#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3k4w n LYS 2 N 0.00 2.67 -4.16 3.23 4.81 -1.26 -4.93 118.16 118.52 3k4w n LYS 2 Ca 0.00 0.94 -0.19 0.00 -0.87 0.00 0.00 58.31 58.18 3k4w n LYS 2 Cb 0.00 -2.67 -0.16 0.00 0.02 0.00 0.00 35.03 32.21 3k4w n LYS 2 CO 0.00 0.00 0.00 0.42 1.17 0.00 0.00 177.40 178.99 3k4w s ILE 3 N -1.12 0.51 -0.19 3.15 1.01 -1.21 -4.26 121.20 119.08 3k4w s ILE 3 Ca 0.53 -0.12 -0.02 0.00 0.00 0.00 0.00 60.65 61.04 3k4w s ILE 3 Cb -0.47 -0.53 -0.01 0.00 0.01 0.00 0.00 42.46 41.46 3k4w s ILE 3 CO 0.64 0.21 -0.09 -0.63 0.00 0.00 0.00 174.94 175.07 3k4w s ILE 4 N 0.84 3.10 -0.29 2.92 1.01 0.26 -1.36 121.20 127.67 3k4w s ILE 4 Ca -0.11 -0.60 -0.22 0.00 0.00 0.00 0.00 60.65 59.72 3k4w s ILE 4 Cb -0.14 -2.38 -0.01 0.00 0.01 0.00 0.00 42.46 39.95 3k4w s ILE 4 CO 0.00 0.46 0.71 -0.62 0.00 0.00 0.00 174.94 175.50 3k4w s ASP 5 N 1.18 6.60 0.00 3.58 -1.08 0.23 -4.68 116.67 122.51 3k4w s ASP 5 Ca 0.02 0.61 0.26 0.00 -0.52 0.00 0.00 52.55 52.92 3k4w s ASP 5 Cb -0.14 -2.37 1.15 0.00 -1.46 0.00 0.00 42.92 40.10 3k4w s ASP 5 CO -0.03 -0.52 1.85 0.33 0.52 0.00 0.00 175.17 177.31 3k4w n PHE 6 N 6.00 0.00 -3.45 -5.34 7.35 -0.32 -0.45 117.46 121.26 3k4w n PHE 6 Ca 0.02 0.00 -0.27 0.00 -0.76 0.00 0.00 57.45 56.44 3k4w n PHE 6 Cb 0.48 -0.46 -0.11 0.00 0.35 0.00 0.00 39.48 39.74 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 -2.92 0.53 -0.13 -4.13 3.52 -1.26 -4.57 118.95 109.99 3k4w s ARG 7 Ca 0.15 -1.17 -0.01 0.00 -0.13 0.00 0.00 55.73 54.57 3k4w s ARG 7 Cb 0.17 -1.18 0.04 0.00 -1.56 0.00 0.00 34.95 32.42 3k4w s ARG 7 CO 0.46 -1.19 -0.03 -1.17 -0.81 0.00 0.00 175.30 172.56 3k4w s LEU 8 N 1.23 1.17 -0.50 -0.88 0.20 0.17 -2.01 118.68 118.06 3k4w s LEU 8 Ca 0.17 -0.45 -0.09 0.00 0.69 0.00 0.00 54.13 54.45 3k4w s LEU 8 Cb -0.21 -0.72 0.13 0.00 -0.43 0.00 0.00 46.19 44.96 3k4w s LEU 8 CO -0.03 -0.19 0.38 -0.13 -0.29 0.00 0.00 176.35 176.09 3k4w s ARG 9 N 1.78 2.54 0.56 1.98 3.00 -0.71 -3.95 118.95 124.15 3k4w s ARG 9 Ca 0.03 -1.87 -0.16 0.00 0.00 0.00 0.00 55.73 53.73 3k4w s ARG 9 Cb -0.14 -3.94 -0.05 0.00 0.00 0.00 0.00 34.95 30.82 3k4w s ARG 9 CO -0.07 -1.20 1.03 -1.25 0.00 0.00 0.00 175.30 173.81 3k4w s PRO 10 N 1.18 3.56 -1.52 3.54 0.04 -1.26 -4.28 135.00 136.26 3k4w s PRO 10 Ca 0.07 1.10 -0.11 0.00 0.04 0.00 0.00 61.00 62.10 3k4w s PRO 10 Cb -0.25 -2.07 -0.01 0.00 0.04 0.00 0.00 34.50 32.21 3k4w s PRO 10 CO -0.01 -0.60 2.56 -0.35 0.04 0.00 0.00 177.00 178.63 3k4w n PRO 11 N -1.87 3.42 -4.11 0.56 -0.04 -1.26 -4.65 135.00 127.05 3k4w n PRO 11 Ca 0.08 -2.54 -0.15 0.00 -0.04 0.00 0.00 63.50 60.85 3k4w n PRO 11 Cb 0.53 -2.99 -0.14 0.00 -0.04 0.00 0.00 33.50 30.86 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 2.23 0.37 0.00 0.55 0.00 -1.26 -4.23 121.76 119.42 3k4w s ALA 12 Ca 0.58 -0.19 0.00 0.00 0.00 0.00 0.00 51.96 52.34 3k4w s ALA 12 Cb 0.16 -0.09 0.00 0.00 0.00 0.00 0.00 23.12 23.19 3k4w s ALA 12 CO -0.07 0.09 0.00 -1.33 0.00 0.00 0.00 175.76 174.45 3k4w n MET 13 N 2.96 0.00 -0.14 0.00 2.81 -1.26 -1.71 117.12 119.78 3k4w n MET 13 Ca -0.13 0.00 0.03 0.00 -1.81 0.00 0.00 57.70 55.79 3k4w n MET 13 Cb 0.58 0.00 0.32 0.00 -0.71 0.00 0.00 33.22 33.41 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 0.89 1.54 3.03 0.00 -1.96 -2.94 103.07 103.63 3k4w h GLY 14 Ca 0.00 -0.32 0.06 0.00 0.00 0.00 0.00 47.33 47.07 3k4w h GLY 14 CO 0.00 0.30 0.17 0.74 0.00 0.00 0.00 176.54 177.76 3k4w h PHE 15 N 0.83 0.00 0.00 5.60 0.04 -1.60 -2.47 116.94 119.35 3k4w h PHE 15 Ca 0.24 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.01 3k4w h PHE 15 Cb -0.04 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.11 3k4w h PHE 15 CO -0.00 0.00 0.00 -0.07 -0.60 0.00 0.00 178.31 177.64 3k4w h LEU 16 N 0.00 0.00 -0.10 1.54 3.38 -1.69 -2.22 115.31 116.23 3k4w h LEU 16 Ca 0.10 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.07 3k4w h LEU 16 Cb 0.44 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.19 3k4w h LEU 16 CO -0.00 0.00 0.00 0.59 0.09 0.00 0.00 178.44 179.12 3k4w n ASN 17 N -2.65 0.32 -4.78 -0.43 3.02 -0.93 -4.22 115.26 105.58 3k4w n ASN 17 Ca 0.00 0.54 -0.36 0.00 -0.03 0.00 0.00 54.58 54.74 3k4w n ASN 17 Cb 0.21 -0.63 -0.05 0.00 -0.61 0.00 0.00 39.78 38.71 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 -3.07 3.11 0.55 5.41 0.00 -0.84 -3.39 121.76 123.53 3k4w s ALA 18 Ca 0.10 0.66 0.27 0.00 0.00 0.00 0.00 51.96 52.99 3k4w s ALA 18 Cb 0.14 -3.25 1.46 0.00 0.00 0.00 0.00 23.12 21.47 3k4w s ALA 18 CO 0.48 -0.13 1.98 0.00 0.00 0.00 0.00 175.76 178.08 3k4w h ARG 19 N 2.58 0.00 0.00 0.00 3.08 -1.89 0.25 114.38 118.40 3k4w h ARG 19 Ca -0.48 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.57 3k4w h ARG 19 Cb 1.21 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.26 3k4w h ARG 19 CO 0.63 0.00 0.00 0.44 -1.07 0.00 0.00 179.97 179.97 3k4w n ILE 20 N -4.14 1.14 -0.02 2.04 -5.35 -1.26 -0.60 119.36 111.17 3k4w n ILE 20 Ca 0.09 0.39 -0.02 0.00 -0.27 0.00 0.00 62.75 62.95 3k4w n ILE 20 Cb 0.63 -1.30 -0.02 0.00 -1.74 0.00 0.00 39.64 37.20 3k4w n ILE 20 CO 0.00 0.00 0.00 -1.22 -1.76 0.00 0.00 176.55 173.57 3k4w n TYR 21 N -1.91 0.00 0.16 4.28 4.01 0.74 -4.61 117.16 119.84 3k4w n TYR 21 Ca 0.01 0.00 0.05 0.00 -0.16 0.00 0.00 57.90 57.80 3k4w n TYR 21 Cb 0.13 -0.16 0.09 0.00 -0.31 0.00 0.00 39.34 39.09 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 0.69 -2.26 -0.72 1.35 -1.14 -3.34 112.91 107.49 3k4w h THR 22 Ca -0.09 -1.90 -0.60 0.00 -0.55 0.00 0.00 66.41 63.27 3k4w h THR 22 Cb 1.18 2.28 -0.42 0.00 -1.73 0.00 0.00 68.15 69.47 3k4w h THR 22 CO -0.00 0.38 -0.60 0.54 -0.25 0.00 0.00 175.52 175.59 3k4w n ARG 23 N -3.22 3.04 0.18 4.72 5.12 0.23 -4.90 116.66 121.84 3k4w n ARG 23 Ca 0.02 -4.80 0.04 0.00 -1.93 0.00 0.00 57.85 51.18 3k4w n ARG 23 Cb 0.67 -2.25 0.45 0.00 -1.16 0.00 0.00 32.46 30.17 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 3.40 0.08 -0.85 5.56 0.13 -1.76 -1.45 132.00 137.10 3k4w h PRO 24 Ca 0.16 -0.02 0.22 0.00 -0.87 0.00 0.00 66.00 65.49 3k4w h PRO 24 Cb 0.55 -0.01 -0.14 0.00 0.13 0.00 0.00 31.00 31.53 3k4w h PRO 24 CO 0.83 0.26 0.16 0.38 -0.23 0.00 0.00 178.00 179.41 3k4w h ASP 25 N 0.08 -0.12 -0.17 1.44 2.03 -1.94 0.51 116.42 118.25 3k4w h ASP 25 Ca 0.01 0.20 -0.15 0.00 -0.73 0.00 0.00 57.03 56.36 3k4w h ASP 25 Cb 0.36 0.30 0.00 0.00 -0.83 0.00 0.00 39.33 39.17 3k4w h ASP 25 CO 0.02 -0.17 -0.49 0.40 -1.03 0.00 0.00 179.24 177.97 3k4w h ILE 26 N 0.17 1.33 -0.44 4.15 2.04 -1.66 -2.87 117.51 120.23 3k4w h ILE 26 Ca 0.51 -1.75 -0.14 0.00 1.00 0.00 0.00 64.86 64.48 3k4w h ILE 26 Cb 1.00 1.98 -0.01 0.00 -0.74 0.00 0.00 36.82 39.05 3k4w h ILE 26 CO -0.67 0.54 -0.28 -0.09 0.00 0.00 0.00 178.15 177.65 3k4w h ARG 27 N 0.30 0.95 -0.12 2.37 2.43 -0.98 -2.80 114.38 116.53 3k4w h ARG 27 Ca -0.01 -0.44 -0.08 0.00 -0.81 0.00 0.00 59.98 58.63 3k4w h ARG 27 Cb 1.12 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.64 3k4w h ARG 27 CO 0.11 1.11 -0.28 -0.91 -1.51 0.00 0.00 179.97 178.48 3k4w h ASN 28 N 0.80 0.21 -0.75 -3.80 2.35 -0.04 -1.03 115.58 113.33 3k4w h ASN 28 Ca 0.09 -0.07 -0.06 0.00 -0.55 0.00 0.00 56.30 55.72 3k4w h ASN 28 Cb 0.86 -0.06 -0.03 0.00 0.05 0.00 0.00 38.32 39.14 3k4w h ASN 28 CO 0.08 0.50 0.25 0.03 -1.65 0.00 0.00 177.43 176.64 3k4w h ARG 29 N 0.19 1.16 0.57 0.81 3.08 -1.39 -1.59 114.38 117.21 3k4w h ARG 29 Ca 0.03 -0.24 -0.03 0.00 0.07 0.00 0.00 59.98 59.81 3k4w h ARG 29 Cb 0.61 -0.17 0.01 0.00 0.08 0.00 0.00 29.97 30.49 3k4w h ARG 29 CO 0.04 0.98 -0.27 0.35 -1.07 0.00 0.00 179.97 180.00 3k4w h PHE 30 N 1.11 -0.71 -0.35 3.04 3.04 -1.13 -0.57 116.94 121.38 3k4w h PHE 30 Ca 0.24 -0.02 0.08 0.00 3.98 0.00 0.00 57.97 62.25 3k4w h PHE 30 Cb 0.29 0.23 -0.08 0.00 2.56 0.00 0.00 35.95 38.96 3k4w h PHE 30 CO 0.02 -0.39 -0.17 1.15 -2.02 0.00 0.00 178.31 176.90 3k4w h THR 31 N -0.90 0.48 -0.25 4.41 2.02 -1.23 -0.77 112.91 116.67 3k4w h THR 31 Ca -0.08 0.00 -0.08 0.00 0.77 0.00 0.00 66.41 67.02 3k4w h THR 31 Cb 0.63 0.48 -0.01 0.00 -1.74 0.00 0.00 68.15 67.51 3k4w h THR 31 CO 0.13 0.00 -0.19 0.03 0.37 0.00 0.00 175.52 175.86 3k4w h ARG 32 N -0.12 0.45 -0.79 6.66 3.08 -1.20 -2.31 114.38 120.15 3k4w h ARG 32 Ca 0.18 -0.15 -0.04 0.00 0.07 0.00 0.00 59.98 60.04 3k4w h ARG 32 Cb 0.39 -0.04 -0.04 0.00 0.08 0.00 0.00 29.97 30.36 3k4w h ARG 32 CO -0.42 0.63 0.33 0.37 -1.07 0.00 0.00 179.97 179.81 3k4w h GLN 33 N 0.41 1.17 -0.40 0.04 4.15 -0.53 -2.66 115.11 117.30 3k4w h GLN 33 Ca 0.07 -0.20 -0.00 0.00 0.77 0.00 0.00 58.65 59.28 3k4w h GLN 33 Cb 0.57 -0.20 -0.02 0.00 0.21 0.00 0.00 27.48 28.04 3k4w h GLN 33 CO 0.04 0.94 0.23 -0.07 -1.93 0.00 0.00 178.83 178.04 3k4w h LEU 34 N 1.14 0.48 0.00 -2.39 3.38 -0.64 -3.46 115.31 113.82 3k4w h LEU 34 Ca 0.27 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.21 3k4w h LEU 34 Cb 0.19 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.82 3k4w h LEU 34 CO -0.02 0.38 0.00 0.61 0.09 0.00 0.00 178.44 179.49 3k4w n GLY 35 N -1.38 0.31 3.49 0.83 0.00 -0.94 -4.94 105.19 102.57 3k4w n GLY 35 Ca 0.03 0.00 -0.30 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 -1.08 2.56 0.23 1.61 0.08 -0.92 -5.01 117.98 115.45 3k4w s PHE 36 Ca 0.00 -0.25 -0.30 0.00 0.12 0.00 0.00 56.93 56.51 3k4w s PHE 36 Cb 0.00 -1.38 -0.09 0.00 -0.57 