#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3g1u s TYR 4 N 0.00 -0.05 -0.19 -0.67 -0.85 -1.26 -4.33 117.35 110.01 3g1u s TYR 4 Ca 0.00 -0.02 -0.06 0.00 -0.52 0.00 0.00 57.07 56.48 3g1u s TYR 4 Cb 0.00 0.53 0.09 0.00 0.38 0.00 0.00 41.96 42.96 3g1u s TYR 4 CO 0.00 -0.18 0.37 0.21 -1.52 0.00 0.00 175.55 174.43 3g1u s LYS 5 N -2.30 0.28 0.24 -3.49 2.20 -0.06 -4.97 119.74 111.65 3g1u s LYS 5 Ca 0.13 0.88 0.01 0.00 -0.36 0.00 0.00 55.97 56.63 3g1u s LYS 5 Cb 0.04 0.10 -0.05 0.00 -1.51 0.00 0.00 37.83 36.41 3g1u s LYS 5 CO -0.04 -0.33 0.10 0.14 -0.36 0.00 0.00 175.35 174.86 3g1u s VAL 6 N 2.56 0.43 -0.00 4.02 -7.23 -1.26 -1.44 120.40 117.47 3g1u s VAL 6 Ca 0.01 -2.00 -0.25 0.00 -1.81 0.00 0.00 61.98 57.93 3g1u s VAL 6 Cb -0.13 -2.60 -0.19 0.00 0.56 0.00 0.00 36.38 34.02 3g1u s VAL 6 CO -0.12 -0.01 1.35 0.50 -0.31 0.00 0.00 175.10 176.52 3g1u h LYS 7 N 2.44 0.00 -1.36 4.82 1.63 -1.90 -3.45 116.57 118.76 3g1u h LYS 7 Ca -0.38 -0.00 -0.04 0.00 -0.85 0.00 0.00 60.65 59.38 3g1u h LYS 7 Cb 1.25 -0.00 -0.25 0.00 -0.60 0.00 0.00 32.23 32.63 3g1u h LYS 7 CO 0.59 0.40 -0.40 0.34 -3.45 0.00 0.00 179.45 176.93 3g1u s ASP 8 N -5.61 -0.70 0.58 4.20 3.68 -1.26 -5.03 116.67 112.54 3g1u s ASP 8 Ca -0.15 0.32 0.34 0.00 2.13 0.00 0.00 52.55 55.18 3g1u s ASP 8 Cb 0.02 1.68 1.80 0.00 -1.45 0.00 0.00 42.92 44.97 3g1u s ASP 8 CO 0.67 -0.30 2.19 -0.29 0.13 0.00 0.00 175.17 177.57 3g1u h ILE 9 N 6.08 0.32 0.00 4.11 6.09 -1.93 -1.64 117.51 130.55 3g1u h ILE 9 Ca -0.14 -0.27 0.00 0.00 -1.37 0.00 0.00 64.86 63.08 3g1u h ILE 9 Cb 1.16 1.20 0.00 0.00 0.47 0.00 0.00 36.82 39.64 3g1u h ILE 9 CO 0.24 0.05 0.00 -1.54 -3.07 0.00 0.00 178.15 173.82 3g1u n SER 10 N -3.45 0.63 0.00 2.19 3.41 -1.26 -2.11 113.62 113.02 3g1u n SER 10 Ca -0.02 0.65 0.14 0.00 -0.26 0.00 0.00 58.87 59.38 3g1u n SER 10 Cb 0.17 -0.79 0.74 0.00 -0.26 0.00 0.00 64.21 64.07 3g1u n SER 10 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3g1u n LEU 11 N -2.19 0.00 -0.27 1.04 4.77 -0.61 -4.18 117.00 115.56 3g1u n LEU 11 Ca 0.02 0.21 0.04 0.00 -0.03 0.00 0.00 56.01 56.25 3g1u n LEU 11 Cb 0.23 -0.21 0.17 0.00 -2.33 0.00 0.00 43.42 41.28 3g1u n LEU 11 CO 0.19 -0.02 1.08 0.00 -1.33 0.00 0.00 177.39 177.31 3g1u h ALA 12 N 3.44 1.10 -0.41 -1.18 0.00 -1.62 -1.39 119.26 119.19 3g1u h ALA 12 Ca 0.00 0.07 -0.07 0.00 0.00 0.00 0.00 54.91 54.91 3g1u h ALA 12 Cb 0.19 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 3g1u h ALA 12 CO 0.00 -0.06 -0.02 0.93 0.00 0.00 0.00 179.25 180.10 3g1u h GLU 13 N 0.61 0.74 -0.06 0.00 3.07 -1.84 0.16 114.58 117.26 3g1u h GLU 13 Ca 0.40 -0.25 -0.00 0.00 -0.50 0.00 0.00 59.36 59.01 3g1u h GLU 13 Cb 0.48 -0.06 -0.00 0.00 -0.84 0.00 0.00 28.75 28.33 3g1u h GLU 13 CO -0.31 0.84 0.03 2.35 -1.40 0.00 0.00 179.01 180.52 3g1u h TRP 14 N 0.57 0.09 -0.67 4.33 7.01 -1.79 -2.73 115.95 122.77 3g1u h TRP 14 Ca 0.11 -0.00 0.06 0.00 2.11 0.00 0.00 58.89 61.17 3g1u h TRP 14 Cb 0.51 -0.03 -0.04 0.00 -2.10 0.00 0.00 29.16 27.51 3g1u h TRP 14 CO 0.04 0.14 0.44 0.78 -2.79 0.00 0.00 178.44 177.05 3g1u h GLY 15 N 0.00 0.86 1.08 2.65 0.00 -0.94 -1.86 103.07 104.87 3g1u h GLY 15 Ca 0.02 -0.28 -0.10 0.00 0.00 0.00 0.00 47.33 46.97 3g1u h GLY 15 CO -0.00 0.22 -0.04 -0.09 0.00 0.00 0.00 176.54 176.63 3g1u h ARG 16 N 0.70 1.05 -0.45 4.80 9.65 -0.48 0.68 114.38 130.32 3g1u h ARG 16 Ca 0.28 -0.35 -0.03 0.00 -1.10 0.00 0.00 59.98 58.78 3g1u h ARG 16 Cb 0.23 -0.09 -0.02 0.00 -1.39 0.00 0.00 29.97 28.70 3g1u h ARG 16 CO -0.09 1.05 0.15 0.87 2.80 0.00 0.00 179.97 184.75 3g1u h LYS 17 N 0.94 0.70 -0.61 0.20 1.57 -1.12 -0.70 116.57 117.54 3g1u h LYS 17 Ca 0.16 -0.15 0.04 0.00 -1.87 0.00 0.00 60.65 58.84 3g1u h LYS 17 Cb 0.60 -0.10 -0.05 0.00 0.08 0.00 0.00 32.23 32.76 3g1u h LYS 17 CO 0.04 0.66 0.35 0.00 -0.57 0.00 0.00 179.45 179.94 3g1u h ALA 18 N 1.00 0.80 -0.58 3.86 0.00 -1.16 -1.75 119.26 121.43 3g1u h ALA 18 Ca 0.15 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 3g1u h ALA 18 Cb 0.25 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 3g1u h ALA 18 CO -0.01 0.06 0.29 0.82 0.00 0.00 0.00 179.25 180.41 3g1u h ILE 19 N 0.68 1.20 -0.94 0.00 2.04 -0.64 -1.71 117.51 118.15 3g1u h ILE 19 Ca 0.26 -0.56 0.01 0.00 1.00 0.00 0.00 64.86 65.57 3g1u h ILE 19 Cb 0.10 0.50 -0.05 0.00 -0.74 0.00 0.00 36.82 36.63 3g1u h ILE 19 CO -0.14 0.23 0.62 -0.08 0.00 0.00 0.00 178.15 178.78 3g1u h GLU 20 N 0.79 1.22 -0.55 2.37 4.81 -0.81 -0.66 114.58 121.75 3g1u h GLU 20 Ca 0.20 -0.07 -0.09 0.00 -0.13 0.00 0.00 59.36 59.27 3g1u h GLU 20 Cb 0.10 -0.27 -0.02 0.00 0.63 0.00 0.00 28.75 29.18 3g1u h GLU 20 CO -0.03 0.81 -0.00 -0.07 -0.73 0.00 0.00 179.01 178.99 3g1u h LEU 21 N 1.25 0.92 -0.19 1.64 3.38 -1.05 -3.19 115.31 118.07 3g1u h LEU 21 Ca 0.35 -0.24 -0.02 0.00 0.09 0.00 0.00 57.88 58.05 3g1u h LEU 21 Cb -0.12 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.38 3g1u h LEU 21 CO -0.08 0.98 0.03 0.00 0.09 0.00 0.00 178.44 179.45 3g1u h ALA 22 N 1.12 0.26 -0.87 1.53 0.00 -0.72 -3.03 119.26 117.55 3g1u h ALA 22 Ca 0.16 -0.17 0.21 0.00 0.00 0.00 0.00 54.91 55.11 3g1u h ALA 22 Cb 0.51 -0.07 -0.16 0.00 0.00 0.00 0.00 17.79 18.08 3g1u h ALA 22 CO 0.03 -0.08 -0.01 0.93 0.00 0.00 0.00 179.25 180.12 3g1u h GLU 23 N 0.11 0.06 0.00 0.00 5.08 -1.13 0.47 114.58 119.17 3g1u h GLU 23 Ca 0.06 -0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.41 3g1u h GLU 23 Cb 0.31 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.55 3g1u h GLU 23 CO 0.00 0.04 -0.00 -0.91 -1.00 0.00 0.00 179.01 177.14 3g1u h ASN 24 N 0.06 0.00 -0.19 1.42 2.35 -1.53 -1.56 115.58 116.13 3g1u h ASN 24 Ca 0.49 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.24 3g1u h ASN 24 Cb 0.92 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.29 3g1u h ASN 24 CO -0.80 0.00 0.00 -0.62 -1.65 0.00 0.00 177.43 174.37 3g1u n GLU 25 N -3.16 2.22 -3.13 0.81 -0.58 0.16 -4.64 120.64 112.30 3g1u n GLU 25 Ca -0.03 -2.00 -0.24 0.00 -0.42 0.00 0.00 57.16 54.48 3g1u n GLU 25 Cb 0.10 -1.45 -0.05 0.00 -0.57 0.00 0.00 31.44 29.47 3g1u n GLU 25 CO 0.00 0.00 0.00 -1.33 -0.48 0.00 0.00 177.13 175.32 3g1u n MET 26 N 1.30 2.01 0.26 3.49 2.81 -0.59 -2.97 117.12 123.43 3g1u n MET 26 Ca 0.15 -4.10 0.10 0.00 -1.81 0.00 0.00 57.70 52.04 3g1u n MET 26 Cb 0.56 -1.92 0.69 0.00 -0.71 0.00 0.00 33.22 31.84 3g1u n MET 26 CO 0.00 0.00 0.00 -1.00 1.51 0.00 0.00 175.97 176.48 3g1u h PRO 27 N 3.32 0.00 0.12 0.03 0.13 -1.83 -2.64 132.00 131.14 3g1u h PRO 27 Ca 0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.26 3g1u h PRO 27 Cb 0.74 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.85 3g1u h PRO 27 CO 0.66 0.06 -0.12 0.78 -0.23 0.00 0.00 178.00 179.15 3g1u h GLY 28 N 0.24 -0.25 1.05 1.56 0.00 -1.86 -0.37 103.07 103.44 3g1u h GLY 28 Ca -0.00 0.14 -0.12 0.00 0.00 0.00 0.00 47.33 47.35 3g1u h GLY 28 CO 0.01 -0.13 -0.22 1.41 0.00 0.00 0.00 176.54 177.61 3g1u h LEU 29 N -0.27 0.91 -1.21 3.11 3.38 -1.73 -2.30 115.31 117.19 3g1u h LEU 29 Ca 0.01 -0.41 -0.05 0.00 0.09 0.00 0.00 57.88 57.51 3g1u h LEU 29 Cb 0.26 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.75 3g1u h LEU 29 CO -0.04 1.12 -0.04 0.24 0.09 0.00 0.00 178.44 179.82 3g1u h MET 30 N 0.70 0.49 -0.10 1.13 2.86 -1.44 -2.48 114.93 116.09 3g1u h MET 30 Ca 0.09 -0.11 -0.11 0.00 -2.06 0.00 0.00 59.70 57.50 3g1u h MET 30 Cb 0.79 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 32.37 3g1u h MET 30 CO 0.07 0.55 -0.44 0.93 1.06 0.00 0.00 176.91 179.07 3g1u h GLU 31 N 0.47 0.22 -0.58 1.72 4.39 -0.87 -2.72 114.58 117.22 3g1u h GLU 31 Ca 0.10 -0.11 -0.07 0.00 0.34 0.00 0.00 59.36 59.62 3g1u h GLU 31 Cb 0.37 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.00 3g1u h GLU 31 CO 0.02 0.63 0.11 -0.07 -1.16 0.00 0.00 179.01 178.53 3g1u h LEU 32 N 0.19 0.92 -0.32 1.33 3.38 -1.06 -0.89 115.31 118.85 3g1u h LEU 32 Ca 0.01 -0.25 0.02 0.00 0.09 0.00 0.00 57.88 57.75 3g1u h LEU 32 Cb 0.86 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.34 3g1u h LEU 32 CO 0.07 0.94 0.17 0.03 0.09 0.00 0.00 178.44 179.73 3g1u h ARG 33 N 0.86 0.34 -0.10 1.13 3.08 -1.31 0.80 114.38 119.18 3g1u h ARG 33 Ca 0.18 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.21 3g1u h ARG 33 Cb 0.40 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.37 3g1u h ARG 33 CO 0.01 0.22 0.05 -0.09 -1.07 0.00 0.00 179.97 179.10 3g1u h ARG 34 N 0.35 0.11 -0.21 0.04 2.43 -1.38 0.98 114.38 116.71 3g1u h ARG 34 Ca 0.13 -0.01 -0.21 0.00 -0.81 0.00 0.00 59.98 59.09 3g1u h ARG 34 Cb 0.03 -0.03 0.01 0.00 -0.42 0.00 0.00 29.97 29.56 3g1u h ARG 34 CO -0.08 0.07 -0.69 1.49 -1.51 0.00 0.00 179.97 179.26 3g1u h GLU 35 N 0.12 0.82 -0.00 0.20 4.81 -0.96 -3.36 114.58 116.20 3g1u h GLU 35 Ca 0.04 -0.60 0.00 0.00 -0.13 0.00 0.00 59.36 58.67 3g1u h GLU 35 Cb 0.00 0.11 0.00 0.00 0.63 0.00 0.00 28.75 29.49 3g1u h GLU 35 CO -0.02 1.22 -0.68 0.66 -0.73 0.00 0.00 179.01 179.46 3g1u n TYR 36 N -3.96 0.00 -0.15 0.92 4.01 0.26 -4.61 117.16 113.63 3g1u n TYR 36 Ca -0.06 0.00 -0.09 0.00 -0.16 0.00 0.00 57.90 57.59 3g1u n TYR 36 Cb 0.70 0.00 -0.07 0.00 -0.31 0.00 0.00 39.34 39.66 3g1u n TYR 36 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 3g1u h GLY 37 N 3.51 -1.35 0.28 2.72 0.00 -0.93 -1.83 103.07 105.48 3g1u h GLY 37 Ca 0.00 0.80 0.15 0.00 0.00 0.00 0.00 47.33 48.29 3g1u h GLY 37 CO 0.00 -0.31 0.57 -2.55 0.00 0.00 0.00 176.54 174.25 3g1u h PRO 38 N -0.20 0.79 -0.00 4.80 0.11 -1.81 -2.51 132.00 133.17 3g1u h PRO 38 Ca 0.07 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.13 3g1u h PRO 38 Cb 0.37 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 31.30 3g1u h PRO 38 CO -0.47 0.52 -0.24 -1.13 -0.21 0.00 0.00 178.00 176.47 3g1u n SER 39 N -4.74 0.45 -4.02 -2.05 3.41 -0.97 -4.98 113.62 100.73 3g1u n SER 39 Ca 0.20 -0.26 -0.33 0.00 -0.26 0.00 0.00 58.87 58.22 3g1u n SER 39 Cb 0.45 -0.03 -0.02 0.00 -0.26 0.00 0.00 64.21 64.36 3g1u n SER 39 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3g1u n GLN 40 N -1.23 -1.62 0.03 4.33 1.13 -0.73 -4.81 117.38 114.49 3g1u n GLN 40 Ca 0.09 0.26 0.06 0.00 -1.94 0.00 0.00 57.00 55.48 3g1u n GLN 40 Cb 0.32 -3.76 0.27 0.00 0.11 0.00 0.00 30.24 27.18 3g1u n GLN 40 CO 0.00 0.00 0.00 -0.35 -1.44 0.00 0.00 177.06 175.27 3g1u n PRO 41 N -4.56 0.04 -0.13 -1.09 -0.04 -1.16 -1.56 135.00 126.50 3g1u n PRO 41 Ca -0.23 0.38 0.08 0.00 -0.04 0.00 0.00 63.50 63.69 3g1u n PRO 41 Cb 0.64 -1.60 0.14 0.00 -0.04 0.00 0.00 33.50 32.65 3g1u n PRO 41 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 3g1u n LEU 42 N -1.68 2.85 -4.68 1.53 4.77 -0.57 -4.81 117.00 114.42 3g1u n LEU 42 Ca 0.02 -1.50 -0.54 0.00 -0.03 0.00 0.00 56.01 53.95 3g1u n LEU 42 Cb 0.12 -0.17 -0.06 0.00 -2.33 0.00 0.00 43.42 40.98 3g1u n LEU 42 CO 0.10 0.63 1.24 1.17 -1.33 0.00 0.00 177.39 179.20 3g1u n LYS 43 N 0.94 1.36 0.00 3.23 4.81 -0.60 -0.12 118.16 127.78 3g1u n LYS 43 Ca 0.13 0.50 0.00 0.00 -0.87 0.00 0.00 58.31 58.07 3g1u n LYS 43 Cb 0.45 -2.20 0.00 0.00 0.02 0.00 0.00 35.03 33.31 3g1u n LYS 43 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3g1u n GLY 44 N 3.77 3.25 3.75 3.14 0.00 -1.26 -5.00 105.19 112.84 3g1u n GLY 44 Ca 0.23 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.84 3g1u n GLY 44 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3g1u s ALA 45 N -2.79 3.51 -0.39 4.61 0.00 0.83 -4.95 121.76 122.58 3g1u s ALA 45 Ca 0.00 1.12 0.03 0.00 0.00 0.00 0.00 51.96 53.11 3g1u s ALA 45 Cb 0.00 -3.46 0.11 0.00 0.00 0.00 0.00 23.12 19.77 3g1u s ALA 45 CO 0.00 -0.52 0.13 0.15 0.00 0.00 0.00 175.76 175.52 3g1u s LYS 46 N -0.62 1.53 -0.30 0.00 1.02 -1.26 -1.59 119.74 118.52 3g1u s LYS 46 Ca 0.54 -2.02 -0.17 0.00 0.02 0.00 0.00 55.97 54.34 3g1u s LYS 46 Cb -0.37 -3.05 -0.02 0.00 -0.52 0.00 0.00 37.83 33.87 3g1u s LYS 46 CO 0.42 -1.01 0.45 0.42 -0.92 0.00 0.00 175.35 174.70 3g1u s ILE 47 N 0.60 5.10 -0.23 2.17 1.01 0.90 -1.46 121.20 129.30 3g1u s ILE 47 Ca 0.13 0.52 -0.23 0.00 0.00 0.00 0.00 60.65 61.07 3g1u s ILE 47 Cb -0.21 -3.82 -0.01 0.00 0.01 0.00 0.00 42.46 38.43 3g1u s ILE 47 CO -0.07 0.01 0.75 0.00 0.00 0.00 0.00 174.94 175.63 3g1u s ALA 48 N 2.22 3.61 -0.12 9.38 0.00 -0.64 -1.90 121.76 134.30 3g1u s ALA 48 Ca 0.17 -0.21 0.00 0.00 0.00 0.00 0.00 51.96 51.92 3g1u s ALA 48 Cb -0.16 -3.17 -0.02 0.00 0.00 0.00 0.00 23.12 19.77 3g1u s ALA 48 CO 0.11 -0.81 -0.12 0.20 0.00 0.00 0.00 175.76 175.14 3g1u s GLY 49 N 1.33 1.56 -0.37 0.00 0.00 -0.21 -1.34 107.32 108.28 3g1u s GLY 49 Ca 0.32 -0.89 0.01 0.00 0.00 0.00 0.00 44.72 44.16 3g1u s GLY 49 CO 0.09 -0.28 0.16 0.00 0.00 0.00 0.00 173.10 173.07 3g1u s LEU 51 N 0.99 -0.79 -0.18 0.00 0.20 -0.65 -2.15 118.68 116.09 3g1u s LEU 51 Ca 0.14 1.36 -0.16 0.00 0.69 0.00 0.00 54.13 56.15 3g1u s LEU 51 Cb -0.21 2.29 -0.07 0.00 -0.43 0.00 0.00 46.19 47.77 3g1u s LEU 51 CO -0.11 -0.22 0.66 1.41 -0.29 0.00 0.00 176.35 177.79 3g1u n HIS 52 N 3.56 0.51 -2.02 5.38 8.25 -1.26 -4.33 115.22 125.31 3g1u n HIS 52 Ca -0.17 0.34 -0.41 0.00 -0.26 0.00 0.00 57.72 57.21 3g1u n HIS 52 Cb 0.57 -0.79 -0.01 0.00 1.12 0.00 0.00 29.99 30.87 3g1u n HIS 52 CO 0.00 0.00 0.00 -0.12 0.64 0.00 0.00 176.34 176.86 3g1u n MET 53 N 2.04 2.66 -3.80 -0.41 1.56 -1.26 -4.56 117.12 113.35 3g1u n MET 53 Ca 0.15 -2.75 -0.22 0.00 -0.27 0.00 0.00 57.70 54.61 3g1u n MET 53 Cb -0.02 -3.38 -0.05 0.00 2.15 0.00 0.00 33.22 31.93 3g1u n MET 53 CO 0.00 0.00 0.00 0.95 -0.73 0.00 0.00 175.97 176.19 3g1u s THR 54 N 4.78 2.53 0.28 1.12 -4.23 -1.26 -1.20 115.64 117.66 3g1u s THR 54 Ca 0.54 -1.49 -0.00 0.00 -1.18 0.00 0.00 61.69 59.56 3g1u s THR 54 Cb 0.08 -3.00 0.30 0.00 1.34 0.00 0.00 72.50 71.22 3g1u s THR 54 CO 0.03 -0.00 1.65 0.58 -0.54 0.00 0.00 174.62 176.34 3g1u h VAL 55 N 1.19 0.34 -0.46 2.29 2.07 -1.90 -0.30 116.25 119.48 3g1u h VAL 55 Ca -0.42 -0.07 -0.03 0.00 0.82 0.00 0.00 