#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3sqc n TYR 11 N 0.00 0.88 -0.11 0.00 0.18 -1.26 -3.89 117.16 112.96 3sqc n TYR 11 Ca 0.00 0.34 -0.06 0.00 1.88 0.00 0.00 57.90 60.05 3sqc n TYR 11 Cb 0.00 -1.04 -0.00 0.00 -0.38 0.00 0.00 39.34 37.92 3sqc n TYR 11 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 3sqc h ALA 12 N 2.28 -0.04 -0.15 -3.48 0.00 -2.00 0.14 119.26 116.00 3sqc h ALA 12 Ca 0.00 0.12 -0.08 0.00 0.00 0.00 0.00 54.91 54.95 3sqc h ALA 12 Cb 0.42 0.59 -0.01 0.00 0.00 0.00 0.00 17.79 18.78 3sqc h ALA 12 CO 0.00 -0.64 -0.27 -0.09 0.00 0.00 0.00 179.25 178.24 3sqc h ARG 13 N -0.20 0.28 -0.14 0.00 2.43 -2.00 -1.84 114.38 112.91 3sqc h ARG 13 Ca 0.18 -0.10 -0.00 0.00 -0.81 0.00 0.00 59.98 59.26 3sqc h ARG 13 Cb 0.49 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.01 3sqc h ARG 13 CO -0.51 0.54 0.08 1.15 -1.51 0.00 0.00 179.97 179.72 3sqc h THR 14 N 0.25 1.07 -0.29 0.20 2.02 -1.39 -1.21 112.91 113.56 3sqc h THR 14 Ca 0.04 -0.19 0.01 0.00 0.77 0.00 0.00 66.41 67.04 3sqc h THR 14 Cb 0.62 0.95 -0.02 0.00 -1.74 0.00 0.00 68.15 67.96 3sqc h THR 14 CO 0.04 0.07 0.18 0.25 0.37 0.00 0.00 175.52 176.43 3sqc h LEU 15 N 0.15 0.30 -0.37 2.58 6.46 -0.47 -0.82 115.31 123.15 3sqc h LEU 15 Ca 0.05 -0.00 0.05 0.00 -0.12 0.00 0.00 57.88 57.86 3sqc h LEU 15 Cb 0.04 -0.07 -0.05 0.00 -0.73 0.00 0.00 40.66 39.85 3sqc h LEU 15 CO -0.01 0.22 0.09 0.44 -0.62 0.00 0.00 178.44 178.56 3sqc h ASP 16 N 0.37 0.04 -0.46 1.25 3.32 -1.06 0.24 116.42 120.12 3sqc h ASP 16 Ca 0.11 0.06 -0.04 0.00 0.02 0.00 0.00 57.03 57.18 3sqc h ASP 16 Cb -0.02 0.07 -0.02 0.00 0.22 0.00 0.00 39.33 39.58 3sqc h ASP 16 CO -0.04 0.06 0.14 0.03 -1.72 0.00 0.00 179.24 177.71 3sqc h ARG 17 N 0.22 0.77 -0.08 3.56 3.08 -0.98 -0.00 114.38 120.95 3sqc h ARG 17 Ca 0.17 -0.14 -0.02 0.00 0.07 0.00 0.00 59.98 60.06 3sqc h ARG 17 Cb 0.19 -0.12 -0.00 0.00 0.08 0.00 0.00 29.97 30.11 3sqc h ARG 17 CO -0.22 0.69 -0.02 0.00 -1.07 0.00 0.00 179.97 179.35 3sqc h ALA 18 N 1.41 0.11 0.04 0.04 0.00 -0.27 -2.22 119.26 118.38 3sqc h ALA 18 Ca 0.17 -0.22 0.01 0.00 0.00 0.00 0.00 54.91 54.87 3sqc h ALA 18 Cb 0.25 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 3sqc h ALA 18 CO -0.01 -0.16 -0.08 0.28 0.00 0.00 0.00 179.25 179.28 3sqc h VAL 19 N -0.18 0.80 0.00 0.00 2.07 -0.25 -1.31 116.25 117.38 3sqc h VAL 19 Ca 0.02 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.52 3sqc h VAL 19 Cb 0.43 0.80 -0.00 0.00 -1.52 0.00 0.00 31.29 31.00 3sqc h VAL 19 CO 0.01 0.00 -0.11 1.05 0.02 0.00 0.00 177.57 178.54 3sqc h GLU 20 N -0.17 0.00 -0.22 1.57 4.11 -1.03 -2.19 114.58 116.65 3sqc h GLU 20 Ca 0.02 0.00 -0.14 0.00 0.07 0.00 0.00 59.36 59.30 3sqc h GLU 20 Cb 0.18 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.43 3sqc h GLU 20 CO -0.05 0.11 -0.42 -0.92 0.07 0.00 0.00 179.01 177.80 3sqc h TYR 21 N 0.00 0.85 -0.99 2.06 3.20 -0.74 -2.86 116.97 118.50 3sqc h TYR 21 Ca -0.00 -0.30 0.01 0.00 3.14 0.00 0.00 58.73 61.57 3sqc h TYR 21 Cb 0.22 -0.16 -0.05 0.00 1.54 0.00 0.00 36.73 38.28 3sqc h TYR 21 CO 0.00 1.08 0.65 -0.07 -1.64 0.00 0.00 178.16 178.17 3sqc h LEU 22 N 0.39 1.14 -1.32 2.82 3.38 -0.64 -2.18 115.31 118.89 3sqc h LEU 22 Ca 0.01 -0.04 -0.05 0.00 0.09 0.00 0.00 57.88 57.90 3sqc h LEU 22 Cb 1.02 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 41.48 3sqc h LEU 22 CO 0.09 0.83 -0.24 -0.07 0.09 0.00 0.00 178.44 179.14 3sqc h LEU 23 N 1.34 0.00 -0.39 1.67 3.38 -1.46 -2.46 115.31 117.39 3sqc h LEU 23 Ca 0.36 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 58.23 3sqc h LEU 23 Cb -0.14 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.59 3sqc h LEU 23 CO -0.08 0.24 -0.48 0.77 0.09 0.00 0.00 178.44 178.98 3sqc h SER 24 N 0.00 0.00 1.42 -0.43 4.64 -1.16 -3.18 113.55 114.84 3sqc h SER 24 Ca -0.00 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.22 3sqc h SER 24 Cb 0.65 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.73 3sqc h SER 24 CO 0.03 0.48 -0.48 0.00 -0.87 0.00 0.00 176.83 175.99 3sqc n GLN 26 N -3.26 2.15 -2.29 0.00 7.27 -1.14 -4.78 117.38 115.33 3sqc n GLN 26 Ca 0.02 0.77 -0.27 0.00 0.07 0.00 0.00 57.00 57.58 3sqc n GLN 26 Cb 0.71 -2.62 0.03 0.00 2.41 0.00 0.00 30.24 30.77 3sqc n GLN 26 CO 0.00 0.00 0.00 0.15 0.07 0.00 0.00 177.06 177.28 3sqc s LYS 27 N -2.52 2.90 0.26 3.69 3.01 -0.75 -4.99 119.74 121.35 3sqc s LYS 27 Ca 0.63 0.09 -0.04 0.00 -1.01 0.00 0.00 55.97 55.63 3sqc s LYS 27 Cb -0.44 -2.22 0.31 0.00 -1.01 0.00 0.00 37.83 34.47 3sqc s LYS 27 CO 0.56 -0.77 1.89 -0.44 0.51 0.00 0.00 175.35 177.10 3sqc h ASP 28 N -0.27 1.02 0.20 2.83 5.19 -1.95 -2.14 116.42 121.30 3sqc h ASP 28 Ca -0.45 -0.08 -0.00 0.00 -0.62 0.00 0.00 57.03 55.87 3sqc h ASP 28 Cb 1.26 -0.26 -0.00 0.00 0.18 0.00 0.00 39.33 40.51 3sqc h ASP 28 CO 0.61 0.82 -0.02 -0.33 -3.12 0.00 0.00 179.24 177.20 3sqc h GLU 29 N 1.16 0.00 0.00 3.56 3.07 -1.99 -3.46 114.58 116.92 3sqc h GLU 29 Ca 0.29 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.15 3sqc h GLU 29 Cb 0.01 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.92 3sqc h GLU 29 CO -0.05 0.02 0.00 0.41 -1.40 0.00 0.00 179.01 177.99 3sqc n GLY 30 N -0.90 0.96 3.90 -3.84 0.00 -0.81 -4.75 105.19 99.75 3sqc n GLY 30 Ca -0.02 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.80 3sqc n GLY 30 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3sqc s TYR 31 N -2.00 2.85 0.10 1.61 -0.85 -1.26 -3.61 117.35 114.19 3sqc s TYR 31 Ca 0.00 -0.37 0.07 0.00 -0.52 0.00 0.00 57.07 56.25 3sqc s TYR 31 Cb 0.00 -2.04 -0.04 0.00 0.38 0.00 0.00 41.96 40.26 3sqc s TYR 31 CO 0.00 -0.04 -0.13 -1.58 -1.52 0.00 0.00 175.55 172.29 3sqc s TRP 32 N -2.35 2.67 -0.35 -3.49 0.51 -1.26 -1.80 118.94 112.87 3sqc s TRP 32 Ca 0.46 -0.19 0.07 0.00 -2.12 0.00 0.00 56.10 54.32 3sqc s TRP 32 Cb -0.06 -1.42 0.19 0.00 -0.81 0.00 0.00 33.47 31.37 3sqc s TRP 32 CO 0.29 0.40 0.60 -0.46 -0.51 0.00 0.00 176.95 177.26 3sqc s TRP 33 N -1.17 -1.72 0.25 -1.98 -0.00 -1.26 -3.77 118.94 109.30 3sqc s TRP 33 Ca 0.20 0.58 -0.12 0.00 -0.00 0.00 0.00 56.10 56.76 3sqc s TRP 33 Cb -0.11 0.28 -0.08 0.00 -0.00 0.00 0.00 33.47 33.56 3sqc s TRP 33 CO 0.12 -1.13 0.60 0.20 -0.00 0.00 0.00 176.95 176.75 3sqc s GLY 34 N 2.29 2.31 0.80 5.86 0.00 -1.26 -5.02 107.32 112.30 3sqc s GLY 34 Ca 0.13 -0.17 -0.10 0.00 0.00 0.00 0.00 44.72 44.58 3sqc s GLY 34 CO -0.16 0.00 1.11 -4.14 0.00 0.00 0.00 173.10 169.91 3sqc s PRO 35 N -2.80 1.98 -0.21 2.90 0.02 -1.26 -4.61 135.00 131.03 3sqc s PRO 35 Ca 0.49 1.26 -0.04 0.00 0.02 0.00 0.00 61.00 62.73 3sqc s PRO 35 Cb -0.11 -1.86 -0.02 0.00 0.02 0.00 0.00 34.50 32.53 3sqc s PRO 35 CO 0.20 -1.86 -0.03 -1.17 -0.33 0.00 0.00 177.00 173.81 3sqc s LEU 36 N -6.06 3.04 -0.12 -5.54 2.96 -1.26 -3.16 118.68 108.55 3sqc s LEU 36 Ca 0.63 -0.30 -0.13 0.00 -0.22 0.00 0.00 54.13 54.10 3sqc s LEU 36 Cb -0.19 -1.77 -0.05 0.00 0.50 0.00 0.00 46.19 44.69 3sqc s LEU 36 CO 0.56 0.03 0.31 -0.76 -1.32 0.00 0.00 176.35 175.17 3sqc s LEU 37 N 1.19 4.31 0.00 -0.68 1.02 -0.09 -4.52 118.68 119.91 3sqc s LEU 37 Ca 0.03 0.61 0.00 0.00 0.02 0.00 0.00 54.13 54.78 3sqc s LEU 37 Cb -0.14 -2.40 0.00 0.00 0.02 0.00 0.00 46.19 43.67 3sqc s LEU 37 CO -0.00 0.17 0.00 -1.54 0.02 0.00 0.00 176.35 175.00 3sqc n SER 38 N 3.05 0.00 -3.47 2.29 3.41 -1.26 0.48 113.62 118.11 3sqc n SER 38 Ca -0.13 0.00 -0.14 0.00 -0.26 0.00 0.00 58.87 58.34 3sqc n SER 38 Cb 0.52 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.44 3sqc n SER 38 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3sqc s ASN 39 N 1.00 -0.59 0.49 4.04 2.20 -1.26 -4.80 114.94 116.02 3sqc s ASN 39 Ca 0.00 0.30 0.21 0.00 -0.94 0.00 0.00 52.86 52.44 3sqc s ASN 39 Cb 0.00 0.56 0.73 0.00 -2.00 0.00 0.00 41.25 40.53 3sqc s ASN 39 CO 0.00 -0.79 1.04 0.52 -2.94 0.00 0.00 177.10 174.94 3sqc n VAL 40 N 0.18 0.00 0.27 3.54 0.31 -1.26 -2.37 118.33 119.01 3sqc n VAL 40 Ca -0.17 1.01 0.13 0.00 -0.01 0.00 0.00 64.34 65.30 3sqc n VAL 40 Cb 0.61 -1.82 0.78 0.00 -0.91 0.00 0.00 33.84 32.50 3sqc n VAL 40 CO 0.00 0.00 0.00 0.71 -1.32 0.00 0.00 176.83 176.22 3sqc h THR 41 N 0.00 0.62 0.45 2.52 1.35 -1.97 -1.40 112.91 114.49 3sqc h THR 41 Ca 0.40 -0.32 -0.02 0.00 -0.55 0.00 0.00 66.41 65.92 3sqc h THR 41 Cb 2.37 1.20 -0.00 0.00 -1.73 0.00 0.00 68.15 69.99 3sqc h THR 41 CO -0.00 0.07 -0.26 0.24 -0.25 0.00 0.00 175.52 175.32 3sqc h MET 42 N 0.00 -0.64 -0.00 4.72 2.86 -1.81 -0.79 114.93 119.27 3sqc h MET 42 Ca -0.00 0.04 -0.15 0.00 -2.06 0.00 0.00 59.70 57.53 3sqc h MET 42 Cb 0.19 0.15 -0.02 0.00 0.06 0.00 0.00 31.60 31.98 3sqc h MET 42 CO 0.01 -0.43 -0.71 1.05 1.06 0.00 0.00 176.91 177.89 3sqc h GLU 43 N -0.67 0.03 -0.67 1.72 9.09 -1.76 -0.61 114.58 121.71 3sqc h GLU 43 Ca -0.05 -0.03 -0.06 0.00 0.05 0.00 0.00 59.36 59.27 3sqc h GLU 43 Cb 0.54 0.01 -0.03 0.00 -1.65 0.00 0.00 28.75 27.62 3sqc h GLU 43 CO 0.07 0.73 0.19 0.00 0.05 0.00 0.00 179.01 180.04 3sqc h ALA 44 N 1.26 0.88 -0.00 1.06 0.00 -1.14 -0.91 119.26 120.42 3sqc h ALA 44 Ca -0.01 -0.23 -0.19 0.00 0.00 0.00 0.00 54.91 54.48 3sqc h ALA 44 Cb 1.26 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.78 3sqc h ALA 44 CO 0.09 0.58 -0.86 0.93 0.00 0.00 0.00 179.25 179.99 3sqc h GLU 45 N 0.99 0.19 -0.70 0.00 5.08 -1.05 -2.83 114.58 116.25 3sqc h GLU 45 Ca 0.21 -0.21 -0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3sqc h GLU 45 Cb 0.33 0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.61 3sqc h GLU 45 CO -0.00 0.94 0.44 -0.92 -1.00 0.00 0.00 179.01 178.47 3sqc h TYR 46 N 0.11 0.91 -0.41 4.33 5.03 -0.78 0.31 116.97 126.47 3sqc h TYR 46 Ca -0.04 0.01 0.03 0.00 2.58 0.00 0.00 58.73 61.30 3sqc h TYR 46 Cb 1.49 -0.30 -0.03 0.00 1.55 0.00 0.00 36.73 39.43 3sqc h TYR 46 CO 0.03 0.60 0.22 0.28 -1.32 0.00 0.00 178.16 177.97 3sqc h VAL 47 N 0.96 1.00 -0.55 1.81 2.07 -1.08 -0.30 116.25 120.16 3sqc h VAL 47 Ca 0.25 -0.15 -0.08 0.00 0.82 0.00 0.00 66.70 67.54 3sqc h VAL 47 Cb -0.06 0.52 -0.02 0.00 -1.52 0.00 0.00 31.29 30.21 3sqc h VAL 47 CO -0.05 0.08 0.04 -0.07 0.02 0.00 0.00 177.57 177.60 3sqc h LEU 48 N 0.45 0.92 -0.28 2.57 3.38 -1.15 -2.72 115.31 118.48 3sqc h LEU 48 Ca 0.17 -0.28 0.05 0.00 0.09 0.00 0.00 57.88 57.91 3sqc h LEU 48 Cb 0.05 -0.24 -0.05 0.00 0.09 0.00 0.00 40.66 40.51 3sqc h LEU 48 CO -0.10 0.97 -0.02 0.25 0.09 0.00 0.00 178.44 179.64 3sqc h LEU 49 N 0.83 -0.14 -0.66 1.67 5.85 0.10 -1.78 115.31 121.18 3sqc h LEU 49 Ca 0.16 0.07 0.11 0.00 0.84 0.00 0.00 57.88 59.06 3sqc h LEU 49 Cb 0.48 0.13 -0.08 0.00 0.37 0.00 0.00 40.66 41.55 3sqc h LEU 49 CO 0.02 -0.04 0.24 0.00 -0.34 0.00 0.00 178.44 178.32 3sqc h HIS 51 N 0.41 0.31 -0.71 0.00 -0.00 -1.05 -0.63 115.15 113.49 3sqc h HIS 51 Ca 0.34 0.01 -0.02 0.00 -0.00 0.00 0.00 60.37 60.70 3sqc h HIS 51 Cb 0.46 -0.10 -0.03 0.00 -0.00 0.00 0.00 27.41 27.74 3sqc h HIS 51 CO -0.18 0.18 0.34 0.82 -0.00 0.00 0.00 177.93 179.10 3sqc h ILE 52 N 0.35 1.23 -0.01 6.26 2.04 -0.51 -2.06 117.51 124.82 3sqc h ILE 52 Ca 0.12 -0.64 0.00 0.00 1.00 0.00 0.00 64.86 65.34 3sqc h ILE 52 Cb 0.02 0.36 0.00 0.00 -0.74 0.00 0.00 36.82 36.45 3sqc h ILE 52 CO -0.07 0.27 0.00 0.18 0.00 0.00 0.00 178.15 178.53 3sqc n LEU 53 N -4.44 0.38 -3.41 1.44 4.77 -0.04 -4.92 117.00 110.79 3sqc n LEU 53 Ca 0.06 -0.13 -0.25 0.00 -0.03 0.00 0.00 56.01 55.66 3sqc n LEU 53 Cb 0.13 -0.00 0.03 0.00 -2.33 0.00 0.00 43.42 41.25 3sqc n LEU 53 CO 0.39 0.07 0.06 -0.67 -1.33 0.00 0.00 177.39 175.90 3sqc n ASP 54 N -0.68 -5.31 -3.28 -1.43 2.03 -0.36 -4.94 116.55 102.58 3sqc n ASP 54 Ca 0.22 -0.47 -0.25 0.00 0.52 0.00 0.00 54.79 54.81 3sqc n ASP 54 Cb 0.17 -4.27 -0.07 0.00 -0.72 0.00 0.00 41.12 36.22 3sqc n ASP 54 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 3sqc n ARG 55 N -4.28 1.71 -3.36 -0.67 1.74 -0.52 -5.04 116.66 106.25 3sqc n ARG 55 Ca -0.03 -4.00 -0.40 0.00 -0.77 0.00 0.00 57.85 52.65 3sqc n ARG 55 Cb 0.57 -1.78 -0.09 0.00 -1.02 0.00 0.00 32.46 30.14 3sqc n ARG 55 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3sqc s VAL 56 N -2.05 5.13 -0.50 1.55 1.01 -1.26 -4.81 120.40 119.47 3sqc s VAL 56 Ca 0.38 0.33 -0.17 0.00 0.00 0.00 0.00 61.98 62.52 3sqc s VAL 56 Cb 0.18 -3.81 0.07 0.00 0.00 0.00 0.00 36.38 32.82 3sqc s VAL 56 CO -0.06 -0.02 0.52 -0.62 0.00 0.00 0.00 175.10 174.91 3sqc s ASP 57 N 1.70 6.19 0.32 3.32 2.15 -1.26 -4.95 116.67 124.14 3sqc s ASP 57 Ca 0.15 -1.16 0.10 0.00 0.43 0.00 0.00 52.55 52.07 3sqc s ASP 57 Cb -0.16 -2.24 0.94 0.00 -0.30 0.00 0.00 42.92 41.16 3sqc s ASP 57 CO 0.11 -0.79 1.67 0.03 -0.17 0.00 0.00 175.17 176.02 3sqc h ARG 58 N 8.89 0.34 0.04 4.34 2.47 -1.99 -0.68 114.38 127.79 3sqc h ARG 58 Ca -0.28 -0.02 -0.00 0.00 -1.26 0.00 0.00 59.98 58.42 3sqc h ARG 58 Cb 1.10 -0.08 0.00 0.00 -1.65 0.00 0.00 29.97 29.35 3sqc h ARG 58 CO 0.94 0.22 -0.02 0.22 0.56 0.00 0.00 179.97 181.89 3sqc h ASP 59 N 0.35 -0.04 -0.60 7.04 1.82 -2.01 -2.62 116.42 120.35 3sqc h ASP 59 Ca 0.66 -0.16 0.00 0.00 -0.39 0.00 0.00 57.03 57.15 3sqc h ASP 59 Cb 1.42 0.01 -0.03 0.00 0.68 0.00 0.00 39.33 41.41 3sqc h ASP 59 CO -0.59 0.13 0.39 -0.09 -1.61 0.00 0.00 179.24 177.48 3sqc h ARG 60 N -0.22 0.80 -0.37 0.28 9.65 -1.60 -2.08 114.38 120.84 3sqc h ARG 60 Ca -0.01 -0.05 -0.04 0.00 -1.10 0.00 0.00 59.98 58.78 3sqc h ARG 60 Cb 0.20 -0.18 -0.02 0.00 -1.39 0.00 0.00 29.97 28.58 3sqc h ARG 60 CO 0.01 0.54 0.05 0.52 2.80 0.00 0.00 179.97 183.89 3sqc h MET 61 N 0.82 0.55 0.15 0.20 2.86 -0.93 -2.41 114.93 116.18 3sqc h MET 61 Ca 0.22 -0.10 -0.01 0.00 -2.06 0.00 0.00 59.70 57.75 3sqc h MET 61 Cb -0.08 -0.09 0.00 0.00 0.06 0.00 0.00 31.60 31.49 3sqc h MET 61 CO -0.05 0.54 -0.07 0.93 1.06 0.00 0.00 176.91 179.32 3sqc h GLU 62 N 0.54 -0.20 -0.03 1.72 4.39 -1.02 -0.53 114.58 119.45 3sqc h GLU 62 Ca 0.12 0.01 0.01 0.00 0.34 0.00 0.00 59.36 59.84 3sqc h GLU 62 Cb 0.26 0.04 -0.00 0.00 -0.10 0.00 0.00 28.75 28.96 3sqc h GLU 62 CO 0.00 0.08 0.06 0.87 -1.16 0.00 0.00 179.01 178.86 3sqc h LYS 63 N -0.47 0.00 0.08 2.33 1.57 -1.38 -0.14 116.57 118.56 3sqc h LYS 63 Ca -0.02 0.00 -0.28 0.00 -1.87 0.00 0.00 60.65 58.48 3sqc h LYS 63 Cb 0.37 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.66 3sqc h LYS 63 CO 0.03 0.00 -1.38 0.82 -0.57 0.00 0.00 179.45 178.35 3sqc h ILE 64 N 0.00 1.30 -0.27 1.86 2.04 -1.07 -1.80 117.51 119.58 3sqc h ILE 64 Ca 0.02 -2.98 -0.03 0.00 1.00 0.00 0.00 64.86 62.87 3sqc h ILE 64 Cb 0.13 2.77 -0.01 0.00 -0.74 0.00 0.00 36.82 38.96 3sqc h ILE 64 CO -0.00 0.83 0.04 -0.09 0.00 0.00 0.00 178.15 178.93 3sqc h ARG 65 N 0.04 0.44 -0.95 2.37 2.43 0.59 -0.78 114.38 118.52 3sqc h ARG 65 Ca -0.18 -0.12 0.01 0.00 -0.81 0.00 0.00 59.98 58.89 3sqc h ARG 65 Cb 1.95 -0.05 -0.05 0.00 -0.42 0.00 0.00 29.97 31.40 3sqc h ARG 65 CO 0.15 0.56 0.63 0.00 -1.51 0.00 0.00 179.97 179.80 3sqc h ARG 66 N 0.25 1.24 0.32 0.20 3.08 -1.36 -1.88 114.38 116.24 3sqc h ARG 66 Ca 0.08 -0.07 -0.02 0.00 0.07 0.00 0.00 59.98 60.04 3sqc h ARG 66 Cb 0.34 -0.28 0.00 0.00 0.08 0.00 0.00 29.97 30.11 3sqc h ARG 66 CO 0.01 0.82 -0.16 -0.92 -1.07 0.00 0.00 179.97 178.65 3sqc h TYR 67 N 1.28 -0.40 -0.91 3.04 3.20 -1.33 -0.47 116.97 121.37 3sqc h TYR 67 Ca 0.35 -0.01 0.12 0.00 3.14 0.00 0.00 58.73 62.33 3sqc h TYR 67 Cb -0.13 0.13 -0.08 0.00 1.54 0.00 0.00 36.73 38.19 3sqc h TYR 67 CO -0.01 -0.07 0.54 -0.07 -1.64 0.00 0.00 178.16 176.91 3sqc h LEU 68 N -0.78 0.76 -0.06 2.82 3.38 -1.02 -1.01 115.31 119.41 3sqc h LEU 68 Ca -0.04 0.06 -0.02 0.00 0.09 0.00 0.00 57.88 57.96 3sqc h LEU 68 Cb 0.51 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 41.17 3sqc h LEU 68 CO 0.07 0.39 -0.05 -0.07 0.09 0.00 0.00 178.44 178.87 3sqc h LEU 69 N 0.85 0.15 -2.17 1.67 4.07 -1.34 -2.42 115.31 116.11 3sqc h LEU 69 Ca 0.46 -0.48 0.06 0.00 0.08 0.00 0.00 57.88 58.00 3sqc h LEU 69 Cb 0.50 -0.04 -0.01 0.00 1.08 0.00 0.00 40.66 42.19 3sqc h LEU 69 CO -0.28 0.60 0.28 -0.74 -1.08 0.00 0.00 178.44 177.21 3sqc h HIS 70 N -0.30 0.00 0.00 1.13 -0.00 -0.44 -1.11 115.15 114.43 3sqc h HIS 70 Ca 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.38 3sqc h HIS 70 Cb 0.55 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.96 3sqc h HIS 70 CO 0.09 0.00 -1.05 0.39 -0.00 0.00 0.00 177.93 177.35 3sqc n GLU 71 N -3.54 0.52 -2.21 5.26 -0.58 -0.44 -4.92 120.64 114.72 3sqc n GLU 71 Ca 0.02 0.07 -0.37 0.00 -0.42 0.00 0.00 57.16 56.45 3sqc n GLU 71 Cb 0.40 -1.74 -0.01 0.00 -0.57 0.00 0.00 31.44 29.52 3sqc n GLU 71 CO 0.00 0.00 0.00 -1.14 -0.48 0.00 0.00 177.13 175.51 3sqc s GLN 72 N -3.33 3.74 0.53 3.49 0.74 -0.42 -4.80 119.66 119.62 3sqc s GLN 72 Ca 0.00 1.83 0.06 0.00 0.05 0.00 0.00 55.36 57.30 3sqc s GLN 72 Cb 0.11 -2.43 0.05 0.00 1.10 0.00 0.00 33.01 31.84 3sqc s GLN 72 CO 0.79 -0.58 0.73 1.03 -0.55 0.00 0.00 175.29 176.72 3sqc s ARG 73 N -2.66 2.46 0.31 1.67 3.00 -0.26 -4.94 118.95 118.54 3sqc s ARG 73 Ca 0.63 -1.23 0.06 0.00 0.00 0.00 0.00 55.73 55.20 3sqc s ARG 73 Cb -0.30 -2.61 0.74 0.00 0.00 0.00 0.00 34.95 32.78 3sqc s ARG 73 CO 0.37 -0.69 1.81 0.93 0.00 0.00 0.00 175.30 177.71 3sqc h GLU 74 N 0.22 0.76 0.00 3.54 5.08 -1.97 0.22 114.58 122.44 3sqc h GLU 74 Ca -0.37 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 57.94 3sqc h GLU 74 Cb 1.28 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 30.36 3sqc h GLU 74 CO 0.45 0.50 0.00 -0.40 -1.00 0.00 0.00 179.01 178.56 3sqc n ASP 75 N -4.68 0.00 -0.05 1.42 5.68 -1.26 -4.84 116.55 112.81 3sqc n ASP 75 Ca 0.21 0.19 -0.01 0.00 -0.50 0.00 0.00 54.79 54.69 3sqc n ASP 75 Cb 0.52 -0.32 -0.00 0.00 -1.14 0.00 0.00 41.12 40.18 3sqc n ASP 75 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3sqc n GLY 76 N -0.36 0.37 3.52 6.12 0.00 0.78 -4.48 105.19 111.15 3sqc n GLY 76 Ca 0.05 -0.94 -0.24 0.00 0.00 0.00 0.00 46.02 44.88 3sqc n GLY 76 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3sqc s THR 77 N -2.02 1.71 0.06 2.61 -4.23 -1.25 -3.20 115.64 109.32 3sqc s THR 77 Ca 0.00 -2.05 0.09 0.00 -1.18 0.00 0.00 61.69 58.55 3sqc s THR 77 Cb 0.00 -2.78 -0.03 0.00 1.34 0.00 0.00 72.50 71.03 3sqc s THR 77 CO 0.00 -0.08 -0.24 0.26 -0.54 0.00 0.00 174.62 174.01 3sqc s TRP 78 N -2.94 2.12 0.53 3.99 0.51 -1.26 -1.10 118.94 120.79 3sqc s TRP 78 Ca 0.34 -0.40 0.03 0.00 -2.12 0.00 0.00 56.10 53.95 3sqc s TRP 78 Cb 0.07 -1.25 0.02 0.00 -0.81 0.00 0.00 33.47 31.50 3sqc s TRP 78 CO 0.16 0.15 0.19 0.00 -0.51 0.00 0.00 176.95 176.94 3sqc s ALA 79 N -0.86 4.32 -0.01 0.98 0.00 -1.26 -1.53 121.76 123.39 3sqc s ALA 79 Ca 0.10 -0.68 -0.10 0.00 0.00 0.00 0.00 51.96 51.28 3sqc s ALA 79 Cb -0.10 -0.33 -0.31 0.00 0.00 0.00 0.00 23.12 22.38 3sqc s ALA 79 CO 0.03 -0.22 0.81 -0.07 0.00 0.00 0.00 175.76 176.30 3sqc h LEU 80 N 1.04 0.63 -8.68 0.00 3.38 -1.89 -3.44 115.31 106.36 3sqc h LEU 80 Ca -0.41 -0.84 -0.45 0.00 0.09 0.00 0.00 57.88 56.28 3sqc h LEU 80 Cb 1.31 -0.21 -0.18 0.00 0.09 0.00 0.00 40.66 41.68 3sqc h LEU 80 CO 0.66 1.69 -0.76 -0.72 0.09 0.00 0.00 178.44 179.40 3sqc s TYR 81 N -2.59 1.53 0.09 1.13 1.13 -1.26 -4.59 117.35 112.78 3sqc s TYR 81 Ca -0.12 -0.54 -0.31 0.00 -1.41 0.00 0.00 57.07 54.69 3sqc s TYR 81 Cb 0.05 -0.78 -0.09 0.00 -1.10 0.00 0.00 41.96 40.04 3sqc s TYR 81 CO 0.88 0.20 1.76 -1.25 -2.51 0.00 0.00 175.55 174.63 3sqc s PRO 82 N -2.75 4.16 0.00 -3.49 0.04 -1.26 -1.36 135.00 130.34 3sqc s PRO 82 Ca 0.11 2.48 0.00 0.00 0.04 0.00 0.00 61.00 63.63 3sqc s PRO 82 Cb -0.05 -3.63 0.00 0.00 0.04 0.00 0.00 34.50 30.86 3sqc s PRO 82 CO 0.04 -0.80 0.00 0.41 0.04 0.00 0.00 177.00 176.69 3sqc n GLY 83 N 4.15 0.98 3.89 0.56 0.00 -1.26 -4.79 105.19 108.72 3sqc n GLY 83 Ca 0.17 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.90 3sqc n GLY 83 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3sqc s GLY 84 N -1.65 1.62 0.85 -0.02 0.00 -0.46 -5.04 107.32 102.61 3sqc s GLY 84 Ca 0.00 -0.47 -0.12 0.00 0.00 0.00 0.00 44.72 44.13 3sqc s GLY 84 CO 0.00 -0.08 1.19 2.56 0.00 0.00 0.00 173.10 176.77 3sqc s PRO 85 N -5.36 1.38 0.27 2.90 0.04 -1.26 -4.78 135.00 128.20 3sqc s PRO 85 Ca 0.59 1.70 -0.30 0.00 0.04 0.00 0.00 61.00 63.03 3sqc s PRO 85 Cb -0.11 -1.75 -0.10 0.00 0.04 0.00 0.00 34.50 32.57 3sqc s PRO 85 CO 0.50 -2.39 1.47 -1.25 0.04 0.00 0.00 177.00 175.37 3sqc s PRO 86 N -4.31 4.23 -0.19 0.56 0.04 -1.26 -4.45 135.00 129.62 3sqc s PRO 86 Ca 0.71 2.38 -0.07 0.00 0.04 0.00 0.00 61.00 64.06 3sqc s PRO 86 Cb -0.27 -3.08 -0.04 0.00 0.04 0.00 0.00 34.50 31.16 3sqc s PRO 86 CO 0.53 -0.46 0.04 0.34 0.04 0.00 0.00 177.00 177.49 3sqc s ASP 87 N 0.31 5.35 0.05 6.66 -1.08 -0.58 -4.98 116.67 122.39 3sqc s ASP 87 Ca 0.59 -0.02 -0.26 0.00 -0.52 0.00 0.00 52.55 52.34 3sqc s ASP 87 Cb -0.43 -1.91 -0.17 0.00 -1.46 0.00 0.00 42.92 38.94 3sqc s ASP 87 CO 0.46 0.14 1.50 0.25 0.52 0.00 0.00 175.17 178.03 3sqc h LEU 88 N 6.97 -0.30 0.28 -1.34 5.85 -1.94 -2.23 115.31 122.61 3sqc h LEU 88 Ca -0.36 -0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.26 3sqc h LEU 88 Cb 1.17 0.08 -0.04 0.00 0.37 0.00 0.00 40.66 42.24 3sqc h LEU 88 CO 0.66 -0.07 -0.51 0.44 -0.34 0.00 0.00 178.44 178.62 3sqc h ASP 89 N -0.52 -1.49 -0.70 1.25 3.32 -1.95 0.32 116.42 116.66 3sqc h ASP 89 Ca -0.04 0.14 0.13 0.00 0.02 