#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u2y s SER 3 N 0.00 6.96 0.56 7.72 0.01 -1.26 -4.92 113.70 122.77 1u2y s SER 3 Ca 0.00 1.15 0.32 0.00 1.31 0.00 0.00 55.95 58.73 1u2y s SER 3 Cb 0.00 -2.37 1.63 0.00 0.21 0.00 0.00 66.02 65.49 1u2y s SER 3 CO 0.00 0.03 2.11 -0.65 0.41 0.00 0.00 173.24 175.14 1u2y h PRO 4 N 6.05 0.00 -0.56 12.44 0.11 -1.96 -3.37 132.00 144.70 1u2y h PRO 4 Ca -0.44 0.00 -0.20 0.00 0.11 0.00 0.00 66.00 65.47 1u2y h PRO 4 Cb 1.20 0.00 -0.07 0.00 0.11 0.00 0.00 31.00 32.23 1u2y h PRO 4 CO 0.72 0.07 -0.19 0.09 -0.21 0.00 0.00 178.00 178.48 1u2y n ASN 5 N -3.40 -4.11 -4.84 -2.05 3.02 -1.26 -4.73 115.26 97.88 1u2y n ASN 5 Ca -0.02 0.22 -0.29 0.00 -0.03 0.00 0.00 54.58 54.46 1u2y n ASN 5 Cb 0.22 -2.57 0.10 0.00 -0.61 0.00 0.00 39.78 36.91 1u2y n ASN 5 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1u2y s THR 6 N -2.38 2.53 0.24 3.41 -4.23 -1.26 -4.96 115.64 108.99 1u2y s THR 6 Ca 0.00 0.17 -0.30 0.00 -1.18 0.00 0.00 61.69 60.39 1u2y s THR 6 Cb 0.00 -3.02 -0.09 0.00 1.34 0.00 0.00 72.50 70.73 1u2y s THR 6 CO 0.00 -0.22 1.16 -1.58 -0.54 0.00 0.00 174.62 173.43 1u2y s GLN 7 N -5.34 4.55 0.06 3.99 0.74 -1.26 -4.91 119.66 117.50 1u2y s GLN 7 Ca 0.62 1.86 -0.37 0.00 0.05 0.00 0.00 55.36 57.52 1u2y s GLN 7 Cb -0.13 -3.21 -0.16 0.00 1.10 0.00 0.00 33.01 30.61 1u2y s GLN 7 CO 0.52 0.05 1.40 0.94 -0.55 0.00 0.00 175.29 177.65 1u2y n GLN 8 N 1.78 1.26 -0.05 1.67 7.27 -1.26 -1.26 117.38 126.79 1u2y n GLN 8 Ca 0.01 0.45 0.00 0.00 0.07 0.00 0.00 57.00 57.54 1u2y n GLN 8 Cb 0.45 -2.12 0.00 0.00 2.41 0.00 0.00 30.24 30.98 1u2y n GLN 8 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1u2y n GLY 9 N 2.76 0.43 3.24 1.69 0.00 -1.26 -5.04 105.19 107.01 1u2y n GLY 9 Ca 0.19 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.86 1u2y n GLY 9 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1u2y s ARG 10 N -0.89 3.06 0.00 1.61 0.52 -0.39 -4.67 118.95 118.19 1u2y s ARG 10 Ca 0.00 -0.83 0.10 0.00 -0.52 0.00 0.00 55.73 54.48 1u2y s ARG 10 Cb 0.00 -2.98 0.23 0.00 0.52 0.00 0.00 34.95 32.72 1u2y s ARG 10 CO 0.00 -0.31 1.14 0.25 0.02 0.00 0.00 175.30 176.40 1u2y n THR 11 N 4.73 0.80 -4.03 0.02 -2.24 -1.26 -4.63 114.28 107.66 1u2y n THR 11 Ca -0.17 -0.90 -0.08 0.00 -2.27 0.00 0.00 64.05 60.63 1u2y n THR 11 Cb 0.49 0.64 -0.09 0.00 -2.10 0.00 0.00 70.33 69.26 1u2y n THR 11 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1u2y s SER 12 N -0.96 0.39 0.22 3.42 0.01 -1.26 -4.20 113.70 111.31 1u2y s SER 12 Ca 0.19 -0.88 0.10 0.00 1.31 0.00 0.00 55.95 56.67 1u2y s SER 12 Cb 0.10 0.23 -0.05 0.00 0.21 0.00 