66.70 67.00 3g1u h VAL 55 Cb 1.26 0.12 -0.02 0.00 -1.52 0.00 0.00 31.29 31.13 3g1u h VAL 55 CO 0.62 0.04 0.16 1.56 0.02 0.00 0.00 177.57 179.97 3g1u h GLN 56 N 0.21 0.71 -0.18 1.57 7.50 -1.94 -2.79 115.11 120.19 3g1u h GLN 56 Ca 0.52 -0.14 -0.05 0.00 0.50 0.00 0.00 58.65 59.47 3g1u h GLN 56 Cb 1.01 -0.11 -0.01 0.00 0.05 0.00 0.00 27.48 28.42 3g1u h GLN 56 CO -0.64 0.67 -0.11 1.15 -1.50 0.00 0.00 178.83 178.40 3g1u h THR 57 N 0.61 1.18 -0.95 -0.54 2.02 -1.56 -2.15 112.91 111.53 3g1u h THR 57 Ca 0.15 -0.80 0.02 0.00 0.77 0.00 0.00 66.41 66.55 3g1u h THR 57 Cb 0.24 1.17 -0.05 0.00 -1.74 0.00 0.00 68.15 67.78 3g1u h THR 57 CO -0.01 0.25 0.63 0.00 0.37 0.00 0.00 175.52 176.76 3g1u h ALA 58 N 1.61 1.23 -0.69 6.16 0.00 -0.83 0.22 119.26 126.97 3g1u h ALA 58 Ca 0.06 -0.06 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 3g1u h ALA 58 Cb 0.38 -0.37 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 3g1u h ALA 58 CO 0.02 0.56 0.21 0.28 0.00 0.00 0.00 179.25 180.32 3g1u h VAL 59 N 1.25 1.26 -0.11 0.00 2.07 -1.18 -1.27 116.25 118.27 3g1u h VAL 59 Ca 0.36 -0.89 -0.00 0.00 0.82 0.00 0.00 66.70 66.99 3g1u h VAL 59 Cb -0.09 0.53 -0.01 0.00 -1.52 0.00 0.00 31.29 30.21 3g1u h VAL 59 CO -0.09 0.35 0.06 0.25 0.02 0.00 0.00 177.57 178.15 3g1u h LEU 60 N 1.01 0.13 -0.48 2.57 5.85 -1.04 -0.70 115.31 122.65 3g1u h LEU 60 Ca 0.22 -0.07 0.07 0.00 0.84 0.00 0.00 57.88 58.93 3g1u h LEU 60 Cb 0.31 -0.03 -0.06 0.00 0.37 0.00 0.00 40.66 41.25 3g1u h LEU 60 CO -0.01 0.17 0.17 0.40 -0.34 0.00 0.00 178.44 178.83 3g1u h ILE 61 N 0.09 0.83 0.00 4.05 2.04 -0.44 -1.07 117.51 123.02 3g1u h ILE 61 Ca 0.04 -0.12 -0.09 0.00 1.00 0.00 0.00 64.86 65.69 3g1u h ILE 61 Cb 0.06 0.46 -0.01 0.00 -0.74 0.00 0.00 36.82 36.59 3g1u h ILE 61 CO -0.01 0.06 -0.44 -0.33 0.00 0.00 0.00 178.15 177.43 3g1u h GLU 62 N 0.34 0.00 -0.15 2.37 5.08 -1.14 -1.29 114.58 119.80 3g1u h GLU 62 Ca 0.23 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.57 3g1u h GLU 62 Cb 0.24 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.49 3g1u h GLU 62 CO -0.24 0.44 -0.01 1.15 -1.00 0.00 0.00 179.01 179.36 3g1u h THR 63 N 0.00 1.26 -0.57 1.13 2.02 -0.43 0.45 112.91 116.77 3g1u h THR 63 Ca -0.00 -0.86 0.02 0.00 0.77 0.00 0.00 66.41 66.34 3g1u h THR 63 Cb 0.88 1.54 -0.04 0.00 -1.74 0.00 0.00 68.15 68.79 3g1u h THR 63 CO 0.06 0.25 0.35 -0.07 0.37 0.00 0.00 175.52 176.48 3g1u h LEU 64 N -0.01 0.56 -0.55 2.58 3.38 -1.06 -2.18 115.31 118.04 3g1u h LEU 64 Ca 0.04 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.94 3g1u h LEU 64 Cb 0.39 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.00 3g1u h LEU 64 CO 0.01 0.40 0.05 0.50 0.09 0.00 0.00 178.44 179.48 3g1u h LYS 65 N 0.69 0.94 -0.14 1.13 3.64 -1.20 -1.78 116.57 119.85 3g1u h LYS 65 Ca 0.23 -0.28 0.04 0.00 -1.27 0.00 0.00 60.65 59.37 3g1u h LYS 65 Cb 0.01 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 31.73 3g1u h LYS 65 CO -0.09 0.93 0.13 0.00 -2.27 0.00 0.00 179.45 178.14 3g1u h ALA 66 N 0.98 1.88 -0.04 5.00 0.00 -0.59 -0.58 119.26 125.90 3g1u h ALA 66 Ca 0.16 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.07 3g1u h ALA 66 Cb 0.47 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.27 3g1u h ALA 66 CO 0.02 -0.20 0.00 1.28 0.00 0.00 0.00 179.25 180.35 3g1u n LEU 67 N -4.08 1.72 0.00 0.00 4.77 -0.85 -4.70 117.00 113.86 3g1u n LEU 67 Ca 0.00 -0.60 0.00 0.00 -0.03 0.00 0.00 56.01 55.39 3g1u n LEU 67 Cb 0.25 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.32 3g1u n LEU 67 CO 0.30 0.30 0.00 0.61 -1.33 0.00 0.00 177.39 177.27 3g1u n GLY 68 N 1.19 0.94 3.75 -0.72 0.00 -0.23 -1.52 105.19 108.61 3g1u n GLY 68 Ca 0.18 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.84 3g1u n GLY 68 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3g1u s ALA 69 N -2.00 2.46 -0.13 4.61 0.00 -0.70 -3.99 121.76 122.01 3g1u s ALA 69 Ca 0.00 1.00 -0.04 0.00 0.00 0.00 0.00 51.96 52.92 3g1u s ALA 69 Cb 0.00 -3.46 -0.03 0.00 0.00 0.00 0.00 23.12 19.62 3g1u s ALA 69 CO 0.00 -1.32 0.02 -1.21 0.00 0.00 0.00 175.76 173.25 3g1u s GLU 70 N -3.45 3.47 0.02 0.00 2.02 -0.62 -4.40 118.70 115.75 3g1u s GLU 70 Ca 0.77 -0.39 0.03 0.00 0.02 0.00 0.00 54.97 55.40 3g1u s GLU 70 Cb -0.31 -2.97 -0.02 0.00 0.10 0.00 0.00 34.13 30.93 3g1u s GLU 70 CO 0.36 0.48 -0.10 -0.51 0.02 0.00 0.00 175.26 175.51 3g1u s LEU 71 N -0.24 2.13 -0.04 1.80 1.43 -1.26 -0.07 118.68 122.43 3g1u s LEU 71 Ca 0.06 -0.35 0.02 0.00 -1.03 0.00 0.00 54.13 52.83 3g1u s LEU 71 Cb -0.12 -0.41 0.01 0.00 0.03 0.00 0.00 46.19 45.70 3g1u s LEU 71 CO 0.02 -0.00 -0.08 -0.13 0.23 0.00 0.00 176.35 176.39 3g1u s ARG 72 N -0.86 1.05 0.03 1.70 0.52 -0.80 -4.10 118.95 116.48 3g1u s ARG 72 Ca -0.01 -0.26 0.06 0.00 -0.52 0.00 0.00 55.73 55.01 3g1u s ARG 72 Cb -0.06 -0.96 -0.02 0.00 0.52 0.00 0.00 34.95 34.42 3g1u s ARG 72 CO 0.00 0.03 -0.19 -0.46 0.02 0.00 0.00 175.30 174.71 3g1u s TRP 73 N 0.50 1.65 0.25 -0.53 -0.11 0.16 -1.05 118.94 119.81 3g1u s TRP 73 Ca -0.08 -0.35 0.01 0.00 1.22 0.00 0.00 56.10 56.90 3g1u s TRP 73 Cb -0.12 -1.00 -0.05 0.00 -1.50 0.00 0.00 33.47 30.80 3g1u s TRP 73 CO 0.01 0.05 0.10 -1.54 -4.62 0.00 0.00 176.95 170.96 3g1u s SER 74 N -0.98 1.00 0.25 5.86 1.04 0.09 -1.04 113.70 119.91 3g1u s SER 74 Ca 0.06 -1.39 -0.08 0.00 0.48 0.00 0.00 55.95 55.03 3g1u s SER 74 Cb -0.08 0.20 -0.06 0.00 0.10 0.00 0.00 66.02 66.18 3g1u s SER 74 CO 0.01 -0.75 0.55 -0.55 0.98 0.00 0.00 173.24 173.48 3g1u s SER 75 N -3.28 6.56 -0.12 7.02 0.15 -1.25 -1.64 113.70 121.13 3g1u s SER 75 Ca 0.38 0.85 0.15 0.00 0.70 0.00 0.00 55.95 58.03 3g1u s SER 75 Cb 0.08 -2.20 0.65 0.00 -1.71 0.00 0.00 66.02 62.84 3g1u s SER 75 CO 0.13 -0.12 1.53 0.00 1.20 0.00 0.00 173.24 175.99 3g1u s ASN 77 N -0.80 -0.43 0.54 0.00 3.84 -1.26 -4.94 114.94 111.90 3g1u s ASN 77 Ca 0.45 0.68 0.33 0.00 0.21 0.00 0.00 52.86 54.53 3g1u s ASN 77 Cb 0.30 0.73 1.33 0.00 -0.55 0.00 0.00 41.25 43.06 3g1u s ASN 77 CO 0.20 -0.29 1.97 0.16 -2.79 0.00 0.00 177.10 176.35 3g1u h ILE 78 N 4.09 0.07 -0.01 -5.21 3.07 -1.90 -3.25 117.51 114.37 3g1u h ILE 78 Ca -0.28 -0.58 0.00 0.00 1.55 0.00 0.00 64.86 65.56 3g1u h ILE 78 Cb 1.17 1.53 0.00 0.00 -0.27 0.00 0.00 36.82 39.25 3g1u h ILE 78 CO 0.29 0.03 -0.04 0.49 -1.05 0.00 0.00 178.15 177.87 3g1u n PHE 79 N -3.14 0.00 0.27 0.16 3.72 -1.26 -0.16 117.46 117.05 3g1u n PHE 79 Ca 0.00 0.00 0.12 0.00 -0.05 0.00 0.00 57.45 57.52 3g1u n PHE 79 Cb 0.32 0.00 0.08 0.00 -0.94 0.00 0.00 39.48 38.93 3g1u n PHE 79 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 3g1u h SER 80 N 0.98 0.00 -3.97 4.37 4.64 -1.76 -3.38 113.55 114.42 3g1u h SER 80 Ca 0.00 -0.07 -0.54 0.00 -0.47 0.00 0.00 61.79 60.71 3g1u h SER 80 Cb 0.23 0.00 0.11 0.00 -0.31 0.00 0.00 62.40 62.43 3g1u h SER 80 CO 0.00 0.03 0.70 -0.89 -0.87 0.00 0.00 176.83 175.80 3g1u s THR 81 N -3.28 2.16 -0.35 2.95 2.01 -1.26 -4.57 115.64 113.30 3g1u s THR 81 Ca 0.03 0.15 -0.08 0.00 0.31 0.00 0.00 61.69 62.09 3g1u s THR 81 Cb 0.10 -3.09 0.03 0.00 0.01 0.00 0.00 72.50 69.56 3g1u s THR 81 CO 0.75 0.02 0.15 -1.10 -0.69 0.00 0.00 174.62 173.76 3g1u s GLN 82 N -2.33 2.72 0.44 4.92 -0.21 -0.34 -4.22 119.66 120.64 3g1u s GLN 82 Ca 0.58 -1.13 0.11 0.00 0.02 0.00 0.00 55.36 54.95 3g1u s GLN 82 Cb -0.43 -3.57 0.98 0.00 1.00 0.00 0.00 33.01 30.98 3g1u s GLN 82 CO 0.56 -0.68 2.03 -0.44 -2.12 0.00 0.00 175.29 174.65 3g1u h ASP 83 N 8.31 0.19 -0.13 5.90 3.32 -1.94 -0.22 116.42 131.85 3g1u h ASP 83 Ca -0.24 -0.02 -0.06 0.00 0.02 0.00 0.00 57.03 56.73 3g1u h ASP 83 Cb 1.09 -0.05 -0.02 0.00 0.22 0.00 0.00 39.33 40.58 3g1u h ASP 83 CO 0.63 0.23 -0.09 -0.55 -1.72 0.00 0.00 179.24 177.74 3g1u h ASN 84 N 0.21 0.44 -0.12 6.45 -1.07 -1.91 -1.71 115.58 117.87 3g1u h ASN 84 Ca 0.05 -0.10 -0.15 0.00 0.07 0.00 0.00 56.30 56.18 3g1u h ASN 84 Cb 0.14 -0.12 0.01 0.00 -2.07 0.00 0.00 38.32 36.28 3g1u h ASN 84 CO 0.00 0.57 -0.50 0.00 0.07 0.00 0.00 177.43 177.57 3g1u h ALA 85 N 1.48 0.22 -0.51 4.14 0.00 -1.38 -1.87 119.26 121.34 3g1u h ALA 85 Ca 0.08 -0.50 0.00 0.00 0.00 0.00 0.00 54.91 54.49 3g1u h ALA 85 Cb 0.43 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 3g1u h ALA 85 CO 0.02 0.40 0.32 0.00 0.00 0.00 0.00 179.25 179.99 3g1u h ALA 86 N 0.49 0.64 -0.32 0.00 0.00 -1.22 -2.25 119.26 116.61 3g1u h ALA 86 Ca -0.03 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 3g1u h ALA 86 Cb 1.14 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 3g1u h ALA 86 CO 0.10 0.11 0.17 0.00 0.00 0.00 0.00 179.25 179.64 3g1u h ALA 87 N 1.16 0.40 -0.16 0.00 0.00 -1.32 0.75 119.26 120.09 3g1u h ALA 87 Ca 0.18 -0.07 -0.05 0.00 0.00 0.00 0.00 54.91 54.98 3g1u h ALA 87 Cb -0.04 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 3g1u h ALA 87 CO -0.04 -0.07 -0.10 0.00 0.00 0.00 0.00 179.25 179.04 3g1u h ALA 88 N 1.04 1.53 0.00 0.00 0.00 -1.18 0.60 119.26 121.25 3g1u h ALA 88 Ca 0.11 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 3g1u h ALA 88 Cb 0.06 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.76 3g1u h ALA 88 CO -0.02 0.34 -0.10 0.82 0.00 0.00 0.00 179.25 180.29 3g1u h ILE 89 N 0.24 1.63 -0.78 0.00 1.08 -1.24 -3.20 117.51 115.24 3g1u h ILE 89 Ca 0.05 -1.98 0.17 0.00 -0.39 0.00 0.00 64.86 62.71 3g1u h ILE 89 Cb 0.34 2.95 -0.11 0.00 -3.07 0.00 0.00 36.82 36.93 3g1u h ILE 89 CO 0.02 0.52 0.26 0.00 -0.69 0.00 0.00 178.15 178.27 3g1u h ALA 90 N 0.19 1.09 -0.46 1.87 0.00 -0.58 -1.49 119.26 119.88 3g1u h ALA 90 Ca -0.01 0.15 0.04 0.00 0.00 0.00 0.00 54.91 55.09 3g1u h ALA 90 Cb 0.91 0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.84 3g1u h ALA 90 CO 0.02 -0.29 0.31 -0.22 0.00 0.00 0.00 179.25 179.06 3g1u h LYS 91 N 0.36 0.43 0.00 0.00 1.63 -0.95 -1.96 116.57 116.08 3g1u h LYS 91 Ca 0.45 -0.03 0.00 0.00 -0.85 0.00 0.00 60.65 60.22 3g1u h LYS 91 Cb 0.75 -0.10 0.00 0.00 -0.60 0.00 0.00 32.23 32.29 3g1u h LYS 91 CO -0.48 0.29 0.00 1.79 -3.45 0.00 0.00 179.45 177.60 3g1u h THR 92 N 0.45 0.00 0.00 1.00 1.35 -1.26 -3.47 112.91 110.98 3g1u h THR 92 Ca 0.19 -0.59 0.00 0.00 -0.55 0.00 0.00 66.41 65.46 3g1u h THR 92 Cb 0.20 1.54 0.00 0.00 -1.73 0.00 0.00 68.15 68.16 3g1u h THR 92 CO -0.05 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.83 3g1u n GLY 93 N 0.61 1.10 3.68 5.82 0.00 -0.74 -5.08 105.19 110.59 3g1u n GLY 93 Ca 0.03 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.64 3g1u n GLY 93 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3g1u s VAL 94 N -2.00 4.92 -0.15 1.61 1.01 -1.22 -5.01 120.40 119.56 3g1u s VAL 94 Ca 0.00 1.61 -0.29 0.00 0.00 0.00 0.00 61.98 63.30 3g1u s VAL 94 Cb 0.00 -4.12 -0.04 0.00 0.00 0.00 0.00 36.38 32.21 3g1u s VAL 94 CO 0.00 0.08 1.73 -2.84 0.00 0.00 0.00 175.10 174.07 3g1u s PRO 95 N 1.78 3.87 -0.01 2.72 0.02 -1.26 -4.19 135.00 137.93 3g1u s PRO 95 Ca 0.39 1.95 0.03 0.00 0.02 0.00 0.00 61.00 63.38 3g1u s PRO 95 Cb -0.17 -4.07 -0.00 0.00 0.02 0.00 0.00 34.50 30.28 3g1u s PRO 95 CO 0.15 -1.22 -0.09 0.54 -0.33 0.00 0.00 177.00 176.05 3g1u s VAL 96 N 5.13 0.73 -0.38 3.83 0.11 -1.26 -0.66 120.40 127.89 3g1u s VAL 96 Ca 0.77 -0.37 0.01 0.00 -2.93 0.00 0.00 61.98 59.46 3g1u s VAL 96 Cb -0.30 -0.63 0.12 0.00 -1.53 0.00 0.00 36.38 34.05 3g1u s VAL 96 CO 0.31 0.22 0.18 -0.36 -3.33 0.00 0.00 175.10 172.12 3g1u s PHE 97 N -0.05 1.76 -0.29 1.54 0.08 -0.21 -0.88 117.98 119.93 3g1u s PHE 97 Ca 0.01 -2.09 -0.23 0.00 0.12 0.00 0.00 56.93 54.75 3g1u s PHE 97 Cb -0.05 -1.73 0.14 0.00 -0.57 0.00 0.00 43.02 40.81 3g1u s PHE 97 CO -0.00 -0.83 1.07 0.00 -0.10 0.00 0.00 175.22 175.36 3g1u s ALA 98 N 0.91 -2.09 0.02 5.36 0.00 -0.52 -3.95 121.76 121.48 3g1u s ALA 98 Ca 0.15 1.94 -0.21 0.00 0.00 0.00 0.00 51.96 53.84 3g1u s ALA 98 Cb -0.22 -1.56 0.04 0.00 0.00 0.00 0.00 23.12 21.39 3g1u s ALA 98 CO -0.09 -0.25 0.47 1.67 0.00 0.00 0.00 175.76 177.56 3g1u s TRP 99 N 0.50 -0.36 0.18 0.00 -2.14 -1.26 -4.21 118.94 111.65 3g1u s TRP 99 Ca 0.00 0.45 -0.30 0.00 2.66 0.00 0.00 56.10 58.91 3g1u s TRP 99 Cb -0.05 0.26 -0.09 0.00 -3.10 0.00 0.00 33.47 30.50 3g1u s TRP 99 CO -0.10 -0.57 1.35 0.21 -2.66 0.00 0.00 176.95 175.19 3g1u s LYS 100 N -2.05 4.35 0.00 3.25 2.20 -1.26 -3.73 119.74 122.50 3g1u s LYS 100 Ca -0.08 2.09 0.00 0.00 -0.36 0.00 0.00 55.97 57.62 3g1u s LYS 100 Cb -0.01 -3.20 0.00 0.00 -1.51 0.00 0.00 37.83 33.11 3g1u s LYS 100 CO 0.01 -0.33 0.00 0.41 -0.36 0.00 0.00 175.35 175.08 3g1u n GLY 101 N 2.68 0.98 3.76 5.54 0.00 0.77 -5.00 105.19 113.92 3g1u n GLY 101 Ca 0.08 -0.45 -0.35 0.00 0.00 0.00 0.00 46.02 45.30 3g1u n GLY 101 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3g1u s GLU 102 N -3.08 3.08 0.63 1.61 2.02 -0.75 -5.04 118.70 117.17 3g1u s GLU 102 Ca 0.00 1.70 -0.04 0.00 0.02 0.00 0.00 54.97 56.66 3g1u s GLU 102 Cb 0.00 -1.96 0.04 0.00 0.10 0.00 0.00 34.13 32.31 3g1u s GLU 102 CO 0.00 -1.09 0.90 0.95 0.02 0.00 0.00 175.26 176.04 3g1u s THR 103 N -1.74 2.67 0.21 3.63 -4.23 -1.26 -4.84 115.64 110.07 3g1u s THR 103 Ca 0.75 -0.38 -0.09 0.00 -1.18 0.00 0.00 61.69 60.78 3g1u s THR 103 Cb -0.27 -3.08 0.15 0.00 1.34 0.00 0.00 72.50 70.64 3g1u s THR 103 CO 0.32 -0.08 1.82 0.44 -0.54 0.00 0.00 174.62 176.58 3g1u h ASP 104 N -0.27 0.96 -0.34 3.99 3.32 -1.98 0.25 116.42 122.34 3g1u h ASP 104 Ca -0.44 -0.11 -0.02 0.00 0.02 0.00 0.00 57.03 56.49 3g1u h ASP 104 Cb 1.30 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 40.59 3g1u h ASP 104 CO 0.57 0.79 0.14 -0.33 -1.72 0.00 0.00 179.24 178.70 3g1u h GLU 105 N 1.05 0.51 -0.71 3.56 5.08 -1.99 -1.19 114.58 120.90 3g1u h GLU 105 Ca 0.27 -0.09 0.03 0.00 -1.00 0.00 0.00 59.36 58.56 3g1u h GLU 105 Cb 0.05 -0.08 -0.04 0.00 0.50 0.00 0.00 28.75 29.18 3g1u h GLU 105 CO -0.04 0.50 0.45 0.93 -1.00 0.00 0.00 179.01 179.85 3g1u h GLU 106 N 0.41 0.86 0.00 2.33 5.08 -1.87 -0.47 114.58 120.93 3g1u h GLU 106 Ca 0.12 -0.05 0.02 0.00 -1.00 0.00 