#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2sqc n PRO 9 N 0.00 -0.20 -0.26 0.00 -0.04 -1.26 -4.84 135.00 128.40 2sqc n PRO 9 Ca 0.00 -0.01 0.01 0.00 -0.04 0.00 0.00 63.50 63.46 2sqc n PRO 9 Cb 0.00 -1.99 0.13 0.00 -0.04 0.00 0.00 33.50 31.60 2sqc n PRO 9 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2sqc h ALA 10 N -1.40 1.03 -0.16 0.55 0.00 -2.03 -1.86 119.26 115.39 2sqc h ALA 10 Ca -0.44 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.49 2sqc h ALA 10 Cb 1.29 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.95 2sqc h ALA 10 CO 0.37 0.08 0.06 0.10 0.00 0.00 0.00 179.25 179.86 2sqc h TYR 11 N 0.74 0.21 -0.35 0.00 -0.00 -1.94 -1.90 116.97 113.73 2sqc h TYR 11 Ca 0.35 -0.00 -0.13 0.00 0.00 0.00 0.00 58.73 58.94 2sqc h TYR 11 Cb 0.27 -0.07 -0.01 0.00 0.00 0.00 0.00 36.73 36.92 2sqc h TYR 11 CO -0.07 0.17 -0.32 0.00 -0.00 0.00 0.00 178.16 177.94 2sqc h ALA 12 N 1.85 0.78 -0.15 0.10 0.00 -1.68 -0.33 119.26 119.83 2sqc h ALA 12 Ca 0.06 -0.41 -0.17 0.00 0.00 0.00 0.00 54.91 54.38 2sqc h ALA 12 Cb 0.06 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.71 2sqc h ALA 12 CO -0.01 0.65 -0.63 0.00 0.00 0.00 0.00 179.25 179.27 2sqc h ARG 13 N 0.65 0.54 -0.44 0.00 3.08 -1.48 -1.16 114.38 115.57 2sqc h ARG 13 Ca 0.07 -0.38 -0.01 0.00 0.07 0.00 0.00 59.98 59.73 2sqc h ARG 13 Cb 0.85 0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.94 2sqc h ARG 13 CO 0.07 1.00 0.23 1.15 -1.07 0.00 0.00 179.97 181.36 2sqc h THR 14 N 0.40 1.16 -0.27 2.04 2.02 -1.23 -1.75 112.91 115.29 2sqc h THR 14 Ca -0.01 -0.44 0.02 0.00 0.77 0.00 0.00 66.41 66.75 2sqc h THR 14 Cb 1.19 0.65 -0.02 0.00 -1.74 0.00 0.00 68.15 68.23 2sqc h THR 14 CO 0.12 0.17 0.12 0.25 0.37 0.00 0.00 175.52 176.55 2sqc h LEU 15 N 0.57 0.17 -0.61 2.58 6.46 -0.89 -0.69 115.31 122.91 2sqc h LEU 15 Ca 0.15 0.02 0.09 0.00 -0.12 0.00 0.00 57.88 58.02 2sqc h LEU 15 Cb 0.07 -0.01 -0.07 0.00 -0.73 0.00 0.00 40.66 39.92 2sqc h LEU 15 CO -0.02 0.13 0.25 0.44 -0.62 0.00 0.00 178.44 178.62 2sqc h ASP 16 N 0.26 0.28 -0.17 1.25 3.32 -0.88 0.31 116.42 120.79 2sqc h ASP 16 Ca 0.11 0.07 -0.09 0.00 0.02 0.00 0.00 57.03 57.14 2sqc h ASP 16 Cb 0.05 0.03 -0.02 0.00 0.22 0.00 0.00 39.33 39.62 2sqc h ASP 16 CO -0.09 0.17 -0.17 0.03 -1.72 0.00 0.00 179.24 177.46 2sqc h ARG 17 N 0.45 0.57 -0.41 3.56 3.08 -0.93 -1.92 114.38 118.78 2sqc h ARG 17 Ca 0.30 -0.19 -0.11 0.00 0.07 0.00 0.00 59.98 60.05 2sqc h ARG 17 Cb 0.34 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.33 2sqc h ARG 17 CO -0.28 0.72 -0.19 0.00 -1.07 0.00 0.00 179.97 179.15 2sqc h ALA 18 N 1.30 0.58 -0.23 0.04 0.00 -0.15 -1.24 119.26 119.56 2sqc h ALA 18 Ca 0.09 -0.37 -0.00 0.00 0.00 0.00 0.00 54.91 54.63 2sqc h ALA 18 Cb 0.58 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 2sqc h ALA 18 CO 0.04 0.53 0.14 0.28 0.00 0.00 0.00 179.25 180.24 2sqc h VAL 19 N 0.67 1.09 -0.62 0.00 2.07 -0.84 0.40 116.25 119.02 2sqc h VAL 19 Ca 0.09 -0.21 -0.00 0.00 0.82 0.00 0.00 66.70 67.40 2sqc h VAL 19 Cb 0.75 0.80 -0.03 0.00 -1.52 0.00 0.00 31.29 31.29 2sqc h VAL 19 CO 0.06 0.08 0.37 -0.33 0.02 0.00 0.00 177.57 177.78 2sqc h GLU 20 N 0.29 0.85 -0.07 1.57 5.08 -1.26 -0.69 114.58 120.35 2sqc h GLU 20 Ca 0.08 -0.08 -0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2sqc h GLU 20 Cb 0.01 -0.18 -0.00 0.00 0.50 0.00 0.00 28.75 29.08 2sqc h GLU 20 CO -0.02 0.61 0.03 -0.92 -1.00 0.00 0.00 179.01 177.72 2sqc h TYR 21 N 0.85 0.10 -0.67 4.33 3.20 -0.95 -1.29 116.97 122.55 2sqc h TYR 21 Ca 0.22 -0.01 0.01 0.00 3.14 0.00 0.00 58.73 62.09 2sqc h TYR 21 Cb -0.02 -0.03 -0.03 0.00 1.54 0.00 0.00 36.73 38.19 2sqc h TYR 21 CO -0.02 0.21 0.44 1.25 -1.64 0.00 0.00 178.16 178.41 2sqc h LEU 22 N -0.03 0.76 -1.36 2.82 5.85 -0.68 -1.19 115.31 121.47 2sqc h LEU 22 Ca 0.02 -0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.71 2sqc h LEU 22 Cb 0.15 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 40.97 2sqc h LEU 22 CO -0.00 0.55 0.23 -0.07 -0.34 0.00 0.00 178.44 178.81 2sqc h LEU 23 N 0.90 0.59 -1.09 2.25 3.38 -1.03 -1.58 115.31 118.74 2sqc h LEU 23 Ca 0.24 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.16 2sqc h LEU 23 Cb -0.11 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.49 2sqc h LEU 23 CO -0.05 0.51 0.00 0.77 0.09 0.00 0.00 178.44 179.76 2sqc h SER 24 N 0.67 0.00 1.14 -0.43 4.64 -0.01 -2.51 113.55 117.05 2sqc h SER 24 Ca 0.17 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.49 2sqc h SER 24 Cb 0.07 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.16 2sqc h SER 24 CO -0.02 0.00 -0.36 0.00 -0.87 0.00 0.00 176.83 175.58 2sqc s GLN 26 N -3.14 4.23 0.62 0.00 0.74 -0.95 -4.72 119.66 116.44 2sqc s GLN 26 Ca 0.08 2.39 -0.12 0.00 0.05 0.00 0.00 55.36 57.76 2sqc s GLN 26 Cb 0.13 -3.05 -0.03 0.00 1.10 0.00 0.00 33.01 31.15 2sqc s GLN 26 CO 0.67 -0.43 1.03 0.15 -0.55 0.00 0.00 175.29 176.16 2sqc s LYS 27 N -1.13 3.46 0.26 1.67 3.01 0.20 -4.94 119.74 122.26 2sqc s LYS 27 Ca 0.56 0.86 -0.02 0.00 -1.01 0.00 0.00 55.97 56.36 2sqc s LYS 27 Cb -0.43 -2.06 0.45 0.00 -1.01 0.00 0.00 37.83 34.78 2sqc s LYS 27 CO 0.51 -0.68 1.83 -0.44 0.51 0.00 0.00 175.35 177.08 2sqc h ASP 28 N -0.20 0.83 0.61 2.83 3.32 -1.94 0.21 116.42 122.06 2sqc h ASP 28 Ca -0.44 0.04 0.00 0.00 0.02 0.00 0.00 57.03 56.65 2sqc h ASP 28 Cb 1.20 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 40.62 2sqc h ASP 28 CO 0.60 0.47 0.00 -0.62 -1.72 0.00 0.00 179.24 177.97 2sqc n GLU 29 N -4.66 0.19 0.00 3.56 1.02 -1.26 -4.88 120.64 114.62 2sqc n GLU 29 Ca 0.16 0.47 0.00 0.00 -0.02 0.00 0.00 57.16 57.77 2sqc n GLU 29 Cb 0.29 -1.90 0.00 0.00 -0.02 0.00 0.00 31.44 29.80 2sqc n GLU 29 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2sqc n GLY 30 N -0.23 1.71 3.99 0.62 0.00 0.73 -4.78 105.19 107.22 2sqc n GLY 30 Ca 0.01 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.84 2sqc n GLY 30 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2sqc s TYR 31 N -2.04 2.98 0.16 1.61 -0.85 -1.26 -3.85 117.35 114.09 2sqc s TYR 31 Ca 0.00 -0.17 0.07 0.00 -0.52 0.00 0.00 57.07 56.45 2sqc s TYR 31 Cb 0.00 -2.32 -0.04 0.00 0.38 0.00 0.00 41.96 39.98 2sqc s TYR 31 CO 0.00 -0.37 -0.03 -1.58 -1.52 0.00 0.00 175.55 172.05 2sqc s TRP 32 N -2.40 2.82 -0.30 -3.49 0.51 -1.26 -0.62 118.94 114.19 2sqc s TRP 32 Ca 0.51 -0.14 -0.04 0.00 -2.12 0.00 0.00 56.10 54.31 2sqc s TRP 32 Cb -0.10 -1.39 0.17 0.00 -0.81 0.00 0.00 33.47 31.34 2sqc s TRP 32 CO 0.34 0.50 0.63 -0.46 -0.51 0.00 0.00 176.95 177.45 2sqc s TRP 33 N -1.61 -1.50 0.19 -1.98 -0.00 -1.26 -3.99 118.94 108.80 2sqc s TRP 33 Ca 0.26 1.85 0.08 0.00 -0.00 0.00 0.00 56.10 58.29 2sqc s TRP 33 Cb -0.10 0.62 -0.04 0.00 -0.00 0.00 0.00 33.47 33.96 2sqc s TRP 33 CO 0.17 -0.80 0.01 0.20 -0.00 0.00 0.00 176.95 176.53 2sqc s GLY 34 N 2.87 1.70 0.51 5.86 0.00 -1.26 -5.03 107.32 111.96 2sqc s GLY 34 Ca 0.13 -1.42 -0.23 0.00 0.00 0.00 0.00 44.72 43.20 2sqc s GLY 34 CO -0.20 -1.44 1.29 -1.05 0.00 0.00 0.00 173.10 171.70 2sqc n PRO 35 N -0.30 1.72 -3.72 2.90 -0.02 -1.26 -4.59 135.00 129.73 2sqc n PRO 35 Ca -0.09 0.62 -0.38 0.00 -2.02 0.00 0.00 63.50 61.63 2sqc n PRO 35 Cb 0.56 -2.47 -0.12 0.00 -0.02 0.00 0.00 33.50 31.45 2sqc n PRO 35 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 2sqc s LEU 36 N -2.67 4.21 0.22 2.45 2.96 -1.26 -2.90 118.68 121.69 2sqc s LEU 36 Ca 0.68 -0.91 -0.09 0.00 -0.22 0.00 0.00 54.13 53.58 2sqc s LEU 36 Cb -0.45 -1.91 -0.07 0.00 0.50 0.00 0.00 46.19 44.26 2sqc s LEU 36 CO 0.52 -0.28 0.53 -0.76 -1.32 0.00 0.00 176.35 175.04 2sqc s LEU 37 N 1.48 4.18 0.00 -0.68 1.43 -0.06 -4.27 118.68 120.76 2sqc s LEU 37 Ca 0.01 0.89 0.00 0.00 -1.03 0.00 0.00 54.13 54.00 2sqc s LEU 37 Cb -0.18 -3.64 0.00 0.00 0.03 0.00 0.00 46.19 42.40 2sqc s LEU 37 CO 0.04 -0.06 0.00 -1.54 0.23 0.00 0.00 176.35 175.02 2sqc n SER 38 N -0.10 0.00 -3.95 2.29 3.41 -1.26 -0.77 113.62 113.24 2sqc n SER 38 Ca 0.00 0.00 -0.13 0.00 -0.26 0.00 0.00 58.87 58.48 2sqc n SER 38 Cb 0.52 0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 64.39 2sqc n SER 38 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2sqc s ASN 39 N 1.32 0.40 0.00 4.04 2.20 -1.26 -4.73 114.94 116.91 2sqc s ASN 39 Ca 0.00 -1.37 0.23 0.00 -0.94 0.00 0.00 52.86 50.79 2sqc s ASN 39 Cb 0.00 0.47 1.23 0.00 -2.00 0.00 0.00 41.25 40.95 2sqc s ASN 39 CO 0.00 -0.97 1.77 1.33 -2.94 0.00 0.00 177.10 176.29 2sqc n VAL 40 N -0.37 0.21 0.26 3.54 0.24 -1.26 -3.05 118.33 117.91 2sqc n VAL 40 Ca 0.02 0.05 0.13 0.00 -2.04 0.00 0.00 64.34 62.51 2sqc n VAL 40 Cb 0.64 -0.67 0.73 0.00 -1.47 0.00 0.00 33.84 33.07 2sqc n VAL 40 CO 0.00 0.00 0.00 0.71 -2.14 0.00 0.00 176.83 175.40 2sqc h THR 41 N 0.00 0.48 -0.17 3.34 1.35 -1.96 0.15 112.91 116.10 2sqc h THR 41 Ca 0.00 -0.57 0.00 0.00 -0.55 0.00 0.00 66.41 65.29 2sqc h THR 41 Cb 0.17 1.39 -0.01 0.00 -1.73 0.00 0.00 68.15 67.97 2sqc h THR 41 CO 0.00 0.11 0.11 0.24 -0.25 0.00 0.00 175.52 175.73 2sqc h MET 42 N 0.00 0.23 0.04 4.72 2.86 -1.88 -1.33 114.93 119.57 2sqc h MET 42 Ca -0.00 -0.02 -0.23 0.00 -2.06 0.00 0.00 59.70 57.39 2sqc h MET 42 Cb 0.38 -0.05 -0.02 0.00 0.06 0.00 0.00 31.60 31.97 2sqc h MET 42 CO 0.01 0.18 -1.06 0.93 1.06 0.00 0.00 176.91 178.04 2sqc h GLU 43 N 0.22 0.10 -0.55 1.72 3.07 -1.71 -1.79 114.58 115.64 2sqc h GLU 43 Ca 0.06 -0.16 -0.10 0.00 -0.50 0.00 0.00 59.36 58.66 2sqc h GLU 43 Cb 0.00 0.06 -0.02 0.00 -0.84 0.00 0.00 28.75 27.95 2sqc h GLU 43 CO -0.01 1.06 -0.04 0.00 -1.40 0.00 0.00 179.01 178.62 2sqc h ALA 44 N 0.87 0.90 0.00 3.43 0.00 -0.92 -1.41 119.26 122.13 2sqc h ALA 44 Ca -0.05 -0.31 -0.12 0.00 0.00 0.00 0.00 54.91 54.42 2sqc h ALA 44 Cb 1.80 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 19.37 2sqc h ALA 44 CO 0.15 0.65 -0.57 0.93 0.00 0.00 0.00 179.25 180.41 2sqc h GLU 45 N 0.88 0.00 -0.41 0.00 5.08 -1.21 -2.18 114.58 116.74 2sqc h GLU 45 Ca 0.15 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.40 2sqc h GLU 45 Cb 0.57 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.81 2sqc h GLU 45 CO 0.03 0.57 -0.19 -0.92 -1.00 0.00 0.00 179.01 177.50 2sqc h TYR 46 N 0.00 0.89 -0.05 4.33 3.20 -0.81 0.26 116.97 124.78 2sqc h TYR 46 Ca -0.01 -0.19 0.01 0.00 3.14 0.00 0.00 58.73 61.68 2sqc h TYR 46 Cb 1.06 -0.22 -0.01 0.00 1.54 0.00 0.00 36.73 39.11 2sqc h TYR 46 CO 0.00 0.91 0.01 0.28 -1.64 0.00 0.00 178.16 177.72 2sqc h VAL 47 N 0.69 0.98 -0.44 1.81 2.07 -0.92 0.56 116.25 121.00 2sqc h VAL 47 Ca 0.10 -0.01 -0.05 0.00 0.82 0.00 0.00 66.70 67.56 2sqc h VAL 47 Cb 0.70 0.94 -0.02 0.00 -1.52 0.00 0.00 31.29 31.39 2sqc h VAL 47 CO 0.05 0.01 0.05 -0.07 0.02 0.00 0.00 177.57 177.63 2sqc h LEU 48 N 0.03 0.65 -0.50 2.57 3.38 -1.09 -0.89 115.31 119.46 2sqc h LEU 48 Ca 0.02 -0.13 -0.01 0.00 0.09 0.00 0.00 57.88 57.86 2sqc h LEU 48 Cb 0.02 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.57 2sqc h LEU 48 CO -0.03 0.69 0.28 0.25 0.09 0.00 0.00 178.44 179.72 2sqc h LEU 49 N 0.66 0.61 -0.96 1.67 5.85 -0.12 0.89 115.31 123.91 2sqc h LEU 49 Ca 0.14 -0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.79 2sqc h LEU 49 Cb 0.34 -0.16 -0.05 0.00 0.37 0.00 0.00 40.66 41.17 2sqc h LEU 49 CO 0.01 0.51 0.62 0.00 -0.34 0.00 0.00 178.44 179.24 2sqc h HIS 51 N 1.31 -0.47 -0.93 0.00 -0.00 -0.67 0.38 115.15 114.77 2sqc h HIS 51 Ca 0.35 -0.01 0.05 0.00 -0.00 0.00 0.00 60.37 60.76 2sqc h HIS 51 Cb -0.12 0.15 -0.06 0.00 -0.00 0.00 0.00 27.41 27.39 2sqc h HIS 51 CO -0.00 -0.29 0.60 0.82 -0.00 0.00 0.00 177.93 179.06 2sqc h ILE 52 N -0.51 1.11 -0.01 6.26 2.04 -0.38 -2.04 117.51 123.99 2sqc h ILE 52 Ca -0.05 -0.38 0.00 0.00 1.00 0.00 0.00 64.86 65.42 2sqc h ILE 52 Cb 0.39 -0.11 0.00 0.00 -0.74 0.00 0.00 36.82 36.36 2sqc h ILE 52 CO 0.08 0.20 0.00 0.18 0.00 0.00 0.00 178.15 178.62 2sqc n LEU 53 N -4.53 0.82 -3.59 1.44 4.77 -0.08 -4.93 117.00 110.90 2sqc n LEU 53 Ca 0.13 -0.27 -0.22 0.00 -0.03 0.00 0.00 56.01 55.61 2sqc n LEU 53 Cb 0.14 -0.00 0.07 0.00 -2.33 0.00 0.00 43.42 41.30 2sqc n LEU 53 CO 0.33 0.14 0.16 -0.67 -1.33 0.00 0.00 177.39 176.02 2sqc n ASP 54 N -0.36 -4.37 -3.18 -1.43 2.03 -0.13 -4.94 116.55 104.18 2sqc n ASP 54 Ca 0.21 -0.61 -0.21 0.00 0.52 0.00 0.00 54.79 54.70 2sqc n ASP 54 Cb 0.24 -4.87 -0.05 0.00 -0.72 0.00 0.00 41.12 35.73 2sqc n ASP 54 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 2sqc n ARG 55 N -4.63 1.16 -3.21 -0.67 1.74 -0.07 -5.03 116.66 105.96 2sqc n ARG 55 Ca -0.11 -3.53 -0.42 0.00 -0.77 0.00 0.00 57.85 53.03 2sqc n ARG 55 Cb 0.60 -1.62 -0.08 0.00 -1.02 0.00 0.00 32.46 30.35 2sqc n ARG 55 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 2sqc s VAL 56 N -2.19 4.97 -0.42 1.55 1.01 -1.25 -4.75 120.40 119.31 2sqc s VAL 56 Ca 0.39 0.27 -0.18 0.00 0.00 0.00 0.00 61.98 62.46 2sqc s VAL 56 Cb 0.27 -4.03 0.02 0.00 0.00 0.00 0.00 36.38 32.64 2sqc s VAL 56 CO -0.09 -0.32 0.47 -0.62 0.00 0.00 0.00 175.10 174.54 2sqc s ASP 57 N 1.81 6.22 0.25 3.32 -1.08 -1.26 -4.99 116.67 120.94 2sqc s ASP 57 Ca 0.20 -0.58 -0.03 0.00 -0.52 0.00 0.00 52.55 51.62 2sqc s ASP 57 Cb -0.15 -2.24 0.46 0.00 -1.46 0.00 0.00 42.92 39.53 2sqc s ASP 57 CO 0.15 -0.60 1.78 -0.09 0.52 0.00 0.00 175.17 176.92 2sqc h ARG 58 N 8.73 0.65 -0.59 4.34 2.43 -1.99 0.11 114.38 128.06 2sqc h ARG 58 Ca -0.26 -0.04 -0.07 0.00 -0.81 0.00 0.00 59.98 58.80 2sqc h ARG 58 Cb 1.11 -0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 30.49 2sqc h ARG 58 CO 0.81 0.43 0.09 -0.44 -1.51 0.00 0.00 179.97 179.35 2sqc h ASP 59 N 0.67 0.94 -0.66 -3.80 3.32 -2.00 -1.59 116.42 113.30 2sqc h ASP 59 Ca 0.43 -0.26 -0.05 0.00 0.02 0.00 0.00 57.03 57.16 2sqc h ASP 59 Cb 0.52 -0.25 -0.03 0.00 0.22 0.00 0.00 39.33 39.79 2sqc h ASP 59 CO -0.31 0.96 0.20 -0.09 -1.72 0.00 0.00 179.24 178.28 2sqc h ARG 60 N 0.88 1.03 -0.85 3.56 9.65 -1.77 -2.25 114.38 124.63 2sqc h ARG 60 Ca 0.18 -0.22 0.02 0.00 -1.10 0.00 0.00 59.98 58.86 2sqc h ARG 60 Cb 0.43 -0.15 -0.05 0.00 -1.39 0.00 0.00 29.97 28.81 2sqc h ARG 60 CO 0.01 0.90 0.56 0.52 2.80 0.00 0.00 179.97 184.76 2sqc h MET 61 N 0.97 1.07 -0.56 0.20 2.86 -0.69 0.28 114.93 119.06 2sqc h MET 61 Ca 0.21 -0.06 0.00 0.00 -2.06 0.00 0.00 59.70 57.79 2sqc h MET 61 Cb 0.30 -0.24 -0.03 0.00 0.06 0.00 0.00 31.60 31.69 2sqc h MET 61 CO -0.01 0.71 0.35 1.49 1.06 0.00 0.00 176.91 180.52 2sqc h GLU 62 N 1.11 0.74 -0.31 1.72 4.22 -1.04 0.14 114.58 121.17 2sqc h GLU 62 Ca 0.33 -0.06 -0.09 0.00 0.08 0.00 0.00 59.36 59.62 2sqc h GLU 62 Cb -0.05 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.02 2sqc h GLU 62 CO -0.10 0.51 -0.20 0.87 -2.18 0.00 0.00 179.01 177.92 2sqc h LYS 63 N 0.75 0.57 -0.51 1.92 1.57 -0.77 -1.21 116.57 118.90 2sqc h LYS 63 Ca 0.20 -0.20 -0.11 0.00 -1.87 0.00 0.00 60.65 58.67 2sqc h LYS 63 Cb -0.05 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.20 2sqc h LYS 63 CO -0.04 0.74 -0.12 0.82 -0.57 0.00 0.00 179.45 180.28 2sqc h ILE 64 N 0.51 1.27 -0.27 1.86 2.04 -0.56 -0.88 117.51 121.49 2sqc h ILE 64 Ca 0.08 -1.27 0.04 0.00 1.00 0.00 0.00 64.86 64.72 2sqc h ILE 64 Cb 0.63 1.04 -0.04 0.00 -0.74 0.00 0.00 36.82 37.71 2sqc h ILE 64 CO 0.04 0.44 0.01 -0.09 0.00 0.00 0.00 178.15 178.56 2sqc h ARG 65 N 0.84 0.10 -0.75 2.37 2.43 -0.41 0.31 114.38 119.28 2sqc h ARG 65 Ca 0.13 -0.01 0.03 0.00 -0.81 0.00 0.00 59.98 59.32 2sqc h ARG 65 Cb 0.68 -0.02 -0.05 0.00 -0.42 0.00 0.00 29.97 30.17 2sqc h ARG 65 CO 0.05 0.06 0.47 -0.09 -1.51 0.00 0.00 179.97 178.96 2sqc h ARG 66 N 0.10 0.90 -0.31 0.20 2.43 -1.06 -1.07 114.38 115.58 2sqc h ARG 66 Ca 0.13 -0.05 -0.07 0.00 -0.81 0.00 0.00 59.98 59.18 2sqc h ARG 66 Cb 0.16 -0.20 -0.01 0.00 -0.42 0.00 0.00 29.97 29.50 2sqc h ARG 66 CO -0.20 0.60 -0.07 -0.92 -1.51 0.00 0.00 179.97 177.86 2sqc h TYR 67 N 0.93 0.66 -0.44 2.20 3.20 -0.37 -1.49 116.97 121.66 2sqc h TYR 67 Ca 0.30 -0.14 0.05 0.00 3.14 0.00 0.00 58.73 62.07 2sqc h TYR 67 Cb 0.00 -0.16 -0.04 0.00 1.54 0.00 0.00 36.73 38.07 2sqc h TYR 67 CO -0.03 0.77 0.19 -0.07 -1.64 0.00 0.00 178.16 177.38 2sqc h LEU 68 N 0.36 0.24 -0.78 2.82 3.38 -0.06 -0.61 115.31 120.66 2sqc h LEU 68 Ca 0.08 0.04 -0.08 0.00 0.09 0.00 0.00 57.88 58.01 2sqc h LEU 68 Cb 0.56 -0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.28 2sqc h LEU 68 CO 0.03 0.18 0.08 -0.07 0.09 0.00 0.00 178.44 178.75 2sqc h LEU 69 N 0.38 0.96 -1.00 1.67 4.07 -1.21 -1.89 115.31 118.29 2sqc h LEU 69 Ca 0.20 -0.23 -0.06 0.00 0.08 0.00 0.00 57.88 57.87 2sqc h LEU 69 Cb 0.15 -0.25 -0.02 0.00 1.08 0.00 0.00 40.66 41.61 2sqc h LEU 69 CO -0.17 0.97 0.05 -0.74 -1.08 0.00 0.00 178.44 177.48 2sqc h HIS 70 N 0.94 0.82 0.00 1.13 2.76 -0.79 -2.66 115.15 117.35 2sqc h HIS 70 Ca 0.19 -0.09 0.00 0.00 -2.20 0.00 0.00 60.37 58.26 2sqc h HIS 70 Cb 0.43 -0.23 0.00 0.00 1.55 0.00 0.00 27.41 29.16 2sqc h HIS 70 CO 0.03 0.73 0.00 0.93 -1.30 0.00 0.00 177.93 178.32 2sqc h GLU 71 N 0.74 0.00 -6.71 5.26 4.39 -0.85 -3.45 114.58 113.96 2sqc h GLU 71 Ca 0.15 0.00 -0.52 0.00 0.34 0.00 0.00 59.36 59.33 2sqc h GLU 71 Cb 0.37 0.00 0.04 0.00 -0.10 0.00 0.00 28.75 29.06 2sqc h GLU 71 CO 0.01 0.00 0.64 -1.14 -1.16 0.00 0.00 179.01 177.36 2sqc s GLN 72 N -3.18 4.40 0.69 2.33 0.74 -0.74 -4.80 119.66 119.10 2sqc s GLN 72 Ca 0.08 2.06 -0.08 0.00 0.05 0.00 0.00 55.36 57.48 2sqc s GLN 72 Cb 0.09 -3.18 0.05 0.00 1.10 0.00 0.00 33.01 31.07 2sqc s GLN 72 CO 0.62 -0.22 1.03 1.03 -0.55 0.00 0.00 175.29 177.19 2sqc s ARG 73 N -0.40 2.42 0.53 1.67 3.00 -0.30 -4.93 118.95 120.95 2sqc s ARG 73 Ca 0.55 -0.04 0.22 0.00 0.00 0.00 0.00 55.73 56.46 2sqc s ARG 73 Cb -0.37 -2.14 1.39 0.00 0.00 0.00 0.00 34.95 33.83 2sqc s ARG 73 CO 0.40 -1.14 2.07 1.49 0.00 0.00 0.00 175.30 178.12 2sqc h GLU 74 N -0.58 0.00 -0.07 3.54 4.57 -1.96 0.61 114.58 120.69 2sqc h GLU 74 Ca -0.45 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.73 2sqc h GLU 74 Cb 1.30 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.89 2sqc h GLU 74 CO 0.62 0.00 0.00 -0.40 -1.18 0.00 0.00 179.01 178.05 2sqc n ASP 75 N -4.36 0.46 0.00 1.04 5.68 -1.26 -4.88 116.55 113.23 2sqc n ASP 75 Ca 0.04 -1.84 0.00 0.00 -0.50 0.00 0.00 54.79 52.49 2sqc n ASP 75 Cb 0.37 -0.05 0.00 0.00 -1.14 0.00 0.00 41.12 40.30 2sqc n ASP 75 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2sqc n GLY 76 N 0.72 0.76 3.84 6.12 0.00 0.21 -4.62 105.19 112.21 2sqc n GLY 76 Ca 0.07 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.87 2sqc n GLY 76 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2sqc s THR 77 N -2.85 3.55 0.21 2.61 -4.23 -1.25 -3.49 115.64 110.18 2sqc s THR 77 Ca 0.00 -1.41 0.10 0.00 -1.18 0.00 0.00 61.69 59.20 2sqc s THR 77 Cb 0.00 -3.18 -0.04 0.00 1.34 0.00 0.00 72.50 70.62 2sqc s THR 77 CO 0.00 -0.19 -0.14 0.26 -0.54 0.00 0.00 174.62 174.02 2sqc s TRP 78 N -2.31 2.51 0.32 3.99 0.51 -1.26 -1.15 118.94 121.55 2sqc s TRP 78 Ca 0.40 -0.27 0.05 0.00 -2.12 0.00 0.00 56.10 54.16 2sqc s TRP 78 Cb -0.06 -1.19 -0.06 0.00 -0.81 0.00 0.00 33.47 31.35 2sqc s TRP 78 CO 0.26 0.56 0.02 0.00 -0.51 0.00 0.00 176.95 177.27 2sqc s ALA 79 N -1.90 2.47 -0.50 0.98 0.00 -1.26 -1.05 121.76 120.49 2sqc s ALA 79 Ca 0.25 -2.05 0.25 0.00 0.00 0.00 0.00 51.96 50.42 2sqc s ALA 79 Cb -0.08 0.45 0.63 0.00 0.00 0.00 0.00 23.12 24.12 2sqc s ALA 79 CO 0.14 -0.21 1.71 -0.07 0.00 0.00 0.00 175.76 177.33 2sqc h LEU 80 N 2.12 0.00 -7.19 0.00 3.38 -1.91 -3.44 115.31 108.26 2sqc h LEU 80 Ca -0.41 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.52 2sqc h LEU 80 Cb 1.24 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 41.86 2sqc h LEU 80 CO 0.71 0.00 0.07 -0.72 0.09 0.00 0.00 178.44 178.59 2sqc s TYR 81 N -3.22 -0.39 0.15 1.13 1.13 -1.26 -4.30 117.35 110.60 2sqc s TYR 81 Ca 0.08 0.17 -0.31 0.00 -1.41 0.00 0.00 57.07 55.59 2sqc s TYR 81 Cb 0.08 0.40 -0.11 0.00 -1.10 0.00 0.00 41.96 41.24 2sqc s TYR 81 CO 0.62 -0.76 1.80 -2.14 -2.51 0.00 0.00 175.55 172.56 2sqc s PRO 82 N -3.59 4.13 0.00 -3.49 0.02 -1.26 -1.04 135.00 129.77 2sqc s PRO 82 Ca 0.01 2.61 0.00 0.00 0.02 0.00 0.00 61.00 63.64 2sqc s PRO 82 Cb 0.00 -3.42 0.00 0.00 0.02 0.00 0.00 34.50 31.10 2sqc s PRO 82 CO -0.11 -0.82 0.00 0.41 -0.33 0.00 0.00 177.00 176.15 2sqc n GLY 83 N 4.16 0.87 3.73 0.52 0.00 -1.26 -4.80 105.19 108.40 2sqc n GLY 83 Ca 0.17 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.90 2sqc n GLY 83 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2sqc s GLY 84 N -2.00 1.58 0.69 -0.02 0.00 -0.21 -5.01 107.32 102.36 2sqc s GLY 84 Ca 0.00 -0.34 -0.15 0.00 0.00 0.00 0.00 44.72 44.22 2sqc s GLY 84 CO 0.00 0.21 1.15 2.56 0.00 0.00 0.00 173.10 177.02 2sqc s PRO 85 N -5.07 2.54 0.24 2.90 0.04 -1.26 -4.83 135.00 129.56 2sqc s PRO 85 Ca 0.64 1.55 -0.31 0.00 0.04 0.00 0.00 61.00 62.91 2sqc s PRO 85 Cb -0.17 -1.90 -0.12 0.00 0.04 0.00 0.00 34.50 32.34 2sqc s PRO 85 CO 0.56 -1.48 1.58 -0.35 0.04 0.00 0.00 177.00 177.35 2sqc n PRO 86 N -2.52 2.50 -4.05 0.56 -0.04 -1.26 -4.49 135.00 125.70 2sqc n PRO 86 Ca 0.12 0.89 -0.35 0.00 -0.04 0.00 0.00 63.50 64.12 2sqc n PRO 86 Cb 0.51 -2.66 -0.13 0.00 -0.04 0.00 0.00 33.50 31.18 2sqc n PRO 86 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 2sqc s ASP 87 N 0.67 4.63 0.06 3.54 2.15 -0.22 -4.98 116.67 122.52 2sqc s ASP 87 Ca 0.70 -0.27 -0.27 0.00 0.43 0.00 0.00 52.55 53.14 2sqc s ASP 87 Cb -0.56 -1.79 -0.17 0.00 -0.30 0.00 0.00 42.92 40.10 2sqc s ASP 87 CO 0.43 0.04 1.59 0.25 -0.17 0.00 0.00 175.17 