0.00 0.00 57.03 57.29 3sqc h ASP 89 Cb 0.38 0.53 -0.09 0.00 0.22 0.00 0.00 39.33 40.37 3sqc h ASP 89 CO 0.06 -0.60 0.23 0.74 -1.72 0.00 0.00 179.24 177.95 3sqc h THR 90 N -0.85 0.64 -0.53 0.35 2.02 -1.90 -1.14 112.91 111.51 3sqc h THR 90 Ca -0.03 -0.13 -0.09 0.00 0.77 0.00 0.00 66.41 66.94 3sqc h THR 90 Cb 0.80 0.24 -0.02 0.00 -1.74 0.00 0.00 68.15 67.43 3sqc h THR 90 CO -0.19 0.07 -0.02 0.74 0.37 0.00 0.00 175.52 176.48 3sqc h THR 91 N 0.37 1.26 -0.21 3.16 2.02 -0.98 0.25 112.91 118.77 3sqc h THR 91 Ca 0.38 -1.11 -0.04 0.00 0.77 0.00 0.00 66.41 66.42 3sqc h THR 91 Cb 0.58 0.87 -0.01 0.00 -1.74 0.00 0.00 68.15 67.86 3sqc h THR 91 CO -0.41 0.39 -0.01 0.40 0.37 0.00 0.00 175.52 176.26 3sqc h ILE 92 N 0.84 1.26 -0.52 3.11 2.04 0.21 0.08 117.51 124.54 3sqc h ILE 92 Ca 0.15 -0.90 -0.09 0.00 1.00 0.00 0.00 64.86 65.01 3sqc h ILE 92 Cb 0.53 1.45 -0.02 0.00 -0.74 0.00 0.00 36.82 38.03 3sqc h ILE 92 CO 0.03 0.28 -0.05 -0.33 0.00 0.00 0.00 178.15 178.08 3sqc h GLU 93 N 0.12 0.91 -0.45 2.37 5.08 -1.16 0.09 114.58 121.55 3sqc h GLU 93 Ca 0.06 -0.29 -0.01 0.00 -1.00 0.00 0.00 59.36 58.11 3sqc h GLU 93 Cb 0.42 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.56 3sqc h GLU 93 CO 0.01 0.94 0.23 0.00 -1.00 0.00 0.00 179.01 179.18 3sqc h ALA 94 N 1.11 0.58 -0.01 3.43 0.00 -0.81 -0.70 119.26 122.85 3sqc h ALA 94 Ca 0.15 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3sqc h ALA 94 Cb 0.56 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.17 3sqc h ALA 94 CO 0.03 0.13 -0.01 -0.92 0.00 0.00 0.00 179.25 178.48 3sqc h TYR 95 N 0.58 -0.02 -0.93 0.00 3.20 -0.63 -0.67 116.97 118.51 3sqc h TYR 95 Ca 0.16 0.00 0.01 0.00 3.14 0.00 0.00 58.73 62.03 3sqc h TYR 95 Cb 0.10 0.01 -0.05 0.00 1.54 0.00 0.00 36.73 38.33 3sqc h TYR 95 CO -0.01 -0.01 0.61 0.28 -1.64 0.00 0.00 178.16 177.38 3sqc h VAL 96 N -0.01 1.24 0.25 1.81 2.07 -0.67 -0.08 116.25 120.85 3sqc h VAL 96 Ca 0.01 -0.45 -0.01 0.00 0.82 0.00 0.00 66.70 67.06 3sqc h VAL 96 Cb 0.02 -0.12 0.00 0.00 -1.52 0.00 0.00 31.29 29.67 3sqc h VAL 96 CO -0.01 0.24 -0.12 0.00 0.02 0.00 0.00 177.57 177.70 3sqc h ALA 97 N 1.41 -0.33 -0.68 1.67 0.00 -0.81 -2.22 119.26 118.29 3sqc h ALA 97 Ca 0.34 -0.12 0.08 0.00 0.00 0.00 0.00 54.91 55.21 3sqc h ALA 97 Cb -0.13 0.13 -0.06 0.00 0.00 0.00 0.00 17.79 17.72 3sqc h ALA 97 CO -0.07 -0.62 0.35 -0.07 0.00 0.00 0.00 179.25 178.84 3sqc h LEU 98 N -0.47 0.48 -1.25 0.00 3.38 -0.65 0.30 115.31 117.11 3sqc h LEU 98 Ca -0.03 0.05 -0.04 0.00 0.09 0.00 0.00 57.88 57.94 3sqc h LEU 98 Cb 0.35 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.05 3sqc h LEU 98 CO 0.06 0.29 0.05 0.50 0.09 0.00 0.00 178.44 179.43 3sqc h LYS 99 N 0.62 0.57 -0.15 1.13 3.64 -0.93 -2.20 116.57 119.25 3sqc h LYS 99 Ca 0.32 -0.11 -0.10 0.00 -1.27 0.00 0.00 60.65 59.50 3sqc h LYS 99 Cb 0.29 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.02 3sqc h LYS 99 CO -0.23 0.55 -0.30 -0.92 -2.27 0.00 0.00 179.45 176.28 3sqc h TYR 100 N 0.55 0.60 -0.64 1.91 3.20 -0.64 -3.15 116.97 118.80 3sqc h TYR 100 Ca 0.12 -0.21 0.09 0.00 3.14 0.00 0.00 58.73 61.87 3sqc h TYR 100 Cb 0.27 -0.11 -0.04 0.00 1.54 0.00 0.00 36.73 38.39 3sqc h TYR 100 CO 0.01 0.93 0.43 0.82 -1.64 0.00 0.00 178.16 178.70 3sqc h ILE 101 N 0.10 0.93 0.00 1.81 2.04 -0.63 -3.46 117.51 118.30 3sqc h ILE 101 Ca 0.01 -0.18 0.00 0.00 1.00 0.00 0.00 64.86 65.69 3sqc h ILE 101 Cb 0.89 0.36 0.00 0.00 -0.74 0.00 0.00 36.82 37.33 3sqc h ILE 101 CO 0.07 0.10 0.00 0.61 0.00 0.00 0.00 178.15 178.92 3sqc n GLY 102 N -1.49 0.69 3.76 5.37 0.00 -0.86 -5.05 105.19 107.60 3sqc n GLY 102 Ca 0.10 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.71 3sqc n GLY 102 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3sqc n MET 103 N 0.00 2.62 -3.18 1.61 2.81 -1.07 -4.99 117.12 114.92 3sqc n MET 103 Ca 0.00 0.92 -0.28 0.00 -1.81 0.00 0.00 57.70 56.53 3sqc n MET 103 Cb 0.00 -2.65 -0.03 0.00 -0.71 0.00 0.00 33.22 29.83 3sqc n MET 103 CO 0.00 0.00 0.00 -1.54 1.51 0.00 0.00 175.97 175.94 3sqc s SER 104 N 0.02 6.43 0.60 7.83 1.04 -1.26 -4.36 113.70 124.00 3sqc s SER 104 Ca 0.56 0.79 0.38 0.00 0.48 0.00 0.00 55.95 58.16 3sqc s SER 104 Cb -0.49 -2.18 2.06 0.00 0.10 0.00 0.00 66.02 65.51 3sqc s SER 104 CO 0.60 -0.28 2.16 0.08 0.98 0.00 0.00 173.24 176.77 3sqc h ARG 105 N 1.36 0.00 -0.16 4.02 0.11 -1.96 -2.85 114.38 114.90 3sqc h ARG 105 Ca -0.48 0.00 -0.18 0.00 0.10 0.00 0.00 59.98 59.42 3sqc h ARG 105 Cb 1.19 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 32.27 3sqc h ARG 105 CO 0.65 0.00 -0.64 -0.44 0.10 0.00 0.00 179.97 179.64 3sqc h ASP 106 N 0.00 0.67 -3.22 0.08 3.32 -1.96 -3.34 116.42 111.98 3sqc h ASP 106 Ca 0.00 -0.40 -0.57 0.00 0.02 0.00 0.00 57.03 56.08 3sqc h ASP 106 Cb 0.13 -0.20 0.11 0.00 0.22 0.00 0.00 39.33 39.60 3sqc h ASP 106 CO 0.00 1.14 0.42 -0.62 -1.72 0.00 0.00 179.24 178.46 3sqc n GLU 107 N -3.92 1.91 -0.35 3.56 1.02 -1.08 -4.63 120.64 117.15 3sqc n GLU 107 Ca -0.04 0.67 -0.04 0.00 -0.02 0.00 0.00 57.16 57.74 3sqc n GLU 107 Cb 0.66 -2.24 -0.00 0.00 -0.02 0.00 0.00 31.44 29.83 3sqc n GLU 107 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 3sqc n GLU 108 N 0.45 -0.26 -0.37 3.49 -0.58 -1.26 -0.76 120.64 121.35 3sqc n GLU 108 Ca 0.06 1.35 -0.02 0.00 -0.42 0.00 0.00 57.16 58.13 3sqc n GLU 108 Cb 0.36 -2.00 0.11 0.00 -0.57 0.00 0.00 31.44 29.35 3sqc n GLU 108 CO 0.00 0.00 0.00 -1.35 -0.48 0.00 0.00 177.13 175.30 3sqc h PRO 109 N 0.00 1.27 -0.19 3.49 0.11 -1.96 -2.83 132.00 131.88 3sqc h PRO 109 Ca 0.26 -0.08 -0.02 0.00 0.11 0.00 0.00 66.00 66.27 3sqc h PRO 109 Cb 0.48 -0.29 -0.01 0.00 0.11 0.00 0.00 31.00 31.29 3sqc h PRO 109 CO -0.86 0.84 0.05 0.52 -0.21 0.00 0.00 178.00 178.34 3sqc h MET 110 N 1.30 0.30 0.29 1.05 2.86 -1.25 -2.82 114.93 116.67 3sqc h MET 110 Ca 0.37 -0.07 0.00 0.00 -2.06 0.00 0.00 59.70 57.94 3sqc h MET 110 Cb -0.11 -0.04 -0.03 0.00 0.06 0.00 0.00 31.60 31.47 3sqc h MET 110 CO -0.09 0.42 -0.41 1.96 1.06 0.00 0.00 176.91 179.85 3sqc h GLN 111 N 0.13 -0.72 -0.61 1.72 1.08 -0.87 -0.14 115.11 115.69 3sqc h GLN 111 Ca 0.06 0.05 0.08 0.00 -1.45 0.00 0.00 58.65 57.39 3sqc h GLN 111 Cb 0.25 0.16 -0.06 0.00 -0.05 0.00 0.00 27.48 27.78 3sqc h GLN 111 CO -0.00 -0.48 0.28 0.87 -0.95 0.00 0.00 178.83 178.54 3sqc h LYS 112 N -0.75 0.49 0.60 1.46 1.57 -1.57 0.64 116.57 119.01 3sqc h LYS 112 Ca -0.01 -0.03 -0.03 0.00 -1.87 0.00 0.00 60.65 58.71 3sqc h LYS 112 Cb 0.71 -0.11 0.01 0.00 0.08 0.00 0.00 32.23 32.92 3sqc h LYS 112 CO -0.14 0.32 -0.29 0.00 -0.57 0.00 0.00 179.45 178.78 3sqc h ALA 113 N 1.38 -0.81 -0.76 3.86 0.00 -1.34 -2.56 119.26 119.03 3sqc h ALA 113 Ca 0.30 -0.19 0.13 0.00 0.00 0.00 0.00 54.91 55.14 3sqc h ALA 113 Cb 0.30 0.31 -0.09 0.00 0.00 0.00 0.00 17.79 18.31 3sqc h ALA 113 CO -0.25 -0.92 0.34 1.25 0.00 0.00 0.00 179.25 179.67 3sqc h LEU 114 N -0.87 0.39 -1.09 0.00 6.46 -0.56 -0.77 115.31 118.86 3sqc h LEU 114 Ca -0.08 0.09 -0.03 0.00 -0.12 0.00 0.00 57.88 57.73 3sqc h LEU 114 Cb 0.64 0.04 -0.03 0.00 -0.73 0.00 0.00 40.66 40.58 3sqc h LEU 114 CO 0.14 0.18 0.25 0.03 -0.62 0.00 0.00 178.44 178.42 3sqc h ARG 115 N 0.53 0.90 -0.32 1.25 3.08 -0.79 0.28 114.38 119.31 3sqc h ARG 115 Ca 0.40 -0.14 -0.07 0.00 0.07 0.00 0.00 59.98 60.24 3sqc h ARG 115 Cb 0.54 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 30.43 3sqc h ARG 115 CO -0.35 0.73 -0.09 0.35 -1.07 0.00 0.00 179.97 179.54 3sqc h PHE 116 N 0.89 0.70 0.22 3.04 3.57 -0.86 -1.34 116.94 123.16 3sqc h PHE 116 Ca 0.21 -0.15 0.01 0.00 3.53 0.00 0.00 57.97 61.56 3sqc h PHE 116 Cb 0.16 -0.17 -0.02 0.00 2.79 0.00 0.00 35.95 38.71 3sqc h PHE 116 CO 0.01 0.81 -0.27 0.82 -2.23 0.00 0.00 178.31 177.45 3sqc h ILE 117 N 0.39 0.43 -0.83 1.41 2.04 -0.51 -2.60 117.51 117.85 3sqc h ILE 117 Ca 0.08 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.99 3sqc h ILE 117 Cb 0.59 0.43 -0.05 0.00 -0.74 0.00 0.00 36.82 37.05 3sqc h ILE 117 CO 0.03 0.00 0.54 1.56 0.00 0.00 0.00 178.15 180.28 3sqc h GLN 118 N -0.54 0.94 0.00 2.37 4.20 -0.93 0.00 115.11 121.15 3sqc h GLN 118 Ca 0.00 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.66 3sqc h GLN 118 Cb 0.51 -0.21 0.00 0.00 0.30 0.00 0.00 27.48 28.08 3sqc h GLN 118 CO -0.08 0.62 0.00 -1.13 -0.67 0.00 0.00 178.83 177.57 3sqc n SER 119 N -4.46 0.31 -0.78 1.46 3.41 -0.51 -2.15 113.62 110.89 3sqc n SER 119 Ca 0.11 0.62 0.10 0.00 -0.26 0.00 0.00 58.87 59.44 3sqc n SER 119 Cb 0.16 -0.67 0.09 0.00 -0.26 0.00 0.00 64.21 63.53 3sqc n SER 119 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3sqc n GLN 120 N -1.89 1.72 0.00 4.33 1.13 -0.03 -4.94 117.38 117.70 3sqc n GLN 120 Ca 0.01 -1.69 0.00 0.00 -1.94 0.00 0.00 57.00 53.38 3sqc n GLN 120 Cb 0.08 -1.37 0.00 0.00 0.11 0.00 0.00 30.24 29.06 3sqc n GLN 120 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3sqc n GLY 121 N 1.09 0.66 7.00 1.08 0.00 -0.91 -4.38 105.19 109.72 3sqc n GLY 121 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 3sqc n GLY 121 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3sqc n GLY 122 N -1.57 0.37 0.43 -0.02 0.00 -1.09 -3.80 105.19 99.51 3sqc n GLY 122 Ca 0.00 -0.84 0.23 0.00 0.00 0.00 0.00 46.02 45.41 3sqc n GLY 122 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3sqc h ILE 123 N 0.00 0.59 0.00 -0.61 -0.00 -1.59 -2.13 117.51 113.77 3sqc h ILE 123 Ca 0.00 -0.10 0.00 0.00 -0.00 0.00 0.00 64.86 64.76 3sqc h ILE 123 Cb 0.00 0.28 0.00 0.00 -0.00 0.00 0.00 36.82 37.10 3sqc h ILE 123 CO 0.00 0.05 0.00 -0.62 -0.00 0.00 0.00 178.15 177.58 3sqc n GLU 124 N -4.46 0.09 0.00 2.19 -0.58 -1.25 -2.80 120.64 113.83 3sqc n GLU 124 Ca 0.21 0.27 0.12 0.00 -0.42 0.00 0.00 57.16 57.34 3sqc n GLU 124 Cb 0.84 -1.65 0.19 0.00 -0.57 0.00 0.00 31.44 30.25 3sqc n GLU 124 CO 0.00 0.00 0.00 0.43 -0.48 0.00 0.00 177.13 177.08 3sqc n SER 125 N -1.82 1.33 -4.86 1.62 7.64 -0.80 -4.56 113.62 112.17 3sqc n SER 125 Ca 0.04 -1.06 -0.32 0.00 1.01 0.00 0.00 58.87 58.54 3sqc n SER 125 Cb 0.24 0.34 -0.02 0.00 -1.01 0.00 0.00 64.21 63.76 3sqc n SER 125 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 3sqc s SER 126 N -2.59 6.46 1.20 6.43 1.04 -1.12 -4.66 113.70 120.46 3sqc s SER 126 Ca 0.20 1.49 -0.14 0.00 0.48 0.00 0.00 55.95 57.97 3sqc s SER 126 Cb 0.18 -2.48 0.29 0.00 0.10 0.00 0.00 66.02 64.11 3sqc s SER 126 CO 0.59 -0.69 0.91 -2.11 0.98 0.00 0.00 173.24 172.91 3sqc n ARG 127 N -2.05 -2.64 0.09 4.02 1.85 -1.26 -4.79 116.66 111.88 3sqc n ARG 127 Ca 0.06 -0.74 -0.13 0.00 -1.00 0.00 0.00 57.85 56.04 3sqc n ARG 127 Cb 0.54 -2.10 -0.07 0.00 -1.05 0.00 0.00 32.46 29.77 3sqc n ARG 127 CO 0.00 0.00 0.00 0.28 -0.01 0.00 0.00 177.63 177.90 3sqc h VAL 128 N -2.74 0.90 -0.68 8.89 2.07 -1.93 -2.89 116.25 119.87 3sqc h VAL 128 Ca -0.63 -0.03 0.15 0.00 0.82 0.00 0.00 66.70 67.01 3sqc h VAL 128 Cb 1.34 0.91 -0.12 0.00 -1.52 0.00 0.00 31.29 31.90 3sqc h VAL 128 CO 0.49 0.01 -0.07 -0.26 0.02 0.00 0.00 177.57 177.75 3sqc h PHE 129 N -0.16 -0.18 -0.29 1.57 0.04 -1.92 0.31 116.94 116.31 3sqc h PHE 129 Ca -0.02 0.06 0.00 0.00 2.80 0.00 0.00 57.97 60.81 3sqc h PHE 129 Cb 0.12 0.19 -0.01 0.00 2.20 0.00 0.00 35.95 38.45 3sqc h PHE 129 CO -0.07 -0.24 0.19 1.15 -0.60 0.00 0.00 178.31 178.74 3sqc h THR 130 N 0.06 1.08 -0.23 -1.55 2.02 -1.90 0.20 112.91 112.59 3sqc h THR 130 Ca 0.35 -0.14 -0.09 0.00 0.77 0.00 0.00 66.41 67.30 3sqc h THR 130 Cb 0.58 0.66 -0.01 0.00 -1.74 0.00 0.00 68.15 67.63 3sqc h THR 130 CO -0.64 0.07 -0.24 0.03 0.37 0.00 0.00 175.52 175.11 3sqc h ARG 131 N 0.39 0.44 -0.10 6.66 3.08 -0.98 -2.03 114.38 121.83 3sqc h ARG 131 Ca 0.10 -0.16 -0.01 0.00 0.07 0.00 0.00 59.98 59.98 3sqc h ARG 131 Cb -0.04 -0.03 -0.00 0.00 0.08 0.00 0.00 29.97 29.98 3sqc h ARG 131 CO -0.02 0.65 0.00 1.98 -1.07 0.00 0.00 179.97 181.51 3sqc h MET 132 N 0.39 0.17 -0.90 0.04 4.05 0.26 0.26 114.93 119.20 3sqc h MET 132 Ca 0.06 -0.05 0.08 0.00 -0.28 0.00 0.00 59.70 59.51 3sqc h MET 132 Cb 0.63 -0.02 -0.06 0.00 -0.80 0.00 0.00 31.60 31.36 3sqc h MET 132 CO 0.05 0.41 0.58 -1.49 0.23 0.00 0.00 176.91 176.69 3sqc h TRP 133 N -0.10 1.01 -0.11 1.39 4.06 -0.45 0.23 115.95 121.98 3sqc h TRP 133 Ca 0.03 0.03 -0.16 0.00 2.06 0.00 0.00 58.89 60.84 3sqc h TRP 133 Cb 0.33 -0.33 -0.01 0.00 -1.00 0.00 0.00 29.16 28.15 3sqc h TRP 133 CO 0.03 0.51 -0.63 -0.07 -3.56 0.00 0.00 178.44 174.71 3sqc h LEU 134 N 0.98 0.47 -0.52 -4.49 3.38 -1.06 -2.84 115.31 111.22 3sqc h LEU 134 Ca 0.40 -0.28 -0.08 0.00 0.09 0.00 0.00 57.88 58.01 3sqc h LEU 134 Cb 0.28 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.87 3sqc h LEU 134 CO -0.16 0.98 0.01 0.00 0.09 0.00 0.00 178.44 179.36 3sqc h ALA 135 N 1.02 0.70 -0.77 1.53 0.00 0.95 0.16 119.26 122.85 3sqc h ALA 135 Ca -0.01 -0.29 0.11 0.00 0.00 0.00 0.00 54.91 54.72 3sqc h ALA 135 Cb 1.17 -0.19 -0.08 0.00 0.00 0.00 0.00 17.79 18.69 3sqc h ALA 135 CO 0.11 0.52 0.40 -0.07 0.00 0.00 0.00 179.25 180.20 3sqc h LEU 136 N 0.79 0.52 -0.29 0.00 3.38 -0.46 0.15 115.31 119.40 3sqc h LEU 136 Ca 0.15 0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.18 3sqc h LEU 136 Cb 0.52 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.24 3sqc h LEU 136 CO 0.03 0.28 0.00 0.55 0.09 0.00 0.00 178.44 179.39 3sqc n VAL 137 N -4.84 0.00 -1.24 1.22 3.14 -1.06 -0.36 118.33 115.19 3sqc n VAL 137 Ca 0.13 -0.07 -0.01 0.00 -2.96 0.00 0.00 64.34 61.42 3sqc n VAL 137 Cb 0.31 -0.20 -0.00 0.00 -1.06 0.00 0.00 33.84 32.89 3sqc n VAL 137 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 3sqc n GLY 138 N 1.05 0.44 0.03 7.55 0.00 0.04 -3.53 105.19 110.77 3sqc n GLY 138 Ca 0.22 -0.99 0.11 0.00 0.00 0.00 0.00 46.02 45.36 3sqc n GLY 138 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3sqc n GLU 139 N -2.58 0.65 -4.51 1.61 -0.58 0.48 -4.92 120.64 110.80 3sqc n GLU 139 Ca -0.01 -0.14 -0.20 0.00 -0.42 0.00 0.00 57.16 56.39 3sqc n GLU 139 Cb 0.14 -1.58 -0.15 0.00 -0.57 0.00 0.00 31.44 29.28 3sqc n GLU 139 CO 0.00 0.00 0.00 -0.47 -0.48 0.00 0.00 177.13 176.18 3sqc s TYR 140 N -3.48 1.03 0.11 -0.32 5.04 -1.20 -4.93 117.35 113.60 3sqc s TYR 140 Ca -0.07 -0.19 -0.31 0.00 -2.44 0.00 0.00 57.07 54.06 3sqc s TYR 140 Cb 0.13 -0.66 -0.09 0.00 0.35 0.00 0.00 41.96 41.69 3sqc s TYR 140 CO 0.89 -0.02 1.58 -1.25 -1.34 0.00 0.00 175.55 175.41 3sqc s PRO 141 N -0.27 4.22 0.33 4.97 0.04 -1.26 -3.96 135.00 139.07 3sqc s PRO 141 Ca 0.04 2.30 0.06 0.00 0.04 0.00 0.00 61.00 63.44 3sqc s PRO 141 Cb -0.04 -3.38 0.72 0.00 0.04 0.00 0.00 34.50 31.83 3sqc s PRO 141 CO -0.00 -0.64 1.87 -1.49 0.04 0.00 0.00 177.00 176.77 3sqc h TRP 142 N 7.53 0.93 0.00 0.56 4.06 -1.96 -2.58 115.95 124.48 3sqc h TRP 142 Ca -0.42 0.03 0.00 0.00 2.06 0.00 0.00 58.89 60.55 3sqc h TRP 142 Cb 1.20 -0.29 0.00 0.00 -1.00 0.00 0.00 29.16 29.07 3sqc h TRP 142 CO 0.71 0.37 0.00 -0.85 -3.56 0.00 0.00 178.44 175.11 3sqc n GLU 143 N -4.57 0.03 -0.07 0.49 0.00 -1.26 -1.37 120.64 113.89 3sqc n GLU 143 Ca 0.17 0.34 0.11 0.00 0.00 0.00 0.00 57.16 57.78 3sqc n GLU 143 Cb 0.41 -1.50 0.13 0.00 0.00 0.00 0.00 31.44 30.47 3sqc n GLU 143 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 3sqc n LYS 144 N -1.42 2.09 -3.63 3.44 5.02 -0.97 -4.88 118.16 117.81 3sqc n LYS 144 Ca 0.02 -1.91 -0.37 0.00 -2.02 0.00 0.00 58.31 54.02 3sqc n LYS 144 Cb 0.06 -1.42 -0.10 0.00 -0.02 0.00 0.00 35.03 33.54 3sqc n LYS 144 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3sqc s VAL 145 N -1.61 5.31 -0.16 -0.18 1.01 -0.47 -5.04 120.40 119.26 3sqc s VAL 145 Ca 0.28 0.17 -0.38 0.00 0.00 0.00 0.00 61.98 62.05 3sqc s VAL 145 Cb 0.19 -3.50 -0.15 0.00 0.00 0.00 0.00 36.38 32.91 3sqc s VAL 145 CO 0.27 0.30 1.71 -2.65 0.00 0.00 0.00 175.10 174.73 3sqc n PRO 146 N 4.70 1.43 -2.52 2.72 -0.02 -1.26 -4.93 135.00 135.13 3sqc n PRO 146 Ca -0.15 0.52 -0.35 0.00 -2.02 0.00 0.00 63.50 61.51 3sqc n PRO 146 Cb 0.52 -2.24 -0.03 0.00 -0.02 0.00 0.00 33.50 31.72 3sqc n PRO 146 CO 0.00 0.00 0.00 -1.64 1.98 0.00 0.00 175.50 175.84 3sqc s MET 147 N 3.10 3.96 -0.20 -0.52 -1.94 -1.26 -4.81 119.30 117.64 3sqc s MET 147 Ca 0.94 1.47 -0.05 0.00 -1.71 0.00 0.00 55.69 56.34 3sqc s MET 147 Cb -0.95 -2.33 0.07 0.00 2.01 0.00 0.00 34.83 33.63 3sqc s MET 147 CO 0.58 -0.31 0.10 0.08 -0.01 0.00 0.00 175.02 175.46 3sqc s VAL 148 N -1.79 -0.05 0.26 -6.03 1.01 -1.26 -4.90 120.40 107.64 3sqc s VAL 148 Ca 0.63 -0.33 -0.21 0.00 0.00 0.00 0.00 61.98 62.07 3sqc s VAL 148 Cb -0.20 -0.69 -0.09 0.00 0.00 0.00 0.00 36.38 35.40 3sqc s VAL 148 CO 0.25 -0.38 0.79 -2.16 0.00 0.00 0.00 175.10 173.59 3sqc s PRO 149 N 2.11 4.32 0.61 2.72 0.04 -1.26 -4.37 135.00 139.17 3sqc s PRO 149 Ca 0.04 0.98 0.35 0.00 0.04 0.00 0.00 61.00 62.41 3sqc s PRO 149 Cb -0.16 -2.80 1.96 0.00 0.04 0.00 0.00 34.50 33.54 3sqc s PRO 149 CO -0.16 0.33 2.25 -1.00 0.04 0.00 0.00 177.00 178.47 3sqc h PRO 150 N 3.22 0.00 0.00 0.56 0.13 -1.93 -1.79 132.00 132.19 3sqc h PRO 150 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 3sqc h PRO 150 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 3sqc h PRO 150 CO 0.65 0.02 0.00 0.93 -0.23 0.00 0.00 178.00 179.37 3sqc h GLU 151 N 0.00 0.00 -0.03 0.86 3.07 -1.91 -0.89 114.58 115.68 3sqc h GLU 151 Ca -0.00 0.00 0.01 0.00 -0.50 0.00 0.00 59.36 58.87 3sqc h GLU 151 Cb 0.09 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.00 3sqc h GLU 151 CO 0.00 0.00 0.15 0.97 -1.40 0.00 0.00 179.01 178.74 3sqc h ILE 152 N 0.00 0.10 0.00 3.13 2.10 -1.72 0.59 117.51 121.71 3sqc h ILE 152 Ca 0.00 0.00 -0.02 0.00 1.08 0.00 0.00 64.86 65.92 3sqc h ILE 152 Cb 0.06 0.85 -0.00 0.00 -1.09 0.00 0.00 36.82 36.64 3sqc h ILE 152 CO 0.00 0.00 -0.10 0.24 -1.08 0.00 0.00 178.15 177.21 3sqc h MET 153 N 0.00 0.00 0.00 2.19 2.86 -1.39 -2.86 114.93 115.73 3sqc h MET 153 Ca 0.02 0.00 -0.05 0.00 -2.06 0.00 0.00 59.70 57.61 3sqc h MET 153 Cb 0.32 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.97 3sqc h MET 153 CO -0.00 0.10 -0.23 0.74 1.06 0.00 0.00 176.91 178.58 3sqc h PHE 154 N 0.00 0.00 -2.52 -0.22 0.04 -1.10 -3.45 116.94 109.69 3sqc h PHE 154 Ca -0.00 0.00 -0.54 0.00 2.80 0.00 0.00 57.97 60.23 3sqc h PHE 154 Cb 0.28 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.43 3sqc h PHE 154 CO 0.00 0.23 1.15 -0.51 -0.60 0.00 0.00 178.31 178.58 3sqc s LEU 155 N -6.53 4.32 1.11 1.54 1.43 -1.08 -4.98 118.68 114.49 3sqc s LEU 155 Ca 0.03 2.35 -0.16 0.00 -1.03 0.00 0.00 54.13 55.32 3sqc s LEU 155 Cb 0.08 -3.53 0.24 0.00 0.03 0.00 0.00 46.19 43.01 3sqc s LEU 155 CO 0.66 -1.01 1.10 -0.83 0.23 0.00 0.00 176.35 176.50 3sqc s GLY 156 N 3.87 1.57 0.26 -3.19 0.00 -1.26 -4.64 107.32 103.92 3sqc s GLY 156 Ca 0.79 -0.65 -0.03 0.00 0.00 0.00 0.00 44.72 44.83 3sqc s GLY 156 CO 0.34 0.10 1.67 0.50 0.00 0.00 0.00 173.10 175.71 3sqc h LYS 157 N -2.27 0.25 -0.01 2.90 1.57 -1.99 -2.45 116.57 114.57 3sqc h LYS 157 Ca -0.50 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.26 3sqc h LYS 157 Cb 1.32 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 33.57 3sqc h LYS 157 CO 0.46 0.16 -0.43 2.89 -0.57 0.00 0.00 179.45 181.97 3sqc n ARG 158 N -5.18 0.82 -2.42 3.15 0.00 -1.26 -4.93 116.66 106.84 3sqc n ARG 158 Ca 0.16 -0.58 -0.41 0.00 -0.00 0.00 0.00 57.85 57.02 3sqc n ARG 158 Cb 0.52 -1.49 -0.04 0.00 -0.00 0.00 0.00 32.46 31.45 3sqc n ARG 158 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.63 175.99 3sqc s MET 159 N -2.59 4.57 0.40 2.89 -1.94 -0.92 -4.99 119.30 116.72 3sqc s MET 159 Ca 0.19 1.86 -0.27 0.00 -1.71 0.00 0.00 55.69 55.76 3sqc s MET 159 Cb 0.18 -3.20 -0.10 0.00 2.01 0.00 0.00 34.83 33.72 3sqc s MET 159 CO 0.59 0.08 1.38 -0.35 -0.01 0.00 0.00 175.02 176.70 3sqc n PRO 160 N 1.63 2.27 -1.02 2.03 -0.04 -1.26 -2.40 135.00 136.20 3sqc n PRO 160 Ca 0.01 0.80 -0.01 0.00 -0.04 0.00 0.00 63.50 64.26 3sqc n PRO 160 Cb 0.45 -2.52 -0.00 0.00 -0.04 0.00 0.00 33.50 31.39 3sqc n PRO 160 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 3sqc n LEU 161 N 0.30 0.37 -4.77 1.53 4.77 -1.26 -5.01 117.00 112.93 3sqc n LEU 161 Ca 0.04 0.02 -0.35 0.00 -0.03 0.00 0.00 56.01 55.69 3sqc n LEU 161 Cb 0.39 -1.43 0.01 0.00 -2.33 0.00 0.00 43.42 40.06 3sqc n LEU 161 CO 0.61 -0.46 0.78 0.54 -1.33 0.00 0.00 177.39 177.52 3sqc s ASN 162 N -2.07 5.61 0.61 -1.43 2.20 -1.01 -4.88 114.94 113.97 3sqc s ASN 162 Ca 0.00 2.15 0.28 0.00 -0.94 0.00 0.00 52.86 54.34 3sqc s ASN 162 Cb 0.00 -2.58 1.38 0.00 -2.00 0.00 0.00 41.25 38.06 3sqc s ASN 162 CO 0.00 -1.30 1.79 0.16 -2.94 0.00 0.00 177.10 174.82 3sqc h ILE 163 N 0.98 0.24 -0.06 0.54 3.07 -1.82 -1.48 117.51 118.98 3sqc h ILE 163 Ca -0.49 0.00 0.00 0.00 1.55 0.00 0.00 64.86 65.92 3sqc h ILE 163 Cb 1.26 0.53 0.00 0.00 -0.27 0.00 0.00 36.82 38.34 3sqc h ILE 163 CO 0.56 0.00 0.00 -1.22 -1.05 0.00 0.00 178.15 176.44 3sqc n TYR 164 N -3.47 0.08 0.95 0.16 4.01 -1.26 -2.79 117.16 114.84 3sqc n TYR 164 Ca 0.08 -0.04 0.10 0.00 -0.16 0.00 0.00 57.90 57.89 3sqc n TYR 164 Cb 0.74 0.00 -0.06 0.00 -0.31 0.00 0.00 39.34 39.71 3sqc n TYR 164 CO 0.00 0.00 0.00 0.39 -0.46 0.00 0.00 176.86 176.79 3sqc n GLU 165 N -0.34 0.03 -2.80 -0.72 1.02 -0.56 -4.93 120.64 112.34 3sqc n GLU 165 Ca 0.03 -0.01 -0.25 0.00 -0.02 0.00 0.00 57.16 