0.00 59.36 58.45 3g1u h GLU 106 Cb 0.17 -0.19 -0.03 0.00 0.50 0.00 0.00 28.75 29.20 3g1u h GLU 106 CO -0.01 0.57 -0.15 -0.92 -1.00 0.00 0.00 179.01 177.49 3g1u h TYR 107 N 0.88 -0.40 -0.23 4.33 3.20 -0.15 -0.52 116.97 124.08 3g1u h TYR 107 Ca 0.28 0.01 0.01 0.00 3.14 0.00 0.00 58.73 62.17 3g1u h TYR 107 Cb -0.00 0.18 -0.01 0.00 1.54 0.00 0.00 36.73 38.43 3g1u h TYR 107 CO -0.04 -0.23 0.14 0.93 -1.64 0.00 0.00 178.16 177.33 3g1u h GLU 108 N -0.26 0.28 -0.82 1.82 5.08 -1.05 -2.48 114.58 117.17 3g1u h GLU 108 Ca 0.05 -0.02 0.12 0.00 -1.00 0.00 0.00 59.36 58.51 3g1u h GLU 108 Cb 0.32 -0.06 -0.08 0.00 0.50 0.00 0.00 28.75 29.42 3g1u h GLU 108 CO -0.15 0.19 0.43 2.35 -1.00 0.00 0.00 179.01 180.83 3g1u h TRP 109 N 0.29 0.77 -0.62 4.33 7.01 -0.87 -1.71 115.95 125.15 3g1u h TRP 109 Ca 0.09 0.03 0.00 0.00 2.11 0.00 0.00 58.89 61.12 3g1u h TRP 109 Cb -0.02 -0.22 -0.03 0.00 -2.10 0.00 0.00 29.16 26.79 3g1u h TRP 109 CO -0.07 0.25 0.40 0.00 -2.79 0.00 0.00 178.44 176.23 3g1u h ILE 111 N 0.83 1.27 -0.72 0.00 2.04 -1.06 -2.72 117.51 117.15 3g1u h ILE 111 Ca 0.22 -1.30 0.12 0.00 1.00 0.00 0.00 64.86 64.90 3g1u h ILE 111 Cb -0.08 1.13 -0.05 0.00 -0.74 0.00 0.00 36.82 37.08 3g1u h ILE 111 CO -0.05 0.44 0.48 0.00 0.00 0.00 0.00 178.15 179.02 3g1u h ALA 112 N 1.05 1.96 0.00 1.87 0.00 -0.91 -2.18 119.26 121.05 3g1u h ALA 112 Ca 0.11 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.01 3g1u h ALA 112 Cb 0.70 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.39 3g1u h ALA 112 CO 0.05 -0.13 0.00 1.96 0.00 0.00 0.00 179.25 181.13 3g1u h GLN 113 N 0.52 0.00 0.00 0.00 1.08 -1.13 -3.09 115.11 112.49 3g1u h GLN 113 Ca 0.34 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.54 3g1u h GLN 113 Cb 0.62 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.05 3g1u h GLN 113 CO -0.12 0.00 -0.51 0.25 -0.95 0.00 0.00 178.83 177.50 3g1u n THR 114 N -3.00 0.05 -0.76 -0.54 -2.24 -0.82 -3.99 114.28 102.98 3g1u n THR 114 Ca -0.00 -0.04 0.08 0.00 -2.27 0.00 0.00 64.05 61.82 3g1u n THR 114 Cb 0.24 0.17 0.30 0.00 -2.10 0.00 0.00 70.33 68.94 3g1u n THR 114 CO 0.00 0.00 0.00 1.33 -0.57 0.00 0.00 175.07 175.83 3g1u n VAL 115 N -1.59 2.08 -3.92 2.28 0.24 -1.17 -4.60 118.33 111.65 3g1u n VAL 115 Ca 0.05 -1.47 -0.09 0.00 -2.04 0.00 0.00 64.34 60.78 3g1u n VAL 115 Cb 0.35 -0.05 -0.06 0.00 -1.47 0.00 0.00 33.84 32.62 3g1u n VAL 115 CO 0.00 0.00 0.00 -1.59 -2.14 0.00 0.00 176.83 173.10 3g1u s LYS 116 N -2.29 1.31 0.00 7.34 -2.85 -1.26 -4.45 119.74 117.54 3g1u s LYS 116 Ca 0.44 -1.13 0.00 0.00 -1.00 0.00 0.00 55.97 54.28 3g1u s LYS 116 Cb 0.32 0.43 0.00 0.00 -2.06 0.00 0.00 37.83 36.52 3g1u s LYS 116 CO 0.16 -0.52 0.00 0.41 0.10 0.00 0.00 175.35 175.50 3g1u n GLY 117 N -0.29 0.76 3.80 0.59 0.00 -0.31 -4.94 105.19 104.80 3g1u n GLY 117 Ca -0.06 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.67 3g1u n GLY 117 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3g1u s PHE 118 N -2.35 2.31 1.14 1.61 0.40 -0.92 -4.97 117.98 115.21 3g1u s PHE 118 Ca 0.00 0.75 -0.13 0.00 -0.60 0.00 0.00 56.93 56.96 3g1u s PHE 118 Cb 0.00 -3.49 0.27 0.00 0.51 0.00 0.00 43.02 40.31 3g1u s PHE 118 CO 0.00 -2.44 1.04 -1.54 0.70 0.00 0.00 175.22 172.98 3g1u s SER 119 N -4.18 1.25 1.57 1.36 1.04 -1.26 -3.21 113.70 110.27 3g1u s SER 119 Ca 0.65 1.41 0.00 0.00 0.48 0.00 0.00 55.95 58.49 3g1u s SER 119 Cb -0.13 -2.18 0.00 0.00 0.10 0.00 0.00 66.02 63.81 3g1u s SER 119 CO 0.53 -4.02 0.00 0.61 0.98 0.00 0.00 173.24 171.34 3g1u n GLY 120 N 0.37 2.39 0.00 7.32 0.00 -1.26 -2.18 105.19 111.82 3g1u n GLY 120 Ca 0.03 -0.34 0.10 0.00 0.00 0.00 0.00 46.02 45.82 3g1u n GLY 120 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3g1u n ASP 121 N 5.46 0.00 0.00 1.61 5.68 -1.26 -4.87 116.55 123.16 3g1u n ASP 121 Ca 0.00 -0.67 0.00 0.00 -0.50 0.00 0.00 54.79 53.62 3g1u n ASP 121 Cb 0.00 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 39.98 3g1u n ASP 121 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3g1u n GLY 122 N 0.32 0.69 3.70 6.12 0.00 -0.93 -4.91 105.19 110.18 3g1u n GLY 122 Ca 0.16 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.87 3g1u n GLY 122 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3g1u s LEU 123 N 0.00 3.51 0.83 0.99 1.43 -1.26 -1.16 118.68 123.03 3g1u s LEU 123 Ca 0.00 -0.12 -0.11 0.00 -1.03 0.00 0.00 54.13 52.86 3g1u s LEU 123 Cb 0.00 -2.19 0.09 0.00 0.03 0.00 0.00 46.19 44.12 3g1u s LEU 123 CO 0.00 0.20 1.09 -2.16 0.23 0.00 0.00 176.35 175.71 3g1u s PRO 124 N -2.17 1.80 0.00 1.29 0.04 -1.26 -4.82 135.00 129.88 3g1u s PRO 124 Ca 0.25 0.75 0.00 0.00 0.04 0.00 0.00 61.00 62.04 3g1u s PRO 124 Cb -0.12 -1.88 0.00 0.00 0.04 0.00 0.00 34.50 32.55 3g1u s PRO 124 CO 0.17 -1.85 0.55 0.27 0.04 0.00 0.00 177.00 176.19 3g1u n ASN 125 N -3.60 0.49 -3.73 6.66 0.23 -0.53 -4.62 115.26 110.15 3g1u n ASN 125 Ca 0.07 -1.23 -0.13 0.00 -0.53 0.00 0.00 54.58 52.76 3g1u n ASN 125 Cb 0.56 0.00 -0.10 0.00 -2.08 0.00 0.00 39.78 38.16 3g1u n ASN 125 CO 0.00 0.00 0.00 -0.04 -0.93 0.00 0.00 177.26 176.29 3g1u s MET 126 N -0.23 0.52 -0.13 -3.83 -1.94 -1.09 0.05 119.30 112.65 3g1u s MET 126 Ca 0.00 0.42 0.02 0.00 -1.71 0.00 0.00 55.69 54.42 3g1u s MET 126 Cb 0.00 0.25 0.00 0.00 2.01 0.00 0.00 34.83 37.09 3g1u s MET 126 CO 0.00 -0.08 -0.21 0.42 -0.01 0.00 0.00 175.02 175.14 3g1u s ILE 127 N -0.09 2.21 -0.27 2.53 1.01 -0.56 -1.62 121.20 124.41 3g1u s ILE 127 Ca -0.03 -0.94 -0.05 0.00 0.00 0.00 0.00 60.65 59.63 3g1u s ILE 127 Cb -0.03 -1.88 0.01 0.00 0.01 0.00 0.00 42.46 40.56 3g1u s ILE 127 CO 0.01 0.54 0.03 -0.22 0.00 0.00 0.00 174.94 175.30 3g1u s LEU 128 N 0.69 3.51 0.19 2.97 0.20 -0.45 -1.34 118.68 124.45 3g1u s LEU 128 Ca -0.10 -0.67 0.09 0.00 0.69 0.00 0.00 54.13 54.14 3g1u s LEU 128 Cb -0.16 -1.81 -0.04 0.00 -0.43 0.00 0.00 46.19 43.75 3g1u s LEU 128 CO 0.01 -0.14 -0.17 -0.62 -0.29 0.00 0.00 176.35 175.14 3g1u s ASP 129 N 1.46 2.75 -0.32 3.68 2.15 0.36 -1.29 116.67 125.46 3g1u s ASP 129 Ca 0.03 -0.94 -0.02 0.00 0.43 0.00 0.00 52.55 52.04 3g1u s ASP 129 Cb -0.16 -0.17 0.12 0.00 -0.30 0.00 0.00 42.92 42.41 3g1u s ASP 129 CO -0.00 -0.08 0.16 -0.62 -0.17 0.00 0.00 175.17 174.46 3g1u s ASP 130 N -3.02 3.32 0.00 -0.34 -1.08 -0.92 -2.23 116.67 112.41 3g1u s ASP 130 Ca 0.20 -1.68 0.00 0.00 -0.52 0.00 0.00 52.55 50.55 3g1u s ASP 130 Cb -0.04 -0.39 0.00 0.00 -1.46 0.00 0.00 42.92 41.03 3g1u s ASP 130 CO 0.08 -0.38 0.00 0.61 0.52 0.00 0.00 175.17 175.99 3g1u n GLY 131 N 4.73 0.38 0.72 2.66 0.00 -1.26 -4.65 105.19 107.77 3g1u n GLY 131 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 3g1u n GLY 131 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3g1u n GLY 132 N -1.61 1.09 0.17 -0.02 0.00 -1.26 -4.12 105.19 99.44 3g1u n GLY 132 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 3g1u n GLY 132 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3g1u h ASP 133 N 0.00 0.46 -0.24 1.61 3.32 -1.96 0.10 116.42 119.71 3g1u h ASP 133 Ca 0.00 -0.03 -0.12 0.00 0.02 0.00 0.00 57.03 56.90 3g1u h ASP 133 Cb 0.00 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 39.42 3g1u h ASP 133 CO 0.00 0.35 -0.26 0.25 -1.72 0.00 0.00 179.24 177.86 3g1u h LEU 134 N 0.52 0.75 0.09 1.55 5.85 -1.93 -0.61 115.31 121.53 3g1u h LEU 134 Ca 0.14 -0.28 -0.00 0.00 0.84 0.00 0.00 57.88 58.58 3g1u h LEU 134 Cb -0.04 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 40.79 3g1u h LEU 134 CO -0.03 0.97 -0.04 0.74 -0.34 0.00 0.00 178.44 179.74 3g1u h THR 135 N 0.63 0.94 -0.49 1.05 2.02 -1.88 -2.08 112.91 113.10 3g1u h THR 135 Ca 0.08 -0.07 -0.02 0.00 0.77 0.00 0.00 66.41 67.17 3g1u h THR 135 Cb 0.77 0.98 -0.02 0.00 -1.74 0.00 0.00 68.15 68.13 3g1u h THR 135 CO 0.06 0.02 0.21 0.78 0.37 0.00 0.00 175.52 176.96 3g1u h ASN 136 N -0.14 0.62 -0.04 4.18 2.35 -0.68 -2.09 115.58 119.77 3g1u h ASN 136 Ca -0.01 -0.06 -0.01 0.00 -0.55 0.00 0.00 56.30 55.67 3g1u h ASN 136 Cb 0.12 -0.16 -0.00 0.00 0.05 0.00 0.00 38.32 38.33 3g1u h ASN 136 CO 0.02 0.55 0.00 0.25 -1.65 0.00 0.00 177.43 176.60 3g1u h LEU 137 N 0.69 0.07 -0.22 1.61 5.85 -0.90 -0.84 115.31 121.57 3g1u h LEU 137 Ca 0.17 -0.29 -0.01 0.00 0.84 0.00 0.00 57.88 58.59 3g1u h LEU 137 Cb 0.11 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.11 3g1u h LEU 137 CO -0.02 0.34 0.10 0.58 -0.34 0.00 0.00 178.44 179.10 3g1u h VAL 138 N -0.21 1.15 0.07 1.05 2.07 -1.28 0.92 116.25 120.02 3g1u h VAL 138 Ca 0.01 -0.45 -0.00 0.00 0.82 0.00 0.00 66.70 67.08 3g1u h VAL 138 Cb 0.30 1.04 0.00 0.00 -1.52 0.00 0.00 31.29 31.12 3g1u h VAL 138 CO 0.00 0.15 -0.03 0.40 0.02 0.00 0.00 177.57 178.11 3g1u h ILE 139 N 0.22 1.15 0.05 4.57 2.04 -1.40 -1.81 117.51 122.32 3g1u h ILE 139 Ca 0.08 -0.80 -0.23 0.00 1.00 0.00 0.00 64.86 64.91 3g1u h ILE 139 Cb 0.15 1.66 -0.01 0.00 -0.74 0.00 0.00 36.82 37.88 3g1u h ILE 139 CO -0.01 0.20 -1.05 0.44 0.00 0.00 0.00 178.15 177.73 3g1u h ASP 140 N -0.46 0.32 -0.01 1.72 3.32 -1.16 -3.39 116.42 116.77 3g1u h ASP 140 Ca -0.01 -0.30 0.00 0.00 0.02 0.00 0.00 57.03 56.74 3g1u h ASP 140 Cb 0.40 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 39.85 3g1u h ASP 140 CO 0.02 1.17 0.00 0.54 -1.72 0.00 0.00 179.24 179.25 3g1u n ARG 141 N -3.57 -0.53 -3.05 3.56 1.74 0.30 -4.74 116.66 110.38 3g1u n ARG 141 Ca -0.05 -0.67 -0.18 0.00 -0.77 0.00 0.00 57.85 56.18 3g1u n ARG 141 Cb 0.92 -1.04 -0.02 0.00 -1.02 0.00 0.00 32.46 31.30 3g1u n ARG 141 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 3g1u n TYR 142 N 0.08 0.85 -0.15 -1.55 4.01 -0.68 -4.97 117.16 114.75 3g1u n TYR 142 Ca 0.01 -3.63 0.14 0.00 -0.16 0.00 0.00 57.90 54.26 3g1u n TYR 142 Cb 0.06 -0.41 0.50 0.00 -0.31 0.00 0.00 39.34 39.18 3g1u n TYR 142 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 3g1u h PRO 143 N 2.99 0.41 0.00 -0.72 0.13 -1.75 0.11 132.00 133.17 3g1u h PRO 143 Ca 0.07 -0.02 -0.02 0.00 -0.87 0.00 0.00 66.00 65.16 3g1u h PRO 143 Cb 0.96 -0.09 -0.00 0.00 0.13 0.00 0.00 31.00 31.99 3g1u h PRO 143 CO 0.54 0.27 -0.10 0.93 -0.23 0.00 0.00 178.00 179.42 3g1u h GLU 144 N 0.42 0.00 0.08 0.86 5.08 -1.93 -3.06 114.58 116.03 3g1u h GLU 144 Ca 0.35 0.00 -0.26 0.00 -1.00 0.00 0.00 59.36 58.45 3g1u h GLU 144 Cb 0.76 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.99 3g1u h GLU 144 CO -0.11 0.10 -1.24 1.25 -1.00 0.00 0.00 179.01 178.01 3g1u h LEU 145 N 0.00 0.25 -0.79 1.33 5.85 -1.10 -3.39 115.31 117.47 3g1u h LEU 145 Ca -0.00 -0.29 0.15 0.00 0.84 0.00 0.00 57.88 58.58 3g1u h LEU 145 Cb 0.20 -0.08 -0.15 0.00 0.37 0.00 0.00 40.66 41.00 3g1u h LEU 145 CO 0.01 1.23 -0.24 0.58 -0.34 0.00 0.00 178.44 179.68 3g1u h VAL 146 N 0.04 0.17 0.00 1.05 2.07 -1.42 0.22 116.25 118.38 3g1u h VAL 146 Ca -0.12 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.40 3g1u h VAL 146 Cb 1.92 0.17 0.00 0.00 -1.52 0.00 0.00 31.29 31.85 3g1u h VAL 146 CO 0.17 0.00 0.00 -0.65 0.02 0.00 0.00 177.57 177.11 3g1u h PRO 147 N -0.03 0.00 0.00 1.57 0.11 -1.77 -2.83 132.00 129.05 3g1u h PRO 147 Ca 0.36 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.47 3g1u h PRO 147 Cb 0.58 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.69 3g1u h PRO 147 CO -0.82 0.00 -0.20 1.63 -0.21 0.00 0.00 178.00 178.40 3g1u n LYS 148 N -2.51 0.16 -3.27 1.05 4.01 0.77 -4.84 118.16 113.53 3g1u n LYS 148 Ca 0.00 0.10 -0.39 0.00 -0.51 0.00 0.00 58.31 57.50 3g1u n LYS 148 Cb 0.18 -1.65 -0.08 0.00 -0.51 0.00 0.00 35.03 32.98 3g1u n LYS 148 CO 0.00 0.00 0.00 0.42 -1.11 0.00 0.00 177.40 176.71 3g1u s ILE 149 N -3.07 5.10 -0.36 -0.18 1.09 -1.07 -4.35 121.20 118.36 3g1u s ILE 149 Ca 0.11 0.84 0.23 0.00 -1.10 0.00 0.00 60.65 60.73 3g1u s ILE 149 Cb 0.15 -3.81 0.14 0.00 -1.06 0.00 0.00 42.46 37.88 3g1u s ILE 149 CO 0.62 0.13 1.30 -0.26 -0.10 0.00 0.00 174.94 176.62 3g1u h PHE 150 N 7.85 0.00 -1.65 3.97 0.04 -0.71 -3.47 116.94 122.98 3g1u h PHE 150 Ca -0.31 0.00 0.26 0.00 2.80 0.00 0.00 57.97 60.72 3g1u h PHE 150 Cb 1.15 0.00 -0.15 0.00 2.20 0.00 0.00 35.95 39.15 3g1u h PHE 150 CO 0.74 0.00 0.75 0.20 -0.60 0.00 0.00 178.31 179.39 3g1u s GLY 151 N -4.22 -0.35 -0.05 -1.45 0.00 -1.26 -4.73 107.32 95.26 3g1u s GLY 151 Ca 0.03 1.06 0.05 0.00 0.00 0.00 0.00 44.72 45.87 3g1u s GLY 151 CO 0.73 0.31 -0.21 -0.42 0.00 0.00 0.00 173.10 173.51 3g1u s ILE 152 N -2.59 1.73 -0.08 0.90 1.01 -0.62 -1.50 121.20 120.05 3g1u s ILE 152 Ca 0.11 -0.89 0.03 0.00 0.00 0.00 0.00 60.65 59.90 3g1u s ILE 152 Cb 0.01 -1.47 -0.02 0.00 0.01 0.00 0.00 42.46 40.99 3g1u s ILE 152 CO -0.04 0.49 -0.16 -0.94 0.00 0.00 0.00 174.94 174.29 3g1u s SER 153 N -0.12 3.87 -0.12 3.58 1.04 -0.45 -0.62 113.70 120.88 3g1u s SER 153 Ca -0.02 -0.29 0.01 0.00 0.48 0.00 0.00 55.95 56.13 3g1u s SER 153 Cb -0.12 -1.08 0.02 0.00 0.10 0.00 0.00 66.02 64.94 3g1u s SER 153 CO 0.02 0.27 -0.13 -0.70 0.98 0.00 0.00 173.24 173.69 3g1u s GLU 154 N -0.31 2.04 0.20 4.02 2.56 -1.03 -0.48 118.70 125.70 3g1u s GLU 154 Ca 0.02 -0.47 0.01 0.00 0.00 0.00 0.00 54.97 54.53 3g1u s GLU 154 Cb -0.13 -1.86 0.13 0.00 2.00 0.00 0.00 34.13 34.26 3g1u s GLU 154 CO 0.03 -0.18 1.48 1.49 -0.56 0.00 0.00 175.26 177.52 3g1u h GLU 155 N 7.82 0.33 -5.15 4.30 4.57 -1.78 -2.32 114.58 122.35 3g1u h GLU 155 Ca -0.34 -0.26 -0.36 0.00 -1.18 0.00 0.00 59.36 57.23 3g1u h GLU 155 Cb 1.15 0.05 -0.19 0.00 -0.16 0.00 0.00 28.75 29.60 3g1u h GLU 155 CO 0.48 0.89 -0.75 -0.08 -1.18 0.00 0.00 179.01 178.38 3g1u s THR 156 N -3.65 1.07 0.15 0.32 -1.32 -1.26 -3.49 115.64 107.46 3g1u s THR 156 Ca -0.05 -1.58 -0.22 0.00 -1.21 0.00 0.00 61.69 58.63 3g1u s THR 156 Cb 0.11 -1.33 0.02 0.00 -1.51 0.00 0.00 72.50 69.80 3g1u s THR 156 CO 0.82 -0.45 1.64 0.74 -2.21 0.00 0.00 174.62 175.16 3g1u h THR 157 N 3.72 0.45 -0.53 5.08 2.02 -1.95 0.13 112.91 121.83 3g1u h THR 157 Ca -0.39 0.00 0.10 0.00 0.77 0.00 0.00 66.41 66.89 3g1u h THR 157 Cb 1.19 0.45 -0.08 0.00 -1.74 0.00 