0.00 0.00 43.02 40.98 3k4w s PHE 36 CO 0.00 0.37 1.15 -1.21 -0.10 0.00 0.00 175.22 175.42 3k4w s GLU 37 N -2.01 4.56 0.55 0.44 0.41 -1.26 -3.05 118.70 118.33 3k4w s GLU 37 Ca 0.18 1.84 -0.20 0.00 -0.41 0.00 0.00 54.97 56.37 3k4w s GLU 37 Cb -0.11 -3.22 -0.06 0.00 -1.78 0.00 0.00 34.13 28.96 3k4w s GLU 37 CO 0.10 0.05 1.04 -2.30 -0.49 0.00 0.00 175.26 173.66 3k4w n PRO 38 N 1.89 1.15 -2.20 0.39 -0.02 -1.26 -4.50 135.00 130.46 3k4w n PRO 38 Ca 0.02 0.43 -0.42 0.00 -2.02 0.00 0.00 63.50 61.51 3k4w n PRO 38 Cb 0.45 -2.21 -0.03 0.00 -0.02 0.00 0.00 33.50 31.69 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 -1.42 3.56 0.26 3.55 0.00 -1.26 -4.93 121.76 121.52 3k4w s ALA 39 Ca 0.72 1.11 -0.02 0.00 0.00 0.00 0.00 51.96 53.77 3k4w s ALA 39 Cb -0.45 -3.51 0.46 0.00 0.00 0.00 0.00 23.12 19.63 3k4w s ALA 39 CO 0.50 -0.58 1.83 -1.35 0.00 0.00 0.00 175.76 176.17 3k4w h PRO 40 N 6.16 0.92 -0.18 0.00 0.11 -1.99 -0.87 132.00 136.14 3k4w h PRO 40 Ca -0.43 -0.06 -0.02 0.00 0.11 0.00 0.00 66.00 65.61 3k4w h PRO 40 Cb 1.21 -0.21 -0.01 0.00 0.11 0.00 0.00 31.00 32.10 3k4w h PRO 40 CO 0.82 0.61 0.04 0.66 -0.21 0.00 0.00 178.00 179.92 3k4w h SER 41 N 0.95 0.23 0.22 -2.05 4.64 -1.87 -0.55 113.55 115.11 3k4w h SER 41 Ca 0.45 -0.02 -0.01 0.00 -0.47 0.00 0.00 61.79 61.74 3k4w h SER 41 Cb 0.38 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 62.42 3k4w h SER 41 CO -0.24 0.24 -0.10 0.00 -0.87 0.00 0.00 176.83 175.86 3k4w h ALA 42 N 1.79 -0.29 -0.88 5.18 0.00 -1.52 -1.41 119.26 122.14 3k4w h ALA 42 Ca 0.06 -0.16 0.02 0.00 0.00 0.00 0.00 54.91 54.84 3k4w h ALA 42 Cb 0.11 0.11 -0.05 0.00 0.00 0.00 0.00 17.79 17.97 3k4w h ALA 42 CO -0.00 -0.53 0.58 0.93 0.00 0.00 0.00 179.25 180.22 3k4w h GLU 43 N -0.55 1.12 -0.01 0.00 4.39 -0.82 -1.97 114.58 116.75 3k4w h GLU 43 Ca -0.03 -0.07 0.00 0.00 0.34 0.00 0.00 59.36 59.60 3k4w h GLU 43 Cb 0.41 -0.25 0.00 0.00 -0.10 0.00 0.00 28.75 28.80 3k4w h GLU 43 CO 0.05 0.74 -0.24 0.39 -1.16 0.00 0.00 179.01 178.79 3k4w n GLU 44 N -4.42 0.72 -4.03 2.33 -0.58 -0.26 -4.93 120.64 109.47 3k4w n GLU 44 Ca 0.11 -0.38 -0.32 0.00 -0.42 0.00 0.00 57.16 56.14 3k4w n GLU 44 Cb 0.05 -1.49 -0.02 0.00 -0.57 0.00 0.00 31.44 29.41 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 -0.81 -1.66 -4.05 3.49 5.02 -0.74 -4.94 118.16 114.47 3k4w n LYS 45 Ca 0.12 0.26 -0.33 0.00 -2.02 0.00 0.00 58.31 56.33 3k4w n LYS 45 Cb 0.33 -3.78 -0.15 0.00 -0.02 0.00 0.00 35.03 31.41 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 3.88 0.15 4.39 0.15 -0.61 -4.96 113.70 112.65 3k4w s SER 46 Ca 0.18 -0.91 -0.13 0.00 0.70 0.00 0.00 55.95 55.79 3k4w s SER 46 Cb -0.09 -1.56 0.03 0.00 -1.71 0.00 0.00 66.02 62.69 3k4w s SER 46 CO 0.93 -0.09 1.66 0.25 1.20 0.00 0.00 173.24 177.20 3k4w h LEU 47 N 7.92 0.75 -0.54 3.45 5.85 -1.86 -1.78 115.31 129.11 3k4w h LEU 47 Ca -0.35 -0.22 0.05 0.00 0.84 0.00 0.00 57.88 58.20 3k4w h LEU 47 Cb 1.10 -0.20 -0.05 0.00 0.37 0.00 0.00 40.66 41.89 3k4w h LEU 47 CO 0.57 0.78 0.26 -0.33 -0.34 0.00 0.00 178.44 179.38 3k4w h GLU 48 N 0.69 0.49 -0.20 1.25 4.39 -1.95 -0.26 114.58 118.99 3k4w h GLU 48 Ca 0.16 -0.03 -0.06 0.00 0.34 0.00 0.00 59.36 59.77 3k4w h GLU 48 Cb 0.31 -0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 28.83 3k4w h GLU 48 CO -0.00 0.32 -0.15 1.25 -1.16 0.00 0.00 179.01 179.28 3k4w h LEU 49 N 0.51 0.31 -0.19 1.33 6.46 -1.93 -2.61 115.31 119.19 3k4w h LEU 49 Ca 0.24 -0.07 -0.02 0.00 -0.12 0.00 0.00 57.88 57.90 3k4w h LEU 49 Cb 0.17 -0.08 -0.01 0.00 -0.73 0.00 0.00 40.66 40.01 3k4w h LEU 49 CO -0.18 0.49 0.02 -0.03 -0.62 0.00 0.00 178.44 178.12 3k4w h MET 50 N 0.31 0.31 -0.96 1.25 4.05 -0.33 -1.29 114.93 118.27 3k4w h MET 50 Ca 0.06 -0.09 0.12 0.00 -0.28 0.00 0.00 59.70 59.51 3k4w h MET 50 Cb 0.45 -0.03 -0.08 0.00 -0.80 0.00 0.00 31.60 31.13 3k4w h MET 50 CO 0.03 0.49 0.59 0.74 0.23 0.00 0.00 176.91 178.98 3k4w h PHE 51 N 0.10 1.06 -0.43 1.39 0.04 -0.93 0.41 116.94 118.57 3k4w h PHE 51 Ca 0.06 0.03 -0.03 0.00 2.80 0.00 0.00 57.97 60.83 3k4w h PHE 51 Cb 0.33 -0.33 -0.02 0.00 2.20 0.00 0.00 35.95 38.13 3k4w h PHE 51 CO 0.02 0.41 0.15 0.93 -0.60 0.00 0.00 178.31 179.22 3k4w h GLU 52 N 0.92 0.65 0.00 1.51 5.08 -1.22 0.11 114.58 121.63 3k4w h GLU 52 Ca 0.48 -0.13 -0.00 0.00 -1.00 0.00 0.00 59.36 58.71 3k4w h GLU 52 Cb 0.48 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.63 3k4w h GLU 52 CO -0.27 0.62 -0.00 0.93 -1.00 0.00 0.00 179.01 179.29 3k4w h GLU 53 N 0.55 -0.00 -0.64 2.33 5.08 -0.84 -0.71 114.58 120.35 3k4w h GLU 53 Ca 0.14 0.00 0.13 0.00 -1.00 0.00 0.00 59.36 58.63 3k4w h GLU 53 Cb 0.23 0.00 -0.10 0.00 0.50 0.00 0.00 28.75 29.38 3k4w h GLU 53 CO -0.01 0.13 0.12 0.52 -1.00 0.00 0.00 179.01 178.77 3k4w h MET 54 N -0.13 0.23 -0.34 2.33 2.86 -0.71 0.13 114.93 119.30 3k4w h MET 54 Ca -0.00 -0.01 -0.15 0.00 -2.06 0.00 0.00 59.70 57.48 3k4w h MET 54 Cb 0.13 -0.05 -0.00 0.00 0.06 0.00 0.00 31.60 31.74 3k4w h MET 54 CO 0.00 0.15 -0.37 0.00 1.06 0.00 0.00 176.91 177.75 3k4w h ALA 55 N 1.53 0.50 0.00 6.32 0.00 -0.66 0.56 119.26 127.52 3k4w h ALA 55 Ca 0.34 -0.44 -0.03 0.00 0.00 0.00 0.00 54.91 54.78 3k4w h ALA 55 Cb 0.54 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.22 3k4w h ALA 55 CO -0.46 0.59 -0.16 0.00 0.00 0.00 0.00 179.25 179.23 3k4w h ALA 56 N 0.74 1.23 0.00 0.00 0.00 -0.71 -2.99 119.26 117.53 3k4w h ALA 56 Ca 0.05 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.82 3k4w h ALA 56 Cb 0.96 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.72 3k4w h ALA 56 CO 0.09 0.20 -0.49 0.00 0.00 0.00 0.00 179.25 179.05 3k4w n ALA 57 N -2.28 2.95 -0.67 0.00 0.00 0.41 -4.94 120.51 115.98 3k4w n ALA 57 Ca -0.01 -0.24 0.00 0.00 0.00 0.00 0.00 53.44 53.19 3k4w n ALA 57 Cb 0.29 -1.21 0.00 0.00 0.00 0.00 0.00 19.45 18.53 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 1.38 0.61 3.51 0.00 0.00 -0.90 -4.92 105.19 104.88 3k4w n GLY 58 Ca 0.04 -0.70 -0.43 0.00 0.00 0.00 0.00 46.02 44.93 3k4w n GLY 58 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3k4w s ILE 59 N -2.00 4.66 0.08 -0.61 1.01 0.14 -3.29 121.20 121.19 3k4w s ILE 59 Ca 0.00 0.12 -0.17 0.00 0.00 0.00 0.00 60.65 60.60 3k4w s ILE 59 Cb 0.00 -4.36 -0.10 0.00 0.01 0.00 0.00 42.46 38.01 3k4w s ILE 59 CO 0.00 -0.83 1.40 -0.33 0.00 0.00 0.00 174.94 175.18 3k4w h GLU 60 N 9.06 0.59 -3.52 2.79 3.07 -1.49 -3.39 114.58 121.69 3k4w h GLU 60 Ca -0.26 -0.31 -0.07 0.00 -0.50 0.00 0.00 59.36 58.22 3k4w h GLU 60 Cb 1.09 0.01 -0.14 0.00 -0.84 0.00 0.00 28.75 28.86 3k4w h GLU 60 CO 0.99 0.90 -0.23 -0.65 -1.40 0.00 0.00 179.01 178.62 3k4w s GLN 61 N -4.37 0.92 -0.01 2.33 -0.21 -1.21 -4.71 119.66 112.40 3k4w s GLN 61 Ca -0.13 -0.75 0.01 0.00 0.02 0.00 0.00 55.36 54.51 3k4w s GLN 61 Cb 0.08 0.39 0.01 0.00 1.00 0.00 0.00 33.01 34.48 3k4w s GLN 61 CO 0.80 -0.32 -0.01 0.20 -2.12 0.00 0.00 175.29 173.84 3k4w s GLY 62 N -2.64 0.13 -0.25 3.09 0.00 0.13 -0.60 107.32 107.18 3k4w s GLY 62 Ca 0.02 -0.01 -0.17 0.00 0.00 0.00 0.00 44.72 44.55 3k4w s GLY 62 CO -0.09 0.10 0.47 0.14 0.00 0.00 0.00 173.10 173.72 3k4w s VAL 63 N 0.23 5.11 -0.27 1.40 1.01 0.41 -0.71 120.40 127.58 3k4w s VAL 63 Ca -0.02 0.80 -0.08 0.00 0.00 0.00 0.00 61.98 62.68 3k4w s VAL 63 Cb -0.04 -3.79 -0.03 0.00 0.00 0.00 0.00 36.38 32.52 3k4w s VAL 63 CO -0.01 0.13 0.10 0.00 0.00 0.00 0.00 175.10 175.32 3k4w s VAL 65 N 1.62 3.05 0.45 0.00 1.01 -1.26 -1.66 120.40 123.62 3k4w s VAL 65 Ca 0.06 -0.63 -0.15 0.00 0.00 0.00 0.00 61.98 61.25 3k4w s VAL 65 Cb -0.16 -2.33 -0.08 0.00 0.00 0.00 0.00 36.38 33.82 3k4w s VAL 65 CO 0.05 0.49 0.90 -0.83 0.00 0.00 0.00 175.10 175.70 3k4w s GLY 66 N 0.91 2.11 0.00 4.51 0.00 -1.26 -4.85 107.32 108.73 3k4w s GLY 66 Ca -0.02 0.10 0.18 0.00 0.00 0.00 0.00 44.72 44.98 3k4w s GLY 66 CO -0.00 0.35 1.40 -2.13 0.00 0.00 0.00 173.10 172.72 3k4w n ARG 67 N -1.25 2.68 0.00 2.90 3.00 -1.25 -4.81 116.66 117.93 3k4w n ARG 67 Ca 0.05 -2.36 0.00 0.00 -0.00 0.00 0.00 57.85 55.54 3k4w n ARG 67 Cb 0.54 -1.45 0.00 0.00 0.00 0.00 0.00 32.46 31.55 3k4w n ARG 67 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.63 175.92 3k4w n ASN 68 N 1.21 0.00 -4.93 6.15 2.85 -1.11 -4.52 115.26 114.90 3k4w n ASN 68 Ca 0.19 0.00 -0.25 0.00 -0.11 0.00 0.00 54.58 54.41 3k4w n ASN 68 Cb 0.54 0.00 -0.01 0.00 1.24 0.00 0.00 39.78 41.55 3k4w n ASN 68 CO 0.00 0.00 0.00 -0.44 -2.11 0.00 0.00 177.26 174.71 3k4w s SER 69 N -4.00 6.29 0.00 1.20 0.01 -1.26 -1.64 113.70 114.30 3k4w s SER 69 Ca 0.00 0.55 0.00 0.00 1.31 0.00 0.00 55.95 57.81 3k4w s SER 69 Cb 0.00 -2.08 0.00 0.00 0.21 0.00 0.00 66.02 64.15 3k4w s SER 69 CO 0.00 -0.34 0.22 -0.24 0.41 0.00 0.00 173.24 173.29 3k4w n SER 70 N -1.84 0.41 -3.78 2.44 2.88 -1.26 -4.86 113.62 107.60 3k4w n SER 70 Ca -0.04 -1.02 -0.12 0.00 -1.33 0.00 0.00 58.87 56.36 3k4w n SER 70 Cb 0.56 0.00 0.04 0.00 -0.75 0.00 0.00 64.21 64.05 3k4w n SER 70 CO 0.00 0.00 0.00 0.55 -1.23 0.00 0.00 175.04 174.36 3k4w n VAL 71 N -0.01 0.00 -1.53 2.46 3.14 -1.26 -4.93 118.33 116.20 3k4w n VAL 71 Ca 0.00 -1.20 -0.56 0.00 -2.96 0.00 0.00 64.34 59.62 3k4w n VAL 71 Cb 0.17 -0.63 -0.07 0.00 -1.06 0.00 0.00 33.84 32.25 3k4w n VAL 71 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 3k4w n LEU 72 N 0.00 0.49 0.00 6.55 -0.00 -1.26 -2.21 117.00 120.57 3k4w n LEU 