56.92 3sqc n GLU 165 Cb 0.06 -1.50 0.01 0.00 -0.02 0.00 0.00 31.44 29.99 3sqc n GLU 165 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 3sqc s PHE 166 N -3.03 3.31 0.60 -0.32 0.40 -1.12 -4.63 117.98 113.20 3sqc s PHE 166 Ca 0.08 0.45 -0.13 0.00 -0.60 0.00 0.00 56.93 56.73 3sqc s PHE 166 Cb 0.16 -2.39 -0.04 0.00 0.51 0.00 0.00 43.02 41.25 3sqc s PHE 166 CO 0.84 -0.44 1.03 0.20 0.70 0.00 0.00 175.22 177.55 3sqc s GLY 167 N -4.21 1.79 0.17 4.36 0.00 0.58 -4.77 107.32 105.25 3sqc s GLY 167 Ca 0.49 0.04 -0.26 0.00 0.00 0.00 0.00 44.72 44.98 3sqc s GLY 167 CO 0.41 0.32 1.48 1.44 0.00 0.00 0.00 173.10 176.74 3sqc n SER 168 N -2.48 -0.91 -0.21 1.64 7.64 -1.26 -1.25 113.62 116.79 3sqc n SER 168 Ca 0.07 1.69 -0.01 0.00 1.01 0.00 0.00 58.87 61.63 3sqc n SER 168 Cb 0.54 -0.26 0.10 0.00 -1.01 0.00 0.00 64.21 63.58 3sqc n SER 168 CO 0.00 0.00 0.00 4.11 -3.01 0.00 0.00 175.04 176.14 3sqc h TRP 169 N 0.00 0.50 -0.38 1.43 0.09 -1.95 -2.95 115.95 112.68 3sqc h TRP 169 Ca 0.20 0.03 -0.11 0.00 0.09 0.00 0.00 58.89 59.09 3sqc h TRP 169 Cb 0.44 -0.13 -0.01 0.00 0.08 0.00 0.00 29.16 29.54 3sqc h TRP 169 CO -0.95 0.18 -0.20 0.00 0.09 0.00 0.00 178.44 177.56 3sqc h ALA 170 N 1.38 0.54 -0.59 0.11 0.00 -1.49 -3.28 119.26 115.92 3sqc h ALA 170 Ca 0.30 -0.37 0.10 0.00 0.00 0.00 0.00 54.91 54.93 3sqc h ALA 170 Cb 0.30 -0.13 -0.11 0.00 0.00 0.00 0.00 17.79 17.85 3sqc h ALA 170 CO -0.25 0.50 -0.39 -0.09 0.00 0.00 0.00 179.25 179.02 3sqc h ARG 171 N 0.61 -0.18 -0.50 0.00 2.43 -0.99 -0.10 114.38 115.64 3sqc h ARG 171 Ca 0.08 0.01 -0.12 0.00 -0.81 0.00 0.00 59.98 59.15 3sqc h ARG 171 Cb 0.76 0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 30.34 3sqc h ARG 171 CO 0.06 -0.12 -0.14 0.00 -1.51 0.00 0.00 179.97 178.25 3sqc h ALA 172 N 0.82 0.79 -0.39 2.80 0.00 -1.67 -2.31 119.26 119.28 3sqc h ALA 172 Ca 0.21 -0.36 -0.00 0.00 0.00 0.00 0.00 54.91 54.76 3sqc h ALA 172 Cb 0.56 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 3sqc h ALA 172 CO -0.69 0.66 0.23 1.15 0.00 0.00 0.00 179.25 180.61 3sqc h THR 173 N 0.86 1.13 0.32 0.00 2.02 -1.45 0.71 112.91 116.49 3sqc h THR 173 Ca 0.13 -0.31 -0.01 0.00 0.77 0.00 0.00 66.41 66.99 3sqc h THR 173 Cb 0.70 0.62 -0.01 0.00 -1.74 0.00 0.00 68.15 67.72 3sqc h THR 173 CO 0.05 0.13 -0.22 0.58 0.37 0.00 0.00 175.52 176.43 3sqc h VAL 174 N 0.52 0.53 -0.07 3.16 2.07 -0.89 0.19 116.25 121.76 3sqc h VAL 174 Ca 0.14 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.69 3sqc h VAL 174 Cb 0.01 0.53 -0.03 0.00 -1.52 0.00 0.00 31.29 30.28 3sqc h VAL 174 CO -0.03 0.00 -0.10 0.58 0.02 0.00 0.00 177.57 178.05 3sqc h VAL 175 N -0.53 0.73 -0.37 2.57 2.07 -1.29 0.20 116.25 119.62 3sqc h VAL 175 Ca -0.03 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.53 3sqc h VAL 175 Cb 0.46 0.73 -0.04 0.00 -1.52 0.00 0.00 31.29 30.92 3sqc h VAL 175 CO 0.01 0.00 0.16 0.00 0.02 0.00 0.00 177.57 177.76 3sqc h ALA 176 N 0.90 0.45 -0.20 1.67 0.00 -0.71 -2.70 119.26 118.68 3sqc h ALA 176 Ca 0.06 0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.94 3sqc h ALA 176 Cb 0.22 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 3sqc h ALA 176 CO -0.15 -0.22 -0.16 -0.07 0.00 0.00 0.00 179.25 178.65 3sqc h LEU 177 N 0.34 0.31 -1.85 0.00 3.38 -0.21 -2.74 115.31 114.54 3sqc h LEU 177 Ca 0.16 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.06 3sqc h LEU 177 Cb 0.10 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 3sqc h LEU 177 CO -0.14 0.50 0.10 0.77 0.09 0.00 0.00 178.44 179.76 3sqc h SER 178 N 0.30 0.17 -0.12 -0.43 4.64 -0.27 0.46 113.55 118.31 3sqc h SER 178 Ca 0.06 -0.00 -0.23 0.00 -0.47 0.00 0.00 61.79 61.14 3sqc h SER 178 Cb 0.46 -0.04 0.01 0.00 -0.31 0.00 0.00 62.40 62.52 3sqc h SER 178 CO 0.03 0.13 -0.82 0.40 -0.87 0.00 0.00 176.83 175.70 3sqc h ILE 179 N 0.20 1.28 -0.24 0.95 2.04 -1.48 -1.26 117.51 119.01 3sqc h ILE 179 Ca 0.06 -2.02 -0.07 0.00 1.00 0.00 0.00 64.86 63.84 3sqc h ILE 179 Cb -0.02 2.04 -0.01 0.00 -0.74 0.00 0.00 36.82 38.10 3sqc h ILE 179 CO -0.01 0.64 -0.11 0.58 0.00 0.00 0.00 178.15 179.24 3sqc h VAL 180 N 0.52 1.30 -0.43 1.67 2.07 -1.16 -3.01 116.25 117.20 3sqc h VAL 180 Ca -0.06 -1.19 -0.07 0.00 0.82 0.00 0.00 66.70 66.20 3sqc h VAL 180 Cb 1.45 1.58 -0.02 0.00 -1.52 0.00 0.00 31.29 32.78 3sqc h VAL 180 CO 0.17 0.37 -0.03 -0.03 0.02 0.00 0.00 177.57 178.06 3sqc h MET 181 N 0.21 0.72 -0.34 1.57 4.05 -0.19 -0.59 114.93 120.37 3sqc h MET 181 Ca 0.05 -0.20 0.01 0.00 -0.28 0.00 0.00 59.70 59.28 3sqc h MET 181 Cb 0.61 -0.08 -0.02 0.00 -0.80 0.00 0.00 31.60 31.31 3sqc h MET 181 CO 0.03 0.76 0.23 1.03 0.23 0.00 0.00 176.91 179.19 3sqc h SER 182 N 0.67 0.37 0.00 1.39 0.87 -1.12 -3.00 113.55 112.74 3sqc h SER 182 Ca 0.13 -0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.68 3sqc h SER 182 Cb 0.46 -0.09 0.00 0.00 -0.44 0.00 0.00 62.40 62.33 3sqc h SER 182 CO 0.02 0.27 -1.36 0.54 -0.53 0.00 0.00 176.83 175.77 3sqc n ARG 183 N -4.49 0.53 -3.69 2.24 5.12 -0.95 -5.02 116.66 110.40 3sqc n ARG 183 Ca 0.02 -0.08 -0.25 0.00 -1.93 0.00 0.00 57.85 55.62 3sqc n ARG 183 Cb 0.09 -1.46 0.01 0.00 -1.16 0.00 0.00 32.46 29.94 3sqc n ARG 183 CO 0.00 0.00 0.00 1.04 -1.93 0.00 0.00 177.63 176.74 3sqc n GLN 184 N -1.78 -0.74 -2.22 5.56 6.02 -0.27 -4.90 117.38 119.05 3sqc n GLN 184 Ca 0.01 0.16 -0.31 0.00 -0.01 0.00 0.00 57.00 56.85 3sqc n GLN 184 Cb 0.40 -1.39 -0.01 0.00 1.02 0.00 0.00 30.24 30.26 3sqc n GLN 184 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 3sqc s PRO 185 N -5.40 3.74 -0.06 -1.09 0.04 -1.26 -5.09 135.00 125.89 3sqc s PRO 185 Ca 0.17 0.76 0.01 0.00 0.04 0.00 0.00 61.00 61.98 3sqc s PRO 185 Cb -0.10 -2.15 0.02 0.00 0.04 0.00 0.00 34.50 32.31 3sqc s PRO 185 CO 0.63 -0.38 -0.05 0.08 0.04 0.00 0.00 177.00 177.32 3sqc s VAL 186 N -2.86 0.61 -0.55 -0.36 1.01 -1.26 -4.57 120.40 112.41 3sqc s VAL 186 Ca 0.56 -0.13 0.01 0.00 0.00 0.00 0.00 61.98 62.42 3sqc s VAL 186 Cb -0.10 -0.64 0.14 0.00 0.00 0.00 0.00 36.38 35.77 3sqc s VAL 186 CO 0.43 0.26 0.32 -0.36 0.00 0.00 0.00 175.10 175.75 3sqc s PHE 187 N 1.14 3.30 0.38 5.22 0.08 0.51 -4.95 117.98 123.67 3sqc s PHE 187 Ca -0.07 -2.97 -0.26 0.00 0.12 0.00 0.00 56.93 53.75 3sqc s PHE 187 Cb -0.14 -2.99 -0.12 0.00 -0.57 0.00 0.00 43.02 39.21 3sqc s PHE 187 CO -0.01 -0.79 1.06 -2.30 -0.10 0.00 0.00 175.22 173.08 3sqc n PRO 188 N 3.32 1.49 -3.17 0.24 -0.02 -1.25 -4.25 135.00 131.36 3sqc n PRO 188 Ca 0.06 0.53 -0.28 0.00 -2.02 0.00 0.00 63.50 61.80 3sqc n PRO 188 Cb 0.35 -2.05 -0.02 0.00 -0.02 0.00 0.00 33.50 31.76 3sqc n PRO 188 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3sqc s LEU 189 N -0.41 3.95 0.49 2.45 1.43 -1.23 -5.02 118.68 120.34 3sqc s LEU 189 Ca 0.61 0.74 -0.22 0.00 -1.03 0.00 0.00 54.13 54.22 3sqc s LEU 189 Cb -0.59 -3.59 -0.06 0.00 0.03 0.00 0.00 46.19 41.97 3sqc s LEU 189 CO 0.58 -0.30 1.25 -2.16 0.23 0.00 0.00 176.35 175.95 3sqc s PRO 190 N -3.95 3.51 0.44 1.29 0.04 -1.26 -4.86 135.00 130.20 3sqc s PRO 190 Ca 0.44 1.97 0.28 0.00 0.04 0.00 0.00 61.00 63.73 3sqc s PRO 190 Cb -0.10 -2.35 1.36 0.00 0.04 0.00 0.00 34.50 33.45 3sqc s PRO 190 CO 0.34 -0.81 1.68 0.93 0.04 0.00 0.00 177.00 179.17 3sqc h GLU 191 N 1.81 0.16 -0.54 4.56 5.08 -2.00 -0.75 114.58 122.91 3sqc h GLU 191 Ca -0.50 -0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 57.82 3sqc h GLU 191 Cb 1.27 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 30.46 3sqc h GLU 191 CO 0.59 0.11 0.20 -0.09 -1.00 0.00 0.00 179.01 178.82 3sqc h ARG 192 N 0.16 0.78 -0.58 2.33 2.43 -1.99 -3.11 114.38 114.41 3sqc h ARG 192 Ca 0.74 -0.12 0.00 0.00 -0.81 0.00 0.00 59.98 59.79 3sqc h ARG 192 Cb 2.29 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 31.71 3sqc h ARG 192 CO -0.33 0.65 0.00 0.00 -1.51 0.00 0.00 179.97 178.79 3sqc n ALA 193 N -2.46 2.41 -1.76 2.80 0.00 -0.29 -4.98 120.51 116.23 3sqc n ALA 193 Ca 0.04 -1.02 -0.38 0.00 0.00 0.00 0.00 53.44 52.09 3sqc n ALA 193 Cb 0.17 -0.95 0.02 0.00 0.00 0.00 0.00 19.45 18.68 3sqc n ALA 193 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3sqc s ARG 194 N -1.23 3.48 -0.47 0.00 1.81 -1.18 -4.67 118.95 116.69 3sqc s ARG 194 Ca 0.39 2.11 0.06 0.00 -1.72 0.00 0.00 55.73 56.56 3sqc s ARG 194 Cb 0.20 -2.40 0.40 0.00 -0.45 0.00 0.00 34.95 32.70 3sqc s ARG 194 CO 0.27 -0.88 1.05 1.33 -0.68 0.00 0.00 175.30 176.39 3sqc n VAL 195 N -0.64 2.42 0.30 3.52 0.24 -1.26 -4.85 118.33 118.06 3sqc n VAL 195 Ca 0.08 -5.00 0.18 0.00 -2.04 0.00 0.00 64.34 57.56 3sqc n VAL 195 Cb 0.45 -1.17 0.97 0.00 -1.47 0.00 0.00 33.84 32.63 3sqc n VAL 195 CO 0.00 0.00 0.00 1.55 -2.14 0.00 0.00 176.83 176.24 3sqc h PRO 196 N 2.72 0.00 0.00 7.34 0.13 -1.94 -2.62 132.00 137.62 3sqc h PRO 196 Ca 0.23 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.36 3sqc h PRO 196 Cb 0.83 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.96 3sqc h PRO 196 CO 0.81 0.03 0.03 -0.85 -0.23 0.00 0.00 178.00 177.79 3sqc n GLU 197 N -3.47 0.11 0.19 0.86 0.00 -1.26 -1.64 120.64 115.43 3sqc n GLU 197 Ca -0.02 0.60 0.13 0.00 0.00 0.00 0.00 57.16 57.87 3sqc n GLU 197 Cb 0.13 -1.89 0.36 0.00 0.00 0.00 0.00 31.44 30.03 3sqc n GLU 197 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.13 177.06 3sqc h LEU 198 N 0.00 0.00 0.01 -1.84 3.38 -1.89 -3.06 115.31 111.90 3sqc h LEU 198 Ca 0.00 0.00 -0.29 0.00 0.09 0.00 0.00 57.88 57.68 3sqc h LEU 198 Cb 0.07 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.77 3sqc h LEU 198 CO 0.00 0.00 -1.65 1.88 0.09 0.00 0.00 178.44 178.76 3sqc h TYR 199 N 0.00 0.03 -0.32 1.13 0.05 -1.55 -1.49 116.97 114.82 3sqc h TYR 199 Ca 0.00 -0.02 -0.06 0.00 0.05 0.00 0.00 58.73 58.70 3sqc h TYR 199 Cb 0.78 -0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.51 3sqc h TYR 199 CO 0.00 1.04 0.17 -1.21 -1.05 0.00 0.00 178.16 177.11 3sqc s GLU 200 N -2.61 1.60 -0.23 4.88 2.02 -1.16 -4.82 118.70 118.39 3sqc s GLU 200 Ca -0.05 0.01 -0.19 0.00 0.02 0.00 0.00 54.97 54.75 3sqc s GLU 200 Cb 0.08 -4.91 0.06 0.00 0.10 0.00 0.00 34.13 29.47 3sqc s GLU 200 CO 0.82 -4.67 0.60 0.99 0.02 0.00 0.00 175.26 173.02 3sqc s THR 201 N 14.85 -0.00 -0.11 3.63 2.01 -1.26 -4.86 115.64 129.90 3sqc s THR 201 Ca 0.85 0.01 0.17 0.00 0.31 0.00 0.00 61.69 63.02 3sqc s THR 201 Cb -0.09 -0.84 -0.16 0.00 0.01 0.00 0.00 72.50 71.42 3sqc s THR 201 CO 0.11 0.00 0.75 -0.90 -0.69 0.00 0.00 174.62 173.88 3sqc n ASP 202 N 3.09 0.78 -4.75 3.53 5.75 -1.26 -4.93 116.55 118.75 3sqc n ASP 202 Ca -0.15 0.35 -0.41 0.00 -0.01 0.00 0.00 54.79 54.56 3sqc n ASP 202 Cb 0.56 0.25 -0.01 0.00 -1.03 0.00 0.00 41.12 40.89 3sqc n ASP 202 CO 0.00 0.00 0.00 0.52 -0.11 0.00 0.00 177.20 177.61 3sqc n VAL 203 N -2.88 1.27 -2.15 2.12 0.31 -1.26 -4.94 118.33 110.81 3sqc n VAL 203 Ca -0.12 -0.32 -0.42 0.00 -0.01 0.00 0.00 64.34 63.48 3sqc n VAL 203 Cb 0.87 -1.98 -0.03 0.00 -0.91 0.00 0.00 33.84 31.80 3sqc n VAL 203 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 3sqc s PRO 204 N -0.92 4.33 0.00 5.55 0.04 -1.26 -4.48 135.00 138.25 3sqc s PRO 204 Ca 0.61 2.11 -0.30 0.00 0.04 0.00 0.00 61.00 63.46 3sqc s PRO 204 Cb -0.49 -3.21 -0.07 0.00 0.04 0.00 0.00 34.50 30.77 3sqc s PRO 204 CO 0.52 -0.40 1.62 -1.25 0.04 0.00 0.00 177.00 177.54 3sqc s PRO 205 N 0.62 4.20 -0.95 0.56 0.04 -1.26 -4.59 135.00 133.63 3sqc s PRO 205 Ca 0.62 2.22 -0.15 0.00 0.04 0.00 0.00 61.00 63.72 3sqc s PRO 205 Cb -0.38 -3.79 0.18 0.00 0.04 0.00 0.00 34.50 30.55 3sqc s PRO 205 CO 0.34 -0.77 1.04 -0.98 0.04 0.00 0.00 177.00 176.67 3sqc s ARG 206 N 3.30 3.72 0.18 4.56 1.70 -1.26 -4.94 118.95 126.21 3sqc s ARG 206 Ca 0.72 -2.26 -0.30 0.00 -0.47 0.00 0.00 55.73 53.42 3sqc s ARG 206 Cb -0.36 -4.73 -0.08 0.00 -0.57 0.00 0.00 34.95 29.21 3sqc s ARG 206 CO 0.30 -1.55 1.28 0.50 -1.08 0.00 0.00 175.30 174.75 3sqc s ARG 207 N 1.26 4.42 -0.14 3.89 3.52 -1.26 -4.68 118.95 125.95 3sqc s ARG 207 Ca 0.29 1.99 -0.11 0.00 -0.13 0.00 0.00 55.73 57.76 3sqc s ARG 207 Cb -0.07 -3.22 -0.05 0.00 -1.56 0.00 0.00 34.95 30.06 3sqc s ARG 207 CO -0.08 -0.22 0.24 0.50 -0.81 0.00 0.00 175.30 174.93 3sqc s ARG 208 N -0.02 4.00 0.54 5.12 3.52 -1.26 -5.10 118.95 125.76 3sqc s ARG 208 Ca 0.56 0.02 0.05 0.00 -0.13 0.00 0.00 55.73 56.23 3sqc s ARG 208 Cb -0.35 -3.34 0.10 0.00 -1.56 0.00 0.00 34.95 29.80 3sqc s ARG 208 CO 0.37 0.44 0.75 0.41 -0.81 0.00 0.00 175.30 176.46 3sqc n GLY 209 N 2.87 1.45 3.60 8.12 0.00 -1.26 -4.98 105.19 114.99 3sqc n GLY 209 Ca -0.15 -2.14 -0.37 0.00 0.00 0.00 0.00 46.02 43.36 3sqc n GLY 209 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3sqc n ALA 210 N -2.62 -0.06 0.28 4.61 0.00 -1.26 -4.64 120.51 116.82 3sqc n ALA 210 Ca -0.13 -0.03 0.12 0.00 0.00 0.00 0.00 53.44 53.40 3sqc n ALA 210 Cb 0.51 -2.07 0.65 0.00 0.00 0.00 0.00 19.45 18.53 3sqc n ALA 210 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 3sqc h LYS 211 N 0.31 0.00 -0.03 0.00 1.79 -1.41 -1.98 116.57 115.25 3sqc h LYS 211 Ca -0.48 0.00 -0.10 0.00 -2.18 0.00 0.00 60.65 57.89 3sqc h LYS 211 Cb 1.37 0.00 -0.19 0.00 -1.58 0.00 0.00 32.23 31.83 3sqc h LYS 211 CO 0.49 0.00 -0.75 0.41 -1.08 0.00 0.00 179.45 178.52 3sqc n GLY 212 N -1.25 3.36 0.00 3.86 0.00 -0.68 -5.05 105.19 105.43 3sqc n GLY 212 Ca -0.02 -1.15 0.00 0.00 0.00 0.00 0.00 46.02 44.86 3sqc n GLY 212 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3sqc n GLY 213 N -0.41 -2.18 3.75 -0.02 0.00 -0.74 -4.85 105.19 100.74 3sqc n GLY 213 Ca 0.14 -1.18 -0.39 0.00 0.00 0.00 0.00 46.02 44.59 3sqc n GLY 213 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3sqc s GLY 214 N -1.39 2.58 0.05 -0.02 0.00 -1.26 -4.63 107.32 102.65 3sqc s GLY 214 Ca 0.00 0.01 -0.09 0.00 0.00 0.00 0.00 44.72 44.64 3sqc s GLY 214 CO 0.00 0.80 0.36 -0.32 0.00 0.00 0.00 173.10 173.95 3sqc s GLY 215 N 0.02 2.33 0.48 0.20 0.00 -1.26 -4.98 107.32 104.11 3sqc s GLY 215 Ca 0.31 -0.42 0.32 0.00 0.00 0.00 0.00 44.72 44.93 3sqc s GLY 215 CO 0.16 -0.19 1.94 0.11 0.00 0.00 0.00 173.10 175.12 3sqc h TRP 216 N 3.90 0.00 0.31 1.90 5.08 -1.97 -3.09 115.95 122.09 3sqc h TRP 216 Ca -0.50 0.00 -0.02 0.00 1.08 0.00 0.00 58.89 59.46 3sqc h TRP 216 Cb 1.20 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.36 3sqc h TRP 216 CO 0.67 0.00 -0.15 0.82 -1.28 0.00 0.00 178.44 178.50 3sqc h ILE 217 N 0.00 0.71 -0.68 0.12 2.04 -1.99 -0.46 117.51 117.25 3sqc h ILE 217 Ca 0.00 -0.40 -0.04 0.00 1.00 0.00 0.00 64.86 65.42 3sqc h ILE 217 Cb 0.43 0.92 -0.03 0.00 -0.74 0.00 0.00 36.82 37.40 3sqc h ILE 217 CO 0.00 0.08 0.27 -0.26 0.00 0.00 0.00 178.15 178.24 3sqc h PHE 218 N -0.64 1.01 -0.88 1.37 0.04 -1.92 0.47 116.94 116.39 3sqc h PHE 218 Ca -0.04 -0.06 0.06 0.00 2.80 0.00 0.00 57.97 60.72 3sqc h PHE 218 Cb 0.46 -0.31 -0.06 0.00 2.20 0.00 0.00 35.95 38.24 3sqc h PHE 218 CO -0.00 0.77 0.55 0.22 -0.60 0.00 0.00 178.31 179.26 3sqc h ASP 219 N 0.99 0.88 0.02 2.17 3.58 -1.44 0.66 116.42 123.28 3sqc h ASP 219 Ca 0.23 0.01 -0.00 0.00 0.42 0.00 0.00 57.03 57.69 3sqc h ASP 219 Cb 0.19 -0.18 0.00 0.00 1.72 0.00 0.00 39.33 41.06 3sqc h ASP 219 CO -0.02 0.57 -0.01 0.00 -2.88 0.00 0.00 179.24 176.90 3sqc h ALA 220 N 1.40 -0.03 -0.71 -0.78 0.00 0.13 -2.95 119.26 116.33 3sqc h ALA 220 Ca 0.38 -0.30 0.15 0.00 0.00 0.00 0.00 54.91 55.14 3sqc h ALA 220 Cb 0.14 0.01 -0.11 0.00 0.00 0.00 0.00 17.79 17.83 3sqc h ALA 220 CO -0.16 -0.21 0.13 1.25 0.00 0.00 0.00 179.25 180.26 3sqc h LEU 221 N -0.64 -0.06 -0.09 0.00 5.85 0.36 -0.48 115.31 120.25 3sqc h LEU 221 Ca -0.00 0.15 0.03 0.00 0.84 0.00 0.00 57.88 58.90 3sqc h LEU 221 Cb 0.60 0.21 -0.03 0.00 0.37 0.00 0.00 40.66 41.82 3sqc h LEU 221 CO 0.00 -0.06 -0.10 -0.78 -0.34 0.00 0.00 178.44 177.16 3sqc h ASP 222 N 0.23 -0.32 -0.14 1.25 3.58 0.32 -0.17 116.42 121.17 3sqc h ASP 222 Ca 0.39 0.06 -0.01 0.00 0.42 0.00 0.00 57.03 57.90 3sqc h ASP 222 Cb 0.66 0.16 -0.01 0.00 1.72 0.00 0.00 39.33 41.85 3sqc h ASP 222 CO -0.51 -0.14 0.08 0.03 -2.88 0.00 0.00 179.24 175.81 3sqc h ARG 223 N -0.13 0.22 -0.07 0.28 3.08 -1.00 0.08 114.38 116.84 3sqc h ARG 223 Ca 0.07 -0.02 -0.01 0.00 0.07 0.00 0.00 59.98 60.09 3sqc h ARG 223 Cb 0.23 -0.05 -0.00 0.00 0.08 0.00 0.00 29.97 30.23 3sqc h ARG 223 CO -0.17 0.18 -0.01 0.00 -1.07 0.00 0.00 179.97 178.90 3sqc h ALA 224 N 1.86 0.10 -0.92 0.04 0.00 -0.34 -1.86 119.26 118.13 3sqc h ALA 224 Ca 0.06 -0.19 0.09 0.00 0.00 0.00 0.00 54.91 54.87 3sqc h ALA 224 Cb 0.03 -0.03 -0.07 0.00 0.00 0.00 0.00 17.79 17.72 3sqc h ALA 224 CO -0.01 -0.20 0.57 -0.07 0.00 0.00 0.00 179.25 179.54 3sqc h LEU 225 N -0.18 0.86 -1.03 0.00 3.38 0.69 0.47 115.31 119.51 3sqc h LEU 225 Ca 0.02 0.03 -0.10 0.00 0.09 0.00 0.00 57.88 57.92 3sqc h LEU 225 Cb 0.38 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 3sqc h LEU 225 CO 0.01 0.51 -0.47 0.45 0.09 0.00 0.00 178.44 179.02 3sqc h HIS 226 N 0.97 0.03 0.01 1.13 3.86 -0.97 -0.08 115.15 120.11 3sqc h HIS 226 Ca 0.43 -0.01 -0.00 0.00 -1.16 0.00 0.00 60.37 59.63 3sqc h HIS 226 Cb 0.31 -0.01 0.00 0.00 1.06 0.00 0.00 27.41 28.78 3sqc h HIS 226 CO -0.03 0.50 -0.01 0.78 0.86 0.00 0.00 177.93 180.03 3sqc h GLY 227 N 1.41 -0.02 1.35 2.45 0.00 -0.12 -3.00 103.07 105.14 3sqc h GLY 227 Ca -0.00 0.01 0.09 0.00 0.00 0.00 0.00 47.33 47.42 3sqc h GLY 227 CO 0.06 -0.01 0.24 -1.82 0.00 0.00 0.00 176.54 175.02 3sqc h TYR 228 N -0.59 0.05 0.00 5.60 3.20 -0.00 0.12 116.97 125.35 3sqc h TYR 228 Ca -0.00 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.86 3sqc h TYR 228 Cb 0.57 -0.02 -0.00 0.00 1.54 0.00 0.00 36.73 38.82 3sqc h TYR 228 CO 0.12 0.03 -0.07 1.96 -1.64 0.00 0.00 178.16 178.56 3sqc h GLN 229 N 0.05 0.00 -0.02 1.82 1.08 -0.86 -2.70 115.11 114.48 3sqc h GLN 229 Ca 0.16 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.36 3sqc h GLN 229 Cb 0.58 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.01 3sqc h GLN 229 CO -0.01 0.07 -0.22 1.63 -0.95 0.00 0.00 178.83 179.35 3sqc n LYS 230 N -3.50 1.47 -2.05 1.46 5.02 0.42 -4.95 118.16 116.03 3sqc n LYS 230 Ca -0.02 -1.09 -0.34 0.00 -2.02 0.00 0.00 58.31 54.84 3sqc n LYS 230 Cb 0.19 -1.48 0.02 0.00 -0.02 0.00 0.00 35.03 33.74 3sqc n LYS 230 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3sqc s LEU 231 N -2.28 3.59 0.32 -0.35 1.43 -1.02 -4.95 118.68 115.42 3sqc s LEU 231 Ca 0.26 2.07 0.13 0.00 -1.03 0.00 0.00 54.13 55.56 3sqc s LEU 231 Cb 0.19 -4.56 0.51 0.00 0.03 0.00 0.00 46.19 42.36 3sqc s LEU 231 CO 0.45 -1.36 1.68 -1.28 0.23 0.00 0.00 176.35 176.07 3sqc h SER 232 N 0.69 0.00 -4.19 2.29 0.87 -1.92 -3.44 113.55 107.85 3sqc h SER 232 Ca -0.48 0.00 -0.45 0.00 -1.23 0.00 0.00 61.79 59.62 3sqc h SER 232 Cb 1.25 0.00 -0.28 0.00 -0.44 0.00 0.00 62.40 62.93 3sqc h SER 232 CO 0.56 0.51 -0.80 0.68 -0.53 0.00 0.00 176.83 177.25 3sqc s VAL 233 N -3.70 1.02 -0.32 2.23 -7.23 -1.26 -5.11 120.40 106.03 3sqc s VAL 233 Ca -0.01 -0.63 -0.01 0.00 -1.81 0.00 0.00 61.98 59.52 3sqc s VAL 233 Cb 0.12 -0.87 0.10 0.00 0.56 0.00 0.00 36.38 36.30 3sqc s VAL 233 CO 0.73 0.22 0.12 -1.00 -0.31 0.00 0.00 175.10 174.86 3sqc s HIS 234 N -0.41 1.47 0.27 2.82 0.09 -1.26 -5.11 115.29 113.16 3sqc s HIS 234 Ca 0.04 -1.64 -0.31 0.00 -0.00 0.00 0.00 55.06 53.16 3sqc s HIS 234 Cb -0.05 -1.57 -0.12 0.00 -0.00 0.00 0.00 32.58 30.84 3sqc s HIS 234 CO -0.00 -0.86 1.60 -0.35 -0.00 0.00 0.00 174.74 175.13 3sqc n PRO 235 N 4.81 2.65 -1.01 8.40 -0.04 -1.26 -2.55 135.00 146.00 3sqc n PRO 235 Ca -0.02 0.94 -0.00 0.00 -0.04 0.00 0.00 63.50 64.39 3sqc n PRO 235 Cb 0.41 -2.73 -0.00 0.00 -0.04 0.00 0.00 33.50 31.14 3sqc n PRO 235 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 3sqc n PHE 236 N 2.46 0.00 0.26 0.54 3.72 -1.26 -4.91 117.46 118.27 3sqc n PHE 236 Ca 0.10 0.00 -0.14 0.00 -0.05 0.00 0.00 57.45 57.36 3sqc n PHE 236 Cb 0.36 -1.23 -0.08 0.00 -0.94 0.00 0.00 39.48 37.59 3sqc n PHE 236 CO 0.00 0.00 0.00 -0.09 -0.05 0.00 0.00 176.76 176.62 3sqc h ARG 237 N 0.39 -0.65 -0.41 -1.08 9.65 -1.93 -1.98 114.38 118.37 3sqc h ARG 237 Ca -0.01 0.04 0.12 0.00 -1.10 0.00 0.00 59.98 59.04 3sqc h ARG 237 Cb 0.61 0.15 -0.02 0.00 -1.39 0.00 0.00 29.97 29.32 3sqc h ARG 237 CO 0.01 -0.34 0.34 -0.09 2.80 0.00 0.00 179.97 182.69 3sqc h ARG 238 N -0.95 0.00 -0.03 0.20 2.43 -1.91 0.22 114.38 114.33 3sqc h ARG 238 Ca -0.07 0.00 -0.20 0.00 -0.81 0.00 0.00 59.98 58.90 3sqc h ARG 238 Cb 0.60 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.15 3sqc h ARG 238 CO 0.11 0.00 -0.83 0.00 -1.51 0.00 0.00 179.97 177.74 3sqc h ALA 239 N 1.71 0.51 -0.17 2.80 0.00 -1.94 -2.78 119.26 119.40 3sqc h ALA 239 Ca 0.20 -0.67 -0.19 0.00 0.00 0.00 0.00 54.91 54.25 3sqc h ALA 239 Cb 0.87 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.61 3sqc h ALA 239 CO -0.00 0.82 -0.67 0.00 0.00 0.00 0.00 179.25 179.40 3sqc h ALA 240 N 0.89 0.50 -0.23 0.00 0.00 0.15 -2.87 119.26 117.70 3sqc h ALA 240 Ca -0.05 -0.56 0.02 0.00 0.00 0.00 0.00 54.91 54.32 3sqc h ALA 240 Cb 1.44 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 19.15 3sqc h ALA 240 CO 0.14 0.70 0.08 0.93 0.00 0.00 0.00 179.25 181.11 3sqc h GLU 241 N 0.48 0.19 -1.00 0.00 5.08 -1.13 -2.25 114.58 115.95 3sqc h GLU 241 Ca -0.02 -0.01 0.01 0.00 -1.00 0.00 0.00 59.36 58.34 3sqc h