177.31 2sqc h LEU 88 N 7.67 -0.32 -0.29 -1.34 5.85 -1.94 -1.66 115.31 123.29 2sqc h LEU 88 Ca -0.37 -0.05 0.04 0.00 0.84 0.00 0.00 57.88 58.35 2sqc h LEU 88 Cb 1.17 0.08 -0.04 0.00 0.37 0.00 0.00 40.66 42.25 2sqc h LEU 88 CO 0.60 -0.16 0.03 0.44 -0.34 0.00 0.00 178.44 179.02 2sqc h ASP 89 N -0.46 -0.05 -0.61 1.25 3.32 -1.95 -0.45 116.42 117.46 2sqc h ASP 89 Ca -0.04 0.05 -0.01 0.00 0.02 0.00 0.00 57.03 57.06 2sqc h ASP 89 Cb 0.35 0.09 -0.03 0.00 0.22 0.00 0.00 39.33 39.96 2sqc h ASP 89 CO 0.06 0.01 0.36 0.74 -1.72 0.00 0.00 179.24 178.70 2sqc h THR 90 N 0.13 1.18 -0.48 0.35 2.02 -1.89 -2.17 112.91 112.05 2sqc h THR 90 Ca 0.14 -0.43 -0.06 0.00 0.77 0.00 0.00 66.41 66.83 2sqc h THR 90 Cb 0.16 0.36 -0.02 0.00 -1.74 0.00 0.00 68.15 66.91 2sqc h THR 90 CO -0.20 0.19 0.07 0.74 0.37 0.00 0.00 175.52 176.69 2sqc h THR 91 N 0.83 1.25 -0.05 3.16 2.02 -1.03 -0.97 112.91 118.12 2sqc h THR 91 Ca 0.22 -0.94 0.02 0.00 0.77 0.00 0.00 66.41 66.48 2sqc h THR 91 Cb -0.01 0.93 -0.03 0.00 -1.74 0.00 0.00 68.15 67.31 2sqc h THR 91 CO -0.04 0.33 -0.09 0.40 0.37 0.00 0.00 175.52 176.49 2sqc h ILE 92 N 0.67 0.75 -0.67 3.11 2.04 -0.93 -0.69 117.51 121.80 2sqc h ILE 92 Ca 0.14 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.97 2sqc h ILE 92 Cb 0.41 0.75 -0.03 0.00 -0.74 0.00 0.00 36.82 37.21 2sqc h ILE 92 CO 0.01 0.00 0.28 -0.33 0.00 0.00 0.00 178.15 178.12 2sqc h GLU 93 N -0.14 0.98 -0.69 2.37 5.08 -1.19 -0.49 114.58 120.51 2sqc h GLU 93 Ca 0.05 -0.17 -0.07 0.00 -1.00 0.00 0.00 59.36 58.17 2sqc h GLU 93 Cb 0.21 -0.17 -0.03 0.00 0.50 0.00 0.00 28.75 29.27 2sqc h GLU 93 CO -0.13 0.81 0.14 0.00 -1.00 0.00 0.00 179.01 178.82 2sqc h ALA 94 N 1.13 0.94 -0.11 3.43 0.00 -1.04 -1.19 119.26 122.41 2sqc h ALA 94 Ca 0.22 -0.26 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 2sqc h ALA 94 Cb 0.18 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 2sqc h ALA 94 CO -0.02 0.67 0.07 -0.92 0.00 0.00 0.00 179.25 179.04 2sqc h TYR 95 N 1.05 0.15 -0.53 0.00 5.03 -0.79 0.23 116.97 122.12 2sqc h TYR 95 Ca 0.21 -0.00 0.02 0.00 2.58 0.00 0.00 58.73 61.55 2sqc h TYR 95 Cb 0.41 -0.05 -0.03 0.00 1.55 0.00 0.00 36.73 38.61 2sqc h TYR 95 CO 0.03 0.14 0.32 0.28 -1.32 0.00 0.00 178.16 177.61 2sqc h VAL 96 N 0.12 1.06 -0.49 1.81 2.07 -0.91 -1.43 116.25 118.48 2sqc h VAL 96 Ca 0.04 -0.22 -0.09 0.00 0.82 0.00 0.00 66.70 67.26 2sqc h VAL 96 Cb 0.03 0.37 -0.02 0.00 -1.52 0.00 0.00 31.29 30.16 2sqc h VAL 96 CO -0.01 0.12 -0.03 0.00 0.02 0.00 0.00 177.57 177.67 2sqc h ALA 97 N 1.23 0.66 -0.78 1.67 0.00 -0.94 -0.94 119.26 120.17 2sqc h ALA 97 Ca 0.21 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.83 2sqc h ALA 97 Cb 0.02 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.59 2sqc h ALA 97 CO -0.09 0.49 0.50 -0.07 0.00 0.00 0.00 179.25 180.08 2sqc h LEU 98 N 0.73 0.90 -0.68 0.00 3.38 -0.77 0.18 115.31 119.06 2sqc h LEU 98 Ca 0.13 -0.04 -0.10 0.00 0.09 0.00 0.00 57.88 57.97 2sqc h LEU 98 Cb 0.55 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.06 2sqc h LEU 98 CO 0.03 0.67 -0.08 0.50 0.09 0.00 0.00 178.44 179.65 2sqc h LYS 99 N 1.05 0.95 -0.37 1.13 3.64 -1.01 -1.20 116.57 120.75 2sqc h LYS 99 Ca 0.28 -0.32 -0.01 0.00 -1.27 0.00 0.00 60.65 59.33 2sqc h LYS 99 Cb -0.10 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 31.63 2sqc h LYS 99 CO -0.06 0.98 0.18 -0.92 -2.27 0.00 0.00 179.45 177.36 2sqc h TYR 100 N 0.85 0.54 -0.51 1.91 3.20 -0.71 -2.43 116.97 119.82 2sqc h TYR 100 Ca 0.14 -0.03 -0.03 0.00 3.14 0.00 0.00 58.73 61.95 2sqc h TYR 100 Cb 0.61 -0.17 -0.02 0.00 1.54 0.00 0.00 36.73 38.69 2sqc h TYR 100 CO 0.04 0.46 0.18 0.82 -1.64 0.00 0.00 178.16 178.02 2sqc h ILE 101 N 0.46 1.20 0.00 1.81 2.04 -0.75 -3.47 117.51 118.80 2sqc h ILE 101 Ca 0.13 -0.64 0.00 0.00 1.00 0.00 0.00 64.86 65.35 2sqc h ILE 101 Cb 0.13 0.62 0.00 0.00 -0.74 0.00 0.00 36.82 36.83 2sqc h ILE 101 CO -0.02 0.25 0.00 0.61 0.00 0.00 0.00 178.15 178.99 2sqc n GLY 102 N -1.05 -0.23 3.77 5.37 0.00 -0.53 -5.04 105.19 107.48 2sqc n GLY 102 Ca 0.04 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.65 2sqc n GLY 102 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2sqc s MET 103 N 0.00 4.38 0.42 1.61 -1.94 -0.75 -4.99 119.30 118.03 2sqc s MET 103 Ca 0.00 2.11 -0.20 0.00 -1.71 0.00 0.00 55.69 55.89 2sqc s MET 103 Cb 0.00 -3.06 -0.11 0.00 2.01 0.00 0.00 34.83 33.67 2sqc s MET 103 CO 0.00 -0.13 0.92 0.45 -0.01 0.00 0.00 175.02 176.26 2sqc s SER 104 N -0.61 6.92 0.50 3.03 0.15 -1.26 -4.31 113.70 118.12 2sqc s SER 104 Ca 0.49 1.64 0.34 0.00 0.70 0.00 0.00 55.95 59.11 2sqc s SER 104 Cb -0.38 -2.52 1.80 0.00 -1.71 0.00 0.00 66.02 63.21 2sqc s SER 104 CO 0.50 -0.34 2.03 0.08 1.20 0.00 0.00 173.24 176.70 2sqc h ARG 105 N 1.96 0.00 -0.00 5.44 0.11 -1.95 -0.95 114.38 118.99 2sqc h ARG 105 Ca -0.49 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.59 2sqc h ARG 105 Cb 1.18 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.26 2sqc h ARG 105 CO 0.62 0.00 -0.06 -0.25 0.10 0.00 0.00 179.97 180.38 2sqc n ASP 106 N -2.69 0.06 -4.77 0.08 8.00 -1.26 -3.74 116.55 112.23 2sqc n ASP 106 Ca -0.02 0.35 -0.37 0.00 0.71 0.00 0.00 54.79 55.47 2sqc n ASP 106 Cb 0.07 -0.39 -0.01 0.00 -0.02 0.00 0.00 41.12 40.77 2sqc n ASP 106 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 2sqc s GLU 107 N -2.96 3.68 0.15 -1.24 2.02 -0.36 -4.83 118.70 115.16 2sqc s GLU 107 Ca 0.15 1.73 -0.18 0.00 0.02 0.00 0.00 54.97 56.69 2sqc s GLU 107 Cb 0.19 -2.32 0.06 0.00 0.10 0.00 0.00 34.13 32.16 2sqc s GLU 107 CO 0.54 -0.60 1.67 1.49 0.02 0.00 0.00 175.26 178.38 2sqc h GLU 108 N 1.87 -0.02 -0.90 1.61 4.81 -1.89 -0.73 114.58 119.32 2sqc h GLU 108 Ca -0.49 0.00 0.09 0.00 -0.13 0.00 0.00 59.36 58.83 2sqc h GLU 108 Cb 1.25 0.01 -0.06 0.00 0.63 0.00 0.00 28.75 30.57 2sqc h GLU 108 CO 0.59 -0.01 0.58 -1.35 -0.73 0.00 0.00 179.01 178.09 2sqc h PRO 109 N -0.02 0.90 -0.33 0.92 0.11 -1.96 -0.90 132.00 130.72 2sqc h PRO 109 Ca 0.16 -0.05 -0.09 0.00 0.11 0.00 0.00 66.00 66.13 2sqc h PRO 109 Cb 0.27 -0.20 -0.01 0.00 0.11 0.00 0.00 31.00 31.17 2sqc h PRO 109 CO -0.36 0.59 -0.13 0.52 -0.21 0.00 0.00 178.00 178.41 2sqc h MET 110 N 0.93 0.67 -0.85 1.05 2.86 -1.59 -2.27 114.93 115.72 2sqc h MET 110 Ca 0.41 -0.28 -0.03 0.00 -2.06 0.00 0.00 59.70 57.74 2sqc h MET 110 Cb 0.37 -0.02 -0.04 0.00 0.06 0.00 0.00 31.60 31.97 2sqc h MET 110 CO -0.18 0.87 0.42 1.96 1.06 0.00 0.00 176.91 181.05 2sqc h GLN 111 N 0.44 1.22 -0.39 1.72 4.20 -0.45 0.73 115.11 122.59 2sqc h GLN 111 Ca 0.08 -0.17 -0.06 0.00 0.06 0.00 0.00 58.65 58.56 2sqc h GLN 111 Cb 0.66 -0.22 -0.01 0.00 0.30 0.00 0.00 27.48 28.20 2sqc h GLN 111 CO 0.04 0.92 0.02 0.87 -0.67 0.00 0.00 178.83 180.02 2sqc h LYS 112 N 1.21 0.67 -0.04 1.46 1.57 -1.17 -0.49 116.57 119.78 2sqc h LYS 112 Ca 0.29 -0.20 0.01 0.00 -1.87 0.00 0.00 60.65 58.88 2sqc h LYS 112 Cb 0.10 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.33 2sqc h LYS 112 CO -0.04 0.75 -0.03 0.00 -0.57 0.00 0.00 179.45 179.57 2sqc h ALA 113 N 0.89 0.01 -0.40 3.86 0.00 -1.02 -2.15 119.26 120.45 2sqc h ALA 113 Ca 0.11 0.02 0.04 0.00 0.00 0.00 0.00 54.91 55.08 2sqc h ALA 113 Cb 0.44 0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.25 2sqc h ALA 113 CO 0.02 -0.51 0.17 1.25 0.00 0.00 0.00 179.25 180.18 2sqc h LEU 114 N -0.03 0.22 -0.64 0.00 6.46 -0.73 -0.78 115.31 119.81 2sqc h LEU 114 Ca 0.03 0.03 0.11 0.00 -0.12 0.00 0.00 57.88 57.93 2sqc h LEU 114 Cb 0.07 -0.00 -0.08 0.00 -0.73 0.00 0.00 40.66 39.91 2sqc h LEU 114 CO -0.06 0.16 0.22 0.03 -0.62 0.00 0.00 178.44 178.17 2sqc h ARG 115 N 0.35 0.36 -0.07 1.25 3.08 -0.77 0.44 114.38 119.03 2sqc h ARG 115 Ca 0.18 -0.02 -0.00 0.00 0.07 0.00 0.00 59.98 60.20 2sqc h ARG 115 Cb 0.12 -0.08 -0.00 0.00 0.08 0.00 0.00 29.97 30.09 2sqc h ARG 115 CO -0.15 0.24 0.03 0.35 -1.07 0.00 0.00 179.97 179.37 2sqc h PHE 116 N 0.38 0.09 -0.30 3.04 3.57 -0.70 -1.50 116.94 121.53 2sqc h PHE 116 Ca 0.33 -0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.88 2sqc h PHE 116 Cb 0.46 -0.03 -0.05 0.00 2.79 0.00 0.00 35.95 39.12 2sqc h PHE 116 CO -0.19 0.18 -0.01 0.82 -2.23 0.00 0.00 178.31 176.88 2sqc h ILE 117 N -0.02 0.77 -0.07 1.41 2.04 -0.41 -2.04 117.51 119.19 2sqc h ILE 117 Ca 0.02 -0.02 -0.08 0.00 1.00 0.00 0.00 64.86 65.78 2sqc h ILE 117 Cb 0.12 0.69 -0.01 0.00 -0.74 0.00 0.00 36.82 36.88 2sqc h ILE 117 CO -0.00 0.01 -0.32 1.56 0.00 0.00 0.00 178.15 179.40 2sqc h GLN 118 N 0.07 0.14 0.00 2.37 4.20 -0.93 -1.19 115.11 119.76 2sqc h GLN 118 Ca 0.14 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.80 2sqc h GLN 118 Cb 0.20 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 27.97 2sqc h GLN 118 CO -0.25 0.44 0.00 0.66 -0.67 0.00 0.00 178.83 179.01 2sqc h SER 119 N 0.12 0.00 -0.37 1.46 4.64 -0.55 -0.80 113.55 118.05 2sqc h SER 119 Ca 0.02 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 2sqc h SER 119 Cb 0.62 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.71 2sqc h SER 119 CO 0.05 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 176.01 2sqc n GLN 120 N -3.01 3.00 -0.33 4.77 1.13 -0.90 -4.68 117.38 117.37 2sqc n GLN 120 Ca -0.00 -2.41 0.00 0.00 -1.94 0.00 0.00 57.00 52.64 2sqc n GLN 120 Cb 0.23 -1.53 0.00 0.00 0.11 0.00 0.00 30.24 29.05 2sqc n GLN 120 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2sqc n GLY 121 N 0.33 0.83 7.00 1.08 0.00 -1.10 -4.77 105.19 108.56 2sqc n GLY 121 Ca 0.17 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 46.11 2sqc n GLY 121 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2sqc n GLY 122 N -2.33 0.85 0.33 -0.02 0.00 -0.50 -3.37 105.19 100.16 2sqc n GLY 122 Ca 0.00 -0.78 0.06 0.00 0.00 0.00 0.00 46.02 45.30 2sqc n GLY 122 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 2sqc h ILE 123 N 0.00 1.04 0.00 -0.61 6.09 -1.60 -0.90 117.51 121.53 2sqc h ILE 123 Ca 0.00 -0.20 0.00 0.00 -1.37 0.00 0.00 64.86 63.29 2sqc h ILE 123 Cb 0.00 0.41 0.00 0.00 0.47 0.00 0.00 36.82 37.70 2sqc h ILE 123 CO 0.00 0.11 0.00 -0.33 -3.07 0.00 0.00 178.15 174.86 2sqc h GLU 124 N 0.58 0.00 -0.20 2.19 4.39 -1.84 -2.02 114.58 117.68 2sqc h GLU 124 Ca 0.22 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.92 2sqc h GLU 124 Cb 0.14 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.79 2sqc h GLU 124 CO -0.06 0.00 0.00 0.43 -1.16 0.00 0.00 179.01 178.22 2sqc n SER 125 N -2.32 2.56 -4.91 1.42 7.64 -0.35 -4.15 113.62 113.51 2sqc n SER 125 Ca 0.02 -1.84 -0.27 0.00 1.01 0.00 0.00 58.87 57.78 2sqc n SER 125 Cb 0.24 -0.13 -0.00 0.00 -1.01 0.00 0.00 64.21 63.31 2sqc n SER 125 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2sqc s SER 126 N -1.67 6.28 0.89 6.43 1.04 -0.76 -4.63 113.70 121.29 2sqc s SER 126 Ca 0.35 0.87 -0.11 0.00 0.48 0.00 0.00 55.95 57.54 2sqc s SER 126 Cb 0.20 -2.22 0.13 0.00 0.10 0.00 0.00 66.02 64.23 2sqc s SER 126 CO 0.30 -0.52 1.11 0.00 0.98 0.00 0.00 173.24 175.11 2sqc s ARG 127 N -4.61 1.23 0.20 4.02 1.70 -1.26 -4.63 118.95 115.59 2sqc s ARG 127 Ca 0.46 1.27 -0.15 0.00 -0.47 0.00 0.00 55.73 56.85 2sqc s ARG 127 Cb -0.10 -1.77 0.20 0.00 -0.57 0.00 0.00 34.95 32.71 2sqc s ARG 127 CO 0.43 -2.39 1.63 0.28 -1.08 0.00 0.00 175.30 174.16 2sqc h VAL 128 N -1.68 0.39 -0.48 4.99 2.07 -1.91 -1.98 116.25 117.66 2sqc h VAL 128 Ca -0.46 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.04 2sqc h VAL 128 Cb 1.27 0.39 -0.02 0.00 -1.52 0.00 0.00 31.29 31.41 2sqc h VAL 128 CO 0.47 0.00 0.20 -0.26 0.02 0.00 0.00 177.57 178.00 2sqc h PHE 129 N -0.02 0.67 -0.43 1.57 0.04 -1.91 0.33 116.94 117.19 2sqc h PHE 129 Ca 0.28 -0.02 -0.08 0.00 2.80 0.00 0.00 57.97 60.94 2sqc h PHE 129 Cb 0.44 -0.21 -0.01 0.00 2.20 0.00 0.00 35.95 38.37 2sqc h PHE 129 CO -0.49 0.52 -0.06 1.15 -0.60 0.00 0.00 178.31 178.82 2sqc h THR 130 N 0.67 1.27 -0.39 -1.55 2.02 -1.73 -1.59 112.91 111.61 2sqc h THR 130 Ca 0.16 -1.14 -0.07 0.00 0.77 0.00 0.00 66.41 66.13 2sqc h THR 130 Cb 0.12 1.13 -0.02 0.00 -1.74 0.00 0.00 68.15 67.64 2sqc h THR 130 CO -0.02 0.39 -0.06 0.03 0.37 0.00 0.00 175.52 176.23 2sqc h ARG 131 N 0.63 0.65 -0.19 6.66 3.08 -0.97 -2.05 114.38 122.19 2sqc h ARG 131 Ca 0.11 -0.18 -0.06 0.00 0.07 0.00 0.00 59.98 59.93 2sqc h ARG 131 Cb 0.58 -0.07 -0.00 0.00 0.08 0.00 0.00 29.97 30.55 2sqc h ARG 131 CO 0.03 0.71 -0.11 1.98 -1.07 0.00 0.00 179.97 181.52 2sqc h MET 132 N 0.61 0.41 -0.98 0.04 4.05 -0.80 0.61 114.93 118.87 2sqc h MET 132 Ca 0.12 -0.19 0.06 0.00 -0.28 0.00 0.00 59.70 59.41 2sqc h MET 132 Cb 0.47 -0.01 -0.07 0.00 -0.80 0.00 0.00 31.60 31.19 2sqc h MET 132 CO 0.02 0.72 0.63 -1.49 0.23 0.00 0.00 176.91 177.03 2sqc h TRP 133 N 0.10 1.17 -0.22 1.39 4.06 -1.21 0.29 115.95 121.53 2sqc h TRP 133 Ca 0.04 0.03 -0.11 0.00 2.06 0.00 0.00 58.89 60.91 2sqc h TRP 133 Cb 0.61 -0.38 -0.01 0.00 -1.00 0.00 0.00 29.16 28.37 2sqc h TRP 133 CO 0.07 0.61 -0.34 -0.07 -3.56 0.00 0.00 178.44 175.14 2sqc h LEU 134 N 1.15 0.49 -0.76 -4.49 3.38 -1.06 -2.94 115.31 111.08 2sqc h LEU 134 Ca 0.42 -0.19 -0.06 0.00 0.09 0.00 0.00 57.88 58.14 2sqc h LEU 134 Cb 0.16 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 40.75 2sqc h LEU 134 CO -0.17 0.80 0.25 0.00 0.09 0.00 0.00 178.44 179.40 2sqc h ALA 135 N 1.23 0.99 -0.38 1.53 0.00 0.01 0.15 119.26 122.79 2sqc h ALA 135 Ca 0.05 -0.22 0.04 0.00 0.00 0.00 0.00 54.91 54.78 2sqc h ALA 135 Cb 0.79 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 2sqc h ALA 135 CO 0.06 0.67 0.26 -0.07 0.00 0.00 0.00 179.25 180.17 2sqc h LEU 136 N 1.12 0.29 -3.45 0.00 3.38 -0.82 -1.39 115.31 114.44 2sqc h LEU 136 Ca 0.25 -0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.21 2sqc h LEU 136 Cb 0.30 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 40.98 2sqc h LEU 136 CO -0.01 0.20 0.00 1.33 0.09 0.00 0.00 178.44 180.05 2sqc n VAL 137 N -4.48 2.60 -1.04 1.22 0.24 -0.87 -0.26 118.33 115.73 2sqc n VAL 137 Ca 0.04 -1.60 -0.01 0.00 -2.04 0.00 0.00 64.34 60.73 2sqc n VAL 137 Cb 0.20 -0.27 -0.01 0.00 -1.47 0.00 0.00 33.84 32.30 2sqc n VAL 137 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2sqc n GLY 138 N 0.18 0.52 0.69 7.63 0.00 -0.52 -3.24 105.19 110.45 2sqc n GLY 138 Ca 0.25 -0.52 0.09 0.00 0.00 0.00 0.00 46.02 45.85 2sqc n GLY 138 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2sqc n GLU 139 N -2.72 1.56 -3.77 1.61 -0.58 0.46 -4.95 120.64 112.26 2sqc n GLU 139 Ca -0.01 -1.49 -0.13 0.00 -0.42 0.00 0.00 57.16 55.11 2sqc n GLU 139 Cb 0.08 -1.35 -0.10 0.00 -0.57 0.00 0.00 31.44 29.50 2sqc n GLU 139 CO 0.00 0.00 0.00 -0.47 -0.48 0.00 0.00 177.13 176.18 2sqc s TYR 140 N -1.60 -0.28 0.09 -0.32 5.04 -1.20 -4.85 117.35 114.24 2sqc s TYR 140 Ca 0.20 0.61 -0.31 0.00 -2.44 0.00 0.00 57.07 55.13 2sqc s TYR 140 Cb 0.15 0.11 -0.08 0.00 0.35 0.00 0.00 41.96 42.49 2sqc s TYR 140 CO 0.26 -0.26 1.42 -1.25 -1.34 0.00 0.00 175.55 174.38 2sqc s PRO 141 N -0.45 4.30 0.44 4.97 0.04 -1.26 -3.94 135.00 139.10 2sqc s PRO 141 Ca -0.06 2.09 0.13 0.00 0.04 0.00 0.00 61.00 63.20 2sqc s PRO 141 Cb -0.04 -3.34 0.99 0.00 0.04 0.00 0.00 34.50 32.16 2sqc s PRO 141 CO 0.02 -0.50 2.00 -1.49 0.04 0.00 0.00 177.00 177.08 2sqc h TRP 142 N 7.13 0.07 -0.06 0.56 4.06 -1.95 -1.85 115.95 123.92 2sqc h TRP 142 Ca -0.41 -0.01 0.02 0.00 2.06 0.00 0.00 58.89 60.55 2sqc h TRP 142 Cb 1.20 -0.02 -0.00 0.00 -1.00 0.00 0.00 29.16 29.34 2sqc h TRP 142 CO 0.69 0.20 0.08 0.93 -3.56 0.00 0.00 178.44 176.77 2sqc h GLU 143 N 0.07 0.00 -0.25 0.49 3.07 -2.02 -1.26 114.58 114.67 2sqc h GLU 143 Ca 0.01 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.87 2sqc h GLU 143 Cb 0.27 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.18 2sqc h GLU 143 CO 0.02 0.00 0.00 1.63 -1.40 0.00 0.00 179.01 179.26 2sqc n LYS 144 N -3.68 2.27 -3.37 2.33 5.02 -0.69 -4.86 118.16 115.17 2sqc n LYS 144 Ca -0.02 -1.90 -0.38 0.00 -2.02 0.00 0.00 58.31 54.00 2sqc n LYS 144 Cb 0.17 -1.48 -0.07 0.00 -0.02 0.00 0.00 35.03 33.63 2sqc n LYS 144 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2sqc s VAL 145 N -1.68 5.20 0.17 -0.18 1.01 -0.48 -5.04 120.40 119.41 2sqc s VAL 145 Ca 0.35 0.79 -0.33 0.00 0.00 0.00 0.00 61.98 62.79 2sqc s VAL 145 Cb 0.21 -3.75 -0.15 0.00 0.00 0.00 0.00 36.38 32.69 2sqc s VAL 145 CO 0.30 0.29 1.32 -2.65 0.00 0.00 0.00 175.10 174.36 2sqc n PRO 146 N 4.10 1.54 -2.95 2.72 -0.02 -1.26 -4.92 135.00 134.21 2sqc n PRO 146 Ca -0.08 0.55 -0.40 0.00 -2.02 0.00 0.00 63.50 61.55 2sqc n PRO 146 Cb 0.51 -2.16 -0.05 0.00 -0.02 0.00 0.00 33.50 31.79 2sqc n PRO 146 CO 0.00 0.00 0.00 1.41 1.98 0.00 0.00 175.50 178.89 2sqc s MET 147 N -0.07 4.53 -0.35 -0.52 1.75 -1.26 -4.89 119.30 118.50 2sqc s MET 147 Ca 0.74 1.13 0.02 0.00 -1.25 0.00 0.00 55.69 56.34 2sqc s MET 147 Cb -0.79 -3.35 0.10 0.00 2.84 0.00 0.00 34.83 33.63 2sqc s MET 147 CO 0.49 0.32 0.07 0.08 -0.65 0.00 0.00 175.02 175.33 2sqc s VAL 148 N -0.23 2.53 0.27 10.11 1.01 -1.26 -4.98 120.40 127.85 2sqc s VAL 148 Ca 0.39 -2.20 -0.26 0.00 0.00 0.00 0.00 61.98 59.91 2sqc s VAL 148 Cb -0.21 -2.80 -0.09 0.00 0.00 0.00 0.00 36.38 33.28 2sqc s VAL 148 CO 0.24 -0.57 0.88 -2.16 0.00 0.00 0.00 175.10 173.50 2sqc s PRO 149 N 0.98 4.59 0.62 2.72 0.04 -1.26 -4.16 135.00 138.53 2sqc s PRO 149 Ca 0.08 1.26 0.36 0.00 0.04 0.00 0.00 61.00 62.75 2sqc s PRO 149 Cb -0.20 -2.98 2.03 0.00 0.04 0.00 0.00 34.50 33.39 2sqc s PRO 149 CO -0.07 0.39 2.28 -1.00 0.04 0.00 0.00 177.00 178.65 2sqc h PRO 150 N 3.59 0.00 0.00 0.56 0.13 -1.93 -1.17 132.00 133.18 2sqc h PRO 150 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 2sqc h PRO 150 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 2sqc h PRO 150 CO 0.66 0.01 0.00 0.39 -0.23 0.00 0.00 178.00 178.83 2sqc n GLU 151 N -3.48 0.04 0.08 0.86 4.71 -1.26 -1.52 120.64 120.07 2sqc n GLU 151 Ca -0.03 0.32 0.18 0.00 -0.01 0.00 0.00 57.16 57.62 2sqc n GLU 151 Cb 0.10 -1.50 0.71 0.00 -1.01 0.00 0.00 31.44 29.74 2sqc n GLU 151 CO 0.00 0.00 0.00 0.97 0.09 0.00 0.00 177.13 178.19 2sqc h ILE 152 N 0.00 0.71 0.00 -3.67 2.10 -1.61 -0.03 117.51 115.01 2sqc h ILE 152 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.94 2sqc h ILE 152 Cb 0.10 0.79 0.00 0.00 -1.09 0.00 0.00 36.82 36.62 2sqc h ILE 152 CO 0.00 0.00 0.00 0.23 -1.08 0.00 0.00 178.15 177.30 2sqc n MET 153 N -4.26 0.17 0.00 2.19 2.81 -0.57 -1.81 117.12 115.65 2sqc n MET 153 Ca 0.06 0.46 0.13 0.00 -1.81 0.00 0.00 57.70 56.55 2sqc n MET 153 Cb 0.48 -1.87 0.49 0.00 -0.71 0.00 0.00 33.22 31.60 2sqc n MET 153 CO 0.00 0.00 0.00 1.19 1.51 0.00 0.00 175.97 178.67 2sqc n PHE 154 N -2.21 0.00 -2.58 2.03 3.72 -0.02 -4.83 117.46 113.57 2sqc n PHE 154 Ca 0.01 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 56.99 2sqc n PHE 154 Cb 0.18 -0.36 -0.03 0.00 -0.94 0.00 0.00 39.48 38.34 2sqc n PHE 154 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 2sqc s LEU 155 N -2.92 4.25 1.02 4.37 1.43 -0.75 -5.02 118.68 121.06 2sqc s LEU 155 Ca 0.15 1.66 -0.12 0.00 -1.03 0.00 0.00 54.13 54.78 2sqc s LEU 155 Cb 0.19 -3.56 0.20 0.00 0.03 0.00 0.00 46.19 43.05 2sqc s LEU 155 CO 0.58 -0.53 1.09 -0.83 0.23 0.00 0.00 176.35 176.89 2sqc s GLY 156 N 1.29 1.56 0.00 -3.19 0.00 -1.26 -4.69 107.32 101.03 2sqc s GLY 156 Ca 0.52 -0.37 0.08 0.00 0.00 0.00 0.00 44.72 44.96 2sqc s GLY 156 CO 0.19 0.26 1.19 0.28 0.00 0.00 0.00 173.10 175.02 2sqc n LYS 157 N -4.25 0.08 -0.07 2.90 4.76 -1.26 -1.29 118.16 119.03 2sqc n LYS 157 Ca 0.05 0.26 0.03 0.00 -2.87 0.00 0.00 58.31 55.78 2sqc n LYS 157 Cb 0.57 -1.50 0.07 0.00 -1.84 0.00 0.00 35.03 32.33 2sqc n LYS 157 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 2sqc n ARG 158 N -1.37 2.43 -3.39 1.97 1.74 -1.26 -4.91 116.66 111.88 2sqc n ARG 158 Ca 0.03 -1.62 -0.33 0.00 -0.77 0.00 0.00 57.85 55.16 2sqc n ARG 158 Cb 0.08 -1.13 -0.06 0.00 -1.02 0.00 0.00 32.46 30.33 2sqc n ARG 158 CO 0.00 0.00 0.00 -1.64 -1.52 0.00 0.00 177.63 174.47 2sqc s MET 159 N -0.91 3.85 0.29 5.56 -1.94 -0.41 -5.03 119.30 120.70 2sqc s MET 159 Ca 0.11 0.35 -0.30 0.00 -1.71 0.00 0.00 55.69 54.13 2sqc s MET 159 Cb 0.06 -2.70 -0.12 0.00 2.01 0.00 0.00 34.83 34.08 2sqc s MET 159 CO 0.08 0.35 1.56 -0.35 -0.01 0.00 0.00 175.02 176.65 2sqc n PRO 160 N 0.08 2.60 -1.30 2.03 -0.04 -1.26 -2.15 135.00 134.96 2sqc n PRO 160 Ca -0.01 0.92 -0.10 0.00 -0.04 0.00 0.00 63.50 64.27 2sqc n PRO 160 Cb 0.52 -2.68 -0.04 0.00 -0.04 0.00 0.00 33.50 31.25 2sqc n PRO 160 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2sqc n LEU 161 N 2.14 -0.42 -4.74 1.53 4.77 -1.26 -4.99 117.00 114.03 2sqc n LEU 161 Ca 0.09 0.25 -0.32 0.00 -0.03 0.00 0.00 56.01 56.00 2sqc n LEU 161 Cb 0.36 -2.31 0.10 0.00 -2.33 0.00 0.00 43.42 39.24 2sqc n LEU 161 CO 0.64 -0.86 0.72 0.54 -1.33 0.00 0.00 177.39 177.10 2sqc s ASN 162 N -2.49 4.18 0.58 -1.43 2.20 -0.91 -4.90 114.94 112.16 2sqc s ASN 162 Ca 0.00 2.03 0.27 0.00 -0.94 0.00 0.00 52.86 54.22 2sqc s ASN 162 Cb 0.00 -2.55 1.69 0.00 -2.00 0.00 0.00 41.25 38.39 2sqc s ASN 162 CO 0.00 -2.26 2.22 0.16 -2.94 0.00 0.00 177.10 174.28 2sqc h ILE 163 N -0.95 0.62 0.00 0.54 3.07 -1.83 -1.11 117.51 117.85 2sqc h ILE 163 Ca -0.45 0.00 0.00 0.00 1.55 0.00 0.00 64.86 65.96 2sqc h ILE 163 Cb 1.25 0.98 0.00 0.00 -0.27 0.00 0.00 36.82 38.78 2sqc h ILE 163 CO 0.49 0.00 0.00 -1.22 -1.05 0.00 0.00 178.15 176.37 2sqc n TYR 164 N -4.00 0.00 0.63 0.16 4.01 -1.26 -2.32 117.16 114.38 2sqc n TYR 164 Ca -0.02 0.00 