 CO -0.09 0.55 -0.09 -0.09 0.00 0.00 0.00 178.15 178.43 3k4w h ARG 27 N 0.43 0.20 -0.43 2.37 2.43 -1.41 -2.92 114.38 115.05 3k4w h ARG 27 Ca 0.01 -0.11 0.05 0.00 -0.81 0.00 0.00 59.98 59.12 3k4w h ARG 27 Cb 1.07 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.61 3k4w h ARG 27 CO 0.10 0.65 0.29 -0.91 -1.51 0.00 0.00 179.97 178.59 3k4w h ASN 28 N -0.24 0.32 -0.54 -3.80 2.35 -0.81 -1.34 115.58 111.53 3k4w h ASN 28 Ca 0.01 -0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 55.70 3k4w h ASN 28 Cb 0.62 -0.07 -0.02 0.00 0.05 0.00 0.00 38.32 38.90 3k4w h ASN 28 CO 0.02 0.22 0.12 -0.09 -1.65 0.00 0.00 177.43 176.05 3k4w h ARG 29 N 0.37 0.86 0.12 0.81 2.43 -1.40 -1.71 114.38 115.87 3k4w h ARG 29 Ca 0.18 -0.21 -0.01 0.00 -0.81 0.00 0.00 59.98 59.13 3k4w h ARG 29 Cb 0.26 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 29.70 3k4w h ARG 29 CO -0.04 0.82 -0.06 0.35 -1.51 0.00 0.00 179.97 179.53 3k4w h PHE 30 N 0.76 -0.15 -0.41 2.20 3.04 -1.20 0.11 116.94 121.28 3k4w h PHE 30 Ca 0.17 -0.00 0.09 0.00 3.98 0.00 0.00 57.97 62.20 3k4w h PHE 30 Cb 0.35 0.05 -0.08 0.00 2.56 0.00 0.00 35.95 38.83 3k4w h PHE 30 CO 0.02 0.12 -0.14 1.15 -2.02 0.00 0.00 178.31 177.44 3k4w h THR 31 N -0.41 0.51 -0.75 4.41 2.02 -1.26 -1.07 112.91 116.36 3k4w h THR 31 Ca -0.02 0.00 -0.05 0.00 0.77 0.00 0.00 66.41 67.11 3k4w h THR 31 Cb 0.34 0.51 -0.03 0.00 -1.74 0.00 0.00 68.15 67.23 3k4w h THR 31 CO 0.03 0.00 0.26 0.03 0.37 0.00 0.00 175.52 176.20 3k4w h ARG 32 N -0.05 1.14 -0.98 6.66 3.08 -1.26 -1.36 114.38 121.61 3k4w h ARG 32 Ca 0.20 -0.23 0.01 0.00 0.07 0.00 0.00 59.98 60.03 3k4w h ARG 32 Cb 0.36 -0.17 -0.05 0.00 0.08 0.00 0.00 29.97 30.19 3k4w h ARG 32 CO -0.45 0.95 0.64 0.37 -1.07 0.00 0.00 179.97 180.41 3k4w h GLN 33 N 1.10 1.29 0.00 0.04 4.15 -0.09 -1.34 115.11 120.26 3k4w h GLN 33 Ca 0.24 -0.08 -0.02 0.00 0.77 0.00 0.00 58.65 59.56 3k4w h GLN 33 Cb 0.27 -0.29 -0.00 0.00 0.21 0.00 0.00 27.48 27.67 3k4w h GLN 33 CO -0.01 0.86 -0.10 -0.07 -1.93 0.00 0.00 178.83 177.58 3k4w h LEU 34 N 1.33 0.00 0.00 -2.39 3.38 -1.04 -3.47 115.31 113.12 3k4w h LEU 34 Ca 0.36 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.33 3k4w h LEU 34 Cb -0.15 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.60 3k4w h LEU 34 CO -0.08 0.10 0.00 0.61 0.09 0.00 0.00 178.44 179.16 3k4w n GLY 35 N -1.26 1.59 3.71 0.83 0.00 -0.50 -4.91 105.19 104.65 3k4w n GLY 35 Ca -0.03 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.75 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 2.89 0.23 1.61 0.08 -0.57 -4.99 117.98 115.23 3k4w s PHE 36 Ca 0.00 -0.14 -0.22 0.00 0.12 0.00 0.00 56.93 56.69 3k4w s PHE 36 Cb 0.00 -1.34 -0.08 0.00 -0.57 0.00 0.00 43.02 41.02 3k4w s PHE 36 CO 0.00 0.55 0.77 -1.21 -0.10 0.00 0.00 175.22 175.23 3k4w s GLU 37 N -3.37 4.36 0.66 0.44 0.41 -1.26 -3.24 118.70 116.69 3k4w s GLU 37 Ca 0.30 0.99 -0.17 0.00 -0.41 0.00 0.00 54.97 55.68 3k4w s GLU 37 Cb -0.08 -2.92 -0.03 0.00 -1.78 0.00 0.00 34.13 29.32 3k4w s GLU 37 CO 0.21 0.40 0.93 -2.30 -0.49 0.00 0.00 175.26 174.01 3k4w n PRO 38 N 0.82 0.68 -2.33 0.39 -0.02 -1.26 -4.53 135.00 128.75 3k4w n PRO 38 Ca -0.02 0.28 -0.42 0.00 -2.02 0.00 0.00 63.50 61.32 3k4w n PRO 38 Cb 0.51 -2.16 -0.03 0.00 -0.02 0.00 0.00 33.50 31.79 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 -1.66 3.46 0.34 3.55 0.00 -1.26 -4.94 121.76 121.25 3k4w s ALA 39 Ca 0.75 0.96 0.10 0.00 0.00 0.00 0.00 51.96 53.76 3k4w s ALA 39 Cb -0.38 -3.47 0.84 0.00 0.00 0.00 0.00 23.12 20.12 3k4w s ALA 39 CO 0.49 -0.48 1.80 -1.35 0.00 0.00 0.00 175.76 176.22 3k4w h PRO 40 N 6.41 0.64 0.00 0.00 0.11 -1.99 -1.18 132.00 135.99 3k4w h PRO 40 Ca -0.42 -0.04 -0.09 0.00 0.11 0.00 0.00 66.00 65.56 3k4w h PRO 40 Cb 1.21 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 32.17 3k4w h PRO 40 CO 0.81 0.42 -0.42 0.66 -0.21 0.00 0.00 178.00 179.27 3k4w h SER 41 N 0.66 0.00 0.57 -2.05 4.64 -1.87 -1.95 113.55 113.55 3k4w h SER 41 Ca 0.55 0.00 -0.28 0.00 -0.47 0.00 0.00 61.79 61.59 3k4w h SER 41 Cb 0.99 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 63.09 3k4w h SER 41 CO -0.32 0.42 -1.24 0.00 -0.87 0.00 0.00 176.83 174.82 3k4w h ALA 42 N 1.58 0.10 -0.34 5.18 0.00 -1.55 -1.24 119.26 122.98 3k4w h ALA 42 Ca -0.00 -0.87 -0.11 0.00 0.00 0.00 0.00 54.91 53.93 3k4w h ALA 42 Cb 0.84 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 3k4w h ALA 42 CO 0.05 0.93 -0.20 0.93 0.00 0.00 0.00 179.25 180.96 3k4w h GLU 43 N 0.10 0.74 -0.00 0.00 4.39 -1.28 -2.75 114.58 115.78 3k4w h GLU 43 Ca -0.14 -0.34 0.00 0.00 0.34 0.00 0.00 59.36 59.22 3k4w h GLU 43 Cb 1.95 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 30.59 3k4w h GLU 43 CO 0.21 0.95 -0.00 0.39 -1.16 0.00 0.00 179.01 179.40 3k4w n GLU 44 N -4.29 0.75 -4.32 2.33 -0.58 -0.74 -4.91 120.64 108.88 3k4w n GLU 44 Ca -0.03 -0.02 -0.33 0.00 -0.42 0.00 0.00 57.16 56.36 3k4w n GLU 44 Cb 0.42 -1.50 -0.08 0.00 -0.57 0.00 0.00 31.44 29.71 3k4w n GLU 44 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 3k4w n LYS 45 N -1.11 -1.33 -3.82 3.49 5.02 -0.86 -4.92 118.16 114.63 3k4w n LYS 45 Ca 0.20 0.16 -0.36 0.00 -2.02 0.00 0.00 58.31 56.28 3k4w n LYS 45 Cb 0.17 -4.07 -0.13 0.00 -0.02 0.00 0.00 35.03 30.98 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 -4.05 4.80 0.14 4.39 0.15 -0.53 -4.89 113.70 113.72 3k4w s SER 46 Ca 0.25 -0.40 -0.11 0.00 0.70 0.00 0.00 55.95 56.39 3k4w s SER 46 Cb -0.14 -1.84 -0.03 0.00 -1.71 0.00 0.00 66.02 62.30 3k4w s SER 46 CO 0.99 -0.07 1.50 0.25 1.20 0.00 0.00 173.24 177.12 3k4w h LEU 47 N 8.19 0.97 0.12 3.45 5.85 -1.85 -2.52 115.31 129.52 3k4w h LEU 47 Ca -0.38 -0.43 0.01 0.00 0.84 0.00 0.00 57.88 57.93 3k4w h LEU 47 Cb 1.16 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 41.89 3k4w h LEU 47 CO 0.59 1.19 -0.21 -0.33 -0.34 0.00 0.00 178.44 179.34 3k4w h GLU 48 N 0.76 -0.38 -0.62 1.25 5.08 -1.93 -1.11 114.58 117.61 3k4w h GLU 48 Ca 0.08 0.03 0.09 0.00 -1.00 0.00 0.00 59.36 58.56 3k4w h GLU 48 Cb 0.86 0.09 -0.04 0.00 0.50 0.00 0.00 28.75 30.16 3k4w h GLU 48 CO 0.08 -0.26 0.41 -0.07 -1.00 0.00 0.00 179.01 178.18 3k4w h LEU 49 N -0.40 0.42 -0.18 1.33 3.38 -1.94 -2.45 115.31 115.47 3k4w h LEU 49 Ca 0.02 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 3k4w h LEU 49 Cb 0.41 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 3k4w h LEU 49 CO -0.11 0.26 0.06 -0.03 0.09 0.00 0.00 178.44 178.71 3k4w h MET 50 N 0.47 0.28 -0.96 1.13 4.05 -0.95 -1.60 114.93 117.35 3k4w h MET 50 Ca 0.28 -0.06 0.04 0.00 -0.28 0.00 0.00 59.70 59.68 3k4w h MET 50 Cb 0.50 -0.04 -0.06 0.00 -0.80 0.00 0.00 31.60 31.20 3k4w h MET 50 CO -0.08 0.39 0.63 0.74 0.23 0.00 0.00 176.91 178.81 3k4w h PHE 51 N 0.12 1.17 -0.59 1.39 0.04 -0.77 0.17 116.94 118.48 3k4w h PHE 51 Ca 0.06 0.03 0.04 0.00 2.80 0.00 0.00 57.97 60.90 3k4w h PHE 51 Cb 0.22 -0.39 -0.04 0.00 2.20 0.00 0.00 35.95 37.94 3k4w h PHE 51 CO -0.00 0.67 0.34 0.93 -0.60 0.00 0.00 178.31 179.65 3k4w h GLU 52 N 1.21 0.63 -0.49 1.51 5.08 -1.32 -1.62 114.58 119.58 3k4w h GLU 52 Ca 0.39 -0.04 -0.10 0.00 -1.00 0.00 0.00 59.36 58.61 3k4w h GLU 52 Cb 0.02 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.11 3k4w h GLU 52 CO -0.12 0.42 -0.08 0.93 -1.00 0.00 0.00 179.01 179.16 3k4w h GLU 53 N 0.65 0.91 -0.02 2.33 5.08 -0.77 -1.35 114.58 121.42 3k4w h GLU 53 Ca 0.25 -0.33 0.03 0.00 -1.00 0.00 0.00 59.36 58.31 3k4w h GLU 53 Cb 0.08 -0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.23 3k4w h GLU 53 CO -0.13 0.98 -0.20 1.98 -1.00 0.00 0.00 179.01 180.64 3k4w h MET 54 N 0.76 -0.30 -0.03 2.33 4.05 -0.89 -1.48 114.93 119.38 3k4w h MET 54 Ca 0.13 0.02 -0.12 0.00 -0.28 0.00 0.00 59.70 59.45 3k4w h MET 54 Cb 0.62 0.07 -0.02 0.00 -0.80 0.00 0.00 31.60 31.48 3k4w h MET 54 CO 0.04 -0.20 -0.54 0.00 0.23 0.00 0.00 176.91 176.45 3k4w h ALA 55 N 0.60 1.06 -0.38 0.39 0.00 -1.23 -0.71 119.26 118.99 3k4w h ALA 55 Ca 0.06 -0.49 -0.10 0.00 0.00 0.00 0.00 54.91 54.39 3k4w h ALA 55 Cb 0.40 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 3k4w h ALA 55 CO -0.20 0.67 -0.16 0.00 0.00 0.00 0.00 179.25 179.56 3k4w h ALA 56 N 1.40 1.01 0.00 0.00 0.00 -1.06 -2.97 119.26 117.64 3k4w h ALA 56 Ca -0.00 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.58 3k4w h ALA 56 Cb 0.97 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.60 3k4w h ALA 56 CO 0.07 0.59 -0.00 0.00 0.00 0.00 0.00 179.25 179.91 3k4w h ALA 57 N 1.19 1.00 0.00 0.00 0.00 -1.02 -3.47 119.26 116.97 3k4w h ALA 57 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.01 