GLU 241 Cb 1.26 -0.04 -0.05 0.00 0.50 0.00 0.00 28.75 30.42 3sqc h GLU 241 CO 0.13 0.13 0.66 0.82 -1.00 0.00 0.00 179.01 179.75 3sqc h ILE 242 N 0.20 1.26 -0.71 3.13 2.04 -1.51 0.15 117.51 122.07 3sqc h ILE 242 Ca 0.10 -0.47 0.03 0.00 1.00 0.00 0.00 64.86 65.52 3sqc h ILE 242 Cb 0.06 -0.21 -0.05 0.00 -0.74 0.00 0.00 36.82 35.89 3sqc h ILE 242 CO -0.10 0.25 0.44 0.03 0.00 0.00 0.00 178.15 178.77 3sqc h ARG 243 N 1.35 0.84 -0.17 2.37 2.47 -1.23 0.16 114.38 120.17 3sqc h ARG 243 Ca 0.36 -0.05 -0.02 0.00 -1.26 0.00 0.00 59.98 59.02 3sqc h ARG 243 Cb -0.15 -0.19 -0.01 0.00 -1.65 0.00 0.00 29.97 27.97 3sqc h ARG 243 CO -0.08 0.55 0.03 0.00 0.56 0.00 0.00 179.97 181.04 3sqc h ALA 244 N 1.31 0.22 -0.06 0.04 0.00 -0.68 -0.31 119.26 119.78 3sqc h ALA 244 Ca 0.29 -0.16 0.03 0.00 0.00 0.00 0.00 54.91 55.07 3sqc h ALA 244 Cb 0.03 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 3sqc h ALA 244 CO -0.11 -0.12 -0.12 1.25 0.00 0.00 0.00 179.25 180.14 3sqc h LEU 245 N 0.07 -0.37 -0.42 0.00 5.85 -0.20 -1.79 115.31 118.44 3sqc h LEU 245 Ca 0.05 0.06 0.01 0.00 0.84 0.00 0.00 57.88 58.84 3sqc h LEU 245 Cb 0.29 0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.47 3sqc h LEU 245 CO 0.00 -0.17 0.27 0.44 -0.34 0.00 0.00 178.44 178.64 3sqc h ASP 246 N -0.18 0.46 -0.93 1.25 3.32 -0.63 0.49 116.42 120.20 3sqc h ASP 246 Ca 0.07 -0.01 0.16 0.00 0.02 0.00 0.00 57.03 57.27 3sqc h ASP 246 Cb 0.27 -0.11 -0.10 0.00 0.22 0.00 0.00 39.33 39.61 3sqc h ASP 246 CO -0.17 0.33 0.52 -0.25 -1.72 0.00 0.00 179.24 177.96 3sqc h TRP 247 N 0.55 0.92 0.50 4.55 7.01 -0.75 -0.25 115.95 128.48 3sqc h TRP 247 Ca 0.16 0.03 -0.02 0.00 2.11 0.00 0.00 58.89 61.17 3sqc h TRP 247 Cb -0.04 -0.27 0.00 0.00 -2.10 0.00 0.00 29.16 26.75 3sqc h TRP 247 CO -0.05 0.22 -0.24 -0.07 -2.79 0.00 0.00 178.44 175.51 3sqc h LEU 248 N 0.71 -0.57 -1.47 0.65 3.38 -0.32 -3.00 115.31 114.69 3sqc h LEU 248 Ca 0.52 -0.07 0.19 0.00 0.09 0.00 0.00 57.88 58.61 3sqc h LEU 248 Cb 0.75 0.15 -0.07 0.00 0.09 0.00 0.00 40.66 41.58 3sqc h LEU 248 CO -0.37 -0.19 0.58 -0.07 0.09 0.00 0.00 178.44 178.49 3sqc h LEU 249 N -1.03 0.45 -0.80 1.67 3.38 -0.43 -0.83 115.31 117.73 3sqc h LEU 249 Ca -0.07 0.04 -0.12 0.00 0.09 0.00 0.00 57.88 57.82 3sqc h LEU 249 Cb 0.60 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.30 3sqc h LEU 249 CO 0.11 0.19 -0.40 -0.33 0.09 0.00 0.00 178.44 178.10 3sqc h GLU 250 N 0.46 0.41 -0.53 1.13 5.08 -1.06 -3.29 114.58 116.77 3sqc h GLU 250 Ca 0.46 -0.20 0.00 0.00 -1.00 0.00 0.00 59.36 58.62 3sqc h GLU 250 Cb 1.06 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.31 3sqc h GLU 250 CO -0.18 0.75 0.00 0.54 -1.00 0.00 0.00 179.01 179.11 3sqc n ARG 251 N -4.03 2.60 -1.72 2.33 1.74 -0.35 -4.98 116.66 112.24 3sqc n ARG 251 Ca -0.02 -2.44 -0.42 0.00 -0.77 0.00 0.00 57.85 54.20 3sqc n ARG 251 Cb 0.50 -1.54 -0.02 0.00 -1.02 0.00 0.00 32.46 30.38 3sqc n ARG 251 CO 0.00 0.00 0.00 0.94 -1.52 0.00 0.00 177.63 177.05 3sqc n GLN 252 N 1.57 2.56 -1.47 5.56 7.27 -0.99 -4.72 117.38 127.15 3sqc n GLN 252 Ca 0.22 0.91 -0.31 0.00 0.07 0.00 0.00 57.00 57.89 3sqc n GLN 252 Cb 0.61 -2.67 0.07 0.00 2.41 0.00 0.00 30.24 30.66 3sqc n GLN 252 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 3sqc s ALA 253 N 0.12 2.44 0.36 1.69 0.00 -0.34 -4.94 121.76 121.10 3sqc s ALA 253 Ca 0.66 0.08 0.06 0.00 0.00 0.00 0.00 51.96 52.76 3sqc s ALA 253 Cb -0.53 -3.19 0.75 0.00 0.00 0.00 0.00 23.12 20.15 3sqc s ALA 253 CO 0.47 -1.50 1.96 0.78 0.00 0.00 0.00 175.76 177.47 3sqc h GLY 254 N -0.93 0.94 1.63 0.00 0.00 -1.85 -1.49 103.07 101.37 3sqc h GLY 254 Ca -0.45 -0.30 0.00 0.00 0.00 0.00 0.00 47.33 46.59 3sqc h GLY 254 CO 0.56 0.22 0.00 2.09 0.00 0.00 0.00 176.54 179.41 3sqc n ASP 255 N -4.48 0.00 0.00 0.19 5.68 -1.26 -4.86 116.55 111.82 3sqc n ASP 255 Ca 0.10 0.04 0.00 0.00 -0.50 0.00 0.00 54.79 54.44 3sqc n ASP 255 Cb 0.22 -0.32 0.00 0.00 -1.14 0.00 0.00 41.12 39.89 3sqc n ASP 255 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3sqc n GLY 256 N 0.66 0.50 0.00 6.12 0.00 -0.56 -4.24 105.19 107.67 3sqc n GLY 256 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 3sqc n GLY 256 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3sqc n SER 257 N 0.00 0.00 -3.47 1.61 3.41 -1.26 -3.92 113.62 109.99 3sqc n SER 257 Ca 0.00 -0.40 -0.24 0.00 -0.26 0.00 0.00 58.87 57.97 3sqc n SER 257 Cb 0.00 0.00 -0.12 0.00 -0.26 0.00 0.00 64.21 63.83 3sqc n SER 257 CO 0.00 0.00 0.00 0.26 -0.16 0.00 0.00 175.04 175.14 3sqc s TRP 258 N 0.55 0.05 0.00 7.33 0.51 -1.26 -1.19 118.94 124.93 3sqc s TRP 258 Ca 0.00 -0.73 0.00 0.00 -2.12 0.00 0.00 56.10 53.25 3sqc s TRP 258 Cb 0.00 -0.71 0.00 0.00 -0.81 0.00 0.00 33.47 31.95 3sqc s TRP 258 CO 0.00 -0.87 0.00 0.41 -0.51 0.00 0.00 176.95 175.98 3sqc n GLY 259 N 5.02 1.80 2.19 0.98 0.00 -1.26 -3.73 105.19 110.18 3sqc n GLY 259 Ca -0.01 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.94 3sqc n GLY 259 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3sqc n GLY 260 N -2.00 0.67 3.26 -0.02 0.00 -1.26 -5.01 105.19 100.82 3sqc n GLY 260 Ca 0.00 -0.68 -0.18 0.00 0.00 0.00 0.00 46.02 45.16 3sqc n GLY 260 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3sqc s ILE 261 N -2.29 1.39 0.12 -0.61 -4.36 -1.24 -4.27 121.20 109.93 3sqc s ILE 261 Ca 0.00 -1.78 -0.12 0.00 -0.26 0.00 0.00 60.65 58.49 3sqc s ILE 261 Cb 0.00 -1.61 -0.10 0.00 1.25 0.00 0.00 42.46 42.01 3sqc s ILE 261 CO 0.00 -0.43 1.39 0.06 0.24 0.00 0.00 174.94 176.20 3sqc h GLN 262 N 3.41 0.87 0.02 0.37 -0.00 -1.68 -3.29 115.11 114.81 3sqc h GLN 262 Ca -0.40 -0.57 0.00 0.00 -0.00 0.00 0.00 58.65 57.69 3sqc h GLN 262 Cb 1.20 0.07 -0.01 0.00 -0.00 0.00 0.00 27.48 28.74 3sqc h GLN 262 CO 0.52 1.20 -0.15 -1.35 -0.00 0.00 0.00 178.83 179.05 3sqc h PRO 263 N 0.65 -0.20 -0.17 0.06 0.11 -1.93 0.43 132.00 130.95 3sqc h PRO 263 Ca 0.01 0.01 -0.01 0.00 0.11 0.00 0.00 66.00 66.12 3sqc h PRO 263 Cb 1.18 0.04 -0.01 0.00 0.11 0.00 0.00 31.00 32.33 3sqc h PRO 263 CO 0.13 -0.13 0.05 -1.00 -0.21 0.00 0.00 178.00 176.84 3sqc h PRO 264 N -0.20 0.24 -0.47 1.05 0.13 -1.84 -1.07 132.00 129.84 3sqc h PRO 264 Ca 0.00 -0.02 -0.01 0.00 -0.87 0.00 0.00 66.00 65.10 3sqc h PRO 264 Cb 0.21 -0.05 -0.02 0.00 0.13 0.00 0.00 31.00 31.27 3sqc h PRO 264 CO -0.09 0.22 0.26 2.35 -0.23 0.00 0.00 178.00 180.50 3sqc h TRP 265 N 0.24 0.64 -0.16 1.56 2.91 -1.52 0.45 115.95 120.07 3sqc h TRP 265 Ca 0.06 -0.02 -0.05 0.00 1.13 0.00 0.00 58.89 60.02 3sqc h TRP 265 Cb 0.08 -0.21 -0.00 0.00 -0.51 0.00 0.00 29.16 28.52 3sqc h TRP 265 CO 0.00 0.48 -0.09 0.74 -1.03 0.00 0.00 178.44 178.54 3sqc h PHE 266 N 0.62 0.40 -0.22 2.65 -1.00 -0.10 -2.53 116.94 116.75 3sqc h PHE 266 Ca 0.16 -0.10 -0.09 0.00 2.81 0.00 0.00 57.97 60.75 3sqc h PHE 266 Cb 0.05 -0.09 -0.01 0.00 3.61 0.00 0.00 35.95 39.51 3sqc h PHE 266 CO -0.02 0.68 -0.25 1.88 -1.61 0.00 0.00 178.31 178.99 3sqc h TYR 267 N 0.00 0.46 -0.12 -0.55 0.05 -1.08 -1.76 116.97 113.97 3sqc h TYR 267 Ca 0.03 -0.09 -0.00 0.00 0.05 0.00 0.00 58.73 58.72 3sqc h TYR 267 Cb 0.58 -0.11 -0.01 0.00 1.01 0.00 0.00 36.73 38.20 3sqc h TYR 267 CO 0.07 0.63 0.06 0.00 -1.05 0.00 0.00 178.16 177.88 3sqc h ALA 268 N 1.37 0.16 -0.73 3.88 0.00 -0.08 0.82 119.26 124.68 3sqc h ALA 268 Ca 0.06 -0.06 0.05 0.00 0.00 0.00 0.00 54.91 54.95 3sqc h ALA 268 Cb 0.64 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.33 3sqc h ALA 268 CO 0.05 -0.30 0.44 -0.07 0.00 0.00 0.00 179.25 179.37 3sqc h LEU 269 N 0.09 0.69 -0.32 0.00 3.38 -1.19 -0.01 115.31 117.95 3sqc h LEU 269 Ca 0.04 0.01 -0.04 0.00 0.09 0.00 0.00 57.88 57.99 3sqc h LEU 269 Cb 0.09 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 3sqc h LEU 269 CO -0.01 0.46 0.05 0.40 0.09 0.00 0.00 178.44 179.44 3sqc h ILE 270 N 0.83 1.23 -0.52 1.22 2.04 -1.00 -1.65 117.51 119.66 3sqc h ILE 270 Ca 0.31 -0.82 0.05 0.00 1.00 0.00 0.00 64.86 65.41 3sqc h ILE 270 Cb 0.11 1.14 -0.05 0.00 -0.74 0.00 0.00 36.82 37.29 3sqc h ILE 270 CO -0.15 0.27 0.25 0.00 0.00 0.00 0.00 178.15 178.52 3sqc h ALA 271 N 0.89 0.67 -0.70 1.87 0.00 -0.29 -1.26 119.26 120.44 3sqc h ALA 271 Ca 0.10 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 3sqc h ALA 271 Cb 0.35 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.05 3sqc h ALA 271 CO 0.01 -0.10 0.43 -0.07 0.00 0.00 0.00 179.25 179.51 3sqc h LEU 272 N 0.49 0.83 -0.57 0.00 3.38 -0.80 -2.17 115.31 116.47 3sqc h LEU 272 Ca 0.23 -0.04 -0.09 0.00 0.09 0.00 0.00 57.88 58.07 3sqc h LEU 272 Cb 0.16 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 3sqc h LEU 272 CO -0.18 0.64 0.01 0.50 0.09 0.00 0.00 178.44 179.50 3sqc h LYS 273 N 0.96 1.01 -0.38 1.13 1.63 -0.32 -2.12 116.57 118.49 3sqc h LYS 273 Ca 0.25 -0.32 -0.04 0.00 -0.85 0.00 0.00 60.65 59.70 3sqc h LYS 273 Cb -0.04 -0.09 -0.02 0.00 -0.60 0.00 0.00 32.23 31.47 3sqc h LYS 273 CO -0.05 1.00 0.07 0.82 -3.45 0.00 0.00 179.45 177.84 3sqc h ILE 274 N 0.90 1.18 -0.17 2.00 2.04 -0.82 -2.30 117.51 120.35 3sqc h ILE 274 Ca 0.16 -0.67 0.00 0.00 1.00 0.00 0.00 64.86 65.35 3sqc h ILE 274 Cb 0.54 0.82 0.00 0.00 -0.74 0.00 0.00 36.82 37.44 3sqc h ILE 274 CO 0.03 0.24 0.00 0.18 0.00 0.00 0.00 178.15 178.60 3sqc n LEU 275 N -4.32 1.99 -0.55 1.44 4.77 -0.86 -4.88 117.00 114.59 3sqc n LEU 275 Ca 0.02 -1.00 -0.07 0.00 -0.03 0.00 0.00 56.01 54.93 3sqc n LEU 275 Cb 0.20 -0.45 -0.03 0.00 -2.33 0.00 0.00 43.42 40.82 3sqc n LEU 275 CO 0.38 0.33 -0.07 0.47 -1.33 0.00 0.00 177.39 177.18 3sqc n ASP 276 N 0.15 -5.67 -1.81 -1.43 8.00 -0.86 -4.85 116.55 110.07 3sqc n ASP 276 Ca 0.07 0.17 -0.16 0.00 0.71 0.00 0.00 54.79 55.59 3sqc n ASP 276 Cb 0.42 -3.88 0.05 0.00 -0.02 0.00 0.00 41.12 37.70 3sqc n ASP 276 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04 3sqc n MET 277 N -0.18 1.76 0.25 -1.24 2.81 -0.83 -4.51 117.12 115.19 3sqc n MET 277 Ca -0.07 -1.58 0.17 0.00 -1.81 0.00 0.00 57.70 54.41 3sqc n MET 277 Cb 0.55 -1.62 0.70 0.00 -0.71 0.00 0.00 33.22 32.14 3sqc n MET 277 CO 0.00 0.00 0.00 1.79 1.51 0.00 0.00 175.97 179.27 3sqc h THR 278 N 0.84 0.00 -0.50 2.03 1.35 -1.87 -2.90 112.91 111.85 3sqc h THR 278 Ca 0.30 -0.39 -0.34 0.00 -0.55 0.00 0.00 66.41 65.44 3sqc h THR 278 Cb 1.23 1.32 -0.22 0.00 -1.73 0.00 0.00 68.15 68.75 3sqc h THR 278 CO 0.71 0.00 -0.33 0.00 -0.25 0.00 0.00 175.52 175.66 3sqc n GLN 279 N -2.89 2.52 -4.32 4.72 10.64 -1.26 -4.56 117.38 122.23 3sqc n GLN 279 Ca 0.01 -3.58 -0.34 0.00 -1.83 0.00 0.00 57.00 51.26 3sqc n GLN 279 Cb 0.26 -2.00 -0.09 0.00 -0.86 0.00 0.00 30.24 27.55 3sqc n GLN 279 CO 0.00 0.00 0.00 -1.58 -1.83 0.00 0.00 177.06 173.65 3sqc s HIS 280 N -3.44 3.12 0.26 2.61 2.46 -1.10 -5.01 115.29 114.20 3sqc s HIS 280 Ca 0.48 0.14 -0.05 0.00 0.47 0.00 0.00 55.06 56.10 3sqc s HIS 280 Cb 0.41 -1.73 0.51 0.00 -0.13 0.00 0.00 32.58 31.65 3sqc s HIS 280 CO -0.00 0.47 1.61 -1.35 -2.47 0.00 0.00 174.74 173.00 3sqc h PRO 281 N 4.70 0.07 -0.91 2.88 0.11 -1.94 -1.47 132.00 135.44 3sqc h PRO 281 Ca -0.50 -0.00 0.03 0.00 0.11 0.00 0.00 66.00 65.64 3sqc h PRO 281 Cb 1.18 -0.01 -0.05 0.00 0.11 0.00 0.00 31.00 32.23 3sqc h PRO 281 CO 0.56 0.04 0.60 0.00 -0.21 0.00 0.00 178.00 179.00 3sqc h ALA 282 N 1.81 1.41 0.47 -0.75 0.00 -1.96 -0.30 119.26 119.93 3sqc h ALA 282 Ca 0.46 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.30 3sqc h ALA 282 Cb 0.85 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 18.31 3sqc h ALA 282 CO -0.77 0.51 -0.23 0.35 0.00 0.00 0.00 179.25 179.12 3sqc h PHE 283 N 1.16 -0.59 -0.49 0.00 3.04 -1.53 -1.01 116.94 117.52 3sqc h PHE 283 Ca 0.36 -0.01 0.05 0.00 3.98 0.00 0.00 57.97 62.35 3sqc h PHE 283 Cb -0.01 0.19 -0.08 0.00 2.56 0.00 0.00 35.95 38.61 3sqc h PHE 283 CO -0.00 -0.28 -0.52 0.82 -2.02 0.00 0.00 178.31 176.31 3sqc h ILE 284 N -1.05 0.00 -0.99 1.41 1.08 -1.23 0.16 117.51 116.88 3sqc h ILE 284 Ca -0.06 0.00 0.10 0.00 -0.39 0.00 0.00 64.86 64.51 3sqc h ILE 284 Cb 0.57 0.00 -0.08 0.00 -3.07 0.00 0.00 36.82 34.24 3sqc h ILE 284 CO 0.11 0.00 0.63 0.50 -0.69 0.00 0.00 178.15 178.70 3sqc h LYS 285 N -0.28 1.00 -0.30 2.37 1.63 -1.13 -1.99 116.57 117.86 3sqc h LYS 285 Ca 0.08 -0.06 -0.00 0.00 -0.85 0.00 0.00 60.65 59.82 3sqc h LYS 285 Cb 0.51 -0.23 -0.01 0.00 -0.60 0.00 0.00 32.23 31.90 3sqc h LYS 285 CO -0.61 0.66 0.17 0.78 -3.45 0.00 0.00 179.45 177.00 3sqc h GLY 286 N 1.03 0.45 0.89 5.01 0.00 0.48 -1.72 103.07 109.21 3sqc h GLY 286 Ca 0.47 -0.20 -0.02 0.00 0.00 0.00 0.00 47.33 47.59 3sqc h GLY 286 CO -0.23 0.19 -0.16 -0.25 0.00 0.00 0.00 176.54 176.09 3sqc h TRP 287 N 0.38 -0.41 0.00 5.60 2.91 -0.31 -3.16 115.95 120.96 3sqc h TRP 287 Ca 0.11 -0.01 0.00 0.00 1.13 0.00 0.00 58.89 60.12 3sqc h TRP 287 Cb 0.05 0.14 0.00 0.00 -0.51 0.00 0.00 29.16 28.83 3sqc h TRP 287 CO -0.03 -0.18 0.00 1.05 -1.03 0.00 0.00 178.44 178.24 3sqc h GLU 288 N -0.56 0.00 0.00 2.65 4.11 -1.37 -2.75 114.58 116.65 3sqc h GLU 288 Ca -0.05 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.38 3sqc h GLU 288 Cb 0.41 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.66 3sqc h GLU 288 CO 0.07 0.00 -0.03 0.78 0.07 0.00 0.00 179.01 179.90 3sqc h GLY 289 N 1.65 0.00 0.73 1.06 0.00 -1.27 -3.20 103.07 102.04 3sqc h GLY 289 Ca 0.00 0.00 0.09 0.00 0.00 0.00 0.00 47.33 47.42 3sqc h GLY 289 CO 0.00 0.00 0.58 1.41 0.00 0.00 0.00 176.54 178.53 3sqc h LEU 290 N 0.00 0.83 -2.00 3.11 3.38 -1.55 -2.49 115.31 116.58 3sqc h LEU 290 Ca -0.00 0.02 0.18 0.00 0.09 0.00 0.00 57.88 58.17 3sqc h LEU 290 Cb 0.70 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.27 3sqc h LEU 290 CO 0.00 0.50 0.45 -0.33 0.09 0.00 0.00 178.44 179.15 3sqc h GLU 291 N 0.92 0.00 0.00 1.13 4.39 -1.76 -0.42 114.58 118.83 3sqc h GLU 291 Ca 0.41 0.00 -0.07 0.00 0.34 0.00 0.00 59.36 60.04 3sqc h GLU 291 Cb 0.37 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.01 3sqc h GLU 291 CO -0.18 0.00 -0.33 1.25 -1.16 0.00 0.00 179.01 178.60 3sqc h LEU 292 N 0.00 0.00 0.00 1.33 5.85 -1.68 -2.90 115.31 117.91 3sqc h LEU 292 Ca 0.30 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.02 3sqc h LEU 292 Cb 1.20 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.23 3sqc h LEU 292 CO -0.00 0.33 -0.68 -1.22 -0.34 0.00 0.00 178.44 176.53 3sqc n TYR 293 N -3.61 0.36 -2.73 1.25 4.02 -0.18 -4.90 117.16 111.38 3sqc n TYR 293 Ca -0.01 0.11 -0.35 0.00 -0.01 0.00 0.00 57.90 57.64 3sqc n TYR 293 Cb 0.45 -0.51 -0.06 0.00 -0.02 0.00 0.00 39.34 39.20 3sqc n TYR 293 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 176.86 176.05 3sqc s GLY 294 N -3.50 2.61 -0.03 2.72 0.00 -1.10 -0.99 107.32 107.04 3sqc s GLY 294 Ca 0.07 0.52 0.03 0.00 0.00 0.00 0.00 44.72 45.34 3sqc s GLY 294 CO 0.73 0.89 -0.12 0.14 0.00 0.00 0.00 173.10 174.74 3sqc s VAL 295 N -1.87 0.98 -0.26 1.40 1.01 0.38 -4.94 120.40 117.10 3sqc s VAL 295 Ca 0.58 -0.48 -0.17 0.00 0.00 0.00 0.00 61.98 61.90 3sqc s VAL 295 Cb -0.15 -0.85 -0.03 0.00 0.00 0.00 0.00 36.38 35.34 3sqc s VAL 295 CO 0.20 0.29 0.46 -0.70 0.00 0.00 0.00 175.10 175.35 3sqc s GLU 296 N 0.04 4.06 0.02 2.72 2.56 -1.26 -1.17 118.70 125.67 3sqc s GLU 296 Ca -0.01 0.22 -0.14 0.00 0.00 0.00 0.00 54.97 55.04 3sqc s GLU 296 Cb -0.08 -3.64 -0.06 0.00 2.00 0.00 0.00 34.13 32.35 3sqc s GLU 296 CO 0.01 -0.30 0.41 -0.51 -0.56 0.00 0.00 175.26 174.31 3sqc s LEU 297 N 2.14 4.44 0.43 2.70 1.43 -0.18 -4.98 118.68 124.66 3sqc s LEU 297 Ca 0.19 0.93 0.16 0.00 -1.03 0.00 0.00 54.13 54.38 3sqc s LEU 297 Cb -0.16 -2.70 1.06 0.00 0.03 0.00 0.00 46.19 44.42 3sqc s LEU 297 CO 0.09 0.28 1.92 -2.24 0.23 0.00 0.00 176.35 176.63 3sqc h ASP 298 N 4.44 0.39 0.00 2.29 3.04 -1.98 -1.29 116.42 123.32 3sqc h ASP 298 Ca -0.51 0.02 0.00 0.00 -3.24 0.00 0.00 57.03 53.30 3sqc h ASP 298 Cb 1.21 -0.05 0.00 0.00 -1.04 0.00 0.00 39.33 39.45 3sqc h ASP 298 CO 0.63 0.20 0.00 0.00 -2.04 0.00 0.00 179.24 178.02 3sqc n TYR 299 N -4.48 0.00 -0.24 4.15 0.18 -1.26 -4.80 117.16 110.71 3sqc n TYR 299 Ca 0.15 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.93 3sqc n TYR 299 Cb 0.54 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 39.50 3sqc n TYR 299 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 3sqc n GLY 300 N 0.35 0.78 3.48 -7.48 0.00 -0.50 -5.04 105.19 96.78 3sqc n GLY 300 Ca 0.03 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.84 3sqc n GLY 300 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3sqc n GLY 301 N -2.15 0.74 3.27 -0.02 0.00 -1.14 -4.35 105.19 101.54 3sqc n GLY 301 Ca 0.00 -2.04 -0.09 0.00 0.00 0.00 0.00 46.02 43.89 3sqc n GLY 301 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 3sqc s TRP 302 N -2.71 -0.71 0.42 1.61 -0.00 -0.69 -1.01 118.94 115.85 3sqc s TRP 302 Ca 0.59 1.42 0.07 0.00 -0.00 0.00 0.00 56.10 58.18 3sqc s TRP 302 Cb -0.03 0.29 -0.06 0.00 -0.00 0.00 0.00 33.47 33.67 3sqc s TRP 302 CO 0.39 -0.42 0.13 0.00 -0.00 0.00 0.00 176.95 177.05 3sqc s MET 303 N 2.08 2.15 -0.09 5.86 0.23 -0.32 -4.55 119.30 124.66 3sqc s MET 303 Ca -0.05 -1.94 0.02 0.00 -1.03 0.00 0.00 55.69 52.68 3sqc s MET 303 Cb -0.10 -1.87 0.02 0.00 -1.53 0.00 0.00 34.83 31.34 3sqc s MET 303 CO -0.13 -0.12 -0.13 0.12 -2.03 0.00 0.00 175.02 172.74 3sqc s PHE 304 N -2.64 1.71 0.07 3.16 2.19 -1.26 -0.47 117.98 120.74 3sqc s PHE 304 Ca 0.38 -0.75 -0.30 0.00 0.33 0.00 0.00 56.93 56.59 3sqc s PHE 304 Cb 0.05 -1.26 -0.05 0.00 -1.31 0.00 0.00 43.02 40.45 3sqc s PHE 304 CO 0.21 -0.40 1.06 -0.65 1.83 0.00 0.00 175.22 177.27 3sqc s GLN 305 N 0.95 4.56 0.45 10.12 -0.21 -0.16 -4.76 119.66 130.60 3sqc s GLN 305 Ca -0.08 1.58 0.12 0.00 0.02 0.00 0.00 55.36 57.00 3sqc s GLN 305 Cb -0.15 -3.38 1.04 0.00 1.00 0.00 0.00 33.01 31.52 3sqc s GLN 305 CO -0.00 -0.03 2.04 0.00 -2.12 0.00 0.00 175.29 175.18 3sqc h ALA 306 N 6.24 1.93 -2.51 6.09 0.00 -1.90 -3.44 119.26 125.67 3sqc h ALA 306 Ca -0.42 -0.02 0.05 0.00 0.00 0.00 0.00 54.91 54.53 3sqc h ALA 306 Cb 1.21 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.91 3sqc h ALA 306 CO 0.76 0.00 0.33 0.45 0.00 0.00 0.00 179.25 180.79 3sqc n SER 307 N -4.48 -1.49 -4.02 0.00 2.88 -1.26 -1.94 113.62 103.32 3sqc n SER 307 Ca 0.05 -1.91 -0.19 0.00 -1.33 0.00 0.00 58.87 55.49 3sqc n SER 307 Cb 0.22 2.45 -0.15 0.00 -0.75 0.00 0.00 64.21 65.98 3sqc n SER 307 CO 0.00 0.00 0.00 0.27 -1.23 0.00 0.00 175.04 174.08 3sqc s ILE 308 N -2.26 0.73 -0.36 2.46 -4.36 -1.26 -4.61 121.20 111.54 3sqc s ILE 308 Ca 0.15 -0.39 0.07 0.00 -0.26 0.00 0.00 60.65 60.22 3sqc s ILE 308 Cb -0.03 -0.61 0.55 0.00 1.25 0.00 0.00 42.46 43.62 3sqc s ILE 308 CO 0.06 0.21 1.61 -1.54 0.24 0.00 0.00 174.94 175.53 3sqc n SER 309 N 2.90 3.21 -0.19 4.36 3.41 -1.26 -3.42 113.62 122.63 3sqc n SER 309 Ca -0.14 -3.75 0.00 0.00 -0.26 0.00 0.00 58.87 54.73 3sqc n SER 309 Cb 0.57 -0.70 0.10 0.00 -0.26 0.00 0.00 64.21 63.92 3sqc n SER 309 CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 175.04 176.43 3sqc h PRO 310 N 1.11 0.27 -0.39 4.33 0.13 -1.77 0.26 132.00 135.94 3sqc h PRO 310 Ca 0.37 -0.02 -0.06 0.00 -0.87 0.00 0.00 66.00 65.42 3sqc h PRO 310 Cb 1.95 -0.06 -0.01 0.00 0.13 0.00 0.00 31.00 33.01 3sqc h PRO 310 CO 0.68 0.18 -0.01 0.28 -0.23 0.00 0.00 178.00 178.90 3sqc h VAL 311 N 0.28 1.26 0.50 1.56 2.07 -1.65 -0.64 116.25 119.64 3sqc h VAL 311 Ca 0.30 -1.02 -0.02 0.00 0.82 0.00 0.00 66.70 66.78 3sqc h VAL 311 Cb 0.43 1.15 -0.00 0.00 -1.52 0.00 0.00 31.29 31.35 3sqc h VAL 311 CO -0.37 0.34 -0.28 -0.25 0.02 0.00 0.00 177.57 177.03 3sqc h TRP 312 N 0.52 -0.73 -0.00 1.57 -0.00 -1.52 -0.05 115.95 115.74 3sqc h TRP 312 Ca 0.11 -0.01 0.03 0.00 -0.00 0.00 0.00 58.89 59.02 3sqc h TRP 312 Cb 0.48 0.25 -0.05 0.00 -0.00 0.00 0.00 29.16 29.84 3sqc h TRP 312 CO 0.04 -0.43 -0.33 -0.44 -0.00 0.00 0.00 178.44 177.27 3sqc h ASP 313 N -0.73 -1.00 0.03 2.65 3.32 -0.46 -1.03 116.42 119.20 3sqc h ASP 313 Ca -0.06 0.13 0.03 0.00 0.02 0.00 0.00 57.03 57.15 3sqc h ASP 313 Cb 0.58 0.40 -0.05 0.00 0.22 0.00 0.00 39.33 40.48 3sqc h ASP 313 CO 0.08 -0.39 -0.33 0.74 -1.72 0.00 0.00 179.24 177.62 3sqc h THR 314 N -0.49 0.29 -0.19 0.35 2.02 -1.02 0.95 112.91 114.83 3sqc h THR 314 Ca 0.06 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.29 3sqc h THR 314 Cb 0.57 0.29 -0.06 0.00 -1.74 0.00 0.00 68.15 67.21 3sqc h THR 314 CO -0.27 0.00 -0.22 1.23 0.37 0.00 0.00 175.52 176.63 3sqc h GLY 315 N -0.50 -0.15 1.02 2.16 0.00 -0.69 -1.63 103.07 103.27 3sqc h GLY 315 Ca 0.05 0.27 -0.02 0.00 0.00 0.00 0.00 47.33 47.63 3sqc h GLY 315 CO -0.25 -0.19 0.43 1.41 0.00 0.00 0.00 176.54 177.94 3sqc h LEU 316 N -0.24 1.01 -0.56 3.11 3.38 -0.93 -2.74 115.31 118.33 3sqc h LEU 316 Ca 0.12 -0.10 0.07 0.00 0.09 0.00 0.00 57.88 58.05 3sqc h LEU 316 Cb 0.42 -0.26 -0.06 0.00 0.09 0.00 0.00 40.66 40.86 3sqc h LEU 316 CO -0.33 0.82 0.25 0.00 0.09 0.00 0.00 178.44 179.27 3sqc h ALA 317 N 1.23 0.73 0.17 1.53 0.00 -0.23 -0.29 119.26 122.39 3sqc h ALA 317 Ca 0.28 0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.24 3sqc h ALA 317 Cb 0.04 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 3sqc h ALA 317 CO -0.04 -0.12 -0.11 0.28 0.00 0.00 0.00 179.25 179.25 3sqc h VAL 318 N 0.48 0.76 -0.84 0.00 2.07 -1.05 -0.10 116.25 117.57 