72 Ca 0.08 1.15 0.00 0.00 -0.00 0.00 0.00 56.01 57.24 3k4w n LEU 72 Cb 0.37 -1.01 0.00 0.00 -0.00 0.00 0.00 43.42 42.78 3k4w n LEU 72 CO 0.23 -1.67 0.00 0.61 -0.00 0.00 0.00 177.39 176.56 3k4w n GLY 73 N 1.84 0.82 3.81 1.47 0.00 -1.22 -4.98 105.19 106.93 3k4w n GLY 73 Ca 0.19 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.88 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 -2.12 6.29 -0.26 1.61 1.04 -0.94 -4.24 113.70 115.07 3k4w s SER 74 Ca 0.00 1.79 0.01 0.00 0.48 0.00 0.00 55.95 58.23 3k4w s SER 74 Cb 0.00 -2.54 0.07 0.00 0.10 0.00 0.00 66.02 63.65 3k4w s SER 74 CO 0.00 -0.82 -0.02 0.54 0.98 0.00 0.00 173.24 173.92 3k4w s VAL 75 N -2.29 1.57 0.89 5.02 0.11 -0.65 -4.44 120.40 120.61 3k4w s VAL 75 Ca 0.64 -1.41 -0.12 0.00 -2.93 0.00 0.00 61.98 58.16 3k4w s VAL 75 Cb -0.14 -1.91 0.13 0.00 -1.53 0.00 0.00 36.38 32.92 3k4w s VAL 75 CO 0.27 -0.24 1.14 -0.94 -3.33 0.00 0.00 175.10 172.00 3k4w s SER 76 N 1.35 3.69 0.09 3.54 1.04 -1.26 -2.75 113.70 119.39 3k4w s SER 76 Ca -0.02 0.96 -0.22 0.00 0.48 0.00 0.00 55.95 57.15 3k4w s SER 76 Cb -0.19 -1.53 -0.13 0.00 0.10 0.00 0.00 66.02 64.26 3k4w s SER 76 CO -0.09 -2.44 1.70 0.78 0.98 0.00 0.00 173.24 174.18 3k4w h ASN 77 N -1.42 0.06 -1.01 7.02 2.35 -1.92 -1.50 115.58 119.17 3k4w h ASN 77 Ca -0.50 -0.05 0.24 0.00 -0.55 0.00 0.00 56.30 55.45 3k4w h ASN 77 Cb 1.33 -0.02 -0.09 0.00 0.05 0.00 0.00 38.32 39.59 3k4w h ASN 77 CO 0.62 0.09 0.65 0.00 -1.65 0.00 0.00 177.43 177.14 3k4w h ALA 78 N 0.97 2.14 -0.21 -0.83 0.00 -1.95 0.46 119.26 119.84 3k4w h ALA 78 Ca 0.02 0.06 -0.18 0.00 0.00 0.00 0.00 54.91 54.81 3k4w h ALA 78 Cb 0.04 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 3k4w h ALA 78 CO -0.00 -0.52 -0.58 -0.44 0.00 0.00 0.00 179.25 177.71 3k4w h ASP 79 N 0.45 0.75 -0.21 0.00 3.32 -1.74 -1.51 116.42 117.48 3k4w h ASP 79 Ca 0.57 -0.42 -0.13 0.00 0.02 0.00 0.00 57.03 57.08 3k4w h ASP 79 Cb 1.35 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 40.67 3k4w h ASP 79 CO -0.29 1.17 -0.30 0.58 -1.72 0.00 0.00 179.24 178.68 3k4w h VAL 80 N 0.51 1.28 -0.03 -1.35 2.07 -0.57 -2.50 116.25 115.65 3k4w h VAL 80 Ca 0.00 -1.43 -0.14 0.00 0.82 0.00 0.00 66.70 65.95 3k4w h VAL 80 Cb 1.16 1.35 -0.02 0.00 -1.52 0.00 0.00 31.29 32.26 3k4w h VAL 80 CO 0.12 0.47 -0.63 0.00 0.02 0.00 0.00 177.57 177.54 3k4w h ALA 81 N 1.05 0.89 -0.38 1.67 0.00 -0.74 -2.76 119.26 119.00 3k4w h ALA 81 Ca 0.07 -0.57 -0.11 0.00 0.00 0.00 0.00 54.91 54.30 3k4w h ALA 81 Cb 0.81 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 3k4w h ALA 81 CO 0.07 0.76 -0.23 0.00 0.00 0.00 0.00 179.25 179.85 3k4w h ALA 82 N 1.27 0.89 -0.08 0.00 0.00 -1.14 -1.29 119.26 118.91 3k4w h ALA 82 Ca -0.01 -0.37 -0.02 0.00 0.00 0.00 0.00 54.91 54.51 3k4w h ALA 82 Cb 1.13 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.77 3k4w h ALA 82 CO 0.09 0.63 -0.01 0.28 0.00 0.00 0.00 179.25 180.23 3k4w h VAL 83 N 0.66 1.28 -0.44 0.00 2.07 -1.34 0.39 116.25 118.86 3k4w h VAL 83 Ca 0.09 -0.89 -0.00 0.00 0.82 0.00 0.00 66.70 66.71 3k4w h VAL 83 Cb 0.74 1.72 -0.02 0.00 -1.52 0.00 0.00 31.29 32.20 3k4w h VAL 83 CO 0.06 0.25 0.26 0.00 0.02 0.00 0.00 177.57 178.15 3k4w h ALA 84 N 0.69 0.56 -0.37 1.67 0.00 -1.51 -0.92 119.26 119.39 3k4w h ALA 84 Ca 0.02 -0.07 -0.09 0.00 0.00 0.00 0.00 54.91 54.77 3k4w h ALA 84 Cb 0.40 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 3k4w h ALA 84 CO 0.01 0.07 -0.14 1.57 0.00 0.00 0.00 179.25 180.76 3k4w h LYS 85 N 0.58 0.66 -0.18 0.00 5.09 -1.18 0.47 116.57 122.00 3k4w h LYS 85 Ca 0.16 -0.21 -0.06 0.00 0.09 0.00 0.00 60.65 60.63 3k4w h LYS 85 Cb 0.02 -0.06 -0.01 0.00 0.10 0.00 0.00 32.23 32.28 3k4w h LYS 85 CO -0.03 0.77 -0.14 0.00 -2.09 0.00 0.00 179.45 177.96 3k4w h ALA 86 N 1.26 1.44 -2.07 0.07 0.00 -0.60 -3.36 119.26 115.99 3k4w h ALA 86 Ca 0.10 -0.23 -0.54 0.00 0.00 0.00 0.00 54.91 54.25 3k4w h ALA 86 Cb 0.58 -0.10 -0.40 0.00 0.00 0.00 0.00 17.79 17.87 3k4w h ALA 86 CO 0.04 0.39 -1.01 0.66 0.00 0.00 0.00 179.25 179.33 3k4w n TYR 87 N -4.25 1.00 0.28 0.00 4.01 -0.38 -4.98 117.16 112.85 3k4w n TYR 87 Ca -0.00 -3.80 0.11 0.00 -0.16 0.00 0.00 57.90 54.05 3k4w n TYR 87 Cb 0.29 -0.42 0.78 0.00 -0.31 0.00 0.00 39.34 39.67 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 3.48 0.00 0.00 -0.72 0.13 -1.09 0.66 132.00 134.46 3k4w h PRO 88 Ca 0.11 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 3k4w h PRO 88 Cb 0.83 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.96 3k4w h PRO 88 CO 0.58 0.00 -0.10 -0.40 -0.23 0.00 0.00 178.00 177.85 3k4w n ASP 89 N -4.20 0.81 -0.04 1.44 5.75 -1.26 -4.41 116.55 114.63 3k4w n ASP 89 Ca -0.03 0.50 -0.03 0.00 -0.01 0.00 0.00 54.79 55.22 3k4w n ASP 89 Cb 0.09 -0.65 -0.07 0.00 -1.03 0.00 0.00 41.12 39.46 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 -2.25 2.42 -4.54 0.11 4.76 0.17 -4.77 118.16 114.05 3k4w n LYS 90 Ca 0.05 -0.01 -0.23 0.00 -2.87 0.00 0.00 58.31 55.25 3k4w n LYS 90 Cb 0.43 -1.21 -0.16 0.00 -1.84 0.00 0.00 35.03 32.25 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 -2.24 1.32 -0.27 2.13 0.08 -0.85 -0.69 117.98 117.46 3k4w s PHE 91 Ca -0.04 -0.44 -0.09 0.00 0.12 0.00 0.00 56.93 56.48 3k4w s PHE 91 Cb 0.03 -0.96 -0.03 0.00 -0.57 0.00 0.00 43.02 41.48 3k4w s PHE 91 CO 0.34 -0.22 0.13 -1.01 -0.10 0.00 0.00 175.22 174.37 3k4w s HIS 92 N 0.51 3.15 0.30 0.36 3.76 0.12 -4.75 115.29 118.73 3k4w s HIS 92 Ca -0.11 -0.23 -0.27 0.00 -0.15 0.00 0.00 55.06 54.31 3k4w s HIS 92 Cb -0.14 -2.31 -0.10 0.00 1.11 0.00 0.00 32.58 31.15 3k4w s HIS 92 CO 0.03 -0.29 0.94 -1.25 -0.85 0.00 0.00 174.74 173.31 3k4w s PRO 93 N 1.67 4.64 -0.06 8.40 0.04 -1.26 -1.30 135.00 147.13 3k4w s PRO 93 Ca 0.06 1.35 0.05 0.00 0.04 0.00 0.00 61.00 62.50 3k4w s PRO 93 Cb -0.16 -2.92 -0.00 0.00 0.04 0.00 0.00 34.50 31.46 3k4w s PRO 93 CO 0.07 0.34 -0.21 0.08 0.04 0.00 0.00 177.00 177.32 3k4w s VAL 94 N -1.51 1.75 -0.20 -0.36 1.01 -0.66 -4.50 120.40 115.93 3k4w s VAL 94 Ca 0.48 -0.88 -0.09 0.00 0.00 0.00 0.00 61.98 61.49 3k4w s VAL 94 Cb -0.20 -1.50 -0.04 0.00 0.00 0.00 0.00 36.38 34.63 3k4w s VAL 94 CO 0.26 0.49 0.10 -0.83 0.00 0.00 0.00 175.10 175.11 3k4w s GLY 95 N 0.10 1.94 0.00 4.51 0.00 -0.55 -4.26 107.32 109.07 3k4w s GLY 95 Ca -0.08 -0.79 0.01 0.00 0.00 0.00 0.00 44.72 43.85 3k4w s GLY 95 CO 0.04 0.18 0.04 -1.35 0.00 0.00 0.00 173.10 172.01 3k4w s SER 96 N 0.61 5.38 -0.15 1.64 1.04 -1.26 -0.52 113.70 120.44 3k4w s SER 96 Ca 0.05 0.06 -0.05 0.00 0.48 0.00 0.00 55.95 56.49 3k4w s SER 96 Cb -0.13 -1.47 -0.04 0.00 0.10 0.00 0.00 66.02 64.49 3k4w s SER 96 CO 0.01 0.27 0.03 -0.63 0.98 0.00 0.00 173.24 173.90 3k4w s ILE 97 N -1.15 4.54 -0.24 -1.02 1.01 -0.75 -4.88 121.20 118.70 3k4w s ILE 97 Ca 0.21 -0.14 -0.03 0.00 0.00 0.00 0.00 60.65 60.70 3k4w s ILE 97 Cb -0.12 -2.99 0.11 0.00 0.01 0.00 0.00 42.46 39.47 3k4w s ILE 97 CO 0.12 0.52 0.24 -0.70 0.00 0.00 0.00 174.94 175.12 3k4w s GLU 98 N -0.05 0.24 -0.05 2.79 2.12 -1.26 -4.59 118.70 117.90 3k4w s GLU 98 Ca 0.05 0.02 -0.10 0.00 0.36 0.00 0.00 54.97 55.30 3k4w s GLU 98 Cb -0.12 -1.00 0.02 0.00 0.26 0.00 0.00 34.13 33.28 3k4w s GLU 98 CO 0.01 -0.82 0.25 0.00 -0.54 0.00 0.00 175.26 174.16 3k4w s ALA 99 N 2.32 -0.61 -0.05 6.30 0.00 -1.26 -4.89 121.76 123.57 3k4w s ALA 99 Ca 0.08 0.40 -0.18 0.00 0.00 0.00 0.00 51.96 52.26 3k4w s ALA 99 Cb -0.15 -0.15 -0.12 0.00 0.00 0.00 0.00 23.12 22.70 3k4w s ALA 99 CO -0.22 -0.18 0.75 0.00 0.00 0.00 0.00 175.76 176.11 3k4w h ALA 100 N 4.83 -0.34 -2.65 0.00 0.00 -1.99 -3.47 119.26 115.64 3k4w h ALA 100 Ca -0.28 -0.18 -0.58 0.00 0.00 0.00 0.00 54.91 53.88 3k4w h ALA 100 Cb 1.19 0.13 -0.09 0.00 0.00 0.00 0.00 17.79 19.02 3k4w h ALA 100 CO 0.37 -0.37 -0.61 0.95 0.00 0.00 0.00 179.25 179.59 3k4w s THR 101 N -3.32 4.01 0.32 0.00 -4.23 -1.26 -5.04 115.64 106.12 3k4w s THR 101 Ca -0.10 -1.38 0.01 0.00 -1.18 0.00 0.00 61.69 59.04 3k4w s THR 101 Cb 0.01 -3.06 0.27 0.00 1.34 0.00 0.00 72.50 71.06 3k4w s THR 101 CO 0.37 -0.17 1.97 -0.09 -0.54 0.00 0.00 174.62 176.15 3k4w h ARG 102 N 2.36 0.94 -0.18 3.99 2.43 -1.91 -1.46 114.38 120.55 3k4w h ARG 102 Ca -0.47 -0.06 -0.11 0.00 -0.81 0.00 0.00 59.98 58.53 3k4w h ARG 102 Cb 1.21 -0.21 -0.01 0.00 -0.42 0.00 0.00 29.97 30.54 3k4w h ARG 102 CO 0.60 0.62 -0.37 0.87 -1.51 0.00 0.00 179.97 180.18 3k4w h LYS 103 N 0.97 0.40 -0.58 0.20 1.57 -1.99 -1.50 116.57 115.63 3k4w h LYS 103 Ca 0.30 -0.18 -0.06 0.00 -1.87 0.00 0.00 60.65 58.84 3k4w h LYS 103 Cb 0.01 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.29 3k4w h LYS 103 CO -0.08 0.72 0.12 0.93 -0.57 0.00 0.00 179.45 180.56 3k4w h GLU 104 N 0.34 0.94 -0.36 3.15 5.08 -1.79 -2.29 114.58 119.64 3k4w h GLU 104 Ca 0.04 -0.24 -0.03 0.00 -1.00 0.00 0.00 59.36 58.13 3k4w h GLU 104 Cb 0.81 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.92 3k4w h GLU 104 CO 0.06 0.88 0.09 0.00 -1.00 0.00 0.00 179.01 179.05 3k4w h ALA 105 N 1.02 1.49 0.00 3.43 0.00 -0.89 -1.38 119.26 122.94 3k4w h ALA 105 Ca 0.18 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 3k4w h ALA 105 Cb 0.38 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 3k4w h ALA 105 CO 0.01 0.38 -0.91 0.52 0.00 0.00 0.00 179.25 179.24 3k4w h MET 106 N 0.52 0.00 -0.19 0.00 2.86 -1.14 -0.43 114.93 116.55 3k4w h MET 106 Ca 0.12 0.00 -0.20 0.00 -2.06 0.00 0.00 59.70 57.57 3k4w h MET 106 Cb 0.19 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.85 3k4w h MET 106 CO -0.00 0.07 -0.67 0.00 1.06 0.00 0.00 176.91 177.36 3k4w h ALA 107 N 1.89 0.47 -0.34 6.32 0.00 -1.22 -2.21 119.26 124.16 3k4w h ALA 107 Ca -0.03 -0.56 -0.02 0.00 0.00 0.00 0.00 54.91 54.30 3k4w h ALA 107 Cb 1.11 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.83 3k4w h ALA 107 CO 0.01 0.70 0.15 1.96 0.00 0.00 0.00 179.25 182.06 3k4w h GLN 108 N 0.52 0.50 -0.70 0.00 4.20 -1.19 -2.66 115.11 115.77 3k4w h GLN 108 Ca -0.02 -0.08 0.03 0.00 0.06 0.00 0.00 58.65 58.64 3k4w h GLN 108 Cb 1.27 -0.08 -0.05 0.00 0.30 0.00 0.00 27.48 28.92 3k4w h GLN 108 CO 0.13 0.48 0.43 1.98 -0.67 0.00 0.00 178.83 181.19 3k4w h MET 109 N 0.41 0.82 -0.41 1.46 4.05 -1.07 -1.11 114.93 119.08 3k4w h MET 109 Ca 0.11 -0.05 -0.07 0.00 -0.28 0.00 0.00 59.70 59.41 3k4w h MET 109 Cb 0.16 -0.18 -0.02 0.00 -0.80 0.00 0.00 31.60 30.76 3k4w h MET 109 CO -0.01 0.54 -0.05 0.37 0.23 0.00 0.00 176.91 177.99 3k4w h GLN 110 N 0.84 0.68 -0.20 0.39 5.75 -1.35 -0.79 115.11 120.44 3k4w h GLN 110 Ca 0.29 -0.19 -0.03 0.00 -0.15 0.00 0.00 58.65 58.56 3k4w h GLN 110 Cb 0.04 -0.08 -0.01 0.00 1.07 0.00 0.00 27.48 28.51 3k4w h GLN 110 CO -0.12 0.74 0.01 1.49 -2.65 0.00 0.00 178.83 178.30 3k4w h GLU 111 N 0.64 0.35 -0.35 1.69 4.81 -1.38 -0.80 114.58 119.54 3k4w h GLU 111 Ca 0.12 -0.11 0.07 0.00 -0.13 0.00 0.00 59.36 59.31 3k4w h GLU 111 Cb 0.48 -0.03 -0.07 0.00 0.63 0.00 0.00 28.75 29.76 3k4w h GLU 111 CO 0.02 0.53 -0.09 0.82 -0.73 0.00 0.00 179.01 179.57 3k4w h ILE 112 N 0.11 0.65 -0.61 2.32 2.04 -0.58 -0.98 117.51 120.46 3k4w h ILE 112 Ca 0.06 0.00 -0.06 0.00 1.00 0.00 0.00 64.86 65.86 3k4w h ILE 112 Cb 0.37 0.65 -0.03 0.00 -0.74 0.00 0.00 36.82 37.08 3k4w h ILE 112 CO 0.01 0.00 0.14 -0.07 0.00 0.00 0.00 178.15 178.23 3k4w h LEU 113 N -0.00 0.91 -1.57 1.44 3.38 -1.16 -1.88 115.31 116.43 3k4w h LEU 113 Ca 0.17 -0.18 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 3k4w h LEU 113 Cb 0.26 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.75 3k4w h LEU 113 CO -0.36 0.89 0.19 0.44 0.09 0.00 0.00 178.44 179.69 3k4w h ASP 114 N 0.92 0.43 0.06 -0.43 3.32 -0.84 -2.24 116.42 117.63 3k4w h ASP 114 Ca 0.20 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.22 3k4w h ASP 114 Cb 0.34 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 39.78 3k4w h ASP 114 CO 0.00 0.35 -0.00 0.18 -1.72 0.00 0.00 179.24 178.05 3k4w n LEU 115 N -4.44 0.03 0.00 1.55 4.77 -0.40 -4.87 117.00 113.64 3k4w n LEU 115 Ca 0.02 0.02 0.00 0.00 -0.03 0.00 0.00 56.01 56.02 3k4w n LEU 115 Cb 0.10 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.16 3k4w n LEU 115 CO 0.36 0.01 0.00 0.61 -1.33 0.00 0.00 177.39 177.03 3k4w n GLY 116 N 1.03 0.67 3.77 -0.72 0.00 -0.84 -4.99 105.19 104.11 3k4w n GLY 116 Ca 0.23 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.20 4.32 -0.06 -0.61 1.01 -0.75 -4.98 121.20 117.93 3k4w s ILE 117 Ca 0.00 1.80 0.09 0.00 0.00 0.00 0.00 60.65 62.54 3k4w s ILE 117 Cb 0.00 -4.19 0.14 0.00 0.01 0.00 0.00 42.46 38.42 3k4w s ILE 117 CO 0.00 0.51 1.04 0.54 0.00 0.00 0.00 174.94 177.03 3k4w n ARG 118 N 1.66 1.82 -3.83 2.79 5.12 -1.26 -4.19 116.66 118.77 3k4w n ARG 118 Ca -0.04 -1.91 -0.13 0.00 -1.93 0.00 0.00 57.85 53.84 3k4w n ARG 118 Cb 0.48 -1.17 -0.14 0.00 -1.16 0.00 0.00 32.46 30.47 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 -1.75 -0.01 0.05 0.55 1.01 -1.26 -4.40 121.20 115.39 3k4w s ILE 119 Ca 0.15 0.05 0.05 0.00 0.00 0.00 0.00 60.65 60.90 3k4w s ILE 119 Cb 0.13 -0.10 -0.04 0.00 0.01 0.00 0.00 42.46 42.47 3k4w s ILE 119 CO 0.01 0.02 -0.07 0.54 0.00 0.00 0.00 174.94 175.45 3k4w s VAL 120 N 0.28 3.61 -0.05 2.92 0.11 -0.97 -1.48 120.40 124.82 3k4w s VAL 120 Ca -0.02 -0.98 0.06 0.00 -2.93 0.00 0.00 61.98 58.11 3k4w s VAL 120 Cb -0.03 -2.64 -0.01 0.00 -1.53 0.00 0.00 36.38 32.17 3k4w s VAL 120 CO -0.01 0.25 -0.22 0.21 -3.33 0.00 0.00 175.10 172.00 3k4w s ASN 121 N -1.84 2.76 -0.08 3.54 2.47 0.32 -0.73 114.94 121.38 3k4w s ASN 121 Ca 0.20 -0.46 0.01 0.00 0.42 0.00 0.00 52.86 53.03 3k4w s ASN 121 Cb -0.11 -0.75 0.02 0.00 -1.45 0.00 0.00 41.25 38.96 3k4w s ASN 121 CO 0.12 0.21 -0.09 -0.76 -3.72 0.00 0.00 177.10 172.86 3k4w s LEU 122 N -0.10 1.42 -0.59 3.21 1.43 0.17 -1.81 118.68 122.41 3k4w s LEU 122 Ca -0.03 -0.28 0.06 0.00 -1.03 0.00 0.00 54.13 52.85 3k4w s LEU 122 Cb -0.13 -0.78 0.28 0.00 0.03 0.00 0.00 46.19 45.59 3k4w s LEU 122 CO 0.03 -0.04 0.79 -0.62 0.23 0.00 0.00 176.35 176.74 3k4w n GLU 123 N 4.28 2.54 0.05 1.70 1.02 -1.26 -1.57 120.64 127.40 3k4w n GLU 123 Ca -0.19 -4.57 0.11 0.00 -0.02 0.00 0.00 57.16 52.49 3k4w n GLU 123 Cb 0.51 -2.15 0.44 0.00 -0.02 0.00 0.00 31.44 30.22 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 0.55 0.09 0.26 3.49 -0.04 -1.26 -1.87 135.00 136.22 3k4w n PRO 124 Ca 0.29 0.23 0.12 0.00 -0.04 0.00 0.00 63.50 64.11 3k4w n PRO 124 Cb 0.42 -1.65 0.73 0.00 -0.04 0.00 0.00 33.50 32.96 3k4w n PRO 124 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 3k4w h GLY 125 N 3.33 0.00 -2.61 0.55 0.00 -1.57 0.27 103.07 103.04 3k4w h GLY 125 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 47.33 47.21 3k4w h GLY 125 CO 0.00 0.00 0.10 3.33 0.00 0.00 0.00 176.54 179.97 3k4w n VAL 126 N -3.79 2.63 -1.72 4.60 0.24 -0.78 -4.16 118.33 115.34 3k4w n VAL 126 Ca -0.02 -1.93 -0.31 0.00 -2.04 0.00 0.00 64.34 60.04 3k4w n VAL 126 Cb 0.21 -0.31 0.03 0.00 -1.47 0.00 0.00 33.84 32.30 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 -2.98 3.37 0.39 6.34 0.51 -1.16 -4.95 118.94 120.47 3k4w s TRP 127 Ca 0.49 1.35 0.11 0.00 -2.12 0.00 0.00 56.10 55.92 3k4w s TRP 127 Cb 0.40 -2.80 0.90 0.00 -0.81 0.00 0.00 33.47 31.15 3k4w s TRP 127 CO 0.09 -0.97 1.93 0.00 -0.51 0.00 0.00 176.95 177.50 3k4w h ALA 128 N -0.52 1.90 -3.46 0.98 0.00 -1.92 -2.95 119.26 113.28 3k4w h ALA 128 Ca -0.44 -0.01 -0.68 0.00 0.00 0.00 0.00 54.91 53.78 3k4w h ALA 128 Cb 1.20 -0.12 -0.34 0.00 0.00 0.00 0.00 17.79 18.53 3k4w h ALA 128 CO 0.59 -0.07 -0.68 0.95 0.00 0.00 0.00 179.25 180.05 3k4w s THR 129 N -5.55 2.95 0.31 0.00 -4.23 -1.26 -5.10 115.64 102.77 3k4w s THR 129 Ca -0.09 -1.60 -0.29 0.00 -1.18 0.00 0.00 61.69 58.52 3k4w s THR 129 Cb 0.20 -2.80 -0.11 0.00 1.34 0.00 0.00 72.50 71.13 3k4w s THR 129 CO 0.77 -0.26 1.54 -2.84 -0.54 0.00 0.00 174.62 173.30 3k4w s PRO 130 N 1.20 4.14 0.28 3.99 0.02 -1.12 -4.98 135.00 138.54 3k4w s PRO 130 Ca -0.01 2.53 0.07 0.00 0.02 0.00 0.00 61.00 63.61 3k4w s PRO 130 Cb -0.20 -3.02 -0.06 0.00 0.02 0.00 0.00 34.50 31.24 3k4w s PRO 130 CO -0.02 -0.57 -0.08 0.00 -0.33 0.00 0.00 177.00 175.99 3k4w s MET 131 N -0.88 1.58 0.63 5.54 0.23 0.07 -4.94 119.30 121.53 3k4w s MET 131 Ca 0.60 -1.79 -0.12 0.00 -1.03 0.00 0.00 55.69 53.35 3k4w s MET 131 Cb -0.47 -1.27 -0.03 0.00 -1.53 0.00 0.00 34.83 31.54 3k4w s MET 131 CO 0.51 0.09 1.04 -1.01 -2.03 0.00 0.00 175.02 173.61 3k4w s HIS 132 N -2.92 3.31 -0.10 3.16 3.76 -1.26 -2.73 115.29 118.51 3k4w s HIS 132 Ca 0.29 1.40 0.30 0.00 -0.15 0.00 0.00 55.06 56.89 3k4w s HIS 132 Cb 0.03 -2.83 0.98 0.00 1.11 0.00 0.00 32.58 31.86 3k4w s HIS 132 CO 0.12 -0.92 1.84 -0.39 -0.85 0.00 0.00 174.74 174.54 3k4w h VAL 133 N -0.22 0.01 -0.51 -0.90 -1.51 -1.91 -1.79 116.25 109.42 3k4w h VAL 133 Ca -0.45 -0.71 0.00 0.00 -1.23 0.00 0.00 66.70 64.32 3k4w h VAL 133 Cb 1.20 1.70 0.00 0.00 -2.13 0.00 0.00 31.29 32.06 3k4w h VAL 133 CO 0.59 0.00 0.00 -0.90 -1.23 0.00 0.00 177.57 176.04 3k4w n ASP 134 N -3.10 3.66 -4.65 4.19 5.75 -1.26 -4.90 116.55 116.24 3k4w n ASP 134 Ca 0.02 -2.28 -0.50 0.00 -0.01 0.00 0.00 54.79 52.01 3k4w n ASP 134 Cb 0.39 -0.48 -0.05 0.00 -1.03 0.00 0.00 41.12 39.94 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 0.88 2.53 -0.34 -1.12 -0.08 -0.68 -4.85 116.55 112.91 3k4w n ASP 135 Ca 0.20 1.08 0.31 0.00 -1.51 0.00 0.00 54.79 54.86 3k4w n ASP 135 Cb 0.68 -1.29 0.55 0.00 2.34 0.00 0.00 41.12 43.39 3k4w n ASP 135 CO 0.00 0.00 0.00 -2.11 0.12 0.00 0.00 177.20 175.21 3k4w n ARG 136 N 3.91 -0.04 0.26 -0.67 1.85 -1.26 -0.20 116.66 120.50 3k4w n ARG 136 Ca 0.20 1.15 0.17 0.00 -1.00 0.00 0.00 57.85 58.37 3k4w n ARG 136 Cb 0.23 -2.15 0.75 0.00 -1.05 0.00 0.00 32.46 30.24 3k4w n ARG 136 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 3k4w h ARG 137 N 0.00 0.00 0.00 2.89 3.08 -1.96 -2.68 114.38 115.71 3k4w h ARG 137 Ca 0.75 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.80 3k4w h ARG 137 Cb 2.18 0.00 0.00 0.00 0.08 0.00 0.00 29.97 32.23 3k4w h ARG 137 CO -0.55 0.00 -1.05 1.28 -1.07 0.00 0.00 179.97 178.58 3k4w n LEU 138 N -2.90 0.67 -0.18 3.04 4.77 0.71 -4.50 117.00 118.61 3k4w n LEU 138 Ca 0.00 0.18 -0.02 0.00 -0.03 0.00 0.00 56.01 56.15 3k4w n LEU 138 Cb 0.24 -0.08 0.08 0.00 -2.33 0.00 0.00 43.42 41.32 3k4w n LEU 138 CO 0.24 -0.08 0.96 1.88 -1.33 0.00 0.00 177.39 179.05 3k4w h TYR 139 N 0.00 0.30 -0.71 -1.77 -1.99 -1.50 -1.64 116.97 109.66 3k4w h TYR 139 Ca 0.00 0.03 0.13 0.00 2.00 0.00 0.00 58.73 60.89 3k4w h TYR 139 Cb 0.88 -0.05 -0.05 0.00 2.00 0.00 0.00 36.73 39.52 3k4w h TYR 139 CO 0.00 0.07 0.47 -1.35 -0.00 0.00 0.00 178.16 177.35 3k4w h PRO 140 N 0.34 0.40 -0.38 4.88 0.11 -1.79 -0.33 132.00 135.23 3k4w h PRO 140 Ca 0.27 -0.02 -0.08 0.00 0.11 