3k4w h ALA 57 Cb 0.63 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.42 3k4w h ALA 57 CO 0.04 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.70 3k4w n GLY 58 N 1.12 0.83 3.63 0.00 0.00 -0.89 -4.90 105.19 104.99 3k4w n GLY 58 Ca 0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 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 -2.06 4.79 -0.15 -0.61 1.01 -0.32 -2.34 121.20 121.52 3k4w s ILE 59 Ca 0.00 1.36 0.11 0.00 0.00 0.00 0.00 60.65 62.12 3k4w s ILE 59 Cb 0.00 -4.15 -0.23 0.00 0.01 0.00 0.00 42.46 38.09 3k4w s ILE 59 CO 0.00 -0.19 0.26 1.21 0.00 0.00 0.00 174.94 176.22 3k4w n GLU 60 N 6.17 0.67 -3.89 2.79 2.13 -0.28 -4.24 120.64 123.99 3k4w n GLU 60 Ca 0.05 0.15 -0.09 0.00 0.66 0.00 0.00 57.16 57.94 3k4w n GLU 60 Cb 0.48 -1.64 -0.08 0.00 0.27 0.00 0.00 31.44 30.47 3k4w n GLU 60 CO 0.00 0.00 0.00 -0.65 -0.41 0.00 0.00 177.13 176.07 3k4w s GLN 61 N -2.54 0.79 0.05 5.31 -0.21 -1.16 -4.64 119.66 117.26 3k4w s GLN 61 Ca -0.14 -0.97 -0.00 0.00 0.02 0.00 0.00 55.36 54.27 3k4w s GLN 61 Cb 0.07 0.32 -0.04 0.00 1.00 0.00 0.00 33.01 34.36 3k4w s GLN 61 CO 0.79 -0.23 -0.04 0.20 -2.12 0.00 0.00 175.29 173.89 3k4w s GLY 62 N -2.79 0.46 -0.22 3.09 0.00 0.43 -0.70 107.32 107.59 3k4w s GLY 62 Ca 0.04 -1.09 -0.10 0.00 0.00 0.00 0.00 44.72 43.58 3k4w s GLY 62 CO -0.10 -1.19 0.13 0.14 0.00 0.00 0.00 173.10 172.09 3k4w s VAL 63 N -3.31 5.27 -0.30 1.40 1.01 0.50 -0.57 120.40 124.41 3k4w s VAL 63 Ca 0.02 0.14 -0.10 0.00 0.00 0.00 0.00 61.98 62.05 3k4w s VAL 63 Cb 0.03 -3.43 -0.02 0.00 0.00 0.00 0.00 36.38 32.96 3k4w s VAL 63 CO -0.07 0.39 0.17 0.00 0.00 0.00 0.00 175.10 175.59 3k4w s VAL 65 N 1.68 3.25 0.00 0.00 1.01 -1.26 -2.64 120.40 122.44 3k4w s VAL 65 Ca 0.06 -0.58 0.00 0.00 0.00 0.00 0.00 61.98 61.45 3k4w s VAL 65 Cb -0.17 -2.39 0.00 0.00 0.00 0.00 0.00 36.38 33.83 3k4w s VAL 65 CO 0.08 0.51 0.00 0.61 0.00 0.00 0.00 175.10 176.30 3k4w n GLY 66 N 3.64 2.25 3.11 4.51 0.00 -1.26 -4.89 105.19 112.54 3k4w n GLY 66 Ca -0.18 -1.87 0.02 0.00 0.00 0.00 0.00 46.02 43.98 3k4w n GLY 66 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3k4w s ARG 67 N 3.91 0.54 -0.34 1.61 6.06 -0.11 -4.93 118.95 125.69 3k4w s ARG 67 Ca 0.00 0.45 -0.04 0.00 -2.50 0.00 0.00 55.73 53.65 3k4w s ARG 67 Cb 0.00 0.14 0.02 0.00 0.06 0.00 0.00 34.95 35.17 3k4w s ARG 67 CO 0.00 -1.05 2.83 -1.71 -2.50 0.00 0.00 175.30 172.87 3k4w n ASN 68 N 5.39 6.22 0.07 -2.12 5.15 -1.25 -0.88 115.26 127.82 3k4w n ASN 68 Ca 0.04 -3.04 -0.06 0.00 -0.60 0.00 0.00 54.58 50.92 3k4w n ASN 68 Cb 0.53 -1.25 0.10 0.00 -0.53 0.00 0.00 39.78 38.64 3k4w n ASN 68 CO 0.00 0.00 0.00 0.77 1.40 0.00 0.00 177.26 179.43 3k4w h SER 69 N 2.78 0.36 0.00 1.20 4.64 -1.92 -3.41 113.55 117.20 3k4w h SER 69 Ca 0.34 -0.20 0.00 0.00 -0.47 0.00 0.00 61.79 61.45 3k4w h SER 69 Cb 0.90 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 62.89 3k4w h SER 69 CO 0.72 0.88 0.00 -1.20 -0.87 0.00 0.00 176.83 176.36 3k4w n SER 70 N -3.89 0.00 0.10 4.97 7.64 -1.26 -4.85 113.62 116.33 3k4w n SER 70 Ca -0.03 0.00 -0.11 0.00 1.01 0.00 0.00 58.87 59.74 3k4w n SER 70 Cb 0.62 0.00 -0.07 0.00 -1.01 0.00 0.00 64.21 63.75 3k4w n SER 70 CO 0.00 0.00 0.00 -0.37 -3.01 0.00 0.00 175.04 171.66 3k4w h VAL 71 N 0.00 0.72 -1.75 0.44 -1.51 -1.97 -3.45 116.25 108.73 3k4w h VAL 71 Ca 0.00 -0.90 0.08 0.00 -1.23 0.00 0.00 66.70 64.66 3k4w h VAL 71 Cb 0.00 1.15 -0.22 0.00 -2.13 0.00 0.00 31.29 30.08 3k4w h VAL 71 CO 0.00 0.16 0.07 -0.22 -1.23 0.00 0.00 177.57 176.35 3k4w s LEU 72 N -9.18 -0.88 -0.46 4.19 0.20 -1.26 -4.79 118.68 106.50 3k4w s LEU 72 Ca -0.13 1.29 0.00 0.00 0.69 0.00 0.00 54.13 55.99 3k4w s LEU 72 Cb 0.01 2.12 0.00 0.00 -0.43 0.00 0.00 46.19 47.89 3k4w s LEU 72 CO 0.48 -0.19 0.00 0.61 -0.29 0.00 0.00 176.35 176.96 3k4w n GLY 73 N 4.73 0.62 3.75 7.98 0.00 -1.24 -4.92 105.19 116.11 3k4w n GLY 73 Ca -0.15 -0.83 -0.40 0.00 0.00 0.00 0.00 46.02 44.63 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 -2.92 7.54 -0.35 1.61 1.04 -1.26 -4.44 113.70 114.91 3k4w s SER 74 Ca 0.00 2.03 0.02 0.00 0.48 0.00 0.00 55.95 58.48 3k4w s SER 74 Cb 0.00 -2.61 0.10 0.00 0.10 0.00 0.00 66.02 63.60 3k4w s SER 74 CO 0.00 0.07 0.07 -0.69 0.98 0.00 0.00 173.24 173.66 3k4w s VAL 75 N -1.10 2.52 0.85 5.02 1.01 -0.06 -4.74 120.40 123.89 3k4w s VAL 75 Ca 0.42 -2.18 -0.13 0.00 0.00 0.00 0.00 61.98 60.10 3k4w s VAL 75 Cb -0.27 -2.78 0.11 0.00 0.00 0.00 0.00 36.38 33.43 3k4w s VAL 75 CO 0.34 -0.55 1.19 -0.94 0.00 0.00 0.00 175.10 175.14 3k4w s SER 76 N 1.13 4.14 0.23 3.32 1.04 -1.26 -0.93 113.70 121.38 3k4w s SER 76 Ca 0.08 0.75 -0.05 0.00 0.48 0.00 0.00 55.95 57.21 3k4w s SER 76 Cb -0.20 -1.21 0.22 0.00 0.10 0.00 0.00 66.02 64.93 3k4w s SER 76 CO -0.07 -2.13 1.71 0.78 0.98 0.00 0.00 173.24 174.52 3k4w h ASN 77 N -1.21 0.90 -0.82 7.02 2.35 -1.89 -1.77 115.58 120.15 3k4w h ASN 77 Ca -0.47 -0.23 0.18 0.00 -0.55 0.00 0.00 56.30 55.23 3k4w h ASN 77 Cb 1.32 -0.24 -0.11 0.00 0.05 0.00 0.00 38.32 39.34 3k4w h ASN 77 CO 0.62 0.95 0.32 0.00 -1.65 0.00 0.00 177.43 177.67 3k4w h ALA 78 N 1.15 1.21 -0.12 -0.83 0.00 -1.97 0.25 119.26 118.95 3k4w h ALA 78 Ca 0.17 0.15 -0.08 0.00 0.00 0.00 0.00 54.91 55.14 3k4w h ALA 78 Cb 0.48 0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.41 3k4w h ALA 78 CO 0.02 -0.28 -0.23 -0.44 0.00 0.00 0.00 179.25 178.32 3k4w h ASP 79 N 0.40 0.41 -0.33 0.00 3.32 -1.77 0.33 116.42 118.79 3k4w h ASP 79 Ca 0.48 -0.55 0.02 0.00 0.02 0.00 0.00 57.03 57.00 3k4w h ASP 79 Cb 0.83 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 40.23 3k4w h ASP 79 CO -0.48 0.88 0.18 0.58 -1.72 0.00 0.00 179.24 178.68 3k4w h VAL 80 N -0.05 1.01 -0.43 -1.35 2.07 -1.19 -1.61 116.25 114.71 3k4w h VAL 80 Ca 0.01 -0.12 -0.07 0.00 0.82 0.00 0.00 66.70 67.33 3k4w h VAL 80 Cb 0.81 0.62 -0.02 0.00 -1.52 0.00 0.00 31.29 31.17 3k4w h VAL 80 CO 0.05 0.07 -0.03 0.00 0.02 0.00 0.00 177.57 177.67 3k4w h ALA 81 N 1.16 1.14 -0.93 1.67 0.00 -0.77 -1.96 119.26 119.58 3k4w h ALA 81 Ca 0.13 -0.26 0.13 0.00 0.00 0.00 0.00 54.91 54.91 3k4w h ALA 81 Cb 0.03 -0.18 -0.08 0.00 0.00 0.00 0.00 17.79 17.56 3k4w h ALA 81 CO -0.08 0.55 0.59 0.00 0.00 0.00 0.00 179.25 180.31 3k4w h ALA 82 N 1.30 1.72 -0.13 0.00 0.00 0.24 -0.52 119.26 121.87 3k4w h ALA 82 Ca 0.13 0.02 -0.05 0.00 0.00 0.00 0.00 54.91 55.01 3k4w h ALA 82 Cb 0.46 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.09 3k4w h ALA 82 CO 0.02 0.04 -0.11 0.28 0.00 0.00 0.00 179.25 179.48 3k4w h VAL 83 N 0.80 1.34 -0.38 0.00 2.07 -0.55 -1.43 116.25 118.11 3k4w h VAL 83 Ca 0.46 -1.24 0.01 0.00 0.82 0.00 0.00 66.70 66.75 3k4w h VAL 83 Cb 0.63 1.87 -0.02 0.00 -1.52 0.00 0.00 31.29 32.26 3k4w h VAL 83 CO -0.23 0.36 0.24 0.00 0.02 0.00 0.00 177.57 177.96 3k4w h ALA 84 N 0.61 0.47 -0.58 1.67 0.00 -1.11 -1.64 119.26 118.68 3k4w h ALA 84 Ca 0.02 -0.02 0.10 0.00 0.00 0.00 0.00 54.91 55.02 3k4w h ALA 84 Cb 0.62 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.24 3k4w h ALA 84 CO 0.03 -0.09 0.39 0.87 0.00 0.00 0.00 179.25 180.45 3k4w h LYS 85 N 0.48 0.34 -0.11 0.00 1.57 -1.01 -1.41 116.57 116.44 3k4w h LYS 85 Ca 0.14 -0.02 -0.19 0.00 -1.87 0.00 0.00 60.65 58.71 3k4w h LYS 85 Cb -0.03 -0.08 -0.00 0.00 0.08 0.00 0.00 32.23 32.20 3k4w h LYS 85 CO -0.05 0.23 -0.72 0.00 -0.57 0.00 0.00 179.45 178.34 3k4w h ALA 86 N 1.71 0.54 -2.23 3.86 0.00 -0.40 -3.38 119.26 119.36 3k4w h ALA 86 Ca 0.27 -0.60 -0.58 0.00 0.00 0.00 0.00 54.91 54.00 3k4w h ALA 86 Cb 0.59 -0.05 -0.39 0.00 0.00 0.00 0.00 17.79 17.93 3k4w h ALA 86 CO -0.07 0.74 -0.94 0.66 0.00 0.00 0.00 179.25 179.64 3k4w n TYR 87 N -3.87 0.43 0.28 0.00 4.01 -0.70 -4.98 117.16 112.33 3k4w n TYR 87 Ca -0.05 -3.65 0.15 0.00 -0.16 0.00 0.00 57.90 54.19 3k4w n TYR 87 Cb 0.71 -0.23 0.50 0.00 -0.31 0.00 0.00 39.34 40.00 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 4.61 0.00 -0.00 -0.72 0.13 -1.47 0.37 132.00 134.92 3k4w h PRO 88 Ca 0.15 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.28 3k4w h PRO 88 Cb 0.84 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.97 3k4w h PRO 88 CO 0.52 0.00 -0.01 -0.40 -0.23 0.00 0.00 178.00 177.88 3k4w n ASP 89 N -3.03 0.04 -0.03 1.44 5.75 -1.26 -4.32 116.55 115.14 3k4w n ASP 89 Ca 0.02 -0.39 -0.03 0.00 -0.01 0.00 0.00 54.79 54.37 3k4w n ASP 89 Cb 0.38 -0.20 -0.05 0.00 -1.03 0.00 0.00 41.12 40.22 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 -1.18 2.78 -4.07 0.11 4.76 0.09 -4.76 118.16 115.89 3k4w n LYS 90 Ca 0.17 -0.00 -0.23 0.00 -2.87 0.00 0.00 58.31 