0.00 68.15 67.97 3g1u h THR 157 CO 0.49 0.00 0.08 0.74 0.37 0.00 0.00 175.52 177.20 3g1u h THR 158 N -0.22 0.66 -0.77 3.16 2.02 -1.94 0.12 112.91 115.95 3g1u h THR 158 Ca 0.13 -0.07 -0.03 0.00 0.77 0.00 0.00 66.41 67.21 3g1u h THR 158 Cb 0.42 0.44 -0.04 0.00 -1.74 0.00 0.00 68.15 67.23 3g1u h THR 158 CO -0.36 0.04 0.35 1.23 0.37 0.00 0.00 175.52 177.15 3g1u h GLY 159 N 0.21 1.18 0.88 2.16 0.00 -1.46 -1.61 103.07 104.43 3g1u h GLY 159 Ca 0.27 -0.59 -0.04 0.00 0.00 0.00 0.00 47.33 46.97 3g1u h GLY 159 CO -0.38 0.56 0.03 -2.08 0.00 0.00 0.00 176.54 174.67 3g1u h VAL 160 N 1.09 1.24 -0.88 4.60 2.07 0.33 -2.02 116.25 122.69 3g1u h VAL 160 Ca 0.26 -0.85 0.03 0.00 0.82 0.00 0.00 66.70 66.96 3g1u h VAL 160 Cb 0.13 1.24 -0.05 0.00 -1.52 0.00 0.00 31.29 31.09 3g1u h VAL 160 CO -0.03 0.27 0.58 0.11 0.02 0.00 0.00 177.57 178.52 3g1u h LYS 161 N 0.29 1.08 -0.95 1.57 1.57 -0.87 -2.14 116.57 117.13 3g1u h LYS 161 Ca 0.08 -0.07 -0.00 0.00 -1.87 0.00 0.00 60.65 58.80 3g1u h LYS 161 Cb 0.37 -0.24 -0.05 0.00 0.08 0.00 0.00 32.23 32.39 3g1u h LYS 161 CO 0.01 0.72 0.59 -0.97 -0.57 0.00 0.00 179.45 179.22 3g1u h ASN 162 N 1.11 1.13 -0.20 0.86 -1.24 -1.03 -0.64 115.58 115.57 3g1u h ASN 162 Ca 0.35 -0.06 -0.01 0.00 0.71 0.00 0.00 56.30 57.29 3g1u h ASN 162 Cb -0.00 -0.28 -0.01 0.00 0.73 0.00 0.00 38.32 38.76 3g1u h ASN 162 CO -0.10 0.85 0.08 -0.07 -1.29 0.00 0.00 177.43 176.91 3g1u h LEU 163 N 1.30 0.27 -0.96 0.34 3.38 -0.81 -1.78 115.31 117.06 3g1u h LEU 163 Ca 0.34 -0.15 -0.10 0.00 0.09 0.00 0.00 57.88 58.06 3g1u h LEU 163 Cb -0.08 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.59 3g1u h LEU 163 CO -0.07 0.35 -0.35 1.88 0.09 0.00 0.00 178.44 180.34 3g1u h TYR 164 N 0.17 0.37 0.22 1.13 0.05 -1.26 -0.79 116.97 116.85 3g1u h TYR 164 Ca 0.07 -0.09 -0.01 0.00 0.05 0.00 0.00 58.73 58.75 3g1u h TYR 164 Cb 0.16 -0.09 0.00 0.00 1.01 0.00 0.00 36.73 37.82 3g1u h TYR 164 CO -0.02 0.64 -0.11 -0.22 -1.05 0.00 0.00 178.16 177.41 3g1u h LYS 165 N 0.27 -0.28 -0.55 4.88 3.64 -1.02 -1.65 116.57 121.86 3g1u h LYS 165 Ca 0.03 0.02 0.06 0.00 -1.27 0.00 0.00 60.65 59.49 3g1u h LYS 165 Cb 0.75 0.06 -0.05 0.00 -0.41 0.00 0.00 32.23 32.59 3g1u h LYS 165 CO 0.06 -0.11 0.27 0.00 -2.27 0.00 0.00 179.45 177.40 3g1u h ARG 166 N -0.40 0.50 -0.17 1.90 3.08 -1.18 -2.59 114.38 115.52 3g1u h ARG 166 Ca -0.03 -0.03 0.04 0.00 0.07 0.00 0.00 59.98 60.03 3g1u h ARG 166 Cb 0.31 -0.11 -0.04 0.00 0.08 0.00 0.00 29.97 30.21 3g1u h ARG 166 CO 0.05 0.33 -0.07 1.25 -1.07 0.00 0.00 179.97 180.47 3g1u h LEU 167 N 0.52 -0.22 -2.49 3.04 5.85 -1.08 0.40 115.31 121.33 3g1u h LEU 167 Ca 0.25 0.06 0.00 0.00 0.84 0.00 0.00 57.88 59.03 3g1u h LEU 167 Cb 0.19 0.13 0.00 0.00 0.37 0.00 0.00 40.66 41.35 3g1u h LEU 167 CO -0.19 -0.09 0.00 0.77 -0.34 0.00 0.00 178.44 178.59 3g1u h SER 168 N -0.04 0.00 -0.48 1.25 4.64 -0.93 0.08 113.55 118.07 3g1u h SER 168 Ca 0.09 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.41 3g1u h SER 168 Cb 0.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.26 3g1u h SER 168 CO -0.20 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.05 3g1u n LYS 169 N -3.02 2.55 -1.31 4.77 5.02 -0.88 -4.95 118.16 120.35 3g1u n LYS 169 Ca -0.02 -2.37 -0.11 0.00 -2.02 0.00 0.00 58.31 53.79 3g1u n LYS 169 Cb 0.13 -1.51 -0.05 0.00 -0.02 0.00 0.00 35.03 33.58 3g1u n LYS 169 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3g1u n GLY 170 N 1.48 1.16 1.72 0.72 0.00 0.01 -4.92 105.19 105.36 3g1u n GLY 170 Ca 0.20 -0.32 0.08 0.00 0.00 0.00 0.00 46.02 45.98 3g1u n GLY 170 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3g1u n ASN 171 N -0.26 5.16 -4.23 1.61 3.02 0.14 -4.80 115.26 115.89 3g1u n ASN 171 Ca -0.11 -2.70 -0.42 0.00 -0.03 0.00 0.00 54.58 51.33 3g1u n ASN 171 Cb 0.41 -0.64 -0.08 0.00 -0.61 0.00 0.00 39.78 38.87 3g1u n ASN 171 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 3g1u s LEU 172 N -2.28 5.80 0.00 3.41 2.96 -1.18 -4.79 118.68 122.59 3g1u s LEU 172 Ca 0.51 -1.93 0.26 0.00 -0.22 0.00 0.00 54.13 52.75 3g1u s LEU 172 Cb 0.36 -2.05 0.68 0.00 0.50 0.00 0.00 46.19 45.68 3g1u s LEU 172 CO 0.19 -0.71 1.53 -0.81 -1.32 0.00 0.00 176.35 175.22 3g1u n PRO 173 N 4.92 1.69 -4.66 0.98 -0.04 -1.26 -4.41 135.00 132.21 3g1u n PRO 173 Ca -0.08 -1.17 -0.25 0.00 -0.04 0.00 0.00 63.50 61.96 3g1u n PRO 173 Cb 0.41 -1.48 -0.16 0.00 -0.04 0.00 0.00 33.50 32.23 3g1u n PRO 173 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 3g1u s ILE 174 N -2.12 1.23 0.39 0.52 1.01 -1.26 -0.86 121.20 120.12 3g1u s ILE 174 Ca 0.31 -0.55 -0.24 0.00 0.00 0.00 0.00 60.65 60.17 3g1u s ILE 174 Cb 0.20 -1.10 -0.09 0.00 0.01 0.00 0.00 42.46 41.48 3g1u s ILE 174 CO 0.37 0.37 1.04 -0.44 0.00 0.00 0.00 174.94 176.29 3g1u s SER 175 N 0.47 6.82 0.06 3.58 0.01 -1.24 -4.67 113.70 118.73 3g1u s SER 175 Ca -0.12 2.03 0.06 0.00 1.31 0.00 0.00 55.95 59.23 3g1u s SER 175 Cb -0.14 -2.59 -0.03 0.00 0.21 0.00 0.00 66.02 63.47 3g1u s SER 175 CO 0.04 -0.45 -0.16 0.00 0.41 0.00 0.00 173.24 173.07 3g1u s ALA 176 N -1.65 1.37 -0.26 1.44 0.00 0.34 -1.59 121.76 121.41 3g1u s ALA 176 Ca 0.57 -0.97 -0.10 0.00 0.00 0.00 0.00 51.96 51.46 3g1u s ALA 176 Cb -0.22 -0.20 -0.05 0.00 0.00 0.00 0.00 23.12 22.65 3g1u s ALA 176 CO 0.28 0.26 0.16 0.42 0.00 0.00 0.00 175.76 176.88 3g1u s ILE 177 N -0.98 5.19 -0.64 0.00 1.01 0.21 0.57 121.20 126.56 3g1u s ILE 177 Ca 0.03 0.13 -0.28 0.00 0.00 0.00 0.00 60.65 60.53 3g1u s ILE 177 Cb -0.09 -3.45 0.02 0.00 0.01 0.00 0.00 42.46 38.96 3g1u s ILE 177 CO 0.02 0.30 1.31 0.21 0.00 0.00 0.00 174.94 176.78 3g1u s ASN 178 N 1.49 6.21 -0.08 3.58 3.84 0.24 -2.46 114.94 127.75 3g1u s ASN 178 Ca 0.07 -0.05 0.07 0.00 0.21 0.00 0.00 52.86 53.16 3g1u s ASN 178 Cb -0.15 -2.55 -0.24 0.00 -0.55 0.00 0.00 41.25 37.76 3g1u s ASN 178 CO 0.08 -1.72 0.53 0.52 -2.79 0.00 0.00 177.10 173.72 3g1u n VAL 179 N 6.63 1.65 -0.34 -5.21 0.31 -0.89 -4.21 118.33 116.26 3g1u n VAL 179 Ca 0.08 -0.76 0.24 0.00 -0.01 0.00 0.00 64.34 63.90 3g1u n VAL 179 Cb 0.49 -1.21 0.48 0.00 -0.91 0.00 0.00 33.84 32.70 3g1u n VAL 179 CO 0.00 0.00 0.00 -1.13 -1.32 0.00 0.00 176.83 174.38 3g1u h ASN 180 N 0.02 0.51 -3.56 4.52 -1.24 -1.55 -3.49 115.58 110.80 3g1u h ASN 180 Ca -0.34 0.18 -0.67 0.00 0.71 0.00 0.00 56.30 56.17 3g1u h ASN 180 Cb 2.03 0.12 -0.28 0.00 0.73 0.00 0.00 38.32 40.93 3g1u h ASN 180 CO 0.08 -0.11 -0.67 -1.81 -1.29 0.00 0.00 177.43 173.63 3g1u s ASP 181 N -4.91 4.80 -0.32 1.15 1.01 -1.26 -5.00 116.67 112.13 3g1u s ASP 181 Ca -0.10 -0.69 -0.20 0.00 0.71 0.00 0.00 52.55 52.28 3g1u s ASP 181 Cb 0.30 -1.81 -0.01 0.00 1.01 0.00 0.00 42.92 42.42 3g1u s ASP 181 CO 0.79 -0.14 0.60 -0.36 0.21 0.00 0.00 175.17 176.27 3g1u s PHE 188 N 1.45 3.19 0.00 4.23 0.08 -1.26 -5.08 117.98 120.59 3g1u s PHE 188 Ca 0.02 0.44 0.00 0.00 0.12 0.00 0.00 56.93 57.52 3g1u s PHE 188 Cb -0.17 -3.00 0.00 0.00 -0.57 0.00 0.00 43.02 39.28 3g1u s PHE 188 CO -0.00 -0.52 0.00 -0.25 -0.10 0.00 0.00 175.22 174.35 3g1u n ASP 189 N 5.88 2.66 0.16 1.36 8.00 -1.26 -4.64 116.55 128.70 3g1u n ASP 189 Ca -0.02 0.00 0.14 0.00 0.71 0.00 0.00 54.79 55.62 3g1u n ASP 189 Cb 0.49 0.01 0.69 0.00 -0.02 0.00 0.00 41.12 42.28 3g1u n ASP 189 CO 0.00 0.00 0.00 0.78 -0.39 0.00 0.00 177.20 177.59 3g1u h ASN 190 N 0.00 0.00 0.34 -2.24 2.35 -1.96 0.20 115.58 114.27 3g1u h ASN 190 Ca 0.00 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.73 3g1u h ASN 190 Cb 0.66 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.04 3g1u h ASN 190 CO 0.00 0.00 -0.16 0.25 -1.65 0.00 0.00 177.43 175.87 3g1u h LEU 191 N 0.00 -0.39 -1.28 1.61 6.46 -1.84 -2.50 115.31 117.37 3g1u h LEU 191 Ca 0.10 -0.16 -0.01 0.00 -0.12 0.00 0.00 57.88 57.69 3g1u h LEU 191 Cb 0.43 0.10 -0.03 0.00 -0.73 0.00 0.00 40.66 40.44 3g1u h LEU 191 CO -0.00 0.03 0.32 1.88 -0.62 0.00 0.00 178.44 180.05 3g1u h TYR 192 N -0.89 0.79 -0.20 1.25 0.05 -1.75 -1.97 116.97 114.25 3g1u h TYR 192 Ca -0.05 -0.01 -0.03 0.00 0.05 0.00 0.00 58.73 58.69 3g1u h TYR 192 Cb 0.53 -0.26 -0.01 0.00 1.01 0.00 0.00 36.73 38.01 3g1u h TYR 192 CO 0.03 0.56 -0.01 0.78 -1.05 0.00 0.00 178.16 178.46 3g1u h GLY 193 N 0.88 0.39 1.87 3.88 0.00 -1.00 -3.11 103.07 105.97 3g1u h GLY 193 Ca 0.21 -0.29 -0.16 0.00 0.00 0.00 0.00 47.33 47.09 3g1u h GLY 193 CO -0.03 0.27 -0.71 0.00 0.00 0.00 0.00 176.54 176.07 3g1u h ARG 195 N 0.09 0.00 0.00 0.00 2.43 -1.34 -1.42 114.38 114.13 3g1u h ARG 195 Ca -0.02 0.00 -0.23 0.00 -0.81 0.00 0.00 59.98 58.92 3g1u h ARG 195 Cb 1.26 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 30.76 3g1u h ARG 195 CO 0.10 0.03 -2.21 0.39 -1.51 0.00 0.00 179.97 176.77 3g1u n GLU 196 N -4.17 0.75 -0.01 0.20 1.02 -0.96 -4.53 120.64 112.94 3g1u n GLU 196 Ca -0.03 -0.07 0.10 0.00 -0.02 0.00 0.00 57.16 57.14 3g1u n GLU 196 Cb 0.11 -1.50 -0.15 0.00 -0.02 0.00 0.00 31.44 29.88 3g1u n GLU 196 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 3g1u n SER 197 N -2.55 0.42 -0.04 1.62 3.41 -0.23 -3.77 113.62 112.48 3g1u n SER 197 Ca -0.22 -0.22 -0.12 0.00 -0.26 0.00 0.00 58.87 58.05 3g1u n SER 197 Cb 0.93 1.73 -0.06 0.00 -0.26 0.00 0.00 64.21 66.56 3g1u n SER 197 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 3g1u h LEU 198 N 0.00 0.24 -0.43 1.04 5.85 -1.51 -2.32 115.31 118.18 3g1u h LEU 198 Ca 0.00 -0.28 -0.13 0.00 0.84 0.00 0.00 57.88 58.31 3g1u h LEU 198 Cb 0.84 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.80 3g1u h LEU 198 CO 0.00 0.46 -0.23 0.58 -0.34 0.00 0.00 178.44 178.91 3g1u h VAL 199 N 0.01 1.27 -0.64 1.05 2.07 -1.79 -2.32 116.25 115.90 3g1u h VAL 199 Ca 0.04 -1.39 0.13 0.00 0.82 0.00 0.00 66.70 66.31 3g1u h VAL 199 Cb 0.33 1.24 -0.10 0.00 -1.52 0.00 0.00 31.29 31.23 3g1u h VAL 199 CO 0.00 0.47 0.04 -0.78 0.02 0.00 0.00 177.57 177.32 3g1u h ASP 200 N 0.75 -0.21 -0.26 0.57 3.58 -1.64 0.10 116.42 119.30 3g1u h ASP 200 Ca 0.09 0.15 -0.04 0.00 0.42 0.00 0.00 57.03 57.66 3g1u h ASP 200 Cb 0.80 0.25 -0.01 0.00 1.72 0.00 0.00 39.33 42.10 3g1u h ASP 200 CO 0.07 -0.10 0.03 1.23 -2.88 0.00 0.00 179.24 177.59 3g1u h GLY 201 N 0.15 0.48 1.00 -0.78 0.00 -1.25 -1.49 103.07 101.17 3g1u h GLY 201 Ca 0.34 -0.33 0.00 0.00 0.00 0.00 0.00 47.33 47.34 3g1u h GLY 201 CO -0.52 0.31 0.16 -2.22 0.00 0.00 0.00 176.54 174.26 3g1u h ILE 202 N 0.24 1.07 -0.36 2.60 2.04 -1.01 -2.37 117.51 119.72 3g1u h ILE 202 Ca 0.08 -0.14 -0.07 0.00 1.00 0.00 0.00 64.86 65.73 3g1u h ILE 202 Cb 0.37 0.72 -0.01 0.00 -0.74 0.00 0.00 36.82 37.16 3g1u h ILE 202 CO 0.01 0.07 -0.03 0.11 0.00 0.00 0.00 178.15 178.31 3g1u h LYS 203 N 0.33 0.66 -0.75 2.37 1.57 -0.79 -0.05 116.57 119.91 3g1u h LYS 203 Ca 0.09 -0.22 -0.01 0.00 -1.87 0.00 0.00 60.65 58.64 3g1u h LYS 203 Cb -0.03 -0.05 -0.04 0.00 0.08 0.00 0.00 32.23 32.20 3g1u h LYS 203 CO -0.02 0.79 0.44 0.00 -0.57 0.00 0.00 179.45 180.09 3g1u h ARG 204 N 0.46 1.01 -0.12 3.15 3.08 -1.29 0.26 114.38 120.93 3g1u h ARG 204 Ca 0.10 -0.09 -0.03 0.00 0.07 0.00 0.00 59.98 60.03 3g1u h ARG 204 Cb 0.51 -0.21 -0.00 0.00 0.08 0.00 0.00 29.97 30.34 3g1u h ARG 204 CO 0.02 0.72 -0.04 0.00 -1.07 0.00 0.00 179.97 179.60 3g1u h ALA 205 N 1.46 0.17 0.00 0.04 0.00 -1.24 -3.42 119.26 116.27 3g1u h ALA 205 Ca 0.27 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3g1u h ALA 205 Cb -0.03 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.72 3g1u h ALA 205 CO -0.05 -0.07 -0.63 0.25 0.00 0.00 0.00 179.25 178.76 3g1u n THR 206 N -4.71 0.00 -1.30 0.00 -2.24 -0.05 -4.97 114.28 101.01 3g1u n THR 206 Ca -0.06 -0.07 -0.12 0.00 -2.27 0.00 0.00 64.05 61.53 3g1u n THR 206 Cb 0.26 0.50 -0.05 0.00 -2.10 0.00 0.00 70.33 68.94 3g1u n THR 206 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3g1u n ASP 207 N -1.08 -4.44 -4.77 3.42 8.00 0.89 -4.94 116.55 113.62 3g1u n ASP 207 Ca 0.00 0.30 -0.35 0.00 0.71 0.00 0.00 54.79 55.45 3g1u n ASP 207 Cb 0.00 -3.65 0.01 0.00 -0.02 0.00 0.00 41.12 37.45 3g1u n ASP 207 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3g1u s VAL 208 N -1.97 3.09 0.16 2.53 0.11 -1.26 -4.99 120.40 118.07 3g1u s VAL 208 Ca 0.00 0.69 -0.30 0.00 -2.93 0.00 0.00 61.98 59.44 3g1u s VAL 208 Cb 0.00 -3.28 -0.07 0.00 -1.53 0.00 0.00 36.38 31.50 3g1u s VAL 208 CO 0.00 -0.14 1.08 -0.32 -3.33 0.00 0.00 175.10 172.39 3g1u s MET 209 N -3.26 4.61 -0.16 1.54 1.75 -1.26 -4.84 119.30 117.68 3g1u s MET 209 Ca 0.73 1.67 -0.19 0.00 -1.25 0.00 0.00 55.69 56.65 3g1u s MET 209 Cb -0.25 -3.30 -0.23 0.00 2.84 0.00 0.00 34.83 33.89 3g1u s MET 209 CO 0.28 0.09 0.39 0.82 -0.65 0.00 0.00 175.02 175.95 3g1u h ILE 210 N 3.80 1.00 -2.41 10.11 1.08 -1.94 -3.44 117.51 125.70 3g1u h ILE 210 Ca -0.44 -2.28 -0.61 0.00 -0.39 0.00 0.00 64.86 61.14 3g1u h ILE 210 Cb 1.21 2.52 0.09 0.00 -3.07 0.00 0.00 36.82 37.57 3g1u h ILE 210 CO 0.73 0.53 0.34 0.00 -0.69 0.00 0.00 178.15 179.05 3g1u n ALA 211 N -3.15 0.08 0.00 1.87 0.00 -0.90 -1.71 120.51 116.69 3g1u n ALA 211 Ca -0.28 0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.58 3g1u n ALA 211 Cb 0.77 -2.11 0.00 0.00 0.00 0.00 0.00 19.45 18.11 3g1u n ALA 211 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3g1u n GLY 212 N 1.71 2.31 3.86 0.00 0.00 -0.44 -4.90 105.19 107.73 3g1u n GLY 212 Ca 0.12 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.82 3g1u n GLY 212 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3g1u s LYS 213 N -0.37 3.89 -0.22 1.61 -0.14 -0.69 -4.85 119.74 118.97 3g1u s LYS 213 Ca 0.00 0.68 -0.12 0.00 -1.36 0.00 0.00 55.97 55.17 3g1u s LYS 213 Cb 0.00 -2.31 -0.05 0.00 -1.68 0.00 0.00 37.83 33.79 3g1u s LYS 213 CO 0.00 -0.07 0.21 0.99 -0.76 0.00 0.00 175.35 175.73 3g1u s THR 214 N -2.36 5.33 -0.05 2.17 2.01 -1.26 0.00 115.64 121.48 3g1u s THR 214 Ca 0.55 0.32 0.06 0.00 0.31 0.00 0.00 61.69 62.92 3g1u s THR 214 Cb -0.10 -3.55 -0.01 0.00 0.01 0.00 0.00 72.50 68.85 3g1u s THR 214 CO 0.28 0.34 -0.23 