0.00 66.02 66.51 1u2y s SER 12 CO 0.14 -0.61 -0.20 0.27 0.41 0.00 0.00 173.24 173.25 1u2y s ILE 13 N -3.75 2.15 -0.02 1.44 -4.36 -0.90 -0.46 121.20 115.30 1u2y s ILE 13 Ca 0.05 -2.15 0.06 0.00 -0.26 0.00 0.00 60.65 58.35 1u2y s ILE 13 Cb 0.06 -2.09 -0.01 0.00 1.25 0.00 0.00 42.46 41.67 1u2y s ILE 13 CO -0.10 -0.34 -0.20 0.54 0.24 0.00 0.00 174.94 175.09 1u2y s VAL 14 N -2.26 1.57 -0.56 8.37 0.11 -0.18 -0.49 120.40 126.96 1u2y s VAL 14 Ca 0.23 -0.85 -0.20 0.00 -2.93 0.00 0.00 61.98 58.23 1u2y s VAL 14 Cb -0.05 -1.31 0.07 0.00 -1.53 0.00 0.00 36.38 33.56 1u2y s VAL 14 CO 0.10 0.45 0.74 -2.28 -3.33 0.00 0.00 175.10 170.78 1u2y s HIS 15 N -0.43 2.94 -1.25 1.54 2.46 0.40 -0.86 115.29 120.09 1u2y s HIS 15 Ca 0.07 -0.62 -0.12 0.00 0.47 0.00 0.00 55.06 54.87 1u2y s HIS 15 Cb -0.08 -3.87 0.17 0.00 -0.13 0.00 0.00 32.58 28.66 1u2y s HIS 15 CO -0.01 -1.25 1.68 1.28 -2.47 0.00 0.00 174.74 173.97 1u2y n LEU 16 N 6.62 5.96 -4.63 8.88 4.77 -1.09 -1.98 117.00 135.53 1u2y n LEU 16 Ca -0.06 -4.54 -0.48 0.00 -0.03 0.00 0.00 56.01 50.90 1u2y n LEU 16 Cb 0.45 -1.55 -0.05 0.00 -2.33 0.00 0.00 43.42 39.94 1u2y n LEU 16 CO 0.58 1.05 1.61 0.33 -1.33 0.00 0.00 177.39 179.63 1u2y n PHE 17 N 4.78 2.14 -1.08 -1.77 7.35 -1.19 -2.32 117.46 125.38 1u2y n PHE 17 Ca 0.39 0.03 -0.03 0.00 -0.76 0.00 0.00 57.45 57.08 1u2y n PHE 17 Cb 0.39 -2.65 -0.01 0.00 0.35 0.00 0.00 39.48 37.56 1u2y n PHE 17 CO 0.00 0.00 0.00 0.39 -0.76 0.00 0.00 176.76 176.39 1u2y n GLU 18 N 7.27 -1.16 -2.05 -4.13 -0.58 -1.26 -4.84 120.64 113.89 1u2y n GLU 18 Ca 0.27 0.44 -0.34 0.00 -0.42 0.00 0.00 57.16 57.12 1u2y n GLU 18 Cb 0.30 -4.40 0.02 0.00 -0.57 0.00 0.00 31.44 26.80 1u2y n GLU 18 CO 0.00 0.00 0.00 -1.58 -0.48 0.00 0.00 177.13 175.07 1u2y s TRP 19 N -1.61 2.67 0.40 -0.32 0.52 -0.98 -4.92 118.94 114.70 1u2y s TRP 19 Ca 0.00 1.55 -0.19 0.00 0.02 0.00 0.00 56.10 57.48 1u2y s TRP 19 Cb 0.00 -3.22 -0.10 0.00 -1.15 0.00 0.00 33.47 28.99 1u2y s TRP 19 CO 0.00 -1.59 0.89 1.03 0.02 0.00 0.00 176.95 177.29 1u2y s ARG 20 N -3.65 4.15 0.22 4.98 0.52 -1.26 -4.77 118.95 119.13 1u2y s ARG 20 Ca 0.70 0.98 -0.08 0.00 -0.52 0.00 0.00 55.73 56.80 1u2y s ARG 20 Cb -0.22 -2.25 0.27 0.00 0.52 0.00 0.00 34.95 33.26 1u2y s ARG 20 CO 0.33 0.02 1.81 -1.49 0.02 0.00 0.00 175.30 175.99 1u2y h TRP 21 N 1.99 0.70 -0.70 -0.53 -0.00 -1.50 -1.51 115.95 114.40 1u2y h TRP 21 Ca -0.49 0.03 -0.00 0.00 -0.00 0.00 0.00 58.89 58.43 1u2y h TRP 21 Cb 1.18 -0.21 -0.03 0.00 -0.00 0.00 0.00 29.16 30.09 1u2y h TRP 21 CO 0.62 0.32 0.42 -0.24 -0.00 0.00 0.00 178.44 179.56 1u2y h VAL 22 N 0.70 1.20 -0.22 1.49 3.04 -1.84 -0.71 116.25 119.91 1u2y h VAL 22 Ca 0.31 -0.43 -0.16 0.00 -1.01 0.00 0.00 66.70 65.41 1u2y h VAL 22 Cb 0.22 0.21 -0.01 0.00 -2.01 0.00 0.00 31.29 29.71 1u2y h VAL 22 CO -0.20 0.20 -0.53 0.44 -1.01 0.00 0.00 177.57 176.48 1u2y h ASP 23 N 0.96 0.69 -0.33 3.17 3.32 -1.75 -2.75 116.42 119.73 1u2y h ASP 23 Ca 0.25 -0.36 -0.13 0.00 0.02 0.00 0.00 57.03 56.82 1u2y h ASP 23 Cb -0.04 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.30 1u2y h ASP 23 CO -0.05 1.08 -0.26 0.40 -1.72 0.00 0.00 179.24 178.70 1u2y h ILE 24 N 0.48 1.27 -0.38 0.35 2.04 -0.78 -1.19 117.51 119.31 1u2y h ILE 24 Ca 0.02 -1.40 0.00 0.00 1.00 0.00 0.00 64.86 64.48 1u2y h ILE 24 Cb 1.08 1.23 -0.02 0.00 -0.74 0.00 0.00 36.82 38.37 1u2y h ILE 24 CO 0.10 0.47 0.24 0.00 0.00 0.00 0.00 178.15 178.97 1u2y h ALA 25 N 0.99 0.48 -0.46 1.87 0.00 -1.07 -0.12 119.26 120.96 1u2y h ALA 25 Ca 0.09 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 1u2y h ALA 25 Cb 0.80 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.41 1u2y h ALA 25 CO 0.07 -0.05 0.17 -0.07 0.00 0.00 0.00 179.25 179.36 1u2y h LEU 26 N 0.51 0.64 -1.05 0.00 3.38 -1.40 -2.91 115.31 114.47 1u2y h LEU 26 Ca 0.14 -0.18 0.00 0.00 0.09 0.00 0.00 57.88 57.93 1u2y h LEU 26 Cb -0.04 -0.17 -0.05 0.00 0.09 0.00 0.00 40.66 40.49 1u2y h LEU 26 CO -0.03 0.65 0.60 -0.08 0.09 0.00 0.00 178.44 179.67 1u2y h GLU 27 N 0.60 1.23 -0.46 1.13 4.57 -0.81 0.14 114.58 120.98 1u2y h GLU 27 Ca 0.15 -0.09 0.03 0.00 -1.18 0.00 0.00 59.36 58.28 1u2y h GLU 27 Cb 0.22 -0.27 -0.04 0.00 -0.16 0.00 0.00 28.75 28.50 1u2y h GLU 27 CO -0.01 0.83 0.24 0.00 -1.18 0.00 0.00 179.01 178.89 1u2y h GLU 29 N 0.47 0.37 0.00 0.00 5.08 -1.25 -0.45 114.58 118.80 1u2y h GLU 29 Ca 0.19 -0.34 0.00 0.00 -1.00 0.00 0.00 59.36 58.21 1u2y h GLU 29 Cb 0.09 0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.42 1u2y h GLU 29 CO -0.13 1.00 -0.57 0.07 -1.00 0.00 0.00 179.01 178.38 1u2y h ARG 30 N -0.14 0.00 0.00 2.33 0.11 -0.75 -3.42 114.38 112.51 1u2y h ARG 30 Ca -0.04 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.04 1u2y h ARG 30 Cb 1.12 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.20 1u2y h ARG 30 CO 0.09 0.00 -0.03 0.98 0.10 0.00 0.00 179.97 181.11 1u2y n TYR 31 N -2.71 -1.85 -0.12 4.08 9.36 -0.28 -4.82 117.16 120.81 1u2y n TYR 31 Ca 0.02 0.33 -0.04 0.00 3.32 0.00 0.00 57.90 61.52 1u2y n TYR 31 Cb 0.52 0.48 0.03 0.00 -0.63 0.00 0.00 39.34 39.74 1u2y n TYR 31 CO 0.00 0.00 0.00 -0.07 0.22 0.00 0.00 176.86 177.01 1u2y h LEU 32 N 0.00 -0.15 0.16 2.98 3.38 -1.14 -0.68 115.31 119.85 1u2y h LEU 32 Ca 0.00 0.09 -0.01 0.00 0.09 