55.38 3k4w n LYS 90 Cb 0.21 -1.17 -0.17 0.00 -1.84 0.00 0.00 35.03 32.06 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 -2.16 1.00 -0.33 2.13 0.08 -1.05 -0.43 117.98 117.23 3k4w s PHE 91 Ca -0.04 -0.37 -0.13 0.00 0.12 0.00 0.00 56.93 56.51 3k4w s PHE 91 Cb 0.02 -0.89 -0.02 0.00 -0.57 0.00 0.00 43.02 41.56 3k4w s PHE 91 CO 0.27 -0.31 0.26 -1.01 -0.10 0.00 0.00 175.22 174.33 3k4w s HIS 92 N 1.31 3.22 0.27 0.36 3.76 0.27 -4.65 115.29 119.83 3k4w s HIS 92 Ca -0.04 -0.09 -0.29 0.00 -0.15 0.00 0.00 55.06 54.49 3k4w s HIS 92 Cb -0.14 -2.50 -0.09 0.00 1.11 0.00 0.00 32.58 30.96 3k4w s HIS 92 CO -0.03 -0.33 1.02 -1.25 -0.85 0.00 0.00 174.74 173.30 3k4w s PRO 93 N 1.80 4.71 0.00 8.40 0.04 -1.26 -0.78 135.00 147.91 3k4w s PRO 93 Ca 0.08 1.63 0.08 0.00 0.04 0.00 0.00 61.00 62.82 3k4w s PRO 93 Cb -0.17 -3.17 -0.02 0.00 0.04 0.00 0.00 34.50 31.18 3k4w s PRO 93 CO 0.11 0.33 -0.23 0.08 0.04 0.00 0.00 177.00 177.32 3k4w s VAL 94 N -1.22 1.86 -0.01 -0.36 1.01 -1.08 -4.77 120.40 115.83 3k4w s VAL 94 Ca 0.44 -1.08 -0.18 0.00 0.00 0.00 0.00 61.98 61.16 3k4w s VAL 94 Cb -0.28 -1.56 -0.06 0.00 0.00 0.00 0.00 36.38 34.48 3k4w s VAL 94 CO 0.36 0.45 0.50 -0.83 0.00 0.00 0.00 175.10 175.58 3k4w s GLY 95 N -0.74 2.53 -0.09 4.51 0.00 -0.22 -4.49 107.32 108.82 3k4w s GLY 95 Ca 0.09 -0.11 0.00 0.00 0.00 0.00 0.00 44.72 44.71 3k4w s GLY 95 CO -0.00 0.48 -0.08 -0.56 0.00 0.00 0.00 173.10 172.94 3k4w s SER 96 N -0.53 4.51 -0.15 1.64 0.01 -1.26 0.32 113.70 118.23 3k4w s SER 96 Ca 0.27 -0.11 -0.05 0.00 1.31 0.00 0.00 55.95 57.37 3k4w s SER 96 Cb -0.17 -1.30 -0.04 0.00 0.21 0.00 0.00 66.02 64.72 3k4w s SER 96 CO 0.15 0.30 0.02 -0.63 0.41 0.00 0.00 173.24 173.49 3k4w s ILE 97 N -0.42 4.46 -0.27 1.44 1.01 -0.91 -4.61 121.20 121.90 3k4w s ILE 97 Ca 0.06 -0.16 -0.03 0.00 0.00 0.00 0.00 60.65 60.52 3k4w s ILE 97 Cb -0.12 -2.96 0.11 0.00 0.01 0.00 0.00 42.46 39.49 3k4w s ILE 97 CO 0.02 0.51 0.19 -0.70 0.00 0.00 0.00 174.94 174.96 3k4w s GLU 98 N 0.04 0.22 -0.01 2.79 2.12 -1.26 -4.52 118.70 118.07 3k4w s GLU 98 Ca 0.04 -0.27 -0.00 0.00 0.36 0.00 0.00 54.97 55.09 3k4w s GLU 98 Cb -0.13 -1.06 0.01 0.00 0.26 0.00 0.00 34.13 33.21 3k4w s GLU 98 CO 0.02 -0.95 0.03 0.00 -0.54 0.00 0.00 175.26 173.82 3k4w s ALA 99 N 2.22 -0.01 0.11 6.30 0.00 -1.26 -4.93 121.76 124.18 3k4w s ALA 99 Ca 0.08 0.18 -0.26 0.00 0.00 0.00 0.00 51.96 51.97 3k4w s ALA 99 Cb -0.15 -0.14 -0.10 0.00 0.00 0.00 0.00 23.12 22.73 3k4w s ALA 99 CO -0.30 -0.06 1.67 0.00 0.00 0.00 0.00 175.76 177.07 3k4w h ALA 100 N 6.63 -0.32 -1.94 0.00 0.00 -1.97 -3.47 119.26 118.19 3k4w h ALA 100 Ca -0.33 -0.03 -0.52 0.00 0.00 0.00 0.00 54.91 54.02 3k4w h ALA 100 Cb 1.17 0.29 -0.14 0.00 0.00 0.00 0.00 17.79 19.12 3k4w h ALA 100 CO 0.49 -0.72 -0.62 0.95 0.00 0.00 0.00 179.25 179.35 3k4w s THR 101 N -6.11 1.52 0.24 0.00 -4.23 -1.26 -5.04 115.64 100.77 3k4w s THR 101 Ca -0.15 -2.03 0.01 0.00 -1.18 0.00 0.00 61.69 58.34 3k4w s THR 101 Cb 0.07 -2.79 0.01 0.00 1.34 0.00 0.00 72.50 71.14 3k4w s THR 101 CO 0.65 -0.06 1.63 -0.09 -0.54 0.00 0.00 174.62 176.22 3k4w h ARG 102 N 2.04 0.48 -0.16 3.99 2.43 -1.91 -1.29 114.38 119.97 3k4w h ARG 102 Ca -0.42 -0.24 -0.01 0.00 -0.81 0.00 0.00 59.98 58.51 3k4w h ARG 102 Cb 1.24 -0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.78 3k4w h ARG 102 CO 0.72 0.80 0.07 0.87 -1.51 0.00 0.00 179.97 180.92 3k4w h LYS 103 N 0.40 0.23 -0.20 0.20 1.57 -1.98 -1.12 116.57 115.67 3k4w h LYS 103 Ca 0.04 -0.04 0.05 0.00 -1.87 0.00 0.00 60.65 58.83 3k4w h LYS 103 Cb 0.86 -0.04 -0.05 0.00 0.08 0.00 0.00 32.23 33.08 3k4w h LYS 103 CO 0.07 0.29 -0.10 1.49 -0.57 0.00 0.00 179.45 180.62 3k4w h GLU 104 N 0.12 -0.08 -1.01 3.15 4.81 -1.87 -0.69 114.58 119.01 3k4w h GLU 104 Ca 0.05 0.01 0.02 0.00 -0.13 0.00 0.00 59.36 59.31 3k4w h GLU 104 Cb 0.14 0.02 -0.05 0.00 0.63 0.00 0.00 28.75 29.48 3k4w h GLU 104 CO -0.01 -0.05 0.66 0.00 -0.73 0.00 0.00 179.01 178.88 3k4w h ALA 105 N 1.08 1.31 0.01 2.92 0.00 -1.08 -0.55 119.26 122.96 3k4w h ALA 105 Ca 0.11 -0.06 -0.20 0.00 0.00 0.00 0.00 54.91 54.76 3k4w h ALA 105 Cb 0.25 -0.38 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 3k4w h ALA 105 CO -0.26 0.61 -0.94 0.52 0.00 0.00 0.00 179.25 179.18 3k4w h MET 106 N 1.32 0.05 -0.68 0.00 2.86 -1.08 0.90 114.93 118.30 3k4w h MET 106 Ca 0.39 -0.07 -0.04 0.00 -2.06 0.00 0.00 59.70 57.92 3k4w h MET 106 Cb -0.08 0.02 -0.03 0.00 0.06 0.00 0.00 31.60 31.58 3k4w h MET 106 CO -0.10 0.95 0.27 0.00 1.06 0.00 0.00 176.91 179.08 3k4w h ALA 107 N 1.02 0.88 -0.06 6.32 0.00 -0.66 -1.19 119.26 125.57 3k4w h ALA 107 Ca -0.02 -0.18 -0.09 0.00 0.00 0.00 0.00 54.91 54.61 3k4w h ALA 107 Cb 1.64 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 19.16 3k4w h ALA 107 CO 0.13 0.51 -0.39 1.96 0.00 0.00 0.00 179.25 181.45 3k4w h GLN 108 N 0.97 0.14 -0.35 0.00 4.20 -0.77 -1.84 115.11 117.45 3k4w h GLN 108 Ca 0.23 -0.06 -0.16 0.00 0.06 0.00 0.00 58.65 58.71 3k4w h GLN 108 Cb 0.22 -0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.99 3k4w h GLN 108 CO -0.02 0.51 -0.42 1.98 -0.67 0.00 0.00 178.83 180.21 3k4w h MET 109 N 0.12 0.87 -0.91 1.46 4.05 -0.68 -1.30 114.93 118.54 3k4w h MET 109 Ca 0.01 -0.48 0.03 0.00 -0.28 0.00 0.00 59.70 58.99 3k4w h MET 109 Cb 0.75 0.03 -0.05 0.00 -0.80 0.00 0.00 31.60 31.52 3k4w h MET 109 CO 0.06 1.12 0.60 0.37 0.23 0.00 0.00 176.91 179.28 3k4w h GLN 110 N 0.70 1.11 -0.32 0.39 5.75 -0.86 -1.36 115.11 120.52 3k4w h GLN 110 Ca 0.05 -0.07 -0.16 0.00 -0.15 0.00 0.00 58.65 58.33 3k4w h GLN 110 Cb 1.01 -0.25 -0.00 0.00 1.07 0.00 0.00 27.48 29.31 3k4w h GLN 110 CO 0.10 0.73 -0.41 1.49 -2.65 0.00 0.00 178.83 178.09 3k4w h GLU 111 N 1.14 0.84 -0.17 1.69 4.81 -1.06 -0.24 114.58 121.60 3k4w h GLU 111 Ca 0.36 -0.48 0.01 0.00 -0.13 0.00 0.00 59.36 59.12 3k4w h GLU 111 Cb 0.00 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.40 3k4w h GLU 111 CO -0.11 1.12 0.08 0.82 -0.73 0.00 0.00 179.01 180.19 3k4w h ILE 112 N 0.63 0.99 -0.99 2.32 2.04 -1.00 -0.56 117.51 120.93 3k4w h ILE 112 Ca 0.04 -0.06 0.02 0.00 1.00 0.00 0.00 64.86 65.86 3k4w h ILE 112 Cb 1.01 0.80 -0.05 0.00 -0.74 0.00 0.00 36.82 37.84 3k4w h ILE 112 CO 0.10 0.03 0.65 -0.07 0.00 0.00 0.00 178.15 178.86 3k4w h LEU 113 N 0.17 1.11 -1.07 1.44 3.38 -1.17 -1.20 115.31 117.98 3k4w h LEU 113 Ca 0.07 -0.02 0.03 0.00 0.09 0.00 0.00 57.88 58.05 3k4w h LEU 113 Cb 0.02 -0.27 -0.05 0.00 0.09 0.00 0.00 40.66 40.45 3k4w h LEU 113 CO -0.05 0.78 0.63 0.44 0.09 0.00 0.00 178.44 180.33 3k4w h ASP 114 N 1.30 1.06 0.05 -0.43 3.32 -0.55 -0.84 116.42 120.33 3k4w h ASP 114 Ca 0.38 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.41 3k4w h ASP 114 Cb -0.08 -0.25 0.00 0.00 0.22 0.00 0.00 39.33 39.22 3k4w h ASP 114 CO -0.10 0.74 0.00 0.18 -1.72 0.00 0.00 179.24 178.34 3k4w n LEU 115 N -4.42 0.00 0.00 1.55 4.77 -0.26 -4.87 117.00 113.76 3k4w n LEU 115 Ca 0.12 0.05 0.00 0.00 -0.03 0.00 0.00 56.01 56.16 3k4w n LEU 115 Cb 0.07 -0.05 0.00 0.00 -2.33 0.00 0.00 43.42 41.11 3k4w n LEU 115 CO 0.35 -0.03 0.00 0.61 -1.33 0.00 0.00 177.39 176.99 3k4w n GLY 116 N -0.08 0.64 3.75 -0.72 0.00 -0.32 -5.05 105.19 103.41 3k4w n GLY 116 Ca 0.10 -0.08 -0.35 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.00 5.40 -0.12 -0.61 1.01 -0.48 -4.77 121.20 119.63 3k4w s ILE 117 Ca 0.00 0.27 0.14 0.00 0.00 0.00 0.00 60.65 61.06 3k4w s ILE 117 Cb 0.00 -3.50 0.31 0.00 0.01 0.00 0.00 42.46 39.28 3k4w s ILE 117 CO 0.00 0.45 1.15 0.54 0.00 0.00 0.00 174.94 177.08 3k4w n ARG 118 N 3.36 1.00 -4.52 2.79 1.74 -1.26 -3.75 116.66 116.02 3k4w n ARG 118 Ca -0.16 -2.50 -0.26 0.00 -0.77 0.00 0.00 57.85 54.16 3k4w n ARG 118 Cb 0.52 -1.17 -0.17 0.00 -1.02 0.00 0.00 32.46 30.63 3k4w n ARG 118 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 3k4w s ILE 119 N -2.14 1.24 0.22 0.55 1.01 -1.26 -4.07 121.20 116.75 3k4w s ILE 119 Ca 0.29 -0.52 0.11 0.00 0.00 0.00 0.00 60.65 60.54 3k4w s ILE 119 Cb 0.28 -1.14 -0.05 0.00 0.01 0.00 0.00 42.46 41.57 3k4w s ILE 119 CO -0.04 0.38 -0.18 0.54 0.00 0.00 0.00 174.94 175.65 3k4w s VAL 120 N 0.83 2.65 0.00 2.92 0.11 -0.94 -1.06 120.40 124.91 3k4w s VAL 120 Ca -0.11 -2.05 0.01 0.00 -2.93 0.00 0.00 61.98 56.90 3k4w s VAL 120 Cb -0.15 -2.33 -0.00 0.00 -1.53 0.00 0.00 36.38 32.37 3k4w s VAL 120 CO 0.02 -0.21 -0.04 0.21 -3.33 0.00 0.00 175.10 171.74 3k4w s ASN 121 N -3.01 0.51 -0.03 3.54 2.47 0.15 -0.62 114.94 117.95 3k4w s ASN 121 Ca 0.25 -0.11 0.01 0.00 0.42 0.00 0.00 52.86 53.42 3k4w s ASN 121 Cb -0.07 -0.05 0.02 0.00 -1.45 