0.00 -0.69 0.00 0.00 174.62 174.32 3g1u s VAL 217 N 1.51 4.05 -0.34 0.00 1.01 -0.06 -0.48 120.40 126.09 3g1u s VAL 217 Ca 0.01 -0.52 -0.16 0.00 0.00 0.00 0.00 61.98 61.31 3g1u s VAL 217 Cb -0.19 -3.01 -0.01 0.00 0.00 0.00 0.00 36.38 33.17 3g1u s VAL 217 CO 0.05 0.18 0.42 0.00 0.00 0.00 0.00 175.10 175.75 3g1u n GLY 219 N 4.87 1.96 2.69 0.00 0.00 0.87 -0.67 105.19 114.92 3g1u n GLY 219 Ca -0.07 -1.61 -0.05 0.00 0.00 0.00 0.00 46.02 44.28 3g1u n GLY 219 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 3g1u n TYR 220 N 1.89 1.51 -0.33 1.61 4.19 -1.26 -4.35 117.16 120.41 3g1u n TYR 220 Ca 0.00 -2.24 0.00 0.00 3.31 0.00 0.00 57.90 58.97 3g1u n TYR 220 Cb 0.00 -0.26 0.00 0.00 0.49 0.00 0.00 39.34 39.57 3g1u n TYR 220 CO 0.00 0.00 0.00 0.41 0.91 0.00 0.00 176.86 178.18 3g1u n GLY 221 N -0.55 -1.46 0.36 2.98 0.00 -1.26 -4.56 105.19 100.69 3g1u n GLY 221 Ca 0.13 -1.55 0.11 0.00 0.00 0.00 0.00 46.02 44.70 3g1u n GLY 221 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3g1u h ASP 222 N -0.17 0.48 -0.04 1.61 3.32 -1.96 -1.01 116.42 118.65 3g1u h ASP 222 Ca 0.00 0.01 -0.02 0.00 0.02 0.00 0.00 57.03 57.05 3g1u h ASP 222 Cb 0.00 -0.09 -0.00 0.00 0.22 0.00 0.00 39.33 39.46 3g1u h ASP 222 CO 0.00 0.29 -0.04 0.58 -1.72 0.00 0.00 179.24 178.35 3g1u h VAL 223 N 0.53 1.38 -0.92 -1.35 2.07 -1.89 -2.42 116.25 113.65 3g1u h VAL 223 Ca 0.31 -1.20 0.01 0.00 0.82 0.00 0.00 66.70 66.64 3g1u h VAL 223 Cb 0.51 2.11 -0.05 0.00 -1.52 0.00 0.00 31.29 32.34 3g1u h VAL 223 CO -0.10 0.32 0.61 1.23 0.02 0.00 0.00 177.57 179.65 3g1u h GLY 224 N -0.37 1.29 0.99 2.17 0.00 -1.71 -0.23 103.07 105.21 3g1u h GLY 224 Ca 0.01 -0.48 0.00 0.00 0.00 0.00 0.00 47.33 46.86 3g1u h GLY 224 CO 0.01 0.47 0.30 0.50 0.00 0.00 0.00 176.54 177.82 3g1u h LYS 225 N 1.24 0.64 -0.55 4.80 1.57 -1.15 0.68 116.57 123.80 3g1u h LYS 225 Ca 0.34 -0.05 -0.11 0.00 -1.87 0.00 0.00 60.65 58.96 3g1u h LYS 225 Cb -0.14 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.01 3g1u h LYS 225 CO -0.07 0.45 -0.07 0.78 -0.57 0.00 0.00 179.45 179.97 3g1u h GLY 226 N 0.64 1.10 0.72 3.86 0.00 -1.13 -1.45 103.07 106.80 3g1u h GLY 226 Ca 0.17 -0.85 -0.01 0.00 0.00 0.00 0.00 47.33 46.65 3g1u h GLY 226 CO -0.03 0.78 0.00 0.00 0.00 0.00 0.00 176.54 177.28 3g1u h ALA 228 N 0.72 1.12 -0.47 0.00 0.00 -0.89 -1.84 119.26 117.90 3g1u h ALA 228 Ca 0.01 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.79 3g1u h ALA 228 Cb 0.32 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 3g1u h ALA 228 CO 0.00 0.25 -0.19 0.00 0.00 0.00 0.00 179.25 179.31 3g1u h ALA 229 N 1.39 0.78 0.22 0.00 0.00 -1.09 -0.96 119.26 119.60 3g1u h ALA 229 Ca 0.36 -0.38 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 3g1u h ALA 229 Cb 0.16 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 3g1u h ALA 229 CO -0.17 0.66 -0.15 0.00 0.00 0.00 0.00 179.25 179.59 3g1u h ALA 230 N 0.96 -0.35 -0.35 0.00 0.00 -0.87 -0.43 119.26 118.22 3g1u h ALA 230 Ca 0.11 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.91 3g1u h ALA 230 Cb 0.75 0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 3g1u h ALA 230 CO 0.06 -0.71 0.04 -0.07 0.00 0.00 0.00 179.25 178.57 3g1u h LEU 231 N -0.37 0.57 -0.83 0.00 3.38 -1.22 -2.70 115.31 114.14 3g1u h LEU 231 Ca -0.02 -0.28 0.07 0.00 0.09 0.00 0.00 57.88 57.74 3g1u h LEU 231 Cb 0.31 -0.15 -0.06 0.00 0.09 0.00 0.00 40.66 40.85 3g1u h LEU 231 CO 0.01 0.70 0.50 -0.09 0.09 0.00 0.00 178.44 179.65 3g1u h ARG 232 N 0.41 0.87 -0.82 1.13 2.43 -1.17 -1.48 114.38 115.76 3g1u h ARG 232 Ca 0.10 -0.05 0.07 0.00 -0.81 0.00 0.00 59.98 59.29 3g1u h ARG 232 Cb 0.39 -0.20 -0.05 0.00 -0.42 0.00 0.00 29.97 29.69 3g1u h ARG 232 CO 0.01 0.57 0.53 0.00 -1.51 0.00 0.00 179.97 179.58 3g1u h ALA 233 N 1.41 1.62 -0.09 2.80 0.00 -0.74 -1.25 119.26 123.01 3g1u h ALA 233 Ca 0.37 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.26 3g1u h ALA 233 Cb 0.22 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.78 3g1u h ALA 233 CO -0.19 0.25 0.00 1.19 0.00 0.00 0.00 179.25 180.50 3g1u n PHE 234 N -4.49 0.12 -1.08 0.00 3.72 -1.04 -4.89 117.46 109.80 3g1u n PHE 234 Ca 0.12 -0.06 0.00 0.00 -0.05 0.00 0.00 57.45 57.46 3g1u n PHE 234 Cb 0.23 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.77 3g1u n PHE 234 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3g1u n GLY 235 N 0.90 0.88 3.88 1.37 0.00 -0.47 -2.13 105.19 109.62 3g1u n GLY 235 Ca 0.13 -0.59 -0.29 0.00 0.00 0.00 0.00 46.02 45.26 3g1u n GLY 235 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3g1u s ALA 236 N -2.00 3.31 -0.34 4.61 0.00 -0.58 -1.33 121.76 125.43 3g1u s ALA 236 Ca 0.00 -0.28 -0.13 0.00 0.00 0.00 0.00 51.96 51.55 3g1u s ALA 236 Cb 0.00 -2.75 -0.02 0.00 0.00 0.00 0.00 23.12 20.35 3g1u s ALA 236 CO 0.00 -0.28 0.24 0.50 0.00 0.00 0.00 175.76 176.22 3g1u s ARG 237 N -4.46 3.52 -0.24 0.00 3.52 0.10 -4.32 118.95 117.07 3g1u s ARG 237 Ca 0.51 -0.63 -0.10 0.00 -0.13 0.00 0.00 55.73 55.38 3g1u s ARG 237 Cb -0.10 -3.80 -0.05 0.00 -1.56 0.00 0.00 34.95 29.44 3g1u s ARG 237 CO 0.41 -0.43 0.16 0.08 -0.81 0.00 0.00 175.30 174.71 3g1u s VAL 238 N 1.73 5.33 -0.15 7.11 1.01 -1.26 -0.02 120.40 134.15 3g1u s VAL 238 Ca 0.06 0.17 -0.04 0.00 0.00 0.00 0.00 61.98 62.17 3g1u s VAL 238 Cb -0.17 -3.49 -0.03 0.00 0.00 0.00 0.00 36.38 32.68 3g1u s VAL 238 CO 0.11 0.34 0.00 -0.69 0.00 0.00 0.00 175.10 174.85 3g1u s VAL 239 N 1.13 4.26 -0.04 2.92 1.01 0.71 -4.05 120.40 126.34 3g1u s VAL 239 Ca 0.07 -0.23 0.00 0.00 0.00 0.00 0.00 61.98 61.82 3g1u s VAL 239 Cb -0.14 -2.87 -0.03 0.00 0.00 0.00 0.00 36.38 33.34 3g1u s VAL 239 CO 0.05 0.51 -0.02 -0.69 0.00 0.00 0.00 175.10 174.95 3g1u s VAL 240 N 0.09 4.09 0.08 2.92 1.01 -0.08 -0.88 120.40 127.62 3g1u s VAL 240 Ca 0.02 -0.48 0.08 0.00 0.00 0.00 0.00 61.98 61.60 3g1u s VAL 240 Cb -0.13 -2.76 -0.04 0.00 0.00 0.00 0.00 36.38 33.46 3g1u s VAL 240 CO 0.02 0.49 -0.16 0.42 0.00 0.00 0.00 175.10 175.87 3g1u s THR 241 N -0.96 2.96 0.05 3.92 -4.23 -0.55 -1.51 115.64 115.32 3g1u s THR 241 Ca 0.16 -1.29 -0.20 0.00 -1.18 0.00 0.00 61.69 59.18 3g1u s THR 241 Cb -0.11 -2.32 0.04 0.00 1.34 0.00 0.00 72.50 71.45 3g1u s THR 241 CO 0.06 0.21 0.46 -1.61 -0.54 0.00 0.00 174.62 173.20 3g1u s GLU 242 N -1.83 0.98 -0.03 3.99 0.41 -1.26 -0.09 118.70 120.86 3g1u s GLU 242 Ca 0.17 -0.32 0.13 0.00 -0.41 0.00 0.00 54.97 54.54 3g1u s GLU 242 Cb -0.11 0.44 -0.19 0.00 -1.78 0.00 0.00 34.13 32.49 3g1u s GLU 242 CO 0.09 -0.34 0.25 1.33 -0.49 0.00 0.00 175.26 176.09 3g1u n VAL 243 N 0.43 0.13 -3.34 2.63 0.24 -1.26 -4.99 118.33 112.18 3g1u n VAL 243 Ca -0.18 -0.33 -0.38 0.00 -2.04 0.00 0.00 64.34 61.40 3g1u n VAL 243 Cb 0.60 0.06 -0.07 0.00 -1.47 0.00 0.00 33.84 32.96 3g1u n VAL 243 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 3g1u s ASP 244 N -3.66 6.50 0.44 -1.34 -1.08 -1.26 -4.98 116.67 111.28 3g1u s ASP 244 Ca -0.05 0.60 0.19 0.00 -0.52 0.00 0.00 52.55 52.77 3g1u s ASP 244 Cb 0.08 -2.26 1.01 0.00 -1.46 0.00 0.00 42.92 40.29 3g1u s ASP 244 CO 0.54 -0.10 1.93 1.55 0.52 0.00 0.00 175.17 179.60 3g1u h PRO 245 N 7.32 0.00 -0.13 4.34 0.13 -1.99 -1.67 132.00 140.00 3g1u h PRO 245 Ca -0.36 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.76 3g1u h PRO 245 Cb 1.16 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.29 3g1u h PRO 245 CO 0.73 0.25 0.04 0.82 -0.23 0.00 0.00 178.00 179.61 3g1u h ILE 246 N 0.00 1.16 -0.21 -3.56 2.04 -1.99 -1.14 117.51 113.81 3g1u h ILE 246 Ca -0.00 -0.50 -0.13 0.00 1.00 0.00 0.00 64.86 65.23 3g1u h ILE 246 Cb 0.52 1.26 -0.01 0.00 -0.74 0.00 0.00 36.82 37.85 3g1u h ILE 246 CO 0.03 0.15 -0.43 0.78 0.00 0.00 0.00 178.15 178.69 3g1u h ASN 247 N 0.03 0.55 -0.42 1.72 4.21 -1.84 -2.21 115.58 117.62 3g1u h ASN 247 Ca 0.04 -0.25 -0.03 0.00 1.21 0.00 0.00 56.30 57.28 3g1u h ASN 247 Cb 0.19 -0.15 -0.02 0.00 -1.12 0.00 0.00 38.32 37.22 3g1u h ASN 247 CO -0.00 0.91 0.16 0.00 -1.29 0.00 0.00 177.43 177.21 3g1u h ALA 248 N 1.12 0.55 -0.76 -0.83 0.00 -1.21 -1.36 119.26 116.76 3g1u h ALA 248 Ca 0.03 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 3g1u h ALA 248 Cb 0.92 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.51 3g1u h ALA 248 CO 0.08 0.15 0.45 1.25 0.00 0.00 0.00 179.25 181.18 3g1u h LEU 249 N 0.53 0.92 -0.45 0.00 5.85 -1.11 -1.91 115.31 119.15 3g1u h LEU 249 Ca 0.14 -0.07 0.01 0.00 0.84 0.00 0.00 57.88 58.80 3g1u h LEU 249 Cb 0.20 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 40.97 3g1u h LEU 249 CO -0.01 0.73 0.28 1.56 -0.34 0.00 0.00 178.44 180.66 3g1u h GLN 250 N 1.04 0.56 -0.71 1.25 4.20 -1.15 -0.57 115.11 119.73 3g1u h GLN 250 Ca 0.27 -0.03 0.03 0.00 0.06 0.00 0.00 58.65 58.98 3g1u h GLN 250 Cb -0.02 -0.13 -0.04 0.00 0.30 0.00 0.00 27.48 27.59 3g1u h GLN 250 CO -0.05 0.37 0.44 0.00 -0.67 0.00 0.00 178.83 178.92 3g1u h ALA 251 N 1.18 0.93 -0.80 3.87 0.00 -0.96 -1.31 119.26 122.17 3g1u h ALA 251 Ca 0.17 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 3g1u h ALA 251 Cb -0.03 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 17.50 3g1u h ALA 251 CO -0.06 0.22 0.41 0.77 0.00 0.00 0.00 179.25 180.59 3g1u h SER 252 N 0.86 1.02 0.96 0.00 0.02 -1.02 -1.63 113.55 113.76 3g1u h SER 252 Ca 0.29 -0.10 0.00 0.00 -0.84 0.00 0.00 61.79 61.13 3g1u h SER 252 Cb 0.03 -0.26 0.00 0.00 0.14 0.00 0.00 62.40 62.31 3g1u h SER 252 CO -0.11 0.84 0.00 0.24 -1.14 0.00 0.00 176.83 176.66 3g1u h MET 253 N 1.13 0.00 -0.02 3.45 2.07 -0.26 -2.04 114.93 119.26 3g1u h MET 253 Ca 0.28 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.91 3g1u h MET 253 Cb 0.07 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 29.80 3g1u h MET 253 CO -0.04 0.00 -0.18 0.39 1.07 0.00 0.00 176.91 178.15 3g1u n GLU 254 N -2.76 1.54 0.00 1.72 -0.58 -0.57 -4.95 120.64 115.04 3g1u n GLU 254 Ca 0.01 -1.13 0.00 0.00 -0.42 0.00 0.00 57.16 55.63 3g1u n GLU 254 Cb 0.29 -1.48 0.00 0.00 -0.57 0.00 0.00 31.44 29.68 3g1u n GLU 254 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3g1u n GLY 255 N 1.32 1.07 3.69 0.62 0.00 -0.77 -5.08 105.19 106.05 3g1u n GLY 255 Ca 0.14 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.81 3g1u n GLY 255 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3g1u s TYR 256 N -2.00 3.28 0.25 1.61 2.02 -0.68 -5.01 117.35 116.81 3g1u s TYR 256 Ca 0.00 0.18 -0.31 0.00 -0.37 0.00 0.00 57.07 56.57 3g1u s TYR 256 Cb 0.00 -1.95 -0.11 0.00 -0.40 0.00 0.00 41.96 39.50 3g1u s TYR 256 CO 0.00 0.36 1.62 -1.14 -1.57 0.00 0.00 175.55 174.83 3g1u s GLN 257 N -0.32 4.14 -0.24 -0.62 0.74 -1.26 -3.81 119.66 118.29 3g1u s GLN 257 Ca 0.08 2.54 -0.06 0.00 0.05 0.00 0.00 55.36 57.97 3g1u s GLN 257 Cb -0.12 -3.06 -0.02 0.00 1.10 0.00 0.00 33.01 30.91 3g1u s GLN 257 CO 0.02 -0.65 0.04 0.08 -0.55 0.00 0.00 175.29 174.23 3g1u s VAL 258 N 0.51 4.10 0.32 1.34 1.01 -1.26 -0.91 120.40 125.52 3g1u s VAL 258 Ca 0.67 -0.24 -0.02 0.00 0.00 0.00 0.00 61.98 62.39 3g1u s VAL 258 Cb -0.48 -2.90 0.01 0.00 0.00 0.00 0.00 36.38 33.01 3g1u s VAL 258 CO 0.41 0.37 0.46 0.00 0.00 0.00 0.00 175.10 176.33 3g1u n ALA 259 N 4.82 -0.37 -2.38 5.51 0.00 -0.57 -4.97 120.51 122.55 3g1u n ALA 259 Ca -0.17 -1.47 -0.30 0.00 0.00 0.00 0.00 53.44 51.51 3g1u n ALA 259 Cb 0.51 1.18 -0.04 0.00 0.00 0.00 0.00 19.45 21.11 3g1u n ALA 259 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3g1u s LEU 260 N 0.00 4.01 0.27 0.00 1.43 -1.26 -4.13 118.68 119.00 3g1u s LEU 260 Ca 0.26 0.91 -0.01 0.00 -1.03 0.00 0.00 54.13 54.27 3g1u s LEU 260 Cb -0.01 -3.74 0.53 0.00 0.03 0.00 0.00 46.19 43.01 3g1u s LEU 260 CO 0.19 -0.23 1.77 0.58 0.23 0.00 0.00 176.35 178.89 3g1u h VAL 261 N 1.43 0.76 0.00 -1.59 2.07 -1.95 -1.37 116.25 115.60 3g1u h VAL 261 Ca -0.47 -0.23 -0.02 0.00 0.82 0.00 0.00 66.70 66.80 3g1u h VAL 261 Cb 1.18 0.02 -0.00 0.00 -1.52 0.00 0.00 31.29 30.98 3g1u h VAL 261 CO 0.66 0.12 -0.07 1.05 0.02 0.00 0.00 177.57 179.35 3g1u h GLU 262 N 0.68 0.00 -0.07 1.57 9.09 -1.97 0.68 114.58 124.56 3g1u h GLU 262 Ca 0.47 0.00 -0.09 0.00 0.05 0.00 0.00 59.36 59.79 3g1u h GLU 262 Cb 0.63 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.72 3g1u h GLU 262 CO -0.34 0.07 -0.37 -0.44 0.05 0.00 0.00 179.01 177.98 3g1u h ASP 263 N 0.00 0.14 -0.00 3.06 3.32 -1.63 -3.33 116.42 117.98 3g1u h ASP 263 Ca -0.00 -0.05 0.00 0.00 0.02 0.00 0.00 57.03 57.00 3g1u h ASP 263 Cb 0.44 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 39.95 3g1u h ASP 263 CO 0.01 0.50 -0.01 1.33 -1.72 0.00 0.00 179.24 179.35 3g1u n VAL 264 N -4.08 0.00 0.26 -1.35 0.24 -0.88 -4.78 118.33 107.74 3g1u n VAL 264 Ca -0.01 -0.50 0.12 0.00 -2.04 0.00 0.00 64.34 61.91 3g1u n VAL 264 Cb 0.43 1.04 0.78 0.00 -1.47 0.00 0.00 33.84 34.61 3g1u n VAL 264 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3g1u h MET 265 N 0.34 0.00 0.00 7.34 -0.00 -0.99 0.56 114.93 122.18 3g1u h MET 265 Ca 0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 59.70 59.61 3g1u h MET 265 Cb 0.08 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 31.66 3g1u h MET 265 CO 0.00 0.00 -0.57 0.00 -0.00 0.00 0.00 176.91 176.34 3g1u h ALA 266 N 1.97 0.71 0.00 -3.00 0.00 -1.85 -3.35 119.26 113.74 3g1u h ALA 266 Ca 0.02 -0.43 -0.05 0.00 0.00 0.00 0.00 54.91 54.46 3g1u h ALA 266 Cb 0.09 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 3g1u h ALA 266 CO -0.00 0.55 -1.60 -0.25 0.00 0.00 0.00 179.25 177.95 3g1u n ASP 267 N -3.14 2.23 -4.74 0.00 8.00 -0.35 -3.80 116.55 114.74 3g1u n ASP 267 Ca 0.01 0.00 -0.41 0.00 0.71 0.00 0.00 54.79 55.09 3g1u n ASP 267 Cb 0.71 1.38 -0.02 0.00 -0.02 0.00 0.00 41.12 43.17 3g1u n ASP 267 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3g1u s ALA 268 N -2.71 3.68 0.03 2.24 0.00 0.05 -4.71 121.76 120.34 3g1u s ALA 268 Ca -0.05 1.40 0.10 0.00 0.00 0.00 0.00 51.96 53.42 3g1u s ALA 268 Cb 0.07 -3.59 -0.22 0.00 0.00 0.00 0.00 23.12 