0.00 0.00 66.00 66.27 3k4w h PRO 140 Cb 0.33 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 31.33 3k4w h PRO 140 CO -0.29 0.27 -0.08 1.25 -0.21 0.00 0.00 178.00 178.94 3k4w h LEU 141 N 0.42 0.74 -1.07 2.35 5.85 -1.63 -2.14 115.31 119.82 3k4w h LEU 141 Ca 0.34 -0.36 -0.03 0.00 0.84 0.00 0.00 57.88 58.67 3k4w h LEU 141 Cb 0.75 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.55 3k4w h LEU 141 CO -0.10 0.92 0.27 1.88 -0.34 0.00 0.00 178.44 181.06 3k4w h TYR 142 N 0.54 0.94 -0.07 1.25 0.05 -0.42 -1.24 116.97 118.02 3k4w h TYR 142 Ca 0.10 -0.05 -0.00 0.00 0.05 0.00 0.00 58.73 58.82 3k4w h TYR 142 Cb 0.59 -0.29 -0.00 0.00 1.01 0.00 0.00 36.73 38.04 3k4w h TYR 142 CO 0.05 0.71 0.03 0.00 -1.05 0.00 0.00 178.16 177.89 3k4w h ALA 143 N 1.37 0.09 -0.41 3.88 0.00 -1.02 -0.43 119.26 122.75 3k4w h ALA 143 Ca 0.22 -0.10 0.08 0.00 0.00 0.00 0.00 54.91 55.11 3k4w h ALA 143 Cb 0.16 -0.03 -0.09 0.00 0.00 0.00 0.00 17.79 17.83 3k4w h ALA 143 CO -0.02 -0.32 -0.35 0.35 0.00 0.00 0.00 179.25 178.91 3k4w h PHE 144 N -0.06 -0.98 -0.71 0.00 3.57 -1.28 -0.62 116.94 116.86 3k4w h PHE 144 Ca 0.02 0.06 -0.05 0.00 3.53 0.00 0.00 57.97 61.53 3k4w h PHE 144 Cb 0.18 0.49 -0.03 0.00 2.79 0.00 0.00 35.95 39.38 3k4w h PHE 144 CO -0.01 -0.40 0.24 0.00 -2.23 0.00 0.00 178.31 175.91 3k4w h GLU 146 N 1.04 0.19 -0.18 0.00 4.81 -0.95 -1.40 114.58 118.08 3k4w h GLU 146 Ca 0.23 -0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.42 3k4w h GLU 146 Cb 0.28 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.61 3k4w h GLU 146 CO -0.01 0.12 -0.03 -0.44 -0.73 0.00 0.00 179.01 177.92 3k4w h ASP 147 N 0.19 0.24 -0.23 1.04 3.32 -1.02 -3.06 116.42 116.89 3k4w h ASP 147 Ca 0.09 -0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.11 3k4w h ASP 147 Cb 0.05 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 39.54 3k4w h ASP 147 CO -0.09 0.31 0.00 0.59 -1.72 0.00 0.00 179.24 178.34 3k4w n ASN 148 N -4.35 3.21 -1.56 6.45 3.02 -0.86 -4.98 115.26 116.17 3k4w n ASN 148 Ca -0.00 -1.97 -0.14 0.00 -0.03 0.00 0.00 54.58 52.44 3k4w n ASN 148 Cb 0.20 -0.14 -0.01 0.00 -0.61 0.00 0.00 39.78 39.22 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 1.38 -0.16 3.60 7.41 0.00 -0.84 -5.00 105.19 111.58 3k4w n GLY 149 Ca 0.16 -0.31 -0.41 0.00 0.00 0.00 0.00 46.02 45.47 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 -2.69 4.94 0.49 -0.61 1.01 -0.59 -4.62 121.20 119.13 3k4w s ILE 150 Ca 0.00 0.82 -0.22 0.00 0.00 0.00 0.00 60.65 61.25 3k4w s ILE 150 Cb 0.00 -4.00 -0.07 0.00 0.01 0.00 0.00 42.46 38.41 3k4w s ILE 150 CO 0.00 -0.15 1.21 -2.84 0.00 0.00 0.00 174.94 173.17 3k4w s PRO 151 N 2.60 3.57 -0.12 2.79 0.02 -1.26 -4.60 135.00 138.00 3k4w s PRO 151 Ca 0.25 1.89 0.02 0.00 0.02 0.00 0.00 61.00 63.17 3k4w s PRO 151 Cb -0.15 -2.34 0.02 0.00 0.02 0.00 0.00 34.50 32.04 3k4w s PRO 151 CO 0.12 -0.74 -0.16 0.08 -0.33 0.00 0.00 177.00 175.97 3k4w s VAL 152 N -1.49 1.56 -0.14 3.83 1.01 -0.35 -2.30 120.40 122.52 3k4w s VAL 152 Ca 0.66 -0.67 -0.16 0.00 0.00 0.00 0.00 61.98 61.81 3k4w s VAL 152 Cb -0.31 -1.43 -0.04 0.00 0.00 0.00 0.00 36.38 34.60 3k4w s VAL 152 CO 0.38 0.45 0.40 -0.63 0.00 0.00 0.00 175.10 175.70 3k4w s ILE 153 N 1.05 5.24 -0.02 2.22 1.01 0.09 -0.49 121.20 130.30 3k4w s ILE 153 Ca -0.05 0.79 0.03 0.00 0.00 0.00 0.00 60.65 61.42 3k4w s ILE 153 Cb -0.15 -3.74 -0.00 0.00 0.01 0.00 0.00 42.46 38.58 3k4w s ILE 153 CO -0.03 0.35 -0.09 0.00 0.00 0.00 0.00 174.94 175.17 3k4w s MET 154 N 0.57 0.85 -0.41 2.79 0.23 0.14 -0.65 119.30 122.82 3k4w s MET 154 Ca 0.22 -0.32 -0.25 0.00 -1.03 0.00 0.00 55.69 54.31 3k4w s MET 154 Cb -0.14 -0.81 0.02 0.00 -1.53 0.00 0.00 34.83 32.37 3k4w s MET 154 CO 0.08 0.16 0.88 1.41 -2.03 0.00 0.00 175.02 175.52 3k4w s MET 155 N -0.03 3.67 0.00 3.16 1.75 -0.61 -0.72 119.30 126.51 3k4w s MET 155 Ca 0.01 0.30 0.00 0.00 -1.25 0.00 0.00 55.69 54.74 3k4w s MET 155 Cb -0.06 -3.86 0.00 0.00 2.84 0.00 0.00 34.83 33.75 3k4w s MET 155 CO -0.00 -1.04 0.62 0.25 -0.65 0.00 0.00 175.02 174.20 3k4w n THR 156 N 6.11 0.27 -4.74 10.11 -2.24 -1.17 -4.78 114.28 117.84 3k4w n THR 156 Ca 0.05 -0.28 -0.32 0.00 -2.27 0.00 0.00 64.05 61.23 3k4w n THR 156 Cb 0.48 0.89 -0.07 0.00 -2.10 0.00 0.00 70.33 69.53 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 -0.27 3.05 0.00 3.38 0.00 -1.13 -4.11 107.32 108.24 3k4w s GLY 157 Ca 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 44.72 44.49 3k4w s GLY 157 CO 0.00 -2.14 0.00 0.61 0.00 0.00 0.00 173.10 171.57 3k4w n GLY 158 N -1.25 2.91 2.57 0.20 0.00 0.24 -3.42 105.19 106.43 3k4w n GLY 158 Ca -0.19 -0.11 -0.41 0.00 0.00 0.00 0.00 46.02 45.32 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 2.33 7.11 0.10 1.61 3.02 -1.26 -4.72 115.26 123.45 3k4w n ASN 159 Ca 0.00 -3.02 0.13 0.00 -0.03 0.00 0.00 54.58 51.66 3k4w n ASN 159 Cb 0.00 -1.44 0.37 0.00 -0.61 0.00 0.00 39.78 38.09 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 2.89 2.36 -3.17 5.41 0.00 -1.22 -4.89 120.51 121.89 3k4w n ALA 160 Ca 0.58 -0.05 -0.01 0.00 0.00 0.00 0.00 53.44 53.97 3k4w n ALA 160 Cb 0.28 -1.43 0.00 0.00 0.00 0.00 0.00 19.45 18.30 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 1.30 2.18 0.32 0.00 0.00 -1.26 -3.58 105.19 104.16 3k4w n GLY 161 Ca 0.05 -1.18 0.20 0.00 0.00 0.00 0.00 46.02 45.09 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 -3.22 1.61 0.11 -1.90 -3.45 132.00 125.15 3k4w h PRO 162 Ca -0.06 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 65.98 3k4w h PRO 162 Cb 0.24 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.33 3k4w h PRO 162 CO 0.08 0.00 0.19 0.16 -0.21 0.00 0.00 178.00 178.22 3k4w s ASP 163 N -5.58 0.19 0.08 -2.05 1.47 -1.26 -5.06 116.67 104.46 3k4w s ASP 163 Ca -0.05 -1.22 0.21 0.00 1.18 0.00 0.00 52.55 52.67 3k4w s ASP 163 Cb 0.14 0.82 0.87 0.00 -0.34 0.00 0.00 42.92 44.40 3k4w s ASP 163 CO 0.47 -1.62 1.66 0.00 0.68 0.00 0.00 175.17 176.36 3k4w n ILE 164 N -0.54 0.68 0.28 2.11 3.06 -1.26 -1.50 119.36 122.18 3k4w n ILE 164 Ca -0.07 0.13 0.14 0.00 -2.50 0.00 0.00 62.75 60.45 3k4w n ILE 164 Cb 0.60 -0.87 0.80 0.00 0.54 0.00 0.00 39.64 40.72 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 0.53 0.00 9.51 1.35 -1.97 -1.75 112.91 120.58 3k4w h THR 165 Ca 0.00 -0.34 0.00 0.00 -0.55 0.00 0.00 66.41 65.52 3k4w h THR 165 Cb 0.39 1.22 0.00 0.00 -1.73 0.00 0.00 68.15 68.03 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 -3.69 0.23 0.32 4.73 4.01 -0.56 -2.15 117.16 120.05 3k4w n TYR 166 Ca -0.02 0.08 0.05 0.00 -0.16 0.00 0.00 57.90 57.85 3k4w n TYR 166 Cb 0.18 -0.63 0.06 0.00 -0.31 0.00 0.00 39.34 38.64 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 -1.70 0.17 -1.66 -0.72 -2.24 -0.67 -4.74 114.28 102.72 3k4w n THR 167 Ca 0.05 -0.59 -0.50 0.00 -2.27 0.00 0.00 64.05 60.74 3k4w n THR 167 Cb 0.27 1.09 -0.05 0.00 -2.10 0.00 0.00 70.33 69.54 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 0.55 2.72 0.29 3.42 2.85 -0.91 -4.84 115.26 119.34 3k4w n ASN 168 Ca 0.07 1.06 0.20 0.00 -0.11 0.00 0.00 54.58 55.80 3k4w n ASN 168 Cb 0.28 -1.31 1.05 0.00 1.24 0.00 0.00 39.78 41.04 3k4w n ASN 168 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 3k4w h PRO 169 N 6.64 0.00 -0.09 1.20 0.13 -1.92 -2.23 132.00 135.73 3k4w h PRO 169 Ca -0.47 0.00 0.03 0.00 -0.87 0.00 0.00 66.00 64.69 3k4w h PRO 169 Cb 1.29 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.41 3k4w h PRO 169 CO 0.89 0.00 0.10 1.05 -0.23 0.00 0.00 178.00 179.80 3k4w h GLU 170 N 0.00 0.00 -0.03 0.86 4.11 -1.97 -1.75 114.58 115.80 3k4w h GLU 170 Ca 0.00 0.00 -0.09 0.00 0.07 0.00 0.00 59.36 59.34 3k4w h GLU 170 Cb 0.01 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.27 3k4w h GLU 170 CO 0.00 0.00 -0.32 0.45 0.07 0.00 0.00 179.01 179.21 3k4w h HIS 171 N 0.00 0.39 -0.10 2.06 3.86 -1.77 -2.38 115.15 117.21 3k4w h HIS 171 Ca 0.04 -0.19 -0.18 0.00 -1.16 0.00 0.00 60.37 58.88 3k4w h HIS 171 Cb 0.23 -0.05 -0.00 0.00 1.06 0.00 0.00 27.41 28.65 3k4w h HIS 171 CO 0.00 0.95 -0.70 0.97 0.86 0.00 0.00 177.93 180.01 3k4w h ILE 172 N -0.29 1.36 -0.90 2.45 2.10 -1.73 -3.02 117.51 117.48 3k4w h ILE 172 Ca -0.03 -2.06 0.01 0.00 1.08 0.00 0.00 64.86 63.86 3k4w h ILE 172 Cb 1.02 2.04 -0.05 0.00 -1.09 0.00 0.00 36.82 38.75 3k4w h ILE 172 CO 0.07 0.63 0.59 -0.78 -1.08 0.00 0.00 178.15 177.58 3k4w h ASP 173 N 0.32 1.02 -0.18 2.19 3.58 -1.38 -2.07 116.42 119.91 3k4w h ASP 173 Ca -0.03 -0.02 0.02 0.00 0.42 0.00 0.00 57.03 57.42 3k4w h ASP 173 Cb 1.28 -0.25 -0.02 0.00 1.72 0.00 0.00 39.33 42.06 3k4w h ASP 173 CO 0.12 0.73 0.05 0.03 -2.88 0.00 0.00 179.24 177.30 3k4w h ARG 174 N 1.20 0.13 -0.49 0.28 3.08 -1.31 -1.82 114.38 115.46 3k4w h ARG 174 Ca 0.33 -0.01 0.06 0.00 0.07 0.00 0.00 59.98 60.43 3k4w h ARG 174 Cb -0.12 -0.03 -0.05 0.00 0.08 0.00 0.00 29.97 29.85 3k4w h ARG 174 CO -0.08 0.08 0.20 0.28 -1.07 0.00 0.00 179.97 179.39 3k4w h VAL 175 N 0.13 0.88 -0.57 2.04 2.07 -1.36 -1.22 116.25 118.22 3k4w h VAL 175 Ca 0.08 -0.14 -0.05 0.00 0.82 0.00 0.00 66.70 67.41 3k4w h VAL 175 Cb 0.06 0.45 -0.02 0.00 -1.52 0.00 0.00 31.29 30.25 3k4w h VAL 175 CO -0.09 0.07 0.16 -0.07 0.02 0.00 0.00 177.57 177.66 3k4w h LEU 176 N 0.40 0.84 -0.36 2.57 3.38 -1.28 0.01 115.31 120.87 3k4w h LEU 176 Ca 0.23 -0.22 0.00 0.00 0.09 0.00 0.00 