3sqc h VAL 318 Ca 0.26 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.84 3sqc h VAL 318 Cb 0.24 0.76 -0.05 0.00 -1.52 0.00 0.00 31.29 30.72 3sqc h VAL 318 CO -0.22 0.00 0.55 -0.07 0.02 0.00 0.00 177.57 177.85 3sqc h LEU 319 N -0.28 0.84 0.57 2.57 3.38 -1.19 0.28 115.31 121.49 3sqc h LEU 319 Ca -0.01 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.93 3sqc h LEU 319 Cb 0.24 -0.18 0.01 0.00 0.09 0.00 0.00 40.66 40.81 3sqc h LEU 319 CO 0.01 0.55 -0.27 0.00 0.09 0.00 0.00 178.44 178.82 3sqc h ALA 320 N 1.54 -0.76 -0.88 1.53 0.00 -0.62 -1.59 119.26 118.48 3sqc h ALA 320 Ca 0.35 -0.19 0.02 0.00 0.00 0.00 0.00 54.91 55.09 3sqc h ALA 320 Cb 0.17 0.29 -0.05 0.00 0.00 0.00 0.00 17.79 18.21 3sqc h ALA 320 CO -0.12 -0.86 0.58 -0.07 0.00 0.00 0.00 179.25 178.78 3sqc h LEU 321 N -0.89 0.99 -0.42 0.00 3.38 -0.29 0.12 115.31 118.20 3sqc h LEU 321 Ca -0.08 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.87 3sqc h LEU 321 Cb 0.63 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.12 3sqc h LEU 321 CO 0.13 0.70 0.24 0.03 0.09 0.00 0.00 178.44 179.63 3sqc h ARG 322 N 1.16 0.57 -0.41 1.13 2.47 -0.44 -1.28 114.38 117.58 3sqc h ARG 322 Ca 0.34 -0.06 -0.08 0.00 -1.26 0.00 0.00 59.98 58.92 3sqc h ARG 322 Cb -0.07 -0.12 -0.02 0.00 -1.65 0.00 0.00 29.97 28.11 3sqc h ARG 322 CO -0.09 0.44 -0.08 0.00 0.56 0.00 0.00 179.97 180.80 3sqc h ALA 323 N 1.10 1.09 -0.98 0.04 0.00 -0.82 -2.75 119.26 116.94 3sqc h ALA 323 Ca 0.15 -0.29 0.04 0.00 0.00 0.00 0.00 54.91 54.81 3sqc h ALA 323 Cb 0.03 -0.17 -0.06 0.00 0.00 0.00 0.00 17.79 17.59 3sqc h ALA 323 CO -0.03 0.57 0.64 0.00 0.00 0.00 0.00 179.25 180.43 3sqc h ALA 324 N 1.26 1.37 0.00 0.00 0.00 -0.12 -3.39 119.26 118.36 3sqc h ALA 324 Ca 0.12 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3sqc h ALA 324 Cb 0.52 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 17.97 3sqc h ALA 324 CO 0.03 0.53 0.00 0.41 0.00 0.00 0.00 179.25 180.22 3sqc n GLY 325 N -1.38 0.63 3.70 0.00 0.00 -0.54 -4.81 105.19 102.78 3sqc n GLY 325 Ca 0.13 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.72 3sqc n GLY 325 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3sqc n LEU 326 N 0.00 3.55 -4.75 0.99 4.77 -0.97 -4.95 117.00 115.65 3sqc n LEU 326 Ca 0.00 1.17 -0.37 0.00 -0.03 0.00 0.00 56.01 56.78 3sqc n LEU 326 Cb 0.00 -1.49 0.04 0.00 -2.33 0.00 0.00 43.42 39.65 3sqc n LEU 326 CO 0.00 -0.33 0.90 -2.16 -1.33 0.00 0.00 177.39 174.46 3sqc s PRO 327 N -0.91 2.97 0.57 3.23 0.04 -1.26 -4.56 135.00 135.07 3sqc s PRO 327 Ca 0.63 1.99 0.27 0.00 0.04 0.00 0.00 61.00 63.93 3sqc s PRO 327 Cb -0.59 -2.03 1.54 0.00 0.04 0.00 0.00 34.50 33.46 3sqc s PRO 327 CO 0.54 -1.25 2.05 0.00 0.04 0.00 0.00 177.00 178.37 3sqc h ALA 328 N 1.04 2.04 -0.64 8.56 0.00 -1.93 -1.62 119.26 126.72 3sqc h ALA 328 Ca -0.51 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.39 3sqc h ALA 328 Cb 1.31 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.12 3sqc h ALA 328 CO 0.56 -0.41 0.00 -0.40 0.00 0.00 0.00 179.25 178.99 3sqc n ASP 329 N -3.99 4.65 -4.61 0.00 5.68 -1.26 -1.66 116.55 115.36 3sqc n ASP 329 Ca 0.04 -2.43 -0.49 0.00 -0.50 0.00 0.00 54.79 51.42 3sqc n ASP 329 Cb 0.42 -0.56 -0.05 0.00 -1.14 0.00 0.00 41.12 39.78 3sqc n ASP 329 CO 0.00 0.00 0.00 1.57 -1.33 0.00 0.00 177.20 177.44 3sqc n HIS 330 N 1.09 2.08 -0.56 2.11 -0.00 -0.61 -4.80 115.22 114.53 3sqc n HIS 330 Ca 0.25 0.08 0.45 0.00 0.46 0.00 0.00 57.72 58.96 3sqc n HIS 330 Cb 0.86 -2.63 0.75 0.00 -0.12 0.00 0.00 29.99 28.85 3sqc n HIS 330 CO 0.00 0.00 0.00 0.38 0.46 0.00 0.00 176.34 177.18 3sqc h ASP 331 N 10.74 0.10 -0.08 0.26 2.03 -1.93 0.30 116.42 127.84 3sqc h ASP 331 Ca -0.42 0.07 -0.08 0.00 -0.73 0.00 0.00 57.03 55.87 3sqc h ASP 331 Cb 1.28 0.06 0.00 0.00 -0.83 0.00 0.00 39.33 39.85 3sqc h ASP 331 CO 0.97 -0.10 -0.26 -0.09 -1.03 0.00 0.00 179.24 178.73 3sqc h ARG 332 N 0.03 0.31 0.00 4.15 9.65 -1.98 -2.95 114.38 123.59 3sqc h ARG 332 Ca 0.87 -0.23 0.00 0.00 -1.10 0.00 0.00 59.98 59.51 3sqc h ARG 332 Cb 3.16 0.04 0.00 0.00 -1.39 0.00 0.00 29.97 31.78 3sqc h ARG 332 CO -0.21 0.86 0.00 1.28 2.80 0.00 0.00 179.97 184.70 3sqc n LEU 333 N -4.48 0.71 0.04 3.80 4.77 0.94 -2.62 117.00 120.15 3sqc n LEU 333 Ca -0.08 0.66 -0.19 0.00 -0.03 0.00 0.00 56.01 56.37 3sqc n LEU 333 Cb 0.46 -0.55 -0.13 0.00 -2.33 0.00 0.00 43.42 40.87 3sqc n LEU 333 CO 0.41 -0.54 0.12 0.58 -1.33 0.00 0.00 177.39 176.63 3sqc h VAL 334 N 0.00 1.42 -0.48 4.08 2.07 -1.10 -1.91 116.25 120.34 3sqc h VAL 334 Ca 0.00 -2.30 0.08 0.00 0.82 0.00 0.00 66.70 65.30 3sqc h VAL 334 Cb 0.40 2.81 -0.06 0.00 -1.52 0.00 0.00 31.29 32.91 3sqc h VAL 334 CO 0.00 0.67 0.10 0.11 0.02 0.00 0.00 177.57 178.47 3sqc h LYS 335 N -0.10 0.24 -0.14 1.57 1.79 -1.33 0.22 116.57 118.81 3sqc h LYS 335 Ca -0.12 -0.01 0.03 0.00 -2.18 0.00 0.00 60.65 58.37 3sqc h LYS 335 Cb 1.54 -0.05 -0.03 0.00 -1.58 0.00 0.00 32.23 32.11 3sqc h LYS 335 CO 0.15 0.16 -0.05 0.00 -1.08 0.00 0.00 179.45 178.63 3sqc h ALA 336 N 1.36 0.07 -0.55 3.86 0.00 -1.56 -0.87 119.26 121.58 3sqc h ALA 336 Ca 0.24 0.06 0.05 0.00 0.00 0.00 0.00 54.91 55.25 3sqc h ALA 336 Cb 0.30 0.14 -0.05 0.00 0.00 0.00 0.00 17.79 18.18 3sqc h ALA 336 CO -0.30 -0.50 0.28 0.78 0.00 0.00 0.00 179.25 179.52 3sqc h GLY 337 N -0.03 0.78 0.93 0.00 0.00 -0.24 -0.24 103.07 104.27 3sqc h GLY 337 Ca 0.07 -0.20 -0.02 0.00 0.00 0.00 0.00 47.33 47.18 3sqc h GLY 337 CO -0.16 0.12 0.13 0.83 0.00 0.00 0.00 176.54 177.46 3sqc h GLU 338 N 0.55 0.56 -0.18 4.80 4.39 -0.34 -2.05 114.58 122.30 3sqc h GLU 338 Ca 0.24 -0.11 0.03 0.00 0.34 0.00 0.00 59.36 59.86 3sqc h GLU 338 Cb 0.14 -0.09 -0.03 0.00 -0.10 0.00 0.00 28.75 28.68 3sqc h GLU 338 CO -0.16 0.56 -0.01 2.35 -1.16 0.00 0.00 179.01 180.59 3sqc h TRP 339 N 0.44 -0.02 -0.74 4.33 7.01 -0.86 -2.57 115.95 123.54 3sqc h TRP 339 Ca 0.12 0.01 0.06 0.00 2.11 0.00 0.00 58.89 61.19 3sqc h TRP 339 Cb 0.22 0.04 -0.06 0.00 -2.10 0.00 0.00 29.16 27.26 3sqc h TRP 339 CO 0.00 -0.03 0.44 -0.07 -2.79 0.00 0.00 178.44 175.99 3sqc h LEU 340 N 0.05 0.68 -0.98 0.65 3.38 -0.88 -2.57 115.31 115.63 3sqc h LEU 340 Ca 0.08 0.02 0.04 0.00 0.09 0.00 0.00 57.88 58.12 3sqc h LEU 340 Cb 0.11 -0.12 -0.06 0.00 0.09 0.00 0.00 40.66 40.68 3sqc h LEU 340 CO -0.15 0.44 0.64 -0.07 0.09 0.00 0.00 178.44 179.39 3sqc h LEU 341 N 0.81 1.05 -0.34 1.67 3.38 -0.98 -1.08 115.31 119.82 3sqc h LEU 341 Ca 0.32 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.29 3sqc h LEU 341 Cb 0.16 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.68 3sqc h LEU 341 CO -0.17 0.71 0.00 0.47 0.09 0.00 0.00 178.44 179.54 3sqc n ASP 342 N -4.48 0.30 0.09 -0.43 8.00 -0.98 -2.71 116.55 116.34 3sqc n ASP 342 Ca 0.14 0.58 0.12 0.00 0.71 0.00 0.00 54.79 56.34 3sqc n ASP 342 Cb 0.12 -0.64 0.19 0.00 -0.02 0.00 0.00 41.12 40.77 3sqc n ASP 342 CO 0.00 0.00 0.00 -0.09 -0.39 0.00 0.00 177.20 176.72 3sqc h ARG 343 N 0.00 0.00 -6.71 -1.24 9.65 -1.08 -3.47 114.38 111.52 3sqc h ARG 343 Ca 0.00 0.00 -0.54 0.00 -1.10 0.00 0.00 59.98 58.34 3sqc h ARG 343 Cb 0.28 0.00 0.08 0.00 -1.39 0.00 0.00 29.97 28.94 3sqc h ARG 343 CO 0.00 0.00 0.87 0.94 2.80 0.00 0.00 179.97 184.58 3sqc n GLN 344 N -2.29 2.59 -3.04 0.20 7.27 -1.10 -4.73 117.38 116.27 3sqc n GLN 344 Ca 0.03 0.92 -0.40 0.00 0.07 0.00 0.00 57.00 57.63 3sqc n GLN 344 Cb 0.46 -2.70 -0.05 0.00 2.41 0.00 0.00 30.24 30.36 3sqc n GLN 344 CO 0.00 0.00 0.00 0.42 0.07 0.00 0.00 177.06 177.55 3sqc s ILE 345 N 0.33 5.01 -0.97 1.69 1.09 -0.70 -4.96 121.20 122.69 3sqc s ILE 345 Ca 0.68 1.41 0.09 0.00 -1.10 0.00 0.00 60.65 61.73 3sqc s ILE 345 Cb -0.53 -4.03 0.04 0.00 -1.06 0.00 0.00 42.46 36.87 3sqc s ILE 345 CO 0.44 0.18 0.70 0.35 -0.10 0.00 0.00 174.94 176.50 3sqc n THR 346 N 4.17 0.00 -3.86 2.92 -2.24 -1.26 -2.85 114.28 111.15 3sqc n THR 346 Ca -0.00 -0.47 -0.21 0.00 -2.27 0.00 0.00 64.05 61.10 3sqc n THR 346 Cb 0.50 1.15 -0.03 0.00 -2.10 0.00 0.00 70.33 69.86 3sqc n THR 346 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 3sqc s VAL 347 N -0.93 4.41 0.57 2.28 -7.23 -1.26 -4.69 120.40 113.55 3sqc s VAL 347 Ca 0.09 -1.18 -0.14 0.00 -1.81 0.00 0.00 61.98 58.93 3sqc s VAL 347 Cb 0.07 -3.49 -0.06 0.00 0.56 0.00 0.00 36.38 33.46 3sqc s VAL 347 CO 0.15 -0.26 1.01 -2.84 -0.31 0.00 0.00 175.10 172.85 3sqc s PRO 348 N -3.99 3.69 0.14 4.82 0.02 -1.26 -4.77 135.00 133.65 3sqc s PRO 348 Ca 0.38 0.92 0.01 0.00 0.02 0.00 0.00 61.00 62.33 3sqc s PRO 348 Cb -0.08 -2.10 -0.00 0.00 0.02 0.00 0.00 34.50 32.34 3sqc s PRO 348 CO 0.28 -0.49 0.04 0.41 -0.33 0.00 0.00 177.00 176.91 3sqc n GLY 349 N -1.89 3.83 0.42 0.52 0.00 -1.26 -4.81 105.19 102.01 3sqc n GLY 349 Ca 0.07 -2.01 0.23 0.00 0.00 0.00 0.00 46.02 44.31 3sqc n GLY 349 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3sqc h ASP 350 N 0.53 0.33 -0.75 1.61 5.19 -1.91 0.16 116.42 121.57 3sqc h ASP 350 Ca -0.11 0.05 0.14 0.00 -0.62 0.00 0.00 57.03 56.49 3sqc h ASP 350 Cb 0.40 -0.01 -0.05 0.00 0.18 0.00 0.00 39.33 39.85 3sqc h ASP 350 CO 0.17 0.10 0.50 4.11 -3.12 0.00 0.00 179.24 181.00 3sqc h TRP 351 N 0.31 0.54 0.00 4.55 5.08 -1.85 -0.71 115.95 123.87 3sqc h TRP 351 Ca 0.51 0.02 0.00 0.00 1.08 0.00 0.00 58.89 60.50 3sqc h TRP 351 Cb 1.46 -0.17 0.00 0.00 -3.00 0.00 0.00 29.16 27.45 3sqc h TRP 351 CO -0.00 0.21 0.00 0.00 -1.28 0.00 0.00 178.44 177.37 3sqc n ALA 352 N -2.51 1.10 0.21 0.11 0.00 0.57 -1.70 120.51 118.29 3sqc n ALA 352 Ca 0.14 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.66 3sqc n ALA 352 Cb 0.49 -0.99 0.37 0.00 0.00 0.00 0.00 19.45 19.31 3sqc n ALA 352 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3sqc h VAL 353 N 0.00 0.62 0.00 0.00 2.07 -1.28 -2.80 116.25 114.86 3sqc h VAL 353 Ca 0.00 -1.33 0.00 0.00 0.82 0.00 0.00 66.70 66.19 3sqc h VAL 353 Cb 0.01 1.89 0.00 0.00 -1.52 0.00 0.00 31.29 31.67 3sqc h VAL 353 CO 0.00 0.27 -0.75 1.17 0.02 0.00 0.00 177.57 178.28 3sqc n LYS 354 N -3.37 2.25 -3.23 1.57 3.00 -0.69 -4.72 118.16 112.97 3sqc n LYS 354 Ca 0.00 -0.01 -0.24 0.00 -0.00 0.00 0.00 58.31 58.06 3sqc n LYS 354 Cb 0.49 -1.17 -0.07 0.00 0.00 0.00 0.00 35.03 34.28 3sqc n LYS 354 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 3sqc n ARG 355 N -1.39 0.56 0.20 1.64 5.12 -1.16 -4.98 116.66 116.64 3sqc n ARG 355 Ca 0.02 -3.15 0.04 0.00 -1.93 0.00 0.00 57.85 52.84 3sqc n ARG 355 Cb 0.23 -1.35 0.41 0.00 -1.16 0.00 0.00 32.46 30.59 3sqc n ARG 355 CO 0.00 0.00 0.00 -1.35 -1.93 0.00 0.00 177.63 174.35 3sqc h PRO 356 N 4.48 0.00 -0.64 5.56 0.11 -1.78 -2.88 132.00 136.85 3sqc h PRO 356 Ca 0.12 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.23 3sqc h PRO 356 Cb 0.90 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.01 3sqc h PRO 356 CO 0.42 0.33 0.00 0.09 -0.21 0.00 0.00 178.00 178.64 3sqc n ASN 357 N -3.99 3.66 -4.75 -2.05 5.03 -1.26 -4.89 115.26 107.01 3sqc n ASN 357 Ca -0.02 -2.14 -0.37 0.00 0.87 0.00 0.00 54.58 52.92 3sqc n ASN 357 Cb 0.39 -0.46 -0.06 0.00 -1.02 0.00 0.00 39.78 38.62 3sqc n ASN 357 CO 0.00 0.00 0.00 -0.22 -1.83 0.00 0.00 177.26 175.21 3sqc s LEU 358 N -1.23 4.31 -0.04 3.41 2.96 -1.09 -5.06 118.68 121.94 3sqc s LEU 358 Ca 0.43 0.76 -0.26 0.00 -0.22 0.00 0.00 54.13 54.83 3sqc s LEU 358 Cb 0.24 -2.57 -0.03 0.00 0.50 0.00 0.00 46.19 44.33 3sqc s LEU 358 CO 0.26 0.10 0.83 -0.54 -1.32 0.00 0.00 176.35 175.68 3sqc s LYS 359 N 0.19 4.49 0.41 1.98 -0.14 -1.26 -5.03 119.74 120.39 3sqc s LYS 359 Ca 0.23 1.13 -0.27 0.00 -1.36 0.00 0.00 55.97 55.70 3sqc s LYS 359 Cb -0.15 -3.46 -0.10 0.00 -1.68 0.00 0.00 37.83 32.45 3sqc s LYS 359 CO 0.09 0.00 1.47 -1.25 -0.76 0.00 0.00 175.35 174.91 3sqc s PRO 360 N 0.92 3.91 0.00 -1.68 0.04 -1.26 -4.59 135.00 132.35 3sqc s PRO 360 Ca 0.44 2.53 0.00 0.00 0.04 0.00 0.00 61.00 64.01 3sqc s PRO 360 Cb -0.19 -2.83 0.00 0.00 0.04 0.00 0.00 34.50 31.52 3sqc s PRO 360 CO 0.22 -0.68 0.04 0.41 0.04 0.00 0.00 177.00 177.04 3sqc n GLY 361 N 0.50 0.23 1.47 0.56 0.00 -1.13 -4.75 105.19 102.07 3sqc n GLY 361 Ca 0.03 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.94 3sqc n GLY 361 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3sqc n GLY 362 N 0.00 -1.11 3.00 -0.02 0.00 -1.25 -3.70 105.19 102.11 3sqc n GLY 362 Ca 0.00 -1.71 -0.14 0.00 0.00 0.00 0.00 46.02 44.17 3sqc n GLY 362 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3sqc s PHE 363 N -2.02 0.51 0.63 1.61 0.40 -1.26 -1.72 117.98 116.13 3sqc s PHE 363 Ca 0.28 -0.30 0.04 0.00 -0.60 0.00 0.00 56.93 56.35 3sqc s PHE 363 Cb -0.01 -0.32 0.10 0.00 0.51 0.00 0.00 43.02 43.30 3sqc s PHE 363 CO 0.20 -0.05 0.87 0.00 0.70 0.00 0.00 175.22 176.94 3sqc s ALA 364 N -0.77 4.14 -0.14 5.36 0.00 -1.26 -1.36 121.76 127.72 3sqc s ALA 364 Ca -0.05 -1.84 -0.22 0.00 0.00 0.00 0.00 51.96 49.85 3sqc s ALA 364 Cb -0.06 -1.79 -0.25 0.00 0.00 0.00 0.00 23.12 21.02 3sqc s ALA 364 CO 0.00 -1.11 0.55 0.35 0.00 0.00 0.00 175.76 175.55 3sqc h PHE 365 N -0.15 0.17 -2.50 0.00 3.57 -1.89 -3.44 116.94 112.71 3sqc h PHE 365 Ca -0.35 -0.12 0.00 0.00 3.53 0.00 0.00 57.97 61.03 3sqc h PHE 365 Cb 1.28 -0.01 0.00 0.00 2.79 0.00 0.00 35.95 40.01 3sqc h PHE 365 CO 0.11 1.33 0.00 0.00 -2.23 0.00 0.00 178.31 177.53 3sqc n GLN 366 N -4.32 0.29 0.11 1.11 0.00 -1.22 -2.03 117.38 111.32 3sqc n GLN 366 Ca -0.21 0.00 -0.07 0.00 0.00 0.00 0.00 57.00 56.72 3sqc n GLN 366 Cb 0.69 0.00 -0.04 0.00 0.00 0.00 0.00 30.24 30.89 3sqc n GLN 366 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.06 177.80 3sqc h PHE 367 N -0.72 -0.35 -3.13 2.61 0.04 -1.92 -3.41 116.94 110.05 3sqc h PHE 367 Ca 0.00 -0.01 -0.62 0.00 2.80 0.00 0.00 57.97 60.14 3sqc h PHE 367 Cb 0.00 0.12 -0.41 0.00 2.20 0.00 0.00 35.95 37.86 3sqc h PHE 367 CO 0.00 -0.17 -0.69 0.34 -0.60 0.00 0.00 178.31 177.20 3sqc s ASP 368 N -5.15 3.96 -0.39 2.17 2.15 -1.26 -5.00 116.67 113.15 3sqc s ASP 368 Ca -0.07 -2.94 0.03 0.00 0.43 0.00 0.00 52.55 50.00 3sqc s ASP 368 Cb 0.01 -1.32 0.16 0.00 -0.30 0.00 0.00 42.92 41.47 3sqc s ASP 368 CO 0.22 -0.23 0.34 0.21 -0.17 0.00 0.00 175.17 175.54 3sqc s ASN 369 N -0.12 1.60 0.30 -0.34 2.47 -1.26 -2.91 114.94 114.68 3sqc s ASN 369 Ca 0.19 -2.24 0.15 0.00 0.42 0.00 0.00 52.86 51.39 3sqc s ASN 369 Cb -0.22 0.07 0.34 0.00 -1.45 0.00 0.00 41.25 40.00 3sqc s ASN 369 CO -0.03 -0.23 1.57 -0.37 -3.72 0.00 0.00 177.10 174.33 3sqc h VAL 370 N 4.90 1.05 0.00 -5.21 -1.51 -1.95 -3.30 116.25 110.23 3sqc h VAL 370 Ca 0.12 -2.05 0.00 0.00 -1.23 0.00 0.00 66.70 63.54 3sqc h VAL 370 Cb 0.99 2.22 0.00 0.00 -2.13 0.00 0.00 31.29 32.37 3sqc h VAL 370 CO 0.25 0.51 -0.31 -1.22 -1.23 0.00 0.00 177.57 175.58 3sqc n TYR 371 N -3.44 0.15 -3.00 5.19 4.01 -1.26 -4.43 117.16 114.38 3sqc n TYR 371 Ca 0.00 0.04 -0.23 0.00 -0.16 0.00 0.00 57.90 57.56 3sqc n TYR 371 Cb 0.65 -0.45 -0.03 0.00 -0.31 0.00 0.00 39.34 39.20 3sqc n TYR 371 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 3sqc n TYR 372 N -1.65 2.41 -1.29 -0.72 4.01 -1.24 -3.06 117.16 115.62 3sqc n TYR 372 Ca 0.06 -3.83 -0.31 0.00 -0.16 0.00 0.00 57.90 53.65 3sqc n TYR 372 Cb 0.36 -0.44 0.09 0.00 -0.31 0.00 0.00 39.34 39.04 3sqc n TYR 372 CO 0.00 0.00 0.00 -1.25 -0.46 0.00 0.00 176.86 175.15 3sqc s PRO 373 N -3.06 2.22 0.10 -0.72 0.04 -1.26 -4.73 135.00 127.58 3sqc s PRO 373 Ca 0.45 1.26 0.06 0.00 0.04 0.00 0.00 61.00 62.80 3sqc s PRO 373 Cb 0.32 -1.89 -0.03 0.00 0.04 0.00 0.00 34.50 32.94 3sqc s PRO 373 CO -0.11 -1.68 -0.14 0.16 0.04 0.00 0.00 177.00 175.26 3sqc s ASP 374 N -3.15 1.87 0.11 6.66 1.47 -0.46 -4.70 116.67 118.47 3sqc s ASP 374 Ca 0.63 -0.71 -0.20 0.00 1.18 0.00 0.00 52.55 53.45 3sqc s ASP 374 Cb -0.19 -0.06 -0.08 0.00 -0.34 0.00 0.00 42.92 42.26 3sqc s ASP 374 CO 0.54 -0.10 1.74 0.58 0.68 0.00 0.00 175.17 178.60 3sqc h VAL 375 N 3.91 1.07 -0.25 2.11 2.07 -0.89 -1.78 116.25 122.50 3sqc h VAL 375 Ca -0.41 -0.18 0.06 0.00 0.82 0.00 0.00 66.70 67.00 3sqc h VAL 375 Cb 1.19 0.85 -0.08 0.00 -1.52 0.00 0.00 31.29 31.74 3sqc h VAL 375 CO 0.45 0.07 -0.33 0.00 0.02 0.00 0.00 177.57 177.78 3sqc h ASP 377 N -0.34 0.28 -0.37 0.00 3.32 -1.83 -2.21 116.42 115.28 3sqc h ASP 377 Ca 0.13 -0.17 0.05 0.00 0.02 0.00 0.00 57.03 57.06 3sqc h ASP 377 Cb 0.54 -0.07 -0.05 0.00 0.22 0.00 0.00 39.33 39.98 3sqc h ASP 377 CO -0.44 0.37 0.09 0.74 -1.72 0.00 0.00 179.24 178.29 3sqc h THR 378 N 0.17 0.84 -0.32 0.35 2.02 -0.95 0.69 112.91 115.71 3sqc h THR 378 Ca 0.07 -0.08 -0.00 0.00 0.77 0.00 0.00 66.41 67.17 3sqc h THR 378 Cb 0.18 0.60 -0.02 0.00 -1.74 0.00 0.00 68.15 67.17 3sqc h THR 378 CO -0.01 0.04 0.19 0.00 0.37 0.00 0.00 175.52 176.12 3sqc h ALA 379 N 1.26 0.41 -0.00 6.16 0.00 -0.49 -1.44 119.26 125.16 3sqc h ALA 379 Ca 0.17 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 3sqc h ALA 379 Cb 0.18 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 3sqc h ALA 379 CO -0.21 -0.09 0.00 0.28 0.00 0.00 0.00 179.25 179.23 3sqc h VAL 380 N 0.41 1.18 -0.20 0.00 2.07 -1.08 -2.34 116.25 116.29 3sqc h VAL 380 Ca 0.12 -0.53 0.05 0.00 0.82 0.00 0.00 66.70 67.15 3sqc h VAL 380 Cb 0.01 1.53 -0.04 0.00 -1.52 0.00 0.00 31.29 31.27 3sqc h VAL 380 CO -0.02 0.14 -0.08 0.58 0.02 0.00 0.00 177.57 178.20 3sqc h VAL 381 N -0.22 0.72 -0.43 2.57 2.07 -0.75 0.34 116.25 120.55 3sqc h VAL 381 Ca 0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.53 3sqc h VAL 381 Cb 0.22 0.72 -0.02 0.00 -1.52 0.00 0.00 31.29 30.69 3sqc h VAL 381 CO 0.00 0.00 0.28 0.58 0.02 0.00 0.00 177.57 178.45 3sqc h VAL 382 N -0.05 1.11 -0.10 2.57 2.07 -1.28 0.95 116.25 121.50 3sqc h VAL 382 Ca 0.11 -0.20 0.01 0.00 0.82 0.00 0.00 66.70 67.44 3sqc h VAL 382 Cb 0.21 0.48 -0.01 0.00 -1.52 0.00 0.00 31.29 30.45 3sqc h VAL 382 CO -0.24 0.11 0.02 -0.25 0.02 0.00 0.00 177.57 177.23 3sqc h TRP 383 N 0.58 0.04 -0.62 1.57 7.01 -0.84 -0.50 115.95 123.18 3sqc h TRP 383 Ca 0.16 0.01 0.02 0.00 2.11 0.00 0.00 58.89 61.18 3sqc h TRP 383 Cb -0.06 -0.00 -0.03 0.00 -2.10 0.00 0.00 29.16 26.96 3sqc h TRP 383 CO -0.05 0.02 0.41 0.00 -2.79 0.00 0.00 178.44 176.03 3sqc h ALA 384 N 1.07 1.62 -0.37 2.65 0.00 0.10 -1.70 119.26 122.63 3sqc h ALA 384 Ca 0.05 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.85 3sqc h ALA 384 Cb 0.04 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 3sqc h ALA 384 CO -0.06 0.33 -0.05 -0.07 0.00 0.00 0.00 179.25 179.40 3sqc h LEU 385 N 0.78 0.68 -2.07 0.00 3.38 -0.01 -2.94 115.31 115.13 3sqc h LEU 385 Ca 0.24 -0.34 0.09 0.00 0.09 0.00 0.00 57.88 57.96 3sqc h LEU 385 Cb 0.00 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.55 3sqc h LEU 385 CO -0.06 0.86 0.35 -1.13 0.09 0.00 0.00 178.44 178.55 3sqc h ASN 386 N 0.49 0.00 0.92 -0.43 -1.24 -0.17 0.12 115.58 115.27 3sqc h ASN 386 Ca 0.10 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.11 3sqc h ASN 386 Cb 0.54 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.59 3sqc h ASN 386 CO 0.03 0.00 -0.52 0.35 -1.29 0.00 0.00 177.43 176.00 3sqc n THR 387 N -3.74 0.35 -2.49 -3.57 -2.24 -1.10 -4.94 114.28 96.54 3sqc n THR 387 Ca 0.05 -0.24 -0.24 0.00 -2.27 0.00 0.00 64.05 61.34 3sqc n THR 387 Cb 0.50 -0.17 0.04 0.00 -2.10 0.00 0.00 70.33 68.61 3sqc n THR 387 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3sqc s LEU 388 N -4.13 3.17 -0.40 3.22 1.43 0.42 -4.64 118.68 117.74 3sqc s LEU 388 Ca 0.07 0.33 0.01 0.00 -1.03 0.00 0.00 54.13 53.52 3sqc s LEU 388 Cb 0.14 -3.13 0.13 0.00 0.03 0.00 0.00 46.19 43.36 3sqc s LEU 388 CO 0.70 -1.22 0.21 -0.60 0.23 0.00 0.00 176.35 175.67 3sqc s ARG 389 N -4.94 1.07 0.18 1.70 6.06 -0.66 -4.98 118.95 117.38 3sqc s ARG 389 Ca 0.56 -1.75 -0.00 0.00 -2.50 0.00 0.00 55.73 52.04 3sqc s ARG 389 Cb -0.10 -2.10 -0.04 0.00 0.06 0.00 0.00 34.95 32.76 3sqc s ARG 389 CO 0.42 -1.14 0.36 -0.51 -2.50 0.00 0.00 175.30 171.93 3sqc s LEU 390 N 0.66 4.25 0.05 -0.88 1.43 -1.26 -4.38 118.68 118.56 3sqc s LEU 390 Ca 0.17 0.36 -0.15 0.00 -1.03 0.00 0.00 54.13 53.48 3sqc s LEU 390 Cb -0.23 -3.12 -0.05 0.00 0.03 0.00 0.00 46.19 42.82 3sqc s LEU 390 CO -0.03 -0.01 1.24 -0.65 0.23 0.00 0.00 176.35 177.13 3sqc h PRO 391 N 2.11 -0.20 -4.08 1.29 0.11 -2.00 -3.28 132.00 125.94 3sqc h PRO 391 Ca -0.48 0.01 -0.77 0.00 0.11 0.00 0.00 66.00 64.88 3sqc h PRO 391 Cb 1.19 0.05 -0.24 0.00 0.11 0.00 0.00 31.00 32.11 3sqc h PRO 391 CO 0.69 -0.14 0.62 0.16 -0.21 0.00 0.00 178.00 179.12 3sqc s ASP 392 N -3.65 7.04 0.00 -2.05 -4.77 -1.26 -4.84 116.67 107.15 3sqc s ASP 392 Ca -0.06 -3.04 0.02 0.00 -3.30 0.00 0.00 52.55 46.16 3sqc s ASP 392 Cb 0.03 -2.28 0.10 0.00 -1.09 0.00 0.00 42.92 39.68 3sqc s ASP 392 CO 0.27 -0.56 0.60 -1.84 0.70 0.00 0.00 175.17 174.33 3sqc n GLU 393 N 4.16 0.51 -0.03 2.11 -0.00 -1.24 -2.34 120.64 123.82 3sqc n GLU 393 Ca 0.24 0.00 -0.13 0.00 -0.00 0.00 0.00 57.16 57.27 3sqc n GLU 393 Cb 0.43 -1.05 -0.11 0.00 -0.00 0.00 0.00 31.44 30.72 3sqc n GLU 393 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.13 177.04 3sqc h ARG 394 N 0.00 -0.02 0.00 3.44 9.65 -1.93 -0.75 114.38 124.77 3sqc h ARG 394 Ca 0.00 0.00 -0.06 0.00 -1.10 0.00 0.00 59.98 58.82 3sqc h ARG 394 Cb 0.00 0.01 -0.01 0.00 -1.39 0.00 0.00 29.97 28.58 3sqc h ARG 394 CO 0.00 0.66 -0.31 -0.09 2.80 0.00 0.00 179.97 