0.00 0.00 57.88 58.05 1u2y h LEU 32 Cb 0.03 0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.94 1u2y h LEU 32 CO 0.00 -0.04 -0.07 0.00 0.09 0.00 0.00 178.44 178.41 1u2y h ALA 33 N 1.35 -0.21 -0.80 1.53 0.00 -1.29 -0.82 119.26 119.02 1u2y h ALA 33 Ca 0.20 -0.13 0.05 0.00 0.00 0.00 0.00 54.91 55.03 1u2y h ALA 33 Cb 0.28 0.08 -0.05 0.00 0.00 0.00 0.00 17.79 18.10 1u2y h ALA 33 CO -0.33 -0.51 0.52 -1.35 0.00 0.00 0.00 179.25 177.59 1u2y h PRO 34 N -0.43 0.88 -0.02 0.00 0.11 -1.75 -2.44 132.00 128.36 1u2y h PRO 34 Ca -0.02 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.04 1u2y h PRO 34 Cb 0.34 -0.20 0.00 0.00 0.11 0.00 0.00 31.00 31.25 1u2y h PRO 34 CO 0.04 0.58 0.00 1.63 -0.21 0.00 0.00 178.00 180.04 1u2y n LYS 35 N -4.47 1.37 -1.42 1.05 4.01 -0.28 -4.95 118.16 113.48 1u2y n LYS 35 Ca 0.11 -0.54 0.00 0.00 -0.51 0.00 0.00 58.31 57.37 1u2y n LYS 35 Cb 0.18 -1.47 0.00 0.00 -0.51 0.00 0.00 35.03 33.23 1u2y n LYS 35 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1u2y n GLY 36 N 1.08 0.43 3.75 0.72 0.00 -0.92 -4.64 105.19 105.62 1u2y n GLY 36 Ca 0.20 -0.95 -0.40 0.00 0.00 0.00 0.00 46.02 44.88 1u2y n GLY 36 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1u2y s PHE 37 N -2.00 3.83 0.13 1.61 0.40 -0.35 -4.48 117.98 117.12 1u2y s PHE 37 Ca 0.00 1.82 -0.05 0.00 -0.60 0.00 0.00 56.93 58.10 1u2y s PHE 37 Cb 0.00 -3.09 -0.10 0.00 0.51 0.00 0.00 43.02 40.34 1u2y s PHE 37 CO 0.00 0.08 1.31 0.78 0.70 0.00 0.00 175.22 178.08 1u2y h GLY 38 N 4.25 0.51 -1.45 4.36 0.00 -1.03 -3.44 103.07 106.26 1u2y h GLY 38 Ca -0.45 -0.86 0.25 0.00 0.00 0.00 0.00 47.33 46.26 1u2y h GLY 38 CO 0.68 0.76 0.69 0.61 0.00 0.00 0.00 176.54 179.29 1u2y n GLY 39 N 0.91 0.41 3.01 4.60 0.00 -1.10 -1.85 105.19 111.17 1u2y n GLY 39 Ca -0.07 -1.05 -0.22 0.00 0.00 0.00 0.00 46.02 44.68 1u2y n GLY 39 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1u2y s VAL 40 N -2.07 0.93 -0.22 1.61 1.01 0.10 -1.02 120.40 120.75 1u2y s VAL 40 Ca 0.24 -0.41 -0.15 0.00 0.00 0.00 0.00 61.98 61.66 1u2y s VAL 40 Cb -0.01 -0.84 -0.04 0.00 0.00 0.00 0.00 36.38 35.49 1u2y s VAL 40 CO 0.01 0.29 0.36 -1.58 0.00 0.00 0.00 175.10 174.19 1u2y s GLN 41 N 0.37 4.12 0.25 2.72 0.74 -0.04 -0.48 119.66 127.34 1u2y s GLN 41 Ca -0.07 0.10 0.06 0.00 0.05 0.00 0.00 55.36 55.50 1u2y s GLN 41 Cb -0.11 -3.56 -0.03 0.00 1.10 0.00 0.00 33.01 30.40 1u2y s GLN 41 CO 0.01 -0.08 0.32 0.14 -0.55 0.00 0.00 175.29 175.13 1u2y s VAL 42 N 1.45 5.00 0.75 1.34 -7.23 -0.66 -2.67 120.40 118.39 1u2y s VAL 42 Ca 0.17 -1.11 -0.11 0.00 -1.81 0.00 0.00 61.98 59.12 1u2y s VAL 42 Cb -0.15 -3.72 0.04 