57.88 57.98 3k4w h LEU 176 Cb 0.20 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.73 3k4w h LEU 176 CO -0.20 0.84 0.00 1.23 0.09 0.00 0.00 178.44 180.40 3k4w h GLY 177 N 0.81 0.00 0.61 0.83 0.00 -1.09 -3.01 103.07 101.22 3k4w h GLY 177 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.51 3k4w h GLY 177 CO -0.00 0.00 -1.24 1.22 0.00 0.00 0.00 176.54 176.52 3k4w n ASP 178 N -2.60 0.56 -3.31 0.19 8.00 -0.48 -4.43 116.55 114.47 3k4w n ASP 178 Ca 0.04 0.03 -0.25 0.00 0.71 0.00 0.00 54.79 55.32 3k4w n ASP 178 Cb 0.40 0.94 -0.08 0.00 -0.02 0.00 0.00 41.12 42.36 3k4w n ASP 178 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 3k4w n PHE 179 N -2.29 0.98 0.60 1.24 3.72 -0.06 -4.98 117.46 116.67 3k4w n PHE 179 Ca -0.00 -3.75 0.09 0.00 -0.05 0.00 0.00 57.45 53.73 3k4w n PHE 179 Cb 0.51 -0.37 0.39 0.00 -0.94 0.00 0.00 39.48 39.07 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 1.40 0.02 -0.12 -1.08 -0.04 -1.14 -1.69 135.00 132.34 3k4w n PRO 180 Ca 0.24 0.21 0.07 0.00 -0.04 0.00 0.00 63.50 63.99 3k4w n PRO 180 Cb 0.48 -1.54 0.14 0.00 -0.04 0.00 0.00 33.50 32.54 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 -1.58 2.78 -4.72 3.54 8.00 -1.26 -4.73 116.55 118.57 3k4w n ASP 181 Ca 0.04 -1.82 -0.40 0.00 0.71 0.00 0.00 54.79 53.32 3k4w n ASP 181 Cb 0.22 -0.16 -0.04 0.00 -0.02 0.00 0.00 41.12 41.11 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 -1.12 4.36 -0.15 0.64 2.96 -0.68 -4.93 118.68 119.75 3k4w s LEU 182 Ca 0.25 1.38 -0.28 0.00 -0.22 0.00 0.00 54.13 55.26 3k4w s LEU 182 Cb 0.14 -3.26 -0.01 0.00 0.50 0.00 0.00 46.19 43.57 3k4w s LEU 182 CO 0.20 -0.13 0.95 -0.89 -1.32 0.00 0.00 176.35 175.16 3k4w s THR 183 N 0.69 4.80 -0.03 3.68 2.01 -1.26 -4.69 115.64 120.84 3k4w s THR 183 Ca 0.42 1.90 0.02 0.00 0.31 0.00 0.00 61.69 64.34 3k4w s THR 183 Cb -0.19 -4.25 0.00 0.00 0.01 0.00 0.00 72.50 68.07 3k4w s THR 183 CO 0.22 -0.02 -0.08 -0.69 -0.69 0.00 0.00 174.62 173.36 3k4w s VAL 184 N 2.29 0.71 -0.19 3.82 1.01 -0.90 -1.21 120.40 125.94 3k4w s VAL 184 Ca 0.44 -0.32 -0.05 0.00 0.00 0.00 0.00 61.98 62.06 3k4w s VAL 184 Cb -0.17 -0.64 -0.02 0.00 0.00 0.00 0.00 36.38 35.54 3k4w s VAL 184 CO 0.14 0.23 -0.01 -0.69 0.00 0.00 0.00 175.10 174.76 3k4w s VAL 185 N 0.24 3.90 -0.54 2.92 1.01 0.36 -0.68 120.40 127.61 3k4w s VAL 185 Ca -0.04 -0.34 -0.23 0.00 0.00 0.00 0.00 61.98 61.38 3k4w s VAL 185 Cb -0.09 -2.75 0.04 0.00 0.00 0.00 0.00 36.38 33.59 3k4w s VAL 185 CO 0.00 0.44 0.88 -0.55 0.00 0.00 0.00 175.10 175.87 3k4w s SER 186 N 0.92 6.32 0.24 3.32 0.15 0.36 -0.68 113.70 124.33 3k4w s SER 186 Ca 0.01 -0.44 -0.30 0.00 0.70 0.00 0.00 55.95 55.92 3k4w s SER 186 Cb -0.14 -2.41 -0.09 0.00 -1.71 0.00 0.00 66.02 61.67 3k4w s SER 186 CO 0.02 -1.16 0.97 -0.94 1.20 0.00 0.00 173.24 173.33 3k4w s SER 187 N 2.79 7.56 0.00 5.45 1.04 0.10 -1.34 113.70 129.31 3k4w s SER 187 Ca 0.28 2.00 0.00 0.00 0.48 0.00 0.00 55.95 58.70 3k4w s SER 187 Cb -0.14 -2.61 0.00 0.00 0.10 0.00 0.00 66.02 63.37 3k4w s SER 187 CO 0.18 0.08 0.00 1.41 0.98 0.00 0.00 173.24 175.89 3k4w n HIS 188 N 1.55 0.00 -1.76 5.02 8.25 0.29 -2.85 115.22 125.72 3k4w n HIS 188 Ca -0.01 0.00 -0.21 0.00 -0.26 0.00 0.00 57.72 57.24 3k4w n HIS 188 Cb 0.47 -0.67 -0.07 0.00 1.12 0.00 0.00 29.99 30.83 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 -1.66 1.51 2.51 -1.41 0.00 -0.45 -1.60 105.19 104.09 3k4w n GLY 189 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.82 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 -1.50 -5.36 -4.76 1.61 5.15 -1.26 -4.89 115.26 104.25 3k4w n ASN 190 Ca -0.22 0.39 -0.41 0.00 -0.60 0.00 0.00 54.58 53.74 3k4w n ASN 190 Cb 0.69 -4.69 -0.01 0.00 -0.53 0.00 0.00 39.78 35.24 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 -2.67 2.92 0.71 1.20 -0.00 -0.63 -1.79 117.44 117.19 3k4w n TRP 191 Ca -0.21 0.39 0.12 0.00 -0.00 0.00 0.00 57.50 57.81 3k4w n TRP 191 Cb 0.66 -2.55 0.19 0.00 -0.00 0.00 0.00 31.31 29.62 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 0.94 2.36 -0.99 5.87 -0.04 -1.26 -0.59 135.00 141.28 3k4w n PRO 192 Ca 0.03 -2.01 -0.30 0.00 -0.04 0.00 0.00 63.50 61.18 3k4w n PRO 192 Cb 0.38 -1.48 -0.02 0.00 -0.04 0.00 0.00 33.50 32.33 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 1.31 1.83 0.04 0.54 7.02 -0.74 -4.69 117.44 122.74 3k4w n TRP 193 Ca 0.17 -2.27 -0.19 0.00 -1.02 0.00 0.00 57.50 54.19 3k4w n TRP 193 Cb 0.58 -1.92 -0.12 0.00 -2.42 0.00 0.00 31.31 27.43 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 3.52 1.38 -0.61 -0.99 2.07 -1.90 -1.74 116.25 117.98 3k4w h VAL 194 Ca 0.58 -2.26 0.08 0.00 0.82 0.00 0.00 66.70 65.93 3k4w h VAL 194 Cb 0.29 2.67 -0.07 0.00 -1.52 0.00 0.00 31.29 32.67 3k4w h VAL 194 CO 1.63 0.67 0.26 1.56 0.02 0.00 0.00 177.57 181.70 3k4w h GLN 195 N 0.02 0.45 0.28 1.57 4.20 -1.95 -2.06 115.11 117.62 3k4w h GLN 195 Ca -0.12 -0.03 -0.01 0.00 0.06 0.00 0.00 58.65 58.55 3k4w h GLN 195 Cb 1.56 -0.10 0.00 0.00 0.30 0.00 0.00 27.48 29.24 3k4w h GLN 195 CO 0.16 0.30 -0.13 0.93 -0.67 0.00 0.00 178.83 179.42 3k4w h GLU 196 N 0.46 -0.36 -0.74 1.46 3.07 -1.94 -3.17 114.58 113.38 3k4w h GLU 196 Ca 0.30 0.02 0.05 0.00 -0.50 0.00 0.00 59.36 59.23 3k4w h GLU 196 Cb 0.33 0.08 -0.04 0.00 -0.84 0.00 0.00 28.75 28.28 3k4w h GLU 196 CO -0.27 -0.15 0.48 0.97 -1.40 0.00 0.00 179.01 178.64 3k4w h ILE 197 N -0.49 1.07 -0.48 3.13 6.09 -1.12 -1.28 117.51 124.44 3k4w h ILE 197 Ca -0.04 -0.29 0.06 0.00 -1.37 0.00 0.00 64.86 63.22 3k4w h ILE 197 Cb 0.37 0.16 -0.05 0.00 0.47 0.00 0.00 36.82 37.76 3k4w h ILE 197 CO 0.06 0.15 0.18 0.40 -3.07 0.00 0.00 178.15 175.87 3k4w h ILE 198 N 0.84 0.85 -0.89 2.19 1.08 -1.44 0.47 117.51 120.61 3k4w h ILE 198 Ca 0.30 -0.12 -0.01 0.00 -0.39 0.00 0.00 64.86 64.65 3k4w h ILE 198 Cb 0.14 0.47 -0.04 0.00 -3.07 0.00 0.00 36.82 34.31 3k4w h ILE 198 CO -0.09 0.06 0.54 -0.74 -0.69 0.00 0.00 178.15 177.23 3k4w h HIS 199 N 0.35 1.18 -0.41 1.37 -0.00 -1.37 0.09 115.15 116.36 3k4w h HIS 199 Ca 0.23 -0.00 -0.04 0.00 -0.00 0.00 0.00 60.37 60.55 3k4w h HIS 199 Cb 0.22 -0.39 -0.02 0.00 -0.00 0.00 0.00 27.41 27.23 3k4w h HIS 199 CO -0.15 0.79 0.08 0.28 -0.00 0.00 0.00 177.93 178.92 3k4w h VAL 200 N 1.23 1.19 0.01 5.26 2.07 -0.70 -0.92 116.25 124.40 3k4w h VAL 200 Ca 0.32 -0.71 -0.22 0.00 0.82 0.00 0.00 66.70 66.91 3k4w h VAL 200 Cb -0.05 0.80 -0.00 0.00 -1.52 0.00 0.00 31.29 30.52 3k4w h VAL 200 CO -0.06 0.25 -0.95 0.00 0.02 0.00 0.00 177.57 176.84 3k4w h ALA 201 N 1.50 0.39 -1.00 1.67 0.00 -0.53 0.46 119.26 121.75 3k4w h ALA 201 Ca 0.13 -0.73 0.06 0.00 0.00 0.00 0.00 54.91 54.37 3k4w h ALA 201 Cb 0.26 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 17.95 3k4w h ALA 201 CO 0.00 0.86 0.65 0.35 0.00 0.00 0.00 179.25 181.12 3k4w h PHE 202 N 0.18 1.21 0.12 0.00 3.57 -0.49 -3.25 116.94 118.29 3k4w h PHE 202 Ca -0.07 0.03 -0.31 0.00 3.53 0.00 0.00 57.97 61.15 3k4w h PHE 202 Cb 1.59 -0.40 -0.01 0.00 2.79 0.00 0.00 35.95 39.92 3k4w h PHE 202 CO 0.05 0.65 -1.55 -0.09 -2.23 0.00 0.00 178.31 175.14 3k4w h ARG 203 N 1.21 0.26 -4.26 1.11 2.43 -0.75 -3.44 114.38 110.94 3k4w h ARG 203 Ca 0.42 -0.44 -0.73 0.00 -0.81 0.00 0.00 59.98 58.42 3k4w h ARG 203 Cb 0.11 0.16 -0.28 0.00 -0.42 0.00 0.00 29.97 29.54 3k4w h ARG 203 CO -0.16 1.12 -0.36 1.03 -1.51 0.00 0.00 179.97 180.10 3k4w s ARG 204 N -2.61 2.59 0.32 0.20 1.81 0.12 -4.99 118.95 116.38 3k4w s ARG 204 Ca -0.10 -1.74 0.25 0.00 -1.72 0.00 0.00 55.73 52.42 3k4w s ARG 204 Cb 0.07 -4.00 1.10 0.00 -0.45 0.00 0.00 34.95 31.67 3k4w s ARG 204 CO 0.85 -1.21 1.76 -1.00 -0.68 0.00 0.00 175.30 175.02 3k4w h PRO 205 N 8.54 0.00 -0.54 3.54 0.13 -1.86 -2.52 132.00 139.29 3k4w h PRO 205 Ca -0.23 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.90 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 0.89 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.75 3k4w n ASN 206 N -2.37 3.63 -4.69 1.44 3.02 -1.26 -4.93 115.26 110.09 3k4w n ASN 206 Ca 0.01 -1.99 -0.40 0.00 -0.03 0.00 0.00 54.58 52.17 3k4w n ASN 206 Cb 0.20 -0.36 -0.05 0.00 -0.61 0.00 0.00 39.78 38.96 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 -1.27 4.23 -0.03 3.41 2.96 -0.95 -2.11 118.68 124.92 3k4w s LEU 207 Ca 0.43 0.97 0.02 0.00 -0.22 0.00 0.00 54.13 55.33 3k4w s LEU 207 Cb 0.24 -2.94 -0.03 0.00 0.50 0.00 0.00 46.19 43.96 3k4w s LEU 207 CO 0.32 -0.18 -0.05 -0.31 -1.32 0.00 0.00 176.35 174.81 3k4w s TYR 208 N 1.34 2.96 -0.08 5.38 2.02 0.15 -4.89 117.35 124.22 3k4w s TYR 208 Ca 0.32 0.03 0.02 0.00 -0.37 0.00 0.00 57.07 57.06 3k4w s TYR 208 Cb -0.16 -1.67 -0.02 0.00 -0.40 0.00 0.00 41.96 39.70 3k4w s TYR 208 CO 0.13 0.38 -0.12 -0.51 -1.57 0.00 0.00 175.55 173.86 3k4w s LEU 209 N -1.15 2.85 -0.52 -1.29 1.43 0.48 -0.49 118.68 119.99 3k4w s LEU 209 Ca 0.15 -0.19 0.04 0.00 -1.03 0.00 0.00 54.13 53.10 3k4w s LEU 209 Cb -0.11 -1.61 0.16 0.00 0.03 0.00 0.00 46.19 44.66 3k4w s LEU 209 CO 0.05 0.29 0.37 -0.55 0.23 0.00 0.00 176.35 176.74 3k4w s SER 210 N -0.37 3.04 0.47 2.29 0.15 -0.87 -1.34 113.70 117.07 3k4w s SER 210 Ca 0.04 -3.24 0.17 0.00 0.70 0.00 0.00 55.95 53.63 3k4w s SER 210 Cb -0.12 -0.95 1.14 0.00 -1.71 0.00 0.00 66.02 64.37 3k4w s SER 210 CO 0.02 -0.16 2.03 1.55 1.20 0.00 0.00 173.24 177.88 3k4w h PRO 211 N 5.79 0.00 0.00 5.44 0.13 -1.81 0.92 132.00 142.47 3k4w