183.03 3sqc h ARG 395 N -0.75 0.00 -0.01 0.20 2.43 -1.89 -1.82 114.38 112.55 3sqc h ARG 395 Ca -0.00 0.00 -0.25 0.00 -0.81 0.00 0.00 59.98 58.92 3sqc h ARG 395 Cb 0.69 0.00 0.02 0.00 -0.42 0.00 0.00 29.97 30.26 3sqc h ARG 395 CO 0.00 0.31 -0.96 -0.09 -1.51 0.00 0.00 179.97 177.72 3sqc h ARG 396 N 0.00 0.66 -0.28 0.20 2.43 -1.56 0.22 114.38 116.05 3sqc h ARG 396 Ca -0.00 -0.70 -0.04 0.00 -0.81 0.00 0.00 59.98 58.42 3sqc h ARG 396 Cb 1.07 0.20 -0.01 0.00 -0.42 0.00 0.00 29.97 30.81 3sqc h ARG 396 CO 0.04 1.29 0.01 -0.09 -1.51 0.00 0.00 179.97 179.71 3sqc h ARG 397 N 0.32 0.50 0.48 0.20 9.65 -1.08 -2.21 114.38 122.24 3sqc h ARG 397 Ca -0.12 -0.16 -0.02 0.00 -1.10 0.00 0.00 59.98 58.58 3sqc h ARG 397 Cb 1.62 -0.05 0.00 0.00 -1.39 0.00 0.00 29.97 30.16 3sqc h ARG 397 CO 0.19 0.65 -0.23 0.22 2.80 0.00 0.00 179.97 183.59 3sqc h ASP 398 N 0.29 -0.56 -0.62 -3.80 3.58 -1.35 -1.98 116.42 111.98 3sqc h ASP 398 Ca 0.08 0.02 0.05 0.00 0.42 0.00 0.00 57.03 57.60 3sqc h ASP 398 Cb 0.42 0.15 -0.05 0.00 1.72 0.00 0.00 39.33 41.57 3sqc h ASP 398 CO 0.01 -0.40 0.35 0.00 -2.88 0.00 0.00 179.24 176.33 3sqc h ALA 399 N -0.12 0.82 -0.23 -0.78 0.00 -0.96 -1.72 119.26 116.27 3sqc h ALA 399 Ca -0.06 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 3sqc h ALA 399 Cb 0.50 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 3sqc h ALA 399 CO 0.10 0.04 0.14 0.52 0.00 0.00 0.00 179.25 180.05 3sqc h MET 400 N 0.66 0.32 -0.62 0.00 2.86 -1.30 -0.32 114.93 116.54 3sqc h MET 400 Ca 0.27 -0.03 0.01 0.00 -2.06 0.00 0.00 59.70 57.89 3sqc h MET 400 Cb 0.13 -0.07 -0.03 0.00 0.06 0.00 0.00 31.60 31.70 3sqc h MET 400 CO -0.16 0.26 0.41 1.79 1.06 0.00 0.00 176.91 180.28 3sqc h THR 401 N 0.29 1.16 -0.37 2.22 1.35 -1.07 0.13 112.91 116.62 3sqc h THR 401 Ca 0.08 -0.29 -0.02 0.00 -0.55 0.00 0.00 66.41 65.63 3sqc h THR 401 Cb 0.03 0.25 -0.02 0.00 -1.73 0.00 0.00 68.15 66.68 3sqc h THR 401 CO -0.02 0.16 0.15 0.11 -0.25 0.00 0.00 175.52 175.67 3sqc h LYS 402 N 0.84 0.55 0.24 4.72 1.57 -1.03 0.21 116.57 123.66 3sqc h LYS 402 Ca 0.23 -0.10 -0.01 0.00 -1.87 0.00 0.00 60.65 58.89 3sqc h LYS 402 Cb -0.09 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.13 3sqc h LYS 402 CO -0.05 0.53 -0.12 0.78 -0.57 0.00 0.00 179.45 180.03 3sqc h GLY 403 N 0.45 -0.34 0.05 3.86 0.00 -0.86 -1.26 103.07 104.97 3sqc h GLY 403 Ca 0.12 0.13 0.05 0.00 0.00 0.00 0.00 47.33 47.63 3sqc h GLY 403 CO -0.01 -0.12 -0.37 -2.75 0.00 0.00 0.00 176.54 173.28 3sqc h PHE 404 N -0.43 -1.05 -0.77 5.60 3.04 -0.59 -0.36 116.94 122.39 3sqc h PHE 404 Ca -0.03 0.04 0.02 0.00 3.98 0.00 0.00 57.97 61.98 3sqc h PHE 404 Cb 0.33 0.48 -0.04 0.00 2.56 0.00 0.00 35.95 39.28 3sqc h PHE 404 CO -0.03 -0.44 0.51 0.00 -2.02 0.00 0.00 178.31 176.33 3sqc h ARG 405 N -0.43 0.99 -0.31 1.11 3.08 -0.94 -1.57 114.38 116.31 3sqc h ARG 405 Ca 0.09 -0.06 -0.03 0.00 0.07 0.00 0.00 59.98 60.05 3sqc h ARG 405 Cb 0.59 -0.22 -0.01 0.00 0.08 0.00 0.00 29.97 30.40 3sqc h ARG 405 CO -0.39 0.65 0.08 2.35 -1.07 0.00 0.00 179.97 181.59 3sqc h TRP 406 N 1.02 0.51 -0.45 3.04 7.01 -0.26 -1.44 115.95 125.37 3sqc h TRP 406 Ca 0.29 -0.06 0.02 0.00 2.11 0.00 0.00 58.89 61.25 3sqc h TRP 406 Cb -0.07 -0.15 -0.03 0.00 -2.10 0.00 0.00 29.16 26.82 3sqc h TRP 406 CO -0.00 0.54 0.27 0.82 -2.79 0.00 0.00 178.44 177.28 3sqc h ILE 407 N 0.34 1.05 -0.19 2.65 2.04 -0.56 -1.75 117.51 121.08 3sqc h ILE 407 Ca 0.10 -0.19 0.02 0.00 1.00 0.00 0.00 64.86 65.79 3sqc h ILE 407 Cb 0.28 0.46 -0.02 0.00 -0.74 0.00 0.00 36.82 36.80 3sqc h ILE 407 CO -0.00 0.10 0.06 0.58 0.00 0.00 0.00 178.15 178.89 3sqc h VAL 408 N 0.54 0.95 0.00 1.67 2.07 -1.14 -0.42 116.25 119.92 3sqc h VAL 408 Ca 0.18 -0.05 0.00 0.00 0.82 0.00 0.00 66.70 67.65 3sqc h VAL 408 Cb 0.01 0.78 0.00 0.00 -1.52 0.00 0.00 31.29 30.57 3sqc h VAL 408 CO -0.08 0.03 0.00 0.61 0.02 0.00 0.00 177.57 178.15 3sqc n GLY 409 N -1.16 -0.83 0.25 2.17 0.00 -0.56 -2.29 105.19 102.77 3sqc n GLY 409 Ca -0.03 -0.06 0.12 0.00 0.00 0.00 0.00 46.02 46.05 3sqc n GLY 409 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3sqc n MET 410 N -1.35 0.67 -1.74 1.61 2.00 -0.18 -4.95 117.12 113.18 3sqc n MET 410 Ca 0.06 -0.50 -0.42 0.00 0.00 0.00 0.00 57.70 56.84 3sqc n MET 410 Cb 0.13 -1.49 -0.00 0.00 0.00 0.00 0.00 33.22 31.86 3sqc n MET 410 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 175.97 176.91 3sqc n GLN 411 N -0.73 2.43 -2.55 0.03 7.27 -0.97 -4.66 117.38 118.20 3sqc n GLN 411 Ca 0.09 0.85 -0.23 0.00 0.07 0.00 0.00 57.00 57.77 3sqc n GLN 411 Cb 0.38 -2.52 0.09 0.00 2.41 0.00 0.00 30.24 30.60 3sqc n GLN 411 CO 0.00 0.00 0.00 -1.12 0.07 0.00 0.00 177.06 176.01 3sqc s SER 412 N -0.22 4.60 0.16 1.69 0.01 -0.72 -4.90 113.70 114.32 3sqc s SER 412 Ca 0.54 -0.18 -0.15 0.00 1.31 0.00 0.00 55.95 57.47 3sqc s SER 412 Cb -0.52 -0.35 0.07 0.00 0.21 0.00 0.00 66.02 65.44 3sqc s SER 412 CO 0.63 -1.68 1.76 0.28 0.41 0.00 0.00 173.24 174.64 3sqc h SER 413 N -0.41 0.20 0.36 2.44 0.02 -1.95 -2.74 113.55 111.47 3sqc h SER 413 Ca -0.39 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.60 3sqc h SER 413 Cb 1.28 0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.82 3sqc h SER 413 CO 0.45 0.15 0.00 -0.46 -1.14 0.00 0.00 176.83 175.83 3sqc n ASN 414 N -4.98 0.00 0.00 3.07 0.23 -1.26 -4.86 115.26 107.45 3sqc n ASN 414 Ca 0.02 0.33 0.00 0.00 -0.53 0.00 0.00 54.58 54.40 3sqc n ASN 414 Cb 0.13 -0.41 0.00 0.00 -2.08 0.00 0.00 39.78 37.42 3sqc n ASN 414 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3sqc n GLY 415 N -0.19 2.75 0.00 4.83 0.00 -1.03 -4.54 105.19 107.01 3sqc n GLY 415 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 3sqc n GLY 415 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3sqc n GLY 416 N -1.37 1.02 3.03 -0.02 0.00 -1.26 -3.57 105.19 103.01 3sqc n GLY 416 Ca 0.00 -1.97 -0.15 0.00 0.00 0.00 0.00 46.02 43.90 3sqc n GLY 416 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3sqc s TRP 417 N 0.66 0.66 0.56 1.61 0.51 -1.26 -1.76 118.94 119.92 3sqc s TRP 417 Ca 0.00 -0.32 0.08 0.00 -2.12 0.00 0.00 56.10 53.74 3sqc s TRP 417 Cb 0.00 -0.40 0.10 0.00 -0.81 0.00 0.00 33.47 32.35 3sqc s TRP 417 CO 0.00 -0.04 0.78 0.41 -0.51 0.00 0.00 176.95 177.59 3sqc n GLY 418 N 2.10 1.83 0.07 0.98 0.00 -1.26 -0.94 105.19 107.96 3sqc n GLY 418 Ca -0.18 -2.20 -0.10 0.00 0.00 0.00 0.00 46.02 43.54 3sqc n GLY 418 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3sqc h ALA 419 N 0.06 -0.02 0.00 4.61 0.00 -1.83 -3.42 119.26 118.66 3sqc h ALA 419 Ca -0.26 -0.32 -0.17 0.00 0.00 0.00 0.00 54.91 54.16 3sqc h ALA 419 Cb 1.18 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.95 3sqc h ALA 419 CO 0.36 -0.04 -1.63 0.66 0.00 0.00 0.00 179.25 178.61 3sqc n TYR 420 N -4.70 0.00 -4.29 0.00 4.01 -1.26 -0.28 117.16 110.64 3sqc n TYR 420 Ca -0.07 0.00 -0.26 0.00 -0.16 0.00 0.00 57.90 57.41 3sqc n TYR 420 Cb 0.31 -0.43 -0.08 0.00 -0.31 0.00 0.00 39.34 38.83 3sqc n TYR 420 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 3sqc s ASP 421 N -4.90 4.26 -0.15 7.72 1.01 -1.26 -4.74 116.67 118.61 3sqc s ASP 421 Ca -0.13 -1.19 -0.06 0.00 0.71 0.00 0.00 52.55 51.88 3sqc s ASP 421 Cb 0.04 -0.39 -0.04 0.00 1.01 0.00 0.00 42.92 43.54 3sqc s ASP 421 CO 0.27 -0.55 0.06 -0.69 0.21 0.00 0.00 175.17 174.48 3sqc s VAL 422 N -2.65 4.79 -1.61 -1.27 1.01 -1.26 -4.24 120.40 115.17 3sqc s VAL 422 Ca 0.38 -0.05 -0.10 0.00 0.00 0.00 0.00 61.98 62.21 3sqc s VAL 422 Cb 0.05 -3.11 0.09 0.00 0.00 0.00 0.00 36.38 33.41 3sqc s VAL 422 CO 0.20 0.52 0.48 0.47 0.00 0.00 0.00 175.10 176.77 3sqc n ASP 423 N 2.96 -1.27 -3.55 3.32 8.00 -1.26 -4.82 116.55 119.93 3sqc n ASP 423 Ca -0.18 -1.10 -0.41 0.00 0.71 0.00 0.00 54.79 53.82 3sqc n ASP 423 Cb 0.53 -2.42 -0.01 0.00 -0.02 0.00 0.00 41.12 39.20 3sqc n ASP 423 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 3sqc n ASN 424 N -2.78 7.26 -0.00 -2.24 2.85 -1.25 -4.45 115.26 114.65 3sqc n ASN 424 Ca -0.12 -3.01 0.08 0.00 -0.11 0.00 0.00 54.58 51.42 3sqc n ASN 424 Cb 0.59 -1.44 -0.10 0.00 1.24 0.00 0.00 39.78 40.07 3sqc n ASN 424 CO 0.00 0.00 0.00 0.35 -2.11 0.00 0.00 177.26 175.50 3sqc n THR 425 N 2.64 0.00 -1.73 -0.44 -2.24 -1.26 -2.99 114.28 108.26 3sqc n THR 425 Ca 0.60 -0.11 -0.67 0.00 -2.27 0.00 0.00 64.05 61.60 3sqc n THR 425 Cb 0.28 0.97 -0.10 0.00 -2.10 0.00 0.00 70.33 69.38 3sqc n THR 425 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 3sqc n SER 426 N -1.43 1.09 0.09 3.42 2.88 -1.26 -4.83 113.62 113.58 3sqc n SER 426 Ca 0.03 1.19 0.13 0.00 -1.33 0.00 0.00 58.87 58.89 3sqc n SER 426 Cb 0.27 -0.88 0.37 0.00 -0.75 0.00 0.00 64.21 63.22 3sqc n SER 426 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 3sqc n ASP 427 N 3.75 0.77 -0.01 -3.46 2.03 -1.26 -4.36 116.55 114.01 3sqc n ASP 427 Ca 0.30 0.49 -0.10 0.00 0.52 0.00 0.00 54.79 56.00 3sqc n ASP 427 Cb -0.05 -0.62 -0.04 0.00 -0.72 0.00 0.00 41.12 39.70 3sqc n ASP 427 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 3sqc h LEU 428 N 0.00 -1.00 -1.95 -2.67 -0.00 -1.97 -3.04 115.31 104.69 3sqc h LEU 428 Ca 0.00 0.15 0.11 0.00 -0.00 0.00 0.00 57.88 58.14 3sqc h LEU 428 Cb 0.73 0.43 -0.02 0.00 -0.00 0.00 0.00 40.66 41.81 3sqc h LEU 428 CO 0.00 -0.35 0.29 1.55 -0.00 0.00 0.00 178.44 179.93 3sqc h PRO 429 N -0.37 0.06 0.00 1.13 0.13 -1.91 -2.64 132.00 128.39 3sqc h PRO 429 Ca 0.11 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.23 3sqc h PRO 429 Cb 0.54 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.66 3sqc h PRO 429 CO -0.38 0.04 0.00 0.09 -0.23 0.00 0.00 178.00 177.52 3sqc n ASN 430 N -4.43 0.00 -0.18 1.44 3.02 -1.15 -2.58 115.26 111.38 3sqc n ASN 430 Ca 0.07 0.04 0.06 0.00 -0.03 0.00 0.00 54.58 54.72 3sqc n ASN 430 Cb 0.44 -0.21 -0.03 0.00 -0.61 0.00 0.00 39.78 39.38 3sqc n ASN 430 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 3sqc n HIS 431 N -1.21 0.00 -2.23 3.10 8.25 -0.99 -1.68 115.22 120.46 3sqc n HIS 431 Ca 0.05 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.10 3sqc n HIS 431 Cb 0.06 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.14 3sqc n HIS 431 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 3sqc s ILE 432 N -1.91 2.96 0.51 1.59 1.01 -1.06 -4.28 121.20 120.01 3sqc s ILE 432 Ca 0.09 0.97 0.27 0.00 0.00 0.00 0.00 60.65 61.97 3sqc s ILE 432 Cb 0.11 -3.62 0.44 0.00 0.01 0.00 0.00 42.46 39.40 3sqc s ILE 432 CO 0.42 0.23 1.90 -0.65 0.00 0.00 0.00 174.94 176.85 3sqc h PRO 433 N 3.53 0.10 -0.07 2.79 0.11 -1.92 -1.82 132.00 134.72 3sqc h PRO 433 Ca -0.48 -0.01 -0.19 0.00 0.11 0.00 0.00 66.00 65.44 3sqc h PRO 433 Cb 1.22 -0.02 -0.00 0.00 0.11 0.00 0.00 31.00 32.30 3sqc h PRO 433 CO 0.66 0.06 -0.75 0.35 -0.21 0.00 0.00 178.00 178.11 3sqc h PHE 434 N 0.10 0.54 -0.55 0.65 3.57 -1.90 -3.40 116.94 115.94 3sqc h PHE 434 Ca 0.40 -0.24 -0.72 0.00 3.53 0.00 0.00 57.97 60.94 3sqc h PHE 434 Cb 1.43 -0.08 -0.08 0.00 2.79 0.00 0.00 35.95 40.02 3sqc h PHE 434 CO -0.00 1.00 2.66 0.00 -2.23 0.00 0.00 178.31 179.74 3sqc n ASP 436 N 6.02 2.87 -3.90 0.00 5.75 -1.26 -1.89 116.55 124.14 3sqc n ASP 436 Ca 0.48 -1.88 -0.27 0.00 -0.01 0.00 0.00 54.79 53.11 3sqc n ASP 436 Cb 0.40 -0.21 -0.17 0.00 -1.03 0.00 0.00 41.12 40.12 3sqc n ASP 436 CO 0.00 0.00 0.00 0.12 -0.11 0.00 0.00 177.20 177.21 3sqc s PHE 437 N -1.04 1.56 0.00 2.11 5.36 -1.26 -4.73 117.98 119.97 3sqc s PHE 437 Ca 0.25 -0.88 0.00 0.00 -0.96 0.00 0.00 56.93 55.35 3sqc s PHE 437 Cb 0.14 -1.26 0.00 0.00 -0.34 0.00 0.00 43.02 41.56 3sqc s PHE 437 CO 0.19 -0.56 0.00 0.41 -1.46 0.00 0.00 175.22 173.80 3sqc n GLY 438 N 4.92 -0.08 3.76 13.12 0.00 -1.26 -4.79 105.19 120.86 3sqc n GLY 438 Ca -0.12 -0.92 -0.39 0.00 0.00 0.00 0.00 46.02 44.58 3sqc n GLY 438 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3sqc s GLU 439 N 0.00 4.59 -0.00 1.61 0.41 -1.26 -4.91 118.70 119.13 3sqc s GLU 439 Ca 0.00 1.60 0.03 0.00 -0.41 0.00 0.00 54.97 56.20 3sqc s GLU 439 Cb 0.00 -3.03 -0.05 0.00 -1.78 0.00 0.00 34.13 29.28 3sqc s GLU 439 CO 0.00 0.22 0.09 0.28 -0.49 0.00 0.00 175.26 175.37 3sqc n VAL 440 N 0.92 0.00 -4.46 2.63 0.31 -1.26 -4.89 118.33 111.57 3sqc n VAL 440 Ca 0.00 -0.18 -0.26 0.00 -0.01 0.00 0.00 64.34 63.90 3sqc n VAL 440 Cb 0.47 0.59 -0.10 0.00 -0.91 0.00 0.00 33.84 33.89 3sqc n VAL 440 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 3sqc s THR 441 N -1.97 2.32 -0.62 2.52 -4.23 -1.26 -0.30 115.64 112.09 3sqc s THR 441 Ca -0.01 -2.05 0.06 0.00 -1.18 0.00 0.00 61.69 58.51 3sqc s THR 441 Cb 0.02 -2.79 0.22 0.00 1.34 0.00 0.00 72.50 71.29 3sqc s THR 441 CO 0.14 -0.14 0.63 -0.67 -0.54 0.00 0.00 174.62 174.04 3sqc n ASP 442 N -0.92 2.96 -4.90 3.99 2.03 -1.16 -4.68 116.55 113.87 3sqc n ASP 442 Ca -0.04 -3.24 -0.28 0.00 0.52 0.00 0.00 54.79 51.74 3sqc n ASP 442 Cb 0.64 -0.69 0.04 0.00 -0.72 0.00 0.00 41.12 40.39 3sqc n ASP 442 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 3sqc s PRO 443 N -1.91 2.92 0.82 -0.67 0.04 -1.16 -3.92 135.00 131.12 3sqc s PRO 443 Ca 0.35 0.23 -0.13 0.00 0.04 0.00 0.00 61.00 61.49 3sqc s PRO 443 Cb 0.09 -2.16 0.09 0.00 0.04 0.00 0.00 34.50 32.57 3sqc s PRO 443 CO -0.08 -0.84 1.19 -2.14 0.04 0.00 0.00 177.00 175.17 3sqc s PRO 444 N -5.16 1.55 0.04 0.56 0.02 -1.26 -4.51 135.00 126.24 3sqc s PRO 444 Ca 0.56 1.69 -0.05 0.00 0.02 0.00 0.00 61.00 63.21 3sqc s PRO 444 Cb -0.11 -1.77 -0.01 0.00 0.02 0.00 0.00 34.50 32.63 3sqc s PRO 444 CO 0.48 -2.27 0.10 -1.54 -0.33 0.00 0.00 177.00 173.44 3sqc s SER 445 N -2.31 0.19 0.16 2.53 1.04 -0.12 -4.88 113.70 110.31 3sqc s SER 445 Ca 0.71 -0.56 -0.16 0.00 0.48 0.00 0.00 55.95 56.42 3sqc s SER 445 Cb -0.27 0.23 0.09 0.00 0.10 0.00 0.00 66.02 66.18 3sqc s SER 445 CO 0.52 -0.53 1.72 -0.33 0.98 0.00 0.00 173.24 175.60 3sqc h GLU 446 N 3.58 0.15 0.00 4.02 3.07 -1.87 -2.67 114.58 120.86 3sqc h GLU 446 Ca -0.33 -0.01 -0.00 0.00 -0.50 0.00 0.00 59.36 58.52 3sqc h GLU 446 Cb 1.18 -0.03 0.00 0.00 -0.84 0.00 0.00 28.75 29.06 3sqc h GLU 446 CO 0.52 0.10 -0.00 0.38 -1.40 0.00 0.00 179.01 178.61 3sqc h ASP 447 N 0.16 -0.00 -0.51 1.42 2.03 -1.90 0.16 116.42 117.78 3sqc h ASP 447 Ca 0.18 -0.19 0.07 0.00 -0.73 0.00 0.00 57.03 56.37 3sqc h ASP 447 Cb 0.24 0.00 -0.06 0.00 -0.83 0.00 0.00 39.33 38.68 3sqc h ASP 447 CO -0.27 0.19 0.18 0.58 -1.03 0.00 0.00 179.24 178.89 3sqc h VAL 448 N -0.19 0.83 -0.91 4.15 2.07 -1.84 -0.18 116.25 120.18 3sqc h VAL 448 Ca -0.00 -0.12 -0.02 0.00 0.82 0.00 0.00 66.70 67.38 3sqc h VAL 448 Cb 0.19 0.43 -0.04 0.00 -1.52 0.00 0.00 31.29 30.35 3sqc h VAL 448 CO 0.00 0.07 0.51 0.74 0.02 0.00 0.00 177.57 178.90 3sqc h THR 449 N 0.36 1.26 -0.77 2.57 2.02 -1.29 -1.25 112.91 115.82 3sqc h THR 449 Ca 0.25 -0.64 -0.06 0.00 0.77 0.00 0.00 66.41 66.73 3sqc h THR 449 Cb 0.26 0.02 -0.03 0.00 -1.74 0.00 0.00 68.15 66.66 3sqc h THR 449 CO -0.25 0.29 0.26 0.00 0.37 0.00 0.00 175.52 176.20 3sqc h ALA 450 N 1.28 1.01 -0.17 6.16 0.00 0.42 -0.41 119.26 127.54 3sqc h ALA 450 Ca 0.32 -0.22 -0.10 0.00 0.00 0.00 0.00 54.91 54.91 3sqc h ALA 450 Cb 0.02 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.49 3sqc h ALA 450 CO -0.05 0.67 -0.34 0.45 0.00 0.00 0.00 179.25 179.98 3sqc h HIS 451 N 1.14 0.41 -0.07 0.00 3.86 -0.41 -0.76 115.15 119.31 3sqc h HIS 451 Ca 0.25 -0.10 -0.02 0.00 -1.16 0.00 0.00 60.37 59.34 3sqc h HIS 451 Cb 0.28 -0.10 -0.00 0.00 1.06 0.00 0.00 27.41 28.65 3sqc h HIS 451 CO 0.02 0.66 -0.03 0.28 0.86 0.00 0.00 177.93 179.73 3sqc h VAL 452 N 0.31 1.32 -0.98 2.45 2.07 -0.93 -2.61 116.25 117.88 3sqc h VAL 452 Ca 0.04 -1.02 0.07 0.00 0.82 0.00 0.00 66.70 66.60 3sqc h VAL 452 Cb 0.76 1.85 -0.07 0.00 -1.52 0.00 0.00 31.29 32.31 3sqc h VAL 452 CO 0.06 0.28 0.63 -0.07 0.02 0.00 0.00 177.57 178.49 3sqc h LEU 453 N -0.21 1.01 -0.91 2.57 4.07 -0.76 -0.28 115.31 120.78 3sqc h LEU 453 Ca 0.02 0.01 -0.08 0.00 0.08 0.00 0.00 57.88 57.91 3sqc h LEU 453 Cb 0.47 -0.20 -0.01 0.00 1.08 0.00 0.00 40.66 41.99 3sqc h LEU 453 CO 0.01 0.64 -0.36 -0.08 -1.08 0.00 0.00 178.44 177.57 3sqc h GLU 454 N 1.14 0.00 0.32 1.13 4.81 -1.13 0.34 114.58 121.19 3sqc h GLU 454 Ca 0.43 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.64 3sqc h GLU 454 Cb 0.18 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.56 3sqc h GLU 454 CO -0.18 0.36 -0.15 0.00 -0.73 0.00 0.00 179.01 178.32 3sqc h PHE 456 N -0.77 1.06 -0.35 0.00 0.04 -1.23 -2.24 116.94 113.46 3sqc h PHE 456 Ca -0.04 0.03 0.08 0.00 2.80 0.00 0.00 57.97 60.83 3sqc h PHE 456 Cb 0.51 -0.35 -0.08 0.00 2.20 0.00 0.00 35.95 38.23 3sqc h PHE 456 CO 0.02 0.61 -0.16 0.78 -0.60 0.00 0.00 178.31 178.97 3sqc h GLY 457 N 1.09 0.12 1.75 -1.45 0.00 -0.72 -0.32 103.07 103.55 3sqc h GLY 457 Ca 0.35 0.20 0.03 0.00 0.00 0.00 0.00 47.33 47.91 3sqc h GLY 457 CO -0.11 -0.17 0.09 1.48 0.00 0.00 0.00 176.54 177.83 3sqc h SER 458 N -0.10 0.00 -0.10 0.19 4.64 -0.72 -0.31 113.55 117.15 3sqc h SER 458 Ca 0.18 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.50 3sqc h SER 458 Cb 0.37 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.46 3sqc h SER 458 CO -0.41 0.00 0.00 0.49 -0.87 0.00 0.00 176.83 176.04 3sqc n PHE 459 N -4.14 0.16 -0.13 4.77 3.72 -0.14 -4.90 117.46 116.79 3sqc n PHE 459 Ca -0.00 -0.07 0.00 0.00 -0.05 0.00 0.00 57.45 57.32 3sqc n PHE 459 Cb 0.21 -0.02 0.00 0.00 -0.94 0.00 0.00 39.48 38.72 3sqc n PHE 459 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3sqc n GLY 460 N 0.58 2.46 3.77 1.37 0.00 -0.13 -5.03 105.19 108.20 3sqc n GLY 460 Ca 0.03 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.74 3sqc n GLY 460 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3sqc s TYR 461 N -3.04 2.58 0.00 1.61 1.51 -1.17 -5.03 117.35 113.82 3sqc s TYR 461 Ca 0.00 1.56 0.00 0.00 -1.01 0.00 0.00 57.07 57.62 3sqc s TYR 461 Cb 0.00 -3.09 0.00 0.00 -0.11 0.00 0.00 41.96 38.76 3sqc s TYR 461 CO 0.00 -1.78 0.00 -0.40 -1.11 0.00 0.00 175.55 172.26 3sqc n ASP 462 N -3.19 0.00 0.32 2.29 5.68 -1.26 -4.51 116.55 115.87 3sqc n ASP 462 Ca 0.10 -0.37 0.20 0.00 -0.50 0.00 0.00 54.79 54.22 3sqc n ASP 462 Cb 0.53 0.00 1.11 0.00 -1.14 0.00 0.00 41.12 41.61 3sqc n ASP 462 CO 0.00 0.00 0.00 -0.78 -1.33 0.00 0.00 177.20 175.09 3sqc h ASP 463 N 0.00 0.00 0.29 -1.12 3.58 -1.89 -2.46 116.42 114.83 3sqc h ASP 463 Ca 0.00 0.00 -0.08 0.00 0.42 0.00 0.00 57.03 57.37 3sqc h ASP 463 Cb 0.00 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.04 3sqc h ASP 463 CO 0.00 0.00 -0.34 0.00 -2.88 0.00 0.00 179.24 176.03 3sqc h ALA 464 N 2.00 1.37 -2.47 -0.78 0.00 -1.96 -3.38 119.26 114.05 3sqc h ALA 464 Ca -0.00 -0.32 -0.54 0.00 0.00 0.00 0.00 54.91 54.05 3sqc h ALA 464 Cb 0.01 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.73 3sqc h ALA 464 CO 0.00 0.46 0.58 -0.46 0.00 0.00 0.00 179.25 179.83 3sqc s TRP 465 N -4.28 3.40 0.27 0.00 -0.00 -0.93 -4.94 118.94 112.46 3sqc s TRP 465 Ca -0.03 1.27 -0.00 0.00 -0.00 0.00 0.00 56.10 57.34 3sqc s TRP 465 Cb 0.14 -3.43 0.53 0.00 -0.00 0.00 0.00 33.47 30.72 3sqc s TRP 465 CO 0.73 -1.33 1.80 0.87 -0.00 0.00 0.00 176.95 179.02 3sqc h LYS 466 N 6.89 0.81 -0.06 5.86 1.57 -1.88 -1.93 116.57 127.82 3sqc h LYS 466 Ca -0.41 -0.05 0.03 0.00 -1.87 0.00 0.00 60.65 58.35 3sqc h LYS 466 Cb 1.21 -0.18 -0.04 0.00 0.08 0.00 0.00 32.23 33.30 3sqc h LYS 466 CO 0.82 0.53 -0.15 0.28 -0.57 0.00 0.00 179.45 180.37 3sqc h VAL 467 N 0.83 0.62 -0.19 0.50 2.07 -1.94 -1.93 116.25 116.21 3sqc h VAL 467 Ca 0.48 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.99 3sqc h VAL 467 Cb 0.55 0.62 -0.01 0.00 -1.52 0.00 0.00 31.29 30.93 3sqc h VAL 467 CO -0.30 0.00 0.09 0.40 0.02 0.00 0.00 177.57 177.78 3sqc h ILE 468 N -0.21 1.13 -0.45 4.57 2.04 -1.74 -2.70 117.51 120.14 3sqc h ILE 468 Ca 0.07 -0.36 0.08 0.00 1.00 0.00 0.00 64.86 65.65 3sqc h ILE 468 Cb 0.31 1.02 -0.07 0.00 -0.74 0.00 0.00 36.82 37.34 3sqc h ILE 468 CO -0.19 0.12 -0.01 -0.09 0.00 0.00 0.00 178.15 177.98 3sqc h ARG 469 N 0.18 0.10 -0.89 2.37 2.43 -1.13 0.14 114.38 117.57 3sqc h ARG 469 Ca 0.06 -0.01 0.05 0.00 -0.81 0.00 0.00 59.98 59.28 3sqc h ARG 469 Cb 0.11 -0.02 -0.05 0.00 -0.42 0.00 0.00 29.97 29.58 3sqc h ARG 469 CO -0.01 0.06 0.58 0.00 -1.51 0.00 0.00 179.97 179.10 3sqc h ARG 470 N 0.10 1.02 -0.18 0.20 3.08 -1.27 0.23 114.38 117.57 3sqc h ARG 470 Ca 0.22 -0.06 -0.03 0.00 0.07 0.00 0.00 59.98 60.18 3sqc h ARG 470 Cb 0.33 -0.23 -0.01 0.00 0.08 0.00 0.00 29.97 30.14 3sqc h ARG 470 CO -0.38 0.68 -0.02 0.00 -1.07 0.00 0.00 179.97 179.18 3sqc h ALA 471 N 1.50 0.24 -0.59 0.04 0.00 -0.88 -2.03 119.26 117.54 3sqc h ALA 471 Ca 0.37 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 55.05 3sqc h ALA 471 Cb 0.11 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 3sqc h ALA 471 CO -0.12 -0.02 0.37 0.28 0.00 0.00 0.00 179.25 179.76 3sqc h VAL 472 N 0.06 1.16 -0.60 0.00 2.07 0.15 -1.20 116.25 117.89 3sqc h VAL 472 Ca 0.05 -0.34 0.09 0.00 0.82 0.00 0.00 66.70 67.32 3sqc h VAL 472 Cb 0.44 0.33 -0.07 0.00 -1.52 0.00 0.00 31.29 30.46 3sqc h VAL 472 CO 0.01 0.16 0.23 -0.33 0.02 0.00 0.00 177.57 177.67 3sqc h GLU 473 N 0.80 0.41 -0.36 1.57 4.39 -0.48 -0.99 114.58 119.92 3sqc h GLU 473 Ca 0.21 -0.02 0.04 0.00 