0.13 0.00 -0.16 0.00 0.00 57.90 57.84 2sqc n TYR 164 Cb 0.11 -0.22 0.31 0.00 -0.31 0.00 0.00 39.34 39.22 2sqc n TYR 164 CO 0.00 0.00 0.00 0.39 -0.46 0.00 0.00 176.86 176.79 2sqc n GLU 165 N -1.22 0.26 -2.94 -0.72 1.02 -0.42 -4.86 120.64 111.76 2sqc n GLU 165 Ca 0.15 0.15 -0.31 0.00 -0.02 0.00 0.00 57.16 57.13 2sqc n GLU 165 Cb 0.20 -1.73 -0.04 0.00 -0.02 0.00 0.00 31.44 29.85 2sqc n GLU 165 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 2sqc s PHE 166 N -3.12 3.44 0.78 -0.32 0.40 -0.98 -4.64 117.98 113.54 2sqc s PHE 166 Ca 0.09 1.09 -0.11 0.00 -0.60 0.00 0.00 56.93 57.41 2sqc s PHE 166 Cb 0.13 -2.47 0.06 0.00 0.51 0.00 0.00 43.02 41.25 2sqc s PHE 166 CO 0.65 -0.05 1.08 0.20 0.70 0.00 0.00 175.22 177.81 2sqc s GLY 167 N -2.89 1.66 0.27 4.36 0.00 0.14 -4.72 107.32 106.14 2sqc s GLY 167 Ca 0.52 0.14 -0.04 0.00 0.00 0.00 0.00 44.72 45.34 2sqc s GLY 167 CO 0.27 0.51 1.94 1.48 0.00 0.00 0.00 173.10 177.30 2sqc h SER 168 N -1.10 1.07 0.91 1.64 4.64 -1.95 -1.22 113.55 117.53 2sqc h SER 168 Ca -0.45 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 2sqc h SER 168 Cb 1.24 -0.26 0.00 0.00 -0.31 0.00 0.00 62.40 63.06 2sqc h SER 168 CO 0.54 0.76 0.00 4.11 -0.87 0.00 0.00 176.83 181.37 2sqc h TRP 169 N 1.26 0.00 0.00 4.77 0.09 -1.95 -2.86 115.95 117.26 2sqc h TRP 169 Ca 0.35 0.00 -0.04 0.00 0.09 0.00 0.00 58.89 59.30 2sqc h TRP 169 Cb -0.11 0.00 -0.01 0.00 0.08 0.00 0.00 29.16 29.12 2sqc h TRP 169 CO -0.00 0.00 -2.00 0.00 0.09 0.00 0.00 178.44 176.53 2sqc n ALA 170 N -1.90 2.67 0.22 0.11 0.00 -0.62 -4.44 120.51 116.55 2sqc n ALA 170 Ca 0.02 -0.59 -0.15 0.00 0.00 0.00 0.00 53.44 52.72 2sqc n ALA 170 Cb 0.28 -0.71 -0.08 0.00 0.00 0.00 0.00 19.45 18.93 2sqc n ALA 170 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 2sqc h ARG 171 N 0.00 -0.52 -0.23 0.00 2.43 -1.02 -0.01 114.38 115.03 2sqc h ARG 171 Ca -0.05 0.04 -0.04 0.00 -0.81 0.00 0.00 59.98 59.11 2sqc h ARG 171 Cb 1.12 0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 30.78 2sqc h ARG 171 CO 0.00 -0.26 -0.04 0.00 -1.51 0.00 0.00 179.97 178.17 2sqc h ALA 172 N -0.20 1.52 -0.21 2.80 0.00 -1.82 -0.86 119.26 120.49 2sqc h ALA 172 Ca -0.06 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.68 2sqc h ALA 172 Cb 0.51 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 2sqc h ALA 172 CO 0.09 0.35 0.12 1.15 0.00 0.00 0.00 179.25 180.95 2sqc h THR 173 N 0.33 1.10 -0.44 0.00 2.02 -1.72 -0.13 112.91 114.07 2sqc h THR 173 Ca 0.07 -0.28 0.00 0.00 0.77 0.00 0.00 66.41 66.98 2sqc h THR 173 Cb 0.29 0.91 -0.02 0.00 -1.74 0.00 0.00 68.15 67.59 2sqc h THR 173 CO 0.01 0.10 0.29 0.58 0.37 0.00 0.00 175.52 176.87 2sqc h VAL 174 N 0.23 1.11 -0.02 3.16 2.07 -0.24 0.11 116.25 122.67 2sqc h VAL 174 Ca 0.07 -0.20 -0.00 0.00 0.82 0.00 0.00 66.70 67.39 2sqc h VAL 174 Cb 0.06 0.47 -0.00 0.00 -1.52 0.00 0.00 31.29 30.30 2sqc h VAL 174 CO -0.01 0.11 0.01 0.58 0.02 0.00 0.00 177.57 178.28 2sqc h VAL 175 N 0.59 1.06 -0.53 2.57 2.07 -0.97 -0.30 116.25 120.74 2sqc h VAL 175 Ca 0.16 -0.17 -0.11 0.00 0.82 0.00 0.00 66.70 67.40 2sqc h VAL 175 Cb -0.07 1.13 -0.02 0.00 -1.52 0.00 0.00 31.29 30.82 2sqc h VAL 175 CO -0.04 0.05 -0.09 0.00 0.02 0.00 0.00 177.57 177.51 2sqc h ALA 176 N 0.94 0.84 0.00 1.67 0.00 -0.88 -2.63 119.26 119.20 2sqc h ALA 176 Ca 0.01 -0.34 -0.01 0.00 0.00 0.00 0.00 54.91 54.57 2sqc h ALA 176 Cb 0.07 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.66 2sqc h ALA 176 CO -0.00 0.66 -0.06 -0.07 0.00 0.00 0.00 179.25 179.77 2sqc h LEU 177 N 0.87 0.00 -1.26 0.00 3.38 -0.68 -1.62 115.31 116.00 2sqc h LEU 177 Ca 0.14 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.05 2sqc h LEU 177 Cb 0.64 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.37 2sqc h LEU 177 CO 0.04 0.06 -0.17 0.77 0.09 0.00 0.00 178.44 179.24 2sqc h SER 178 N 0.00 0.29 -0.07 -0.43 4.64 -0.66 0.22 113.55 117.54 2sqc h SER 178 Ca -0.00 -0.07 -0.08 0.00 -0.47 0.00 0.00 61.79 61.17 2sqc h SER 178 Cb 0.59 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 62.60 2sqc h SER 178 CO 0.01 0.48 -0.27 0.40 -0.87 0.00 0.00 176.83 176.58 2sqc h ILE 179 N 0.28 1.43 -0.08 0.95 2.04 -1.35 -2.49 117.51 118.28 2sqc h ILE 179 Ca 0.05 -1.66 -0.00 0.00 1.00 0.00 0.00 64.86 64.24 2sqc h ILE 179 Cb 0.46 2.31 -0.00 0.00 -0.74 0.00 0.00 36.82 38.85 2sqc h ILE 179 CO 0.03 0.47 0.04 0.58 0.00 0.00 0.00 178.15 179.27 2sqc h VAL 180 N -0.19 1.12 0.00 1.67 2.07 -0.80 -2.72 116.25 117.40 2sqc h VAL 180 Ca -0.01 -0.35 -0.06 0.00 0.82 0.00 0.00 66.70 67.09 2sqc h VAL 180 Cb 0.91 1.21 -0.01 0.00 -1.52 0.00 0.00 31.29 31.88 2sqc h VAL 180 CO 0.06 0.10 -0.30 0.24 0.02 0.00 0.00 177.57 177.69 2sqc h MET 181 N -0.00 0.00 -0.82 1.57 2.86 -0.70 -1.12 114.93 116.71 2sqc h MET 181 Ca 0.03 0.00 0.04 0.00 -2.06 0.00 0.00 59.70 57.70 2sqc h MET 181 Cb 0.13 0.00 -0.05 0.00 0.06 0.00 0.00 31.60 31.74 2sqc h MET 181 CO -0.00 0.30 0.52 1.03 1.06 0.00 0.00 176.91 179.82 2sqc h SER 182 N 0.00 0.86 0.30 1.22 0.87 -1.13 -3.26 113.55 112.41 2sqc h SER 182 Ca -0.00 -0.00 -0.04 0.00 -1.23 0.00 0.00 61.79 60.52 2sqc h SER 182 Cb 0.65 -0.19 -0.01 0.00 -0.44 0.00 0.00 62.40 62.42 2sqc h SER 182 CO 0.04 0.59 -1.73 0.54 -0.53 0.00 0.00 176.83 175.74 2sqc n ARG 183 N -4.58 0.65 -3.77 2.24 5.12 -0.88 -5.01 116.66 110.42 2sqc n ARG 183 Ca 0.10 -0.08 -0.27 0.00 -1.93 0.00 0.00 57.85 55.67 2sqc n ARG 183 Cb 0.10 -1.62 0.02 0.00 -1.16 0.00 0.00 32.46 29.80 2sqc n ARG 183 CO 0.00 0.00 0.00 1.04 -1.93 0.00 0.00 177.63 176.74 2sqc n GLN 184 N -2.44 -2.72 -2.12 5.56 6.02 -0.48 -4.91 117.38 116.29 2sqc n GLN 184 Ca -0.05 0.48 -0.35 0.00 -0.01 0.00 0.00 57.00 57.07 2sqc n GLN 184 Cb 0.62 -4.51 0.02 0.00 1.02 0.00 0.00 30.24 27.38 2sqc n GLN 184 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 2sqc s PRO 185 N -6.15 3.19 -0.07 -1.09 0.04 -1.26 -5.05 135.00 124.61 2sqc s PRO 185 Ca 0.21 1.58 0.01 0.00 0.04 0.00 0.00 61.00 62.84 2sqc s PRO 185 Cb -0.07 -1.99 0.02 0.00 0.04 0.00 0.00 34.50 32.50 2sqc s PRO 185 CO 0.86 -0.97 -0.09 0.08 0.04 0.00 0.00 177.00 176.92 2sqc s VAL 186 N -1.89 0.93 -0.58 -0.36 1.01 -1.26 -4.45 120.40 113.80 2sqc s VAL 186 Ca 0.72 -0.31 0.04 0.00 0.00 0.00 0.00 61.98 62.42 2sqc s VAL 186 Cb -0.24 -0.91 0.15 0.00 0.00 0.00 0.00 36.38 35.39 2sqc s VAL 186 CO 0.31 0.32 0.35 -0.36 0.00 0.00 0.00 175.10 175.73 2sqc s PHE 187 N 1.08 3.05 0.41 5.22 0.40 0.64 -4.95 117.98 123.82 2sqc s PHE 187 Ca -0.07 -3.09 -0.26 0.00 -0.60 0.00 0.00 56.93 52.91 2sqc s PHE 187 Cb -0.14 -2.53 -0.10 0.00 0.51 0.00 0.00 43.02 40.75 2sqc s PHE 187 CO -0.01 -0.67 1.20 -2.30 0.70 0.00 0.00 175.22 174.14 2sqc n PRO 188 N 2.70 1.78 -2.07 0.24 -0.02 -1.26 -4.33 135.00 132.05 2sqc n PRO 188 Ca 0.13 0.63 -0.31 0.00 -2.02 0.00 0.00 63.50 61.93 2sqc n PRO 188 Cb 0.34 -2.27 -0.00 0.00 -0.02 0.00 0.00 33.50 31.55 2sqc n PRO 188 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2sqc s LEU 189 N -1.24 3.36 0.60 2.45 1.43 -1.20 -5.01 118.68 119.07 2sqc s LEU 189 Ca 0.61 1.40 -0.19 0.00 -1.03 0.00 0.00 54.13 54.92 2sqc s LEU 189 Cb -0.54 -4.42 -0.03 0.00 0.03 0.00 0.00 46.19 41.23 2sqc s LEU 189 CO 0.58 -0.78 1.19 -0.81 0.23 0.00 0.00 176.35 176.77 2sqc n PRO 190 N -2.43 1.19 -0.29 1.29 -0.04 -1.26 -4.86 135.00 128.59 2sqc n PRO 190 Ca 0.06 0.45 0.03 0.00 -0.04 0.00 0.00 63.50 64.00 2sqc n PRO 190 Cb 0.54 -2.41 0.11 0.00 -0.04 0.00 0.00 33.50 31.70 2sqc n PRO 190 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 2sqc h GLU 191 N 0.76 0.01 0.00 0.54 4.81 -1.99 -0.36 114.58 118.34 2sqc h GLU 191 Ca -0.50 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.73 2sqc h GLU 191 Cb 1.34 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.72 2sqc h GLU 191 CO 0.53 0.00 0.00 0.07 -0.73 0.00 0.00 179.01 178.89 2sqc h ARG 192 N 0.01 0.00 -0.03 1.92 0.11 -1.99 -2.39 114.38 112.01 2sqc h ARG 192 Ca 0.40 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.48 2sqc h ARG 192 Cb 0.63 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.71 2sqc h ARG 192 CO -0.85 0.00 -0.01 0.00 0.10 0.00 0.00 179.97 179.21 2sqc n ALA 193 N -2.07 2.50 -1.74 0.08 0.00 -0.15 -4.94 120.51 114.19 2sqc n ALA 193 Ca -0.02 -0.66 -0.36 0.00 0.00 0.00 0.00 53.44 52.40 2sqc n ALA 193 Cb 0.12 -0.85 0.03 0.00 0.00 0.00 0.00 19.45 18.75 2sqc n ALA 193 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2sqc s ARG 194 N -2.01 3.01 -0.47 0.00 0.52 -0.90 -4.68 118.95 114.42 2sqc s ARG 194 Ca 0.29 1.78 0.09 0.00 -0.52 0.00 0.00 55.73 57.36 2sqc s ARG 194 Cb 0.20 -1.94 0.37 0.00 0.52 0.00 0.00 34.95 34.10 2sqc s ARG 194 CO 0.31 -1.17 0.91 1.33 0.02 0.00 0.00 175.30 176.71 2sqc n VAL 195 N -1.59 1.79 0.28 3.52 0.24 -1.26 -4.85 118.33 116.45 2sqc n VAL 195 Ca 0.13 -4.90 0.14 0.00 -2.04 0.00 0.00 64.34 57.68 2sqc n VAL 195 Cb 0.50 -0.81 0.81 0.00 -1.47 0.00 0.00 33.84 32.87 2sqc n VAL 195 CO 0.00 0.00 0.00 1.55 -2.14 0.00 0.00 176.83 176.24 2sqc h PRO 196 N 2.92 0.00 0.00 7.34 0.13 -1.94 -2.11 132.00 138.34 2sqc h PRO 196 Ca 0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 2sqc h PRO 196 Cb 0.79 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.92 2sqc h PRO 196 CO 0.70 0.08 0.00 1.05 -0.23 0.00 0.00 178.00 179.60 2sqc h GLU 197 N 0.00 0.00 0.00 0.86 9.09 -1.97 -1.71 114.58 120.84 2sqc h GLU 197 Ca -0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 2sqc h GLU 197 Cb 0.23 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.33 2sqc h GLU 197 CO 0.01 0.00 0.00 1.28 0.05 0.00 0.00 179.01 180.35 2sqc n LEU 198 N -3.03 0.00 -0.03 3.06 4.77 -0.79 -2.35 117.00 118.63 2sqc n LEU 198 Ca -0.03 0.43 0.11 0.00 -0.03 0.00 0.00 56.01 56.49 2sqc n LEU 198 Cb 0.07 -0.43 0.12 0.00 -2.33 0.00 0.00 43.42 40.86 2sqc n LEU 198 CO 0.19 -0.11 0.29 -1.22 -1.33 0.00 0.00 177.39 175.22 2sqc n TYR 199 N -1.43 0.00 -2.81 -1.77 4.02 -0.64 -1.54 117.16 113.00 2sqc n TYR 199 Ca 0.07 0.00 -0.43 0.00 -0.01 0.00 0.00 57.90 57.53 2sqc n TYR 199 Cb 0.23 -0.15 -0.04 0.00 -0.02 0.00 0.00 39.34 39.36 2sqc n TYR 199 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 176.86 174.64 2sqc s GLU 200 N -2.96 3.68 0.15 -0.72 2.02 -0.99 -4.94 118.70 114.94 2sqc s GLU 200 Ca 0.11 0.36 0.09 0.00 0.02 0.00 0.00 54.97 55.55 2sqc s GLU 200 Cb 0.17 -3.87 -0.04 0.00 0.10 0.00 0.00 34.13 30.49 2sqc s GLU 200 CO 0.74 -1.11 -0.16 0.95 0.02 0.00 0.00 175.26 175.71 2sqc s THR 201 N 3.66 2.91 0.17 3.63 -4.23 -1.26 -4.59 115.64 115.93 2sqc s THR 201 Ca 0.38 -1.63 0.03 0.00 -1.18 0.00 0.00 61.69 59.30 2sqc s THR 201 Cb -0.11 -2.38 -0.14 0.00 1.34 0.00 0.00 72.50 71.21 2sqc s THR 201 CO 0.23 -0.00 1.40 0.44 -0.54 0.00 0.00 174.62 176.15 2sqc h ASP 202 N 3.37 0.22 -3.29 3.99 3.32 -1.47 -3.46 116.42 119.11 2sqc h ASP 202 Ca -0.48 -0.18 -0.44 0.00 0.02 0.00 0.00 57.03 55.95 2sqc h ASP 202 Cb 1.19 -0.07 -0.14 0.00 0.22 0.00 0.00 39.33 40.52 2sqc h ASP 202 CO 0.49 0.97 -0.72 0.68 -1.72 0.00 0.00 179.24 178.94 2sqc s VAL 203 N -3.24 1.64 0.31 -1.35 -7.23 -1.26 -5.06 120.40 104.20 2sqc s VAL 203 Ca -0.03 -2.18 -0.29 0.00 -1.81 0.00 0.00 61.98 57.67 2sqc s VAL 203 Cb 0.10 -2.07 -0.11 0.00 0.56 0.00 0.00 36.38 34.86 2sqc s VAL 203 CO 0.82 -0.58 1.55 -2.84 -0.31 0.00 0.00 175.10 173.74 2sqc s PRO 204 N -3.67 4.14 0.68 4.82 0.02 -1.26 -4.59 135.00 135.13 2sqc s PRO 204 Ca 0.23 2.54 -0.15 0.00 0.02 0.00 0.00 61.00 63.64 2sqc s PRO 204 Cb 0.00 -3.02 0.01 0.00 0.02 0.00 0.00 34.50 31.51 2sqc s PRO 204 CO 0.07 -0.58 1.14 -1.25 -0.33 0.00 0.00 177.00 176.05 2sqc s PRO 205 N -0.92 2.61 -0.13 5.54 0.04 -1.26 -4.76 135.00 136.12 2sqc s PRO 205 Ca 0.60 1.53 -0.03 0.00 0.04 0.00 0.00 61.00 63.14 2sqc s PRO 205 Cb -0.47 -1.91 0.05 0.00 0.04 0.00 0.00 34.50 32.21 2sqc s PRO 205 CO 0.51 -1.43 0.06 0.50 0.04 0.00 0.00 177.00 176.69 2sqc s ARG 206 N -3.98 0.19 0.20 4.56 3.52 -1.26 -4.97 118.95 117.21 2sqc s ARG 206 Ca 0.70 0.00 -0.32 0.00 -0.13 0.00 0.00 55.73 55.98 2sqc s ARG 206 Cb -0.24 -1.44 -0.13 0.00 -1.56 0.00 0.00 34.95 31.59 2sqc s ARG 206 CO 0.42 -0.53 1.66 -2.13 -0.81 0.00 0.00 175.30 173.91 2sqc n ARG 207 N 5.23 2.57 -2.80 5.12 3.00 -1.26 -4.35 116.66 124.17 2sqc n ARG 207 Ca -0.06 0.93 -0.41 0.00 -0.00 0.00 0.00 57.85 58.30 2sqc n ARG 207 Cb 0.49 -2.74 -0.03 0.00 0.00 0.00 0.00 32.46 30.18 2sqc n ARG 207 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.63 178.13 2sqc s ARG 208 N 0.91 4.53 0.49 -0.14 3.52 -1.26 -5.04 118.95 121.95 2sqc s ARG 208 Ca 0.75 1.27 0.07 0.00 -0.13 0.00 0.00 55.73 57.69 2sqc s ARG 208 Cb -0.56 -3.46 0.07 0.00 -1.56 0.00 0.00 34.95 29.45 2sqc s ARG 208 CO 0.36 -0.02 0.58 0.41 -0.81 0.00 0.00 175.30 175.82 2sqc n GLY 209 N 2.95 2.22 3.63 8.12 0.00 -1.26 -4.91 105.19 115.94 2sqc n GLY 209 Ca 0.04 -2.23 -0.44 0.00 0.00 0.00 0.00 46.02 43.39 2sqc n GLY 209 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2sqc n ALA 210 N -2.30 0.41 -0.23 4.61 0.00 -1.26 -4.34 120.51 117.40 2sqc n ALA 210 Ca -0.13 0.37 -0.01 0.00 0.00 0.00 0.00 53.44 53.68 2sqc n ALA 210 Cb 0.52 -2.12 0.21 0.00 0.00 0.00 0.00 19.45 18.07 2sqc n ALA 210 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 2sqc h LYS 211 N 2.19 1.02 -0.05 0.00 1.57 -1.43 -1.53 116.57 118.33 2sqc h LYS 211 Ca -0.42 -0.09 0.00 0.00 -1.87 0.00 0.00 60.65 58.27 2sqc h LYS 211 Cb 1.32 -0.21 0.00 0.00 0.08 0.00 0.00 32.23 33.41 2sqc h LYS 211 CO 0.61 0.71 0.00 0.41 -0.57 0.00 0.00 179.45 180.62 2sqc n GLY 212 N -1.29 -0.27 0.00 3.86 0.00 0.32 -5.02 105.19 102.78 2sqc n GLY 212 Ca 0.08 -0.34 0.00 0.00 0.00 0.00 0.00 46.02 45.76 2sqc n GLY 212 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2sqc n GLY 213 N 1.07 0.19 0.00 -0.02 0.00 -0.58 -4.86 105.19 100.99 2sqc n GLY 213 Ca 0.18 -1.44 0.00 0.00 0.00 0.00 0.00 46.02 44.77 2sqc n GLY 213 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2sqc n GLY 214 N 0.83 1.18 0.00 -0.02 0.00 -1.26 -4.43 105.19 101.50 2sqc n GLY 214 Ca 0.00 -1.55 0.00 0.00 0.00 0.00 0.00 46.02 44.47 2sqc n GLY 214 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2sqc n GLY 215 N 5.00 2.95 0.28 -0.02 0.00 -1.26 -4.99 105.19 107.15 2sqc n GLY 215 Ca 0.00 -0.45 -0.01 0.00 0.00 0.00 0.00 46.02 45.56 2sqc n GLY 215 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19 2sqc n TRP 216 N -0.75 0.02 -0.29 1.61 -0.00 -1.26 -0.50 117.44 116.26 2sqc n TRP 216 Ca 0.00 0.88 -0.03 0.00 -0.00 0.00 0.00 57.50 58.35 2sqc n TRP 216 Cb 0.00 -0.77 0.08 0.00 -0.00 0.00 0.00 31.31 30.63 2sqc n TRP 216 CO 0.00 0.00 0.00 0.97 -0.00 0.00 0.00 177.69 178.66 2sqc h ILE 217 N 0.00 1.17 -0.11 5.87 2.10 -1.99 -0.35 117.51 124.21 2sqc h ILE 217 Ca 0.25 -0.36 -0.17 0.00 1.08 0.00 0.00 64.86 65.66 2sqc h ILE 217 Cb 0.43 0.02 -0.01 0.00 -1.09 0.00 0.00 36.82 36.17 2sqc h ILE 217 CO -0.71 0.19 -0.65 -0.26 -1.08 0.00 0.00 178.15 175.65 2sqc h PHE 218 N 1.06 0.54 -0.23 2.19 0.04 -1.14 -0.73 116.94 118.66 2sqc h PHE 218 Ca 0.31 -0.22 -0.18 0.00 2.80 0.00 0.00 57.97 60.68 2sqc h PHE 218 Cb -0.07 -0.09 -0.00 0.00 2.20 0.00 0.00 35.95 37.99 2sqc h PHE 218 CO -0.02 0.95 -0.58 -0.44 -0.60 0.00 0.00 178.31 177.61 2sqc h ASP 219 N 0.30 0.84 -0.45 2.17 3.32 -0.99 -1.77 116.42 119.85 2sqc h ASP 219 Ca -0.01 -0.46 -0.03 0.00 0.02 0.00 0.00 57.03 56.54 2sqc h ASP 219 Cb 1.19 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 40.48 2sqc h ASP 219 CO 0.11 1.24 0.16 0.00 -1.72 0.00 0.00 179.24 179.02 2sqc h ALA 220 N 0.78 0.58 -0.42 3.45 0.00 -0.90 -0.80 119.26 121.95 2sqc h ALA 220 Ca 0.00 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.72 2sqc h ALA 220 Cb 1.17 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.77 2sqc h ALA 220 CO 0.12 0.22 0.15 1.25 0.00 0.00 0.00 179.25 180.99 2sqc h LEU 221 N 0.58 0.60 -0.67 0.00 5.85 -1.12 -0.04 115.31 120.51 2sqc h LEU 221 Ca 0.15 -0.19 -0.02 0.00 0.84 0.00 0.00 57.88 58.66 2sqc h LEU 221 Cb 0.24 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 41.08 2sqc h LEU 221 CO -0.01 0.63 0.35 -0.78 -0.34 0.00 0.00 178.44 178.30 2sqc h ASP 222 N 0.54 0.85 -0.15 1.25 3.58 -1.09 0.83 116.42 122.24 2sqc h ASP 222 Ca 0.14 -0.11 0.00 0.00 0.42 0.00 0.00 57.03 57.48 2sqc h ASP 222 Cb 0.23 -0.22 -0.01 0.00 1.72 0.00 0.00 39.33 41.06 2sqc h ASP 222 CO -0.01 0.72 0.09 -0.09 -2.88 0.00 0.00 179.24 177.08 2sqc h ARG 223 N 0.92 0.19 -0.75 0.28 2.43 -0.92 -1.59 114.38 114.95 2sqc h ARG 223 Ca 0.23 -0.01 0.04 0.00 -0.81 0.00 0.00 59.98 59.43 2sqc h ARG 223 Cb 0.07 -0.04 -0.05 0.00 -0.42 0.00 0.00 29.97 29.53 2sqc h ARG 223 CO -0.03 0.14 0.46 0.00 -1.51 0.00 0.00 179.97 179.03 2sqc h ALA 224 N 1.04 1.00 -0.41 2.80 0.00 -0.67 0.07 119.26 123.09 2sqc h ALA 224 Ca 0.05 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.88 2sqc h ALA 224 Cb -0.01 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 2sqc h ALA 224 CO -0.01 0.22 -0.02 -0.07 0.00 0.00 0.00 179.25 179.38 2sqc h LEU 225 N 0.88 0.63 -0.55 0.00 3.38 -0.54 0.46 115.31 119.57 2sqc h LEU 225 Ca 0.31 -0.14 -0.15 0.00 0.09 0.00 0.00 57.88 57.99 2sqc h LEU 225 Cb 0.08 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 2sqc h LEU 225 CO -0.14 0.72 -0.42 0.45 0.09 0.00 0.00 178.44 179.14 2sqc h HIS 226 N 0.63 0.83 -0.36 1.13 3.86 -0.54 -0.21 115.15 120.49 2sqc h HIS 226 Ca 0.13 -0.25 -0.03 0.00 -1.16 0.00 0.00 60.37 59.05 2sqc h HIS 226 Cb 0.42 -0.17 -0.01 0.00 1.06 0.00 0.00 27.41 28.70 2sqc h HIS 226 CO 0.02 0.99 0.09 0.78 0.86 0.00 0.00 177.93 180.67 2sqc h GLY 227 N 0.96 0.61 0.86 2.45 0.00 -0.42 -2.38 103.07 105.16 2sqc h GLY 227 Ca 0.04 -0.38 0.04 0.00 0.00 0.00 0.00 47.33 47.03 2sqc h GLY 227 CO 0.09 0.36 0.66 -1.82 0.00 0.00 0.00 176.54 175.82 2sqc h TYR 228 N 0.43 1.23 -0.89 5.60 3.20 0.09 -1.68 116.97 124.96 2sqc h TYR 228 Ca 0.11 0.03 0.12 0.00 3.14 0.00 0.00 58.73 62.13 2sqc h TYR 228 Cb 0.30 -0.41 -0.07 0.00 1.54 0.00 0.00 36.73 38.09 2sqc h TYR 228 CO 0.02 0.70 0.57 0.37 -1.64 0.00 0.00 178.16 178.17 2sqc h GLN 229 N 1.26 0.76 0.00 1.82 5.75 -0.53 -1.35 115.11 122.81 2sqc h GLN 229 Ca 0.41 -0.05 -0.05 0.00 -0.15 0.00 0.00 58.65 58.81 2sqc h GLN 229 Cb 0.03 -0.17 -0.01 0.00 1.07 0.00 0.00 27.48 28.40 2sqc h GLN 229 CO -0.13 0.50 -0.23 0.87 -2.65 0.00 0.00 178.83 177.18 2sqc h LYS 230 N 0.78 0.00 -7.19 1.69 1.57 -0.93 -3.45 116.57 109.04 2sqc h LYS 230 Ca 0.43 0.00 -0.54 0.00 -1.87 0.00 0.00 60.65 58.67 2sqc h LYS 230 Cb 0.57 0.00 0.19 0.00 0.08 0.00 0.00 32.23 33.06 2sqc h LYS 230 CO -0.19 0.23 0.29 1.28 -0.57 0.00 0.00 179.45 180.49 2sqc n LEU 231 N -3.55 4.16 -0.01 2.94 4.77 -0.51 -4.94 117.00 119.86 2sqc n LEU 231 Ca -0.01 0.56 -0.08 0.00 -0.03 0.00 0.00 56.01 56.45 2sqc n LEU 231 Cb 0.38 -1.50 -0.14 0.00 -2.33 0.00 0.00 43.42 39.84 2sqc n LEU 231 CO 0.33 -1.80 -0.42 0.77 -1.33 0.00 0.00 177.39 174.93 2sqc h SER 232 N -1.02 0.00 -3.84 -1.43 4.64 -1.87 -3.46 113.55 106.57 2sqc h SER 232 Ca -0.46 0.00 -0.68 0.00 -0.47 0.00 0.00 61.79 60.18 2sqc h SER 232 Cb 1.30 0.00 -0.27 0.00 -0.31 0.00 0.00 62.40 63.11 2sqc h SER 232 CO 0.45 1.00 -0.81 0.68 -0.87 0.00 0.00 176.83 177.28 2sqc s VAL 233 N -2.62 2.70 -0.41 0.95 -7.23 -1.26 -5.08 120.40 107.45 2sqc s VAL 233 Ca -0.04 -0.83 0.01 0.00 -1.81 0.00 0.00 61.98 59.32 2sqc s VAL 233 Cb 0.08 -2.05 0.13 0.00 0.56 0.00 0.00 36.38 35.10 2sqc s VAL 233 CO 0.82 0.57 0.22 -1.00 -0.31 0.00 0.00 175.10 175.40 2sqc s HIS 234 N -0.24 1.79 0.15 2.82 0.09 -1.26 -5.11 115.29 113.53 2sqc s HIS 234 Ca 0.00 -2.24 -0.34 0.00 -0.00 0.00 0.00 55.06 52.48 2sqc s HIS 234 Cb -0.13 -1.74 -0.15 0.00 -0.00 0.00 0.00 32.58 30.56 2sqc s HIS 234 CO 0.03 -0.80 1.47 -2.30 -0.00 0.00 0.00 174.74 173.14 2sqc n PRO 235 N 3.77 1.81 -0.83 8.40 -0.02 -1.26 -1.61 135.00 145.26 2sqc n PRO 235 Ca 0.08 0.65 0.00 0.00 -2.02 0.00 0.00 63.50 62.21 2sqc n PRO 235 Cb 0.36 -2.36 0.00 0.00 -0.02 0.00 0.00 33.50 31.48 2sqc n PRO 235 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 2sqc n PHE 236 N 2.87 0.00 -0.10 6.00 3.72 -1.26 -4.89 117.46 123.80 2sqc n PHE 236 Ca 0.17 0.00 -0.10 0.00 -0.05 0.00 0.00 57.45 57.46 2sqc n PHE 236 Cb 0.26 -0.68 -0.03 0.00 -0.94 0.00 0.00 39.48 38.09 2sqc n PHE 236 CO 0.00 0.00 0.00 -0.09 -0.05 0.00 0.00 176.76 176.62 2sqc h ARG 237 N 1.48 0.47 -0.52 -1.08 2.43 -1.74 0.04 114.38 115.45 2sqc h ARG 237 Ca 0.00 -0.10 0.06 0.00 -0.81 0.00 0.00 59.98 59.12 2sqc h ARG 237 Cb 0.09 -0.07 -0.05 0.00 -0.42 0.00 0.00 29.97 29.52 2sqc h ARG 237 CO 0.00 0.52 0.24 -0.09 -1.51 0.00 0.00 179.97 179.14 2sqc h ARG 238 N 0.33 0.45 -0.90 0.20 2.43 -1.90 0.96 114.38 115.94 2sqc h ARG 238 Ca 0.10 -0.03 0.02 0.00 -0.81 0.00 0.00 59.98 59.26 2sqc h ARG 238 Cb 0.25 -0.10 -0.05 0.00 -0.42 0.00 0.00 29.97 29.65 2sqc h ARG 238 CO -0.00 0.30 0.59 0.00 -1.51 0.00 0.00 179.97 179.35 2sqc h ALA 239 N 1.31 1.16 -0.72 2.80 0.00 -1.88 -0.79 119.26 121.14 2sqc h ALA 239 Ca 0.24 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 55.04 2sqc h ALA 239 Cb 0.19 -0.35 -0.03 0.00 0.00 0.00 0.00 17.79 17.60 2sqc h ALA 239 CO -0.19 0.51 0.24 0.00 0.00 0.00 0.00 179.25 179.80 2sqc h ALA 240 N 1.35 0.95 -0.69 0.00 0.00 0.23 -1.68 119.26 119.41 2sqc h ALA 240 Ca 0.34 -0.22 -0.07 0.00 0.00 0.00 0.00 54.91 54.96 2sqc h ALA 240 Cb -0.09 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.39 2sqc h ALA 240 CO -0.09 0.62 0.15 0.93 0.00 0.00 0.00 179.25 180.86 2sqc h GLU 241 N 1.06 1.11 -0.57 0.00 5.08 -0.24 -1.23 114.58 