0.00 0.00 41.25 39.71 3k4w s ASN 121 CO 0.13 0.03 -0.01 -0.76 -3.72 0.00 0.00 177.10 172.77 3k4w s LEU 122 N -0.22 1.30 -0.44 3.21 1.43 0.29 -2.14 118.68 122.10 3k4w s LEU 122 Ca 0.01 -0.05 0.08 0.00 -1.03 0.00 0.00 54.13 53.14 3k4w s LEU 122 Cb -0.02 -0.26 0.28 0.00 0.03 0.00 0.00 46.19 46.22 3k4w s LEU 122 CO -0.00 -0.07 0.64 -0.62 0.23 0.00 0.00 176.35 176.52 3k4w n GLU 123 N 3.98 1.29 0.08 1.70 1.02 -1.26 -2.03 120.64 125.41 3k4w n GLU 123 Ca -0.25 -3.64 0.11 0.00 -0.02 0.00 0.00 57.16 53.36 3k4w n GLU 123 Cb 0.51 -1.59 0.45 0.00 -0.02 0.00 0.00 31.44 30.79 3k4w n GLU 123 CO 0.00 0.00 0.00 -0.35 1.18 0.00 0.00 177.13 177.96 3k4w n PRO 124 N 0.93 0.14 0.12 3.49 -0.04 -1.26 -2.11 135.00 136.26 3k4w n PRO 124 Ca 0.24 0.28 0.12 0.00 -0.04 0.00 0.00 63.50 64.10 3k4w n PRO 124 Cb 0.53 -1.72 0.46 0.00 -0.04 0.00 0.00 33.50 32.72 3k4w n PRO 124 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3k4w n GLY 125 N 0.52 -1.46 0.52 0.55 0.00 -1.17 -1.60 105.19 102.55 3k4w n GLY 125 Ca 0.04 0.04 0.06 0.00 0.00 0.00 0.00 46.02 46.15 3k4w n GLY 125 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3k4w n VAL 126 N -2.23 1.39 -0.95 1.61 0.24 -0.90 -3.97 118.33 113.51 3k4w n VAL 126 Ca 0.04 -1.32 -0.28 0.00 -2.04 0.00 0.00 64.34 60.73 3k4w n VAL 126 Cb 0.31 0.25 0.21 0.00 -1.47 0.00 0.00 33.84 33.14 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 -1.61 1.83 0.19 6.34 0.51 -1.16 -4.97 118.94 120.07 3k4w s TRP 127 Ca 0.24 1.04 -0.12 0.00 -2.12 0.00 0.00 56.10 55.14 3k4w s TRP 127 Cb 0.16 -3.21 0.11 0.00 -0.81 0.00 0.00 33.47 29.73 3k4w s TRP 127 CO 0.10 -3.27 1.85 0.00 -0.51 0.00 0.00 176.95 175.12 3k4w h ALA 128 N -2.17 0.82 -2.91 0.98 0.00 -1.95 -3.24 119.26 110.79 3k4w h ALA 128 Ca -0.57 -0.05 -0.71 0.00 0.00 0.00 0.00 54.91 53.58 3k4w h ALA 128 Cb 1.33 -0.26 -0.28 0.00 0.00 0.00 0.00 17.79 18.59 3k4w h ALA 128 CO 0.55 0.26 -0.52 0.95 0.00 0.00 0.00 179.25 180.49 3k4w s THR 129 N -6.11 4.15 0.60 0.00 -4.23 -1.26 -5.10 115.64 103.68 3k4w s THR 129 Ca -0.13 -1.23 -0.18 0.00 -1.18 0.00 0.00 61.69 58.97 3k4w s THR 129 Cb 0.14 -3.44 -0.03 0.00 1.34 0.00 0.00 72.50 70.50 3k4w s THR 129 CO 0.76 -0.36 1.18 -2.16 -0.54 0.00 0.00 174.62 173.51 3k4w s PRO 130 N 1.44 2.97 0.07 3.99 0.04 -1.22 -4.99 135.00 137.29 3k4w s PRO 130 Ca 0.02 1.74 -0.07 0.00 0.04 0.00 0.00 61.00 62.72 3k4w s PRO 130 Cb -0.21 -1.94 -0.01 0.00 0.04 0.00 0.00 34.50 32.38 3k4w s PRO 130 CO 0.03 -1.19 0.15 0.00 0.04 0.00 0.00 177.00 176.03 3k4w s MET 131 N -3.44 0.77 0.59 4.56 0.23 -0.63 -4.98 119.30 116.40 3k4w s MET 131 Ca 0.75 -0.95 -0.13 0.00 -1.03 0.00 0.00 55.69 54.33 3k4w s MET 131 Cb -0.28 0.31 -0.05 0.00 -1.53 0.00 0.00 34.83 33.28 3k4w s MET 131 CO 0.33 -0.22 1.02 -1.01 -2.03 0.00 0.00 175.02 173.11 3k4w s HIS 132 N -3.63 3.47 -0.01 3.16 3.76 -1.26 -3.06 115.29 117.71 3k4w s HIS 132 Ca 0.03 1.38 0.32 0.00 -0.15 0.00 0.00 55.06 56.64 3k4w s HIS 132 Cb 0.04 -2.78 1.27 0.00 1.11 0.00 0.00 32.58 32.22 3k4w s HIS 132 CO -0.10 -0.65 1.93 -0.39 -0.85 0.00 0.00 174.74 174.68 3k4w h VAL 133 N 0.15 0.00 -0.44 -0.90 -1.51 -1.91 -2.03 116.25 109.61 3k4w h VAL 133 Ca -0.45 -0.48 0.00 0.00 -1.23 0.00 0.00 66.70 64.53 3k4w h VAL 133 Cb 1.19 1.44 0.00 0.00 -2.13 0.00 0.00 31.29 31.79 3k4w h VAL 133 CO 0.61 0.00 0.00 -0.90 -1.23 0.00 0.00 177.57 176.05 3k4w n ASP 134 N -2.95 4.38 -4.77 4.19 5.75 -1.26 -4.90 116.55 116.98 3k4w n ASP 134 Ca 0.01 -2.63 -0.40 0.00 -0.01 0.00 0.00 54.79 51.76 3k4w n ASP 134 Cb 0.30 -0.61 0.01 0.00 -1.03 0.00 0.00 41.12 39.78 3k4w n ASP 134 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 3k4w s ASP 135 N -0.61 6.15 0.27 -1.12 -1.08 -0.77 -4.89 116.67 114.62 3k4w s ASP 135 Ca 0.40 2.96 -0.01 0.00 -0.52 0.00 0.00 52.55 55.39 3k4w s ASP 135 Cb 0.30 -2.66 0.51 0.00 -1.46 0.00 0.00 42.92 39.60 3k4w s ASP 135 CO 0.13 -0.99 1.82 0.08 0.52 0.00 0.00 175.17 176.73 3k4w h ARG 136 N 2.71 0.87 -0.07 4.34 0.11 -1.93 -1.23 114.38 119.17 3k4w h ARG 136 Ca -0.51 -0.05 0.02 0.00 0.10 0.00 0.00 59.98 59.54 3k4w h ARG 136 Cb 1.25 -0.20 -0.00 0.00 1.11 0.00 0.00 29.97 32.13 3k4w h ARG 136 CO 0.63 0.58 0.08 0.00 0.10 0.00 0.00 179.97 181.36 3k4w h ARG 137 N 0.90 0.00 0.00 0.08 3.08 -1.97 -1.28 114.38 115.19 3k4w h ARG 137 Ca 0.47 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.52 3k4w h ARG 137 Cb 0.47 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.52 3k4w h ARG 137 CO -0.27 0.00 -0.05 -0.07 -1.07 0.00 0.00 179.97 178.51 3k4w h LEU 138 N 0.00 0.00 -0.88 3.04 3.38 -1.57 -3.39 115.31 115.90 3k4w h LEU 138 Ca 0.03 -0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.95 3k4w h LEU 138 Cb 0.20 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.91 3k4w h LEU 138 CO -0.00 0.00 0.26 1.88 0.09 0.00 0.00 178.44 180.67 3k4w h TYR 139 N 0.00 1.11 -0.68 1.13 -1.99 -1.30 -2.02 116.97 113.22 3k4w h TYR 139 Ca 0.00 -0.09 0.11 0.00 2.00 0.00 0.00 58.73 60.75 3k4w h TYR 139 Cb 0.92 -0.33 -0.04 0.00 2.00 0.00 0.00 36.73 39.28 3k4w h TYR 139 CO 0.00 0.86 0.45 -1.35 -0.00 0.00 0.00 178.16 178.12 3k4w h PRO 140 N 1.06 0.46 -0.25 4.88 0.11 -1.76 0.31 132.00 136.81 3k4w h PRO 140 Ca 0.24 -0.03 -0.11 0.00 0.11 0.00 0.00 66.00 66.21 3k4w h PRO 140 Cb 0.24 -0.10 -0.00 0.00 0.11 0.00 0.00 31.00 31.24 3k4w h PRO 140 CO -0.02 0.30 -0.29 1.25 -0.21 0.00 0.00 178.00 179.04 3k4w h LEU 141 N 0.47 0.69 -0.68 2.35 5.85 -1.66 -1.91 115.31 120.43 3k4w h LEU 141 Ca 0.32 -0.49 -0.03 0.00 0.84 0.00 0.00 57.88 58.52 3k4w h LEU 141 Cb 0.60 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.40 3k4w h LEU 141 CO -0.10 1.04 0.32 1.88 -0.34 0.00 0.00 178.44 181.24 3k4w h TYR 142 N 0.35 0.98 -0.53 1.25 0.05 -1.10 -1.08 116.97 116.89 3k4w h TYR 142 Ca 0.03 -0.05 0.05 0.00 0.05 0.00 0.00 58.73 58.81 3k4w h TYR 142 Cb 0.86 -0.30 -0.05 0.00 1.01 0.00 0.00 36.73 38.25 3k4w h TYR 142 CO 0.08 0.74 0.26 0.00 -1.05 0.00 0.00 178.16 178.18 3k4w h ALA 143 N 1.15 0.67 -0.45 3.88 0.00 -0.81 -0.69 119.26 123.02 3k4w h ALA 143 Ca 0.23 0.03 0.01 0.00 0.00 0.00 0.00 54.91 55.18 3k4w h ALA 143 Cb 0.13 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 3k4w h ALA 143 CO -0.03 -0.09 0.29 0.35 0.00 0.00 0.00 179.25 179.77 3k4w h PHE 144 N 0.50 0.54 -0.27 0.00 3.57 -1.08 -1.36 116.94 118.84 3k4w h PHE 144 Ca 0.24 0.01 -0.09 0.00 3.53 0.00 0.00 57.97 61.66 3k4w h PHE 144 Cb 0.16 -0.18 -0.01 0.00 2.79 0.00 0.00 35.95 38.71 3k4w h PHE 144 CO -0.11 0.33 -0.19 0.00 -2.23 0.00 0.00 178.31 176.12 3k4w h GLU 146 N 0.32 0.15 -0.22 0.00 4.81 -1.14 -0.61 114.58 117.90 3k4w h GLU 146 Ca 0.05 -0.01 0.02 0.00 -0.13 0.00 0.00 59.36 59.29 3k4w h GLU 146 Cb 0.73 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.06 3k4w h GLU 146 CO 0.05 0.10 0.15 -0.44 -0.73 0.00 0.00 179.01 178.14 3k4w h ASP 147 N 0.16 0.20 -0.02 1.04 3.32 -1.07 -2.91 116.42 117.13 3k4w h ASP 147 Ca 0.07 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.11 3k4w h ASP 147 Cb 0.02 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 39.52 3k4w h ASP 147 CO -0.06 0.14 -0.02 0.59 -1.72 0.00 0.00 179.24 178.18 3k4w n ASN 148 N -4.50 2.68 -1.79 6.45 3.02 -0.67 -4.98 115.26 115.47 3k4w n ASN 148 Ca 0.01 -1.88 -0.17 0.00 -0.03 0.00 0.00 54.58 52.51 3k4w n ASN 148 Cb 0.12 0.02 -0.02 0.00 -0.61 0.00 0.00 39.78 39.29 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 1.32 -0.01 3.58 7.41 0.00 -0.64 -4.99 105.19 111.86 3k4w n GLY 149 Ca 0.15 -0.20 -0.43 0.00 0.00 0.00 0.00 46.02 45.54 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 -2.79 4.61 0.34 -0.61 1.01 -0.33 -4.58 121.20 118.83 3k4w s ILE 150 Ca 0.00 0.88 -0.28 0.00 0.00 0.00 0.00 60.65 61.25 3k4w s ILE 150 Cb 0.00 -4.32 -0.12 0.00 0.01 0.00 0.00 42.46 38.02 3k4w s ILE 150 CO 0.00 -0.61 1.31 -2.65 0.00 0.00 0.00 174.94 172.99 3k4w n PRO 151 N 6.77 2.17 -4.48 2.79 -0.02 -1.26 -4.55 135.00 136.42 3k4w n PRO 151 Ca 0.05 0.76 -0.33 0.00 -2.02 0.00 0.00 63.50 61.96 3k4w n PRO 151 Cb 0.48 -2.36 -0.14 0.00 -0.02 0.00 0.00 33.50 31.46 3k4w n PRO 151 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3k4w s VAL 152 N -1.01 3.11 -0.22 -1.45 1.01 -0.33 -2.21 120.40 119.30 3k4w s VAL 152 Ca 0.56 -0.62 -0.17 0.00 0.00 0.00 0.00 61.98 61.75 3k4w s VAL 152 Cb -0.57 -2.34 -0.03 0.00 0.00 0.00 0.00 36.38 33.44 3k4w s VAL 152 CO 0.61 0.50 0.46 -0.63 0.00 0.00 0.00 175.10 176.05 3k4w s ILE 153 N 0.71 5.14 -0.03 2.22 1.01 0.21 -0.45 121.20 130.01 3k4w s ILE 153 Ca -0.05 0.82 0.04 0.00 0.00 0.00 0.00 60.65 61.47 3k4w s ILE 153 Cb -0.15 -3.79 -0.01 