0.00 0.56 0.00 0.00 36.38 33.12 1u2y s VAL 42 CO 0.08 -0.33 1.08 -0.44 -0.31 0.00 0.00 175.10 175.18 1u2y s SER 43 N -3.95 4.80 -0.21 4.85 0.01 -1.26 -3.29 113.70 114.65 1u2y s SER 43 Ca 0.34 1.65 -0.41 0.00 1.31 0.00 0.00 55.95 58.84 1u2y s SER 43 Cb -0.09 -2.43 -0.17 0.00 0.21 0.00 0.00 66.02 63.54 1u2y s SER 43 CO 0.28 -1.82 1.53 -2.65 0.41 0.00 0.00 173.24 171.00 1u2y n PRO 44 N -3.37 0.74 0.00 12.44 -0.02 -1.26 -4.61 135.00 138.92 1u2y n PRO 44 Ca 0.08 0.27 0.14 0.00 -2.02 0.00 0.00 63.50 61.97 1u2y n PRO 44 Cb 0.54 -1.88 0.53 0.00 -0.02 0.00 0.00 33.50 32.67 1u2y n PRO 44 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1u2y n PRO 45 N 3.93 1.56 -3.54 0.52 -0.04 -1.26 -4.92 135.00 131.24 1u2y n PRO 45 Ca 0.25 -0.88 -0.30 0.00 -0.04 0.00 0.00 63.50 62.53 1u2y n PRO 45 Cb 0.09 -1.48 -0.04 0.00 -0.04 0.00 0.00 33.50 32.03 1u2y n PRO 45 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1u2y s ASN 46 N -2.05 6.47 0.18 3.54 4.22 -1.26 -3.04 114.94 123.00 1u2y s ASN 46 Ca 0.37 0.63 -0.33 0.00 -2.14 0.00 0.00 52.86 51.39 1u2y s ASN 46 Cb 0.21 -2.11 -0.14 0.00 1.28 0.00 0.00 41.25 40.49 1u2y s ASN 46 CO 0.35 -0.06 1.40 1.21 -2.04 0.00 0.00 177.10 177.96 1u2y n GLU 47 N -0.43 1.78 -4.46 3.55 2.13 0.29 -4.79 120.64 118.71 1u2y n GLU 47 Ca -0.02 0.64 -0.22 0.00 0.66 0.00 0.00 57.16 58.21 1u2y n GLU 47 Cb 0.53 -2.29 -0.10 0.00 0.27 0.00 0.00 31.44 29.85 1u2y n GLU 47 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 1u2y s ASN 48 N 0.44 2.41 0.27 4.31 4.22 -1.26 -1.38 114.94 123.95 1u2y s ASN 48 Ca 0.74 -1.43 -0.29 0.00 -2.14 0.00 0.00 52.86 49.74 1u2y s ASN 48 Cb -0.74 0.04 -0.09 0.00 1.28 0.00 0.00 41.25 41.73 1u2y s ASN 48 CO 0.46 -0.67 1.17 -0.69 -2.04 0.00 0.00 177.10 175.33 1u2y s VAL 49 N -3.30 3.32 -0.49 3.54 1.01 -0.84 -1.13 120.40 122.51 1u2y s VAL 49 Ca 0.34 1.27 -0.20 0.00 0.00 0.00 0.00 61.98 63.39 1u2y s VAL 49 Cb 0.08 -3.81 0.05 0.00 0.00 0.00 0.00 36.38 32.69 1u2y s VAL 49 CO 0.15 0.28 0.65 0.00 0.00 0.00 0.00 175.10 176.18 1u2y s ALA 50 N -0.92 3.36 -0.23 5.51 0.00 0.19 -4.74 121.76 124.93 1u2y s ALA 50 Ca 0.47 -1.55 -0.12 0.00 0.00 0.00 0.00 51.96 50.76 1u2y s ALA 50 Cb -0.34 -3.36 -0.05 0.00 0.00 0.00 0.00 23.12 19.38 1u2y s ALA 50 CO 0.43 -1.96 0.23 0.42 0.00 0.00 0.00 175.76 174.88 1u2y s ILE 51 N 2.77 5.31 -1.25 0.00 1.01 -1.26 -4.78 121.20 123.00 1u2y s ILE 51 Ca 0.18 0.34 0.16 0.00 0.00 0.00 0.00 60.65 61.34 1u2y s ILE 51 Cb -0.17 -3.57 -0.07 0.00 0.01 0.00 0.00 42.46 38.66 1u2y s ILE 51 CO 0.14 0.32 0.80 -1.22 0.00 0.00 0.00 174.94 174.99 1u2y n TYR 52 N 4.34 0.00 -3.54 3.97 4.01 -1.26 0.12 117.16 124.80 1u2y n TYR 52 Ca -0.13 0.00 -0.29 0.00 -0.16 0.00 0.00 57.90 57.32 1u2y n TYR 52 Cb 0.52 0.00 -0.14 0.00 -0.31 0.00 0.00 39.34 39.41 1u2y n TYR 52 CO 0.00 0.00 0.00 1.21 -0.46 0.00 0.00 176.86 177.61 1u2y s ASN 53 N -2.15 3.43 1.05 7.72 2.47 -1.26 -2.82 114.94 123.37 1u2y s ASN 53 Ca 0.11 -1.63 -0.12 0.00 0.42 0.00 0.00 52.86 51.63 1u2y s ASN 53 Cb 0.13 -0.44 0.22 0.00 -1.45 0.00 0.00 41.25 39.70 1u2y s ASN 53 CO 0.51 -0.39 1.07 -2.16 -3.72 0.00 0.00 177.10 172.41 1u2y s PRO 54 N 1.69 0.05 -0.49 0.43 0.04 -1.26 -5.05 135.00 130.41 1u2y s PRO 54 Ca 0.12 0.63 -0.27 0.00 0.04 0.00 0.00 61.00 61.52 1u2y s PRO 54 Cb -0.18 -1.68 -0.02 0.00 0.04 0.00 0.00 34.50 32.66 1u2y s PRO 54 CO -0.23 -3.02 1.78 0.12 0.04 0.00 0.00 177.00 175.68 1u2y s PHE 55 N -2.81 1.81 -1.02 0.56 5.36 -1.13 -4.21 117.98 116.55 1u2y s PHE 55 Ca 0.66 0.71 -0.17 0.00 -0.96 0.00 0.00 56.93 57.17 1u2y s PHE 55 Cb -0.20 -4.14 0.02 0.00 -0.34 0.00 0.00 43.02 38.36 1u2y s PHE 55 CO 0.60 -2.49 0.66 0.54 -1.46 0.00 0.00 175.22 173.07 1u2y n ARG 56 N 8.78 -0.95 -1.36 10.12 5.12 0.12 -4.57 116.66 133.92 1u2y n ARG 56 Ca 0.21 0.47 -0.32 0.00 -1.93 0.00 0.00 57.85 56.28 1u2y n ARG 56 Cb 0.50 -2.74 0.09 0.00 -1.16 0.00 0.00 32.46 29.15 1u2y n ARG 56 CO 0.00 0.00 0.00 -1.25 -1.93 0.00 0.00 177.63 174.45 1u2y s PRO 57 N -6.01 2.30 0.39 5.56 0.04 -1.26 -3.81 135.00 132.21 1u2y s PRO 57 Ca 0.26 1.29 0.06 0.00 0.04 0.00 0.00 61.00 62.65 1u2y s PRO 57 Cb -0.13 -1.89 0.79 0.00 0.04 0.00 0.00 34.50 33.30 1u2y s PRO 57 CO 0.92 -1.63 2.01 0.11 0.04 0.00 0.00 177.00 178.45 1u2y h TRP 58 N -0.84 0.53 0.00 0.56 5.08 -1.69 -2.66 115.95 116.93 1u2y h TRP 58 Ca -0.45 -0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.52 1u2y h TRP 58 Cb 1.24 -0.17 0.00 0.00 -3.00 0.00 0.00 29.16 27.23 1u2y h TRP 58 CO 0.56 0.39 0.00 -2.67 -1.28 0.00 0.00 178.44 175.43 1u2y n TRP 59 N -4.42 0.00 0.27 0.12 4.27 -1.26 -2.85 117.44 113.57 1u2y n TRP 59 Ca 0.03 0.00 0.16 0.00 -3.89 0.00 0.00 57.50 53.80 1u2y n TRP 59 Cb 0.11 -0.13 0.72 0.00 -1.36 0.00 0.00 31.31 30.65 1u2y n TRP 59 CO 0.00 0.00 0.00 1.05 -2.29 0.00 0.00 177.69 176.45 1u2y h GLU 60 N 0.00 0.00 0.00 -2.67 4.11 -1.80 -2.45 114.58 111.77 1u2y h GLU 60 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1u2y h GLU 60 Cb 0.09 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.34 1u2y h GLU 60 CO 0.00 0.07 0.00 0.54 0.07 0.00 0.00 179.01 179.69 1u2y n ARG 61 N -3.24 0.48 -0.67 1.06 1.74 -1.13 -2.38 116.66 112.52 1u2y n ARG 61 Ca -0.00 0.05 0.05 0.00 -0.77 0.00 0.00 57.85 57.18 1u2y n ARG 61 Cb 0.29 -1.50 