0.34 0.00 0.00 59.36 59.93 3sqc h GLU 473 Cb -0.05 -0.09 -0.04 0.00 -0.10 0.00 0.00 28.75 28.46 3sqc h GLU 473 CO -0.04 0.27 0.12 -0.92 -1.16 0.00 0.00 179.01 177.28 3sqc h TYR 474 N 0.42 0.21 -0.51 4.33 3.20 -0.60 -2.67 116.97 121.35 3sqc h TYR 474 Ca 0.30 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 62.15 3sqc h TYR 474 Cb 0.35 -0.04 -0.02 0.00 1.54 0.00 0.00 36.73 38.55 3sqc h TYR 474 CO -0.16 0.08 0.19 -0.07 -1.64 0.00 0.00 178.16 176.56 3sqc h LEU 475 N 0.26 0.72 -1.57 2.82 3.38 -0.30 -2.55 115.31 118.07 3sqc h LEU 475 Ca 0.16 -0.18 0.02 0.00 0.09 0.00 0.00 57.88 57.97 3sqc h LEU 475 Cb 0.15 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 3sqc h LEU 475 CO -0.18 0.71 0.31 0.11 0.09 0.00 0.00 178.44 179.49 3sqc h LYS 476 N 0.69 0.56 0.00 1.13 1.57 -1.00 -1.98 116.57 117.54 3sqc h LYS 476 Ca 0.17 -0.03 -0.09 0.00 -1.87 0.00 0.00 60.65 58.82 3sqc h LYS 476 Cb 0.23 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.40 3sqc h LYS 476 CO -0.01 0.37 -0.47 0.00 -0.57 0.00 0.00 179.45 178.77 3sqc h ARG 477 N 0.57 0.00 0.00 3.15 3.08 -1.24 -3.23 114.38 116.71 3sqc h ARG 477 Ca 0.18 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.23 3sqc h ARG 477 Cb 0.03 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.08 3sqc h ARG 477 CO -0.04 0.42 -0.45 0.39 -1.07 0.00 0.00 179.97 179.21 3sqc n GLU 478 N -3.19 0.14 -1.70 0.04 -0.58 -0.80 -4.92 120.64 109.64 3sqc n GLU 478 Ca 0.02 0.05 -0.43 0.00 -0.42 0.00 0.00 57.16 56.38 3sqc n GLU 478 Cb 0.71 -1.60 -0.03 0.00 -0.57 0.00 0.00 31.44 29.95 3sqc n GLU 478 CO 0.00 0.00 0.00 0.94 -0.48 0.00 0.00 177.13 177.59 3sqc n GLN 479 N -1.81 2.63 -2.14 3.49 7.27 -0.90 -4.84 117.38 121.08 3sqc n GLN 479 Ca 0.05 0.95 -0.37 0.00 0.07 0.00 0.00 57.00 57.70 3sqc n GLN 479 Cb 0.39 -2.79 0.01 0.00 2.41 0.00 0.00 30.24 30.25 3sqc n GLN 479 CO 0.00 0.00 0.00 0.15 0.07 0.00 0.00 177.06 177.28 3sqc s LYS 480 N 1.62 3.41 0.34 3.69 3.01 0.69 -4.88 119.74 127.61 3sqc s LYS 480 Ca 0.78 1.82 0.13 0.00 -1.01 0.00 0.00 55.97 57.69 3sqc s LYS 480 Cb -0.54 -2.19 1.06 0.00 -1.01 0.00 0.00 37.83 35.15 3sqc s LYS 480 CO 0.35 -0.85 1.64 -1.35 0.51 0.00 0.00 175.35 175.65 3sqc h PRO 481 N 1.53 0.22 0.00 -1.68 0.11 -1.93 0.97 132.00 131.22 3sqc h PRO 481 Ca -0.50 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.60 3sqc h PRO 481 Cb 1.27 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.33 3sqc h PRO 481 CO 0.58 0.14 0.00 -0.40 -0.21 0.00 0.00 178.00 178.11 3sqc n ASP 482 N -5.14 0.00 0.00 -2.05 5.75 -1.26 -4.88 116.55 108.97 3sqc n ASP 482 Ca 0.31 -1.02 0.00 0.00 -0.01 0.00 0.00 54.79 54.07 3sqc n ASP 482 Cb 0.99 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 41.08 3sqc n ASP 482 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3sqc n GLY 483 N 0.83 0.73 4.00 6.12 0.00 0.34 -4.79 105.19 112.41 3sqc n GLY 483 Ca 0.20 -0.20 -0.18 0.00 0.00 0.00 0.00 46.02 45.84 3sqc n GLY 483 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3sqc s SER 484 N -2.18 5.49 -0.10 1.61 1.04 -1.21 -3.85 113.70 114.49 3sqc s SER 484 Ca 0.00 -0.53 0.00 0.00 0.48 0.00 0.00 55.95 55.90 3sqc s SER 484 Cb 0.00 -0.49 0.02 0.00 0.10 0.00 0.00 66.02 65.65 3sqc s SER 484 CO 0.00 -0.84 -0.09 0.26 0.98 0.00 0.00 173.24 173.56 3sqc s TRP 485 N -2.42 1.47 0.32 5.02 0.51 -1.26 -0.22 118.94 122.35 3sqc s TRP 485 Ca 0.55 -0.69 -0.29 0.00 -2.12 0.00 0.00 56.10 53.55 3sqc s TRP 485 Cb -0.08 -1.19 -0.12 0.00 -0.81 0.00 0.00 33.47 31.26 3sqc s TRP 485 CO 0.33 -0.46 1.36 0.34 -0.51 0.00 0.00 176.95 178.01 3sqc n PHE 486 N 4.69 2.39 -3.43 -1.98 7.35 -1.26 -2.66 117.46 122.56 3sqc n PHE 486 Ca -0.15 0.49 -0.43 0.00 -0.76 0.00 0.00 57.45 56.60 3sqc n PHE 486 Cb 0.50 -2.45 -0.09 0.00 0.35 0.00 0.00 39.48 37.79 3sqc n PHE 486 CO 0.00 0.00 0.00 0.20 -0.76 0.00 0.00 176.76 176.20 3sqc s GLY 487 N -0.09 2.02 -0.03 7.13 0.00 -1.22 -4.40 107.32 110.72 3sqc s GLY 487 Ca 0.59 -1.83 -0.21 0.00 0.00 0.00 0.00 44.72 43.27 3sqc s GLY 487 CO 0.59 0.97 0.94 -0.09 0.00 0.00 0.00 173.10 175.51 3sqc h ARG 488 N 8.67 0.34 0.00 2.90 9.65 -1.94 -3.37 114.38 130.63 3sqc h ARG 488 Ca -0.27 -0.54 0.00 0.00 -1.10 0.00 0.00 59.98 58.07 3sqc h ARG 488 Cb 1.12 0.19 0.00 0.00 -1.39 0.00 0.00 29.97 29.89 3sqc h ARG 488 CO 0.78 1.24 -0.87 0.91 2.80 0.00 0.00 179.97 184.83 3sqc n TRP 489 N -4.11 0.00 -4.23 2.20 7.02 -1.26 -4.71 117.44 112.35 3sqc n TRP 489 Ca -0.13 0.00 -0.19 0.00 -1.02 0.00 0.00 57.50 56.16 3sqc n TRP 489 Cb 0.82 -0.07 -0.11 0.00 -2.42 0.00 0.00 31.31 29.53 3sqc n TRP 489 CO 0.00 0.00 0.00 0.20 -2.02 0.00 0.00 177.69 175.87 3sqc s GLY 490 N -2.59 1.06 -0.61 6.99 0.00 -1.26 -1.82 107.32 109.07 3sqc s GLY 490 Ca 0.03 -1.23 -0.26 0.00 0.00 0.00 0.00 44.72 43.27 3sqc s GLY 490 CO 0.58 -1.27 2.44 -0.62 0.00 0.00 0.00 173.10 174.23 3sqc n VAL 491 N 0.77 -0.06 -0.51 1.40 0.31 -0.89 -4.53 118.33 114.80 3sqc n VAL 491 Ca -0.17 -0.66 0.00 0.00 -0.01 0.00 0.00 64.34 63.50 3sqc n VAL 491 Cb 0.56 -2.35 0.00 0.00 -0.91 0.00 0.00 33.84 31.14 3sqc n VAL 491 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 3sqc n ASN 492 N 15.69 -0.11 -0.45 4.52 3.02 -1.26 -3.77 115.26 132.89 3sqc n ASN 492 Ca 0.43 0.00 0.38 0.00 -0.03 0.00 0.00 54.58 55.35 3sqc n ASN 492 Cb 0.46 0.00 0.66 0.00 -0.61 0.00 0.00 39.78 40.29 3sqc n ASN 492 CO 0.00 0.00 0.00 1.88 -2.62 0.00 0.00 177.26 176.52 3sqc h TYR 493 N 0.00 0.49 -0.21 3.10 0.05 -1.88 0.52 116.97 119.03 3sqc h TYR 493 Ca 0.00 0.02 -0.15 0.00 0.05 0.00 0.00 58.73 58.65 3sqc h TYR 493 Cb 0.00 -0.12 -0.01 0.00 1.01 0.00 0.00 36.73 37.61 3sqc h TYR 493 CO 0.00 -0.19 -0.51 -0.07 -1.05 0.00 0.00 178.16 176.34 3sqc h LEU 494 N 0.08 0.63 0.54 3.88 3.38 -1.82 -0.58 115.31 121.42 3sqc h LEU 494 Ca 0.82 -0.32 -0.03 0.00 0.09 0.00 0.00 57.88 58.44 3sqc h LEU 494 Cb 2.62 -0.18 0.01 0.00 0.09 0.00 0.00 40.66 43.20 3sqc h LEU 494 CO -0.39 1.03 -0.26 0.22 0.09 0.00 0.00 178.44 179.13 3sqc h TYR 495 N 0.45 -0.67 0.25 1.13 3.20 -0.15 -0.95 116.97 120.23 3sqc h TYR 495 Ca 0.02 -0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.87 3sqc h TYR 495 Cb 1.05 0.22 -0.02 0.00 1.54 0.00 0.00 36.73 39.52 3sqc h TYR 495 CO 0.04 -0.37 -0.25 0.78 -1.64 0.00 0.00 178.16 176.72 3sqc h GLY 496 N -1.12 -0.56 0.86 1.82 0.00 -1.10 0.23 103.07 103.20 3sqc h GLY 496 Ca -0.07 0.29 0.04 0.00 0.00 0.00 0.00 47.33 47.58 3sqc h GLY 496 CO 0.12 -0.23 0.60 -0.84 0.00 0.00 0.00 176.54 176.19 3sqc h THR 497 N -0.54 1.15 -0.23 4.70 2.02 -0.87 0.34 112.91 119.49 3sqc h THR 497 Ca -0.01 -0.40 -0.01 0.00 0.77 0.00 0.00 66.41 66.77 3sqc h THR 497 Cb 0.50 -0.12 -0.01 0.00 -1.74 0.00 0.00 68.15 66.78 3sqc h THR 497 CO -0.06 0.21 0.12 1.23 0.37 0.00 0.00 175.52 177.40 3sqc h GLY 498 N 1.16 0.34 0.89 2.16 0.00 -0.85 -2.22 103.07 104.55 3sqc h GLY 498 Ca 0.37 -0.16 -0.02 0.00 0.00 0.00 0.00 47.33 47.53 3sqc h GLY 498 CO -0.13 0.15 0.09 0.00 0.00 0.00 0.00 176.54 176.66 3sqc h ALA 499 N 1.00 0.33 0.30 3.60 0.00 -0.09 -2.82 119.26 121.58 3sqc h ALA 499 Ca 0.08 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 3sqc h ALA 499 Cb 0.08 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.78 3sqc h ALA 499 CO -0.01 -0.06 -0.15 0.28 0.00 0.00 0.00 179.25 179.31 3sqc h VAL 500 N 0.25 0.71 -0.33 0.00 2.07 -0.29 -1.78 116.25 116.88 3sqc h VAL 500 Ca 0.08 -0.10 0.02 0.00 0.82 0.00 0.00 66.70 67.52 3sqc h VAL 500 Cb 0.21 0.77 -0.03 0.00 -1.52 0.00 0.00 31.29 30.73 3sqc h VAL 500 CO -0.00 0.02 0.16 0.58 0.02 0.00 0.00 177.57 178.35 3sqc h VAL 501 N -0.46 0.98 0.00 2.57 2.07 -1.47 0.41 116.25 120.35 3sqc h VAL 501 Ca -0.04 -0.12 -0.04 0.00 0.82 0.00 0.00 66.70 67.32 3sqc h VAL 501 Cb 0.35 0.62 -0.01 0.00 -1.52 0.00 0.00 31.29 30.73 3sqc h VAL 501 CO 0.07 0.06 -0.19 0.77 0.02 0.00 0.00 177.57 178.30 3sqc h SER 502 N 0.34 0.00 0.34 0.57 4.64 -1.48 -1.79 113.55 116.17 3sqc h SER 502 Ca 0.14 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.44 3sqc h SER 502 Cb 0.05 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.15 3sqc h SER 502 CO -0.10 0.19 -0.17 0.00 -0.87 0.00 0.00 176.83 175.88 3sqc h ALA 503 N 1.81 -0.46 -0.98 5.18 0.00 -0.45 -2.73 119.26 121.62 3sqc h ALA 503 Ca -0.00 -0.18 0.21 0.00 0.00 0.00 0.00 54.91 54.94 3sqc h ALA 503 Cb 0.47 0.18 -0.09 0.00 0.00 0.00 0.00 17.79 18.35 3sqc h ALA 503 CO 0.02 -0.50 0.62 -0.07 0.00 0.00 0.00 179.25 179.33 3sqc h LEU 504 N -0.99 0.61 -0.16 0.00 3.38 -0.63 0.66 115.31 118.18 3sqc h LEU 504 Ca -0.05 0.08 -0.03 0.00 0.09 0.00 0.00 57.88 57.97 3sqc h LEU 504 Cb 0.51 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.22 3sqc h LEU 504 CO 0.08 0.21 -0.01 0.50 0.09 0.00 0.00 178.44 179.30 3sqc h LYS 505 N 0.59 0.28 0.00 1.13 3.11 -1.39 -2.62 116.57 117.68 3sqc h LYS 505 Ca 0.55 -0.10 -0.00 0.00 -2.81 0.00 0.00 60.65 58.29 3sqc h LYS 505 Cb 1.10 -0.02 -0.00 0.00 -1.00 0.00 0.00 32.23 32.30 3sqc h LYS 505 CO -0.30 0.53 -0.01 0.00 -2.81 0.00 0.00 179.45 176.85 3sqc h ALA 506 N 0.75 1.53 -0.57 5.00 0.00 -0.56 -2.27 119.26 123.13 3sqc h ALA 506 Ca 0.04 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3sqc h ALA 506 Cb 0.41 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.19 3sqc h ALA 506 CO 0.01 0.01 0.00 1.33 0.00 0.00 0.00 179.25 180.60 3sqc n VAL 507 N -3.87 1.01 -0.02 0.00 0.24 -0.83 -4.56 118.33 110.30 3sqc n VAL 507 Ca -0.03 -0.84 0.00 0.00 -2.04 0.00 0.00 64.34 61.43 3sqc n VAL 507 Cb 0.09 0.28 0.00 0.00 -1.47 0.00 0.00 33.84 32.74 3sqc n VAL 507 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3sqc n GLY 508 N 1.29 0.98 3.65 7.63 0.00 -0.85 -2.69 105.19 115.20 3sqc n GLY 508 Ca 0.20 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.88 3sqc n GLY 508 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3sqc n ILE 509 N -2.00 2.40 -2.80 -0.61 2.08 -1.00 -4.93 119.36 112.51 3sqc n ILE 509 Ca 0.00 -0.28 -0.43 0.00 0.56 0.00 0.00 62.75 62.60 3sqc n ILE 509 Cb 0.00 -1.15 -0.04 0.00 -0.75 0.00 0.00 39.64 37.70 3sqc n ILE 509 CO 0.00 0.00 0.00 -0.62 0.56 0.00 0.00 176.55 176.49 3sqc s ASP 510 N -1.89 6.61 0.08 4.38 2.15 -1.26 -4.70 116.67 122.05 3sqc s ASP 510 Ca 0.73 0.42 0.06 0.00 0.43 0.00 0.00 52.55 54.19 3sqc s ASP 510 Cb -0.31 -2.46 0.32 0.00 -0.30 0.00 0.00 42.92 40.17 3sqc s ASP 510 CO 0.51 -0.94 1.19 0.35 -0.17 0.00 0.00 175.17 176.10 3sqc n THR 511 N 6.17 1.72 0.21 1.71 -2.24 -1.26 -1.92 114.28 118.66 3sqc n THR 511 Ca 0.07 0.55 0.09 0.00 -2.27 0.00 0.00 64.05 62.49 3sqc n THR 511 Cb 0.48 -1.54 0.32 0.00 -2.10 0.00 0.00 70.33 67.50 3sqc n THR 511 CO 0.00 0.00 0.00 -0.09 -0.57 0.00 0.00 175.07 174.41 3sqc h ARG 512 N 0.00 0.00 -6.23 -0.78 2.43 -1.90 -3.39 114.38 104.51 3sqc h ARG 512 Ca 0.00 0.00 -0.59 0.00 -0.81 0.00 0.00 59.98 58.58 3sqc h ARG 512 Cb 0.01 0.00 0.18 0.00 -0.42 0.00 0.00 29.97 29.74 3sqc h ARG 512 CO 0.00 0.22 -0.82 0.39 -1.51 0.00 0.00 179.97 178.25 3sqc n GLU 513 N -3.26 0.22 0.13 0.20 -0.58 -0.81 -4.76 120.64 111.79 3sqc n GLU 513 Ca 0.01 0.09 -0.14 0.00 -0.42 0.00 0.00 57.16 56.70 3sqc n GLU 513 Cb 0.51 -1.31 -0.08 0.00 -0.57 0.00 0.00 31.44 29.99 3sqc n GLU 513 CO 0.00 0.00 0.00 -1.35 -0.48 0.00 0.00 177.13 175.30 3sqc h PRO 514 N 0.08 -0.26 -0.16 3.49 0.11 -1.91 -2.24 132.00 131.10 3sqc h PRO 514 Ca -0.43 0.02 -0.02 0.00 0.11 0.00 0.00 66.00 65.68 3sqc h PRO 514 Cb 1.42 0.06 -0.01 0.00 0.11 0.00 0.00 31.00 32.58 3sqc h PRO 514 CO 0.44 -0.11 0.03 0.10 -0.21 0.00 0.00 178.00 178.25 3sqc h TYR 515 N -0.35 0.22 -0.08 0.65 -0.00 -1.97 0.53 116.97 115.96 3sqc h TYR 515 Ca -0.03 -0.00 -0.11 0.00 -0.00 0.00 0.00 58.73 58.59 3sqc h TYR 515 Cb 0.27 -0.07 0.00 0.00 -0.00 0.00 0.00 36.73 36.93 3sqc h TYR 515 CO -0.04 0.21 -0.37 0.82 -0.00 0.00 0.00 178.16 178.78 3sqc h ILE 516 N 0.22 1.40 -0.75 -0.90 2.04 -1.87 -2.83 117.51 114.83 3sqc h ILE 516 Ca 0.06 -1.74 -0.01 0.00 1.00 0.00 0.00 64.86 64.16 3sqc h ILE 516 Cb 0.11 2.27 -0.04 0.00 -0.74 0.00 0.00 36.82 38.42 3sqc h ILE 516 CO -0.00 0.51 0.42 1.56 0.00 0.00 0.00 178.15 180.64 3sqc h GLN 517 N -0.06 1.04 -0.90 2.37 1.08 -1.06 0.11 115.11 117.68 3sqc h GLN 517 Ca -0.02 -0.12 0.07 0.00 -1.45 0.00 0.00 58.65 57.14 3sqc h GLN 517 Cb 1.01 -0.21 -0.06 0.00 -0.05 0.00 0.00 27.48 28.18 3sqc h GLN 517 CO 0.08 0.76 0.58 -0.22 -0.95 0.00 0.00 178.83 179.08 3sqc h LYS 518 N 1.03 0.95 -0.05 1.46 3.64 -0.90 0.38 116.57 123.09 3sqc h LYS 518 Ca 0.26 -0.06 -0.09 0.00 -1.27 0.00 0.00 60.65 59.50 3sqc h LYS 518 Cb 0.02 -0.22 0.01 0.00 -0.41 0.00 0.00 32.23 31.63 3sqc h LYS 518 CO -0.04 0.63 -0.33 0.00 -2.27 0.00 0.00 179.45 177.44 3sqc h ALA 519 N 1.52 0.10 -0.83 5.00 0.00 -1.14 -2.69 119.26 121.22 3sqc h ALA 519 Ca 0.39 -0.46 0.10 0.00 0.00 0.00 0.00 54.91 54.95 3sqc h ALA 519 Cb 0.26 0.00 -0.08 0.00 0.00 0.00 0.00 17.79 17.98 3sqc h ALA 519 CO -0.15 0.17 0.47 -0.07 0.00 0.00 0.00 179.25 179.67 3sqc h LEU 520 N -0.23 0.67 -0.38 0.00 4.07 0.15 -1.06 115.31 118.53 3sqc h LEU 520 Ca -0.03 0.05 -0.00 0.00 0.08 0.00 0.00 57.88 57.98 3sqc h LEU 520 Cb 1.00 -0.07 -0.02 0.00 1.08 0.00 0.00 40.66 42.65 3sqc h LEU 520 CO 0.07 0.37 0.22 0.44 -1.08 0.00 0.00 178.44 178.46 3sqc h ASP 521 N 0.78 0.47 -0.89 -0.43 3.32 -0.28 -2.87 116.42 116.51 3sqc h ASP 521 Ca 0.41 -0.07 0.12 0.00 0.02 0.00 0.00 57.03 57.51 3sqc h ASP 521 Cb 0.40 -0.12 -0.08 0.00 0.22 0.00 0.00 39.33 39.75 3sqc h ASP 521 CO -0.26 0.40 0.52 -0.25 -1.72 0.00 0.00 179.24 177.93 3sqc h TRP 522 N 0.49 0.93 -0.33 4.55 7.01 -0.87 -1.52 115.95 126.22 3sqc h TRP 522 Ca 0.14 0.03 0.00 0.00 2.11 0.00 0.00 58.89 61.17 3sqc h TRP 522 Cb 0.03 -0.28 -0.02 0.00 -2.10 0.00 0.00 29.16 26.79 3sqc h TRP 522 CO -0.03 0.32 0.21 0.28 -2.79 0.00 0.00 178.44 176.43 3sqc h VAL 523 N 0.80 1.10 -0.37 2.65 2.07 -1.16 -2.92 116.25 118.43 3sqc h VAL 523 Ca 0.46 -0.22 -0.01 0.00 0.82 0.00 0.00 66.70 67.74 3sqc h VAL 523 Cb 0.52 0.65 -0.02 0.00 -1.52 0.00 0.00 31.29 30.92 3sqc h VAL 523 CO -0.29 0.10 0.17 -0.33 0.02 0.00 0.00 177.57 177.24 3sqc h GLU 524 N 0.44 0.50 0.00 1.57 5.08 -1.19 -2.63 114.58 118.35 3sqc h GLU 524 Ca 0.12 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.43 3sqc h GLU 524 Cb -0.02 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.13 3sqc h GLU 524 CO -0.02 0.40 0.00 1.04 -1.00 0.00 0.00 179.01 179.42 3sqc n GLN 525 N -4.42 0.83 0.00 2.33 6.02 -0.92 -3.14 117.38 118.08 3sqc n GLN 525 Ca 0.02 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.02 3sqc n GLN 525 Cb 0.12 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 29.88 3sqc n GLN 525 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.06 176.77 3sqc n HIS 526 N -1.02 0.00 -2.00 1.08 8.25 -0.99 -5.02 115.22 115.51 3sqc n HIS 526 Ca 0.20 -0.33 -0.42 0.00 -0.26 0.00 0.00 57.72 56.91 3sqc n HIS 526 Cb 0.11 -0.03 -0.03 0.00 1.12 0.00 0.00 29.99 31.15 3sqc n HIS 526 CO 0.00 0.00 0.00 -1.14 0.64 0.00 0.00 176.34 175.84 3sqc s GLN 527 N -0.66 4.23 0.65 -0.41 0.74 -1.19 -4.66 119.66 118.37 3sqc s GLN 527 Ca 0.00 2.27 -0.13 0.00 0.05 0.00 0.00 55.36 57.55 3sqc s GLN 527 Cb 0.00 -3.37 -0.01 0.00 1.10 0.00 0.00 33.01 30.73 3sqc s GLN 527 CO 0.00 -0.62 1.06 -0.80 -0.55 0.00 0.00 175.29 174.37 3sqc s ASN 528 N 1.67 5.58 0.30 6.67 0.01 0.10 -4.93 114.94 124.34 3sqc s ASN 528 Ca 0.70 1.69 0.06 0.00 -0.71 0.00 0.00 52.86 54.60 3sqc s ASN 528 Cb -0.40 -2.51 0.77 0.00 0.41 0.00 0.00 41.25 39.52 3sqc s ASN 528 CO 0.31 -1.31 1.74 1.55 -1.51 0.00 0.00 177.10 177.88 3sqc h PRO 529 N -0.23 0.59 0.00 -0.60 0.13 -1.94 0.12 132.00 130.07 3sqc h PRO 529 Ca -0.45 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 3sqc h PRO 529 Cb 1.21 -0.13 0.00 0.00 0.13 0.00 0.00 31.00 32.21 3sqc h PRO 529 CO 0.57 0.39 0.00 -0.40 -0.23 0.00 0.00 178.00 178.33 3sqc n ASP 530 N -4.88 0.00 0.00 1.44 5.68 -1.26 -4.84 116.55 112.69 3sqc n ASP 530 Ca 0.24 0.46 0.00 0.00 -0.50 0.00 0.00 54.79 54.99 3sqc n ASP 530 Cb 0.64 -0.47 0.00 0.00 -1.14 0.00 0.00 41.12 40.15 3sqc n ASP 530 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3sqc n GLY 531 N -0.89 2.89 1.22 6.12 0.00 0.43 -4.59 105.19 110.37 3sqc n GLY 531 Ca 0.02 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.97 3sqc n GLY 531 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3sqc n GLY 532 N -1.83 1.62 3.33 -0.02 0.00 -1.26 -2.89 105.19 104.15 3sqc n GLY 532 Ca 0.00 -2.11 -0.22 0.00 0.00 0.00 0.00 46.02 43.68 3sqc n GLY 532 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3sqc s TRP 533 N -0.31 1.85 -0.00 1.61 0.51 -1.26 -0.72 118.94 120.62 3sqc s TRP 533 Ca 0.20 -0.45 -0.19 0.00 -2.12 0.00 0.00 56.10 53.53 3sqc s TRP 533 Cb -0.01 -0.93 0.04 0.00 -0.81 0.00 0.00 33.47 31.75 3sqc s TRP 533 CO 0.13 0.32 0.41 0.20 -0.51 0.00 0.00 176.95 177.50 3sqc s GLY 534 N -2.57 -0.27 -0.21 0.98 0.00 -1.25 -1.10 107.32 102.90 3sqc s GLY 534 Ca 0.15 0.51 -0.05 0.00 0.00 0.00 0.00 44.72 45.33 3sqc s GLY 534 CO 0.06 0.25 0.38 1.85 0.00 0.00 0.00 173.10 175.64 3sqc s GLU 535 N -1.69 0.31 0.49 2.90 2.12 -1.25 -2.93 118.70 118.65 3sqc s GLU 535 Ca -0.10 0.74 -0.18 0.00 0.36 0.00 0.00 54.97 55.79 3sqc s GLU 535 Cb -0.03 -0.14 -0.09 0.00 0.26 0.00 0.00 34.13 34.14 3sqc s GLU 535 CO 0.03 -0.45 0.98 0.34 -0.54 0.00 0.00 175.26 175.62 3sqc s ASP 536 N 2.55 6.71 0.01 -1.70 2.15 0.97 -4.86 116.67 122.51 3sqc s ASP 536 Ca 0.06 1.61 0.04 0.00 0.43 0.00 0.00 52.55 54.69 3sqc s ASP 536 Cb -0.14 -2.52 0.19 0.00 -0.30 0.00 0.00 42.92 40.16 3sqc s ASP 536 CO -0.14 -0.52 1.14 0.00 -0.17 0.00 0.00 175.17 175.48 3sqc n ARG 538 N -1.53 0.09 0.00 0.00 1.74 -1.26 -3.12 116.66 112.57 3sqc n ARG 538 Ca 0.01 0.33 0.04 0.00 -0.77 0.00 0.00 57.85 57.46 3sqc n ARG 538 Cb 0.04 -1.67 0.23 0.00 -1.02 0.00 0.00 32.46 30.04 3sqc n ARG 538 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 3sqc n SER 539 N -1.83 0.00 -0.03 0.55 3.41 -0.85 -0.79 113.62 114.08 3sqc n SER 539 Ca 0.03 0.09 -0.07 0.00 -0.26 0.00 0.00 58.87 58.65 3sqc n SER 539 Cb 0.19 -0.24 -0.14 0.00 -0.26 0.00 0.00 64.21 63.77 3sqc n SER 539 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 3sqc n TYR 540 N -1.24 0.74 -0.08 7.33 4.01 -1.18 -4.51 117.16 122.22 3sqc n TYR 540 Ca 0.05 0.26 -0.10 0.00 -0.16 0.00 0.00 57.90 57.95 3sqc n TYR 540 Cb 0.06 -1.11 -0.04 0.00 -0.31 0.00 0.00 39.34 37.94 3sqc n TYR 540 CO 0.00 0.00 0.00 0.39 -0.46 0.00 0.00 176.86 176.79 3sqc n GLU 541 N -2.93 0.49 -3.52 -0.72 -0.58 -0.61 -4.86 120.64 107.91 3sqc n GLU 541 Ca -0.19 0.47 -0.42 0.00 -0.42 0.00 0.00 57.16 56.61 3sqc n GLU 541 Cb 1.03 -1.65 -0.10 0.00 -0.57 0.00 0.00 31.44 30.15 3sqc n GLU 541 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 3sqc s ASP 542 N -6.08 5.96 0.00 1.62 2.15 0.03 -4.96 116.67 115.39 3sqc s ASP 542 Ca -0.21 -0.85 0.06 0.00 0.43 0.00 0.00 52.55 51.98 3sqc s ASP 542 Cb 0.04 -2.11 0.31 0.00 -0.30 0.00 0.00 42.92 40.86 3sqc s ASP 542 CO 0.34 -0.39 1.00 -0.81 -0.17 0.00 0.00 175.17 175.14 3sqc n PRO 543 N 5.10 0.10 0.09 4.34 -0.04 -1.26 -1.59 135.00 141.73 3sqc n PRO 543 Ca -0.12 0.20 -0.04 0.00 -0.04 0.00 0.00 63.50 63.51 3sqc n PRO 543 Cb 0.47 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 32.36 3sqc n PRO 543 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3sqc h ALA 544 N 2.29 0.48 0.00 0.55 0.00 -1.92 -3.23 119.26 117.43 3sqc h ALA 544 Ca 0.00 -0.76 0.00 0.00 0.00 0.00 0.00 54.91 54.15 3sqc h ALA 544 Cb 0.05 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.72 3sqc h ALA 544 CO 0.00 1.03 0.00 0.66 0.00 0.00 0.00 179.25 180.94 3sqc n TYR 545 N -3.29 0.00 -1.60 0.00 4.01 -0.62 -4.80 117.16 110.86 3sqc n TYR 545 Ca 0.00 0.00 -0.46 0.00 -0.16 0.00 0.00 57.90 57.28 3sqc n TYR 545 Cb 0.87 0.00 -0.04 0.00 -0.31 0.00 0.00 39.34 39.86 3sqc n TYR 545 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3sqc n ALA 546 N -0.89 1.38 -1.02 -0.72 0.00 -1.22 0.09 120.51 118.13 3sqc n ALA 546 Ca 0.17 -0.01 -0.01 0.00 0.00 0.00 0.00 53.44 53.59 3sqc n ALA 546 Cb 0.08 -2.70 -0.00 0.00 0.00 0.00 0.00 19.45 16.82 3sqc n ALA 546 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3sqc n GLY 547 N 5.43 0.47 3.49 0.00 0.00 -1.26 -5.02 105.19 108.30 3sqc n GLY 547 Ca 0.29 -0.20 -0.33 0.00 0.00 0.00 0.00 46.02 45.78 3sqc n GLY 547 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3sqc s LYS 548 N -0.79 2.75 0.00 1.61 1.02 0.11 -4.67 119.74 119.78 3sqc s LYS 548 Ca 0.00 -0.64 0.00 0.00 0.02 0.00 0.00 55.97 55.35 3sqc s LYS 548 Cb 0.00 -2.50 0.00 0.00 -0.52 0.00 0.00 37.83 34.81 3sqc s LYS 548 CO 0.00 0.56 0.00 0.41 -0.92 0.00 0.00 175.35 175.40 3sqc n GLY 549 N 2.51 3.22 3.75 -3.33 0.00 -1.15 -0.02 105.19 110.17 3sqc n GLY 549 Ca -0.18 -1.38 -0.42 0.00 0.00 0.00 0.00 46.02 44.05 3sqc n GLY 549 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3sqc n ALA 550 N -1.59 2.30 -1.74 4.61 0.00 -1.26 -3.76 120.51 119.07 3sqc n ALA 550 Ca 0.00 0.36 -0.42 0.00 0.00 0.00 0.00 53.44 53.38 3sqc n ALA 550 Cb 0.00 -2.42 -0.01 0.00 0.00 0.00 0.00 19.45 17.02 3sqc n ALA 550 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3sqc n SER 551 N 1.23 3.62 -4.21 0.00 7.64 -1.26 -4.18 113.62 116.47 3sqc n SER 551 Ca 0.05 1.16 -0.19 0.00 1.01 0.00 0.00 58.87 