0.00 0.01 0.00 0.00 42.46 38.52 3k4w s ILE 153 CO 0.02 0.18 -0.16 0.00 0.00 0.00 0.00 174.94 174.98 3k4w s MET 154 N 1.68 1.57 -0.49 2.79 0.23 0.65 -0.55 119.30 125.19 3k4w s MET 154 Ca 0.21 -0.57 -0.26 0.00 -1.03 0.00 0.00 55.69 54.04 3k4w s MET 154 Cb -0.15 -1.41 0.03 0.00 -1.53 0.00 0.00 34.83 31.77 3k4w s MET 154 CO 0.09 0.26 0.96 1.41 -2.03 0.00 0.00 175.02 175.71 3k4w s MET 155 N -0.06 3.51 -0.04 3.16 1.75 -0.86 -1.51 119.30 125.24 3k4w s MET 155 Ca -0.01 0.13 0.06 0.00 -1.25 0.00 0.00 55.69 54.61 3k4w s MET 155 Cb -0.10 -3.95 0.09 0.00 2.84 0.00 0.00 34.83 33.71 3k4w s MET 155 CO 0.01 -1.31 0.95 0.25 -0.65 0.00 0.00 175.02 174.28 3k4w n THR 156 N 6.44 0.70 -4.31 10.11 -2.24 -1.15 -4.80 114.28 119.02 3k4w n THR 156 Ca 0.06 -0.81 -0.18 0.00 -2.27 0.00 0.00 64.05 60.85 3k4w n THR 156 Cb 0.48 0.37 -0.06 0.00 -2.10 0.00 0.00 70.33 69.03 3k4w n THR 156 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3k4w n GLY 157 N -0.49 3.23 7.00 3.38 0.00 -1.18 -4.03 105.19 113.10 3k4w n GLY 157 Ca 0.05 -1.95 0.00 0.00 0.00 0.00 0.00 46.02 44.12 3k4w n GLY 157 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3k4w n GLY 158 N -0.42 2.90 2.71 -0.02 0.00 0.72 -3.59 105.19 107.49 3k4w n GLY 158 Ca 0.02 -0.36 -0.41 0.00 0.00 0.00 0.00 46.02 45.26 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 0.79 6.72 0.10 1.61 3.02 -1.26 -4.71 115.26 121.53 3k4w n ASN 159 Ca 0.00 -3.24 0.13 0.00 -0.03 0.00 0.00 54.58 51.43 3k4w n ASN 159 Cb 0.00 -1.36 0.36 0.00 -0.61 0.00 0.00 39.78 38.17 3k4w n ASN 159 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3k4w n ALA 160 N 2.15 2.38 -3.26 5.41 0.00 -1.24 -4.91 120.51 121.05 3k4w n ALA 160 Ca 0.47 -0.06 -0.02 0.00 0.00 0.00 0.00 53.44 53.84 3k4w n ALA 160 Cb 0.30 -1.42 0.00 0.00 0.00 0.00 0.00 19.45 18.33 3k4w n ALA 160 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3k4w n GLY 161 N 1.31 2.21 0.26 0.00 0.00 -1.26 -3.31 105.19 104.40 3k4w n GLY 161 Ca 0.05 -1.24 0.09 0.00 0.00 0.00 0.00 46.02 44.92 3k4w n GLY 161 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3k4w h PRO 162 N 0.00 0.00 0.00 1.61 0.13 -1.91 -3.46 132.00 128.37 3k4w h PRO 162 Ca -0.09 0.00 -0.28 0.00 -0.87 0.00 0.00 66.00 64.77 3k4w h PRO 162 Cb 0.35 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 31.41 3k4w h PRO 162 CO 0.11 0.03 -0.21 -0.40 -0.23 0.00 0.00 178.00 177.30 3k4w n ASP 163 N -4.39 -0.82 0.13 1.44 5.68 -1.26 -5.06 116.55 112.26 3k4w n ASP 163 Ca -0.03 -2.53 0.12 0.00 -0.50 0.00 0.00 54.79 51.85 3k4w n ASP 163 Cb 0.11 1.65 0.47 0.00 -1.14 0.00 0.00 41.12 42.22 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 -0.46 0.76 0.28 2.12 3.06 -1.26 -2.23 119.36 121.63 3k4w n ILE 164 Ca 0.03 0.08 0.16 0.00 -2.50 0.00 0.00 62.75 60.51 3k4w n ILE 164 Cb 0.45 -1.00 0.83 0.00 0.54 0.00 0.00 39.64 40.46 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 0.35 0.00 9.51 1.35 -1.97 -0.35 112.91 121.80 3k4w h THR 165 Ca 0.00 -0.39 0.00 0.00 -0.55 0.00 0.00 66.41 65.47 3k4w h THR 165 Cb 0.48 1.29 0.00 0.00 -1.73 0.00 0.00 68.15 68.19 3k4w h THR 165 CO 0.00 0.07 0.00 -1.22 -0.25 0.00 0.00 175.52 174.12 3k4w n TYR 166 N -3.44 0.00 0.21 4.73 4.01 -0.95 -1.15 117.16 120.57 3k4w n TYR 166 Ca -0.02 0.00 0.07 0.00 -0.16 0.00 0.00 57.90 57.80 3k4w n TYR 166 Cb 0.21 -0.42 0.13 0.00 -0.31 0.00 0.00 39.34 38.95 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 -1.42 0.47 -2.00 -0.72 -2.24 -0.15 -4.75 114.28 103.47 3k4w n THR 167 Ca 0.08 -0.74 -0.42 0.00 -2.27 0.00 0.00 64.05 60.71 3k4w n THR 167 Cb 0.26 0.92 -0.03 0.00 -2.10 0.00 0.00 70.33 69.38 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 -1.11 6.66 0.14 3.42 3.84 -0.30 -4.82 114.94 122.77 3k4w s ASN 168 Ca 0.23 2.50 0.13 0.00 0.21 0.00 0.00 52.86 55.93 3k4w s ASN 168 Cb 0.14 -2.58 0.64 0.00 -0.55 0.00 0.00 41.25 38.89 3k4w s ASN 168 CO 0.19 -0.79 1.41 -0.81 -2.79 0.00 0.00 177.10 174.31 3k4w n PRO 169 N 4.32 0.08 0.11 0.43 -0.04 -1.26 -2.24 135.00 136.40 3k4w n PRO 169 Ca 0.14 0.48 0.13 0.00 -0.04 0.00 0.00 63.50 64.21 3k4w n PRO 169 Cb 0.40 -1.70 0.64 0.00 -0.04 0.00 0.00 33.50 32.80 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 0.06 0.15 0.54 4.11 -1.96 -2.23 114.58 115.25 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 0.11 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.35 3k4w h GLU 170 CO 0.00 0.04 -0.07 0.45 0.07 0.00 0.00 179.01 179.50 3k4w h HIS 171 N 0.06 -0.18 -0.81 2.06 3.86 -1.82 -1.74 115.15 116.58 3k4w h HIS 171 Ca 0.13 -0.00 0.03 0.00 -1.16 0.00 0.00 60.37 59.37 3k4w h HIS 171 Cb 0.45 0.06 -0.04 0.00 1.06 0.00 0.00 27.41 28.94 3k4w h HIS 171 CO -0.00 0.26 0.54 0.97 0.86 0.00 0.00 177.93 180.56 3k4w h ILE 172 N -0.87 1.15 -0.22 2.45 2.10 -1.75 -2.69 117.51 117.68 3k4w h ILE 172 Ca -0.02 -0.35 0.03 0.00 1.08 0.00 0.00 64.86 65.59 3k4w h ILE 172 Cb 0.53 0.03 -0.03 0.00 -1.09 0.00 0.00 36.82 36.26 3k4w h ILE 172 CO 0.03 0.19 0.06 -0.78 -1.08 0.00 0.00 178.15 176.57 3k4w h ASP 173 N 1.03 0.05 -0.39 2.19 3.58 -1.38 -0.06 116.42 121.42 3k4w h ASP 173 Ca 0.32 0.03 0.08 0.00 0.42 0.00 0.00 57.03 57.87 3k4w h ASP 173 Cb -0.00 0.03 -0.07 0.00 1.72 0.00 0.00 39.33 41.01 3k4w h ASP 173 CO -0.09 0.06 -0.05 0.03 -2.88 0.00 0.00 179.24 176.31 3k4w h ARG 174 N 0.16 0.05 0.02 0.28 3.08 -1.00 -1.41 114.38 115.56 3k4w h ARG 174 Ca 0.10 -0.00 0.02 0.00 0.07 0.00 0.00 59.98 60.16 3k4w h ARG 174 Cb 0.08 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.10 3k4w h ARG 174 CO -0.12 0.03 -0.12 0.28 -1.07 0.00 0.00 179.97 178.97 3k4w h VAL 175 N 0.05 0.70 -0.55 2.04 2.07 -1.12 0.90 116.25 120.34 3k4w h VAL 175 Ca 0.19 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.75 3k4w h VAL 175 Cb 0.29 0.70 -0.04 0.00 -1.52 0.00 0.00 31.29 30.71 3k4w h VAL 175 CO -0.36 0.00 0.31 -0.07 0.02 0.00 0.00 177.57 177.46 3k4w h LEU 176 N -0.22 0.47 -0.99 2.57 3.38 -0.93 -0.37 115.31 119.23 3k4w h LEU 176 Ca 0.04 0.02 -0.05 0.00 0.09 0.00 0.00 57.88 57.97 3k4w h LEU 176 Cb 0.26 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 40.91 3k4w h LEU 176 CO -0.11 0.32 0.13 1.23 0.09 0.00 0.00 178.44 180.11 3k4w h GLY 177 N 0.60 0.93 1.65 0.83 0.00 -1.03 -3.02 103.07 103.03 3k4w h GLY 177 Ca 0.23 -0.54 0.00 0.00 0.00 0.00 0.00 47.33 47.02 3k4w h GLY 177 CO -0.13 0.51 -0.29 -0.55 0.00 0.00 0.00 176.54 176.07 3k4w h ASP 178 N 0.83 0.00 -2.21 0.19 3.32 -0.57 -3.38 116.42 114.60 3k4w h ASP 178 Ca 0.18 -0.05 -0.58 0.00 0.02 0.00 0.00 57.03 56.60 3k4w h ASP 178 Cb 0.31 0.00 -0.40 0.00 0.22 0.00 0.00 39.33 39.46 3k4w h ASP 178 CO -0.00 0.03 -0.89 0.49 -1.72 0.00 0.00 179.24 177.15 3k4w n PHE 179 N -2.52 1.06 0.58 4.55 3.72 -0.17 -4.97 117.46 119.71 3k4w n PHE 179 Ca 0.04 -3.77 0.10 0.00 -0.05 0.00 0.00 57.45 53.77 3k4w n PHE 179 Cb 0.48 -0.34 0.43 0.00 -0.94 0.00 0.00 39.48 39.10 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 1.51 0.08 -0.70 -1.08 -0.04 -1.15 -2.01 135.00 131.61 3k4w n PRO 180 Ca 0.25 0.25 0.07 0.00 -0.04 0.00 0.00 63.50 64.02 3k4w n PRO 180 Cb 0.47 -1.64 0.33 0.00 -0.04 0.00 0.00 33.50 32.63 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 -1.79 4.80 -4.55 3.54 8.00 -1.26 -4.73 116.55 120.56 3k4w n ASP 181 Ca 0.04 -3.01 -0.34 0.00 0.71 0.00 0.00 54.79 52.19 3k4w n ASP 181 Cb 0.25 -0.63 -0.11 0.00 -0.02 0.00 0.00 41.12 40.61 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 -2.83 3.41 -0.14 0.64 2.96 -0.85 -4.83 118.68 117.03 3k4w s LEU 182 Ca 0.49 -0.05 -0.22 0.00 -0.22 0.00 0.00 54.13 54.12 3k4w s LEU 182 Cb 0.39 -1.82 -0.03 0.00 0.50 0.00 0.00 46.19 45.22 3k4w s LEU 182 CO 0.12 0.19 0.68 -0.89 -1.32 0.00 0.00 176.35 175.13 3k4w s THR 183 N 0.22 5.02 -0.08 3.68 2.01 -1.26 -4.75 115.64 120.48 3k4w s THR 183 Ca -0.01 1.33 0.03 0.00 0.31 0.00 0.00 61.69 63.36 3k4w s THR 183 Cb -0.13 -4.00 0.01 0.00 0.01 0.00 0.00 72.50 68.38 3k4w s THR 183 CO 0.02 0.16 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.26 3k4w s VAL 184 N 1.46 1.52 -0.23 3.82 1.01 -0.87 -1.19 120.40 125.92 3k4w s VAL 184 Ca 0.33 -0.70 -0.07 0.00 0.00 0.00 0.00 61.98 61.55 3k4w s VAL 184 Cb -0.17 -1.35 -0.03 0.00 0.00 0.00 0.00 36.38 34.83 3k4w s VAL 184 CO 0.13 0.44 0.05 -0.69 0.00 0.00 0.00 175.10 175.03 3k4w s VAL 185 N 0.59 4.24 -0.55 2.92 1.01 0.40 -1.06 120.40 127.96 3k4w s VAL 185 Ca -0.15 -0.20 -0.23 0.00 0.00 0.00 0.00 61.98 61.40 3k4w s VAL 185 Cb -0.16 -2.96 0.05 0.00 0.00 0.00 0.00 36.38 33.31 3k4w s VAL 185 CO 0.05 0.38 0.87 -0.55 0.00 0.00 0.00 175.10 175.84 3k4w s SER 186 N 1.32 6.29 