h PRO 211 Ca 0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 3k4w h PRO 211 Cb 0.86 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.99 3k4w h PRO 211 CO 0.51 0.15 0.00 -0.40 -0.23 0.00 0.00 178.00 178.02 3k4w n ASP 212 N -4.22 0.00 -0.23 1.44 5.68 -1.26 -2.03 116.55 115.93 3k4w n ASP 212 Ca -0.02 0.00 0.05 0.00 -0.50 0.00 0.00 54.79 54.31 3k4w n ASP 212 Cb 0.22 0.00 0.30 0.00 -1.14 0.00 0.00 41.12 40.50 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 0.87 0.00 0.11 -0.00 -1.74 -2.88 114.93 111.29 3k4w h MET 213 Ca 0.00 -0.05 0.00 0.00 -0.00 0.00 0.00 59.70 59.65 3k4w h MET 213 Cb 0.00 -0.20 0.00 0.00 -0.00 0.00 0.00 31.60 31.40 3k4w h MET 213 CO 0.00 0.57 0.00 0.66 -0.00 0.00 0.00 176.91 178.14 3k4w n TYR 214 N -4.47 0.17 0.25 -0.10 4.01 -0.86 -2.22 117.16 113.93 3k4w n TYR 214 Ca 0.11 0.07 0.11 0.00 -0.16 0.00 0.00 57.90 58.03 3k4w n TYR 214 Cb 0.19 -0.60 0.73 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 0.00 0.00 -8.42 7.72 5.85 -1.62 -3.39 115.31 115.45 3k4w h LEU 215 Ca 0.00 0.00 -0.54 0.00 0.84 0.00 0.00 57.88 58.18 3k4w h LEU 215 Cb 0.28 0.00 -0.08 0.00 0.37 0.00 0.00 40.66 41.23 3k4w h LEU 215 CO 0.00 0.00 1.07 -0.47 -0.34 0.00 0.00 178.44 178.70 3k4w s TYR 216 N -4.92 2.30 -1.31 1.25 5.04 -0.94 -4.20 117.35 114.56 3k4w s TYR 216 Ca -0.05 0.11 -0.02 0.00 -2.44 0.00 0.00 57.07 54.67 3k4w s TYR 216 Cb 0.17 -4.57 0.00 0.00 0.35 0.00 0.00 41.96 37.91 3k4w s TYR 216 CO 0.63 -2.01 0.26 -1.71 -1.34 0.00 0.00 175.55 171.39 3k4w n ASN 217 N 9.44 -5.05 -4.37 4.32 5.15 -1.26 -4.99 115.26 118.51 3k4w n ASN 217 Ca 0.06 -0.13 -0.19 0.00 -0.60 0.00 0.00 54.58 53.71 3k4w n ASN 217 Cb 0.49 -4.01 -0.10 0.00 -0.53 0.00 0.00 39.78 35.63 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 -5.08 2.49 0.42 1.20 1.43 -1.26 -5.09 118.68 112.78 3k4w s LEU 218 Ca 0.13 -1.10 -0.25 0.00 -1.03 0.00 0.00 54.13 51.88 3k4w s LEU 218 Cb -0.06 -0.60 -0.10 0.00 0.03 0.00 0.00 46.19 45.46 3k4w s LEU 218 CO 0.16 -0.28 1.11 -2.65 0.23 0.00 0.00 176.35 174.92 3k4w n PRO 219 N -0.45 1.56 -0.17 1.29 -0.02 -1.26 -2.48 135.00 133.46 3k4w n PRO 219 Ca -0.07 0.56 0.00 0.00 -2.02 0.00 0.00 63.50 61.97 3k4w n PRO 219 Cb 0.62 -2.16 0.00 0.00 -0.02 0.00 0.00 33.50 31.94 3k4w n PRO 219 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3k4w n GLY 220 N 1.05 0.82 0.31 -1.23 0.00 -1.26 -4.93 105.19 99.94 3k4w n GLY 220 Ca 0.08 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.04 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 1.11 -0.31 1.61 6.17 -1.78 -0.43 115.15 121.52 3k4w h HIS 221 Ca 0.00 -0.09 -0.15 0.00 0.71 0.00 0.00 60.37 60.84 3k4w h HIS 221 Cb 0.00 -0.33 -0.01 0.00 2.52 0.00 0.00 27.41 29.59 3k4w h HIS 221 CO 0.00 0.86 -0.39 0.00 0.71 0.00 0.00 177.93 179.10 3k4w h ALA 222 N 1.13 0.71 -0.15 5.26 0.00 -1.93 -0.92 119.26 123.36 3k4w h ALA 222 Ca 0.24 -0.45 0.03 0.00 0.00 0.00 0.00 54.91 54.73 3k4w h ALA 222 Cb 0.23 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 3k4w h ALA 222 CO -0.02 0.66 -0.05 -0.44 0.00 0.00 0.00 179.25 179.41 3k4w h ASP 223 N 0.62 -0.16 -0.35 0.00 3.32 -1.90 0.15 116.42 118.09 3k4w h ASP 223 Ca 0.05 0.05 0.02 0.00 0.02 0.00 0.00 57.03 57.17 3k4w h ASP 223 Cb 0.94 0.10 -0.03 0.00 0.22 0.00 0.00 39.33 40.57 3k4w h ASP 223 CO 0.09 -0.06 0.18 -0.26 -1.72 0.00 0.00 179.24 177.46 3k4w h PHE 224 N -0.02 0.33 -0.62 4.55 0.04 -0.88 -2.04 116.94 118.30 3k4w h PHE 224 Ca 0.07 0.01 -0.09 0.00 2.80 0.00 0.00 57.97 60.77 3k4w h PHE 224 Cb 0.13 -0.10 -0.02 0.00 2.20 0.00 0.00 35.95 38.16 3k4w h PHE 224 CO -0.19 0.18 0.05 0.82 -0.60 0.00 0.00 178.31 178.57 3k4w h ILE 225 N 0.36 1.26 -0.43 -0.55 1.08 -1.06 -0.80 117.51 117.38 3k4w h ILE 225 Ca 0.15 -1.09 -0.01 0.00 -0.39 0.00 0.00 64.86 63.51 3k4w h ILE 225 Cb 0.05 0.75 -0.02 0.00 -3.07 0.00 0.00 36.82 34.53 3k4w h ILE 225 CO -0.10 0.40 0.24 -0.61 -0.69 0.00 0.00 178.15 177.39 3k4w h GLN 226 N 0.97 0.60 -0.46 2.37 4.15 -0.45 -1.78 115.11 120.51 3k4w h GLN 226 Ca 0.18 -0.07 -0.03 0.00 0.77 0.00 0.00 58.65 59.51 3k4w h GLN 226 Cb 0.50 -0.12 -0.02 0.00 0.21 0.00 0.00 27.48 28.06 3k4w h GLN 226 CO 0.02 0.48 0.18 0.00 -1.93 0.00 0.00 178.83 177.58 3k4w h ALA 227 N 1.09 0.60 -1.01 3.38 0.00 -1.19 -2.73 119.26 119.40 3k4w h ALA 227 Ca 0.15 -0.15 0.16 0.00 0.00 0.00 0.00 54.91 55.07 3k4w h ALA 227 Cb 0.05 -0.18 -0.10 0.00 0.00 0.00 0.00 17.79 17.56 3k4w h ALA 227 CO -0.02 0.21 0.62 0.00 0.00 0.00 0.00 179.25 180.06 3k4w h ALA 228 N 1.03 1.60 0.00 0.00 0.00 -0.53 0.26 119.26 121.62 3k4w h ALA 228 Ca 0.15 0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.11 3k4w h ALA 228 Cb 0.20 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.84 3k4w h ALA 228 CO -0.01 0.09 0.00 0.09 0.00 0.00 0.00 179.25 179.41 3k4w n ASN 229 N -4.69 0.00 0.00 0.00 3.02 -0.73 -3.31 115.26 109.55 3k4w n ASN 229 Ca 0.21 0.22 0.00 0.00 -0.03 0.00 0.00 54.58 54.98 3k4w n ASN 229 Cb 0.47 -0.38 0.00 0.00 -0.61 0.00 0.00 39.78 39.26 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 -1.38 0.00 0.27 6.41 2.88 0.82 -4.95 113.62 117.67 3k4w n SER 230 Ca 0.07 0.00 0.15 0.00 -1.33 0.00 0.00 58.87 57.76 3k4w n SER 230 Cb 0.19 0.00 0.73 0.00 -0.75 0.00 0.00 64.21 64.38 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 0.00 -0.20 0.66 -5.15 -1.86 -2.73 116.94 107.66 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 0.09 0.00 -0.11 -2.00 0.00 0.00 178.31 176.29 3k4w n LEU 232 N -3.36 2.18 -0.32 2.10 7.94 -0.72 -4.18 117.00 120.66 3k4w n LEU 232 Ca -0.01 -0.90 0.15 0.00 -1.11 0.00 0.00 56.01 54.14 3k4w n LEU 232 Cb 0.27 -0.13 0.34 0.00 0.53 0.00 0.00 43.42 44.43 3k4w n LEU 232 CO 0.29 0.45 1.08 0.00 -1.11 0.00 0.00 177.39 178.09 3k4w h ALA 233 N 4.22 1.56 -0.00 1.96 0.00 -1.47 0.14 119.26 125.66 3k4w h ALA 233 Ca 0.00 0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.06 3k4w h ALA 233 Cb 0.64 0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.55 3k4w h ALA 233 CO 0.00 -0.34 -0.08 -0.25 0.00 0.00 0.00 179.25 178.58 3k4w n ASP 234 N -5.01 0.22 -0.24 0.00 8.00 -1.26 -4.17 116.55 114.10 3k4w n ASP 234 Ca 0.24 -0.25 0.04 0.00 0.71 0.00 0.00 54.79 55.53 3k4w n ASP 234 Cb 0.70 -0.19 0.06 0.00 -0.02 0.00 0.00 41.12 41.67 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 -1.19 0.78 -3.74 -1.24 1.74 -0.01 -4.83 116.66 108.17 3k4w n ARG 235 Ca 0.13 -1.63 -0.36 0.00 -0.77 0.00 0.00 57.85 55.22 3k4w n ARG 235 Cb 0.27 -0.94 -0.06 0.00 -1.02 0.00 0.00 32.46 30.71 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 -1.24 3.61 -0.14 5.56 1.75 -0.94 -0.39 119.30 127.51 3k4w s MET 236 Ca 0.13 0.02 0.01 0.00 -1.25 0.00 0.00 55.69 54.60 3k4w s MET 236 Cb 0.11 -3.16 0.02 0.00 2.84 0.00 0.00 34.83 34.64 3k4w s MET 236 CO 0.01 0.71 -0.16 -0.51 -0.65 0.00 0.00 175.02 174.43 3k4w s LEU 237 N -1.29 1.78 0.30 4.11 1.43 -0.45 -4.31 118.68 120.25 3k4w s LEU 237 Ca 0.21 -0.50 -0.30 0.00 -1.03 0.00 0.00 54.13 52.52 3k4w s LEU 237 Cb -0.14 -1.22 -0.11 0.00 0.03 0.00 0.00 46.19 44.76 3k4w s LEU 237 CO 0.10 -0.02 1.58 0.12 0.23 0.00 0.00 176.35 178.36 3k4w s PHE 238 N 1.29 2.75 0.02 0.29 5.36 -0.68 -4.39 117.98 122.63 3k4w s PHE 238 Ca 0.01 0.82 -0.28 0.00 -0.96 0.00 0.00 56.93 56.52 3k4w s PHE 238 Cb -0.14 -4.05 0.07 0.00 -0.34 0.00 0.00 43.02 38.57 3k4w s PHE 238 CO -0.08 -3.50 0.67 0.20 -1.46 0.00 0.00 175.22 171.05 3k4w s GLY 239 N 0.44 -0.58 -0.02 13.12 0.00 -1.26 -1.17 107.32 117.86 3k4w s GLY 239 Ca 0.62 1.07 0.17 0.00 0.00 0.00 0.00 44.72 46.58 3k4w s GLY 239 CO 0.49 0.68 0.43 -1.30 0.00 0.00 0.00 173.10 173.40 3k4w n THR 240 N 0.44 0.00 -1.32 0.90 -2.24 -1.26 -4.09 114.28 106.71 3k4w n THR 240 Ca -0.18 -0.34 -0.11 0.00 -2.27 0.00 0.00 64.05 61.15 3k4w n THR 240 Cb 0.60 0.27 -0.05 0.00 -2.10 0.00 0.00 70.33 69.05 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 -1.97 -0.17 -1.45 6.98 0.00 -0.85 -3.99 120.51 119.06 3k4w n ALA 241 Ca -0.02 0.18 -0.55 0.00 0.00 0.00 0.00 53.44 53.05 3k4w n ALA 241 Cb 0.41 -1.73 -0.06 0.00 0.00 0.00 0.00 19.45 18.06 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 -2.26 0.30 0.47 0.00 9.36 -1.08 -1.03 117.16 122.92 3k4w n TYR 242 Ca -0.11 1.02 0.05 0.00 3.32 0.00 0.00 57.90 62.18 3k4w n TYR 242 Cb 0.57 -2.02 0.19 0.00 -0.63 0.00 0.00 39.34 37.45 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 1.33 2.34 -0.01 2.98 -0.04 -1.26 -1.74 135.00 138.60 3k4w n PRO 243 Ca 0.19 -1.52 -0.03 0.00 -0.04 0.00 0.00 63.50 62.10 3k4w n PRO 243 Cb 0.13 -1.53 0.20 0.00 -0.04 0.00 0.00 33.50 32.26 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 2.25 0.55 -5.60 0.54 2.86 -1.36 -3.44 114.93 110.73 3k4w h MET 244 Ca 0.00 -0.19 -0.51 0.00 -2.06 0.00 0.00 59.70 56.94 3k4w h MET 244 Cb 0.81 -0.04 -0.27 0.00 0.06 0.00 0.00 31.60 32.15 3k4w h MET 244 CO 0.10 0.71 -0.82 0.00 1.06 0.00 0.00 176.91 177.96 3k4w s PRO 246 N -0.82 4.04 0.06 0.00 0.04 -1.26 -4.00 135.00 133.06 3k4w s PRO 246 Ca 0.05 2.23 -0.23 0.00 0.04 0.00 0.00 61.00 63.09 3k4w s PRO 246 Cb -0.07 -2.84 -0.15 0.00 0.04 0.00 0.00 34.50 31.48 3k4w s PRO 246 CO 0.01 -0.46 1.59 -0.07 0.04 0.00 0.00 177.00 178.10 3k4w h LEU 247 N 2.83 0.06 0.92 -3.56 3.38 -1.96 -2.81 115.31 114.17 3k4w h LEU 247 Ca -0.50 -0.17 -0.05 0.00 0.09 0.00 0.00 57.88 57.26 3k4w h LEU 247 Cb 1.24 -0.02 0.01 0.00 