119.79 2sqc h GLU 241 Ca 0.23 -0.27 -0.07 0.00 -1.00 0.00 0.00 59.36 58.25 2sqc h GLU 241 Cb 0.29 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.37 2sqc h GLU 241 CO -0.01 0.99 0.07 0.82 -1.00 0.00 0.00 179.01 179.88 2sqc h ILE 242 N 1.05 1.26 -0.75 3.13 2.04 -0.98 0.67 117.51 123.93 2sqc h ILE 242 Ca 0.22 -1.03 0.02 0.00 1.00 0.00 0.00 64.86 65.07 2sqc h ILE 242 Cb 0.39 0.80 -0.04 0.00 -0.74 0.00 0.00 36.82 37.23 2sqc h ILE 242 CO 0.00 0.37 0.48 0.03 0.00 0.00 0.00 178.15 179.04 2sqc h ARG 243 N 0.86 0.93 -0.26 2.37 3.08 -0.86 -0.36 114.38 120.12 2sqc h ARG 243 Ca 0.17 -0.06 -0.02 0.00 0.07 0.00 0.00 59.98 60.15 2sqc h ARG 243 Cb 0.46 -0.21 -0.01 0.00 0.08 0.00 0.00 29.97 30.29 2sqc h ARG 243 CO 0.02 0.61 0.11 0.00 -1.07 0.00 0.00 179.97 179.63 2sqc h ALA 244 N 1.30 0.34 -0.19 0.04 0.00 -0.73 -1.58 119.26 118.46 2sqc h ALA 244 Ca 0.29 -0.12 0.02 0.00 0.00 0.00 0.00 54.91 55.11 2sqc h ALA 244 Cb -0.03 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 2sqc h ALA 244 CO -0.09 -0.06 0.04 1.25 0.00 0.00 0.00 179.25 180.38 2sqc h LEU 245 N 0.28 0.01 -0.75 0.00 5.85 -0.73 -1.86 115.31 118.10 2sqc h LEU 245 Ca 0.09 0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.83 2sqc h LEU 245 Cb 0.18 0.04 -0.04 0.00 0.37 0.00 0.00 40.66 41.21 2sqc h LEU 245 CO -0.01 0.03 0.43 0.44 -0.34 0.00 0.00 178.44 178.99 2sqc h ASP 246 N 0.11 0.93 -0.30 1.25 3.32 -1.01 0.11 116.42 120.83 2sqc h ASP 246 Ca 0.08 -0.09 0.04 0.00 0.02 0.00 0.00 57.03 57.08 2sqc h ASP 246 Cb 0.08 -0.24 -0.03 0.00 0.22 0.00 0.00 39.33 39.36 2sqc h ASP 246 CO -0.11 0.75 0.09 -0.25 -1.72 0.00 0.00 179.24 178.00 2sqc h TRP 247 N 1.04 0.16 -0.52 4.55 7.01 -1.04 -0.23 115.95 126.91 2sqc h TRP 247 Ca 0.27 0.02 -0.05 0.00 2.11 0.00 0.00 58.89 61.23 2sqc h TRP 247 Cb 0.01 -0.03 -0.02 0.00 -2.10 0.00 0.00 29.16 27.02 2sqc h TRP 247 CO -0.00 0.07 0.14 -0.07 -2.79 0.00 0.00 178.44 175.78 2sqc h LEU 248 N 0.22 0.78 -0.59 0.65 3.38 -0.68 -3.05 115.31 116.03 2sqc h LEU 248 Ca 0.14 -0.22 -0.03 0.00 0.09 0.00 0.00 57.88 57.85 2sqc h LEU 248 Cb 0.12 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.63 2sqc h LEU 248 CO -0.15 0.80 0.26 -0.07 0.09 0.00 0.00 178.44 179.37 2sqc h LEU 249 N 0.73 0.80 -1.43 1.67 3.38 -0.33 -2.37 115.31 117.76 2sqc h LEU 249 Ca 0.17 -0.16 -0.02 0.00 0.09 0.00 0.00 57.88 57.96 2sqc h LEU 249 Cb 0.32 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 2sqc h LEU 249 CO -0.00 0.74 0.14 -0.33 0.09 0.00 0.00 178.44 179.07 2sqc h GLU 250 N 0.81 0.52 -0.02 1.13 5.08 -1.05 -3.24 114.58 117.81 2sqc h GLU 250 Ca 0.20 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.49 2sqc h GLU 250 Cb 0.17 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.32 2sqc h GLU 250 CO -0.02 0.44 -0.14 0.54 -1.00 0.00 0.00 179.01 178.83 2sqc n ARG 251 N -4.38 1.94 -1.58 2.33 1.74 -0.97 -4.99 116.66 110.75 2sqc n ARG 251 Ca 0.02 -1.62 -0.50 0.00 -0.77 0.00 0.00 57.85 54.99 2sqc n ARG 251 Cb 0.15 -1.45 -0.05 0.00 -1.02 0.00 0.00 32.46 30.09 2sqc n ARG 251 CO 0.00 0.00 0.00 0.94 -1.52 0.00 0.00 177.63 177.05 2sqc n GLN 252 N 0.91 1.13 -1.31 5.56 7.27 -0.93 -4.73 117.38 125.27 2sqc n GLN 252 Ca 0.12 0.40 -0.31 0.00 0.07 0.00 0.00 57.00 57.28 2sqc n GLN 252 Cb 0.54 -1.94 0.09 0.00 2.41 0.00 0.00 30.24 31.34 2sqc n GLN 252 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 2sqc s ALA 253 N 0.02 2.29 0.08 1.69 0.00 -0.27 -4.94 121.76 120.64 2sqc s ALA 253 Ca 0.77 0.27 0.33 0.00 0.00 0.00 0.00 51.96 53.34 2sqc s ALA 253 Cb -0.89 -3.27 1.51 0.00 0.00 0.00 0.00 23.12 20.47 2sqc s ALA 253 CO 0.51 -1.70 1.99 0.78 0.00 0.00 0.00 175.76 177.33 2sqc h GLY 254 N -1.03 0.00 -1.04 0.00 0.00 -1.85 -0.64 103.07 98.52 2sqc h GLY 254 Ca -0.44 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.89 2sqc h GLY 254 CO 0.52 0.00 0.00 2.09 0.00 0.00 0.00 176.54 179.15 2sqc n ASP 255 N -2.85 2.03 0.00 0.19 5.68 -1.25 -4.91 116.55 115.44 2sqc n ASP 255 Ca -0.00 -1.71 0.00 0.00 -0.50 0.00 0.00 54.79 52.58 2sqc n ASP 255 Cb 0.22 -0.06 0.00 0.00 -1.14 0.00 0.00 41.12 40.13 2sqc n ASP 255 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2sqc n GLY 256 N 1.23 1.81 3.92 6.12 0.00 -0.25 -4.21 105.19 113.81 2sqc n GLY 256 Ca 0.17 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.89 2sqc n GLY 256 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2sqc s SER 257 N -1.59 3.06 -0.28 1.61 1.04 -1.26 -4.00 113.70 112.28 2sqc s SER 257 Ca 0.00 0.27 -0.04 0.00 0.48 0.00 0.00 55.95 56.66 2sqc s SER 257 Cb 0.00 -0.32 0.02 0.00 0.10 0.00 0.00 66.02 65.82 2sqc s SER 257 CO 0.00 -2.77 0.02 0.26 0.98 0.00 0.00 173.24 171.73 2sqc s TRP 258 N -3.87 3.13 -0.98 5.02 0.51 -1.26 -1.12 118.94 120.37 2sqc s TRP 258 Ca 0.74 -1.30 0.00 0.00 -2.12 0.00 0.00 56.10 53.42 2sqc s TRP 258 Cb -0.04 -2.16 0.00 0.00 -0.81 0.00 0.00 33.47 30.46 2sqc s TRP 258 CO 0.53 -0.66 0.00 0.41 -0.51 0.00 0.00 176.95 176.72 2sqc n GLY 259 N 4.76 0.95 2.48 0.98 0.00 -1.26 -3.09 105.19 110.01 2sqc n GLY 259 Ca -0.15 -0.10 -0.17 0.00 0.00 0.00 0.00 46.02 45.60 2sqc n GLY 259 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2sqc n GLY 260 N -0.30 1.62 3.08 -0.02 0.00 -1.26 -4.98 105.19 103.33 2sqc n GLY 260 Ca -0.09 -0.23 -0.15 0.00 0.00 0.00 0.00 46.02 45.55 2sqc n GLY 260 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2sqc s ILE 261 N -2.62 0.67 0.13 -0.61 -4.36 -1.18 -4.18 121.20 109.06 2sqc s ILE 261 Ca 0.00 -1.06 -0.20 0.00 -0.26 0.00 0.00 60.65 59.13 2sqc s ILE 261 Cb 0.00 -0.70 -0.04 0.00 1.25 0.00 0.00 42.46 42.97 2sqc s ILE 261 CO 0.00 -0.29 1.72 -0.61 0.24 0.00 0.00 174.94 175.99 2sqc h GLN 262 N 4.59 0.04 0.67 0.37 -0.00 -1.54 -3.17 115.11 116.08 2sqc h GLN 262 Ca -0.36 -0.00 -0.03 0.00 -0.00 0.00 0.00 58.65 58.26 2sqc h GLN 262 Cb 1.20 -0.01 -0.00 0.00 0.00 0.00 0.00 27.48 28.67 2sqc h GLN 262 CO 0.41 0.02 -0.41 -1.35 0.00 0.00 0.00 178.83 177.51 2sqc h PRO 263 N 0.04 -0.97 -0.47 -2.39 0.11 -1.93 -1.33 132.00 125.06 2sqc h PRO 263 Ca 0.09 0.07 0.00 0.00 0.11 0.00 0.00 66.00 66.27 2sqc h PRO 263 Cb 0.12 0.22 -0.02 0.00 0.11 0.00 0.00 31.00 31.43 2sqc h PRO 263 CO -0.17 -0.65 0.31 -1.00 -0.21 0.00 0.00 178.00 176.29 2sqc h PRO 264 N -1.00 0.62 0.24 1.05 0.13 -1.85 -0.90 132.00 130.30 2sqc h PRO 264 Ca -0.09 -0.04 -0.01 0.00 -0.87 0.00 0.00 66.00 64.99 2sqc h PRO 264 Cb 0.80 -0.14 0.00 0.00 0.13 0.00 0.00 31.00 31.79 2sqc h PRO 264 CO 0.09 0.42 -0.12 2.35 -0.23 0.00 0.00 178.00 180.51 2sqc h TRP 265 N 0.64 -0.30 -0.58 1.56 2.91 -1.48 0.29 115.95 118.98 2sqc h TRP 265 Ca 0.17 -0.01 -0.10 0.00 1.13 0.00 0.00 58.89 60.09 2sqc h TRP 265 Cb -0.07 0.10 -0.02 0.00 -0.51 0.00 0.00 29.16 28.66 2sqc h TRP 265 CO 0.00 -0.19 -0.02 0.74 -1.03 0.00 0.00 178.44 177.94 2sqc h PHE 266 N -0.33 1.12 -0.15 2.65 -1.00 -0.78 -2.20 116.94 116.25 2sqc h PHE 266 Ca -0.03 -0.19 -0.14 0.00 2.81 0.00 0.00 57.97 60.41 2sqc h PHE 266 Cb 0.25 -0.29 -0.01 0.00 3.61 0.00 0.00 35.95 39.51 2sqc h PHE 266 CO -0.06 1.00 -0.51 1.88 -1.61 0.00 0.00 178.31 179.01 2sqc h TYR 267 N 0.94 0.50 -0.65 -0.55 0.05 -1.00 -2.18 116.97 114.08 2sqc h TYR 267 Ca 0.16 -0.17 -0.08 0.00 0.05 0.00 0.00 58.73 58.70 2sqc h TYR 267 Cb 0.57 -0.10 -0.03 0.00 1.01 0.00 0.00 36.73 38.18 2sqc h TYR 267 CO 0.04 0.83 0.08 0.00 -1.05 0.00 0.00 178.16 178.06 2sqc h ALA 268 N 1.14 0.92 -0.74 3.88 0.00 -0.29 -0.34 119.26 123.82 2sqc h ALA 268 Ca 0.01 -0.28 -0.04 0.00 0.00 0.00 0.00 54.91 54.60 2sqc h ALA 268 Cb 1.00 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.51 2sqc h ALA 268 CO 0.09 0.66 0.29 -0.07 0.00 0.00 0.00 179.25 180.22 2sqc h LEU 269 N 1.01 1.02 -0.60 0.00 3.38 -1.14 0.65 115.31 119.63 2sqc h LEU 269 Ca 0.20 -0.16 -0.12 0.00 0.09 0.00 0.00 57.88 57.88 2sqc h LEU 269 Cb 0.46 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 2sqc h LEU 269 CO 0.02 0.91 -0.22 0.40 0.09 0.00 0.00 178.44 179.64 2sqc h ILE 270 N 1.08 1.27 -0.43 1.22 2.04 -1.11 -0.66 117.51 120.91 2sqc h ILE 270 Ca 0.25 -1.36 -0.01 0.00 1.00 0.00 0.00 64.86 64.74 2sqc h ILE 270 Cb 0.22 1.17 -0.02 0.00 -0.74 0.00 0.00 36.82 37.44 2sqc h ILE 270 CO -0.02 0.46 0.22 0.00 0.00 0.00 0.00 178.15 178.81 2sqc h ALA 271 N 0.98 0.56 -0.66 1.87 0.00 -0.49 -0.35 119.26 121.17 2sqc h ALA 271 Ca 0.10 -0.10 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 2sqc h ALA 271 Cb 0.76 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.35 2sqc h ALA 271 CO 0.06 0.10 0.22 -0.07 0.00 0.00 0.00 179.25 179.56 2sqc h LEU 272 N 0.56 0.95 -0.24 0.00 3.38 -0.66 -2.09 115.31 117.21 2sqc h LEU 272 Ca 0.15 -0.20 0.05 0.00 0.09 0.00 0.00 57.88 57.97 2sqc h LEU 272 Cb 0.09 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.55 2sqc h LEU 272 CO -0.02 0.89 -0.05 0.50 0.09 0.00 0.00 178.44 179.85 2sqc h LYS 273 N 0.95 0.01 0.00 1.13 1.63 -0.72 0.02 116.57 119.59 2sqc h LYS 273 Ca 0.21 -0.00 -0.03 0.00 -0.85 0.00 0.00 60.65 59.98 2sqc h LYS 273 Cb 0.28 -0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 31.90 2sqc h LYS 273 CO -0.01 0.01 -0.16 0.82 -3.45 0.00 0.00 179.45 176.66 2sqc h ILE 274 N 0.01 1.06 -0.15 2.00 5.03 -0.74 -1.25 117.51 123.48 2sqc h ILE 274 Ca 0.11 -0.55 0.00 0.00 -0.12 0.00 0.00 64.86 64.30 2sqc h ILE 274 Cb 0.17 1.30 0.00 0.00 -3.03 0.00 0.00 36.82 35.26 2sqc h ILE 274 CO -0.24 0.16 0.00 0.18 -0.68 0.00 0.00 178.15 177.57 2sqc n LEU 275 N -4.27 1.32 -3.46 1.44 4.77 -0.82 -4.91 117.00 111.08 2sqc n LEU 275 Ca -0.02 -0.57 -0.20 0.00 -0.03 0.00 0.00 56.01 55.18 2sqc n LEU 275 Cb 0.23 -0.10 0.08 0.00 -2.33 0.00 0.00 43.42 41.30 2sqc n LEU 275 CO 0.35 0.29 0.18 0.47 -1.33 0.00 0.00 177.39 177.35 2sqc n ASP 276 N 0.11 -4.38 -1.49 -1.43 8.00 -0.47 -4.92 116.55 111.97 2sqc n ASP 276 Ca 0.15 -0.56 -0.12 0.00 0.71 0.00 0.00 54.79 54.96 2sqc n ASP 276 Cb 0.26 -4.97 0.15 0.00 -0.02 0.00 0.00 41.12 36.55 2sqc n ASP 276 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04 2sqc n MET 277 N -4.52 2.27 0.15 -1.24 2.81 -0.04 -4.70 117.12 111.86 2sqc n MET 277 Ca -0.12 -3.39 0.13 0.00 -1.81 0.00 0.00 57.70 52.50 2sqc n MET 277 Cb 0.61 -1.97 0.49 0.00 -0.71 0.00 0.00 33.22 31.64 2sqc n MET 277 CO 0.00 0.00 0.00 1.79 1.51 0.00 0.00 175.97 179.27 2sqc h THR 278 N 1.23 0.00 -0.56 2.03 1.35 -1.86 -1.77 112.91 113.33 2sqc h THR 278 Ca 0.31 -0.35 0.00 0.00 -0.55 0.00 0.00 66.41 65.81 2sqc h THR 278 Cb 1.57 1.19 0.00 0.00 -1.73 0.00 0.00 68.15 69.18 2sqc h THR 278 CO 0.61 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 175.88 2sqc n GLN 279 N -2.40 3.46 -3.76 4.72 1.13 -1.26 -4.55 117.38 114.71 2sqc n GLN 279 Ca 0.03 -2.49 -0.37 0.00 -1.94 0.00 0.00 57.00 52.23 2sqc n GLN 279 Cb 0.29 -1.85 -0.06 0.00 0.11 0.00 0.00 30.24 28.74 2sqc n GLN 279 CO 0.00 0.00 0.00 -1.58 -1.44 0.00 0.00 177.06 174.04 2sqc s HIS 280 N -1.87 3.62 0.42 1.08 2.46 -0.66 -4.99 115.29 115.34 2sqc s HIS 280 Ca 0.44 0.65 0.18 0.00 0.47 0.00 0.00 55.06 56.80 2sqc s HIS 280 Cb 0.29 -2.03 1.10 0.00 -0.13 0.00 0.00 32.58 31.81 2sqc s HIS 280 CO 0.21 0.69 1.85 -1.35 -2.47 0.00 0.00 174.74 173.66 2sqc h PRO 281 N 4.65 0.38 -0.64 2.88 0.11 -1.91 -0.87 132.00 136.60 2sqc h PRO 281 Ca -0.53 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.55 2sqc h PRO 281 Cb 1.22 -0.09 -0.03 0.00 0.11 0.00 0.00 31.00 32.21 2sqc h PRO 281 CO 0.61 0.25 0.37 0.00 -0.21 0.00 0.00 178.00 179.02 2sqc h ALA 282 N 1.61 0.81 -0.21 -0.75 0.00 -1.94 0.14 119.26 118.92 2sqc h ALA 282 Ca 0.48 -0.09 -0.08 0.00 0.00 0.00 0.00 54.91 55.23 2sqc h ALA 282 Cb 1.23 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.76 2sqc h ALA 282 CO -0.18 0.30 -0.17 0.35 0.00 0.00 0.00 179.25 179.55 2sqc h PHE 283 N 0.86 0.57 0.17 0.00 3.57 -1.44 -0.35 116.94 120.32 2sqc h PHE 283 Ca 0.23 -0.16 -0.01 0.00 3.53 0.00 0.00 57.97 61.56 2sqc h PHE 283 Cb 0.00 -0.12 0.00 0.00 2.79 0.00 0.00 35.95 38.62 2sqc h PHE 283 CO -0.01 0.82 -0.09 0.82 -2.23 0.00 0.00 178.31 177.62 2sqc h ILE 284 N 0.16 0.82 -0.42 1.41 2.04 -1.11 0.18 117.51 120.60 2sqc h ILE 284 Ca 0.04 0.00 -0.09 0.00 1.00 0.00 0.00 64.86 65.81 2sqc h ILE 284 Cb 0.71 0.82 -0.02 0.00 -0.74 0.00 0.00 36.82 37.59 2sqc h ILE 284 CO 0.04 0.00 -0.11 0.50 0.00 0.00 0.00 178.15 178.58 2sqc h LYS 285 N -0.24 0.74 -0.81 2.37 1.63 -1.05 -1.24 116.57 117.98 2sqc h LYS 285 Ca -0.02 -0.24 -0.02 0.00 -0.85 0.00 0.00 60.65 59.52 2sqc h LYS 285 Cb 0.19 -0.06 -0.04 0.00 -0.60 0.00 0.00 32.23 31.71 2sqc h LYS 285 CO 0.03 0.83 0.43 0.78 -3.45 0.00 0.00 179.45 178.07 2sqc h GLY 286 N 0.97 1.22 0.52 5.01 0.00 -0.77 -0.67 103.07 109.36 2sqc h GLY 286 Ca 0.12 -0.57 -0.00 0.00 0.00 0.00 0.00 47.33 46.87 2sqc h GLY 286 CO 0.04 0.55 -0.03 -0.25 0.00 0.00 0.00 176.54 176.84 2sqc h TRP 287 N 1.13 -0.07 -0.37 5.60 2.91 -0.44 -3.27 115.95 121.45 2sqc h TRP 287 Ca 0.28 -0.00 0.00 0.00 1.13 0.00 0.00 58.89 60.30 2sqc h TRP 287 Cb 0.06 0.02 -0.02 0.00 -0.51 0.00 0.00 29.16 28.72 2sqc h TRP 287 CO 0.01 0.38 0.24 0.93 -1.03 0.00 0.00 178.44 178.97 2sqc h GLU 288 N -0.56 0.48 0.00 2.65 5.08 -1.20 -2.42 114.58 118.62 2sqc h GLU 288 Ca -0.01 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 2sqc h GLU 288 Cb 0.49 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.63 2sqc h GLU 288 CO 0.01 0.32 0.00 0.78 -1.00 0.00 0.00 179.01 179.12 2sqc h GLY 289 N 0.50 0.00 0.62 -3.84 0.00 -1.16 -3.19 103.07 95.99 2sqc h GLY 289 Ca 0.13 0.00 0.11 0.00 0.00 0.00 0.00 47.33 47.58 2sqc h GLY 289 CO -0.03 0.00 0.59 1.41 0.00 0.00 0.00 176.54 178.51 2sqc h LEU 290 N 0.00 0.79 -1.73 3.11 3.38 -1.51 -2.51 115.31 116.84 2sqc h LEU 290 Ca 0.00 0.03 0.07 0.00 0.09 0.00 0.00 57.88 58.08 2sqc h LEU 290 Cb 0.37 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 40.97 2sqc h LEU 290 CO 0.00 0.44 0.32 -0.33 0.09 0.00 0.00 178.44 178.96 2sqc h GLU 291 N 0.86 0.31 -0.07 1.13 4.39 -1.77 -1.43 114.58 117.99 2sqc h GLU 291 Ca 0.44 -0.02 0.02 0.00 0.34 0.00 0.00 59.36 60.14 2sqc h GLU 291 Cb 0.51 -0.07 -0.00 0.00 -0.10 0.00 0.00 28.75 29.08 2sqc h GLU 291 CO -0.20 0.20 0.06 1.25 -1.16 0.00 0.00 179.01 179.16 2sqc h LEU 292 N 0.32 0.00 -0.56 1.33 5.85 -1.70 -1.82 115.31 118.74 2sqc h LEU 292 Ca 0.21 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.93 2sqc h LEU 292 Cb 0.42 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.45 2sqc h LEU 292 CO -0.05 0.00 -0.33 -1.22 -0.34 0.00 0.00 178.44 176.50 2sqc n TYR 293 N -4.35 0.00 -3.09 1.25 4.02 -0.55 -4.90 117.16 109.55 2sqc n TYR 293 Ca -0.01 0.00 -0.34 0.00 -0.01 0.00 0.00 57.90 57.54 2sqc n TYR 293 Cb 0.16 -0.10 -0.06 0.00 -0.02 0.00 0.00 39.34 39.32 2sqc n TYR 293 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 176.86 176.05 2sqc s GLY 294 N -2.54 2.43 -0.09 2.72 0.00 -0.69 -0.92 107.32 108.23 2sqc s GLY 294 Ca 0.22 0.12 0.00 0.00 0.00 0.00 0.00 44.72 45.06 2sqc s GLY 294 CO 0.55 0.39 -0.07 0.14 0.00 0.00 0.00 173.10 174.11 2sqc s VAL 295 N -1.86 0.90 -0.09 1.40 1.01 0.08 -4.95 120.40 116.88 2sqc s VAL 295 Ca 0.52 -0.24 -0.30 0.00 0.00 0.00 0.00 61.98 61.96 2sqc s VAL 295 Cb -0.12 -0.92 -0.02 0.00 0.00 0.00 0.00 36.38 35.32 2sqc s VAL 295 CO 0.18 0.34 1.16 -1.61 0.00 0.00 0.00 175.10 175.16 2sqc s GLU 296 N 1.50 4.35 0.24 2.72 0.41 -1.26 -1.47 118.70 125.19 2sqc s GLU 296 Ca 0.00 1.59 -0.03 0.00 -0.41 0.00 0.00 54.97 56.13 2sqc s GLU 296 Cb -0.13 -3.59 -0.05 0.00 -1.78 0.00 0.00 34.13 28.59 2sqc s GLU 296 CO -0.05 -0.46 0.47 -0.51 -0.49 0.00 0.00 175.26 174.21 2sqc s LEU 297 N 2.40 4.15 0.59 1.80 1.43 0.84 -4.99 118.68 124.89 2sqc s LEU 297 Ca 0.53 0.55 0.31 0.00 -1.03 0.00 0.00 54.13 54.49 2sqc s LEU 297 Cb -0.22 -3.34 1.82 0.00 0.03 0.00 0.00 46.19 44.48 2sqc s LEU 297 CO 0.19 -0.12 2.24 -2.24 0.23 0.00 0.00 176.35 176.65 2sqc h ASP 298 N 1.84 0.00 -0.53 2.29 3.04 -1.95 0.08 116.42 121.19 2sqc h ASP 298 Ca -0.48 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.31 2sqc h ASP 298 Cb 1.19 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.48 2sqc h ASP 298 CO 0.67 0.02 0.00 0.00 -2.04 0.00 0.00 179.24 177.89 2sqc n TYR 299 N -3.74 1.03 -0.14 4.15 0.18 -1.26 -4.91 117.16 112.47 2sqc n TYR 299 Ca -0.03 -0.44 0.00 0.00 1.88 0.00 0.00 57.90 59.32 2sqc n TYR 299 Cb 0.11 -0.13 0.00 0.00 -0.38 0.00 0.00 39.34 38.94 2sqc n TYR 299 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 2sqc n GLY 300 N 1.13 0.57 3.96 -7.48 0.00 0.02 -5.04 105.19 98.34 2sqc n GLY 300 Ca 0.20 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.95 2sqc n GLY 300 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2sqc s GLY 301 N -1.18 1.78 0.01 -0.02 0.00 -1.24 -4.58 107.32 102.08 2sqc s GLY 301 Ca 0.00 -1.49 0.00 0.00 0.00 0.00 0.00 44.72 43.24 2sqc s GLY 301 CO 0.00 -0.78 -0.01 0.86 0.00 0.00 0.00 173.10 173.17 2sqc s TRP 302 N -3.58 0.10 0.20 1.90 -0.00 -1.08 -0.11 118.94 116.37 2sqc s TRP 302 Ca 0.71 -0.14 0.03 0.00 -0.00 0.00 0.00 56.10 56.70 2sqc s TRP 302 Cb -0.04 -0.07 -0.05 0.00 -0.00 0.00 0.00 33.47 33.31 2sqc s TRP 302 CO 0.50 -0.05 -0.01 0.00 -0.00 0.00 0.00 176.95 177.39 2sqc s MET 303 N -0.39 1.22 -0.14 5.86 0.23 -0.54 -4.51 119.30 121.03 2sqc s MET 303 Ca -0.04 -1.60 0.02 0.00 -1.03 0.00 0.00 55.69 53.04 2sqc s MET 303 Cb -0.03 -0.46 0.01 0.00 -1.53 0.00 0.00 34.83 32.82 2sqc s MET 303 CO -0.00 -0.10 -0.22 0.12 -2.03 0.00 0.00 175.02 172.79 2sqc s PHE 304 N -3.52 2.66 0.09 3.16 5.36 -1.26 -0.74 117.98 123.73 2sqc s PHE 304 Ca 0.26 -1.34 -0.30 0.00 -0.96 0.00 0.00 56.93 54.59 2sqc s PHE 304 Cb 0.06 -1.81 -0.06 0.00 -0.34 0.00 0.00 43.02 40.87 2sqc s PHE 304 CO 0.06 -0.61 1.07 -0.65 -1.46 0.00 0.00 175.22 173.63 2sqc s GLN 305 N 0.81 4.57 0.38 10.12 -0.21 -0.10 -4.75 119.66 130.48 2sqc s GLN 305 Ca -0.07 1.60 0.06 0.00 0.02 0.00 0.00 55.36 56.97 2sqc s GLN 305 Cb -0.16 -3.36 0.76 0.00 1.00 0.00 0.00 33.01 31.26 2sqc s GLN 305 CO -0.02 -0.00 2.01 0.00 -2.12 0.00 0.00 175.29 175.16 2sqc h ALA 306 N 6.00 1.68 -2.99 6.09 0.00 -1.91 -3.43 119.26 124.70 2sqc h ALA 306 Ca -0.43 -0.03 -0.10 0.00 0.00 0.00 0.00 54.91 54.36 2sqc h ALA 306 Cb 1.21 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.79 2sqc h ALA 306 CO 0.75 0.26 0.16 0.45 0.00 0.00 0.00 179.25 180.87 2sqc s SER 307 N -6.43 0.30 -0.02 0.00 0.15 -1.26 -1.50 113.70 104.93 2sqc s SER 307 Ca -0.09 -1.30 0.04 0.00 0.70 0.00 0.00 55.95 55.30 2sqc s SER 307 Cb 0.18 0.82 -0.01 0.00 -1.71 0.00 0.00 66.02 65.31 2sqc s SER 307 CO 0.76 -1.63 -0.13 0.27 1.20 0.00 0.00 173.24 173.71 2sqc s ILE 308 N -2.31 1.02 -0.38 6.45 -4.36 -1.26 -4.60 121.20 115.75 2sqc s ILE 308 Ca 0.20 -0.53 0.06 0.00 -0.26 0.00 0.00 60.65 60.12 2sqc s ILE 308 Cb -0.04 -0.87 0.49 0.00 1.25 0.00 0.00 42.46 43.29 2sqc s ILE 308 CO 0.14 0.30 1.53 -1.54 0.24 0.00 0.00 174.94 175.61 2sqc n SER 309 N 2.96 4.33 -0.27 4.36 3.41 -1.26 -3.57 113.62 123.56 2sqc n SER 309 Ca -0.16 -3.78 -0.05 0.00 -0.26 0.00 0.00 58.87 54.62 2sqc n SER 309 Cb 0.55 -0.63 0.06 0.00 -0.26 0.00 0.00 64.21 63.92 2sqc n SER 309 CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 175.04 176.43 2sqc h PRO 310 N 1.55 1.07 -0.36 4.33 0.13 -1.76 0.39 132.00 137.35 2sqc h PRO 310 Ca 0.37 -0.14 -0.04 0.00 -0.87 0.00 0.00 66.00 65.32 2sqc h PRO 310 Cb 1.51 -0.20 -0.01 0.00 0.13 0.00 0.00 31.00 32.43 2sqc h PRO 310 CO 0.79 0.81 0.06 0.28 -0.23 0.00 0.00 178.00 179.71 2sqc h VAL 311 N 1.05 1.24 0.02 1.56 2.07 -1.57 -0.12 116.25 120.49 2sqc h VAL 311 Ca 0.26 -0.85 -0.00 0.00 0.82 0.00 0.00 66.70 66.94 2sqc h VAL 311 Cb 0.08 1.09 0.00 0.00 -1.52 0.00 0.00 31.29 30.93 2sqc h VAL 311 CO -0.04 0.29 -0.01 -0.25 0.02 0.00 0.00 177.57 177.58 2sqc h TRP 312 N 0.44 -0.03 -0.64 1.57 2.91 -1.66 0.38 115.95 118.92 2sqc h TRP 312 Ca 0.11 -0.00 0.07 0.00 1.13 0.00 0.00 58.89 60.20 2sqc h TRP 312 Cb 0.36 0.01 -0.06 0.00 -0.51 0.00 0.00 29.16 28.96 2sqc h TRP 312 CO 0.02 0.11 0.32 -0.44 -1.03 0.00 0.00 178.44 177.42 2sqc h ASP 313 N -0.15 0.43 0.10 2.65 3.32 -0.85 -1.32 116.42 120.60 2sqc h ASP 313 Ca -0.00 0.05 -0.00 0.00 0.02 0.00 0.00 57.03 57.09 2sqc h ASP 313 Cb 0.14 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 39.67 2sqc h ASP 313 CO 0.00 0.26 -0.05 0.74 -1.72 0.00 0.00 179.24 178.48 2sqc h THR 314 N 0.57 1.03 -0.86 0.35 2.02 -0.64 -1.14 112.91 114.23 2sqc h THR 314 Ca 0.31 -0.49 0.05 0.00 0.77 0.00 0.00 66.41 67.04 2sqc h THR 314 Cb 0.28 1.34 -0.06 0.00 -1.74 0.00 0.00 68.15 67.97 2sqc h THR 314 CO -0.23 0.12 0.54 1.23 0.37 0.00 0.00 175.52 177.55 2sqc h GLY 315 N -0.36 1.27 1.01 2.16 0.00 -0.77 -1.30 103.07 105.08 2sqc h GLY 315 Ca -0.01 -0.40 -0.09 0.00 0.00 0.00 0.00 47.33 46.82 2sqc h GLY 315 CO 0.02 0.31 -0.05 1.41 0.00 0.00 0.00 176.54 178.23 2sqc h LEU 316 N 1.03 0.85 -0.64 3.11 3.38 -1.21 -2.47 115.31 119.36 2sqc h LEU 316 Ca 0.36 -0.34 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 2sqc h LEU 316 Cb 0.09 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.58 2sqc h LEU 316 CO -0.14 0.98 0.34 0.00 0.09 0.00 0.00 178.44 179.71 2sqc h ALA 317 N 0.89 0.82 -0.06 1.53 0.00 -0.76 -0.43 119.26 121.25 2sqc h ALA 317 Ca 0.12 -0.11 0.01 0.00 0.00 0.00 0.00 54.91 54.93 2sqc h ALA 317 Cb 0.58 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 2sqc h ALA 317 CO 0.03 0.34 0.01 0.28 0.00 0.00 0.00 179.25 179.91 2sqc h VAL 318 N 0.87 0.97 -0.90 0.00 2.07 -1.17 -0.94 116.25 117.15 2sqc h VAL 318 Ca 0.22 -0.01 0.05 0.00 0.82 0.00 0.00 66.70 67.78 2sqc