0.19 3.32 0.15 -0.09 -0.25 113.70 124.62 3k4w s SER 186 Ca 0.05 -0.58 -0.30 0.00 0.70 0.00 0.00 55.95 55.81 3k4w s SER 186 Cb -0.15 -2.40 -0.08 0.00 -1.71 0.00 0.00 66.02 61.69 3k4w s SER 186 CO 0.03 -1.17 1.00 -0.94 1.20 0.00 0.00 173.24 173.35 3k4w s SER 187 N 2.92 7.48 0.00 5.45 1.04 -0.57 -1.34 113.70 128.68 3k4w s SER 187 Ca 0.25 1.96 0.00 0.00 0.48 0.00 0.00 55.95 58.64 3k4w s SER 187 Cb -0.15 -2.60 0.00 0.00 0.10 0.00 0.00 66.02 63.37 3k4w s SER 187 CO 0.16 -0.03 0.00 1.41 0.98 0.00 0.00 173.24 175.76 3k4w n HIS 188 N 2.10 0.00 -3.38 5.02 8.25 0.84 -2.95 115.22 125.10 3k4w n HIS 188 Ca 0.01 0.00 -0.24 0.00 -0.26 0.00 0.00 57.72 57.22 3k4w n HIS 188 Cb 0.47 -0.48 0.04 0.00 1.12 0.00 0.00 29.99 31.14 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 -1.98 -0.52 2.22 -1.41 0.00 -0.86 -1.39 105.19 101.24 3k4w n GLY 189 Ca 0.00 0.17 -0.14 0.00 0.00 0.00 0.00 46.02 46.05 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 -2.67 -3.90 -4.76 1.61 5.15 -1.26 -4.88 115.26 104.55 3k4w n ASN 190 Ca -0.04 0.27 -0.41 0.00 -0.60 0.00 0.00 54.58 53.80 3k4w n ASN 190 Cb 0.58 -3.48 -0.01 0.00 -0.53 0.00 0.00 39.78 36.33 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 -2.39 2.75 -1.77 1.20 -0.00 -0.49 -1.52 118.94 116.73 3k4w s TRP 191 Ca 0.00 0.97 0.18 0.00 -0.00 0.00 0.00 56.10 57.25 3k4w s TRP 191 Cb 0.00 -4.00 0.58 0.00 -0.00 0.00 0.00 33.47 30.05 3k4w s TRP 191 CO 0.00 -3.20 1.48 -0.35 -0.00 0.00 0.00 176.95 174.88 3k4w n PRO 192 N 1.59 2.73 -1.81 5.86 -0.04 -1.26 -0.20 135.00 141.87 3k4w n PRO 192 Ca 0.05 -2.34 -0.41 0.00 -0.04 0.00 0.00 63.50 60.77 3k4w n PRO 192 Cb 0.39 -1.59 -0.01 0.00 -0.04 0.00 0.00 33.50 32.25 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 1.24 2.76 0.03 0.54 7.02 -0.58 -4.73 117.44 123.72 3k4w n TRP 193 Ca 0.22 -2.92 -0.19 0.00 -1.02 0.00 0.00 57.50 53.58 3k4w n TRP 193 Cb 0.61 -2.17 -0.13 0.00 -2.42 0.00 0.00 31.31 27.20 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 3.17 1.45 -0.57 -0.99 2.07 -1.92 -0.52 116.25 118.94 3k4w h VAL 194 Ca 0.67 -2.29 0.11 0.00 0.82 0.00 0.00 66.70 66.01 3k4w h VAL 194 Cb 0.42 2.85 -0.09 0.00 -1.52 0.00 0.00 31.29 32.94 3k4w h VAL 194 CO 1.67 0.66 0.07 1.56 0.02 0.00 0.00 177.57 181.55 3k4w h GLN 195 N -0.18 0.19 -0.35 1.57 4.20 -1.95 -1.03 115.11 117.56 3k4w h GLN 195 Ca -0.11 -0.01 -0.11 0.00 0.06 0.00 0.00 58.65 58.48 3k4w h GLN 195 Cb 1.49 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 29.22 3k4w h GLN 195 CO 0.14 0.12 -0.22 0.93 -0.67 0.00 0.00 178.83 179.13 3k4w h GLU 196 N 0.19 0.76 0.00 1.46 3.07 -1.93 -3.15 114.58 114.98 3k4w h GLU 196 Ca 0.30 -0.36 -0.02 0.00 -0.50 0.00 0.00 59.36 58.78 3k4w h GLU 196 Cb 0.46 -0.01 -0.00 0.00 -0.84 0.00 0.00 28.75 28.35 3k4w h GLU 196 CO -0.43 0.98 -0.09 0.97 -1.40 0.00 0.00 179.01 179.04 3k4w h ILE 197 N 0.54 0.34 -0.39 3.13 6.09 -0.46 -1.86 117.51 124.90 3k4w h ILE 197 Ca 0.07 -0.56 -0.15 0.00 -1.37 0.00 0.00 64.86 62.85 3k4w h ILE 197 Cb 0.78 1.42 -0.01 0.00 0.47 0.00 0.00 36.82 39.48 3k4w h ILE 197 CO 0.06 0.09 -0.33 0.40 -3.07 0.00 0.00 178.15 175.30 3k4w h ILE 198 N 0.00 1.27 -0.06 2.19 1.08 -1.17 -1.18 117.51 119.65 3k4w h ILE 198 Ca -0.00 -1.50 0.00 0.00 -0.39 0.00 0.00 64.86 62.97 3k4w h ILE 198 Cb 0.41 1.33 -0.00 0.00 -3.07 0.00 0.00 36.82 35.48 3k4w h ILE 198 CO 0.01 0.50 0.03 -0.74 -0.69 0.00 0.00 178.15 177.26 3k4w h HIS 199 N 0.74 0.06 0.06 1.37 -0.00 -1.47 0.38 115.15 116.28 3k4w h HIS 199 Ca 0.07 0.00 0.03 0.00 -0.00 0.00 0.00 60.37 60.47 3k4w h HIS 199 Cb 0.90 -0.02 -0.04 0.00 -0.00 0.00 0.00 27.41 28.25 3k4w h HIS 199 CO 0.05 0.04 -0.29 0.28 -0.00 0.00 0.00 177.93 178.01 3k4w h VAL 200 N 0.07 0.36 -0.84 5.26 2.07 -1.21 0.52 116.25 122.48 3k4w h VAL 200 Ca 0.02 0.00 0.15 0.00 0.82 0.00 0.00 66.70 67.69 3k4w h VAL 200 Cb -0.00 0.36 -0.10 0.00 -1.52 0.00 0.00 31.29 30.03 3k4w h VAL 200 CO -0.01 0.00 0.42 0.00 0.02 0.00 0.00 177.57 177.99 3k4w h ALA 201 N 0.27 1.27 -0.76 1.67 0.00 -1.23 0.40 119.26 120.87 3k4w h ALA 201 Ca 0.05 0.10 -0.00 0.00 0.00 0.00 0.00 54.91 55.05 3k4w h ALA 201 Cb 0.53 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.30 3k4w h ALA 201 CO -0.21 -0.13 0.46 0.35 0.00 0.00 0.00 179.25 179.72 3k4w h PHE 202 N 0.58 1.00 0.20 0.00 3.57 -0.13 -3.13 116.94 119.03 3k4w h PHE 202 Ca 0.47 0.00 -0.31 0.00 3.53 0.00 0.00 57.97 61.65 3k4w h PHE 202 Cb 0.69 -0.33 0.03 0.00 2.79 0.00 0.00 35.95 39.13 3k4w h PHE 202 CO -0.10 0.66 -1.37 -0.09 -2.23 0.00 0.00 178.31 175.17 3k4w h ARG 203 N 1.04 0.50 -4.38 1.11 2.43 -0.50 -3.44 114.38 111.14 3k4w h ARG 203 Ca 0.27 -0.80 -0.72 0.00 -0.81 0.00 0.00 59.98 57.92 3k4w h ARG 203 Cb -0.05 0.29 -0.29 0.00 -0.42 0.00 0.00 29.97 29.50 3k4w h ARG 203 CO -0.05 1.38 -0.44 1.03 -1.51 0.00 0.00 179.97 180.38 3k4w s ARG 204 N -2.70 2.50 0.40 0.20 1.81 0.14 -4.96 118.95 116.33 3k4w s ARG 204 Ca -0.08 -1.63 0.28 0.00 -1.72 0.00 0.00 55.73 52.58 3k4w s ARG 204 Cb 0.05 -3.83 1.36 0.00 -0.45 0.00 0.00 34.95 32.08 3k4w s ARG 204 CO 0.93 -1.08 1.86 -1.00 -0.68 0.00 0.00 175.30 175.33 3k4w h PRO 205 N 8.40 0.00 -0.63 3.54 0.13 -1.86 -2.57 132.00 139.02 3k4w h PRO 205 Ca -0.21 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.92 3k4w h PRO 205 Cb 1.08 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.21 3k4w h PRO 205 CO 0.80 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.66 3k4w n ASN 206 N -2.53 3.72 -4.73 1.44 3.02 -1.26 -4.92 115.26 110.00 3k4w n ASN 206 Ca -0.00 -1.99 -0.41 0.00 -0.03 0.00 0.00 54.58 52.15 3k4w n ASN 206 Cb 0.15 -0.42 -0.04 0.00 -0.61 0.00 0.00 39.78 38.86 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 -1.06 4.45 0.03 3.41 2.96 -0.97 -2.05 118.68 125.46 3k4w s LEU 207 Ca 0.43 1.61 0.08 0.00 -0.22 0.00 0.00 54.13 56.03 3k4w s LEU 207 Cb 0.23 -3.42 -0.03 0.00 0.50 0.00 0.00 46.19 43.47 3k4w s LEU 207 CO 0.30 -0.06 -0.24 -0.31 -1.32 0.00 0.00 176.35 174.72 3k4w s TYR 208 N 0.16 2.41 -0.11 5.38 2.02 -0.22 -4.89 117.35 122.09 3k4w s TYR 208 Ca 0.44 -0.36 0.01 0.00 -0.37 0.00 0.00 57.07 56.78 3k4w s TYR 208 Cb -0.22 -1.44 -0.02 0.00 -0.40 0.00 0.00 41.96 39.89 3k4w s TYR 208 CO 0.26 0.14 -0.13 -0.51 -1.57 0.00 0.00 175.55 173.74 3k4w s LEU 209 N -1.17 2.76 -0.55 -1.29 1.43 0.17 -0.91 118.68 119.12 3k4w s LEU 209 Ca 0.12 -0.27 0.05 0.00 -1.03 0.00 0.00 54.13 53.00 3k4w s LEU 209 Cb -0.10 -1.61 0.18 0.00 0.03 0.00 0.00 46.19 44.70 3k4w s LEU 209 CO 0.02 0.22 0.45 -0.24 0.23 0.00 0.00 176.35 177.04 3k4w n SER 210 N 3.13 1.39 0.23 2.29 2.88 -0.45 -1.36 113.62 121.73 3k4w n SER 210 Ca -0.18 -2.84 0.06 0.00 -1.33 0.00 0.00 58.87 54.59 3k4w n SER 210 Cb 0.53 -0.66 0.54 0.00 -0.75 0.00 0.00 64.21 63.87 3k4w n SER 210 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 3k4w h PRO 211 N 5.28 0.00 0.00 -1.46 0.13 -1.80 0.24 132.00 134.40 3k4w h PRO 211 Ca 0.20 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.33 3k4w h PRO 211 Cb 0.82 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.95 3k4w h PRO 211 CO 0.56 0.17 0.00 -0.40 -0.23 0.00 0.00 178.00 178.10 3k4w n ASP 212 N -4.24 0.00 0.27 1.44 5.68 -1.26 -1.74 116.55 116.70 3k4w n ASP 212 Ca -0.02 0.00 0.10 0.00 -0.50 0.00 0.00 54.79 54.36 3k4w n ASP 212 Cb 0.24 0.00 0.70 0.00 -1.14 0.00 0.00 41.12 40.92 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 0.00 -0.01 0.11 -0.00 -1.75 -2.84 114.93 110.44 3k4w h MET 213 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.70 3k4w h MET 213 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.60 3k4w h MET 213 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.91 177.57 3k4w n TYR 214 N -4.39 0.01 0.24 -0.10 4.01 -0.71 -2.87 117.16 113.34 3k4w n TYR 214 Ca -0.03 -0.00 0.12 0.00 -0.16 0.00 0.00 57.90 57.83 3k4w n TYR 214 Cb 0.09 0.00 0.22 0.00 -0.31 0.00 0.00 39.34 39.34 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 0.65 0.00 -8.72 7.72 5.85 -1.64 -3.42 115.31 115.74 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 0.14 0.00 -0.10 0.00 0.37 0.00 0.00 40.66 41.07 3k4w h LEU 215 CO 0.00 0.00 0.65 -0.47 -0.34 0.00 0.00 178.44 178.28 3k4w s TYR 216 N -3.24 2.95 -1.56 1.25 5.04 -1.14 -4.31 117.35 116.33 3k4w s TYR 216 Ca 0.07 0.55 -0.09 0.00 -2.44 0.00 0.00 57.07 55.15 3k4w s TYR 216 Cb 0.06 -3.97 0.08 0.00 0.35 0.00 0.00 41.96 38.48 3k4w s TYR 216 CO 0.66 -1.06 0.60 -1.71 -1.34 0.00 0.00 175.55 172.70 3k4w n ASN 217 N 7.18 -1.86 -4.26 4.32 5.15 -1.26 -4.96 115.26 119.58 3k4w n ASN 217 Ca 0.07 -1.01 -0.14 0.00 -0.60 0.00 0.00 54.58 52.90 3k4w