19.38 3g1u s ALA 268 CO 0.49 -0.81 0.96 0.45 0.00 0.00 0.00 175.76 176.85 3g1u h HIS 269 N 5.22 0.00 -3.72 0.00 3.86 -0.32 -3.42 115.15 116.78 3g1u h HIS 269 Ca -0.46 0.00 -0.32 0.00 -1.16 0.00 0.00 60.37 58.43 3g1u h HIS 269 Cb 1.22 0.00 -0.30 0.00 1.06 0.00 0.00 27.41 29.38 3g1u h HIS 269 CO 0.60 0.99 -0.75 0.42 0.86 0.00 0.00 177.93 180.06 3g1u s ILE 270 N -2.66 0.27 -0.09 2.45 1.01 -1.10 -0.63 121.20 120.45 3g1u s ILE 270 Ca -0.02 -0.08 0.04 0.00 0.00 0.00 0.00 60.65 60.59 3g1u s ILE 270 Cb 0.09 -0.28 -0.01 0.00 0.01 0.00 0.00 42.46 42.28 3g1u s ILE 270 CO 0.82 0.11 -0.21 -0.36 0.00 0.00 0.00 174.94 175.30 3g1u s PHE 271 N 0.32 2.58 -0.11 3.97 0.08 0.74 -0.21 117.98 125.35 3g1u s PHE 271 Ca -0.03 -0.78 -0.01 0.00 0.12 0.00 0.00 56.93 56.23 3g1u s PHE 271 Cb -0.06 -1.69 0.03 0.00 -0.57 0.00 0.00 43.02 40.73 3g1u s PHE 271 CO -0.01 -0.26 -0.01 0.08 -0.10 0.00 0.00 175.22 174.93 3g1u s VAL 272 N 0.07 0.56 -0.19 -0.44 1.01 0.37 -1.37 120.40 120.40 3g1u s VAL 272 Ca -0.09 -0.11 -0.12 0.00 0.00 0.00 0.00 61.98 61.65 3g1u s VAL 272 Cb -0.15 -0.76 -0.05 0.00 0.00 0.00 0.00 36.38 35.42 3g1u s VAL 272 CO 0.06 0.19 0.23 0.42 0.00 0.00 0.00 175.10 176.00 3g1u s THR 273 N 1.89 5.34 -0.05 3.92 -4.23 -0.94 -0.25 115.64 121.31 3g1u s THR 273 Ca 0.04 0.39 0.08 0.00 -1.18 0.00 0.00 61.69 61.02 3g1u s THR 273 Cb -0.13 -3.57 0.13 0.00 1.34 0.00 0.00 72.50 70.27 3g1u s THR 273 CO -0.06 0.38 1.07 0.35 -0.54 0.00 0.00 174.62 175.81 3g1u n THR 274 N 3.76 0.71 -0.00 3.99 -2.24 0.15 -1.60 114.28 119.05 3g1u n THR 274 Ca -0.13 -0.92 -0.07 0.00 -2.27 0.00 0.00 64.05 60.65 3g1u n THR 274 Cb 0.52 0.25 -0.13 0.00 -2.10 0.00 0.00 70.33 68.87 3g1u n THR 274 CO 0.00 0.00 0.00 0.71 -0.57 0.00 0.00 175.07 175.21 3g1u h THR 275 N 4.43 0.96 0.00 4.28 1.35 -1.92 -3.43 112.91 118.58 3g1u h THR 275 Ca -0.01 -2.76 0.00 0.00 -0.55 0.00 0.00 66.41 63.09 3g1u h THR 275 Cb 1.28 2.46 0.00 0.00 -1.73 0.00 0.00 68.15 70.16 3g1u h THR 275 CO 0.00 0.55 0.00 0.61 -0.25 0.00 0.00 175.52 176.43 3g1u n GLY 276 N 1.50 0.52 3.36 5.82 0.00 -1.26 -5.03 105.19 110.11 3g1u n GLY 276 Ca -0.13 -0.03 -0.22 0.00 0.00 0.00 0.00 46.02 45.64 3g1u n GLY 276 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3g1u s ASN 277 N -2.03 2.85 0.41 1.61 3.84 -1.26 -4.98 114.94 115.38 3g1u s ASN 277 Ca 0.00 -0.93 -0.04 0.00 0.21 0.00 0.00 52.86 52.10 3g1u s ASN 277 Cb 0.00 -0.18 -0.04 0.00 -0.55 0.00 0.00 41.25 40.48 3g1u s ASN 277 CO 0.00 -0.05 0.69 -1.81 -2.79 0.00 0.00 177.10 173.14 3g1u s ASP 278 N -2.97 6.32 -1.06 -4.21 1.01 -1.26 -4.06 116.67 110.44 3g1u s ASP 278 Ca 0.20 0.79 -0.03 0.00 0.71 0.00 0.00 52.55 54.22 3g1u s ASP 278 Cb -0.04 -2.18 -0.04 0.00 1.01 0.00 0.00 42.92 41.67 3g1u s ASP 278 CO 0.08 -0.43 0.91 0.47 0.21 0.00 0.00 175.17 176.41 3g1u n ASP 279 N -1.85 -4.53 -0.07 0.27 8.00 -0.56 -4.88 116.55 112.93 3g1u n ASP 279 Ca -0.01 -0.64 -0.22 0.00 0.71 0.00 0.00 54.79 54.63 3g1u n ASP 279 Cb 0.55 -4.94 -0.12 0.00 -0.02 0.00 0.00 41.12 36.58 3g1u n ASP 279 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43 3g1u n ILE 280 N -3.50 1.62 -3.92 0.53 2.08 0.14 -4.83 119.36 111.48 3g1u n ILE 280 Ca -0.16 -0.37 -0.35 0.00 0.56 0.00 0.00 62.75 62.43 3g1u n ILE 280 Cb 0.63 -1.83 -0.14 0.00 -0.75 0.00 0.00 39.64 37.55 3g1u n ILE 280 CO 0.00 0.00 0.00 -0.63 0.56 0.00 0.00 176.55 176.48 3g1u s ILE 281 N -2.47 3.13 0.41 1.39 -1.09 -0.90 -5.03 121.20 116.64 3g1u s ILE 281 Ca -0.29 -0.84 0.04 0.00 -2.23 0.00 0.00 60.65 57.33 3g1u s ILE 281 Cb 0.08 -2.55 -0.02 0.00 -1.58 0.00 0.00 42.46 38.39 3g1u s ILE 281 CO 0.64 0.24 0.14 0.42 -1.23 0.00 0.00 174.94 175.16 3g1u s THR 282 N 1.39 0.55 0.64 2.92 -4.23 -1.26 -1.23 115.64 114.41 3g1u s THR 282 Ca 0.02 -2.00 0.29 0.00 -1.18 0.00 0.00 61.69 58.83 3g1u s THR 282 Cb -0.16 -2.34 0.33 0.00 1.34 0.00 0.00 72.50 71.66 3g1u s THR 282 CO -0.03 0.00 1.93 0.77 -0.54 0.00 0.00 174.62 176.74 3g1u h SER 283 N 1.80 0.00 0.47 3.99 4.64 -1.99 0.10 113.55 122.56 3g1u h SER 283 Ca -0.34 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.98 3g1u h SER 283 Cb 1.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.36 3g1u h SER 283 CO 0.55 0.00 -0.01 0.47 -0.87 0.00 0.00 176.83 176.97 3g1u n ASP 284 N -3.21 0.03 -0.02 4.97 8.00 -1.26 -4.30 116.55 120.75 3g1u n ASP 284 Ca 0.01 -0.30 -0.04 0.00 0.71 0.00 0.00 54.79 55.17 3g1u n ASP 284 Cb 0.46 -0.23 -0.02 0.00 -0.02 0.00 0.00 41.12 41.31 3g1u n ASP 284 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 3g1u n HIS 285 N -1.22 0.00 -0.29 1.24 8.25 0.31 -4.79 115.22 118.72 3g1u n HIS 285 Ca 0.16 0.00 0.12 0.00 -0.26 0.00 0.00 57.72 57.74 3g1u n HIS 285 Cb 0.22 -0.17 0.27 0.00 1.12 0.00 0.00 29.99 31.44 3g1u n HIS 285 CO 0.00 0.00 0.00 0.74 0.64 0.00 0.00 176.34 177.72 3g1u h PHE 286 N -0.10 0.33 0.00 4.41 0.04 -1.63 -1.48 116.94 118.51 3g1u h PHE 286 Ca -0.11 0.05 0.00 0.00 2.80 0.00 0.00 57.97 60.71 3g1u h PHE 286 Cb 1.12 -0.01 0.00 0.00 2.20 0.00 0.00 35.95 39.27 3g1u h PHE 286 CO -0.01 -0.20 0.00 -2.30 -0.60 0.00 0.00 178.31 175.20 3g1u n PRO 287 N -5.22 0.17 0.00 1.51 -0.02 -1.26 -2.72 135.00 127.45 3g1u n PRO 287 Ca 0.20 0.40 0.10 0.00 -2.02 0.00 0.00 63.50 62.19 3g1u n PRO 287 Cb 0.65 -1.82 0.03 0.00 -0.02 0.00 0.00 33.50 32.34 3g1u n PRO 287 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 3g1u n HIS 288 N -2.13 0.00 -2.39 6.00 8.25 -0.56 -5.00 115.22 119.39 3g1u n HIS 288 Ca 0.02 0.00 -0.39 0.00 -0.26 0.00 0.00 57.72 57.10 3g1u n HIS 288 Cb 0.22 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.30 3g1u n HIS 288 CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 3g1u s MET 289 N -2.11 4.29 0.99 -0.41 -1.94 -1.10 -4.04 119.30 114.98 3g1u s MET 289 Ca 0.20 1.79 -0.12 0.00 -1.71 0.00 0.00 55.69 55.84 3g1u s MET 289 Cb 0.17 -2.84 0.19 0.00 2.01 0.00 0.00 34.83 34.35 3g1u s MET 289 CO 0.43 -0.10 1.08 -0.98 -0.01 0.00 0.00 175.02 175.44 3g1u s ARG 290 N -2.02 0.46 0.12 2.03 1.70 -1.25 -4.90 118.95 115.09 3g1u s ARG 290 Ca 0.52 0.87 -0.33 0.00 -0.47 0.00 0.00 55.73 56.33 3g1u s ARG 290 Cb -0.30 -1.71 -0.12 0.00 -0.57 0.00 0.00 34.95 32.25 3g1u s ARG 290 CO 0.38 -2.80 1.74 -3.47 -1.08 0.00 0.00 175.30 170.07 3g1u n ASP 291 N -4.28 3.66 -1.59 -2.89 4.64 -1.26 -2.48 116.55 112.35 3g1u n ASP 291 Ca 0.06 1.03 -0.16 0.00 -1.38 0.00 0.00 54.79 54.34 3g1u n ASP 291 Cb 0.55 -1.49 -0.03 0.00 -1.04 0.00 0.00 41.12 39.10 3g1u n ASP 291 CO 0.00 0.00 0.00 0.47 -0.82 0.00 0.00 177.20 176.85 3g1u n ASP 292 N 4.78 -4.88 -4.68 1.67 8.00 0.28 -4.89 116.55 116.82 3g1u n ASP 292 Ca 0.18 0.17 -0.43 0.00 0.71 0.00 0.00 54.79 55.42 3g1u n ASP 292 Cb 0.33 -3.92 -0.01 0.00 -0.02 0.00 0.00 41.12 37.51 3g1u n ASP 292 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3g1u n ALA 293 N -0.45 1.09 -2.79 2.24 0.00 -1.04 -4.60 120.51 114.96 3g1u n ALA 293 Ca -0.18 0.35 -0.36 0.00 0.00 0.00 0.00 53.44 53.26 3g1u n ALA 293 Cb 0.60 -2.22 -0.10 0.00 0.00 0.00 0.00 19.45 17.73 3g1u n ALA 293 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3g1u s ILE 294 N -1.11 4.95 -0.15 0.00 1.01 0.19 -0.16 121.20 125.94 3g1u s ILE 294 Ca 0.56 0.03 0.02 0.00 0.00 0.00 0.00 60.65 61.27 3g1u s ILE 294 Cb -0.58 -3.27 0.01 0.00 0.01 0.00 0.00 42.46 38.63 3g1u s ILE 294 CO 0.61 0.40 -0.21 -0.69 0.00 0.00 0.00 174.94 175.05 3g1u s VAL 295 N 0.81 2.05 0.08 2.92 1.01 0.12 -0.18 120.40 127.20 3g1u s VAL 295 Ca 0.05 -0.96 -0.09 0.00 0.00 0.00 0.00 61.98 60.98 3g1u s VAL 295 Cb -0.13 -1.82 0.00 0.00 0.00 0.00 0.00 36.38 34.43 3g1u s VAL 295 CO 0.02 0.55 0.20 0.00 0.00 0.00 0.00 175.10 175.87 3g1u s ASN 297 N -2.68 2.62 0.00 0.00 2.47 -1.26 -2.22 114.94 113.86 3g1u s ASN 297 Ca 0.03 -0.45 0.00 0.00 0.42 0.00 0.00 52.86 52.86 3g1u s ASN 297 Cb 0.03 -0.27 0.00 0.00 -1.45 0.00 0.00 41.25 39.57 3g1u s ASN 297 CO -0.09 0.24 0.35 0.00 -3.72 0.00 0.00 177.10 173.88 3g1u n ILE 298 N 2.30 0.00 -0.88 -5.21 3.06 -0.62 -0.72 119.36 117.28 3g1u n ILE 298 Ca -0.16 -0.44 -0.30 0.00 -2.50 0.00 0.00 62.75 59.35 3g1u n ILE 298 Cb 0.53 1.09 0.17 0.00 0.54 0.00 0.00 39.64 41.97 3g1u n ILE 298 CO 0.00 0.00 0.00 -0.83 -2.50 0.00 0.00 176.55 173.22 3g1u s GLY 299 N -0.18 1.62 0.24 4.50 0.00 -1.12 -4.81 107.32 107.56 3g1u s GLY 299 Ca 0.00 0.15 -0.06 0.00 0.00 0.00 0.00 44.72 44.81 3g1u s GLY 299 CO 0.00 0.66 1.86 0.84 0.00 0.00 0.00 173.10 176.46 3g1u h HIS 300 N -1.90 1.22 -3.50 1.90 2.76 -1.94 -3.38 115.15 110.31 3g1u h HIS 300 Ca -0.50 -0.03 -0.68 0.00 -2.20 0.00 0.00 60.37 56.96 3g1u h HIS 300 Cb 1.29 -0.39 -0.16 0.00 1.55 0.00 0.00 27.41 29.69 3g1u h HIS 300 CO 0.42 0.85 -0.67 -0.06 -1.30 0.00 0.00 177.93 177.17 3g1u s PHE 301 N -5.81 3.00 0.49 5.26 0.08 -1.26 -4.73 117.98 115.02 3g1u s PHE 301 Ca -0.13 0.05 0.41 0.00 0.12 0.00 0.00 56.93 57.39 3g1u s PHE 301 Cb 0.17 -1.68 2.09 0.00 -0.57 0.00 0.00 43.02 43.02 3g1u s PHE 301 CO 0.83 0.40 2.25 0.38 -0.10 0.00 0.00 175.22 178.98 3g1u h ASP 302 N 4.78 0.00 0.00 1.36 3.04 -1.84 -3.24 116.42 120.51 3g1u h ASP 302 Ca -0.49 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.30 3g1u h ASP 302 Cb 1.18 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.47 3g1u h ASP 302 CO 0.54 0.00 0.00 0.35 -2.04 0.00 0.00 179.24 178.10 3g1u n THR 303 N -3.10 0.00 0.06 1.15 -2.24 -1.26 -2.03 114.28 106.86 3g1u n THR 303 Ca -0.02 0.00 0.07 0.00 -2.27 0.00 0.00 64.05 61.83 3g1u n THR 303 Cb 0.15 -0.45 0.50 0.00 -2.10 0.00 0.00 70.33 68.43 3g1u n THR 303 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 3g1u h GLU 304 N 0.00 0.35 -5.78 -0.78 5.08 -1.70 -1.50 114.58 110.26 3g1u h GLU 304 Ca 0.00 -0.02 -0.67 0.00 -1.00 0.00 0.00 59.36 57.67 3g1u h GLU 304 Cb 0.00 -0.08 -0.21 0.00 0.50 0.00 0.00 28.75 28.96 3g1u h GLU 304 CO 0.00 0.23 -0.70 0.42 -1.00 0.00 0.00 179.01 177.96 3g1u s ILE 305 N -5.35 3.64 -1.36 3.13 1.01 -0.86 0.26 121.20 121.67 3g1u s ILE 305 Ca -0.07 -0.48 -0.16 0.00 0.00 0.00 0.00 60.65 59.94 3g1u s ILE 305 Cb 0.18 -2.52 0.03 0.00 0.01 0.00 0.00 42.46 40.15 3g1u s ILE 305 CO 0.72 0.56 2.07 0.00 0.00 0.00 0.00 174.94 178.29 3g1u n GLN 306 N 2.81 2.79 -0.19 2.79 6.02 -0.36 -4.74 117.38 126.50 3g1u n GLN 306 Ca -0.18 -2.71 -0.10 0.00 -0.01 0.00 0.00 57.00 54.01 3g1u n GLN 306 Cb 0.53 -3.33 0.01 0.00 1.02 0.00 0.00 30.24 28.47 3g1u n GLN 306 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 3g1u h VAL 307 N 4.49 1.26 -0.88 5.09 2.07 -1.89 -2.28 116.25 124.12 3g1u h VAL 307 Ca 0.52 -1.09 0.12 0.00 0.82 0.00 0.00 66.70 67.07 3g1u h VAL 307 Cb 0.71 0.91 -0.08 0.00 -1.52 0.00 0.00 31.29 31.30 3g1u h VAL 307 CO 1.77 0.39 0.50 1.23 0.02 0.00 0.00 177.57 181.48 3g1u h GLY 308 N 0.81 1.41 0.78 2.17 0.00 -1.98 -0.41 103.07 105.86 3g1u h GLY 308 Ca 0.15 -0.32 -0.05 0.00 0.00 0.00 0.00 47.33 47.11 3g1u h GLY 308 CO 0.03 0.07 -0.08 -0.25 0.00 0.00 0.00 176.54 176.31 3g1u h TRP 309 N 0.78 0.43 -0.02 5.60 7.01 -1.92 -1.75 115.95 126.08 3g1u h TRP 309 Ca 0.45 -0.10 0.03 0.00 2.11 0.00 0.00 58.89 61.37 3g1u h TRP 309 Cb 0.51 -0.10 -0.04 0.00 -2.10 0.00 0.00 29.16 27.43 3g1u h TRP 309 CO -0.06 0.67 -0.19 1.25 -2.79 0.00 0.00 178.44 177.33 3g1u h LEU 310 N 0.07 -0.55 -1.38 0.65 5.85 -0.85 -0.79 115.31 118.30 3g1u h LEU 310 Ca 0.04 0.08 -0.04 0.00 0.84 0.00 0.00 57.88 58.80 3g1u h LEU 310 Cb 0.55 0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.80 3g1u h LEU 310 CO 0.02 -0.25 -0.04 -0.33 -0.34 0.00 0.00 178.44 177.51 3g1u h GLU 311 N -0.29 0.36 0.00 1.25 5.08 -1.09 -0.57 114.58 119.32 3g1u h GLU 311 Ca 0.06 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 3g1u h GLU 311 Cb 0.37 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.57 3g1u h GLU 311 CO -0.19 0.42 0.00 0.00 -1.00 0.00 0.00 179.01 178.24 3g1u h ALA 312 N 1.62 1.00 -0.00 3.43 0.00 -0.73 -3.34 119.26 121.24 3g1u h ALA 312 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3g1u h ALA 312 Cb 0.30 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.09 3g1u h ALA 312 CO 0.01 0.00 -0.35 0.09 0.00 0.00 0.00 179.25 179.00 3g1u n ASN 313 N -3.04 0.36 -4.73 0.00 3.02 -0.36 -4.97 115.26 105.55 3g1u n ASN 313 Ca 0.04 -0.68 -0.42 0.00 -0.03 0.00 0.00 54.58 53.49 3g1u n ASN 313 Cb 0.49 0.99 -0.03 0.00 -0.61 0.00 0.00 39.78 40.62 3g1u n ASN 313 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3g1u s ALA 314 N -1.69 3.52 -0.23 5.41 0.00 -0.26 -4.58 121.76 123.93 3g1u s ALA 314 Ca 0.03 1.06 0.23 0.00 0.00 0.00 0.00 51.96 53.28 3g1u s ALA 314 Cb 0.06 -3.49 0.48 0.00 0.00 0.00 0.00 23.12 20.17 3g1u s ALA 314 CO 0.30 -0.53 1.64 0.87 0.00 0.00 0.00 175.76 178.05 3g1u h LYS 315 N 6.01 0.00 -3.95 0.00 6.56 -1.26 -3.45 116.57 120.48 3g1u h LYS 315 Ca -0.43 0.00 -0.19 0.00 -1.06 0.00 0.00 60.65 58.97 3g1u h LYS 315 Cb 1.21 0.00 -0.23 0.00 -0.57 0.00 0.00 32.23 32.65 3g1u h LYS 315 CO 0.80 0.15 -0.71 -1.21 -2.06 0.00 0.00 179.45 176.43 3g1u s GLU 316 N -3.26 0.25 -0.02 3.15 2.02 -0.94 -4.98 118.70 114.92 3g1u s GLU 316 Ca 0.05 -0.48 0.02 0.00 0.02 0.00 0.00 54.97 54.57 3g1u s GLU 316 Cb 0.07 0.07 0.00 0.00 0.10 0.00 0.00 34.13 34.37 3g1u s GLU 316 CO 0.67 -0.03 -0.08 -1.58 0.02 0.00 0.00 175.26 174.26 3g1u s HIS 317 N -1.14 0.84 -0.08 1.61 5.65 -1.26 -1.19 115.29 119.72 3g1u s HIS 317 Ca -0.12 -0.20 0.01 0.00 0.25 0.00 0.00 55.06 55.00 3g1u s HIS 317 Cb -0.08 -0.61 0.02 0.00 -1.18 0.00 0.00 32.58 30.73 3g1u s HIS 317 CO -0.01 -0.09 -0.10 0.08 -0.65 0.00 0.00 174.74 173.97 3g1u s VAL 318 N 0.23 1.01 -0.44 0.89 1.01 -0.07 -5.00 120.40 118.03 3g1u s VAL 318 Ca -0.03 -0.36 -0.29 0.00 0.00 0.00 0.00 61.98 61.30 3g1u s VAL 318 Cb -0.08 -0.97 0.03 0.00 0.00 0.00 0.00 36.38 35.35 3g1u s VAL 318 CO 0.00 0.34 1.14 -0.70 0.00 0.00 0.00 175.10 175.88 3g1u s GLU 319 N 1.06 3.79 0.08 2.72 2.12 -1.26 -1.17 118.70 126.03 3g1u s GLU 319 Ca -0.07 0.69 -0.18 0.00 0.36 0.00 0.00 54.97 55.77 3g1u s