h VAL 318 Cb 0.06 0.94 -0.06 0.00 -1.52 0.00 0.00 31.29 30.71 2sqc h VAL 318 CO -0.03 0.01 0.57 -0.07 0.02 0.00 0.00 177.57 178.06 2sqc h LEU 319 N 0.03 0.93 -0.33 2.57 3.38 -1.15 -0.64 115.31 120.10 2sqc h LEU 319 Ca 0.03 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.96 2sqc h LEU 319 Cb 0.02 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.56 2sqc h LEU 319 CO -0.04 0.62 0.05 0.00 0.09 0.00 0.00 178.44 179.16 2sqc h ALA 320 N 1.39 0.44 -0.28 1.53 0.00 -0.79 0.10 119.26 121.65 2sqc h ALA 320 Ca 0.37 -0.21 -0.13 0.00 0.00 0.00 0.00 54.91 54.94 2sqc h ALA 320 Cb 0.08 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 2sqc h ALA 320 CO -0.14 0.14 -0.37 -0.07 0.00 0.00 0.00 179.25 178.81 2sqc h LEU 321 N 0.37 0.66 -0.50 0.00 3.38 -0.91 0.99 115.31 119.30 2sqc h LEU 321 Ca 0.10 -0.28 -0.08 0.00 0.09 0.00 0.00 57.88 57.71 2sqc h LEU 321 Cb 0.36 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.91 2sqc h LEU 321 CO 0.01 0.96 -0.00 0.03 0.09 0.00 0.00 178.44 179.53 2sqc h ARG 322 N 0.52 0.89 -0.18 1.13 2.47 -1.06 -1.30 114.38 116.86 2sqc h ARG 322 Ca 0.05 -0.28 -0.07 0.00 -1.26 0.00 0.00 59.98 58.42 2sqc h ARG 322 Cb 0.87 -0.08 -0.01 0.00 -1.65 0.00 0.00 29.97 29.10 2sqc h ARG 322 CO 0.08 0.92 -0.20 0.00 0.56 0.00 0.00 179.97 181.33 2sqc h ALA 323 N 0.93 1.34 0.00 0.04 0.00 -0.52 -2.00 119.26 119.05 2sqc h ALA 323 Ca 0.14 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.78 2sqc h ALA 323 Cb 0.52 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.21 2sqc h ALA 323 CO 0.03 0.45 0.00 0.00 0.00 0.00 0.00 179.25 179.72 2sqc n ALA 324 N -2.48 1.76 0.00 0.00 0.00 0.30 -4.27 120.51 115.82 2sqc n ALA 324 Ca -0.01 0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.48 2sqc n ALA 324 Cb 0.33 -1.38 0.00 0.00 0.00 0.00 0.00 19.45 18.41 2sqc n ALA 324 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2sqc n GLY 325 N 0.21 1.44 3.77 0.00 0.00 -0.75 -4.94 105.19 104.92 2sqc n GLY 325 Ca 0.03 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.64 2sqc n GLY 325 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2sqc s LEU 326 N 0.00 4.38 0.75 0.99 1.43 -0.53 -4.95 118.68 120.75 2sqc s LEU 326 Ca 0.00 2.83 -0.13 0.00 -1.03 0.00 0.00 54.13 55.80 2sqc s LEU 326 Cb 0.00 -3.65 0.05 0.00 0.03 0.00 0.00 46.19 42.62 2sqc s LEU 326 CO 0.00 -0.71 1.14 -2.16 0.23 0.00 0.00 176.35 174.85 2sqc s PRO 327 N -1.58 2.18 0.66 1.29 0.04 -1.26 -4.45 135.00 131.88 2sqc s PRO 327 Ca 0.53 1.48 0.41 0.00 0.04 0.00 0.00 61.00 63.46 2sqc s PRO 327 Cb -0.43 -1.87 2.26 0.00 0.04 0.00 0.00 34.50 34.51 2sqc s PRO 327 CO 0.55 -1.75 2.31 0.00 0.04 0.00 0.00 177.00 178.15 2sqc h ALA 328 N -0.65 1.13 -0.16 8.56 0.00 -1.93 -1.54 119.26 124.67 2sqc h ALA 328 Ca -0.46 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.43 2sqc h ALA 328 Cb 1.26 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.04 2sqc h ALA 328 CO 0.50 -0.04 -0.05 -0.40 0.00 0.00 0.00 179.25 179.25 2sqc n ASP 329 N -3.18 2.92 -4.72 0.00 5.75 -1.26 -0.75 116.55 115.30 2sqc n ASP 329 Ca -0.03 -3.24 -0.43 0.00 -0.01 0.00 0.00 54.79 51.09 2sqc n ASP 329 Cb 0.11 -0.52 -0.02 0.00 -1.03 0.00 0.00 41.12 39.67 2sqc n ASP 329 CO 0.00 0.00 0.00 1.57 -0.11 0.00 0.00 177.20 178.66 2sqc n HIS 330 N -1.00 2.55 -0.03 2.11 -0.00 -0.58 -4.77 115.22 113.50 2sqc n HIS 330 Ca 0.21 0.37 0.04 0.00 0.46 0.00 0.00 57.72 58.80 2sqc n HIS 330 Cb 0.80 -2.52 0.40 0.00 -0.12 0.00 0.00 29.99 28.56 2sqc n HIS 330 CO 0.00 0.00 0.00 0.38 0.46 0.00 0.00 176.34 177.18 2sqc h ASP 331 N 4.10 0.52 0.50 0.26 2.03 -1.96 0.91 116.42 122.79 2sqc h ASP 331 Ca -0.46 -0.01 -0.14 0.00 -0.73 0.00 0.00 57.03 55.68 2sqc h ASP 331 Cb 1.25 -0.13 -0.02 0.00 -0.83 0.00 0.00 39.33 39.61 2sqc h ASP 331 CO 0.74 0.37 -0.62 0.03 -1.03 0.00 0.00 179.24 178.73 2sqc h ARG 332 N 0.61 0.12 0.00 4.15 2.47 -1.99 -2.15 114.38 117.59 2sqc h ARG 332 Ca 0.17 -0.09 -0.17 0.00 -1.26 0.00 0.00 59.98 58.64 2sqc h ARG 332 Cb -0.05 0.01 -0.02 0.00 -1.65 0.00 0.00 29.97 28.26 2sqc h ARG 332 CO -0.04 0.70 -0.80 -0.07 0.56 0.00 0.00 179.97 180.33 2sqc h LEU 333 N 0.09 0.00 -0.41 3.04 3.38 -1.66 -2.30 115.31 117.45 2sqc h LEU 333 Ca -0.01 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.88 2sqc h LEU 333 Cb 1.12 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.86 2sqc h LEU 333 CO 0.09 0.80 -0.05 0.58 0.09 0.00 0.00 178.44 179.95 2sqc h VAL 334 N 0.00 1.27 -0.75 1.22 2.07 -0.75 0.14 116.25 119.45 2sqc h VAL 334 Ca -0.01 -1.11 0.01 0.00 0.82 0.00 0.00 66.70 66.41 2sqc h VAL 334 Cb 1.48 1.17 -0.04 0.00 -1.52 0.00 0.00 31.29 32.37 2sqc h VAL 334 CO 0.10 0.37 0.49 0.50 0.02 0.00 0.00 177.57 179.06 2sqc h LYS 335 N 0.57 0.99 -0.39 1.57 1.63 -1.32 -0.21 116.57 119.40 2sqc h LYS 335 Ca 0.11 -0.06 -0.03 0.00 -0.85 0.00 0.00 60.65 59.82 2sqc h LYS 335 Cb 0.55 -0.22 -0.02 0.00 -0.60 0.00 0.00 32.23 31.94 2sqc h LYS 335 CO 0.03 0.66 0.14 0.00 -3.45 0.00 0.00 179.45 176.83 2sqc h ALA 336 N 1.27 0.51 -0.56 5.00 0.00 -1.26 -1.39 119.26 122.83 2sqc h ALA 336 Ca 0.27 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 2sqc h ALA 336 Cb -0.11 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.50 2sqc h ALA 336 CO -0.06 0.14 0.31 0.78 0.00 0.00 0.00 179.25 180.42 2sqc h GLY 337 N 0.49 0.83 1.26 0.00 0.00 -0.66 0.73 103.07 105.73 2sqc h GLY 337 Ca 0.13 -0.37 -0.09 0.00 0.00 0.00 0.00 47.33 46.99 2sqc h GLY 337 CO -0.01 0.36 -0.06 0.83 0.00 0.00 0.00 176.54 177.66 2sqc h GLU 338 N 0.75 0.88 -0.36 4.80 5.08 -0.90 -1.40 114.58 123.43 2sqc h GLU 338 Ca 0.20 -0.28 -0.03 0.00 -1.00 0.00 0.00 59.36 58.25 2sqc h GLU 338 Cb 0.04 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.19 2sqc h GLU 338 CO -0.03 0.91 0.12 2.35 -1.00 0.00 0.00 179.01 181.36 2sqc h TRP 339 N 0.80 0.57 -1.00 4.33 7.01 -0.89 -2.83 115.95 123.94 2sqc h TRP 339 Ca 0.14 -0.05 0.02 0.00 2.11 0.00 0.00 58.89 61.11 2sqc h TRP 339 Cb 0.56 -0.17 -0.05 0.00 -2.10 0.00 0.00 29.16 27.40 2sqc h TRP 339 CO 0.03 0.55 0.66 -0.07 -2.79 0.00 0.00 178.44 176.82 2sqc h LEU 340 N 0.43 1.14 -0.90 0.65 3.38 -0.54 -2.44 115.31 117.03 2sqc h LEU 340 Ca 0.12 -0.02 0.03 0.00 0.09 0.00 0.00 57.88 58.10 2sqc h LEU 340 Cb 0.23 -0.28 -0.05 0.00 0.09 0.00 0.00 40.66 40.66 2sqc h LEU 340 CO -0.01 0.81 0.58 -0.07 0.09 0.00 0.00 178.44 179.85 2sqc h LEU 341 N 1.33 0.98 -1.30 1.67 3.38 -1.03 -0.06 115.31 120.28 2sqc h LEU 341 Ca 0.38 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.34 2sqc h LEU 341 Cb -0.11 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.42 2sqc h LEU 341 CO -0.10 0.68 0.00 0.44 0.09 0.00 0.00 178.44 179.55 2sqc h ASP 342 N 1.14 0.00 0.66 -0.43 3.32 -1.24 -2.80 116.42 117.07 2sqc h ASP 342 Ca 0.35 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.40 2sqc h ASP 342 Cb -0.02 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.53 2sqc h ASP 342 CO -0.11 0.00 -0.31 0.54 -1.72 0.00 0.00 179.24 177.64 2sqc n ARG 343 N -2.49 0.04 -1.81 3.56 5.12 -0.04 -4.95 116.66 116.11 2sqc n ARG 343 Ca 0.00 -0.02 -0.41 0.00 -1.93 0.00 0.00 57.85 55.49 2sqc n ARG 343 Cb 0.17 -1.50 -0.00 0.00 -1.16 0.00 0.00 32.46 29.97 2sqc n ARG 343 CO 0.00 0.00 0.00 -1.14 -1.93 0.00 0.00 177.63 174.56 2sqc s GLN 344 N -2.97 4.11 -0.20 5.56 0.74 -1.06 -4.69 119.66 121.15 2sqc s GLN 344 Ca 0.13 2.57 -0.11 0.00 0.05 0.00 0.00 55.36 58.00 2sqc s GLN 344 Cb 0.18 -2.97 -0.05 0.00 1.10 0.00 0.00 33.01 31.27 2sqc s GLN 344 CO 0.63 -0.54 0.16 0.42 -0.55 0.00 0.00 175.29 175.42 2sqc s ILE 345 N -1.02 5.38 -0.36 -2.34 1.01 0.38 -4.98 121.20 119.27 2sqc s ILE 345 Ca 0.54 0.24 0.14 0.00 0.00 0.00 0.00 60.65 61.57 2sqc s ILE 345 Cb -0.47 -3.50 0.40 0.00 0.01 0.00 0.00 42.46 38.90 2sqc s ILE 345 CO 0.62 0.41 1.31 0.35 0.00 0.00 0.00 174.94 177.62 2sqc n THR 346 N 3.73 1.79 -4.40 2.92 -2.24 -1.26 -3.15 114.28 111.67 2sqc n THR 346 Ca -0.15 -1.63 -0.26 0.00 -2.27 0.00 0.00 64.05 59.74 2sqc n THR 346 Cb 0.52 0.01 -0.10 0.00 -2.10 0.00 0.00 70.33 68.65 2sqc n THR 346 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 2sqc s VAL 347 N -2.21 2.64 0.35 2.28 -7.23 -1.26 -4.76 120.40 110.21 2sqc s VAL 347 Ca 0.32 -2.05 -0.27 0.00 -1.81 0.00 0.00 61.98 58.17 2sqc s VAL 347 Cb 0.25 -2.32 -0.09 0.00 0.56 0.00 0.00 36.38 34.78 2sqc s VAL 347 CO 0.09 -0.21 1.17 -2.16 -0.31 0.00 0.00 175.10 173.68 2sqc s PRO 348 N -3.01 4.32 0.00 4.82 0.04 -1.26 -4.81 135.00 135.09 2sqc s PRO 348 Ca 0.25 1.88 0.00 0.00 0.04 0.00 0.00 61.00 63.17 2sqc s PRO 348 Cb -0.07 -2.92 0.00 0.00 0.04 0.00 0.00 34.50 31.55 2sqc s PRO 348 CO 0.13 -0.10 0.00 0.41 0.04 0.00 0.00 177.00 177.48 2sqc n GLY 349 N 0.83 4.58 0.28 0.56 0.00 -1.26 -4.83 105.19 105.35 2sqc n GLY 349 Ca 0.02 -2.12 0.14 0.00 0.00 0.00 0.00 46.02 44.06 2sqc n GLY 349 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2sqc h ASP 350 N 0.00 0.00 -0.16 1.61 3.32 -1.88 -1.09 116.42 118.22 2sqc h ASP 350 Ca 0.00 0.00 0.05 0.00 0.02 0.00 0.00 57.03 57.10 2sqc h ASP 350 Cb 0.00 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.54 2sqc h ASP 350 CO 0.00 0.04 0.19 4.11 -1.72 0.00 0.00 179.24 181.87 2sqc h TRP 351 N 0.00 0.00 0.00 4.55 5.08 -1.81 -1.75 115.95 122.02 2sqc h TRP 351 Ca -0.00 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.97 2sqc h TRP 351 Cb 0.12 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.28 2sqc h TRP 351 CO 0.00 0.00 0.00 0.00 -1.28 0.00 0.00 178.44 177.16 2sqc n ALA 352 N -2.30 1.61 -0.22 0.11 0.00 -0.41 -2.08 120.51 117.22 2sqc n ALA 352 Ca 0.01 0.03 -0.07 0.00 0.00 0.00 0.00 53.44 53.41 2sqc n ALA 352 Cb 0.31 -1.30 0.03 0.00 0.00 0.00 0.00 19.45 18.49 2sqc n ALA 352 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2sqc h VAL 353 N 0.00 1.21 0.00 0.00 2.07 -1.51 -0.63 116.25 117.39 2sqc h VAL 353 Ca 0.00 -0.58 -0.10 0.00 0.82 0.00 0.00 66.70 66.84 2sqc h VAL 353 Cb 0.29 0.48 -0.02 0.00 -1.52 0.00 0.00 31.29 30.51 2sqc h VAL 353 CO 0.00 0.24 -0.88 0.11 0.02 0.00 0.00 177.57 177.06 2sqc h LYS 354 N 0.83 0.00 -2.08 1.57 1.79 -1.63 -3.40 116.57 113.65 2sqc h LYS 354 Ca 0.21 0.00 -0.57 0.00 -2.18 0.00 0.00 60.65 58.11 2sqc h LYS 354 Cb 0.10 0.00 -0.40 0.00 -1.58 0.00 0.00 32.23 30.35 2sqc h LYS 354 CO -0.03 0.30 -0.92 0.54 -1.08 0.00 0.00 179.45 178.26 2sqc n ARG 355 N -3.00 1.47 0.22 3.15 5.12 -1.01 -4.97 116.66 117.64 2sqc n ARG 355 Ca -0.03 -3.80 0.16 0.00 -1.93 0.00 0.00 57.85 52.25 2sqc n ARG 355 Cb 0.73 -1.65 0.68 0.00 -1.16 0.00 0.00 32.46 31.06 2sqc n ARG 355 CO 0.00 0.00 0.00 -1.00 -1.93 0.00 0.00 177.63 174.70 2sqc h PRO 356 N 3.92 0.00 -0.11 5.56 0.13 -1.35 -2.75 132.00 137.39 2sqc h PRO 356 Ca 0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 2sqc h PRO 356 Cb 0.79 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.92 2sqc h PRO 356 CO 0.61 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.47 2sqc n ASN 357 N -2.71 2.47 -4.70 1.44 5.03 -1.26 -4.97 115.26 110.56 2sqc n ASN 357 Ca 0.00 -1.71 -0.42 0.00 0.87 0.00 0.00 54.58 53.32 2sqc n ASN 357 Cb 0.22 -0.06 -0.03 0.00 -1.02 0.00 0.00 39.78 38.89 2sqc n ASN 357 CO 0.00 0.00 0.00 -0.22 -1.83 0.00 0.00 177.26 175.21 2sqc s LEU 358 N -1.22 4.29 0.17 3.41 2.96 -1.04 -5.00 118.68 122.26 2sqc s LEU 358 Ca 0.21 1.57 -0.30 0.00 -0.22 0.00 0.00 54.13 55.38 2sqc s LEU 358 Cb 0.14 -3.55 -0.09 0.00 0.50 0.00 0.00 46.19 43.19 2sqc s LEU 358 CO 0.20 -0.37 1.34 -0.75 -1.32 0.00 0.00 176.35 175.45 2sqc s LYS 359 N 1.60 4.36 0.46 1.98 2.20 -1.26 -4.97 119.74 124.12 2sqc s LYS 359 Ca 0.49 2.07 -0.25 0.00 -0.36 0.00 0.00 55.97 57.93 2sqc s LYS 359 Cb -0.19 -3.21 -0.08 0.00 -1.51 0.00 0.00 37.83 32.84 2sqc s LYS 359 CO 0.22 -0.32 1.38 -2.14 -0.36 0.00 0.00 175.35 174.13 2sqc s PRO 360 N 0.26 3.62 0.00 4.03 0.02 -1.26 -4.60 135.00 137.07 2sqc s PRO 360 Ca 0.59 2.31 0.00 0.00 0.02 0.00 0.00 61.00 63.92 2sqc s PRO 360 Cb -0.37 -2.58 0.00 0.00 0.02 0.00 0.00 34.50 31.58 2sqc s PRO 360 CO 0.36 -0.83 0.17 0.41 -0.33 0.00 0.00 177.00 176.78 2sqc n GLY 361 N 0.62 0.59 3.98 0.52 0.00 -1.19 -4.76 105.19 104.95 2sqc n GLY 361 Ca 0.06 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.83 2sqc n GLY 361 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2sqc s GLY 362 N 0.00 1.76 0.03 -0.02 0.00 -1.25 -3.62 107.32 104.23 2sqc s GLY 362 Ca 0.00 -1.58 0.06 0.00 0.00 0.00 0.00 44.72 43.20 2sqc s GLY 362 CO 0.00 -1.00 -0.17 -1.36 0.00 0.00 0.00 173.10 170.58 2sqc s PHE 363 N -3.26 1.48 0.62 1.90 0.40 -1.26 -0.47 117.98 117.39 2sqc s PHE 363 Ca 0.67 -0.34 0.04 0.00 -0.60 0.00 0.00 56.93 56.69 2sqc s PHE 363 Cb -0.06 -0.89 0.09 0.00 0.51 0.00 0.00 43.02 42.67 2sqc s PHE 363 CO 0.46 0.04 0.85 0.00 0.70 0.00 0.00 175.22 177.27 2sqc s ALA 364 N -0.73 4.14 -0.02 5.36 0.00 -1.26 -1.46 121.76 127.79 2sqc s ALA 364 Ca 0.05 -1.80 -0.10 0.00 0.00 0.00 0.00 51.96 50.11 2sqc s ALA 364 Cb -0.08 -1.80 -0.31 0.00 0.00 0.00 0.00 23.12 20.93 2sqc s ALA 364 CO 0.01 -1.04 0.78 0.35 0.00 0.00 0.00 175.76 175.86 2sqc h PHE 365 N -0.09 0.72 -3.13 0.00 3.57 -1.88 -3.43 116.94 112.70 2sqc h PHE 365 Ca -0.35 -0.52 -0.02 0.00 3.53 0.00 0.00 57.97 60.60 2sqc h PHE 365 Cb 1.28 -0.03 0.01 0.00 2.79 0.00 0.00 35.95 40.00 2sqc h PHE 365 CO 0.15 1.59 0.01 1.04 -2.23 0.00 0.00 178.31 178.87 2sqc n GLN 366 N -3.59 0.46 0.05 1.11 3.00 -1.23 -1.75 117.38 115.43 2sqc n GLN 366 Ca -0.21 -0.14 -0.21 0.00 -0.01 0.00 0.00 57.00 56.43 2sqc n GLN 366 Cb 1.08 -0.04 -0.11 0.00 0.00 0.00 0.00 30.24 31.16 2sqc n GLN 366 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.06 177.80 2sqc h PHE 367 N -0.51 1.02 -2.27 1.08 0.04 -1.92 -3.41 116.94 110.96 2sqc h PHE 367 Ca -0.02 -0.58 -0.33 0.00 2.80 0.00 0.00 57.97 59.84 2sqc h PHE 367 Cb 0.07 -0.11 -0.34 0.00 2.20 0.00 0.00 35.95 37.77 2sqc h PHE 367 CO 0.00 1.42 -0.63 0.34 -0.60 0.00 0.00 178.31 178.83 2sqc s ASP 368 N -7.30 1.64 -0.46 2.17 2.15 -1.26 -5.00 116.67 108.61 2sqc s ASP 368 Ca -0.10 -0.60 0.06 0.00 0.43 0.00 0.00 52.55 52.34 2sqc s ASP 368 Cb 0.06 0.46 0.30 0.00 -0.30 0.00 0.00 42.92 43.44 2sqc s ASP 368 CO 0.92 -0.37 1.04 -3.20 -0.17 0.00 0.00 175.17 173.39 2sqc n ASN 369 N 5.31 -2.36 0.25 -0.34 5.15 -1.26 -3.23 115.26 118.78 2sqc n ASN 369 Ca -0.03 -3.58 0.08 0.00 -0.60 0.00 0.00 54.58 50.45 2sqc n ASN 369 Cb 0.47 1.81 0.62 0.00 -0.53 0.00 0.00 39.78 42.15 2sqc n ASN 369 CO 0.00 0.00 0.00 -0.37 1.40 0.00 0.00 177.26 178.29 2sqc h VAL 370 N 2.93 0.96 -0.00 3.44 -1.51 -1.95 -2.65 116.25 117.47 2sqc h VAL 370 Ca -0.10 -0.31 0.00 0.00 -1.23 0.00 0.00 66.70 65.06 2sqc h VAL 370 Cb 1.08 1.17 0.00 0.00 -2.13 0.00 0.00 31.29 31.41 2sqc h VAL 370 CO 0.19 0.09 -0.08 -1.22 -1.23 0.00 0.00 177.57 175.33 2sqc n TYR 371 N -4.29 0.00 -2.80 5.19 4.01 -1.26 -4.31 117.16 113.71 2sqc n TYR 371 Ca -0.03 0.00 -0.19 0.00 -0.16 0.00 0.00 57.90 57.53 2sqc n TYR 371 Cb 0.17 -0.34 -0.00 0.00 -0.31 0.00 0.00 39.34 38.85 2sqc n TYR 371 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 2sqc n TYR 372 N -1.32 1.97 -1.01 -0.72 4.01 -1.00 -2.64 117.16 116.44 2sqc n TYR 372 Ca 0.11 -3.33 -0.33 0.00 -0.16 0.00 0.00 57.90 54.19 2sqc n TYR 372 Cb 0.30 -0.34 0.14 0.00 -0.31 0.00 0.00 39.34 39.12 2sqc n TYR 372 CO 0.00 0.00 0.00 -1.25 -0.46 0.00 0.00 176.86 175.15 2sqc s PRO 373 N -3.11 1.48 0.11 -0.72 0.04 -1.26 -4.69 135.00 126.85 2sqc s PRO 373 Ca 0.39 1.70 0.05 0.00 0.04 0.00 0.00 61.00 63.17 2sqc s PRO 373 Cb 0.39 -1.76 -0.04 0.00 0.04 0.00 0.00 34.50 33.13 2sqc s PRO 373 CO -0.08 -2.32 -0.12 0.16 0.04 0.00 0.00 177.00 174.69 2sqc s ASP 374 N -2.31 1.70 0.18 6.66 1.47 -0.54 -4.72 116.67 119.12 2sqc s ASP 374 Ca 0.71 -0.80 -0.09 0.00 1.18 0.00 0.00 52.55 53.55 2sqc s ASP 374 Cb -0.27 -0.03 0.08 0.00 -0.34 0.00 0.00 42.92 42.37 2sqc s ASP 374 CO 0.52 -0.20 1.68 0.58 0.68 0.00 0.00 175.17 178.43 2sqc h VAL 375 N 3.59 1.26 -0.15 2.11 2.07 -0.76 -1.72 116.25 122.65 2sqc h VAL 375 Ca -0.39 -1.04 -0.00 0.00 0.82 0.00 0.00 66.70 66.09 2sqc h VAL 375 Cb 1.19 0.68 -0.01 0.00 -1.52 0.00 0.00 31.29 31.64 2sqc h VAL 375 CO 0.51 0.39 0.08 0.00 0.02 0.00 0.00 177.57 178.56 2sqc h ASP 377 N 0.12 1.06 -0.34 0.00 3.32 -1.81 0.21 116.42 118.98 2sqc h ASP 377 Ca 0.05 -0.19 -0.01 0.00 0.02 0.00 0.00 57.03 56.90 2sqc h ASP 377 Cb 0.10 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.36 2sqc h ASP 377 CO -0.01 0.97 0.17 0.74 -1.72 0.00 0.00 179.24 179.39 2sqc h THR 378 N 1.08 1.16 -0.16 0.35 2.02 -1.15 0.56 112.91 116.77 2sqc h THR 378 Ca 0.24 -0.44 0.01 0.00 0.77 0.00 0.00 66.41 67.00 2sqc h THR 378 Cb 0.27 0.83 -0.02 0.00 -1.74 0.00 0.00 68.15 67.49 2sqc h THR 378 CO -0.01 0.16 0.06 0.00 0.37 0.00 0.00 175.52 176.10 2sqc h ALA 379 N 1.02 0.18 -0.40 6.16 0.00 -0.72 -0.48 119.26 125.03 2sqc h ALA 379 Ca 0.12 0.01 -0.13 0.00 0.00 0.00 0.00 54.91 54.91 2sqc h ALA 379 Cb 0.11 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 2sqc h ALA 379 CO -0.02 -0.37 -0.26 0.28 0.00 0.00 0.00 179.25 178.88 2sqc h VAL 380 N 0.15 1.27 -0.16 0.00 2.07 -0.80 -1.50 116.25 117.28 2sqc h VAL 380 Ca 0.07 -1.40 -0.07 0.00 0.82 0.00 0.00 66.70 66.12 2sqc h VAL 380 Cb 0.03 1.24 -0.00 0.00 -1.52 0.00 0.00 31.29 31.04 2sqc h VAL 380 CO -0.06 0.47 -0.17 0.58 0.02 0.00 0.00 177.57 178.41 2sqc h VAL 381 N 0.71 1.34 -0.85 2.57 2.07 -0.74 0.32 116.25 121.67 2sqc h VAL 381 Ca 0.09 -1.34 0.05 0.00 0.82 0.00 0.00 66.70 66.32 2sqc h VAL 381 Cb 0.80 1.85 -0.06 0.00 -1.52 0.00 0.00 31.29 32.37 2sqc h VAL 381 CO 0.07 0.40 0.54 0.58 0.02 0.00 0.00 177.57 179.17 2sqc h VAL 382 N 0.04 1.09 -0.14 2.57 2.07 -1.07 0.61 116.25 121.42 2sqc h VAL 382 Ca 0.02 -0.35 -0.01 0.00 0.82 0.00 0.00 66.70 67.18 2sqc h VAL 382 Cb 0.71 -0.02 -0.01 0.00 -1.52 0.00 0.00 31.29 30.46 2sqc h VAL 382 CO 0.04 0.18 0.04 -0.25 0.02 0.00 0.00 177.57 177.61 2sqc h TRP 383 N 1.01 0.22 -0.58 1.57 7.01 -1.20 -1.72 115.95 122.25 2sqc h TRP 383 Ca 0.36 -0.02 0.04 0.00 2.11 0.00 0.00 58.89 61.37 2sqc h TRP 383 Cb 0.09 -0.06 -0.04 0.00 -2.10 0.00 0.00 29.16 27.05 2sqc h TRP 383 CO -0.03 0.35 0.34 0.00 -2.79 0.00 0.00 178.44 176.31 2sqc h ALA 384 N 0.85 0.76 -0.63 2.65 0.00 -0.48 -1.60 119.26 120.81 2sqc h ALA 384 Ca 0.04 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.95 2sqc h ALA 384 Cb 0.24 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 2sqc h ALA 384 CO -0.00 0.05 0.41 -0.07 0.00 0.00 0.00 179.25 179.64 2sqc h LEU 385 N 0.66 0.73 -0.73 0.00 3.38 -0.74 -0.34 115.31 118.28 2sqc h LEU 385 Ca 0.24 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.19 2sqc h LEU 385 Cb 0.07 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.64 2sqc h LEU 385 CO -0.12 0.54 0.00 -3.20 0.09 0.00 0.00 178.44 175.75 2sqc n ASN 386 N -4.43 0.50 -0.79 -0.43 5.15 -0.62 -1.62 115.26 113.02 2sqc n ASN 386 Ca 0.06 0.65 0.12 0.00 -0.60 0.00 0.00 54.58 54.82 2sqc n ASN 386 Cb 0.05 -0.75 0.15 0.00 -0.53 0.00 0.00 39.78 38.70 2sqc n ASN 386 CO 0.00 0.00 0.00 0.35 1.40 0.00 0.00 177.26 179.01 2sqc n THR 387 N -2.09 0.00 -4.11 -0.44 -2.24 -0.14 -5.00 114.28 100.27 2sqc n THR 387 Ca 0.01 -0.41 -0.23 0.00 -2.27 0.00 0.00 64.05 61.16 2sqc n THR 387 Cb 0.16 1.28 -0.06 0.00 -2.10 0.00 0.00 70.33 69.61 2sqc n THR 387 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 2sqc s LEU 388 N -2.10 3.34 -0.19 3.22 1.43 -0.64 -4.46 118.68 119.28 2sqc s LEU 388 Ca 0.28 -0.67 0.01 0.00 -1.03 0.00 0.00 54.13 52.72 2sqc s LEU 388 Cb 0.20 -1.85 0.04 0.00 0.03 0.00 0.00 46.19 44.61 2sqc s LEU 388 CO 0.36 -0.22 -0.10 -0.13 0.23 0.00 0.00 176.35 176.49 2sqc s ARG 389 N -3.83 2.02 0.31 1.70 0.52 0.07 -4.98 118.95 114.75 2sqc s ARG 389 Ca 0.36 -0.78 0.09 0.00 -0.52 0.00 0.00 55.73 54.88 2sqc s ARG 389 Cb -0.04 -2.35 -0.05 0.00 0.52 0.00 0.00 34.95 33.03 2sqc s ARG 389 CO 0.23 -0.40 0.01 -0.51 0.02 0.00 0.00 175.30 174.65 2sqc s LEU 390 N 1.42 3.09 0.26 2.53 1.43 -1.26 -4.33 118.68 121.82 2sqc s LEU 390 Ca -0.00 -0.82 -0.02 0.00 -1.03 0.00 0.00 54.13 52.26 2sqc s LEU 390 Cb -0.16 -1.55 0.47 0.00 0.03 0.00 0.00 46.19 44.98 2sqc s LEU 390 CO -0.08 -0.14 1.81 -0.65 0.23 0.00 0.00 176.35 177.52 2sqc h PRO 391 N 1.82 0.80 -3.52 1.29 0.11 -2.00 -3.17 132.00 127.33 2sqc h PRO 391 Ca -0.43 -0.05 -0.77 0.00 0.11 0.00 0.00 66.00 64.86 2sqc h PRO 391 Cb 1.25 -0.18 -0.30 0.00 0.11 0.00 0.00 31.00 31.88 2sqc h PRO 391 CO 0.63 0.53 0.24 0.34 -0.21 0.00 0.00 178.00 179.54 2sqc s ASP 392 N -5.60 6.84 0.31 -2.05 -1.08 -1.26 -4.89 116.67 108.94 2sqc s ASP 392 Ca -0.12 -3.53 -0.00 0.00 -0.52 0.00 0.00 52.55 48.37 2sqc s ASP 392 Cb 0.21 -2.11 0.49 0.00 -1.46 0.00 0.00 42.92 40.04 2sqc s ASP 392 CO 0.79 -0.28 1.93 -0.33 0.52 0.00 0.00 175.17 177.80 2sqc h GLU 393 N 6.59 0.92 -0.49 4.34 4.39 -1.99 -1.88 114.58 126.46 2sqc h GLU 393 Ca 0.16 -0.10 -0.08 0.00 0.34 0.00 0.00 59.36 59.69 2sqc h GLU 393 Cb 0.87 -0.19 -0.02 0.00 -0.10 0.00 0.00 28.75 29.32 2sqc h GLU 393 CO 0.94 0.68 -0.01 -0.09 -1.16 0.00 0.00 179.01 179.36 2sqc h ARG 394 N 0.93 0.83 -0.42 2.33 2.43 -1.92 -0.79 114.38 117.77 2sqc h ARG 394 Ca 0.24 -0.24 -0.12 0.00 -0.81 0.00 0.00 59.98 59.05 2sqc h ARG 394 Cb 0.02 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 29.46 2sqc h ARG 394 CO -0.04 0.84 -0.22 -0.09 -1.51 0.00 0.00 179.97 178.96 2sqc h ARG 395 N 0.77 0.85 -0.36 0.20 2.43 -1.81 -0.58 114.38 115.89 2sqc h ARG 395 Ca 0.15 -0.35 -0.02 0.00 -0.81 0.00 0.00 59.98 58.95 2sqc h ARG 395 Cb 0.48 