0.30 0.00 -1.02 0.00 0.00 32.46 30.53 1u2y n ARG 61 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 1u2y n TYR 62 N -1.16 1.47 -3.64 -1.55 4.01 -0.92 -4.68 117.16 110.69 1u2y n TYR 62 Ca 0.13 -0.93 -0.28 0.00 -0.16 0.00 0.00 57.90 56.66 1u2y n TYR 62 Cb 0.13 -0.43 -0.11 0.00 -0.31 0.00 0.00 39.34 38.62 1u2y n TYR 62 CO 0.00 0.00 0.00 -0.65 -0.46 0.00 0.00 176.86 175.75 1u2y s GLN 63 N -2.87 1.51 0.58 -0.72 -0.21 -1.00 -4.89 119.66 112.06 1u2y s GLN 63 Ca 0.48 -2.49 -0.21 0.00 0.02 0.00 0.00 55.36 53.16 1u2y s GLN 63 Cb 0.38 -2.30 -0.04 0.00 1.00 0.00 0.00 33.01 32.05 1u2y s GLN 63 CO 0.11 -1.30 1.35 -2.14 -2.12 0.00 0.00 175.29 171.19 1u2y s PRO 64 N -0.36 2.95 0.00 2.91 0.02 -1.26 -1.99 135.00 137.27 1u2y s PRO 64 Ca 0.26 2.21 0.00 0.00 0.02 0.00 0.00 61.00 63.49 1u2y s PRO 64 Cb -0.06 -2.14 0.00 0.00 0.02 0.00 0.00 34.50 32.32 1u2y s PRO 64 CO -0.14 -1.33 0.00 0.28 -0.33 0.00 0.00 177.00 175.49 1u2y n VAL 65 N -1.29 0.00 -3.84 3.83 0.31 -0.48 -2.24 118.33 114.62 1u2y n VAL 65 Ca 0.12 0.00 -0.03 0.00 -0.01 0.00 0.00 64.34 64.42 1u2y n VAL 65 Cb 0.46 -0.68 0.02 0.00 -0.91 0.00 0.00 33.84 32.73 1u2y n VAL 65 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 1u2y n SER 66 N -1.84 -1.58 -1.38 4.52 3.41 -1.20 -4.74 113.62 110.81 1u2y n SER 66 Ca 0.00 -1.84 0.05 0.00 -0.26 0.00 0.00 58.87 56.81 1u2y n SER 66 Cb 0.39 2.57 0.30 0.00 -0.26 0.00 0.00 64.21 67.21 1u2y n SER 66 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 1u2y n TYR 67 N -0.64 1.54 -2.42 7.33 4.01 -1.26 -3.54 117.16 122.17 1u2y n TYR 67 Ca -0.02 -0.96 -0.41 0.00 -0.16 0.00 0.00 57.90 56.35 1u2y n TYR 67 Cb 0.52 -0.45 -0.04 0.00 -0.31 0.00 0.00 39.34 39.06 1u2y n TYR 67 CO 0.00 0.00 0.00 0.15 -0.46 0.00 0.00 176.86 176.55 1u2y s LYS 68 N -2.88 4.55 -1.32 -0.72 1.02 -1.26 -4.80 119.74 114.32 1u2y s LYS 68 Ca 0.48 1.84 -0.16 0.00 0.02 0.00 0.00 55.97 58.15 1u2y s LYS 68 Cb 0.39 -3.23 0.08 0.00 -0.52 0.00 0.00 37.83 34.55 1u2y s LYS 68 CO 0.11 0.02 1.82 1.28 -0.92 0.00 0.00 175.35 177.66 1u2y n LEU 69 N 2.05 5.48 -3.33 3.17 4.32 -1.26 -0.55 117.00 126.89 1u2y n LEU 69 Ca 0.02 -4.07 -0.10 0.00 -0.02 0.00 0.00 56.01 51.84 1u2y n LEU 69 Cb 0.45 -1.70 -0.07 0.00 -1.62 0.00 0.00 43.42 40.47 1u2y n LEU 69 CO 0.55 0.49 -0.08 0.00 -1.22 0.00 0.00 177.39 177.12 1u2y n THR 71 N 5.35 0.00 0.30 0.00 -2.24 -0.61 -3.71 114.28 113.37 1u2y n THR 71 Ca -0.01 -1.74 0.11 0.00 -2.27 0.00 0.00 64.05 60.14 1u2y n THR 71 Cb 0.49 0.91 0.51 0.00 -2.10 0.00 0.00 70.33 70.14 1u2y n THR 71 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1u2y n ARG 72 N -0.48 0.17 