GLU 319 Cb -0.14 -3.88 -0.09 0.00 0.26 0.00 0.00 34.13 30.28 3g1u s GLU 319 CO -0.01 -1.29 1.46 0.82 -0.54 0.00 0.00 175.26 175.70 3g1u h ILE 320 N 6.14 1.29 -2.57 -3.70 1.08 -1.41 -3.47 117.51 114.87 3g1u h ILE 320 Ca -0.23 -1.11 0.13 0.00 -0.39 0.00 0.00 64.86 63.26 3g1u h ILE 320 Cb 1.06 1.50 -0.05 0.00 -3.07 0.00 0.00 36.82 36.26 3g1u h ILE 320 CO 1.11 0.35 0.45 -1.59 -0.69 0.00 0.00 178.15 177.78 3g1u s LYS 321 N -4.70 1.45 0.28 2.37 -2.85 -1.21 -5.05 119.74 110.04 3g1u s LYS 321 Ca -0.13 -0.87 -0.30 0.00 -1.00 0.00 0.00 55.97 53.67 3g1u s LYS 321 Cb 0.07 0.45 -0.13 0.00 -2.06 0.00 0.00 37.83 36.16 3g1u s LYS 321 CO 0.77 -0.67 1.32 -2.30 0.10 0.00 0.00 175.35 174.56 3g1u n PRO 322 N -0.54 1.97 -1.23 1.78 -0.02 -1.26 -1.31 135.00 134.39 3g1u n PRO 322 Ca -0.05 0.70 -0.08 0.00 -2.02 0.00 0.00 63.50 62.04 3g1u n PRO 322 Cb 0.60 -2.29 -0.03 0.00 -0.02 0.00 0.00 33.50 31.76 3g1u n PRO 322 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 3g1u n GLN 323 N 1.35 -1.13 -3.77 -0.52 3.00 -1.26 -4.96 117.38 110.08 3g1u n GLN 323 Ca 0.09 0.71 -0.28 0.00 -0.01 0.00 0.00 57.00 57.51 3g1u n GLN 323 Cb 0.33 -4.76 -0.16 0.00 0.00 0.00 0.00 30.24 25.64 3g1u n GLN 323 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.06 177.14 3g1u s VAL 324 N -2.00 0.72 -0.05 5.09 1.01 -0.42 -0.06 120.40 124.67 3g1u s VAL 324 Ca 0.00 -0.73 0.03 0.00 0.00 0.00 0.00 61.98 61.28 3g1u s VAL 324 Cb 0.00 -1.21 0.00 0.00 0.00 0.00 0.00 36.38 35.18 3g1u s VAL 324 CO 0.00 -0.22 -0.15 -1.81 0.00 0.00 0.00 175.10 172.91 3g1u s ASP 325 N 1.76 2.03 -0.16 3.32 1.01 -0.68 -0.92 116.67 123.03 3g1u s ASP 325 Ca -0.01 -0.34 -0.02 0.00 0.71 0.00 0.00 52.55 52.89 3g1u s ASP 325 Cb -0.17 -0.73 -0.02 0.00 1.01 0.00 0.00 42.92 43.01 3g1u s ASP 325 CO -0.09 0.10 -0.08 -0.60 0.21 0.00 0.00 175.17 174.72 3g1u s ARG 326 N 0.30 3.48 -0.15 8.23 3.52 -0.32 0.03 118.95 134.03 3g1u s ARG 326 Ca -0.09 -0.62 0.01 0.00 -0.13 0.00 0.00 55.73 54.90 3g1u s ARG 326 Cb -0.13 -2.81 -0.00 0.00 -1.56 0.00 0.00 34.95 30.44 3g1u s ARG 326 CO 0.03 0.12 -0.16 0.71 -0.81 0.00 0.00 175.30 175.20 3g1u s TYR 327 N 0.62 2.76 -0.23 5.12 2.02 0.71 -0.89 117.35 127.47 3g1u s TYR 327 Ca -0.05 -1.06 -0.19 0.00 -0.37 0.00 0.00 57.07 55.41 3g1u s TYR 327 Cb -0.15 -1.87 -0.03 0.00 -0.40 0.00 0.00 41.96 39.51 3g1u s TYR 327 CO 0.03 -0.48 0.54 0.99 -1.57 0.00 0.00 175.55 175.06 3g1u s THR 328 N 0.78 5.07 0.79 -0.71 2.01 -0.34 -0.62 115.64 122.62 3g1u s THR 328 Ca -0.06 0.97 -0.09 0.00 0.31 0.00 0.00 61.69 62.82 3g1u s THR 328 Cb -0.15 -3.86 0.11 0.00 0.01 0.00 0.00 72.50 68.61 3g1u s THR 328 CO 0.00 0.12 1.11 -0.04 -0.69 0.00 0.00 174.62 175.12 3g1u s MET 329 N 2.01 1.66 0.38 4.92 1.00 -0.46 -0.84 119.30 127.98 3g1u s MET 329 Ca 0.24 -0.41 0.07 0.00 0.00 0.00 0.00 55.69 55.58 3g1u s MET 329 Cb -0.16 -2.09 0.79 0.00 0.00 0.00 0.00 34.83 33.38 3g1u s MET 329 CO 0.09 -1.63 2.00 1.49 0.00 0.00 0.00 175.02 176.97 3g1u h GLU 330 N -0.92 0.66 0.00 2.03 4.81 -1.90 -1.60 114.58 117.66 3g1u h GLU 330 Ca -0.43 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 58.76 3g1u h GLU 330 Cb 1.29 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 30.52 3g1u h GLU 330 CO 0.51 0.43 0.00 0.27 -0.73 0.00 0.00 179.01 179.50 3g1u n ASN 331 N -4.47 0.00 0.00 1.04 0.23 -1.26 -4.88 115.26 105.93 3g1u n ASN 331 Ca 0.08 -0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.12 3g1u n ASN 331 Cb 0.17 -0.21 0.00 0.00 -2.08 0.00 0.00 39.78 37.66 3g1u n ASN 331 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3g1u n GLY 332 N -0.32 2.39 3.94 4.83 0.00 -0.60 -5.06 105.19 110.37 3g1u n GLY 332 Ca 0.06 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.84 3g1u n GLY 332 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3g1u s ARG 333 N -0.64 2.66 0.14 1.61 0.52 -1.26 -4.76 118.95 117.22 3g1u s ARG 333 Ca 0.00 -0.41 0.08 0.00 -0.52 0.00 0.00 55.73 54.89 3g1u s ARG 333 Cb 0.00 -2.37 -0.04 0.00 0.52 0.00 0.00 34.95 33.06 3g1u s ARG 333 CO 0.00 -0.74 -0.11 -1.01 0.02 0.00 0.00 175.30 173.45 3g1u s HIS 334 N -2.89 2.65 -0.05 -0.53 3.76 -1.26 -1.35 115.29 115.62 3g1u s HIS 334 Ca 0.55 -0.21 0.04 0.00 -0.15 0.00 0.00 55.06 55.30 3g1u s HIS 334 Cb -0.10 -1.35 -0.00 0.00 1.11 0.00 0.00 32.58 32.24 3g1u s HIS 334 CO 0.41 0.46 -0.18 0.42 -0.85 0.00 0.00 174.74 175.00 3g1u s ILE 335 N -1.43 1.51 -0.25 0.60 1.01 0.21 -0.55 121.20 122.30 3g1u s ILE 335 Ca 0.22 -0.75 -0.07 0.00 0.00 0.00 0.00 60.65 60.05 3g1u s ILE 335 Cb -0.10 -1.30 -0.03 0.00 0.01 0.00 0.00 42.46 41.04 3g1u s ILE 335 CO 0.14 0.43 0.07 -0.63 0.00 0.00 0.00 174.94 174.95 3g1u s ILE 336 N 0.10 4.30 -0.14 2.92 1.01 0.78 -0.21 121.20 129.96 3g1u s ILE 336 Ca -0.06 -0.17 -0.03 0.00 0.00 0.00 0.00 60.65 60.39 3g1u s ILE 336 Cb -0.13 -3.01 -0.03 0.00 0.01 0.00 0.00 42.46 39.31 3g1u s ILE 336 CO 0.03 0.34 -0.03 -0.22 0.00 0.00 0.00 174.94 175.06 3g1u s LEU 337 N 1.58 3.31 -0.15 2.97 2.96 0.10 0.14 118.68 129.59 3g1u s LEU 337 Ca 0.06 -0.08 -0.07 0.00 -0.22 0.00 0.00 54.13 53.82 3g1u s LEU 337 Cb -0.15 -1.79 -0.04 0.00 0.50 0.00 0.00 46.19 44.71 3g1u s LEU 337 CO 0.04 0.21 0.12 -0.76 -1.32 0.00 0.00 176.35 174.63 3g1u s LEU 338 N 0.10 4.20 -1.05 -0.68 1.43 -0.79 -1.69 118.68 120.20 3g1u s LEU 338 Ca -0.00 0.32 0.00 0.00 -1.03 0.00 0.00 54.13 53.42 3g1u s LEU 338 Cb -0.13 -2.04 0.00 0.00 0.03 0.00 0.00 46.19 44.04 3g1u s LEU 338 CO 0.03 0.31 0.00 0.00 0.23 0.00 0.00 176.35 176.92 3g1u n ALA 339 N 2.63 -0.63 -4.05 4.21 0.00 0.91 -0.78 120.51 122.81 3g1u n ALA 339 Ca -0.18 0.12 -0.33 0.00 0.00 0.00 0.00 53.44 53.05 3g1u n ALA 339 Cb 0.54 -1.39 0.00 0.00 0.00 0.00 0.00 19.45 18.61 3g1u n ALA 339 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3g1u n LYS 340 N -2.51 -4.54 -0.91 0.00 4.76 -1.26 -1.62 118.16 112.08 3g1u n LYS 340 Ca -0.13 0.50 0.00 0.00 -2.87 0.00 0.00 58.31 55.81 3g1u n LYS 340 Cb 0.54 -5.32 0.00 0.00 -1.84 0.00 0.00 35.03 28.41 3g1u n LYS 340 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3g1u n GLY 341 N -1.57 0.80 3.85 0.72 0.00 0.04 -4.95 105.19 104.08 3g1u n GLY 341 Ca 0.05 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.77 3g1u n GLY 341 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3g1u s ARG 342 N -0.20 3.00 -0.33 1.61 3.00 -0.64 -4.14 118.95 121.24 3g1u s ARG 342 Ca 0.00 0.73 -0.39 0.00 0.00 0.00 0.00 55.73 56.07 3g1u s ARG 342 Cb 0.00 -2.01 -0.15 0.00 0.00 0.00 0.00 34.95 32.79 3g1u s ARG 342 CO 0.00 -1.00 1.96 1.47 0.00 0.00 0.00 175.30 177.73 3g1u n LEU 343 N -3.03 2.08 0.10 2.53 -0.00 -1.25 -4.51 117.00 112.92 3g1u n LEU 343 Ca 0.07 0.79 -0.05 0.00 -0.00 0.00 0.00 56.01 56.82 3g1u n LEU 343 Cb 0.55 -1.15 0.10 0.00 -0.00 0.00 0.00 43.42 42.91 3g1u n LEU 343 CO 0.57 -0.58 0.42 1.62 -0.00 0.00 0.00 177.39 179.42 3g1u h VAL 344 N 6.14 1.44 -0.70 1.47 3.04 -1.24 0.19 116.25 126.59 3g1u h VAL 344 Ca -0.35 -2.21 -0.05 0.00 -1.01 0.00 0.00 66.70 63.09 3g1u h VAL 344 Cb 1.33 2.17 -0.03 0.00 -2.01 0.00 0.00 31.29 32.75 3g1u h VAL 344 CO 1.00 0.64 0.25 -0.55 -1.01 0.00 0.00 177.57 177.90 3g1u h ASN 345 N 0.11 0.97 0.55 3.17 -1.07 -1.83 -1.12 115.58 116.36 3g1u h ASN 345 Ca -0.01 -0.16 -0.28 0.00 0.07 0.00 0.00 56.30 55.91 3g1u h ASN 345 Cb 1.21 -0.25 -0.04 0.00 -2.07 0.00 0.00 38.32 37.17 3g1u h ASN 345 CO 0.10 0.88 -1.59 -0.07 0.07 0.00 0.00 177.43 176.83 3g1u h LEU 346 N 1.02 0.07 0.01 6.14 3.38 -1.75 -0.12 115.31 124.06 3g1u h LEU 346 Ca 0.23 -0.12 -0.23 0.00 0.09 0.00 0.00 57.88 57.85 3g1u h LEU 346 Cb 0.24 -0.02 -0.03 0.00 0.09 0.00 0.00 40.66 40.94 3g1u h LEU 346 CO -0.01 1.11 -1.12 1.23 0.09 0.00 0.00 178.44 179.73 3g1u h GLY 347 N 3.06 0.01 0.00 0.83 0.00 -0.56 -3.38 103.07 103.03 3g1u h GLY 347 Ca -0.24 -0.03 0.00 0.00 0.00 0.00 0.00 47.33 47.05 3g1u h GLY 347 CO 0.10 0.03 -0.75 0.00 0.00 0.00 0.00 176.54 175.92 3g1u n ALA 349 N -1.41 0.00 -0.21 0.00 0.00 -1.05 -4.48 120.51 113.36 3g1u n ALA 349 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.48 3g1u n ALA 349 Cb 0.11 0.00 0.11 0.00 0.00 0.00 0.00 19.45 19.68 3g1u n ALA 349 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3g1u n SER 350 N 0.00 2.70 -0.27 0.00 7.64 -1.11 -4.62 113.62 117.97 3g1u n SER 350 Ca 0.00 -2.11 0.00 0.00 1.01 0.00 0.00 58.87 57.77 3g1u n SER 350 Cb 0.00 -0.19 0.00 0.00 -1.01 0.00 0.00 64.21 63.01 3g1u n SER 350 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3g1u n GLY 351 N 0.07 -1.68 3.70 0.23 0.00 -0.08 -4.84 105.19 102.59 3g1u n GLY 351 Ca 0.09 -1.29 -0.39 0.00 0.00 0.00 0.00 46.02 44.43 3g1u n GLY 351 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3g1u n HIS 352 N -0.53 1.90 -1.36 1.61 8.25 -1.26 -4.78 115.22 119.04 3g1u n HIS 352 Ca 0.00 0.46 -0.30 0.00 -0.26 0.00 0.00 57.72 57.62 3g1u n HIS 352 Cb 0.00 -2.32 0.10 0.00 1.12 0.00 0.00 29.99 28.90 3g1u n HIS 352 CO 0.00 0.00 0.00 -2.14 0.64 0.00 0.00 176.34 174.84 3g1u s PRO 353 N -2.62 1.97 0.23 -0.41 0.02 -1.26 -4.84 135.00 128.09 3g1u s PRO 353 Ca 0.69 0.89 -0.12 0.00 0.02 0.00 0.00 61.00 62.48 3g1u s PRO 353 Cb -0.45 -1.89 0.30 0.00 0.02 0.00 0.00 34.50 32.48 3g1u s PRO 353 CO 0.52 -1.77 1.61 0.77 -0.33 0.00 0.00 177.00 177.80 3g1u h SER 354 N -1.20 -0.71 -0.43 2.53 0.02 -1.94 -2.77 113.55 109.04 3g1u h SER 354 Ca -0.46 0.22 0.03 0.00 -0.84 0.00 0.00 61.79 60.74 3g1u h SER 354 Cb 1.26 0.47 -0.04 0.00 0.14 0.00 0.00 62.40 64.23 3g1u h SER 354 CO 0.55 -0.25 0.23 0.15 -1.14 0.00 0.00 176.83 176.37 3g1u h PHE 355 N -0.01 0.42 -0.09 3.45 3.57 -1.89 -0.33 116.94 122.07 3g1u h PHE 355 Ca 0.35 0.02 -0.17 0.00 3.53 0.00 0.00 57.97 61.70 3g1u h PHE 355 Cb 0.54 -0.12 -0.01 0.00 2.79 0.00 0.00 35.95 39.15 3g1u h PHE 355 CO -0.60 0.22 -0.67 -0.24 -2.23 0.00 0.00 178.31 174.80 3g1u h VAL 356 N 0.45 1.38 0.00 1.41 3.04 -1.84 -3.01 116.25 117.68 3g1u h VAL 356 Ca 0.18 -2.06 -0.03 0.00 -1.01 0.00 0.00 66.70 63.78 3g1u h VAL 356 Cb 0.08 2.04 -0.00 0.00 -2.01 0.00 0.00 31.29 31.40 3g1u h VAL 356 CO -0.12 0.62 -0.15 0.24 -1.01 0.00 0.00 177.57 177.15 3g1u h MET 357 N 0.25 0.00 -0.88 4.17 2.86 -1.08 -2.25 114.93 118.01 3g1u h MET 357 Ca -0.02 0.00 0.09 0.00 -2.06 0.00 0.00 59.70 57.71 3g1u h MET 357 Cb 1.22 0.00 -0.06 0.00 0.06 0.00 0.00 31.60 32.82 3g1u h MET 357 CO 0.11 0.15 0.57 1.03 1.06 0.00 0.00 176.91 179.83 3g1u h SER 358 N 0.00 0.79 0.52 1.22 0.87 -0.94 -0.93 113.55 115.08 3g1u h SER 358 Ca -0.00 0.02 -0.02 0.00 -1.23 0.00 0.00 61.79 60.56 3g1u h SER 358 Cb 0.30 -0.15 -0.00 0.00 -0.44 0.00 0.00 62.40 62.11 3g1u h SER 358 CO 0.02 0.48 -0.31 0.78 -0.53 0.00 0.00 176.83 177.27 3g1u h ASN 359 N 0.88 -0.77 0.77 6.23 2.35 -1.50 -1.12 115.58 122.41 3g1u h ASN 359 Ca 0.40 0.04 -0.18 0.00 -0.55 0.00 0.00 56.30 56.01 3g1u h ASN 359 Cb 0.37 0.23 -0.02 0.00 0.05 0.00 0.00 38.32 38.95 3g1u h ASN 359 CO -0.16 -0.49 -0.85 0.77 -1.65 0.00 0.00 177.43 175.05 3g1u h SER 360 N -0.78 0.07 0.23 5.81 4.64 -1.59 -2.71 113.55 119.21 3g1u h SER 360 Ca -0.06 -0.06 -0.17 0.00 -0.47 0.00 0.00 61.79 61.03 3g1u h SER 360 Cb 0.64 -0.02 -0.01 0.00 -0.31 0.00 0.00 62.40 62.70 3g1u h SER 360 CO 0.07 0.88 -0.65 -0.26 -0.87 0.00 0.00 176.83 176.00 3g1u h PHE 361 N 0.03 0.52 -0.88 4.77 0.04 -1.23 0.11 116.94 120.30 3g1u h PHE 361 Ca -0.02 -0.21 0.01 0.00 2.80 0.00 0.00 57.97 60.55 3g1u h PHE 361 Cb 1.48 -0.09 -0.04 0.00 2.20 0.00 0.00 35.95 39.50 3g1u h PHE 361 CO 0.01 0.93 0.58 1.15 -0.60 0.00 0.00 178.31 180.38 3g1u h THR 362 N 0.29 1.22 -0.53 -1.55 2.02 -1.12 -1.65 112.91 111.58 3g1u h THR 362 Ca -0.01 -0.41 -0.10 0.00 0.77 0.00 0.00 66.41 66.66 3g1u h THR 362 Cb 1.20 -0.07 -0.02 0.00 -1.74 0.00 0.00 68.15 67.51 3g1u h THR 362 CO 0.11 0.22 -0.07 0.78 0.37 0.00 0.00 175.52 176.93 3g1u h ASN 363 N 1.19 0.95 -0.42 4.18 2.35 -1.15 -2.23 115.58 120.44 3g1u h ASN 363 Ca 0.33 -0.29 0.05 0.00 -0.55 0.00 0.00 56.30 55.84 3g1u h ASN 363 Cb -0.12 -0.26 -0.04 0.00 0.05 0.00 0.00 38.32 37.95 3g1u h ASN 363 CO -0.08 1.04 0.16 1.56 -1.65 0.00 0.00 177.43 178.47 3g1u h GLN 364 N 0.87 0.33 -0.71 0.81 1.08 -0.42 0.73 115.11 117.80 3g1u h GLN 364 Ca 0.15 -0.02 -0.00 0.00 -1.45 0.00 0.00 58.65 57.32 3g1u h GLN 364 Cb 0.60 -0.07 -0.03 0.00 -0.05 0.00 0.00 27.48 27.93 3g1u h GLN 364 CO 0.04 0.22 0.43 0.28 -0.95 0.00 0.00 178.83 178.85 3g1u h VAL 365 N 0.34 1.20 -0.41 -0.54 2.07 -1.13 -2.00 116.25 115.77 3g1u h VAL 365 Ca 0.19 -0.44 -0.14 0.00 0.82 0.00 0.00 66.70 67.13 3g1u h VAL 365 Cb 0.16 0.21 -0.01 0.00 -1.52 0.00 0.00 31.29 30.13 3g1u h VAL 365 CO -0.18 0.21 -0.31 -0.07 0.02 0.00 0.00 177.57 177.24 3g1u h LEU 366 N 0.97 0.96 -0.76 2.57 3.38 -1.07 -1.78 115.31 119.58 3g1u h LEU 366 Ca 0.26 -0.40 0.00 0.00 0.09 0.00 0.00 57.88 57.82 3g1u h LEU 366 Cb -0.04 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.40 3g1u h LEU 366 CO -0.05 1.19 0.48 0.00 0.09 0.00 0.00 178.44 180.15 3g1u h ALA 367 N 0.87 0.97 -0.19 1.53 0.00 -0.57 -1.17 119.26 120.70 3g1u h ALA 367 Ca 0.08 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 3g1u h ALA 367 Cb 0.88 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 3g1u h ALA 367 CO 0.08 0.41 0.04 0.37 0.00 0.00 0.00 179.25 180.15 3g1u h GLN 368 N 1.03 0.30 -0.29 0.00 5.75 -1.19 0.10 115.11 120.81 3g1u h GLN 368 Ca 0.28 -0.08 0.04 0.00 -0.15 0.00 0.00 58.65 58.74 3g1u h GLN 368 Cb -0.07 -0.04 -0.04 0.00 1.07 0.00 0.00 27.48 28.40 3g1u h GLN 368 CO -0.06 0.45 0.04 0.82 -2.65 0.00 0.00 178.83 177.43 3g1u h ILE 369 N 0.10 0.84 -0.09 2.39 2.04 -1.24 -0.21 117.51 121.34 3g1u h ILE 369 Ca 0.06 -0.05 0.03 0.00 1.00 0.00 0.00 64.86 65.90 3g1u h ILE 369 Cb 0.29 0.69 -0.04 0.00 -0.74 0.00 0.00 36.82 37.02 3g1u h ILE 369 CO 0.00 0.03 -0.13 -0.08 0.00 0.00 0.00 178.15 177.96 3g1u h GLU 370 N 0.14 -0.17 -0.11 2.37 4.57 -0.93 0.75 114.58 121.19 3g1u h GLU 370 Ca 0.14 0.01 -0.01 0.00 -1.18 0.00 0.00 59.36 58.32 3g1u h