n ASN 217 Cb 0.48 -2.88 -0.10 0.00 -0.53 0.00 0.00 39.78 36.75 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 -7.15 1.75 0.48 1.20 1.43 -1.26 -5.10 118.68 110.03 3k4w s LEU 218 Ca 0.38 -1.29 -0.24 0.00 -1.03 0.00 0.00 54.13 51.95 3k4w s LEU 218 Cb -0.21 0.07 -0.07 0.00 0.03 0.00 0.00 46.19 46.02 3k4w s LEU 218 CO 0.91 -0.69 1.35 -2.84 0.23 0.00 0.00 176.35 175.31 3k4w s PRO 219 N -4.01 3.53 0.00 1.29 0.02 -1.26 -2.61 135.00 131.96 3k4w s PRO 219 Ca 0.32 2.23 0.00 0.00 0.02 0.00 0.00 61.00 63.57 3k4w s PRO 219 Cb 0.07 -2.49 0.00 0.00 0.02 0.00 0.00 34.50 32.10 3k4w s PRO 219 CO 0.09 -0.87 0.00 0.41 -0.33 0.00 0.00 177.00 176.29 3k4w n GLY 220 N 0.64 0.74 0.17 0.52 0.00 -1.26 -4.94 105.19 101.06 3k4w n GLY 220 Ca 0.07 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.00 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 0.50 -0.29 1.61 6.17 -1.79 -1.70 115.15 119.65 3k4w h HIS 221 Ca 0.00 -0.01 -0.11 0.00 0.71 0.00 0.00 60.37 60.96 3k4w h HIS 221 Cb 0.00 -0.16 -0.01 0.00 2.52 0.00 0.00 27.41 29.76 3k4w h HIS 221 CO 0.00 0.39 -0.29 0.00 0.71 0.00 0.00 177.93 178.74 3k4w h ALA 222 N 1.07 0.97 -0.75 5.26 0.00 -1.92 -2.04 119.26 121.85 3k4w h ALA 222 Ca 0.13 -0.38 -0.02 0.00 0.00 0.00 0.00 54.91 54.64 3k4w h ALA 222 Cb 0.05 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 3k4w h ALA 222 CO -0.02 0.60 0.40 -0.44 0.00 0.00 0.00 179.25 179.79 3k4w h ASP 223 N 0.51 0.94 -0.34 0.00 3.32 -1.91 -1.14 116.42 117.80 3k4w h ASP 223 Ca 0.06 -0.10 -0.09 0.00 0.02 0.00 0.00 57.03 56.92 3k4w h ASP 223 Cb 0.76 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 40.06 3k4w h ASP 223 CO 0.06 0.78 -0.12 -0.26 -1.72 0.00 0.00 179.24 177.97 3k4w h PHE 224 N 1.03 0.79 -0.27 4.55 0.04 -0.91 -2.46 116.94 119.71 3k4w h PHE 224 Ca 0.26 -0.18 -0.04 0.00 2.80 0.00 0.00 57.97 60.81 3k4w h PHE 224 Cb 0.05 -0.19 -0.01 0.00 2.20 0.00 0.00 35.95 38.01 3k4w h PHE 224 CO 0.00 0.88 0.03 0.82 -0.60 0.00 0.00 178.31 179.44 3k4w h ILE 225 N 0.47 1.24 -0.55 -0.55 1.08 -1.31 -0.73 117.51 117.17 3k4w h ILE 225 Ca 0.08 -0.83 0.06 0.00 -0.39 0.00 0.00 64.86 63.79 3k4w h ILE 225 Cb 0.65 1.25 -0.06 0.00 -3.07 0.00 0.00 36.82 35.59 3k4w h ILE 225 CO 0.04 0.27 0.24 -0.61 -0.69 0.00 0.00 178.15 177.40 3k4w h GLN 226 N 0.27 0.45 -0.74 2.37 4.15 -1.22 -0.49 115.11 119.90 3k4w h GLN 226 Ca 0.08 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.48 3k4w h GLN 226 Cb 0.36 -0.10 -0.04 0.00 0.21 0.00 0.00 27.48 27.91 3k4w h GLN 226 CO 0.01 0.30 0.48 0.00 -1.93 0.00 0.00 178.83 177.68 3k4w h ALA 227 N 1.33 1.46 -0.08 3.38 0.00 -1.35 -2.41 119.26 121.58 3k4w h ALA 227 Ca 0.26 -0.06 -0.09 0.00 0.00 0.00 0.00 54.91 55.02 3k4w h ALA 227 Cb 0.23 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 3k4w h ALA 227 CO -0.22 0.50 -0.37 0.00 0.00 0.00 0.00 179.25 179.16 3k4w h ALA 228 N 1.52 1.24 -0.17 0.00 0.00 -0.06 0.35 119.26 122.16 3k4w h ALA 228 Ca 0.27 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.81 3k4w h ALA 228 Cb -0.10 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.61 3k4w h ALA 228 CO -0.06 0.53 0.00 0.09 0.00 0.00 0.00 179.25 179.81 3k4w n ASN 229 N -4.07 1.06 0.00 0.00 3.02 -0.30 -3.38 115.26 111.59 3k4w n ASN 229 Ca -0.01 -1.84 0.00 0.00 -0.03 0.00 0.00 54.58 52.69 3k4w n ASN 229 Cb 0.43 -0.11 0.00 0.00 -0.61 0.00 0.00 39.78 39.49 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 0.01 0.00 0.26 6.41 3.41 -0.79 -4.98 113.62 117.95 3k4w n SER 230 Ca 0.10 0.00 0.17 0.00 -0.26 0.00 0.00 58.87 58.89 3k4w n SER 230 Cb 0.19 0.00 0.93 0.00 -0.26 0.00 0.00 64.21 65.07 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 0.00 -0.38 7.33 -5.15 -1.86 -2.93 116.94 113.96 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 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.17 3k4w h PHE 231 CO 0.00 0.00 0.00 -0.11 -2.00 0.00 0.00 178.31 176.20 3k4w n LEU 232 N -2.71 3.44 -0.28 2.10 7.94 0.12 -4.42 117.00 123.19 3k4w n LEU 232 Ca -0.02 -1.51 0.04 0.00 -1.11 0.00 0.00 56.01 53.42 3k4w n LEU 232 Cb 0.06 -0.24 0.26 0.00 0.53 0.00 0.00 43.42 44.03 3k4w n LEU 232 CO 0.16 0.74 1.24 0.00 -1.11 0.00 0.00 177.39 178.42 3k4w h ALA 233 N 4.38 1.55 -0.07 1.96 0.00 -1.52 0.33 119.26 125.89 3k4w h ALA 233 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3k4w h ALA 233 Cb 0.97 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.51 3k4w h ALA 233 CO 0.00 0.32 0.00 -0.25 0.00 0.00 0.00 179.25 179.32 3k4w n ASP 234 N -4.49 0.77 -0.18 0.00 8.00 -1.26 -4.20 116.55 115.20 3k4w n ASP 234 Ca 0.13 -1.54 0.02 0.00 0.71 0.00 0.00 54.79 54.11 3k4w n ASP 234 Cb 0.20 -0.05 0.03 0.00 -0.02 0.00 0.00 41.12 41.29 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 -0.28 0.84 -4.16 -1.24 1.74 0.09 -4.84 116.66 108.81 3k4w n ARG 235 Ca 0.15 -1.33 -0.30 0.00 -0.77 0.00 0.00 57.85 55.60 3k4w n ARG 235 Cb 0.19 -0.82 -0.08 0.00 -1.02 0.00 0.00 32.46 30.72 3k4w n ARG 235 CO 0.00 0.00 0.00 -1.64 -1.52 0.00 0.00 177.63 174.47 3k4w s MET 236 N -0.85 2.45 -0.16 5.56 -1.94 -1.09 0.44 119.30 123.71 3k4w s MET 236 Ca 0.07 -0.88 -0.02 0.00 -1.71 0.00 0.00 55.69 53.16 3k4w s MET 236 Cb 0.06 -2.48 0.05 0.00 2.01 0.00 0.00 34.83 34.47 3k4w s MET 236 CO 0.01 0.53 -0.00 -0.51 -0.01 0.00 0.00 175.02 175.04 3k4w s LEU 237 N -2.27 1.21 0.18 -0.03 1.43 -0.46 -4.33 118.68 114.41 3k4w s LEU 237 Ca 0.25 -0.60 -0.33 0.00 -1.03 0.00 0.00 54.13 52.41 3k4w s LEU 237 Cb -0.12 -0.67 -0.15 0.00 0.03 0.00 0.00 46.19 45.28 3k4w s LEU 237 CO 0.17 -0.24 1.34 0.33 0.23 0.00 0.00 176.35 178.19 3k4w n PHE 238 N 5.01 1.78 -3.60 0.29 7.35 0.30 -4.53 117.46 124.06 3k4w n PHE 238 Ca -0.09 0.52 -0.15 0.00 -0.76 0.00 0.00 57.45 56.97 3k4w n PHE 238 Cb 0.48 -2.39 -0.07 0.00 0.35 0.00 0.00 39.48 37.85 3k4w n PHE 238 CO 0.00 0.00 0.00 0.20 -0.76 0.00 0.00 176.76 176.20 3k4w s GLY 239 N 0.34 -0.55 0.01 7.13 0.00 -1.26 -1.55 107.32 111.43 3k4w s GLY 239 Ca 0.75 1.82 0.21 0.00 0.00 0.00 0.00 44.72 47.50 3k4w s GLY 239 CO 0.48 1.51 0.58 -1.30 0.00 0.00 0.00 173.10 174.37 3k4w n THR 240 N 2.15 0.32 -2.03 0.90 -2.24 -1.26 -4.13 114.28 107.98 3k4w n THR 240 Ca -0.15 -0.55 -0.18 0.00 -2.27 0.00 0.00 64.05 60.89 3k4w n THR 240 Cb 0.56 -0.15 -0.03 0.00 -2.10 0.00 0.00 70.33 68.60 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 -2.29 -0.43 -1.64 6.98 0.00 -0.72 -4.01 120.51 118.39 3k4w n ALA 241 Ca -0.06 0.20 -0.46 0.00 0.00 0.00 0.00 53.44 53.12 3k4w n ALA 241 Cb 0.63 -1.91 -0.03 0.00 0.00 0.00 0.00 19.45 18.15 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 -3.45 1.88 1.20 0.00 9.36 -1.09 -0.92 117.16 124.13 3k4w n TYR 242 Ca -0.20 0.53 0.08 0.00 3.32 0.00 0.00 57.90 61.63 3k4w n TYR 242 Cb 0.63 -2.39 0.30 0.00 -0.63 0.00 0.00 39.34 37.25 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 1.75 1.67 0.14 2.98 -0.04 -1.26 -0.17 135.00 140.08 3k4w n PRO 243 Ca 0.12 -1.03 0.05 0.00 -0.04 0.00 0.00 63.50 62.61 3k4w n PRO 243 Cb 0.30 -1.33 0.51 0.00 -0.04 0.00 0.00 33.50 32.95 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 1.90 0.23 -4.95 0.54 2.86 -1.34 -3.42 114.93 110.75 3k4w h MET 244 Ca 0.00 -0.02 -0.47 0.00 -2.06 0.00 0.00 59.70 57.15 3k4w h MET 244 Cb 0.42 -0.05 -0.30 0.00 0.06 0.00 0.00 31.60 31.73 3k4w h MET 244 CO 0.00 0.20 -0.80 0.00 1.06 0.00 0.00 176.91 177.37 3k4w s PRO 246 N -0.01 3.33 0.10 0.00 0.04 -1.26 -4.05 135.00 133.14 3k4w s PRO 246 Ca -0.00 2.18 -0.16 0.00 0.04 0.00 0.00 61.00 63.06 3k4w s PRO 246 Cb -0.08 -2.34 -0.07 0.00 0.04 0.00 0.00 34.50 32.04 3k4w s PRO 246 CO 0.01 -1.02 1.46 -0.07 0.04 0.00 0.00 177.00 177.42 3k4w h LEU 247 N 1.69 0.64 0.20 -3.56 3.38 -1.97 -2.96 115.31 112.73 3k4w h LEU 247 Ca -0.51 -0.41 -0.01 0.00 0.09 0.00 0.00 57.88 57.05 3k4w h LEU 247 Cb 1.29 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.86 3k4w h LEU 247 CO 0.58 0.90 -0.09 0.50 0.09 0.00 0.00 178.44 180.42 3k4w h LYS 248 N 0.37 -0.25 -0.22 1.13 3.64 -1.93 -1.68 116.57 117.63 3k4w h LYS 248 Ca 0.07 0.02 -0.11 0.00 -1.27 0.00 0.00 60.65 59.35 3k4w h LYS 248 Cb 0.66 0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 32.53 3k4w h LYS 248 CO 0.04 0.14 -0.30 0.93 -2.27 0.00 0.00 179.45 177.99 3k4w h GLU 249 N -0.77 0.59 -0.27 1.90 3.07 -1.98 -1.64 114.58 115.48 3k4w h GLU 249 Ca -0.03 -0.34 0.06 0.00 -0.50 0.00 0.00 59.36 58.55 3k4w h GLU 249 Cb 0.51 0.03 -0.06 0.00 -0.84 0.00 0.00 28.75 28.38 3k4w h GLU 249 CO 0.04 0.95 -0.15 -0.92 -1.40 0.00 0.00 179.01 177.53 3k4w h TYR 250 N 0.28 -0.36 -0.28 4.33 3.20 -1.61 -1.92 116.97 120.62 