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.98 2sqc h ARG 395 CO 0.02 0.98 0.17 -0.09 -1.51 0.00 0.00 179.97 179.54 2sqc h ARG 396 N 0.74 0.53 -0.57 0.20 2.43 -0.78 -0.23 114.38 116.70 2sqc h ARG 396 Ca 0.10 -0.08 -0.08 0.00 -0.81 0.00 0.00 59.98 59.11 2sqc h ARG 396 Cb 0.75 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 30.19 2sqc h ARG 396 CO 0.06 0.48 0.05 0.00 -1.51 0.00 0.00 179.97 179.05 2sqc h ARG 397 N 0.44 0.97 -0.51 0.20 3.08 -0.96 -0.88 114.38 116.72 2sqc h ARG 397 Ca 0.12 -0.28 -0.12 0.00 0.07 0.00 0.00 59.98 59.76 2sqc h ARG 397 Cb 0.14 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.07 2sqc h ARG 397 CO -0.01 0.95 -0.17 -0.44 -1.07 0.00 0.00 179.97 179.23 2sqc h ASP 398 N 0.86 1.03 -0.21 7.04 3.32 -0.89 -0.41 116.42 127.17 2sqc h ASP 398 Ca 0.17 -0.37 -0.01 0.00 0.02 0.00 0.00 57.03 56.84 2sqc h ASP 398 Cb 0.48 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.73 2sqc h ASP 398 CO 0.02 1.17 0.11 0.00 -1.72 0.00 0.00 179.24 178.82 2sqc h ALA 399 N 0.89 0.27 -0.71 3.45 0.00 -0.83 -1.46 119.26 120.87 2sqc h ALA 399 Ca 0.12 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 2sqc h ALA 399 Cb 0.74 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.42 2sqc h ALA 399 CO 0.06 -0.18 0.38 0.52 0.00 0.00 0.00 179.25 180.03 2sqc h MET 400 N 0.22 1.00 -0.30 0.00 2.86 -0.98 0.19 114.93 117.92 2sqc h MET 400 Ca 0.07 -0.13 -0.01 0.00 -2.06 0.00 0.00 59.70 57.58 2sqc h MET 400 Cb 0.10 -0.19 -0.01 0.00 0.06 0.00 0.00 31.60 31.55 2sqc h MET 400 CO -0.01 0.76 0.16 1.15 1.06 0.00 0.00 176.91 180.03 2sqc h THR 401 N 0.98 1.13 -0.47 2.22 2.02 -0.92 0.83 112.91 118.70 2sqc h THR 401 Ca 0.25 -0.36 -0.02 0.00 0.77 0.00 0.00 66.41 67.05 2sqc h THR 401 Cb 0.06 0.82 -0.02 0.00 -1.74 0.00 0.00 68.15 67.27 2sqc h THR 401 CO -0.04 0.13 0.20 0.11 0.37 0.00 0.00 175.52 176.29 2sqc h LYS 402 N 0.36 0.70 -0.32 6.66 1.57 -1.04 -0.44 116.57 124.06 2sqc h LYS 402 Ca 0.11 -0.12 -0.04 0.00 -1.87 0.00 0.00 60.65 58.73 2sqc h LYS 402 Cb 0.07 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.25 2sqc h LYS 402 CO -0.02 0.62 0.06 0.78 -0.57 0.00 0.00 179.45 180.33 2sqc h GLY 403 N 0.62 0.56 1.01 3.86 0.00 -0.74 -1.64 103.07 106.74 2sqc h GLY 403 Ca 0.16 -0.37 0.01 0.00 0.00 0.00 0.00 47.33 47.13 2sqc h GLY 403 CO -0.01 0.34 0.40 -2.75 0.00 0.00 0.00 176.54 174.52 2sqc h PHE 404 N 0.35 0.76 -0.18 5.60 3.04 -0.74 -0.82 116.94 124.95 2sqc h PHE 404 Ca 0.10 0.02 -0.11 0.00 3.98 0.00 0.00 57.97 61.95 2sqc h PHE 404 Cb 0.33 -0.26 -0.01 0.00 2.56 0.00 0.00 35.95 38.57 2sqc h PHE 404 CO 0.02 0.48 -0.37 0.00 -2.02 0.00 0.00 178.31 176.43 2sqc h ARG 405 N 0.82 0.40 -0.26 1.11 3.08 -1.04 -0.39 114.38 118.09 2sqc h ARG 405 Ca 0.22 -0.18 -0.04 0.00 0.07 0.00 0.00 59.98 60.05 2sqc h ARG 405 Cb -0.09 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 29.94 2sqc h ARG 405 CO -0.05 0.71 -0.01 2.35 -1.07 0.00 0.00 179.97 181.90 2sqc h TRP 406 N 0.34 0.51 -0.28 3.04 7.01 -0.56 -1.63 115.95 124.37 2sqc h TRP 406 Ca 0.04 -0.09 0.04 0.00 2.11 0.00 0.00 58.89 60.99 2sqc h TRP 406 Cb 0.80 -0.13 -0.04 0.00 -2.10 0.00 0.00 29.16 27.69 2sqc h TRP 406 CO 0.02 0.63 0.05 0.82 -2.79 0.00 0.00 178.44 177.17 2sqc h ILE 407 N 0.24 0.85 -0.48 2.65 2.04 -0.85 -1.99 117.51 119.98 2sqc h ILE 407 Ca 0.07 -0.05 0.09 0.00 1.00 0.00 0.00 64.86 65.97 2sqc h ILE 407 Cb 0.43 0.69 -0.08 0.00 -0.74 0.00 0.00 36.82 37.13 2sqc h ILE 407 CO 0.02 0.03 0.01 0.58 0.00 0.00 0.00 178.15 178.78 2sqc h VAL 408 N 0.15 0.63 0.00 1.67 2.07 -0.89 -1.20 116.25 118.68 2sqc h VAL 408 Ca 0.13 -0.04 -0.01 0.00 0.82 0.00 0.00 66.70 67.60 2sqc h VAL 408 Cb 0.14 0.50 -0.00 0.00 -1.52 0.00 0.00 31.29 30.41 2sqc h VAL 408 CO -0.18 0.02 -0.03 1.23 0.02 0.00 0.00 177.57 178.63 2sqc h GLY 409 N 0.12 0.00 -0.95 2.17 0.00 -0.70 -2.61 103.07 101.10 2sqc h GLY 409 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.57 2sqc h GLY 409 CO -0.40 0.00 0.00 1.03 0.00 0.00 0.00 176.54 177.17 2sqc n MET 410 N -3.20 1.77 -1.96 4.80 2.00 -0.46 -4.94 117.12 115.13 2sqc n MET 410 Ca -0.01 -1.17 -0.41 0.00 0.00 0.00 0.00 57.70 56.11 2sqc n MET 410 Cb 0.21 -1.38 -0.02 0.00 0.00 0.00 0.00 33.22 32.03 2sqc n MET 410 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 175.97 174.83 2sqc s GLN 411 N -1.73 4.23 0.64 0.03 0.74 -0.99 -4.54 119.66 118.04 2sqc s GLN 411 Ca 0.31 2.37 -0.07 0.00 0.05 0.00 0.00 55.36 58.02 2sqc s GLN 411 Cb 0.17 -3.07 0.02 0.00 1.10 0.00 0.00 33.01 31.22 2sqc s GLN 411 CO 0.25 -0.44 0.97 -1.12 -0.55 0.00 0.00 175.29 174.39 2sqc s SER 412 N 0.23 5.45 0.48 6.67 0.01 0.41 -4.87 113.70 122.08 2sqc s SER 412 Ca 0.58 0.79 0.18 0.00 1.31 0.00 0.00 55.95 58.82 2sqc s SER 412 Cb -0.43 -1.69 1.20 0.00 0.21 0.00 0.00 66.02 65.31 2sqc s SER 412 CO 0.47 -1.21 2.01 0.28 0.41 0.00 0.00 173.24 175.21 2sqc h SER 413 N -0.36 0.17 -0.02 2.44 0.02 -1.95 -1.68 113.55 112.17 2sqc h SER 413 Ca -0.45 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.50 2sqc h SER 413 Cb 1.26 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 63.77 2sqc h SER 413 CO 0.62 0.10 0.00 -0.46 -1.14 0.00 0.00 176.83 175.95 2sqc n ASN 414 N -4.45 0.31 0.00 3.07 0.23 -1.26 -4.87 115.26 108.29 2sqc n ASN 414 Ca 0.08 -1.39 0.00 0.00 -0.53 0.00 0.00 54.58 52.74 2sqc n ASN 414 Cb 0.42 -0.02 0.00 0.00 -2.08 0.00 0.00 39.78 38.11 2sqc n ASN 414 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2sqc n GLY 415 N 0.89 0.70 3.70 4.83 0.00 -0.63 -4.48 105.19 110.21 2sqc n GLY 415 Ca 0.16 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.99 2sqc n GLY 415 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2sqc n GLY 416 N -2.00 2.04 3.26 -0.02 0.00 -1.26 -3.50 105.19 103.72 2sqc n GLY 416 Ca 0.00 -2.23 -0.29 0.00 0.00 0.00 0.00 46.02 43.50 2sqc n GLY 416 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2sqc s TRP 417 N -2.43 2.05 0.81 1.61 0.51 -1.26 -0.45 118.94 119.78 2sqc s TRP 417 Ca 0.55 -0.39 -0.04 0.00 -2.12 0.00 0.00 56.10 54.09 2sqc s TRP 417 Cb -0.04 -1.32 0.17 0.00 -0.81 0.00 0.00 33.47 31.46 2sqc s TRP 417 CO 0.35 -0.04 1.11 0.20 -0.51 0.00 0.00 176.95 178.06 2sqc s GLY 418 N -0.53 1.76 0.04 0.98 0.00 -1.26 -1.65 107.32 106.66 2sqc s GLY 418 Ca 0.09 -1.73 -0.15 0.00 0.00 0.00 0.00 44.72 42.93 2sqc s GLY 418 CO -0.01 -1.05 1.02 0.00 0.00 0.00 0.00 173.10 173.06 2sqc h ALA 419 N -0.89 -0.14 0.00 3.20 0.00 -1.83 -3.42 119.26 116.18 2sqc h ALA 419 Ca -0.37 -0.86 0.00 0.00 0.00 0.00 0.00 54.91 53.68 2sqc h ALA 419 Cb 1.25 0.16 0.00 0.00 0.00 0.00 0.00 17.79 19.20 2sqc h ALA 419 CO 0.36 0.72 -0.95 0.66 0.00 0.00 0.00 179.25 180.04 2sqc n TYR 420 N -3.71 0.00 -4.28 0.00 4.02 -1.26 -0.11 117.16 111.83 2sqc n TYR 420 Ca -0.16 0.00 -0.15 0.00 -0.01 0.00 0.00 57.90 57.58 2sqc n TYR 420 Cb 1.10 0.00 -0.10 0.00 -0.02 0.00 0.00 39.34 40.32 2sqc n TYR 420 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 2sqc s ASP 421 N -2.37 1.48 -0.09 7.72 1.01 -1.26 -4.59 116.67 118.56 2sqc s ASP 421 Ca 0.00 -1.18 -0.16 0.00 0.71 0.00 0.00 52.55 51.92 2sqc s ASP 421 Cb 0.00 0.07 -0.05 0.00 1.01 0.00 0.00 42.92 43.95 2sqc s ASP 421 CO 0.00 -0.54 0.41 -0.69 0.21 0.00 0.00 175.17 174.57 2sqc s VAL 422 N -3.55 5.16 -1.46 -1.27 1.01 -1.26 -4.22 120.40 114.81 2sqc s VAL 422 Ca 0.25 0.82 -0.02 0.00 0.00 0.00 0.00 61.98 63.03 2sqc s VAL 422 Cb 0.06 -3.74 0.02 0.00 0.00 0.00 0.00 36.38 32.72 2sqc s VAL 422 CO 0.06 0.42 0.43 0.47 0.00 0.00 0.00 175.10 176.49 2sqc n ASP 423 N 3.03 -0.62 -3.94 3.32 8.00 -1.26 -4.85 116.55 120.23 2sqc n ASP 423 Ca -0.10 -1.03 -0.43 0.00 0.71 0.00 0.00 54.79 53.94 2sqc n ASP 423 Cb 0.52 -2.91 0.01 0.00 -0.02 0.00 0.00 41.12 38.72 2sqc n ASP 423 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 2sqc n ASN 424 N -2.94 5.34 -0.01 -2.24 2.85 -1.26 -4.54 115.26 112.47 2sqc n ASN 424 Ca -0.26 -3.15 0.01 0.00 -0.11 0.00 0.00 54.58 51.06 2sqc n ASN 424 Cb 0.66 -1.45 0.01 0.00 1.24 0.00 0.00 39.78 40.24 2sqc n ASN 424 CO 0.00 0.00 0.00 0.35 -2.11 0.00 0.00 177.26 175.50 2sqc n THR 425 N 3.06 0.94 -1.68 -0.44 -2.24 -1.26 -2.00 114.28 110.66 2sqc n THR 425 Ca 0.37 -0.97 -0.43 0.00 -2.27 0.00 0.00 64.05 60.75 2sqc n THR 425 Cb 0.36 0.51 -0.01 0.00 -2.10 0.00 0.00 70.33 69.09 2sqc n THR 425 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 2sqc n SER 426 N -0.50 2.56 0.04 3.42 2.88 -1.26 -4.91 113.62 115.85 2sqc n SER 426 Ca 0.01 1.20 0.12 0.00 -1.33 0.00 0.00 58.87 58.87 2sqc n SER 426 Cb 0.31 -1.45 0.15 0.00 -0.75 0.00 0.00 64.21 62.46 2sqc n SER 426 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 2sqc n ASP 427 N 0.95 0.63 -0.08 -3.46 2.03 -1.26 -4.52 116.55 110.83 2sqc n ASP 427 Ca 0.06 -0.07 -0.10 0.00 0.52 0.00 0.00 54.79 55.20 2sqc n ASP 427 Cb 0.35 0.37 -0.03 0.00 -0.72 0.00 0.00 41.12 41.09 2sqc n ASP 427 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 2sqc h LEU 428 N 0.00 0.35 -2.05 -2.67 3.38 -1.96 -2.95 115.31 109.41 2sqc h LEU 428 Ca 0.00 -0.12 0.11 0.00 0.09 0.00 0.00 57.88 57.96 2sqc h LEU 428 Cb 0.68 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.33 2sqc h LEU 428 CO 0.00 0.37 0.37 -0.65 0.09 0.00 0.00 178.44 178.62 2sqc h PRO 429 N 0.31 0.00 0.00 1.13 0.11 -1.90 -1.36 132.00 130.28 2sqc h PRO 429 Ca 0.09 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.20 2sqc h PRO 429 Cb 0.11 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.22 2sqc h PRO 429 CO -0.01 0.00 0.00 0.09 -0.21 0.00 0.00 178.00 177.87 2sqc n ASN 430 N -3.87 0.05 -0.27 -2.05 3.02 -1.11 -3.57 115.26 107.46 2sqc n ASN 430 Ca 0.06 0.51 0.06 0.00 -0.03 0.00 0.00 54.58 55.19 2sqc n ASN 430 Cb 0.55 -0.52 -0.00 0.00 -0.61 0.00 0.00 39.78 39.19 2sqc n ASN 430 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 2sqc n HIS 431 N -1.56 0.00 -2.73 3.10 8.25 -0.51 -0.52 115.22 121.25 2sqc n HIS 431 Ca 0.04 0.00 -0.36 0.00 -0.26 0.00 0.00 57.72 57.14 2sqc n HIS 431 Cb 0.19 0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.24 2sqc n HIS 431 CO 0.00 0.00 0.00 0.96 0.64 0.00 0.00 176.34 177.94 2sqc s ILE 432 N -1.56 4.13 0.36 1.59 -4.36 -1.23 -4.48 121.20 115.63 2sqc s ILE 432 Ca 0.10 1.62 0.07 0.00 -0.26 0.00 0.00 60.65 62.18 2sqc s ILE 432 Cb 0.10 -3.83 0.31 0.00 1.25 0.00 0.00 42.46 40.28 2sqc s ILE 432 CO 0.31 0.00 1.91 1.55 0.24 0.00 0.00 174.94 178.95 2sqc h PRO 433 N 2.71 0.71 -1.00 0.37 0.13 -1.92 -1.04 132.00 131.96 2sqc h PRO 433 Ca -0.48 -0.04 0.20 0.00 -0.87 0.00 0.00 66.00 64.81 2sqc h PRO 433 Cb 1.19 -0.16 -0.11 0.00 0.13 0.00 0.00 31.00 32.06 2sqc h PRO 433 CO 0.63 0.47 0.61 0.35 -0.23 0.00 0.00 178.00 179.84 2sqc h PHE 434 N 0.73 1.01 -0.71 1.56 3.57 -1.92 -3.28 116.94 117.90 2sqc h PHE 434 Ca 0.39 0.03 -0.70 0.00 3.53 0.00 0.00 57.97 61.22 2sqc h PHE 434 Cb 0.51 -0.30 -0.07 0.00 2.79 0.00 0.00 35.95 38.88 2sqc h PHE 434 CO -0.00 0.20 2.85 0.43 -2.23 0.00 0.00 178.31 179.56 2sqc n SER 435 N -4.76 8.24 -0.82 0.41 7.64 -0.40 -4.52 113.62 119.42 2sqc n SER 435 Ca 0.24 -2.93 0.13 0.00 1.01 0.00 0.00 58.87 57.32 2sqc n SER 435 Cb 0.62 -1.43 0.24 0.00 -1.01 0.00 0.00 64.21 62.63 2sqc n SER 435 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 2sqc n ASP 436 N 2.38 2.55 -3.91 6.43 5.75 -1.24 -1.77 116.55 126.75 2sqc n ASP 436 Ca 0.68 -1.84 -0.18 0.00 -0.01 0.00 0.00 54.79 53.44 2sqc n ASP 436 Cb 0.26 -0.02 -0.15 0.00 -1.03 0.00 0.00 41.12 40.17 2sqc n ASP 436 CO 0.00 0.00 0.00 0.12 -0.11 0.00 0.00 177.20 177.21 2sqc s PHE 437 N -1.95 0.56 0.00 2.11 2.19 -1.26 -4.69 117.98 114.94 2sqc s PHE 437 Ca 0.32 -0.12 0.00 0.00 0.33 0.00 0.00 56.93 57.46 2sqc s PHE 437 Cb 0.20 -0.47 0.00 0.00 -1.31 0.00 0.00 43.02 41.45 2sqc s PHE 437 CO 0.31 -0.10 0.00 0.41 1.83 0.00 0.00 175.22 177.67 2sqc n GLY 438 N 3.58 -1.40 3.81 13.12 0.00 -1.26 -4.83 105.19 118.20 2sqc n GLY 438 Ca -0.21 -1.22 -0.35 0.00 0.00 0.00 0.00 46.02 44.25 2sqc n GLY 438 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2sqc s GLU 439 N 0.00 3.22 0.00 1.61 0.41 -1.26 -4.99 118.70 117.69 2sqc s GLU 439 Ca 0.00 -0.33 0.08 0.00 -0.41 0.00 0.00 54.97 54.31 2sqc s GLU 439 Cb 0.00 -2.98 -0.01 0.00 -1.78 0.00 0.00 34.13 29.36 2sqc s GLU 439 CO 0.00 0.71 0.55 1.55 -0.49 0.00 0.00 175.26 177.57 2sqc n VAL 440 N 1.61 0.00 -4.36 2.63 3.14 -1.26 -4.85 118.33 115.24 2sqc n VAL 440 Ca -0.16 -0.41 -0.18 0.00 -2.96 0.00 0.00 64.34 60.63 2sqc n VAL 440 Cb 0.54 1.09 -0.10 0.00 -1.06 0.00 0.00 33.84 34.30 2sqc n VAL 440 CO 0.00 0.00 0.00 0.42 -6.46 0.00 0.00 176.83 170.79 2sqc s THR 441 N -1.24 1.09 -0.56 1.55 -4.23 -1.26 0.25 115.64 111.24 2sqc s THR 441 Ca 0.06 -2.04 0.07 0.00 -1.18 0.00 0.00 61.69 58.61 2sqc s THR 441 Cb 0.07 -2.44 0.28 0.00 1.34 0.00 0.00 72.50 71.75 2sqc s THR 441 CO 0.22 -0.26 0.74 -0.67 -0.54 0.00 0.00 174.62 174.11 2sqc n ASP 442 N -0.48 2.98 -4.80 3.99 2.03 -1.18 -4.70 116.55 114.39 2sqc n ASP 442 Ca -0.04 -3.31 -0.31 0.00 0.52 0.00 0.00 54.79 51.64 2sqc n ASP 442 Cb 0.64 -0.64 0.05 0.00 -0.72 0.00 0.00 41.12 40.46 2sqc n ASP 442 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 2sqc s PRO 443 N -2.42 2.84 0.41 -0.67 0.04 -0.85 -4.21 135.00 130.14 2sqc s PRO 443 Ca 0.41 1.06 -0.24 0.00 0.04 0.00 0.00 61.00 62.27 2sqc s PRO 443 Cb 0.19 -1.97 -0.11 0.00 0.04 0.00 0.00 34.50 32.65 2sqc s PRO 443 CO -0.06 -1.19 0.89 -2.30 0.04 0.00 0.00 177.00 174.39 2sqc n PRO 444 N -3.02 1.13 -4.26 0.56 -0.02 -1.26 -4.42 135.00 123.70 2sqc n PRO 444 Ca 0.08 0.41 -0.14 0.00 -2.02 0.00 0.00 63.50 61.82 2sqc n PRO 444 Cb 0.53 -1.89 -0.10 0.00 -0.02 0.00 0.00 33.50 32.02 2sqc n PRO 444 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 2sqc s SER 445 N -0.79 1.65 0.11 2.55 1.04 -0.66 -4.84 113.70 112.76 2sqc s SER 445 Ca 0.63 -1.09 -0.18 0.00 0.48 0.00 0.00 55.95 55.80 2sqc s SER 445 Cb -0.58 0.02 -0.05 0.00 0.10 0.00 0.00 66.02 65.51 2sqc s SER 445 CO 0.57 -0.42 1.62 -0.33 0.98 0.00 0.00 173.24 175.65 2sqc h GLU 446 N 2.71 0.49 -0.49 4.02 3.07 -1.87 -2.66 114.58 119.84 2sqc h GLU 446 Ca -0.37 -0.11 -0.08 0.00 -0.50 0.00 0.00 59.36 58.30 2sqc h GLU 446 Cb 1.20 -0.07 -0.02 0.00 -0.84 0.00 0.00 28.75 29.02 2sqc h GLU 446 CO 0.64 0.54 -0.02 0.38 -1.40 0.00 0.00 179.01 179.15 2sqc h ASP 447 N 0.34 0.88 -0.31 1.42 2.03 -1.90 -0.45 116.42 118.43 2sqc h ASP 447 Ca 0.10 -0.32 -0.03 0.00 -0.73 0.00 0.00 57.03 56.05 2sqc h ASP 447 Cb 0.27 -0.24 -0.01 0.00 -0.83 0.00 0.00 39.33 38.52 2sqc h ASP 447 CO -0.00 0.98 0.07 0.58 -1.03 0.00 0.00 179.24 179.84 2sqc h VAL 448 N 0.75 1.22 -0.33 4.15 2.07 -1.83 -0.64 116.25 121.63 2sqc h VAL 448 Ca 0.14 -0.75 0.04 0.00 0.82 0.00 0.00 66.70 66.94 2sqc h VAL 448 Cb 0.55 1.12 -0.04 0.00 -1.52 0.00 0.00 31.29 31.40 2sqc h VAL 448 CO 0.03 0.25 0.10 0.74 0.02 0.00 0.00 177.57 178.71 2sqc h THR 449 N 0.34 0.89 -0.91 2.57 2.02 -1.36 -1.22 112.91 115.24 2sqc h THR 449 Ca 0.10 -0.08 0.05 0.00 0.77 0.00 0.00 66.41 67.25 2sqc h THR 449 Cb 0.31 0.63 -0.06 0.00 -1.74 0.00 0.00 68.15 67.29 2sqc h THR 449 CO 0.00 0.04 0.58 0.00 0.37 0.00 0.00 175.52 176.52 2sqc h ALA 450 N 1.22 1.24 -0.42 6.16 0.00 -0.86 -0.87 119.26 125.73 2sqc h ALA 450 Ca 0.15 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.95 2sqc h ALA 450 Cb 0.13 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 2sqc h ALA 450 CO -0.16 0.38 -0.10 0.45 0.00 0.00 0.00 179.25 179.81 2sqc h HIS 451 N 1.08 0.81 -0.49 0.00 3.86 -0.42 -0.83 115.15 119.16 2sqc h HIS 451 Ca 0.39 -0.14 -0.01 0.00 -1.16 0.00 0.00 60.37 59.44 2sqc h HIS 451 Cb 0.12 -0.21 -0.02 0.00 1.06 0.00 0.00 27.41 28.35 2sqc h HIS 451 CO -0.02 0.81 0.26 0.28 0.86 0.00 0.00 177.93 180.12 2sqc h VAL 452 N 0.68 1.18 -0.58 2.45 2.07 -0.82 -1.43 116.25 119.80 2sqc h VAL 452 Ca 0.12 -0.46 -0.08 0.00 0.82 0.00 0.00 66.70 67.10 2sqc h VAL 452 Cb 0.56 0.59 -0.02 0.00 -1.52 0.00 0.00 31.29 30.89 2sqc h VAL 452 CO 0.03 0.19 0.04 -0.07 0.02 0.00 0.00 177.57 177.79 2sqc h LEU 453 N 0.65 0.92 -0.69 2.57 4.07 -0.66 -0.03 115.31 122.14 2sqc h LEU 453 Ca 0.17 -0.23 0.00 0.00 0.08 0.00 0.00 57.88 57.90 2sqc h LEU 453 Cb 0.07 -0.25 -0.03 0.00 1.08 0.00 0.00 40.66 41.53 2sqc h LEU 453 CO -0.03 0.96 0.43 -0.33 -1.08 0.00 0.00 178.44 178.40 2sqc h GLU 454 N 0.89 0.92 0.29 1.13 5.08 -0.84 0.27 114.58 122.33 2sqc h GLU 454 Ca 0.17 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.45 2sqc h GLU 454 Cb 0.46 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.52 2sqc h GLU 454 CO 0.02 0.63 -0.14 0.00 -1.00 0.00 0.00 179.01 178.52 2sqc h PHE 456 N -0.40 1.08 0.00 0.00 0.04 -0.74 -1.81 116.94 115.12 2sqc h PHE 456 Ca -0.04 -0.03 -0.01 0.00 2.80 0.00 0.00 57.97 60.69 2sqc h PHE 456 Cb 0.31 -0.35 -0.00 0.00 2.20 0.00 0.00 35.95 38.11 2sqc h PHE 456 CO -0.06 0.76 -0.06 0.78 -0.60 0.00 0.00 178.31 179.14 2sqc h GLY 457 N 1.13 0.00 2.00 -1.45 0.00 -0.36 -1.81 103.07 102.59 2sqc h GLY 457 Ca 0.28 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.61 2sqc h GLY 457 CO -0.04 0.00 0.00 -1.14 0.00 0.00 0.00 176.54 175.36 2sqc n SER 458 N -4.31 0.65 -0.88 0.19 3.41 -0.68 -0.99 113.62 111.01 2sqc n SER 458 Ca -0.03 0.67 0.12 0.00 -0.26 0.00 0.00 58.87 59.37 2sqc n SER 458 Cb 0.14 -0.80 0.27 0.00 -0.26 0.00 0.00 64.21 63.56 2sqc n SER 458 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 2sqc n PHE 459 N -2.23 0.28 -0.68 7.33 3.72 -0.68 -4.95 117.46 120.25 2sqc n PHE 459 Ca 0.02 -0.14 0.00 0.00 -0.05 0.00 0.00 57.45 57.28 2sqc n PHE 459 Cb 0.21 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.75 2sqc n PHE 459 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2sqc n GLY 460 N 1.34 0.71 3.88 1.37 0.00 -0.16 -5.06 105.19 107.26 2sqc n GLY 460 Ca 0.17 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.89 2sqc n GLY 460 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2sqc s TYR 461 N -2.41 3.57 0.00 1.61 2.02 -1.23 -5.02 117.35 115.90 2sqc s TYR 461 Ca 0.00 1.15 0.00 0.00 -0.37 0.00 0.00 57.07 57.85 2sqc s TYR 461 Cb 0.00 -2.58 0.00 0.00 -0.40 0.00 0.00 41.96 38.98 2sqc s TYR 461 CO 0.00 -0.47 0.00 -0.40 -1.57 0.00 0.00 175.55 173.11 2sqc n ASP 462 N -2.31 0.00 0.00 2.29 5.68 -1.26 -4.50 116.55 116.44 2sqc n ASP 462 Ca 0.04 -0.73 0.02 0.00 -0.50 0.00 0.00 54.79 53.62 2sqc n ASP 462 Cb 0.54 0.00 0.11 0.00 -1.14 0.00 0.00 41.12 40.63 2sqc n ASP 462 CO 0.00 0.00 0.00 -0.90 -1.33 0.00 0.00 177.20 174.97 2sqc n ASP 463 N -2.13 0.00 0.11 -1.12 5.75 -1.25 -1.84 116.55 116.07 2sqc n ASP 463 Ca 0.00 -1.66 -0.03 0.00 -0.01 0.00 0.00 54.79 53.09 2sqc n ASP 463 Cb 0.00 0.00 0.14 0.00 -1.03 0.00 0.00 41.12 40.23 2sqc n ASP 463 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2sqc h ALA 464 N 2.91 0.91 -2.14 2.12 0.00 -1.96 -3.37 119.26 117.72 2sqc h ALA 464 Ca 0.00 -0.56 -0.56 0.00 0.00 0.00 0.00 54.91 53.79 2sqc h ALA 464 Cb 0.00 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.66 2sqc h ALA 464 CO 0.00 0.75 0.95 -0.46 0.00 0.00 0.00 179.25 180.49 2sqc s TRP 465 N -3.68 2.66 0.58 0.00 -0.00 -0.76 -4.91 118.94 112.83 2sqc s TRP 465 Ca -0.03 0.84 0.28 0.00 -0.00 0.00 0.00 56.10 57.20 2sqc s TRP 465 Cb 0.12 -3.63 1.67 0.00 -0.00 0.00 0.00 33.47 31.63 2sqc s TRP 465 CO 0.78 -2.10 2.14 0.87 -0.00 0.00 0.00 176.95 178.64 2sqc h LYS 466 N 8.65 0.00 -0.24 5.86 1.57 -1.88 -1.13 116.57 129.39 2sqc h LYS 466 Ca -0.29 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.49 2sqc h LYS 466 Cb 1.12 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.41 2sqc h LYS 466 CO 0.98 0.00 0.14 0.28 -0.57 0.00 0.00 179.45 180.28 2sqc h VAL 467 N 0.00 1.11 -0.27 0.50 2.07 -1.93 -0.33 116.25 117.40 2sqc h VAL 467 Ca 0.06 -0.27 -0.13 0.00 0.82 0.00 0.00 66.70 67.18 2sqc h VAL 467 Cb 0.34 0.84 -0.00 0.00 -1.52 0.00 0.00 31.29 30.95 2sqc h VAL 467 CO -0.00 0.10 -0.35 0.40 0.02 0.00 0.00 177.57 177.74 2sqc h ILE 468 N 0.29 1.30 -0.27 4.57 2.04 -1.52 -2.95 117.51 120.98 2sqc h ILE 468 Ca 0.09 -1.54 0.04 0.00 1.00 0.00 0.00 64.86 64.45 2sqc h ILE 468 Cb 0.04 1.65 -0.03 0.00 -0.74 0.00 0.00 36.82 37.74 2sqc h ILE 468 CO -0.02 0.49 0.05 -0.09 0.00 0.00 0.00 178.15 178.59 2sqc h ARG 469 N 0.45 0.15 -0.67 2.37 2.43 -1.19 0.27 114.38 118.19 2sqc h ARG 469 Ca 0.03 -0.01 0.04 0.00 -0.81 0.00 0.00 59.98 59.23 2sqc h ARG 469 Cb 0.93 -0.03 -0.04 0.00 -0.42 0.00 0.00 29.97 30.41 2sqc h ARG 469 CO 0.08 0.10 0.44 0.00 -1.51 0.00 0.00 179.97 179.09 2sqc h ARG 470 N 0.16 0.77 -0.32 0.20 3.08 -1.11 -0.92 114.38 116.23 2sqc h ARG 470 Ca 0.12 -0.05 -0.12 0.00 0.07 0.00 0.00 59.98 60.01 2sqc h ARG 470 Cb 0.13 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 30.00 2sqc h ARG 470 CO -0.16 0.51 -0.25 0.00 -1.07 0.00 0.00 179.97 178.99 2sqc h ALA 471 N 1.61 0.47 -0.68 0.04 0.00 -1.21 -1.41 119.26 118.07 2sqc h ALA 471 Ca 0.27 -0.39 -0.08 0.00 0.00 0.00 0.00 54.91 54.72 2sqc h ALA 471 Cb 0.09 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 2sqc h ALA 471 CO -0.08 0.46 0.13 0.28 0.00 0.00 0.00 179.25 180.04 2sqc h VAL 472 N 0.51 1.26 -0.58 0.00 2.07 -0.53 -0.64 116.25 118.33 2sqc h VAL 472 Ca 0.06 -1.02 -0.08 0.00 0.82 0.00 0.00 66.70 66.49 2sqc h VAL 472 Cb 0.82 0.60 -0.02 0.00 -1.52 0.00 0.00 31.29 31.16 2sqc h VAL 472 CO 0.07 0.39 0.06 -0.33 0.02 0.00 0.00 177.57 177.77 2sqc h GLU 473 N 1.05 0.97 -0.13 1.57 4.39 -1.08 0.18 114.58 121.53 2sqc h GLU 473 Ca 0.21 -0.26 0.00 0.00 0.34 0.00 0.00 59.36 59.65 2sqc h GLU 473 Cb 0.42 -0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 28.95 2sqc h GLU 473 CO 0.01 0.92 0.08 -0.92 -1.16 0.00 0.00 179.01 177.94 2sqc h TYR 474 N 0.91 0.17 -0.77 4.33 3.20 -0.92 -0.95 116.97 122.93 2sqc h TYR 474 Ca 0.18 0.00 0.02 0.00 3.14 0.00 0.00 58.73 62.07 2sqc h TYR 474 Cb 0.45 -0.05 -0.04 0.00 1.54 0.00 0.00 36.73 38.62 2sqc h TYR 474 CO 0.03 0.13 0.50 -0.07 -1.64 0.00 0.00 178.16 177.11 2sqc h LEU 475 N 0.15 0.85 -0.93 2.82 3.38 -0.51 -1.83 115.31 119.24 2sqc h LEU 475 Ca 0.05 -0.01 0.01 0.00 0.09 0.00 0.00 57.88 58.01 2sqc h LEU 475 Cb 0.01 -0.20 -0.05 0.00 0.09 0.00 0.00 40.66 40.51 2sqc h LEU 475 CO -0.01 0.60 0.62 0.11 0.09 0.00 0.00 178.44 179.85 2sqc h LYS 476 N 1.00 1.23 -0.01 1.13 1.57 -0.75 -1.34 116.57 119.40 2sqc h LYS 476 Ca 0.29 -0.07 -0.09 0.00 -1.87 0.00 0.00 60.65 58.91 2sqc h LYS 476 Cb -0.06 -0.28 -0.01 0.00 0.08 0.00 0.00 32.23 31.96 2sqc h LYS 476 CO -0.08 0.81 -0.40 0.00 -0.57 0.00 0.00 179.45 179.21 2sqc h ARG 477 N 1.26 0.03 0.00 3.15 3.08 -0.59 -3.09 114.38 118.22 2sqc h ARG 477 Ca 0.34 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.38 2sqc h ARG 477 Cb -0.14 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 29.90 2sqc h ARG 477 CO -0.07 0.42 -0.43 0.39 -1.07 0.00 0.00 179.97 179.20 2sqc n GLU 478 N -4.06 0.25 -1.65 0.04 -0.58 -0.60 -4.92 120.64 109.11 2sqc n GLU 478 Ca -0.02 0.11 -0.44 0.00 -0.42 0.00 0.00 57.16 56.39 2sqc n GLU 478 Cb 0.43 -1.69 -0.02 0.00 -0.57 0.00 0.00 31.44 29.60 2sqc n GLU 478 CO 0.00 0.00 0.00 0.94 -0.48 0.00 0.00 177.13 177.59 2sqc n GLN 479 N -2.07 1.81 -1.94 3.49 7.27 -0.62 -4.81 117.38 120.53 2sqc n GLN 479 Ca 0.04 0.64 -0.29 0.00 0.07 0.00 0.00 57.00 57.46 2sqc n GLN 479 Cb 0.42 -2.17 0.06 0.00 2.41 0.00 0.00 30.24 30.96 2sqc n GLN 479 CO 0.00 0.00 0.00 0.15 0.07 0.00 0.00 177.06 177.28 2sqc s LYS 480 N -1.33 2.64 0.48 3.69 -0.14 0.31 -4.93 119.74 120.46 2sqc s LYS 480 Ca 0.61 0.32 0.18 0.00 -1.36 0.00 0.00 55.97 55.72 2sqc s LYS 480 Cb -0.65 -2.03 1.20 0.00 -1.68 0.00 0.00 37.83 34.68 2sqc s LYS 480 CO 0.58 -1.14 2.02 -1.35 -0.76 0.00 0.00 175.35 174.70 2sqc h PRO 481 N -0.71 0.19 -0.01 -1.68 0.11 -1.93 0.98 132.00 128.96 2sqc h PRO 481 Ca -0.45 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.65 2sqc h PRO 481 Cb 1.27 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.34 2sqc h PRO 481 CO 0.64 0.12 -0.00 -0.40 -0.21 0.00 0.00 178.00 178.15 2sqc n ASP 482 N -4.45 0.53 0.00 -2.05 5.68 -1.26 -4.89 116.55 110.11 2sqc n ASP 482 Ca 0.07 -1.17 0.00 0.00 -0.50 0.00 0.00 54.79 53.19 2sqc n ASP 482 Cb 0.39 -0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.37 2sqc n ASP 482 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2sqc n GLY 483 N 1.06 0.78 3.95 6.12 0.00 0.34 -4.74 105.19 112.69 2sqc n GLY 483 Ca 0.22 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.99 2sqc n GLY 483 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2sqc s SER 484 N -1.82 4.71 -0.03 1.61 1.04 -1.26 -3.95 113.70 114.00 2sqc s SER 484 Ca 0.00 0.23 0.06 0.00 0.48 0.00 0.00 55.95 56.72 2sqc s SER 484 Cb 0.00 -0.84 -0.01 0.00 0.10 0.00 0.00 66.02 65.26 2sqc s SER 484 CO 0.00 -1.63 -0.20 0.26 0.98 0.00 0.00 173.24 172.65 2sqc s TRP 485 N -3.18 1.92 0.71 5.02 0.51 -1.26 -0.53 118.94 122.13 2sqc s TRP 485 Ca 0.61 -0.47 -0.16 0.00 -2.12 0.00 0.00 56.10 53.97 2sqc s TRP 485 Cb -0.09 -1.26 0.03 0.00 -0.81 0.00 0.00 33.47 31.33 2sqc s TRP 485 CO 0.44 -0.11 1.24 0.12 -0.51 0.00 0.00 176.95 178.13 2sqc s PHE 486 N -0.26 2.01 -0.45 -1.98 5.36 -1.26 -2.87 117.98 118.54 2sqc s PHE 486 Ca 0.02 1.57 -0.05 0.00 -0.96 0.00 0.00 56.93 57.51 2sqc s PHE 486 Cb -0.10 -3.56 0.12 0.00 -0.34 0.00 0.00 43.02 39.14 2sqc s PHE 486 CO 0.01 -2.77 0.27 0.20 -1.46 0.00 0.00 175.22 171.47 2sqc s GLY 487 N -1.81 2.05 0.15 13.12 0.00 -0.98 -4.15 107.32 115.70 2sqc s GLY 487 Ca 0.77 -2.59 -0.10 0.00 0.00 0.00 0.00 44.72 42.79 2sqc s GLY 487 CO 0.44 1.06 1.52 -0.09 0.00 0.00 0.00 173.10 176.03 2sqc h ARG 488 N 8.10 0.99 -0.01 2.90 9.65 -1.95 -3.36 114.38 130.70 2sqc h ARG 488 Ca -0.14 -0.46 0.00 0.00 -1.10 0.00 0.00 59.98 58.28 2sqc h ARG 488 Cb 1.05 -0.01 0.00 0.00 -1.39 0.00 0.00 29.97 29.61 2sqc h ARG 488 CO 0.75 1.13 -0.02 0.91 2.80 0.00 0.00 179.97 185.54 2sqc n TRP 489 N -4.09 0.00 -4.07 2.20 7.02 -1.26 -4.63 117.44 112.61 2sqc n TRP 489 Ca -0.01 0.00 -0.10 0.00 -1.02 0.00 0.00 57.50 56.37 2sqc n TRP 489 Cb 0.49 0.00 -0.11 0.00 -2.42 0.00 0.00 31.31 29.28 2sqc n TRP 489 CO 0.00 0.00 0.00 0.20 -2.02 0.00 0.00 177.69 175.87 2sqc s GLY 490 N -0.52 0.48 -0.38 6.99 0.00 -1.26 -1.57 107.32 111.06 2sqc s GLY 490 Ca 0.06 -0.91 -0.23 0.00 0.00 0.00 0.00 44.72 43.64 2sqc s GLY 490 CO 0.08 -0.99 0.76 0.14 0.00 0.00 0.00 173.10 173.08 2sqc s VAL 491 N -2.29 4.75 0.00 1.40 1.01 0.75 -4.41 120.40 121.60 2sqc s VAL 491 Ca -0.04 0.74 0.00 0.00 0.00 0.00 0.00 61.98 62.68 2sqc s VAL 491 Cb -0.04 -4.21 0.00 0.00 0.00 0.00 0.00 36.38 32.13 2sqc s VAL 491 CO -0.03 -0.47 0.00 -3.20 0.00 0.00 0.00 175.10 171.40 2sqc n ASN 492 N 6.41 0.00 0.15 3.32 5.15 -1.26 -3.90 115.26 125.13 2sqc n ASN 492 Ca 0.02 0.00 -0.00 0.00 -0.60 0.00 0.00 54.58 54.00 2sqc n ASN 492 Cb 0.48 0.00 0.25 0.00 -0.53 0.00 0.00 39.78 39.98 2sqc n ASN 492 CO 0.00 0.00 0.00 1.88 1.40 0.00 0.00 177.26 180.54 2sqc h TYR 493 N 0.00 0.06 -0.56 1.20 0.05 -1.87 -0.27 116.97 115.58 2sqc h TYR 493 Ca 0.00 -0.02 -0.02 0.00 0.05 0.00 0.00 58.73 58.74 2sqc h TYR 493 Cb 0.00 -0.01 -0.03 0.00 1.01 0.00 0.00 36.73 37.70 2sqc h TYR 493 CO 0.00 0.53 0.28 -0.07 -1.05 0.00 0.00 178.16 177.85 2sqc h LEU 494 N 0.04 0.72 0.14 3.88 3.38 -1.83 0.11 115.31 121.76 2sqc h LEU 494 Ca -0.00 -0.12 -0.01 0.00 0.09 0.00 0.00 57.88 57.84 2sqc h LEU 494 Cb 0.89 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.45 2sqc h LEU 494 CO 0.07 0.64 -0.07 0.22 0.09 0.00 0.00 178.44 179.39 2sqc h TYR 495 N 0.76 -0.18 -0.66 1.13 3.20 -1.55 -0.40 116.97 119.27 2sqc h TYR 495 Ca 0.19 -0.00 -0.04 0.00 3.14 0.00 0.00 58.73 62.02 2sqc h TYR 495 Cb 0.10 0.06 -0.03 0.00 1.54 0.00 0.00 36.73 38.40 2sqc h TYR 495 CO -0.01 0.14 0.24 0.78 -1.64 0.00 0.00 178.16 177.67 2sqc h GLY 496 N -0.51 1.07 0.91 1.82 0.00 -1.06 -0.84 103.07 104.47 2sqc h GLY 496 Ca -0.02 -0.61 -0.04 0.00 0.00 0.00 0.00 47.33 46.66 2sqc h GLY 496 CO 0.03 0.57 0.05 -0.84 0.00 0.00 0.00 176.54 176.35 2sqc h THR 497 N 0.94 1.24 -0.36 4.70 2.02 -0.63 0.66 112.91 121.48 2sqc h THR 497 Ca 0.22 -0.85 -0.01 0.00 0.77 0.00 0.00 66.41 66.53 2sqc h THR 497 Cb 0.25 1.11 -0.02 0.00 -1.74 0.00 0.00 68.15 67.76 2sqc h THR 497 CO -0.01 0.28 0.18 1.23 0.37 0.00 0.00 175.52 177.57 2sqc h GLY 498 N 0.42 0.55 0.93 2.16 0.00 -0.93 -1.10 103.07 105.10 2sqc h GLY 498 Ca 0.11 -0.27 -0.02 0.00 0.00 0.00 0.00 47.33 47.15 2sqc h GLY 498 CO 0.01 0.25 0.13 0.00 0.00 0.00 0.00 176.54 176.93 2sqc h ALA 499 N 1.03 0.46 -0.21 3.60 0.00 -0.98 -2.46 119.26 120.70 2sqc h ALA 499 Ca 0.12 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 2sqc h ALA 499 Cb 0.10 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 2sqc h ALA 499 CO -0.02 0.08 -0.02 0.28 0.00 0.00 0.00 179.25 179.57 2sqc h VAL 500 N 0.42 1.27 -0.48 0.00 2.07 -0.66 -1.14 116.25 117.73 2sqc h VAL 500 Ca 0.12 -0.95 -0.02 0.00 0.82 0.00 0.00 66.70 66.67 2sqc h VAL 500 Cb 0.21 1.48 -0.02 0.00 -1.52 0.00 0.00 31.29 31.43 2sqc h VAL 500 CO -0.01 0.29 0.24 0.58 0.02 0.00 0.00 177.57 178.69 2sqc h VAL 501 N 0.13 1.18 -0.69 2.57 2.07 -1.25 -0.17 116.25 120.10 2sqc h VAL 501 Ca 0.06 -0.51 0.06 0.00 0.82 0.00 0.00 66.70 67.13 2sqc h VAL 501 Cb 0.44 0.64 -0.05 0.00 -1.52 0.00 0.00 31.29 30.79 2sqc h VAL 501 CO 0.01 0.20 0.39 0.28 0.02 0.00 0.00 177.57 178.48 2sqc h SER 502 N 0.63 0.59 -0.44 0.57 0.02 -1.41 -1.49 113.55 112.03 2sqc h SER 502 Ca 0.17 0.03 -0.00 0.00 -0.84 0.00 0.00 61.79 61.14 2sqc h SER 502 Cb 0.10 -0.09 -0.02 0.00 0.14 0.00 0.00 62.40 62.53 2sqc h SER 502 CO -0.02 0.38 0.27 0.00 -1.14 0.00 0.00 176.83 176.31 2sqc h ALA 503 N 1.35 0.56 -0.68 3.77 0.00 -0.68 -0.78 119.26 122.79 2sqc h ALA 503 Ca 0.30 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 55.12 2sqc h ALA 503 Cb 0.17 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 2sqc h ALA 503 CO -0.18 0.04 0.29 -0.07 0.00 0.00 0.00 179.25 179.33 2sqc h LEU 504 N 0.58 0.92 -0.21 0.00 3.38 -0.58 -1.87 115.31 117.54 2sqc h LEU 504 Ca 0.16 -0.16 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 2sqc h LEU 504 Cb -0.01 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.49 2sqc h LEU 504 CO -0.03 0.83 0.12 0.50 0.09 0.00 0.00 178.44 179.95 2sqc h LYS 505 N 0.95 0.28 0.00 1.13 1.63 -1.19 -1.02 116.57 118.36 2sqc h LYS 505 Ca 0.23 -0.03 -0.01 0.00 -0.85 0.00 0.00 60.65 59.99 2sqc h LYS 505 Cb 0.18 -0.06 -0.00 0.00 -0.60 0.00 0.00 32.23 31.75 2sqc h LYS 505 CO -0.02 0.25 -0.05 0.00 -3.45 0.00 0.00 179.45 176.17 2sqc h ALA 506 N 1.02 1.89 -0.73 5.00 0.00 -0.66 -2.19 119.26 123.59 2sqc h ALA 506 Ca 0.07 -0.05 -0.21 0.00 0.00 0.00 0.00 54.91 54.73 2sqc h ALA 506 Cb 0.04 -0.01 -0.12 0.00 0.00 0.00 0.00 17.79 17.70 2sqc h ALA 506 CO -0.01 0.07 0.26 1.33 0.00 0.00 0.00 179.25 180.89 2sqc n VAL 507 N -4.44 2.87 -1.01 0.00 0.24 -0.74 -4.45 118.33 110.79 2sqc n VAL 507 Ca -0.03 -1.56 -0.00 0.00 -2.04 0.00 0.00 64.34 60.71 2sqc n VAL 507 Cb 0.13 -0.37 -0.00 0.00 -1.47 0.00 0.00 33.84 32.13 2sqc n VAL 507 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2sqc n GLY 508 N -0.09 0.47 3.76 7.63 0.00 -0.82 -3.91 105.19 112.23 2sqc n GLY 508 Ca 0.40 -0.50 -0.40 0.00 0.00 0.00 0.00 46.02 45.52 2sqc n GLY 508 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2sqc s ILE 509 N -1.99 3.35 -0.28 -0.61 -1.09 -0.40 -4.95 121.20 115.23 2sqc s ILE 509 Ca 0.00 1.29 -0.29 0.00 -2.23 0.00 0.00 60.65 59.42 2sqc s ILE 509 Cb 0.00 -3.80 -0.01 0.00 -1.58 0.00 0.00 42.46 37.07 2sqc s ILE 509 CO 0.00 0.26 1.47 -0.62 -1.23 0.00 0.00 174.94 174.82 2sqc s ASP 510 N -0.94 6.47 0.00 3.58 -1.08 -1.26 -4.57 116.67 118.87 2sqc s ASP 510 Ca 0.48 1.34 0.20 0.00 -0.52 0.00 0.00 52.55 54.06 2sqc s ASP 510 Cb -0.32 -2.54 1.02 0.00 -1.46 0.00 0.00 42.92 39.63 2sqc s ASP 510 CO 0.41 -1.23 1.63 0.35 0.52 0.00 0.00 175.17 176.85 2sqc n THR 511 N 6.45 0.37 0.69 1.71 -2.24 -1.26 -1.98 114.28 118.03 2sqc n THR 511 Ca 0.17 0.09 0.12 0.00 -2.27 0.00 0.00 64.05 62.17 2sqc n THR 511 Cb 0.46 -0.76 0.47 0.00 -2.10 0.00 0.00 70.33 68.40 2sqc n THR 511 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2sqc n ARG 512 N -1.28 0.13 -1.69 -0.78 1.74 -1.26 -3.96 116.66 109.57 2sqc n ARG 512 Ca 0.10 0.19 -0.39 0.00 -0.77 0.00 0.00 57.85 56.97 2sqc n ARG 512 Cb 0.16 -1.67 0.03 0.00 -1.02 0.00 0.00 32.46 29.96 2sqc n ARG 512 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 2sqc n GLU 513 N -1.90 1.56 -0.22 5.56 1.02 -0.84 -4.73 120.64 121.08 2sqc n GLU 513 Ca 0.05 0.57 0.02 0.00 -0.02 0.00 0.00 57.16 57.78 2sqc n GLU 513 Cb 0.33 -2.37 0.14 0.00 -0.02 0.00 0.00 31.44 29.51 2sqc n GLU 513 CO 0.00 0.00 0.00 -1.35 1.18 0.00 0.00 177.13 176.96 2sqc h PRO 514 N 1.44 0.34 -0.32 3.49 0.11 -1.92 -1.46 132.00 133.69 2sqc h PRO 514 Ca -0.49 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 65.58 2sqc h PRO 514 Cb 1.32 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 32.33 2sqc h PRO 514 CO 0.57 0.23 0.11 0.10 -0.21 0.00 0.00 178.00 178.79 2sqc h TYR 515 N 0.35 0.44 0.09 0.65 -0.00 -1.95 0.24 116.97 116.79 2sqc h TYR 515 Ca 0.35 -0.01 -0.29 0.00 -0.00 0.00 0.00 58.73 58.78 2sqc h TYR 515 Cb 0.51 -0.14 0.03 0.00 -0.00 0.00 0.00 36.73 37.13 2sqc h TYR 515 CO -0.20 0.37 -1.18 0.82 -0.00 0.00 0.00 178.16 177.96 2sqc h ILE 516 N 0.45 1.29 -0.99 -0.90 2.04 -1.65 -2.82 117.51 114.94 2sqc h ILE 516 Ca 0.11 -2.43 0.04 0.00 1.00 0.00 0.00 64.86 63.57 2sqc h ILE 516 Cb 0.12 2.61 -0.06 0.00 -0.74 0.00 0.00 36.82 38.76 2sqc h ILE 516 CO -0.01 0.74 0.65 1.56 0.00 0.00 0.00 178.15 181.09 2sqc h GLN 517 N 0.30 1.22 -0.59 2.37 1.08 -0.90 -0.59 115.11 118.00 2sqc h GLN 517 Ca -0.17 -0.07 -0.00 0.00 -1.45 0.00 0.00 58.65 56.96 2sqc h GLN 517 Cb 1.85 -0.27 -0.03 0.00 -0.05 0.00 0.00 27.48 28.98 2sqc h GLN 517 CO 0.23 0.81 0.37 -0.22 -0.95 0.00 0.00 178.83 179.06 2sqc h LYS 518 N 1.25 0.79 -0.80 1.46 3.64 -0.95 -0.11 116.57 121.86 2sqc h LYS 518 Ca 0.39 -0.06 -0.05 0.00 -1.27 0.00 0.00 60.65 59.66 2sqc h LYS 518 Cb -0.01 -0.17 -0.04 0.00 -0.41 0.00 0.00 32.23 31.61 2sqc h LYS 518 CO -0.12 0.56 0.32 0.00 -2.27 0.00 0.00 179.45 177.94 2sqc h ALA 519 N 1.19 1.05 -0.57 5.00 0.00 -1.03 -0.29 119.26 124.61 2sqc h ALA 519 Ca 0.21 -0.20 -0.06 0.00 0.00 0.00 0.00 54.91 54.86 2sqc h ALA 519 Cb -0.04 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.41 2sqc h ALA 519 CO -0.04 0.67 0.10 -0.07 0.00 0.00 0.00 179.25 179.91 2sqc h LEU 520 N 1.17 0.86 -0.48 0.00 3.38 -0.74 -0.38 115.31 119.11 2sqc h LEU 520 Ca 0.27 -0.18 -0.15 0.00 0.09 0.00 0.00 57.88 57.90 2sqc h LEU 520 Cb 0.22 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 2sqc h LEU 520 CO -0.02 0.87 -0.41 0.44 0.09 0.00 0.00 178.44 179.41 2sqc h ASP 521 N 0.86 0.85 -0.55 -0.43 3.32 -0.66 -0.71 116.42 119.10 2sqc h ASP 521 Ca 0.18 -0.40 0.07 0.00 0.02 0.00 0.00 57.03 56.90 2sqc h ASP 521 Cb 0.37 -0.24 -0.06 0.00 0.22 0.00 0.00 39.33 39.63 2sqc h ASP 521 CO 0.01 1.15 0.24 -0.25 -1.72 0.00 0.00 179.24 178.67 2sqc h TRP 522 N 0.65 0.43 0.33 4.55 7.01 -0.60 0.14 115.95 128.46 2sqc h TRP 522 Ca 0.05 0.02 -0.02 0.00 2.11 0.00 0.00 58.89 61.06 2sqc h TRP 522 Cb 0.97 -0.11 0.00 0.00 -2.10 0.00 0.00 29.16 27.92 2sqc h TRP 522 CO 0.05 0.17 -0.16 0.28 -2.79 0.00 0.00 178.44 176.00 2sqc h VAL 523 N 0.46 0.68 -0.90 2.65 2.07 -0.54 -2.69 116.25 117.97 2sqc h VAL 523 Ca 0.26 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.84 2sqc h VAL 523 Cb 0.24 0.68 -0.06 0.00 -1.52 0.00 0.00 31.29 30.63 2sqc h VAL 523 CO -0.22 0.00 0.59 -0.33 0.02 0.00 0.00 177.57 177.62 2sqc h GLU 524 N -0.44 1.01 0.00 1.57 5.08 -0.75 -1.08 114.58 119.98 2sqc h GLU 524 Ca -0.04 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.25 2sqc h GLU 524 Cb 0.34 -0.23 0.00 0.00 0.50 0.00 0.00 28.75 29.36 2sqc h GLU 524 CO 0.07 0.67 0.00 1.96 -1.00 0.00 0.00 179.01 180.71 2sqc h GLN 525 N 1.04 0.00 -0.38 2.33 4.20 -0.46 -2.71 115.11 119.14 2sqc h GLN 525 Ca 0.38 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.09 2sqc h GLN 525 Cb 0.16 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.94 2sqc h GLN 525 CO -0.14 0.00 0.00 0.72 -0.67 0.00 0.00 178.83 178.74 2sqc n HIS 526 N -2.41 0.48 -1.90 2.96 8.25 -0.41 -4.97 115.22 117.22 2sqc n HIS 526 Ca 0.00 -0.27 -0.39 0.00 -0.26 0.00 0.00 57.72 56.81 2sqc n HIS 526 Cb 0.17 -0.00 0.01 0.00 1.12 0.00 0.00 29.99 31.29 2sqc n HIS 526 CO 0.00 0.00 0.00 -1.14 0.64 0.00 0.00 176.34 175.84 2sqc s GLN 527 N -1.39 3.72 0.60 -0.41 0.74 -1.03 -4.76 119.66 117.14 2sqc s GLN 527 Ca 0.36 2.29 -0.05 0.00 0.05 0.00 0.00 55.36 58.01 2sqc s GLN 527 Cb 0.21 -2.64 0.02 0.00 1.10 0.00 0.00 33.01 31.71 2sqc s GLN 527 CO 0.29 -0.74 0.90 -0.80 -0.55 0.00 0.00 175.29 174.39 2sqc s ASN 528 N -0.66 5.41 0.49 6.67 0.01 0.16 -4.96 114.94 122.06 2sqc s ASN 528 Ca 0.61 0.57 0.14 0.00 -0.71 0.00 0.00 52.86 53.47 2sqc s ASN 528 Cb -0.41 -1.50 1.17 0.00 0.41 0.00 0.00 41.25 40.93 2sqc s ASN 528 CO 0.52 -1.16 2.12 -0.65 -1.51 0.00 0.00 177.10 176.42 2sqc h PRO 529 N -0.21 0.13 0.00 -0.60 0.11 -1.94 -0.12 132.00 129.37 2sqc h PRO 529 Ca -0.45 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.65 2sqc h PRO 529 Cb 1.27 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.35 2sqc h PRO 529 CO 0.60 0.09 0.00 -0.40 -0.21 0.00 0.00 178.00 178.08 2sqc n ASP 530 N -4.52 0.00 0.00 -2.05 5.68 -1.26 -4.88 116.55 109.52 2sqc n ASP 530 Ca -0.01 -0.39 0.00 0.00 -0.50 0.00 0.00 54.79 53.89 2sqc n ASP 530 Cb 0.10 -0.17 0.00 0.00 -1.14 0.00 0.00 41.12 39.91 2sqc n ASP 530 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2sqc n GLY 531 N 0.85 2.74 3.97 6.12 0.00 -0.06 -4.66 105.19 114.16 2sqc n GLY 531 Ca 0.16 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.93 2sqc n GLY 531 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2sqc n GLY 532 N -2.00 0.17 3.31 -0.02 0.00 -1.26 -3.09 105.19 102.29 2sqc n GLY 532 Ca 0.00 -1.96 -0.23 0.00 0.00 0.00 0.00 46.02 43.83 2sqc n GLY 532 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2sqc s TRP 533 N -3.35 1.81 0.14 1.61 0.51 -1.26 -0.66 118.94 117.73 2sqc s TRP 533 Ca 0.70 -0.44 -0.16 0.00 -2.12 0.00 0.00 56.10 54.08 2sqc s TRP 533 Cb -0.03 -0.95 0.03 0.00 -0.81 0.00 0.00 33.47 31.71 2sqc s TRP 533 CO 0.47 0.26 0.41 0.20 -0.51 0.00 0.00 176.95 177.79 2sqc s GLY 534 N -2.26 -0.21 -0.23 0.98 0.00 -1.26 -1.69 107.32 102.66 2sqc s GLY 534 Ca 0.11 -0.12 -0.06 0.00 0.00 0.00 0.00 44.72 44.65 2sqc s GLY 534 CO 0.05 -0.33 0.45 1.85 0.00 0.00 0.00 173.10 175.13 2sqc s GLU 535 N -3.82 0.38 0.65 2.90 2.12 -1.26 -2.23 118.70 117.43 2sqc s GLU 535 Ca 0.05 0.97 -0.13 0.00 0.36 0.00 0.00 54.97 56.22 2sqc s GLU 535 Cb 0.01 0.23 -0.02 0.00 0.26 0.00 0.00 34.13 34.62 2sqc s GLU 535 CO -0.10 -0.36 1.05 0.34 -0.54 0.00 0.00 175.26 175.65 2sqc s ASP 536 N 2.65 5.66 0.33 -1.70 2.15 0.25 -4.80 116.67 121.21 2sqc s ASP 536 Ca 0.03 1.65 0.25 0.00 0.43 0.00 0.00 52.55 54.92 2sqc s ASP 536 Cb -0.13 -2.50 1.15 0.00 -0.30 0.00 0.00 42.92 41.14 2sqc s ASP 536 CO -0.15 -1.25 1.77 0.00 -0.17 0.00 0.00 175.17 175.37 2sqc h ARG 538 N 0.00 0.00 -1.04 0.00 3.08 -1.94 -2.71 114.38 111.77 2sqc h ARG 538 Ca 0.00 0.00 0.28 0.00 0.07 0.00 0.00 59.98 60.33 2sqc h ARG 538 Cb 0.27 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 30.25 2sqc h ARG 538 CO 0.00 0.00 0.70 1.03 -1.07 0.00 0.00 179.97 180.63 2sqc h SER 539 N 0.00 0.27 0.62 7.04 0.87 -1.48 -1.19 113.55 119.67 2sqc h SER 539 Ca 0.00 0.05 -0.09 0.00 -1.23 0.00 0.00 61.79 60.52 2sqc h SER 539 Cb 0.13 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.08 2sqc h SER 539 CO 0.00 0.06 -0.41 1.88 -0.53 0.00 0.00 176.83 177.83 2sqc h TYR 540 N 0.24 0.00 -0.01 2.24 0.05 -1.74 -3.29 116.97 114.47 2sqc h TYR 540 Ca 0.55 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.33 2sqc h TYR 540 Cb 1.68 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.42 2sqc h TYR 540 CO -0.00 0.41 -0.06 0.39 -1.05 0.00 0.00 178.16 177.85 2sqc n GLU 541 N -3.76 0.91 -3.65 4.88 -0.58 -0.81 -4.82 120.64 112.81 2sqc n GLU 541 Ca -0.01 -0.75 -0.22 0.00 -0.42 0.00 0.00 57.16 55.76 2sqc n GLU 541 Cb 0.48 -1.07 -0.18 0.00 -0.57 0.00 0.00 31.44 30.10 2sqc n GLU 541 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 2sqc s ASP 542 N -0.78 1.50 0.57 1.62 -1.08 -0.51 -5.01 116.67 112.97 2sqc s ASP 542 Ca 0.07 -0.13 0.26 0.00 -0.52 0.00 0.00 52.55 52.23 2sqc s ASP 542 Cb 0.06 -0.15 1.57 0.00 -1.46 0.00 0.00 42.92 42.93 2sqc s ASP 542 CO 0.12 -0.28 2.11 -0.65 0.52 0.00 0.00 175.17 176.99 2sqc h PRO 543 N 8.43 0.00 0.00 4.34 0.11 -1.87 -0.56 132.00 142.45 2sqc h PRO 543 Ca -0.13 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.98 2sqc h PRO 543 Cb 1.13 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.24 2sqc h PRO 543 CO 0.19 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 177.98 2sqc n ALA 544 N -2.42 1.58 0.04 -0.75 0.00 -1.26 -2.08 120.51 115.62 2sqc n ALA 544 Ca 0.01 0.09 0.11 0.00 0.00 0.00 0.00 53.44 53.66 2sqc n ALA 544 Cb 0.30 -1.37 0.25 0.00 0.00 0.00 0.00 19.45 18.62 2sqc n ALA 544 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2sqc n TYR 545 N -2.21 0.66 -1.67 0.00 4.01 -0.22 -4.84 117.16 112.89 2sqc n TYR 545 Ca 0.02 -0.35 -0.44 0.00 -0.16 0.00 0.00 57.90 56.97 2sqc n TYR 545 Cb 0.20 -0.00 -0.04 0.00 -0.31 0.00 0.00 39.34 39.19 2sqc n TYR 545 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2sqc n ALA 546 N 1.49 1.54 -1.99 -0.72 0.00 -0.88 -1.07 120.51 118.88 2sqc n ALA 546 Ca 0.21 0.26 -0.20 0.00 0.00 0.00 0.00 53.44 53.71 2sqc n ALA 546 Cb 0.60 -2.60 -0.05 0.00 0.00 0.00 0.00 19.45 17.40 2sqc n ALA 546 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2sqc n GLY 547 N 4.39 0.73 3.03 0.00 0.00 -1.26 -4.97 105.19 107.11 2sqc n GLY 547 Ca 0.20 -0.04 -0.23 0.00 0.00 0.00 0.00 46.02 45.95 2sqc n GLY 547 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2sqc s LYS 548 N -4.36 1.34 0.00 1.61 2.20 -0.23 -4.71 119.74 115.59 2sqc s LYS 548 Ca 0.00 -0.39 0.00 0.00 -0.36 0.00 0.00 55.97 55.22 2sqc s LYS 548 Cb 0.00 -1.18 0.00 0.00 -1.51 0.00 0.00 37.83 35.14 2sqc s LYS 548 CO 0.00 0.10 0.00 0.41 -0.36 0.00 0.00 175.35 175.50 2sqc n GLY 549 N 3.47 0.11 3.71 5.54 0.00 -0.95 -0.59 105.19 116.49 2sqc n GLY 549 Ca -0.20 -1.10 -0.40 0.00 0.00 0.00 0.00 46.02 44.32 2sqc n GLY 549 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2sqc n ALA 550 N -0.59 1.37 -1.76 4.61 0.00 -1.26 -4.02 120.51 118.87 2sqc n ALA 550 Ca 0.00 0.21 -0.39 0.00 0.00 0.00 0.00 53.44 53.25 2sqc n ALA 550 Cb 0.00 -2.29 0.02 0.00 0.00 0.00 0.00 19.45 17.18 2sqc n ALA 550 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 2sqc s SER 551 N -0.68 5.75 0.07 0.00 0.01 -1.26 -4.01 113.70 113.58 2sqc s SER 551 Ca 0.65 2.81 0.02 0.00 1.31 0.00 0.00 55.95 60.75 2sqc s SER 551 Cb -0.47 -2.64 -0.03 0.00 0.21 0.00 0.00 66.02 63.09 2sqc s SER 551 CO 0.55 -1.25 -0.08 0.42 0.41 0.00 0.00 173.24 173.28 2sqc s THR 552 N -1.26 0.69 0.16 1.44 -4.23 -0.68 -4.88 115.64 