GLU 370 Cb 0.16 0.04 -0.00 0.00 -0.16 0.00 0.00 28.75 28.78 3g1u h GLU 370 CO -0.19 -0.11 0.04 -0.07 -1.18 0.00 0.00 179.01 177.49 3g1u h LEU 371 N -0.18 0.15 -0.16 1.64 3.38 -0.90 -2.84 115.31 116.41 3g1u h LEU 371 Ca 0.08 -0.16 -0.02 0.00 0.09 0.00 0.00 57.88 57.87 3g1u h LEU 371 Cb 0.29 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 3g1u h LEU 371 CO -0.20 0.27 0.03 -0.25 0.09 0.00 0.00 178.44 178.39 3g1u h TRP 372 N 0.02 0.28 0.00 1.13 2.91 -0.90 -2.77 115.95 116.61 3g1u h TRP 372 Ca 0.04 -0.04 0.00 0.00 1.13 0.00 0.00 58.89 60.02 3g1u h TRP 372 Cb 0.17 -0.08 0.00 0.00 -0.51 0.00 0.00 29.16 28.74 3g1u h TRP 372 CO -0.02 0.42 0.00 -1.13 -1.03 0.00 0.00 178.44 176.68 3g1u n SER 373 N -4.80 0.34 -0.77 2.65 3.41 0.25 -2.59 113.62 112.11 3g1u n SER 373 Ca -0.05 0.56 0.05 0.00 -0.26 0.00 0.00 58.87 59.17 3g1u n SER 373 Cb 0.18 -0.64 0.21 0.00 -0.26 0.00 0.00 64.21 63.70 3g1u n SER 373 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3g1u n ASN 374 N -1.85 2.95 0.25 4.04 3.02 -1.07 -4.80 115.26 117.80 3g1u n ASN 374 Ca 0.05 -3.33 0.17 0.00 -0.03 0.00 0.00 54.58 51.43 3g1u n ASN 374 Cb 0.29 -0.55 0.76 0.00 -0.61 0.00 0.00 39.78 39.67 3g1u n ASN 374 CO 0.00 0.00 0.00 0.08 -2.62 0.00 0.00 177.26 174.72 3g1u h ARG 375 N 1.10 0.00 0.00 3.52 0.11 -1.23 -3.25 114.38 114.62 3g1u h ARG 375 Ca 0.07 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.15 3g1u h ARG 375 Cb 1.38 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.46 3g1u h ARG 375 CO 0.21 0.00 -1.22 -0.25 0.10 0.00 0.00 179.97 178.81 3g1u n ASP 376 N -2.81 3.22 -0.56 0.08 8.00 -1.26 -4.61 116.55 118.60 3g1u n ASP 376 Ca -0.00 -0.05 0.04 0.00 0.71 0.00 0.00 54.79 55.48 3g1u n ASP 376 Cb 0.20 1.28 0.12 0.00 -0.02 0.00 0.00 41.12 42.71 3g1u n ASP 376 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 3g1u n ASN 377 N -1.68 1.60 -0.86 -2.24 0.23 -1.23 -4.91 115.26 106.17 3g1u n ASN 377 Ca -0.01 -2.04 -0.11 0.00 -0.53 0.00 0.00 54.58 51.88 3g1u n ASN 377 Cb 0.17 -0.23 -0.05 0.00 -2.08 0.00 0.00 39.78 37.59 3g1u n ASN 377 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3g1u n GLY 378 N 0.84 1.16 0.27 4.83 0.00 -1.26 -4.87 105.19 106.15 3g1u n GLY 378 Ca 0.09 -0.16 0.02 0.00 0.00 0.00 0.00 46.02 45.97 3g1u n GLY 378 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3g1u h LYS 379 N 0.07 0.40 -2.92 1.61 3.64 -1.91 -3.30 116.57 114.15 3g1u h LYS 379 Ca -0.23 -0.07 -0.61 0.00 -1.27 0.00 0.00 60.65 58.47 3g1u h LYS 379 Cb 0.98 -0.07 -0.41 0.00 -0.41 0.00 0.00 32.23 32.32 3g1u h LYS 379 CO 0.34 0.41 -0.66 0.66 -2.27 0.00 0.00 179.45 177.93 3g1u n TYR 380 N -4.34 2.38 -1.64 1.91 4.02 -1.26 -5.09 117.16 113.14 3g1u n TYR 380 Ca 0.01 -4.10 -0.45 0.00 -0.01 0.00 0.00 57.90 53.34 3g1u n TYR 380 Cb 0.20 -0.44 -0.02 0.00 -0.02 0.00 0.00 39.34 39.06 3g1u n TYR 380 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 176.86 175.50 3g1u n PRO 381 N 2.12 1.77 -3.51 -0.72 -0.04 -1.24 -4.67 135.00 128.70 3g1u n PRO 381 Ca 0.22 0.63 -0.28 0.00 -0.04 0.00 0.00 63.50 64.03 3g1u n PRO 381 Cb 0.38 -2.20 -0.03 0.00 -0.04 0.00 0.00 33.50 31.61 3g1u n PRO 381 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 3g1u s ARG 382 N -0.81 3.57 2.05 0.54 3.00 -1.26 -3.64 118.95 122.40 3g1u s ARG 382 Ca 0.66 -0.17 0.00 0.00 0.00 0.00 0.00 55.73 56.21 3g1u s ARG 382 Cb -0.68 -2.74 0.00 0.00 0.00 0.00 0.00 34.95 31.53 3g1u s ARG 382 CO 0.54 0.30 0.00 0.41 0.00 0.00 0.00 175.30 176.55 3g1u n GLY 383 N -0.82 0.75 0.21 -3.53 0.00 -0.04 -4.40 105.19 97.37 3g1u n GLY 383 Ca -0.03 -1.22 -0.00 0.00 0.00 0.00 0.00 46.02 44.77 3g1u n GLY 383 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3g1u h ASP 384 N 1.51 0.25 -0.42 1.61 5.19 -1.88 -2.89 116.42 119.79 3g1u h ASP 384 Ca 0.00 -0.08 0.00 0.00 -0.62 0.00 0.00 57.03 56.33 3g1u h ASP 384 Cb 0.00 -0.07 0.00 0.00 0.18 0.00 0.00 39.33 39.44 3g1u h ASP 384 CO 0.00 0.54 0.00 0.29 -3.12 0.00 0.00 179.24 176.95 3g1u n LYS 385 N -4.12 2.07 -1.70 3.56 5.02 -1.26 -4.97 118.16 116.75 3g1u n LYS 385 Ca -0.01 -1.65 -0.43 0.00 -2.02 0.00 0.00 58.31 54.20 3g1u n LYS 385 Cb 0.39 -1.38 -0.01 0.00 -0.02 0.00 0.00 35.03 34.01 3g1u n LYS 385 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3g1u n ALA 386 N 0.84 1.34 -4.18 7.82 0.00 -1.09 -4.69 120.51 120.56 3g1u n ALA 386 Ca 0.16 0.37 -0.22 0.00 0.00 0.00 0.00 53.44 53.75 3g1u n ALA 386 Cb 0.40 -2.27 -0.07 0.00 0.00 0.00 0.00 19.45 17.52 3g1u n ALA 386 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3g1u n GLY 387 N 1.03 3.05 3.46 0.00 0.00 -1.26 -4.93 105.19 106.54 3g1u n GLY 387 Ca 0.06 -1.90 -0.34 0.00 0.00 0.00 0.00 46.02 43.83 3g1u n GLY 387 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3g1u s VAL 388 N -3.19 3.91 0.39 1.61 1.01 -1.26 -0.50 120.40 122.36 3g1u s VAL 388 Ca 0.34 -0.34 0.06 0.00 0.00 0.00 0.00 61.98 62.05 3g1u s VAL 388 Cb 0.02 -2.75 -0.08 0.00 0.00 0.00 0.00 36.38 33.57 3g1u s VAL 388 CO 0.24 0.45 0.01 -0.36 0.00 0.00 0.00 175.10 175.45 3g1u s PHE 389 N 0.77 2.38 0.13 5.22 0.08 0.19 -4.94 117.98 121.82 3g1u s PHE 389 Ca -0.00 -0.72 0.09 0.00 0.12 0.00 0.00 56.93 56.41 3g1u s PHE 389 Cb -0.14 -1.64 -0.04 0.00 -0.57 0.00 0.00 43.02 40.63 3g1u s PHE 389 CO 0.02 0.36 -0.14 -0.06 -0.10 0.00 0.00 175.22 175.30 3g1u s PHE 390 N -2.84 2.60 0.48 0.36 0.08 -1.26 0.80 117.98 118.21 3g1u s PHE 390 Ca 0.35 -0.23 -0.24 0.00 0.12 0.00 0.00 56.93 56.93 3g1u s PHE 390 Cb 0.09 -1.34 -0.07 0.00 -0.57 0.00 0.00 43.02 41.13 3g1u s PHE 390 CO 0.17 0.43 1.40 -0.51 -0.10 0.00 0.00 175.22 176.62 3g1u s LEU 391 N -2.37 4.02 0.20 -0.37 1.43 -1.26 -4.93 118.68 115.40 3g1u s LEU 391 Ca 0.21 2.86 -0.32 0.00 -1.03 0.00 0.00 54.13 55.84 3g1u s LEU 391 Cb -0.10 -4.06 -0.14 0.00 0.03 0.00 0.00 46.19 41.92 3g1u s LEU 391 CO 0.12 -1.31 1.36 -2.65 0.23 0.00 0.00 176.35 174.10 3g1u n PRO 392 N -0.49 1.74 0.25 1.29 -0.02 -1.26 -4.83 135.00 131.68 3g1u n PRO 392 Ca 0.07 0.62 0.17 0.00 -2.02 0.00 0.00 63.50 62.35 3g1u n PRO 392 Cb 0.43 -2.25 0.90 0.00 -0.02 0.00 0.00 33.50 32.56 3g1u n PRO 392 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 3g1u h LYS 393 N 4.23 0.00 0.00 -0.52 1.57 -2.03 -0.23 116.57 119.59 3g1u h LYS 393 Ca -0.45 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.33 3g1u h LYS 393 Cb 1.30 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.61 3g1u h LYS 393 CO 0.76 0.00 0.00 0.00 -0.57 0.00 0.00 179.45 179.64 3g1u h ALA 394 N 1.80 1.00 0.00 3.86 0.00 -2.02 -2.81 119.26 121.09 3g1u h ALA 394 Ca 0.05 0.00 -0.14 0.00 0.00 0.00 0.00 54.91 54.82 3g1u h ALA 394 Cb 0.35 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 3g1u h ALA 394 CO -0.00 0.00 -0.66 -0.07 0.00 0.00 0.00 179.25 178.52 3g1u h LEU 395 N 0.00 0.00 -0.31 0.00 3.38 -1.38 -2.87 115.31 114.13 3g1u h LEU 395 Ca 0.00 0.00 0.04 0.00 0.09 0.00 0.00 57.88 58.01 3g1u h LEU 395 Cb 0.41 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.13 3g1u h LEU 395 CO 0.00 0.66 0.09 0.44 0.09 0.00 0.00 178.44 179.72 3g1u h ASP 396 N 0.00 0.08 -0.26 -0.43 5.19 -1.64 -0.22 116.42 119.15 3g1u h ASP 396 Ca -0.01 0.04 0.03 0.00 -0.62 0.00 0.00 57.03 56.47 3g1u h ASP 396 Cb 1.33 0.04 -0.03 0.00 0.18 0.00 0.00 39.33 40.84 3g1u h ASP 396 CO 0.09 0.08 0.06 -0.08 -3.12 0.00 0.00 179.24 176.27 3g1u h GLU 397 N 0.22 0.16 -0.40 3.56 4.81 -1.66 -2.53 114.58 118.74 3g1u h GLU 397 Ca 0.14 -0.01 0.01 0.00 -0.13 0.00 0.00 59.36 59.37 3g1u h GLU 397 Cb 0.13 -0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.44 3g1u h GLU 397 CO -0.16 0.11 0.25 -0.22 -0.73 0.00 0.00 179.01 178.25 3g1u h LYS 398 N 0.17 0.49 0.11 1.92 3.64 -1.22 -1.04 116.57 120.64 3g1u h LYS 398 Ca 0.12 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.46 3g1u h LYS 398 Cb 0.11 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 31.82 3g1u h LYS 398 CO -0.14 0.32 -0.05 0.28 -2.27 0.00 0.00 179.45 177.59 3g1u h VAL 399 N 0.50 0.94 -0.31 2.00 2.07 -1.02 -2.63 116.25 117.80 3g1u h VAL 399 Ca 0.16 -0.17 0.06 0.00 0.82 0.00 0.00 66.70 67.57 3g1u h VAL 399 Cb -0.01 1.05 -0.06 0.00 -1.52 0.00 0.00 31.29 30.75 3g1u h VAL 399 CO -0.06 0.04 -0.09 0.00 0.02 0.00 0.00 177.57 177.48 3g1u h ALA 400 N 0.66 0.18 -0.85 1.67 0.00 -1.38 -2.18 119.26 117.35 3g1u h ALA 400 Ca -0.02 0.12 0.16 0.00 0.00 0.00 0.00 54.91 55.18 3g1u h ALA 400 Cb 0.18 0.26 -0.06 0.00 0.00 0.00 0.00 17.79 18.17 3g1u h ALA 400 CO 0.02 -0.48 0.56 0.00 0.00 0.00 0.00 179.25 179.35 3g1u h ALA 401 N 1.27 2.02 0.00 0.00 0.00 -1.02 -0.40 119.26 121.14 3g1u h ALA 401 Ca 0.15 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.07 3g1u h ALA 401 Cb 0.25 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.97 3g1u h ALA 401 CO -0.33 -0.27 0.00 -0.07 0.00 0.00 0.00 179.25 178.58 3g1u h LEU 402 N 0.53 0.00 -0.94 0.00 3.38 -1.02 -3.03 115.31 114.23 3g1u h LEU 402 Ca 0.43 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.40 3g1u h LEU 402 Cb 0.89 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.64 3g1u h LEU 402 CO -0.17 0.00 -0.47 1.41 0.09 0.00 0.00 178.44 179.30 3g1u n HIS 403 N -2.77 0.00 -0.07 1.13 8.25 -0.16 -4.47 115.22 117.13 3g1u n HIS 403 Ca -0.01 0.00 -0.15 0.00 -0.26 0.00 0.00 57.72 57.30 3g1u n HIS 403 Cb 0.16 0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.22 3g1u n HIS 403 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 3g1u h LEU 404 N 2.24 0.93 -0.68 2.41 3.38 -1.55 -3.21 115.31 118.83 3g1u h LEU 404 Ca 0.00 -0.55 0.00 0.00 0.09 0.00 0.00 57.88 57.42 3g1u h LEU 404 Cb 0.71 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 41.16 3g1u h LEU 404 CO 0.00 1.31 0.44 0.00 0.09 0.00 0.00 178.44 180.28 3g1u h ALA 405 N 0.64 0.86 -0.98 1.53 0.00 -1.81 -1.70 119.26 117.81 3g1u h ALA 405 Ca 0.00 -0.06 0.16 0.00 0.00 0.00 0.00 54.91 55.01 3g1u h ALA 405 Cb 1.18 -0.28 -0.10 0.00 0.00 0.00 0.00 17.79 18.59 3g1u h ALA 405 CO 0.12 0.30 0.60 1.25 0.00 0.00 0.00 179.25 181.52 3g1u h HIS 406 N 0.92 1.06 -0.06 0.00 -0.00 -1.85 -0.29 115.15 114.92 3g1u h HIS 406 Ca 0.25 0.03 0.00 0.00 -0.00 0.00 0.00 60.37 60.65 3g1u h HIS 406 Cb -0.09 -0.32 0.00 0.00 -0.00 0.00 0.00 27.41 27.00 3g1u h HIS 406 CO -0.02 0.31 0.00 1.33 -0.00 0.00 0.00 177.93 179.55 3g1u n VAL 407 N -4.73 0.06 -2.70 5.26 0.24 -1.04 -4.95 118.33 110.48 3g1u n VAL 407 Ca 0.21 -0.35 -0.12 0.00 -2.04 0.00 0.00 64.34 62.04 3g1u n VAL 407 Cb 0.47 0.75 0.02 0.00 -1.47 0.00 0.00 33.84 33.61 3g1u n VAL 407 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3g1u n GLY 408 N 1.23 0.07 3.67 7.63 0.00 -0.12 -5.01 105.19 112.66 3g1u n GLY 408 Ca 0.17 -0.29 -0.39 0.00 0.00 0.00 0.00 46.02 45.51 3g1u n GLY 408 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3g1u s ALA 409 N -2.90 3.52 -0.30 4.61 0.00 -0.70 -5.03 121.76 120.96 3g1u s ALA 409 Ca 0.18 -0.28 -0.09 0.00 0.00 0.00 0.00 51.96 51.76 3g1u s ALA 409 Cb -0.08 -2.86 -0.01 0.00 0.00 0.00 0.00 23.12 20.17 3g1u s ALA 409 CO 0.22 -0.40 0.14 0.15 0.00 0.00 0.00 175.76 175.87 3g1u s LYS 410 N 1.54 3.39 0.18 0.00 1.02 -1.26 -4.60 119.74 120.00 3g1u s LYS 410 Ca 0.27 -0.68 -0.30 0.00 0.02 0.00 0.00 55.97 55.28 3g1u s LYS 410 Cb -0.16 -3.52 -0.07 0.00 -0.52 0.00 0.00 37.83 33.56 3g1u s LYS 410 CO 0.11 -0.38 0.96 -1.17 -0.92 0.00 0.00 175.35 173.95 3g1u s LEU 411 N 1.61 4.57 0.12 3.17 2.96 -1.26 -5.04 118.68 124.82 3g1u s LEU 411 Ca 0.05 1.89 -0.29 0.00 -0.22 0.00 0.00 54.13 55.55 3g1u s LEU 411 Cb -0.17 -3.60 -0.06 0.00 0.50 0.00 0.00 46.19 42.86 3g1u s LEU 411 CO 0.06 0.04 0.93 -0.89 -1.32 0.00 0.00 176.35 175.17 3g1u s THR 412 N -0.61 4.46 -0.08 3.68 2.01 -1.26 -5.05 115.64 118.79 3g1u s THR 412 Ca 0.44 2.02 -0.23 0.00 0.31 0.00 0.00 61.69 64.23 3g1u s THR 412 Cb -0.25 -4.30 -0.03 0.00 0.01 0.00 0.00 72.50 67.93 3g1u s THR 412 CO 0.31 0.36 0.69 -0.54 -0.69 0.00 0.00 174.62 174.74 3g1u s LYS 413 N -0.21 4.41 0.34 4.92 -0.14 -1.26 -5.06 119.74 122.74 3g1u s LYS 413 Ca 0.45 0.84 -0.28 0.00 -1.36 0.00 0.00 55.97 55.62 3g1u s LYS 413 Cb -0.23 -3.46 -0.10 0.00 -1.68 0.00 0.00 37.83 32.36 3g1u s LYS 413 CO 0.29 0.03 1.23 -0.51 -0.76 0.00 0.00 175.35 175.62 3g1u s LEU 414 N 0.94 4.38 0.76 3.17 1.43 -1.26 -5.04 118.68 123.06 3g1u s LEU 414 Ca 0.36 2.51 -0.11 0.00 -1.03 0.00 0.00 54.13 55.86 3g1u s LEU 414 Cb -0.17 -3.76 0.05 0.00 0.03 0.00 0.00 46.19 42.33 3g1u s LEU 414 CO 0.17 -0.51 1.08 0.42 0.23 0.00 0.00 176.35 177.74 3g1u s THR 415 N -1.23 3.49 0.33 5.49 -4.23 -1.26 -4.83 115.64 113.40 3g1u s THR 415 Ca 0.51 0.48 0.07 0.00 -1.18 0.00 0.00 61.69 61.57 3g1u s THR 415 Cb -0.36 -3.09 0.31 0.00 1.34 0.00 0.00 72.50 70.71 3g1u s THR 415 CO 0.46 -0.63 1.84 -0.65 -0.54 0.00 0.00 174.62 175.10 3g1u h PRO 416 N -1.02 0.75 -0.38 3.99 0.11 -2.01 -1.68 132.00 131.77 3g1u h PRO 416 Ca -0.45 -0.05 -0.13 0.00 0.11 0.00 0.00 66.00 65.49 3g1u h PRO 416 Cb 1.23 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 32.16 3g1u h PRO 416 CO 0.54 0.50 -0.28 -0.22 -0.21 0.00 0.00 178.00 178.33 3g1u h LYS 417 N 0.77 0.81 -0.68 1.05 3.64 -1.94 -3.13 116.57 117.10 3g1u h LYS 417 Ca 0.49 -0.36 -0.07 0.00 -1.27 0.00 0.00 60.65 59.44 3g1u h LYS 417 Cb 0.72 -0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 32.49 3g1u h LYS 417 CO -0.25 0.99 0.16 1.96 -2.27 0.00 0.00 179.45 180.04 3g1u h GLN 418 N 0.69 1.08 -0.81 1.90 4.20 -1.74 -3.14 115.11 117.29 3g1u h GLN 418 Ca 0.08 -0.25 0.10 0.00 0.06 0.00 0.00 58.65 58.64 3g1u h GLN 418 Cb 0.82 -0.14 -0.08 0.00 0.30 0.00 0.00 27.48 28.38 3g1u h GLN 418 CO 0.07 0.96 0.45 0.00 -0.67 0.00 0.00 178.83 179.63 3g1u h ALA 419 N 1.14 1.16 -0.02 3.87 0.00 -1.27 -3.48 119.26 120.66 3g1u h ALA 419 Ca 0.21 0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.17 3g1u h ALA 419 Cb 0.37 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.06 3g1u h ALA 419 CO 0.00 0.04 0.00 -0.85 0.00 0.00 0.00 179.25 178.44