3k4w h TYR 250 Ca 0.03 0.03 -0.00 0.00 3.14 0.00 0.00 58.73 61.92 3k4w h TYR 250 Cb 0.87 0.20 -0.01 0.00 1.54 0.00 0.00 36.73 39.33 3k4w h TYR 250 CO 0.08 -0.22 0.16 1.15 -1.64 0.00 0.00 178.16 177.69 3k4w h THR 251 N -0.12 1.12 -0.84 1.81 2.02 -1.02 -0.90 112.91 114.98 3k4w h THR 251 Ca 0.14 -0.30 0.12 0.00 0.77 0.00 0.00 66.41 67.14 3k4w h THR 251 Cb 0.33 0.81 -0.08 0.00 -1.74 0.00 0.00 68.15 67.47 3k4w h THR 251 CO -0.34 0.12 0.46 -0.33 0.37 0.00 0.00 175.52 175.80 3k4w h GLU 252 N 0.34 0.70 -0.27 6.66 5.08 -1.26 -0.89 114.58 124.93 3k4w h GLU 252 Ca 0.10 -0.04 -0.14 0.00 -1.00 0.00 0.00 59.36 58.27 3k4w h GLU 252 Cb 0.05 -0.16 -0.00 0.00 0.50 0.00 0.00 28.75 29.14 3k4w h GLU 252 CO -0.02 0.46 -0.39 2.35 -1.00 0.00 0.00 179.01 180.42 3k4w h TRP 253 N 0.72 0.92 -0.47 4.33 7.01 -0.64 -3.06 115.95 124.75 3k4w h TRP 253 Ca 0.43 -0.30 -0.01 0.00 2.11 0.00 0.00 58.89 61.11 3k4w h TRP 253 Cb 0.51 -0.18 -0.02 0.00 -2.10 0.00 0.00 29.16 27.36 3k4w h TRP 253 CO -0.07 1.08 0.24 0.35 -2.79 0.00 0.00 178.44 177.25 3k4w h PHE 254 N 0.49 0.67 -0.27 2.65 3.57 -0.80 -0.45 116.94 122.80 3k4w h PHE 254 Ca 0.03 -0.03 0.08 0.00 3.53 0.00 0.00 57.97 61.58 3k4w h PHE 254 Cb 0.98 -0.21 -0.01 0.00 2.79 0.00 0.00 35.95 39.50 3k4w h PHE 254 CO 0.08 0.52 0.35 -0.07 -2.23 0.00 0.00 178.31 176.96 3k4w h LEU 255 N 0.62 0.00 -0.07 0.59 3.38 -1.16 -2.05 115.31 116.62 3k4w h LEU 255 Ca 0.16 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.13 3k4w h LEU 255 Cb 0.10 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.85 3k4w h LEU 255 CO -0.02 0.00 -0.25 0.35 0.09 0.00 0.00 178.44 178.61 3k4w n THR 256 N -3.61 0.00 -1.84 0.22 -2.24 -0.19 -4.93 114.28 101.69 3k4w n THR 256 Ca 0.04 -0.02 -0.38 0.00 -2.27 0.00 0.00 64.05 61.42 3k4w n THR 256 Cb 0.48 -0.06 0.04 0.00 -2.10 0.00 0.00 70.33 68.69 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 -2.87 3.84 -1.41 3.22 1.43 -0.77 -4.89 118.68 117.23 3k4w s LEU 257 Ca 0.16 2.69 -0.09 0.00 -1.03 0.00 0.00 54.13 55.86 3k4w s LEU 257 Cb 0.19 -4.30 -0.09 0.00 0.03 0.00 0.00 46.19 42.01 3k4w s LEU 257 CO 0.59 -1.52 2.81 -0.81 0.23 0.00 0.00 176.35 177.65 3k4w n PRO 258 N -1.04 3.30 -4.09 1.29 -0.04 -1.26 -4.89 135.00 128.26 3k4w n PRO 258 Ca 0.10 -1.99 -0.35 0.00 -0.04 0.00 0.00 63.50 61.23 3k4w n PRO 258 Cb 0.46 -2.69 -0.10 0.00 -0.04 0.00 0.00 33.50 31.13 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 2.38 4.66 0.66 0.52 1.01 -1.26 -4.96 121.20 124.21 3k4w s ILE 259 Ca 0.63 -0.09 -0.15 0.00 0.00 0.00 0.00 60.65 61.05 3k4w s ILE 259 Cb 0.17 -3.07 0.00 0.00 0.01 0.00 0.00 42.46 39.57 3k4w s ILE 259 CO -0.05 0.49 1.10 -1.59 0.00 0.00 0.00 174.94 174.89 3k4w s LYS 260 N 0.13 2.81 0.22 2.79 -2.85 -1.26 -4.66 119.74 116.93 3k4w s LYS 260 Ca 0.04 1.35 -0.09 0.00 -1.00 0.00 0.00 55.97 56.27 3k4w s LYS 260 Cb -0.12 -1.96 0.23 0.00 -2.06 0.00 0.00 37.83 33.92 3k4w s LYS 260 CO 0.01 -1.23 1.85 -1.35 0.10 0.00 0.00 175.35 174.73 3k4w h PRO 261 N -0.03 0.88 -0.35 1.78 0.11 -1.99 -0.73 132.00 131.68 3k4w h PRO 261 Ca -0.46 -0.05 -0.14 0.00 0.11 0.00 0.00 66.00 65.45 3k4w h PRO 261 Cb 1.24 -0.20 -0.01 0.00 0.11 0.00 0.00 31.00 32.15 3k4w h PRO 261 CO 0.54 0.58 -0.36 0.38 -0.21 0.00 0.00 178.00 178.94 3k4w h ASP 262 N 0.90 0.86 -0.36 -2.05 2.03 -2.00 -2.11 116.42 113.69 3k4w h ASP 262 Ca 0.31 -0.37 -0.01 0.00 -0.73 0.00 0.00 57.03 56.22 3k4w h ASP 262 Cb 0.05 -0.24 -0.02 0.00 -0.83 0.00 0.00 39.33 38.29 3k4w h ASP 262 CO -0.12 1.12 0.20 0.00 -1.03 0.00 0.00 179.24 179.41 3k4w h ALA 263 N 0.92 1.61 -0.17 4.15 0.00 -1.69 -2.72 119.26 121.36 3k4w h ALA 263 Ca 0.06 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 3k4w h ALA 263 Cb 0.91 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 3k4w h ALA 263 CO 0.08 0.32 -0.05 1.98 0.00 0.00 0.00 179.25 181.58 3k4w h MET 264 N 0.54 0.34 -0.70 0.00 -1.53 -0.69 -0.65 114.93 112.24 3k4w h MET 264 Ca 0.14 -0.13 0.03 0.00 -3.44 0.00 0.00 59.70 56.29 3k4w h MET 264 Cb 0.04 -0.02 -0.04 0.00 -0.55 0.00 0.00 31.60 31.04 3k4w h MET 264 CO -0.02 0.62 0.46 1.05 0.14 0.00 0.00 176.91 179.16 3k4w h GLU 265 N 0.04 0.85 -0.29 0.39 4.11 -1.28 -0.19 114.58 118.20 3k4w h GLU 265 Ca 0.04 -0.05 -0.08 0.00 0.07 0.00 0.00 59.36 59.34 3k4w h GLU 265 Cb 0.50 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.55 3k4w h GLU 265 CO 0.02 0.56 -0.13 0.87 0.07 0.00 0.00 179.01 180.40 3k4w h LYS 266 N 0.87 0.60 -0.14 1.06 1.57 -1.13 -1.76 116.57 117.64 3k4w h LYS 266 Ca 0.27 -0.26 -0.19 0.00 -1.87 0.00 0.00 60.65 58.60 3k4w h LYS 266 Cb 0.02 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.31 3k4w h LYS 266 CO -0.07 0.83 -0.70 0.82 -0.57 0.00 0.00 179.45 179.75 3k4w h ILE 267 N 0.35 1.32 -0.33 1.86 2.04 -0.59 0.28 117.51 122.44 3k4w h ILE 267 Ca 0.07 -1.98 -0.10 0.00 1.00 0.00 0.00 64.86 63.85 3k4w h ILE 267 Cb 0.64 1.96 -0.02 0.00 -0.74 0.00 0.00 36.82 38.67 3k4w h ILE 267 CO 0.04 0.62 -0.19 -0.07 0.00 0.00 0.00 178.15 178.54 3k4w h LEU 268 N 0.43 0.62 0.00 1.44 3.38 -1.13 0.86 115.31 120.91 3k4w h LEU 268 Ca -0.03 -0.20 0.00 0.00 0.09 0.00 0.00 57.88 57.74 3k4w h LEU 268 Cb 1.29 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.87 3k4w h LEU 268 CO 0.13 0.81 0.00 0.00 0.09 0.00 0.00 178.44 179.48 3k4w n HIS 269 N -4.14 0.00 -0.21 1.13 1.44 -0.97 -1.04 115.22 111.43 3k4w n HIS 269 Ca 0.00 0.00 -0.04 0.00 -2.01 0.00 0.00 57.72 55.67 3k4w n HIS 269 Cb 0.39 0.00 0.06 0.00 0.12 0.00 0.00 29.99 30.56 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 0.87 0.97 -1.39 0.00 -0.55 -0.46 103.07 102.51 3k4w h GLY 270 Ca 0.00 -0.27 -0.01 0.00 0.00 0.00 0.00 47.33 47.04 3k4w h GLY 270 CO 0.00 0.22 0.25 3.43 0.00 0.00 0.00 176.54 180.44 3k4w h ASN 271 N 0.71 0.63 -0.26 0.19 2.35 -0.74 -1.88 115.58 116.59 3k4w h ASN 271 Ca 0.25 -0.11 -0.06 0.00 -0.55 0.00 0.00 56.30 55.83 3k4w h ASN 271 Cb 0.05 -0.16 -0.02 0.00 0.05 0.00 0.00 38.32 38.24 3k4w h ASN 271 CO -0.11 0.56 -0.02 0.00 -1.65 0.00 0.00 177.43 176.21 3k4w h ALA 272 N 1.09 1.29 -0.47 -0.83 0.00 -1.66 -2.47 119.26 116.22 3k4w h ALA 272 Ca 0.17 -0.22 -0.08 0.00 0.00 0.00 0.00 54.91 54.78 3k4w h ALA 272 Cb 0.09 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 3k4w h ALA 272 CO -0.02 0.48 -0.02 0.93 0.00 0.00 0.00 179.25 180.61 3k4w h GLU 273 N 0.55 0.80 -0.65 0.00 5.08 -0.87 0.03 114.58 119.52 3k4w h GLU 273 Ca 0.11 -0.23 -0.04 0.00 -1.00 0.00 0.00 59.36 58.21 3k4w h GLU 273 Cb 0.38 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.51 3k4w h GLU 273 CO 0.01 0.82 0.26 -0.09 -1.00 0.00 0.00 179.01 179.01 3k4w h ARG 274 N 0.74 0.97 -0.22 2.33 2.43 -0.94 -1.58 114.38 118.11 3k4w h ARG 274 Ca 0.14 -0.18 -0.03 0.00 -0.81 0.00 0.00 59.98 59.10 3k4w h ARG 274 Cb 0.48 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 29.87 3k4w h ARG 274 CO 0.02 0.82 0.00 -0.07 -1.51 0.00 0.00 179.97 179.23 3k4w h LEU 275 N 0.91 0.37 -0.60 3.80 4.07 -1.12 -0.52 115.31 122.23 3k4w h LEU 275 Ca 0.22 -0.31 0.02 0.00 0.08 0.00 0.00 57.88 57.89 3k4w h LEU 275 Cb 0.21 -0.10 -0.04 0.00 1.08 0.00 0.00 40.66 41.81 3k4w h LEU 275 CO -0.02 0.59 0.37 -0.07 -1.08 0.00 0.00 178.44 178.23 3k4w h LEU 276 N 0.15 0.61 -1.02 1.67 3.38 -1.01 -1.54 115.31 117.56 3k4w h LEU 276 Ca 0.06 -0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.97 3k4w h LEU 276 Cb 0.40 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.99 3k4w h LEU 276 CO 0.01 0.43 0.04 0.00 0.09 0.00 0.00 178.44 179.01 3k4w h ALA 277 N 1.26 1.19 -0.39 1.53 0.00 -1.27 0.66 119.26 122.23 3k4w h ALA 277 Ca 0.24 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 3k4w h ALA 277 Cb 0.00 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 3k4w h ALA 277 CO -0.09 0.54 0.13 0.37 0.00 0.00 0.00 179.25 180.19 3k4w h GLN 278 N 0.71 0.60 0.06 0.00 4.15 -0.82 -3.25 115.11 116.57 3k4w h GLN 278 Ca 0.15 -0.13 -0.12 0.00 0.77 0.00 0.00 58.65 59.32 3k4w h GLN 278 Cb 0.38 -0.09 0.01 0.00 0.21 0.00 0.00 27.48 27.99 3k4w h GLN 278 CO 0.01 0.60 -0.49 0.00 -1.93 0.00 0.00 178.83 177.02 3k4w h ALA 279 N 0.97 -0.02 -0.46 3.38 0.00 -1.17 -3.48 119.26 118.48 3k4w h ALA 279 Ca 0.13 -0.59 0.00 0.00 0.00 0.00 0.00 54.91 54.45 3k4w h ALA 279 Cb 0.25 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.09 3k4w h ALA 279 CO -0.00 0.23 0.00 0.41 0.00 0.00 0.00 179.25 179.89 3k4w n GLY 280 N 1.42 1.49 0.18 0.00 0.00 0.23 -4.82 105.19 103.68 3k4w n GLY 280 Ca -0.12 -0.46 0.00 0.00 0.00 0.00 0.00 46.02 45.45 3k4w n GLY 280 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19