106.89 2sqc s THR 552 Ca 0.64 -1.46 -0.15 0.00 -1.18 0.00 0.00 61.69 59.54 2sqc s THR 552 Cb -0.41 -1.10 0.04 0.00 1.34 0.00 0.00 72.50 72.36 2sqc s THR 552 CO 0.52 -0.56 1.80 1.55 -0.54 0.00 0.00 174.62 177.39 2sqc h PRO 553 N 3.84 0.64 -0.44 3.99 0.13 -1.86 -1.44 132.00 136.87 2sqc h PRO 553 Ca -0.36 -0.06 -0.14 0.00 -0.87 0.00 0.00 66.00 64.57 2sqc h PRO 553 Cb 1.19 -0.14 -0.01 0.00 0.13 0.00 0.00 31.00 32.17 2sqc h PRO 553 CO 0.50 0.46 -0.28 0.66 -0.23 0.00 0.00 178.00 179.12 2sqc h SER 554 N 0.63 1.00 0.40 1.44 4.64 -1.85 -1.06 113.55 118.76 2sqc h SER 554 Ca 0.17 -0.42 -0.15 0.00 -0.47 0.00 0.00 61.79 60.92 2sqc h SER 554 Cb -0.01 -0.28 -0.01 0.00 -0.31 0.00 0.00 62.40 61.78 2sqc h SER 554 CO -0.03 1.21 -0.62 1.56 -0.87 0.00 0.00 176.83 178.07 2sqc h GLN 555 N 0.80 0.21 -0.43 4.77 4.20 -1.79 -0.99 115.11 121.88 2sqc h GLN 555 Ca 0.09 -0.15 -0.03 0.00 0.06 0.00 0.00 58.65 58.62 2sqc h GLN 555 Cb 0.86 0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.65 2sqc h GLN 555 CO 0.08 0.77 0.14 1.15 -0.67 0.00 0.00 178.83 180.29 2sqc h THR 556 N 0.15 1.22 -0.53 -0.54 2.02 -1.23 -1.45 112.91 112.55 2sqc h THR 556 Ca -0.01 -0.71 0.03 0.00 0.77 0.00 0.00 66.41 66.49 2sqc h THR 556 Cb 1.13 0.87 -0.04 0.00 -1.74 0.00 0.00 68.15 68.38 2sqc h THR 556 CO 0.10 0.26 0.30 0.00 0.37 0.00 0.00 175.52 176.55 2sqc h ALA 557 N 0.99 0.68 -0.59 6.16 0.00 -0.85 -0.35 119.26 125.31 2sqc h ALA 557 Ca 0.14 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 2sqc h ALA 557 Cb 0.25 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 2sqc h ALA 557 CO -0.01 -0.00 0.35 -1.49 0.00 0.00 0.00 179.25 178.10 2sqc h TRP 558 N 0.60 0.78 -0.39 0.00 6.55 -0.88 -0.45 115.95 122.15 2sqc h TRP 558 Ca 0.22 -0.00 -0.02 0.00 0.95 0.00 0.00 58.89 60.04 2sqc h TRP 558 Cb 0.06 -0.25 -0.02 0.00 -0.86 0.00 0.00 29.16 28.09 2sqc h TRP 558 CO -0.07 0.54 0.18 0.00 -1.05 0.00 0.00 178.44 178.04 2sqc h ALA 559 N 1.17 0.50 -0.63 1.49 0.00 -0.97 -1.36 119.26 119.47 2sqc h ALA 559 Ca 0.21 -0.11 0.06 0.00 0.00 0.00 0.00 54.91 55.07 2sqc h ALA 559 Cb -0.01 -0.15 -0.06 0.00 0.00 0.00 0.00 17.79 17.57 2sqc h ALA 559 CO -0.04 0.07 0.33 -0.07 0.00 0.00 0.00 179.25 179.54 2sqc h LEU 560 N 0.49 0.46 -0.90 0.00 4.07 -0.75 -1.01 115.31 117.67 2sqc h LEU 560 Ca 0.13 0.04 -0.06 0.00 0.08 0.00 0.00 57.88 58.07 2sqc h LEU 560 Cb 0.13 -0.05 -0.03 0.00 1.08 0.00 0.00 40.66 41.79 2sqc h LEU 560 CO -0.02 0.30 0.14 0.24 -1.08 0.00 0.00 178.44 178.02 2sqc h MET 561 N 0.60 0.95 -0.26 1.13 2.86 -0.77 0.11 114.93 119.55 2sqc h MET 561 Ca 0.29 -0.21 -0.00 0.00 -2.06 0.00 0.00 59.70 57.71 2sqc h MET 561 Cb 0.21 -0.13 -0.01 0.00 0.06 0.00 0.00 31.60 31.73 2sqc h MET 561 CO -0.20 0.85 0.16 0.00 1.06 0.00 0.00 176.91 178.78 2sqc h ALA 562 N 1.24 0.33 -0.65 6.32 0.00 -0.35 -0.80 119.26 125.36 2sqc h ALA 562 Ca 0.19 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 55.01 2sqc h ALA 562 Cb 0.33 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 2sqc h ALA 562 CO 0.00 -0.16 0.21 -0.07 0.00 0.00 0.00 179.25 179.23 2sqc h LEU 563 N 0.33 0.95 -0.22 0.00 3.38 -0.52 -1.12 115.31 118.10 2sqc h LEU 563 Ca 0.09 -0.21 -0.04 0.00 0.09 0.00 0.00 57.88 57.82 2sqc h LEU 563 Cb 0.02 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.52 2sqc h LEU 563 CO -0.02 0.90 -0.01 0.40 0.09 0.00 0.00 178.44 179.80 2sqc h ILE 564 N 0.94 1.26 -0.40 1.22 2.04 -0.73 0.36 117.51 122.20 2sqc h ILE 564 Ca 0.21 -0.92 -0.01 0.00 1.00 0.00 0.00 64.86 65.14 2sqc h ILE 564 Cb 0.29 1.42 -0.02 0.00 -0.74 0.00 0.00 36.82 37.78 2sqc h ILE 564 CO -0.01 0.28 0.22 0.00 0.00 0.00 0.00 178.15 178.64 2sqc h ALA 565 N 0.79 1.63 -0.07 1.87 0.00 -0.96 -2.39 119.26 120.13 2sqc h ALA 565 Ca 0.06 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2sqc h ALA 565 Cb 0.43 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.05 2sqc h ALA 565 CO 0.01 0.31 0.00 0.41 0.00 0.00 0.00 179.25 179.98 2sqc n GLY 566 N -1.35 -0.58 1.61 0.00 0.00 -0.44 -4.83 105.19 99.60 2sqc n GLY 566 Ca 0.03 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 45.87 2sqc n GLY 566 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2sqc n GLY 567 N 0.82 0.55 1.65 -0.02 0.00 -0.90 -4.90 105.19 102.38 2sqc n GLY 567 Ca 0.11 -0.47 -0.16 0.00 0.00 0.00 0.00 46.02 45.51 2sqc n GLY 567 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2sqc n ARG 568 N -2.80 2.33 -0.33 1.61 1.74 0.12 -4.64 116.66 114.69 2sqc n ARG 568 Ca 0.00 -3.36 -0.02 0.00 -0.77 0.00 0.00 57.85 53.70 2sqc n ARG 568 Cb 0.00 -2.02 0.14 0.00 -1.02 0.00 0.00 32.46 29.56 2sqc n ARG 568 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2sqc h ALA 569 N 1.37 1.30 -1.27 7.54 0.00 -1.80 -3.15 119.26 123.25 2sqc h ALA 569 Ca 0.37 -0.08 -0.77 0.00 0.00 0.00 0.00 54.91 54.43 2sqc h ALA 569 Cb 1.67 -0.38 -0.19 0.00 0.00 0.00 0.00 17.79 18.89 2sqc h ALA 569 CO 0.75 0.63 1.63 0.39 0.00 0.00 0.00 179.25 182.64 2sqc n GLU 570 N -4.38 3.79 -4.00 0.00 -0.58 -1.26 -4.46 120.64 109.75 2sqc n GLU 570 Ca 0.11 -3.82 -0.08 0.00 -0.42 0.00 0.00 57.16 52.94 2sqc n GLU 570 Cb 0.03 -2.83 -0.10 0.00 -0.57 0.00 0.00 31.44 27.97 2sqc n GLU 570 CO 0.00 0.00 0.00 -1.54 -0.48 0.00 0.00 177.13 175.11 2sqc s SER 571 N 0.50 0.31 0.26 1.62 1.04 -1.19 -5.05 113.70 111.19 2sqc s SER 571 Ca 0.38 -0.72 -0.04 0.00 0.48 0.00 0.00 55.95 56.05 2sqc s SER 571 Cb 0.07 0.20 0.32 0.00 0.10 0.00 0.00 66.02 66.70 2sqc s SER 571 CO 0.02 -0.52 1.90 -0.08 0.98 0.00 0.00 173.24 175.54 2sqc h GLU 572 N 3.60 1.16 -0.12 4.02 4.57 -1.92 -1.55 114.58 124.35 2sqc h GLU 572 Ca -0.33 -0.12 0.01 0.00 -1.18 0.00 0.00 59.36 57.74 2sqc h GLU 572 Cb 1.17 -0.24 -0.01 0.00 -0.16 0.00 0.00 28.75 29.51 2sqc h GLU 572 CO 0.55 0.83 0.03 0.00 -1.18 0.00 0.00 179.01 179.25 2sqc h ALA 573 N 1.36 0.13 -0.52 2.92 0.00 -1.96 -0.13 119.26 121.06 2sqc h ALA 573 Ca 0.30 0.02 -0.10 0.00 0.00 0.00 0.00 54.91 55.12 2sqc h ALA 573 Cb -0.01 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 2sqc h ALA 573 CO -0.05 -0.42 -0.09 0.00 0.00 0.00 0.00 179.25 178.69 2sqc h ALA 574 N 1.08 0.71 -0.86 0.00 0.00 -1.76 -1.13 119.26 117.30 2sqc h ALA 574 Ca 0.05 -0.34 0.04 0.00 0.00 0.00 0.00 54.91 54.67 2sqc h ALA 574 Cb 0.03 -0.19 -0.05 0.00 0.00 0.00 0.00 17.79 17.58 2sqc h ALA 574 CO -0.06 0.60 0.55 0.00 0.00 0.00 0.00 179.25 180.33 2sqc h ARG 575 N 0.83 1.01 -0.28 0.00 3.08 -0.97 -0.05 114.38 118.01 2sqc h ARG 575 Ca 0.14 -0.06 -0.15 0.00 0.07 0.00 0.00 59.98 59.97 2sqc h ARG 575 Cb 0.64 -0.23 -0.01 0.00 0.08 0.00 0.00 29.97 30.46 2sqc h ARG 575 CO 0.04 0.67 -0.43 0.00 -1.07 0.00 0.00 179.97 179.18 2sqc h ARG 576 N 1.04 0.70 -0.65 0.04 3.08 -0.76 -1.10 114.38 116.73 2sqc h ARG 576 Ca 0.35 -0.38 -0.04 0.00 0.07 0.00 0.00 59.98 59.98 2sqc h ARG 576 Cb 0.05 0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.09 2sqc h ARG 576 CO -0.13 0.99 0.25 0.78 -1.07 0.00 0.00 179.97 180.80 2sqc h GLY 577 N 0.95 1.05 1.02 0.04 0.00 -0.72 0.82 103.07 106.23 2sqc h GLY 577 Ca 0.04 -0.58 -0.07 0.00 0.00 0.00 0.00 47.33 46.72 2sqc h GLY 577 CO 0.09 0.55 0.10 -2.08 0.00 0.00 0.00 176.54 175.20 2sqc h VAL 578 N 0.92 1.25 -0.41 4.60 2.07 -0.93 -1.66 116.25 122.11 2sqc h VAL 578 Ca 0.22 -0.96 -0.03 0.00 0.82 0.00 0.00 66.70 66.74 2sqc h VAL 578 Cb 0.22 0.78 -0.02 0.00 -1.52 0.00 0.00 31.29 30.76 2sqc h VAL 578 CO -0.02 0.35 0.12 -0.61 0.02 0.00 0.00 177.57 177.44 2sqc h GLN 579 N 0.83 0.64 -0.61 1.57 5.75 -0.79 -0.06 115.11 122.44 2sqc h GLN 579 Ca 0.17 -0.14 0.11 0.00 -0.15 0.00 0.00 58.65 58.64 2sqc h GLN 579 Cb 0.40 -0.09 -0.09 0.00 1.07 0.00 0.00 27.48 28.78 2sqc h GLN 579 CO 0.01 0.64 0.13 -0.92 -2.65 0.00 0.00 178.83 176.04 2sqc h TYR 580 N 0.52 0.21 -0.60 3.99 3.20 -0.60 0.17 116.97 123.87 2sqc h TYR 580 Ca 0.13 0.04 -0.06 0.00 3.14 0.00 0.00 58.73 61.98 2sqc h TYR 580 Cb 0.27 -0.00 -0.02 0.00 1.54 0.00 0.00 36.73 38.52 2sqc h TYR 580 CO 0.01 -0.03 0.15 -0.07 -1.64 0.00 0.00 178.16 176.58 2sqc h LEU 581 N 0.26 0.90 -0.02 2.82 3.38 -0.52 -0.77 115.31 121.37 2sqc h LEU 581 Ca 0.32 -0.23 0.01 0.00 0.09 0.00 0.00 57.88 58.07 2sqc h LEU 581 Cb 0.47 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.97 2sqc h LEU 581 CO -0.40 0.90 -0.06 0.58 0.09 0.00 0.00 178.44 179.54 2sqc h VAL 582 N 0.86 0.83 0.00 1.22 2.07 -0.09 -2.26 116.25 118.89 2sqc h VAL 582 Ca 0.19 0.00 -0.08 0.00 0.82 0.00 0.00 66.70 67.63 2sqc h VAL 582 Cb 0.34 0.83 -0.01 0.00 -1.52 0.00 0.00 31.29 30.93 2sqc h VAL 582 CO 0.00 0.00 -0.37 -0.33 0.02 0.00 0.00 177.57 176.89 2sqc h GLU 583 N -0.11 0.00 -0.01 1.57 5.08 -0.53 -3.18 114.58 117.41 2sqc h GLU 583 Ca 0.03 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 2sqc h GLU 583 Cb 0.15 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.40 2sqc h GLU 583 CO -0.08 0.37 -0.52 0.25 -1.00 0.00 0.00 179.01 178.04 2sqc n THR 584 N -3.71 0.00 -1.76 1.13 -2.24 -0.31 -4.96 114.28 102.43 2sqc n THR 584 Ca -0.01 -0.16 -0.41 0.00 -2.27 0.00 0.00 64.05 61.19 2sqc n THR 584 Cb 0.46 0.93 -0.01 0.00 -2.10 0.00 0.00 70.33 69.62 2sqc n THR 584 CO 0.00 0.00 0.00 1.67 -0.57 0.00 0.00 175.07 176.17 2sqc n GLN 585 N -0.53 2.66 -1.67 -0.78 7.27 -0.87 -4.68 117.38 118.77 2sqc n GLN 585 Ca 0.09 0.94 -0.30 0.00 0.07 0.00 0.00 57.00 57.80 2sqc n GLN 585 Cb 0.41 -2.68 0.08 0.00 2.41 0.00 0.00 30.24 30.45 2sqc n GLN 585 CO 0.00 0.00 0.00 1.03 0.07 0.00 0.00 177.06 178.16 2sqc s ARG 586 N -1.45 2.31 0.38 3.69 0.52 0.47 -4.93 118.95 119.94 2sqc s ARG 586 Ca 0.58 0.55 0.09 0.00 -0.52 0.00 0.00 55.73 56.43 2sqc s ARG 586 Cb -0.49 -1.95 0.83 0.00 0.52 0.00 0.00 34.95 33.86 2sqc s ARG 586 CO 0.58 -1.44 1.94 -1.35 0.02 0.00 0.00 175.30 175.05 2sqc h PRO 587 N -0.95 0.63 0.00 3.54 0.11 -1.94 -0.06 132.00 133.34 2sqc h PRO 587 Ca -0.46 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.61 2sqc h PRO 587 Cb 1.27 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.23 2sqc h PRO 587 CO 0.61 0.42 0.00 -0.40 -0.21 0.00 0.00 178.00 178.42 2sqc n ASP 588 N -4.49 0.00 0.00 -2.05 5.68 -1.26 -4.86 116.55 109.56 2sqc n ASP 588 Ca 0.12 -0.46 0.00 0.00 -0.50 0.00 0.00 54.79 53.95 2sqc n ASP 588 Cb 0.32 -0.14 0.00 0.00 -1.14 0.00 0.00 41.12 40.17 2sqc n ASP 588 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2sqc n GLY 589 N 0.74 0.06 2.70 6.12 0.00 -0.04 -4.52 105.19 110.25 2sqc n GLY 589 Ca 0.16 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.04 2sqc n GLY 589 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2sqc n GLY 590 N -1.97 1.77 3.26 -0.02 0.00 -1.26 -3.90 105.19 103.07 2sqc n GLY 590 Ca 0.00 -2.17 -0.19 0.00 0.00 0.00 0.00 46.02 43.65 2sqc n GLY 590 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2sqc s TRP 591 N -1.57 1.51 0.46 1.61 0.51 -1.26 -0.40 118.94 119.81 2sqc s TRP 591 Ca 0.43 -0.51 -0.08 0.00 -2.12 0.00 0.00 56.10 53.82 2sqc s TRP 591 Cb -0.03 -0.79 -0.05 0.00 -0.81 0.00 0.00 33.47 31.79 2sqc s TRP 591 CO 0.27 0.18 0.81 -0.51 -0.51 0.00 0.00 176.95 177.18 2sqc s ASP 592 N -2.34 6.37 -0.43 2.95 1.01 -1.26 -4.71 116.67 118.26 2sqc s ASP 592 Ca 0.08 1.07 0.08 0.00 0.71 0.00 0.00 52.55 54.49 2sqc s ASP 592 Cb -0.06 -2.30 0.18 0.00 1.01 0.00 0.00 42.92 41.75 2sqc s ASP 592 CO 0.04 -0.54 0.65 -0.70 0.21 0.00 0.00 175.17 174.84 2sqc s GLU 593 N -4.42 0.85 0.00 8.23 2.12 -1.26 -4.56 118.70 119.66 2sqc s GLU 593 Ca 0.50 -0.39 0.20 0.00 0.36 0.00 0.00 54.97 55.63 2sqc s GLU 593 Cb -0.10 0.07 1.13 0.00 0.26 0.00 0.00 34.13 35.49 2sqc s GLU 593 CO 0.40 -1.20 1.74 -0.35 -0.54 0.00 0.00 175.26 175.31 2sqc n PRO 594 N 4.16 1.08 -4.32 4.30 -0.04 -1.26 -4.81 135.00 134.10 2sqc n PRO 594 Ca 0.12 -0.13 -0.30 0.00 -0.04 0.00 0.00 63.50 63.15 2sqc n PRO 594 Cb 0.57 -1.32 -0.10 0.00 -0.04 0.00 0.00 33.50 32.61 2sqc n PRO 594 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 2sqc s TYR 595 N -1.98 2.79 0.24 0.54 2.02 -1.26 -4.71 117.35 114.99 2sqc s TYR 595 Ca 0.30 -0.12 -0.29 0.00 -0.37 0.00 0.00 57.07 56.59 2sqc s TYR 595 Cb 0.14 -1.49 -0.09 0.00 -0.40 0.00 0.00 41.96 40.12 2sqc s TYR 595 CO 0.23 0.40 0.91 0.71 -1.57 0.00 0.00 175.55 176.23 2sqc s TYR 596 N -1.14 3.93 -0.03 2.71 2.02 -1.26 -4.94 117.35 118.65 2sqc s TYR 596 Ca 0.20 1.85 0.04 0.00 -0.37 0.00 0.00 57.07 58.79 2sqc s TYR 596 Cb -0.11 -2.93 0.06 0.00 -0.40 0.00 0.00 41.96 38.58 2sqc s TYR 596 CO 0.12 0.43 0.92 0.25 -1.57 0.00 0.00 175.55 175.70 2sqc n THR 597 N 1.37 0.87 -4.25 -0.71 -2.24 -1.21 -4.76 114.28 103.34 2sqc n THR 597 Ca -0.02 -0.94 -0.28 0.00 -2.27 0.00 0.00 64.05 60.53 2sqc n THR 597 Cb 0.48 0.46 -0.09 0.00 -2.10 0.00 0.00 70.33 69.07 2sqc n THR 597 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2sqc s GLY 598 N -1.17 1.75 -0.10 3.38 0.00 0.11 -0.18 107.32 111.11 2sqc s GLY 598 Ca 0.07 -1.36 0.02 0.00 0.00 0.00 0.00 44.72 43.44 2sqc s GLY 598 CO 0.01 -1.36 -0.16 -1.59 0.00 0.00 0.00 173.10 170.00 2sqc s THR 599 N -1.48 1.51 -0.22 0.90 2.01 -0.61 -1.34 115.64 116.41 2sqc s THR 599 Ca 0.23 -0.66 -0.18 0.00 0.31 0.00 0.00 61.69 61.40 2sqc s THR 599 Cb -0.10 -1.37 -0.15 0.00 0.01 0.00 0.00 72.50 70.90 2sqc s THR 599 CO 0.15 0.44 0.00 0.61 -0.69 0.00 0.00 174.62 175.13 2sqc n GLY 600 N 4.10 -0.75 2.71 4.40 0.00 0.75 -4.42 105.19 111.96 2sqc n GLY 600 Ca -0.20 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.62 2sqc n GLY 600 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2sqc s PHE 601 N -2.41 0.30 0.10 1.61 0.08 -0.26 -4.94 117.98 112.46 2sqc s PHE 601 Ca -0.29 0.09 -0.36 0.00 0.12 0.00 0.00 56.93 56.48 2sqc s PHE 601 Cb 0.07 -0.61 -0.17 0.00 -0.57 0.00 0.00 43.02 41.75 2sqc s PHE 601 CO 0.51 -0.25 1.32 -2.30 -0.10 0.00 0.00 175.22 174.40 2sqc n PRO 602 N 5.24 1.17 0.00 0.24 -0.02 -1.26 -1.26 135.00 139.11 2sqc n PRO 602 Ca -0.05 0.42 0.00 0.00 -2.02 0.00 0.00 63.50 61.85 2sqc n PRO 602 Cb 0.50 -2.05 0.00 0.00 -0.02 0.00 0.00 33.50 31.93 2sqc n PRO 602 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2sqc n GLY 603 N 2.47 2.36 0.00 -1.23 0.00 -1.26 -4.72 105.19 102.81 2sqc n GLY 603 Ca 0.18 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.19 2sqc n GLY 603 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2sqc n ASP 604 N 1.05 4.63 -3.57 1.61 8.00 -0.39 -5.04 116.55 122.85 2sqc n ASP 604 Ca 0.00 0.00 -0.09 0.00 0.71 0.00 0.00 54.79 55.41 2sqc n ASP 604 Cb 0.00 0.92 -0.09 0.00 -0.02 0.00 0.00 41.12 41.93 2sqc n ASP 604 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 2sqc s PHE 605 N -2.09 -0.79 0.22 1.24 5.36 -0.46 -4.94 117.98 116.52 2sqc s PHE 605 Ca -0.01 1.32 0.11 0.00 -0.96 0.00 0.00 56.93 57.39 2sqc s PHE 605 Cb 0.01 0.22 -0.04 0.00 -0.34 0.00 0.00 43.02 42.86 2sqc s PHE 605 CO 0.07 -0.54 -0.18 0.71 -1.46 0.00 0.00 175.22 173.81 2sqc s TYR 606 N 2.59 2.40 0.00 10.12 2.02 -1.26 -0.18 117.35 133.04 2sqc s TYR 606 Ca 0.02 -0.31 0.03 0.00 -0.37 0.00 0.00 57.07 56.45 2sqc s TYR 606 Cb -0.13 -1.14 -0.01 0.00 -0.40 0.00 0.00 41.96 40.28 2sqc s TYR 606 CO -0.13 0.56 -0.10 -0.51 -1.57 0.00 0.00 175.55 173.80 2sqc s LEU 607 N -2.98 2.05 -0.43 -1.29 1.43 -0.45 -4.45 118.68 112.57 2sqc s LEU 607 Ca 0.25 -0.24 -0.07 0.00 -1.03 0.00 0.00 54.13 53.04 2sqc s LEU 607 Cb -0.07 -0.51 0.10 0.00 0.03 0.00 0.00 46.19 45.74 2sqc s LEU 607 CO 0.13 0.09 0.25 -0.83 0.23 0.00 0.00 176.35 176.23 2sqc s GLY 608 N -0.44 1.98 -0.68 -3.19 0.00 0.05 -0.71 107.32 104.33 2sqc s GLY 608 Ca 0.03 -2.37 -0.26 0.00 0.00 0.00 0.00 44.72 42.11 2sqc s GLY 608 CO -0.00 1.02 1.19 -0.19 0.00 0.00 0.00 173.10 175.11 2sqc s TYR 609 N 1.31 2.45 -0.26 1.90 1.51 -1.26 -0.88 117.35 122.11 2sqc s TYR 609 Ca 0.05 -0.01 0.25 0.00 -1.01 0.00 0.00 57.07 56.36 2sqc s TYR 609 Cb -0.24 -4.51 1.17 0.00 -0.11 0.00 0.00 41.96 38.27 2sqc s TYR 609 CO -0.01 -1.85 1.77 1.79 -1.11 0.00 0.00 175.55 176.14 2sqc h THR 610 N 6.05 0.00 0.00 -0.71 1.35 -1.82 -1.83 112.91 115.95 2sqc h THR 610 Ca -0.27 -0.18 0.00 0.00 -0.55 0.00 0.00 66.41 65.40 2sqc h THR 610 Cb 1.06 0.89 0.00 0.00 -1.73 0.00 0.00 68.15 68.36 2sqc h THR 610 CO 1.23 0.00 -0.42 0.24 -0.25 0.00 0.00 175.52 176.32 2sqc h MET 611 N 0.00 0.00 -0.95 4.72 2.86 -1.89 -3.37 114.93 116.30 2sqc h MET 611 Ca 0.00 0.00 0.09 0.00 -2.06 0.00 0.00 59.70 57.73 2sqc h MET 611 Cb 0.25 0.00 -0.07 0.00 0.06 0.00 0.00 31.60 31.85 2sqc h MET 611 CO 0.00 0.00 0.61 1.88 1.06 0.00 0.00 176.91 180.46 2sqc h TYR 612 N 0.00 1.08 0.00 -0.22 -1.99 -1.75 -0.08 116.97 114.01 2sqc h TYR 612 Ca 0.00 0.03 -0.00 0.00 2.00 0.00 0.00 58.73 60.76 2sqc h TYR 612 Cb 0.90 -0.35 -0.00 0.00 2.00 0.00 0.00 36.73 39.28 2sqc h TYR 612 CO 0.00 0.51 -0.01 0.07 -0.00 0.00 0.00 178.16 178.73 2sqc h ARG 613 N 1.01 0.00 0.00 4.88 0.11 -1.77 -1.54 114.38 117.08 2sqc h ARG 613 Ca 0.43 0.00 -0.30 0.00 0.10 0.00 0.00 59.98 60.22 2sqc h ARG 613 Cb 0.33 0.00 -0.05 0.00 1.11 0.00 0.00 29.97 31.36 2sqc h ARG 613 CO -0.19 0.01 -2.06 0.72 0.10 0.00 0.00 179.97 178.55 2sqc n HIS 614 N -3.27 0.00 0.04 4.08 8.25 -0.46 -4.06 115.22 119.80 2sqc n HIS 614 Ca -0.02 0.00 -0.08 0.00 -0.26 0.00 0.00 57.72 57.36 2sqc n HIS 614 Cb 0.13 -0.70 0.08 0.00 1.12 0.00 0.00 29.99 30.61 2sqc n HIS 614 CO 0.00 0.00 0.00 -0.24 0.64 0.00 0.00 176.34 176.74 2sqc h VAL 615 N -0.31 1.35 -0.15 1.59 3.04 -1.01 -2.69 116.25 118.08 2sqc h VAL 615 Ca -0.45 -1.89 -0.13 0.00 -1.01 0.00 0.00 66.70 63.23 2sqc h VAL 615 Cb 1.55 1.89 0.00 0.00 -2.01 0.00 0.00 31.29 32.72 2sqc h VAL 615 CO -0.17 0.58 -0.40 -0.26 -1.01 0.00 0.00 177.57 176.31 2sqc h PHE 616 N 0.32 0.68 -0.86 3.17 0.04 -1.49 -0.65 116.94 118.15 2sqc h PHE 616 Ca -0.00 -0.27 -0.01 0.00 2.80 0.00 0.00 57.97 60.49 2sqc h PHE 616 Cb 1.12 -0.12 -0.04 0.00 2.20 0.00 0.00 35.95 39.11 2sqc h PHE 616 CO 0.04 1.02 0.49 -1.35 -0.60 0.00 0.00 178.31 177.91 2sqc h PRO 617 N 0.15 1.18 -0.51 1.51 0.11 -1.75 0.11 132.00 132.80 2sqc h PRO 617 Ca -0.01 -0.12 -0.00 0.00 0.11 0.00 0.00 66.00 65.98 2sqc h PRO 617 Cb 1.01 -0.24 -0.02 0.00 0.11 0.00 0.00 31.00 31.86 2sqc h PRO 617 CO 0.09 0.85 0.32 1.15 -0.21 0.00 0.00 178.00 180.19 2sqc h THR 618 N 1.19 1.15 -0.03 -1.15 2.02 -1.36 0.79 112.91 115.51 2sqc h THR 618 Ca 0.30 -0.33 -0.00 0.00 0.77 0.00 0.00 66.41 67.16 2sqc h THR 618 Cb -0.01 0.45 -0.00 0.00 -1.74 0.00 0.00 68.15 66.84 2sqc h THR 618 CO -0.05 0.15 0.01 0.25 0.37 0.00 0.00 175.52 176.25 2sqc h LEU 619 N 0.69 0.04 -0.59 2.58 5.85 -0.52 -1.19 115.31 122.17 2sqc h LEU 619 Ca 0.18 -0.15 -0.01 0.00 0.84 0.00 0.00 57.88 58.74 2sqc h LEU 619 Cb -0.03 -0.01 -0.03 0.00 0.37 0.00 0.00 40.66 40.96 2sqc h LEU 619 CO -0.04 0.18 0.33 0.00 -0.34 0.00 0.00 178.44 178.58 2sqc h ALA 620 N 0.86 0.75 -0.55 1.25 0.00 -0.62 -0.61 119.26 120.33 2sqc h ALA 620 Ca 0.01 -0.10 -0.07 0.00 0.00 0.00 0.00 54.91 54.75 2sqc h ALA 620 Cb 0.16 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 2sqc h ALA 620 CO -0.00 0.26 0.06 -0.07 0.00 0.00 0.00 179.25 179.50 2sqc h LEU 621 N 0.79 0.86 -0.61 0.00 3.38 -0.78 0.81 115.31 119.76 2sqc h LEU 621 Ca 0.21 -0.20 -0.05 0.00 0.09 0.00 0.00 57.88 57.93 2sqc h LEU 621 Cb 0.03 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.53 2sqc h LEU 621 CO -0.03 0.89 0.18 1.23 0.09 0.00 0.00 178.44 180.79 2sqc h GLY 622 N 1.00 1.03 1.24 0.83 0.00 -0.90 0.48 103.07 106.76 2sqc h GLY 622 Ca 0.17 -0.62 -0.10 0.00 0.00 0.00 0.00 47.33 46.78 2sqc h GLY 622 CO 0.01 0.58 -0.08 3.21 0.00 0.00 0.00 176.54 180.27 2sqc h ARG 623 N 0.88 0.90 0.29 4.80 3.08 -0.75 -1.43 114.38 122.14 2sqc h ARG 623 Ca 0.20 -0.30 -0.01 0.00 0.07 0.00 0.00 59.98 59.94 2sqc h ARG 623 Cb 0.31 -0.07 -0.00 0.00 0.08 0.00 0.00 29.97 30.28 2sqc h ARG 623 CO -0.00 0.94 -0.18 -0.92 -1.07 0.00 0.00 179.97 178.74 2sqc h TYR 624 N 0.81 -0.47 -0.54 3.04 3.20 -0.58 -0.67 116.97 121.77 2sqc h TYR 624 Ca 0.14 -0.01 0.08 0.00 3.14 0.00 0.00 58.73 62.09 2sqc h TYR 624 Cb 0.59 0.17 -0.07 0.00 1.54 0.00 0.00 36.73 38.96 2sqc h TYR 624 CO 0.04 -0.28 0.16 -0.22 -1.64 0.00 0.00 178.16 176.22 2sqc h LYS 625 N -0.45 0.31 -0.77 1.82 3.64 -0.72 -0.11 116.57 120.29 2sqc h LYS 625 Ca -0.03 -0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.31 2sqc h LYS 625 Cb 0.37 -0.07 -0.04 0.00 -0.41 0.00 0.00 32.23 32.09 2sqc h LYS 625 CO 0.03 0.21 0.38 1.96 -2.27 0.00 0.00 179.45 179.76 2sqc h GLN 626 N 0.32 1.09 -0.41 1.90 4.20 -1.07 0.79 115.11 121.93 2sqc h GLN 626 Ca 0.27 -0.15 -0.14 0.00 0.06 0.00 0.00 58.65 58.69 2sqc h GLN 626 Cb 0.34 -0.20 -0.01 0.00 0.30 0.00 0.00 27.48 27.90 2sqc h GLN 626 CO -0.30 0.83 -0.29 0.00 -0.67 0.00 0.00 178.83 178.40 2sqc h ALA 627 N 1.33 0.59 -0.32 3.87 0.00 -0.05 -2.13 119.26 122.54 2sqc h ALA 627 Ca 0.27 -0.42 -0.14 0.00 0.00 0.00 0.00 54.91 54.62 2sqc h ALA 627 Cb 0.09 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 2sqc h ALA 627 CO -0.04 0.62 -0.36 0.82 0.00 0.00 0.00 179.25 180.30 2sqc h ILE 628 N 0.74 1.28 -0.22 0.00 1.08 -0.75 -3.12 117.51 116.53 2sqc h ILE 628 Ca 0.08 -1.52 -0.16 0.00 -0.39 0.00 0.00 64.86 62.87 2sqc h ILE 628 Cb 0.87 1.42 -0.01 0.00 -3.07 0.00 0.00 36.82 36.04 2sqc h ILE 628 CO 0.08 0.50 -0.53 -0.33 -0.69 0.00 0.00 178.15 177.18 2sqc h GLU 629 N 0.62 0.63 -0.01 2.37 5.08 -0.83 -3.51 114.58 118.93 2sqc h GLU 629 Ca 0.06 -0.39 0.00 0.00 -1.00 0.00 0.00 59.36 58.03 2sqc h GLU 629 Cb 0.90 0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.19 2sqc h GLU 629 CO 0.08 1.00 0.00 -2.13 -1.00 0.00 0.00 179.01 176.96