60.90 3sqc n SER 551 Cb 0.37 -1.57 -0.12 0.00 -1.01 0.00 0.00 64.21 61.89 3sqc n SER 551 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 3sqc s THR 552 N -0.22 1.27 0.12 0.44 -4.23 -0.26 -4.91 115.64 107.85 3sqc s THR 552 Ca 0.63 -1.45 -0.23 0.00 -1.18 0.00 0.00 61.69 59.46 3sqc s THR 552 Cb -0.52 -1.27 -0.04 0.00 1.34 0.00 0.00 72.50 72.01 3sqc s THR 552 CO 0.51 -0.24 1.67 -0.65 -0.54 0.00 0.00 174.62 175.38 3sqc h PRO 553 N 4.06 -0.18 0.95 3.99 0.11 -1.87 -0.99 132.00 138.08 3sqc h PRO 553 Ca -0.42 0.01 -0.05 0.00 0.11 0.00 0.00 66.00 65.66 3sqc h PRO 553 Cb 1.19 0.04 0.01 0.00 0.11 0.00 0.00 31.00 32.35 3sqc h PRO 553 CO 0.43 -0.12 -0.48 0.66 -0.21 0.00 0.00 178.00 178.28 3sqc h SER 554 N -0.19 -1.14 -0.34 -2.05 4.64 -1.83 -0.81 113.55 111.84 3sqc h SER 554 Ca 0.08 0.04 0.10 0.00 -0.47 0.00 0.00 61.79 61.54 3sqc h SER 554 Cb 0.30 0.30 -0.01 0.00 -0.31 0.00 0.00 62.40 62.67 3sqc h SER 554 CO -0.20 -0.79 0.25 1.56 -0.87 0.00 0.00 176.83 176.77 3sqc h GLN 555 N -1.30 0.01 -0.03 4.77 4.20 -1.82 0.84 115.11 121.77 3sqc h GLN 555 Ca -0.13 -0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.57 3sqc h GLN 555 Cb 1.00 -0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.78 3sqc h GLN 555 CO 0.20 0.01 -0.03 1.15 -0.67 0.00 0.00 178.83 179.48 3sqc h THR 556 N 0.01 1.40 -0.27 -0.54 2.02 -1.00 -2.65 112.91 111.88 3sqc h THR 556 Ca 0.16 -1.23 0.05 0.00 0.77 0.00 0.00 66.41 66.16 3sqc h THR 556 Cb 0.64 2.16 -0.01 0.00 -1.74 0.00 0.00 68.15 69.20 3sqc h THR 556 CO -0.00 0.33 0.19 0.00 0.37 0.00 0.00 175.52 176.40 3sqc h ALA 557 N 0.51 2.07 0.33 6.16 0.00 0.45 -0.20 119.26 128.59 3sqc h ALA 557 Ca 0.00 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 3sqc h ALA 557 Cb 0.55 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.32 3sqc h ALA 557 CO 0.01 -0.13 -0.16 -1.49 0.00 0.00 0.00 179.25 177.48 3sqc h TRP 558 N 0.15 -0.41 -0.56 0.00 6.55 -0.78 -2.05 115.95 118.84 3sqc h TRP 558 Ca 0.12 -0.01 0.04 0.00 0.95 0.00 0.00 58.89 59.99 3sqc h TRP 558 Cb 0.30 0.14 -0.03 0.00 -0.86 0.00 0.00 29.16 28.70 3sqc h TRP 558 CO -0.00 -0.08 0.37 0.00 -1.05 0.00 0.00 178.44 177.68 3sqc h ALA 559 N -0.35 1.73 -0.03 1.49 0.00 -1.09 -1.72 119.26 119.30 3sqc h ALA 559 Ca -0.05 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.84 3sqc h ALA 559 Cb 0.52 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.13 3sqc h ALA 559 CO 0.08 0.20 0.01 -0.07 0.00 0.00 0.00 179.25 179.47 3sqc h LEU 560 N 0.63 0.01 -1.67 0.00 -0.00 -0.95 -2.03 115.31 111.30 3sqc h LEU 560 Ca 0.23 0.00 -0.01 0.00 -0.00 0.00 0.00 57.88 58.10 3sqc h LEU 560 Cb 0.12 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 40.77 3sqc h LEU 560 CO -0.06 0.01 0.13 0.24 -0.00 0.00 0.00 178.44 178.76 3sqc h MET 561 N 0.02 0.35 -0.06 1.13 2.86 -0.59 0.22 114.93 118.86 3sqc h MET 561 Ca 0.01 -0.03 -0.00 0.00 -2.06 0.00 0.00 59.70 57.62 3sqc h MET 561 Cb 0.01 -0.07 -0.00 0.00 0.06 0.00 0.00 31.60 31.59 3sqc h MET 561 CO -0.02 0.27 0.02 0.00 1.06 0.00 0.00 176.91 178.25 3sqc h ALA 562 N 1.79 0.08 -0.40 6.32 0.00 -0.91 -1.73 119.26 124.41 3sqc h ALA 562 Ca 0.09 -0.11 -0.09 0.00 0.00 0.00 0.00 54.91 54.81 3sqc h ALA 562 Cb 0.03 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 3sqc h ALA 562 CO -0.01 -0.32 -0.11 -0.07 0.00 0.00 0.00 179.25 178.73 3sqc h LEU 563 N -0.09 0.79 -0.55 0.00 3.38 -0.68 -0.62 115.31 117.55 3sqc h LEU 563 Ca 0.02 -0.37 0.00 0.00 0.09 0.00 0.00 57.88 57.62 3sqc h LEU 563 Cb 0.20 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.71 3sqc h LEU 563 CO -0.00 0.98 0.35 0.40 0.09 0.00 0.00 178.44 180.26 3sqc h ILE 564 N 0.59 1.15 -0.38 1.22 2.04 -0.57 -1.11 117.51 120.45 3sqc h ILE 564 Ca 0.10 -0.30 -0.10 0.00 1.00 0.00 0.00 64.86 65.56 3sqc h ILE 564 Cb 0.64 0.36 -0.01 0.00 -0.74 0.00 0.00 36.82 37.07 3sqc h ILE 564 CO 0.04 0.15 -0.14 0.00 0.00 0.00 0.00 178.15 178.20 3sqc h ALA 565 N 1.19 0.53 0.00 1.87 0.00 -1.24 -3.02 119.26 118.59 3sqc h ALA 565 Ca 0.20 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.77 3sqc h ALA 565 Cb -0.06 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.60 3sqc h ALA 565 CO -0.04 0.44 0.00 0.41 0.00 0.00 0.00 179.25 180.06 3sqc n GLY 566 N -0.12 -0.68 1.29 0.00 0.00 -0.25 -4.86 105.19 100.56 3sqc n GLY 566 Ca -0.02 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 45.94 3sqc n GLY 566 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3sqc n GLY 567 N 0.27 3.15 1.14 -0.02 0.00 -1.02 -4.89 105.19 103.82 3sqc n GLY 567 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 3sqc n GLY 567 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3sqc n ARG 568 N -1.24 0.53 0.04 1.61 3.00 -0.45 -4.01 116.66 116.14 3sqc n ARG 568 Ca 0.00 0.00 -0.05 0.00 -0.01 0.00 0.00 57.85 57.79 3sqc n ARG 568 Cb 0.00 -1.23 0.15 0.00 0.00 0.00 0.00 32.46 31.38 3sqc n ARG 568 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3sqc h ALA 569 N 2.08 0.95 0.00 7.54 0.00 -1.79 -2.90 119.26 125.14 3sqc h ALA 569 Ca 0.00 -0.43 -0.09 0.00 0.00 0.00 0.00 54.91 54.39 3sqc h ALA 569 Cb 0.53 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 3sqc h ALA 569 CO 0.00 0.63 -0.41 1.49 0.00 0.00 0.00 179.25 180.95 3sqc h GLU 570 N 0.35 0.00 -6.41 0.00 4.57 -1.93 -3.41 114.58 107.74 3sqc h GLU 570 Ca 0.03 0.00 -0.53 0.00 -1.18 0.00 0.00 59.36 57.68 3sqc h GLU 570 Cb 0.88 0.00 0.23 0.00 -0.16 0.00 0.00 28.75 29.70 3sqc h GLU 570 CO 0.07 0.41 -1.30 0.45 -1.18 0.00 0.00 179.01 177.47 3sqc n SER 571 N -3.47 -3.68 0.01 1.04 2.88 -1.09 -4.83 113.62 104.48 3sqc n SER 571 Ca 0.00 0.20 -0.13 0.00 -1.33 0.00 0.00 58.87 57.61 3sqc n SER 571 Cb 0.56 -0.95 -0.10 0.00 -0.75 0.00 0.00 64.21 62.97 3sqc n SER 571 CO 0.00 0.00 0.00 -0.33 -1.23 0.00 0.00 175.04 173.48 3sqc h GLU 572 N -1.36 -0.07 -1.00 -1.46 4.39 -1.90 -3.00 114.58 110.17 3sqc h GLU 572 Ca -0.44 0.00 0.23 0.00 0.34 0.00 0.00 59.36 59.49 3sqc h GLU 572 Cb 1.31 0.02 -0.10 0.00 -0.10 0.00 0.00 28.75 29.87 3sqc h GLU 572 CO 0.29 0.41 0.62 0.00 -1.16 0.00 0.00 179.01 179.17 3sqc h ALA 573 N 0.31 1.90 0.84 3.43 0.00 -1.92 0.11 119.26 123.94 3sqc h ALA 573 Ca -0.01 0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 3sqc h ALA 573 Cb 0.51 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.28 3sqc h ALA 573 CO 0.01 -0.30 -0.41 0.00 0.00 0.00 0.00 179.25 178.55 3sqc h ALA 574 N 1.66 -1.17 -0.47 0.00 0.00 -1.78 -1.59 119.26 115.91 3sqc h ALA 574 Ca 0.59 -0.25 0.02 0.00 0.00 0.00 0.00 54.91 55.28 3sqc h ALA 574 Cb 1.17 0.44 -0.02 0.00 0.00 0.00 0.00 17.79 19.37 3sqc h ALA 574 CO -0.36 -1.09 0.31 -0.09 0.00 0.00 0.00 179.25 178.02 3sqc h ARG 575 N -1.27 0.53 -0.34 0.00 2.43 -1.24 -1.21 114.38 113.28 3sqc h ARG 575 Ca -0.12 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.01 3sqc h ARG 575 Cb 0.87 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 30.28 3sqc h ARG 575 CO 0.19 0.35 0.16 0.00 -1.51 0.00 0.00 179.97 179.16 3sqc h ARG 576 N 0.55 0.49 -0.42 0.20 2.47 -0.77 -1.88 114.38 115.02 3sqc h ARG 576 Ca 0.18 -0.07 -0.03 0.00 -1.26 0.00 0.00 59.98 58.80 3sqc h ARG 576 Cb 0.06 -0.09 -0.02 0.00 -1.65 0.00 0.00 29.97 28.28 3sqc h ARG 576 CO -0.05 0.45 0.15 0.78 0.56 0.00 0.00 179.97 181.86 3sqc h GLY 577 N 0.41 0.69 0.87 0.04 0.00 -0.46 -2.35 103.07 102.27 3sqc h GLY 577 Ca 0.12 -0.40 0.08 0.00 0.00 0.00 0.00 47.33 47.13 3sqc h GLY 577 CO -0.01 0.37 0.53 -2.08 0.00 0.00 0.00 176.54 175.35 3sqc h VAL 578 N 0.53 0.99 -0.20 4.60 2.07 -1.09 -0.76 116.25 122.40 3sqc h VAL 578 Ca 0.14 -0.28 -0.00 0.00 0.82 0.00 0.00 66.70 67.38 3sqc h VAL 578 Cb 0.23 0.10 -0.01 0.00 -1.52 0.00 0.00 31.29 30.10 3sqc h VAL 578 CO -0.01 0.15 0.12 1.56 0.02 0.00 0.00 177.57 179.41 3sqc h GLN 579 N 0.82 0.27 -0.54 1.57 1.08 -0.95 -0.65 115.11 116.71 3sqc h GLN 579 Ca 0.37 -0.02 0.11 0.00 -1.45 0.00 0.00 58.65 57.65 3sqc h GLN 579 Cb 0.35 -0.06 -0.10 0.00 -0.05 0.00 0.00 27.48 27.62 3sqc h GLN 579 CO -0.14 0.22 -0.11 -0.92 -0.95 0.00 0.00 178.83 176.93 3sqc h TYR 580 N 0.24 -0.23 -0.58 2.96 5.03 -0.64 0.99 116.97 124.73 3sqc h TYR 580 Ca 0.07 0.05 -0.09 0.00 2.58 0.00 0.00 58.73 61.33 3sqc h TYR 580 Cb 0.02 0.19 -0.02 0.00 1.55 0.00 0.00 36.73 38.46 3sqc h TYR 580 CO -0.05 -0.21 -0.01 -0.07 -1.32 0.00 0.00 178.16 176.50 3sqc h LEU 581 N 0.02 0.99 -0.40 2.82 3.38 -1.00 -0.03 115.31 121.10 3sqc h LEU 581 Ca 0.26 -0.28 -0.04 0.00 0.09 0.00 0.00 57.88 57.91 3sqc h LEU 581 Cb 0.40 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.87 3sqc h LEU 581 CO -0.53 1.05 0.08 0.58 0.09 0.00 0.00 178.44 179.71 3sqc h VAL 582 N 0.93 1.23 -0.02 1.22 2.07 -0.22 -2.61 116.25 118.84 3sqc h VAL 582 Ca 0.17 -0.82 -0.01 0.00 0.82 0.00 0.00 66.70 66.86 3sqc h VAL 582 Cb 0.55 1.01 -0.00 0.00 -1.52 0.00 0.00 31.29 31.32 3sqc h VAL 582 CO 0.03 0.28 -0.03 -0.33 0.02 0.00 0.00 177.57 177.54 3sqc h GLU 583 N 0.50 0.06 0.00 1.57 5.08 -0.71 -3.25 114.58 117.83 3sqc h GLU 583 Ca 0.12 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 3sqc h GLU 583 Cb 0.33 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.59 3sqc h GLU 583 CO 0.00 0.57 0.00 0.25 -1.00 0.00 0.00 179.01 178.83 3sqc n THR 584 N -4.79 0.83 -1.84 1.13 -2.24 -0.04 -4.84 114.28 102.49 3sqc n THR 584 Ca -0.08 0.21 -0.38 0.00 -2.27 0.00 0.00 64.05 61.52 3sqc n THR 584 Cb 0.29 -0.93 0.04 0.00 -2.10 0.00 0.00 70.33 67.62 3sqc n THR 584 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 3sqc s GLN 585 N -2.92 3.19 0.62 -0.78 0.74 -0.99 -4.71 119.66 114.82 3sqc s GLN 585 Ca 0.09 2.18 -0.07 0.00 0.05 0.00 0.00 55.36 57.61 3sqc s GLN 585 Cb 0.11 -2.26 0.02 0.00 1.10 0.00 0.00 33.01 31.97 3sqc s GLN 585 CO 0.29 -1.13 0.95 1.03 -0.55 0.00 0.00 175.29 175.87 3sqc s ARG 586 N -2.90 2.83 0.54 1.67 0.52 0.86 -4.98 118.95 117.49 3sqc s ARG 586 Ca 0.71 0.05 0.32 0.00 -0.52 0.00 0.00 55.73 56.29 3sqc s ARG 586 Cb -0.39 -2.22 1.47 0.00 0.52 0.00 0.00 34.95 34.33 3sqc s ARG 586 CO 0.46 -0.82 2.03 -1.35 0.02 0.00 0.00 175.30 175.65 3sqc h PRO 587 N -0.31 0.00 0.00 3.54 0.11 -1.95 -2.59 132.00 130.79 3sqc h PRO 587 Ca -0.45 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.62 3sqc h PRO 587 Cb 1.26 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.37 3sqc h PRO 587 CO 0.61 0.07 -0.63 0.38 -0.21 0.00 0.00 178.00 178.22 3sqc h ASP 588 N 0.00 0.00 0.00 -2.05 3.04 -1.94 -3.48 116.42 111.99 3sqc h ASP 588 Ca -0.00 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.79 3sqc h ASP 588 Cb 0.44 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.73 3sqc h ASP 588 CO 0.01 0.16 0.00 0.61 -2.04 0.00 0.00 179.24 177.98 3sqc n GLY 589 N 1.19 1.93 1.60 7.15 0.00 -0.98 -4.51 105.19 111.58 3sqc n GLY 589 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 3sqc n GLY 589 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3sqc n GLY 590 N 0.00 -0.42 3.17 -0.02 0.00 -1.26 -4.10 105.19 102.55 3sqc n GLY 590 Ca 0.00 -1.82 -0.11 0.00 0.00 0.00 0.00 46.02 44.10 3sqc n GLY 590 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3sqc s TRP 591 N -1.75 0.89 0.23 1.61 0.51 -1.26 -0.10 118.94 119.07 3sqc s TRP 591 Ca 0.30 -0.93 0.06 0.00 -2.12 0.00 0.00 56.10 53.41 3sqc s TRP 591 Cb -0.01 -0.52 -0.04 0.00 -0.81 0.00 0.00 33.47 32.09 3sqc s TRP 591 CO 0.20 -0.16 0.19 -0.51 -0.51 0.00 0.00 176.95 176.16 3sqc s ASP 592 N -3.04 5.55 -0.44 2.95 1.01 -1.26 -4.77 116.67 116.66 3sqc s ASP 592 Ca 0.12 -0.21 0.08 0.00 0.71 0.00 0.00 52.55 53.25 3sqc s ASP 592 Cb 0.05 -1.43 0.18 0.00 1.01 0.00 0.00 42.92 42.74 3sqc s ASP 592 CO -0.05 -0.01 0.65 -0.70 0.21 0.00 0.00 175.17 175.28 3sqc s GLU 593 N -3.67 0.90 0.00 8.23 2.12 -1.26 -4.52 118.70 120.50 3sqc s GLU 593 Ca 0.32 -0.53 0.07 0.00 0.36 0.00 0.00 54.97 55.19 3sqc s GLU 593 Cb -0.08 0.03 0.40 0.00 0.26 0.00 0.00 34.13 34.73 3sqc s GLU 593 CO 0.25 -1.23 0.92 -0.35 -0.54 0.00 0.00 175.26 174.30 3sqc n PRO 594 N 3.96 0.60 -4.49 4.30 -0.04 -1.26 -4.75 135.00 133.31 3sqc n PRO 594 Ca 0.13 0.00 -0.29 0.00 -0.04 0.00 0.00 63.50 63.31 3sqc n PRO 594 Cb 0.56 -1.17 -0.13 0.00 -0.04 0.00 0.00 33.50 32.72 3sqc n PRO 594 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 3sqc s TYR 595 N -2.00 2.26 0.16 0.54 2.02 -1.26 -4.75 117.35 114.32 3sqc s TYR 595 Ca 0.10 -0.39 -0.29 0.00 -0.37 0.00 0.00 57.07 56.12 3sqc s TYR 595 Cb 0.05 -1.25 -0.07 0.00 -0.40 0.00 0.00 41.96 40.28 3sqc s TYR 595 CO 0.08 0.28 0.92 0.71 -1.57 0.00 0.00 175.55 175.97 3sqc s TYR 596 N -1.01 3.88 -0.10 2.71 1.51 -1.26 -4.93 117.35 118.15 3sqc s TYR 596 Ca 0.13 1.81 0.16 0.00 -1.01 0.00 0.00 57.07 58.16 3sqc s TYR 596 Cb -0.10 -2.98 0.35 0.00 -0.11 0.00 0.00 41.96 39.12 3sqc s TYR 596 CO 0.05 0.34 1.16 0.25 -1.11 0.00 0.00 175.55 176.24 3sqc n THR 597 N 2.18 1.09 -4.56 -0.71 -2.24 -1.22 -4.80 114.28 104.02 3sqc n THR 597 Ca -0.00 -1.90 -0.25 0.00 -2.27 0.00 0.00 64.05 59.63 3sqc n THR 597 Cb 0.48 0.30 -0.14 0.00 -2.10 0.00 0.00 70.33 68.88 3sqc n THR 597 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 3sqc s GLY 598 N -2.46 1.18 -0.12 3.38 0.00 -0.03 -2.10 107.32 107.16 3sqc s GLY 598 Ca 0.31 -1.13 0.03 0.00 0.00 0.00 0.00 44.72 43.93 3sqc s GLY 598 CO -0.08 -1.07 -0.22 -1.59 0.00 0.00 0.00 173.10 170.13 3sqc s THR 599 N -0.90 2.03 -0.03 0.90 2.01 -0.76 -0.91 115.64 117.98 3sqc s THR 599 Ca 0.08 -0.97 -0.02 0.00 0.31 0.00 0.00 61.69 61.08 3sqc s THR 599 Cb -0.09 -1.78 -0.01 0.00 0.01 0.00 0.00 72.50 70.63 3sqc s THR 599 CO 0.03 0.55 -0.03 1.23 -0.69 0.00 0.00 174.62 175.70 3sqc h GLY 600 N 7.11 0.00 -6.80 4.40 0.00 -1.00 -3.42 103.07 103.37 3sqc h GLY 600 Ca -0.28 0.00 -0.52 0.00 0.00 0.00 0.00 47.33 46.53 3sqc h GLY 600 CO 0.52 0.00 -0.80 -1.36 0.00 0.00 0.00 176.54 174.91 3sqc s PHE 601 N -1.26 1.44 -0.40 5.60 0.08 -0.71 -4.96 117.98 117.77 3sqc s PHE 601 Ca -0.03 -0.76 -0.41 0.00 0.12 0.00 0.00 56.93 55.85 3sqc s PHE 601 Cb 0.00 -1.20 -0.16 0.00 -0.57 0.00 0.00 43.02 41.09 3sqc s PHE 601 CO 0.04 -0.52 1.97 -2.30 -0.10 0.00 0.00 175.22 174.31 3sqc n PRO 602 N 4.95 0.58 -0.16 0.24 -0.02 -1.26 -0.42 135.00 138.91 3sqc n PRO 602 Ca -0.12 0.18 0.00 0.00 -2.02 0.00 0.00 63.50 61.55 3sqc n PRO 602 Cb 0.49 -1.91 0.00 0.00 -0.02 0.00 0.00 33.50 32.07 3sqc n PRO 602 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3sqc n GLY 603 N 5.88 2.24 0.00 -1.23 0.00 -1.26 -4.82 105.19 106.00 3sqc n GLY 603 Ca 0.40 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.42 3sqc n GLY 603 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3sqc n ASP 604 N 0.00 4.12 -3.71 1.61 8.00 0.44 -5.04 116.55 121.98 3sqc n ASP 604 Ca 0.00 0.00 -0.13 0.00 0.71 0.00 0.00 54.79 55.37 3sqc n ASP 604 Cb 0.00 0.44 -0.14 0.00 -0.02 0.00 0.00 41.12 41.40 3sqc n ASP 604 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 3sqc s PHE 605 N -1.81 -0.29 0.14 1.24 5.36 -0.36 -4.92 117.98 117.34 3sqc s PHE 605 Ca 0.00 0.73 0.10 0.00 -0.96 0.00 0.00 56.93 56.80 3sqc s PHE 605 Cb 0.00 -0.04 -0.04 0.00 -0.34 0.00 0.00 43.02 42.60 3sqc s PHE 605 CO 0.00 -0.25 -0.24 0.71 -1.46 0.00 0.00 175.22 173.99 3sqc s TYR 606 N 1.60 2.11 0.01 10.12 2.02 -1.26 -0.37 117.35 131.58 3sqc s TYR 606 Ca -0.06 -0.40 0.06 0.00 -0.37 0.00 0.00 57.07 56.31 3sqc s TYR 606 Cb -0.11 -1.11 -0.02 0.00 -0.40 0.00 0.00 41.96 40.32 3sqc s TYR 606 CO -0.08 0.34 -0.18 -0.51 -1.57 0.00 0.00 175.55 173.56 3sqc s LEU 607 N -2.23 2.10 -0.43 -1.29 1.43 -0.09 -4.40 118.68 113.77 3sqc s LEU 607 Ca 0.14 -0.40 -0.09 0.00 -1.03 0.00 0.00 54.13 52.74 3sqc s LEU 607 Cb -0.09 -0.86 0.09 0.00 0.03 0.00 0.00 46.19 45.36 3sqc s LEU 607 CO 0.06 0.16 0.28 -0.83 0.23 0.00 0.00 176.35 176.26 3sqc s GLY 608 N -0.77 1.99 -0.93 -3.19 0.00 0.18 -0.85 107.32 103.74 3sqc s GLY 608 Ca 0.06 -2.24 -0.20 0.00 0.00 0.00 0.00 44.72 42.33 3sqc s GLY 608 CO 0.00 1.00 1.19 -0.19 0.00 0.00 0.00 173.10 175.10 3sqc s TYR 609 N 1.41 2.94 0.21 1.90 1.51 -1.26 -0.91 117.35 123.15 3sqc s TYR 609 Ca 0.04 -1.19 0.01 0.00 -1.01 0.00 0.00 57.07 54.92 3sqc s TYR 609 Cb -0.24 -4.38 0.50 0.00 -0.11 0.00 0.00 41.96 37.74 3sqc s TYR 609 CO 0.01 -1.61 1.07 2.41 -1.11 0.00 0.00 175.55 176.33 3sqc n THR 610 N 5.85 -0.29 0.19 -0.71 -1.04 -1.19 -0.76 114.28 116.34 3sqc n THR 610 Ca 0.24 1.51 0.07 0.00 -2.04 0.00 0.00 64.05 63.82 3sqc n THR 610 Cb 0.49 -2.19 0.28 0.00 -1.82 0.00 0.00 70.33 67.09 3sqc n THR 610 CO 0.00 0.00 0.00 0.24 -0.64 0.00 0.00 175.07 174.67 3sqc h MET 611 N 0.00 0.00 -0.72 -2.82 2.86 -1.90 -3.34 114.93 109.02 3sqc h MET 611 Ca 0.41 0.00 0.16 0.00 -2.06 0.00 0.00 59.70 58.21 3sqc h MET 611 Cb 0.82 0.00 -0.12 0.00 0.06 0.00 0.00 31.60 32.37 3sqc h MET 611 CO -0.65 0.32 0.09 1.88 1.06 0.00 0.00 176.91 179.62 3sqc h TYR 612 N 0.00 0.12 -0.40 -0.22 -1.99 -1.37 0.49 116.97 113.61 3sqc h TYR 612 Ca -0.00 0.05 0.12 0.00 2.00 0.00 0.00 58.73 60.89 3sqc h TYR 612 Cb 0.99 0.06 -0.02 0.00 2.00 0.00 0.00 36.73 39.77 3sqc h TYR 612 CO 0.00 -0.15 0.29 0.07 -0.00 0.00 0.00 178.16 178.37 3sqc h ARG 613 N 0.19 0.00 0.00 4.88 0.11 -1.74 -1.75 114.38 116.07 3sqc h ARG 613 Ca 0.40 0.00 -0.42 0.00 0.10 0.00 0.00 59.98 60.06 3sqc h ARG 613 Cb 0.69 0.00 -0.06 0.00 1.11 0.00 0.00 29.97 31.70 3sqc h ARG 613 CO -0.56 0.00 -2.32 0.72 0.10 0.00 0.00 179.97 177.91 3sqc n HIS 614 N -4.41 0.20 0.26 4.08 8.25 -0.39 -4.40 115.22 118.81 3sqc n HIS 614 Ca 0.07 0.08 -0.16 0.00 -0.26 0.00 0.00 57.72 57.45 3sqc n HIS 614 Cb 0.48 -1.02 -0.08 0.00 1.12 0.00 0.00 29.99 30.49 3sqc n HIS 614 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 3sqc h VAL 615 N -0.83 0.56 -0.56 1.59 2.07 -0.89 -2.75 116.25 115.44 3sqc h VAL 615 Ca -0.63 -0.02 -0.01 0.00 0.82 0.00 0.00 66.70 66.87 3sqc h VAL 615 Cb 1.62 0.57 -0.03 0.00 -1.52 0.00 0.00 31.29 31.93 3sqc h VAL 615 CO -0.33 0.00 0.32 -0.26 0.02 0.00 0.00 177.57 177.32 3sqc h PHE 616 N -0.62 0.74 -0.59 1.57 0.04 -1.53 -0.46 116.94 116.10 3sqc h PHE 616 Ca -0.06 -0.01 -0.04 0.00 2.80 0.00 0.00 57.97 60.66 3sqc h PHE 616 Cb 0.47 -0.24 -0.03 0.00 2.20 0.00 0.00 35.95 38.35 3sqc h PHE 616 CO -0.04 0.53 0.22 -1.35 -0.60 0.00 0.00 178.31 177.06 3sqc h PRO 617 N 0.75 0.89 -0.74 1.51 0.11 -1.74 0.13 132.00 132.91 3sqc h PRO 617 Ca 0.20 -0.17 0.06 0.00 0.11 0.00 0.00 66.00 66.20 3sqc h PRO 617 Cb 0.01 -0.14 -0.06 0.00 0.11 0.00 0.00 31.00 30.92 3sqc h PRO 617 CO -0.03 0.78 0.43 1.15 -0.21 0.00 0.00 178.00 180.11 3sqc h THR 618 N 0.82 0.99 -0.32 -1.15 2.02 -1.17 0.44 112.91 114.54 3sqc h THR 618 Ca 0.19 -0.27 -0.07 0.00 0.77 0.00 0.00 66.41 67.04 3sqc h THR 618 Cb 0.23 0.14 -0.01 0.00 -1.74 0.00 0.00 68.15 66.77 3sqc h THR 618 CO -0.01 0.14 -0.06 0.25 0.37 0.00 0.00 175.52 176.21 3sqc h LEU 619 N 0.78 0.61 -0.40 2.58 5.85 -0.63 -2.29 115.31 121.81 3sqc h LEU 619 Ca 0.33 -0.36 -0.01 0.00 0.84 0.00 0.00 57.88 58.68 3sqc h LEU 619 Cb 0.19 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.04 3sqc h LEU 619 CO -0.18 0.82 0.21 0.00 -0.34 0.00 0.00 178.44 178.95 3sqc h ALA 620 N 0.81 0.52 -0.67 1.25 0.00 -0.11 -2.05 119.26 119.00 3sqc h ALA 620 Ca 0.08 -0.09 -0.07 0.00 0.00 0.00 0.00 54.91 54.83 3sqc h ALA 620 Cb 0.55 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.15 3sqc h ALA 620 CO 0.03 0.05 0.15 -0.07 0.00 0.00 0.00 179.25 179.41 3sqc h LEU 621 N 0.52 1.03 -1.26 0.00 3.38 -0.95 -0.83 115.31 117.21 3sqc h LEU 621 Ca 0.14 -0.24 0.02 0.00 0.09 0.00 0.00 57.88 57.89 3sqc h LEU 621 Cb 0.07 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.51 3sqc h LEU 621 CO -0.02 1.01 0.51 1.23 0.09 0.00 0.00 178.44 181.25 3sqc h GLY 622 N 1.01 1.08 1.54 0.83 0.00 -1.22 -0.48 103.07 105.83 3sqc h GLY 622 Ca 0.21 -0.39 -0.17 0.00 0.00 0.00 0.00 47.33 46.97 3sqc h GLY 622 CO 0.01 0.37 -0.66 3.21 0.00 0.00 0.00 176.54 179.46 3sqc h ARG 623 N 1.00 0.47 -0.01 4.80 3.08 -0.96 -2.90 114.38 119.86 3sqc h ARG 623 Ca 0.29 -0.34 -0.00 0.00 0.07 0.00 0.00 59.98 60.00 3sqc h ARG 623 Cb -0.06 0.06 -0.00 0.00 0.08 0.00 0.00 29.97 30.05 3sqc h ARG 623 CO -0.07 0.96 0.00 -0.92 -1.07 0.00 0.00 179.97 178.88 3sqc h TYR 624 N 0.33 0.01 -0.85 3.04 3.20 -0.49 -2.80 116.97 119.41 3sqc h TYR 624 Ca -0.02 -0.00 0.14 0.00 3.14 0.00 0.00 58.73 61.99 3sqc h TYR 624 Cb 1.22 -0.00 -0.06 0.00 1.54 0.00 0.00 36.73 39.42 3sqc h TYR 624 CO 0.05 0.14 0.56 -0.22 -1.64 0.00 0.00 178.16 177.04 3sqc h LYS 625 N -0.12 0.61 0.00 1.82 3.64 -1.10 -1.29 116.57 120.12 3sqc h LYS 625 Ca 0.00 -0.04 -0.07 0.00 -1.27 0.00 0.00 60.65 59.28 3sqc h LYS 625 Cb 0.14 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 31.81 3sqc h LYS 625 CO -0.00 0.40 -0.33 1.96 -2.27 0.00 0.00 179.45 179.21 3sqc h GLN 626 N 0.63 0.00 -2.38 1.90 7.50 -1.29 -3.21 115.11 118.26 3sqc h GLN 626 Ca 0.43 0.00 -0.29 0.00 0.50 0.00 0.00 58.65 59.29 3sqc h GLN 626 Cb 0.74 0.00 -0.04 0.00 0.05 0.00 0.00 27.48 28.23 3sqc h GLN 626 CO -0.18 0.33 0.75 0.00 -1.50 0.00 0.00 178.83 178.23 3sqc n ALA 627 N -2.47 6.11 -1.99 3.87 0.00 -0.49 -5.13 120.51 120.42 3sqc n ALA 627 Ca -0.02 -2.05 0.00 0.00 0.00 0.00 0.00 53.44 51.37 3sqc n ALA 627 Cb 0.37 -2.58 0.00 0.00 0.00 0.00 0.00 19.45 17.25 3sqc n ALA 627 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61