0.09 0.00 0.00 40.66 41.99 3k4w h LEU 247 CO 0.63 0.21 -0.44 0.50 0.09 0.00 0.00 178.44 179.43 3k4w h LYS 248 N -0.10 -1.19 -0.28 1.13 3.64 -1.93 -0.84 116.57 117.00 3k4w h LYS 248 Ca 0.01 0.08 -0.09 0.00 -1.27 0.00 0.00 60.65 59.39 3k4w h LYS 248 Cb 0.17 0.27 -0.01 0.00 -0.41 0.00 0.00 32.23 32.25 3k4w h LYS 248 CO -0.00 -0.80 -0.20 0.93 -2.27 0.00 0.00 179.45 177.12 3k4w h GLU 249 N -1.26 0.51 -0.10 1.90 3.07 -1.99 -0.95 114.58 115.76 3k4w h GLU 249 Ca -0.13 -0.17 -0.03 0.00 -0.50 0.00 0.00 59.36 58.53 3k4w h GLU 249 Cb 0.95 -0.04 -0.00 0.00 -0.84 0.00 0.00 28.75 28.82 3k4w h GLU 249 CO 0.21 0.68 -0.04 -0.92 -1.40 0.00 0.00 179.01 177.54 3k4w h TYR 250 N 0.46 0.23 -0.59 4.33 3.20 -1.50 -2.59 116.97 120.52 3k4w h TYR 250 Ca 0.08 -0.06 -0.08 0.00 3.14 0.00 0.00 58.73 61.81 3k4w h TYR 250 Cb 0.60 -0.05 -0.02 0.00 1.54 0.00 0.00 36.73 38.79 3k4w h TYR 250 CO 0.02 0.55 0.04 1.15 -1.64 0.00 0.00 178.16 178.28 3k4w h THR 251 N -0.15 1.26 0.20 1.81 2.02 -0.98 -1.41 112.91 115.67 3k4w h THR 251 Ca 0.02 -1.07 0.00 0.00 0.77 0.00 0.00 66.41 66.13 3k4w h THR 251 Cb 0.48 0.80 -0.02 0.00 -1.74 0.00 0.00 68.15 67.68 3k4w h THR 251 CO 0.01 0.39 -0.20 -0.33 0.37 0.00 0.00 175.52 175.76 3k4w h GLU 252 N 0.90 -0.42 -0.15 6.66 5.08 -1.20 -1.65 114.58 123.81 3k4w h GLU 252 Ca 0.17 0.03 0.05 0.00 -1.00 0.00 0.00 59.36 58.61 3k4w h GLU 252 Cb 0.49 0.10 -0.06 0.00 0.50 0.00 0.00 28.75 29.78 3k4w h GLU 252 CO 0.02 -0.28 -0.22 2.35 -1.00 0.00 0.00 179.01 179.88 3k4w h TRP 253 N -0.44 -0.58 -0.54 4.33 7.01 -1.45 -2.98 115.95 121.30 3k4w h TRP 253 Ca -0.00 0.03 0.04 0.00 2.11 0.00 0.00 58.89 61.07 3k4w h TRP 253 Cb 0.41 0.28 -0.03 0.00 -2.10 0.00 0.00 29.16 27.72 3k4w h TRP 253 CO -0.15 -0.30 0.36 0.35 -2.79 0.00 0.00 178.44 175.91 3k4w h PHE 254 N -0.27 0.56 0.00 2.65 3.57 -0.91 0.05 116.94 122.60 3k4w h PHE 254 Ca 0.11 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.62 3k4w h PHE 254 Cb 0.43 -0.19 0.00 0.00 2.79 0.00 0.00 35.95 38.98 3k4w h PHE 254 CO -0.34 0.32 0.00 -0.07 -2.23 0.00 0.00 178.31 175.99 3k4w h LEU 255 N 0.57 0.00 -0.10 0.59 3.38 -1.16 -2.97 115.31 115.62 3k4w h LEU 255 Ca 0.22 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.19 3k4w h LEU 255 Cb 0.17 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.92 3k4w h LEU 255 CO -0.06 0.00 -0.30 0.35 0.09 0.00 0.00 178.44 178.52 3k4w n THR 256 N -2.86 0.00 -1.79 0.22 -2.24 -0.00 -4.96 114.28 102.65 3k4w n THR 256 Ca 0.02 -0.03 -0.38 0.00 -2.27 0.00 0.00 64.05 61.39 3k4w n THR 256 Cb 0.34 0.05 0.05 0.00 -2.10 0.00 0.00 70.33 68.67 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 -2.85 3.76 -1.26 3.22 1.43 -1.13 -4.87 118.68 116.99 3k4w s LEU 257 Ca 0.16 2.70 -0.16 0.00 -1.03 0.00 0.00 54.13 55.80 3k4w s LEU 257 Cb 0.18 -4.40 -0.02 0.00 0.03 0.00 0.00 46.19 41.99 3k4w s LEU 257 CO 0.60 -1.70 2.16 -0.81 0.23 0.00 0.00 176.35 176.83 3k4w n PRO 258 N -1.32 2.48 -4.08 1.29 -0.04 -1.26 -4.85 135.00 127.22 3k4w n PRO 258 Ca 0.12 -2.36 -0.34 0.00 -0.04 0.00 0.00 63.50 60.88 3k4w n PRO 258 Cb 0.46 -3.16 -0.14 0.00 -0.04 0.00 0.00 33.50 30.62 3k4w n PRO 258 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 3k4w s ILE 259 N 3.69 3.17 0.25 0.52 1.01 -1.26 -4.95 121.20 123.62 3k4w s ILE 259 Ca 0.50 -0.57 -0.29 0.00 0.00 0.00 0.00 60.65 60.29 3k4w s ILE 259 Cb 0.14 -2.41 -0.15 0.00 0.01 0.00 0.00 42.46 40.05 3k4w s ILE 259 CO -0.03 0.46 0.97 2.29 0.00 0.00 0.00 174.94 178.63 3k4w n LYS 260 N 4.55 1.13 -0.25 2.79 2.85 -1.26 -4.58 118.16 123.38 3k4w n LYS 260 Ca -0.19 0.40 -0.03 0.00 -1.05 0.00 0.00 58.31 57.45 3k4w n LYS 260 Cb 0.51 -1.74 0.04 0.00 -0.65 0.00 0.00 35.03 33.18 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 2.13 -0.09 -0.23 -1.58 0.11 -1.98 0.28 132.00 130.63 3k4w h PRO 261 Ca -0.39 0.01 -0.08 0.00 0.11 0.00 0.00 66.00 65.65 3k4w h PRO 261 Cb 1.35 0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.47 3k4w h PRO 261 CO 0.62 -0.06 -0.19 0.38 -0.21 0.00 0.00 178.00 178.54 3k4w h ASP 262 N -0.09 0.41 -0.24 -2.05 2.03 -2.01 -1.89 116.42 112.57 3k4w h ASP 262 Ca 0.29 -0.12 -0.18 0.00 -0.73 0.00 0.00 57.03 56.29 3k4w h ASP 262 Cb 0.56 -0.11 -0.00 0.00 -0.83 0.00 0.00 39.33 38.95 3k4w h ASP 262 CO -0.76 0.61 -0.54 0.00 -1.03 0.00 0.00 179.24 177.53 3k4w h ALA 263 N 1.43 0.51 -0.78 4.15 0.00 -1.66 -2.96 119.26 119.95 3k4w h ALA 263 Ca 0.06 -0.51 0.06 0.00 0.00 0.00 0.00 54.91 54.52 3k4w h ALA 263 Cb 0.55 -0.08 -0.06 0.00 0.00 0.00 0.00 17.79 18.21 3k4w h ALA 263 CO 0.04 0.68 0.47 1.98 0.00 0.00 0.00 179.25 182.42 3k4w h MET 264 N 0.64 0.84 -0.02 0.00 -1.53 0.26 -0.38 114.93 114.74 3k4w h MET 264 Ca 0.02 -0.05 -0.10 0.00 -3.44 0.00 0.00 59.70 56.12 3k4w h MET 264 Cb 1.14 -0.19 -0.01 0.00 -0.55 0.00 0.00 31.60 31.98 3k4w h MET 264 CO 0.12 0.56 -0.47 0.93 0.14 0.00 0.00 176.91 178.19 3k4w h GLU 265 N 0.87 0.04 -0.27 0.39 5.08 -1.42 -1.05 114.58 118.22 3k4w h GLU 265 Ca 0.34 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.66 3k4w h GLU 265 Cb 0.16 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.40 3k4w h GLU 265 CO -0.17 0.50 0.08 0.87 -1.00 0.00 0.00 179.01 179.29 3k4w h LYS 266 N 0.03 0.42 0.07 2.33 1.57 -0.93 -1.13 116.57 118.93 3k4w h LYS 266 Ca -0.00 -0.09 -0.25 0.00 -1.87 0.00 0.00 60.65 58.44 3k4w h LYS 266 Cb 0.84 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 33.10 3k4w h LYS 266 CO 0.06 0.48 -1.09 0.82 -0.57 0.00 0.00 179.45 179.15 3k4w h ILE 267 N 0.27 1.44 -0.32 1.86 2.04 -1.24 0.24 117.51 121.81 3k4w h ILE 267 Ca 0.09 -2.72 -0.14 0.00 1.00 0.00 0.00 64.86 63.09 3k4w h ILE 267 Cb 0.24 2.67 -0.01 0.00 -0.74 0.00 0.00 36.82 38.98 3k4w h ILE 267 CO -0.00 0.80 -0.36 -0.07 0.00 0.00 0.00 178.15 178.52 3k4w h LEU 268 N 0.16 0.78 0.00 1.44 3.38 -1.25 -1.79 115.31 118.02 3k4w h LEU 268 Ca -0.11 -0.34 0.00 0.00 0.09 0.00 0.00 57.88 57.52 3k4w h LEU 268 Cb 1.77 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 42.30 3k4w h LEU 268 CO 0.19 1.06 0.00 0.00 0.09 0.00 0.00 178.44 179.78 3k4w n HIS 269 N -4.05 0.00 -0.10 1.13 1.44 -0.90 -0.58 115.22 112.16 3k4w n HIS 269 Ca -0.01 0.00 -0.04 0.00 -2.01 0.00 0.00 57.72 55.66 3k4w n HIS 269 Cb 0.51 0.00 0.18 0.00 0.12 0.00 0.00 29.99 30.80 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 0.82 0.78 -1.39 0.00 -0.45 0.85 103.07 103.67 3k4w h GLY 270 Ca 0.00 -0.54 -0.07 0.00 0.00 0.00 0.00 47.33 46.73 3k4w h GLY 270 CO 0.00 0.50 -0.17 3.43 0.00 0.00 0.00 176.54 180.30 3k4w h ASN 271 N 0.72 0.43 -0.42 0.19 2.35 -0.80 -1.81 115.58 116.24 3k4w h ASN 271 Ca 0.14 -0.48 0.01 0.00 -0.55 0.00 0.00 56.30 55.42 3k4w h ASN 271 Cb 0.43 -0.12 -0.02 0.00 0.05 0.00 0.00 38.32 38.65 3k4w h ASN 271 CO 0.02 0.82 0.26 0.00 -1.65 0.00 0.00 177.43 176.88 3k4w h ALA 272 N 0.62 0.53 -0.72 -0.83 0.00 -1.70 -2.03 119.26 115.14 3k4w h ALA 272 Ca 0.03 -0.02 0.12 0.00 0.00 0.00 0.00 54.91 55.04 3k4w h ALA 272 Cb 0.70 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 18.30 3k4w h ALA 272 CO 0.04 -0.04 0.48 0.93 0.00 0.00 0.00 179.25 180.66 3k4w h GLU 273 N 0.54 0.48 -0.45 0.00 5.08 -0.66 -0.74 114.58 118.83 3k4w h GLU 273 Ca 0.16 -0.03 -0.12 0.00 -1.00 0.00 0.00 59.36 58.37 3k4w h GLU 273 Cb -0.03 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.10 3k4w h GLU 273 CO -0.06 0.32 -0.20 -0.09 -1.00 0.00 0.00 179.01 177.98 3k4w h ARG 274 N 0.50 0.93 0.05 2.33 2.43 -0.64 -0.45 114.38 119.53 3k4w h ARG 274 Ca 0.35 -0.40 -0.00 0.00 -0.81 0.00 0.00 59.98 59.11 3k4w h ARG 274 Cb 0.66 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.18 3k4w h ARG 274 CO -0.12 1.06 -0.03 -0.07 -1.51 0.00 0.00 179.97 179.30 3k4w h LEU 275 N 0.76 -0.06 -0.82 3.80 3.38 -0.84 -0.07 115.31 121.45 3k4w h LEU 275 Ca 0.10 -0.12 0.13 0.00 0.09 0.00 0.00 57.88 58.08 3k4w h LEU 275 Cb 0.77 0.02 -0.09 0.00 0.09 0.00 0.00 40.66 41.45 3k4w h LEU 275 CO 0.06 0.08 0.42 -0.07 0.09 0.00 0.00 178.44 179.03 3k4w h LEU 276 N -0.20 0.53 -0.41 1.67 3.38 -1.14 0.12 115.31 119.26 3k4w h LEU 276 Ca -0.01 0.08 -0.04 0.00 0.09 0.00 0.00 57.88 58.00 3k4w h LEU 276 Cb 0.18 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 40.90 3k4w h LEU 276 CO 0.01 0.25 0.11 0.00 0.09 0.00 0.00 178.44 178.90 3k4w h ALA 277 N 1.52 0.54 -0.90 1.53 0.00 -0.63 -1.91 119.26 119.41 3k4w h ALA 277 Ca 0.43 -0.19 0.01 0.00 0.00 0.00 0.00 54.91 55.17 3k4w h ALA 277 Cb 0.56 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 18.15 3k4w h ALA 277 CO -0.33 0.21 0.59 0.37 0.00 0.00 0.00 179.25 180.10 3k4w h GLN 278 N 0.52 1.17 -0.79 0.00 4.15 -0.16 0.12 115.11 120.12 3k4w h GLN 278 Ca 0.13 -0.07 -0.01 0.00 0.77 0.00 0.00 58.65 59.47 3k4w h GLN 278 Cb 0.30 -0.27 -0.04 0.00 0.21 0.00 0.00 27.48 27.69 3k4w h GLN 278 CO 0.00 0.78 0.47 0.00 -1.93 0.00 0.00 178.83 178.15 3k4w h ALA 279 N 1.33 1.34 0.00 3.38 0.00 -0.55 -1.20 119.26 123.57 3k4w h ALA 279 Ca 0.33 -0.09 -0.09 0.00 0.00 0.00 0.00 54.91 55.06 3k4w h ALA 279 Cb -0.13 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.33 3k4w h ALA 279 CO -0.08 0.56 -0.43 0.78 0.00 0.00 0.00 179.25 180.09 3k4w h GLY 280 N 1.11 0.00 0.00 0.00 0.00 -0.93 -3.47 103.07 99.79 3k4w h GLY 280 Ca 0.28 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.61 3k4w h GLY 280 CO -0.05 0.00 0.00 0.54 0.00 0.00 0.00 176.54 177.03