0.19 -0.78 1.74 -1.26 -1.44 116.66 114.80 1u2y n ARG 72 Ca 0.05 0.50 0.11 0.00 -0.77 0.00 0.00 57.85 57.73 1u2y n ARG 72 Cb 0.46 -1.89 0.12 0.00 -1.02 0.00 0.00 32.46 30.14 1u2y n ARG 72 CO 0.00 0.00 0.00 0.77 -1.52 0.00 0.00 177.63 176.88 1u2y h SER 73 N 0.00 0.00 -2.95 0.55 0.02 -1.91 -3.43 113.55 105.83 1u2y h SER 73 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1u2y h SER 73 Cb 0.22 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.76 1u2y h SER 73 CO 0.00 0.05 0.00 0.61 -1.14 0.00 0.00 176.83 176.35 1u2y n GLY 74 N 1.13 0.10 2.12 -3.77 0.00 -0.52 -1.18 105.19 103.07 1u2y n GLY 74 Ca 0.03 -1.77 -0.12 0.00 0.00 0.00 0.00 46.02 44.16 1u2y n GLY 74 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1u2y n ASN 75 N 3.00 1.39 -0.17 1.61 0.23 -1.26 -1.58 115.26 118.48 1u2y n ASN 75 Ca 0.00 -1.90 -0.02 0.00 -0.53 0.00 0.00 54.58 52.14 1u2y n ASN 75 Cb 0.00 -0.17 0.21 0.00 -2.08 0.00 0.00 39.78 37.74 1u2y n ASN 75 CO 0.00 0.00 0.00 -0.08 -0.93 0.00 0.00 177.26 176.25 1u2y h GLU 76 N 0.00 0.91 -0.17 -3.83 4.81 -1.45 -0.60 114.58 114.24 1u2y h GLU 76 Ca -0.16 -0.13 -0.01 0.00 -0.13 0.00 0.00 59.36 58.93 1u2y h GLU 76 Cb 0.69 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.89 1u2y h GLU 76 CO 0.24 0.72 0.07 -0.44 -0.73 0.00 0.00 179.01 178.86 1u2y h ASP 77 N 0.90 0.24 -0.31 1.04 3.32 -1.96 0.18 116.42 119.83 1u2y h ASP 77 Ca 0.22 -0.17 -0.05 0.00 0.02 0.00 0.00 57.03 57.05 1u2y h ASP 77 Cb 0.13 -0.06 -0.02 0.00 0.22 0.00 0.00 39.33 39.60 1u2y h ASP 77 CO -0.03 0.35 0.05 -0.33 -1.72 0.00 0.00 179.24 177.56 1u2y h GLU 78 N 0.12 0.62 -0.01 3.56 5.08 -1.91 -0.17 114.58 121.87 1u2y h GLU 78 Ca 0.06 -0.12 -0.00 0.00 -1.00 0.00 0.00 59.36 58.29 1u2y h GLU 78 Cb 0.18 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.34 1u2y h GLU 78 CO -0.00 0.60 0.00 0.35 -1.00 0.00 0.00 179.01 178.96 1u2y h PHE 79 N 0.60 0.02 -0.81 4.33 3.57 -0.75 -1.55 116.94 122.34 1u2y h PHE 79 Ca 0.13 -0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.63 1u2y h PHE 79 Cb 0.30 -0.00 -0.04 0.00 2.79 0.00 0.00 35.95 39.00 1u2y h PHE 79 CO 0.01 0.32 0.50 0.00 -2.23 0.00 0.00 178.31 176.91 1u2y h ARG 80 N -0.29 1.10 -0.62 1.11 3.08 -0.71 -1.52 114.38 116.52 1u2y h ARG 80 Ca 0.00 -0.09 0.03 0.00 0.07 0.00 0.00 59.98 59.99 1u2y h ARG 80 Cb 0.31 -0.23 -0.04 0.00 0.08 0.00 0.00 29.97 30.09 1u2y h ARG 80 CO 0.00 0.76 0.38 -0.97 -1.07 0.00 0.00 179.97 179.07 1u2y h ASN 81 N 1.11 0.62 -0.08 7.04 -0.73 -0.94 -0.67 115.58 121.93 1u2y h ASN 81 Ca 0.29 0.00 -0.00 0.00 1.87 0.00 0.00 56.30 58.46 1u2y h ASN 81 Cb -0.06 -0.13 -0.00 0.00 0.27 0.00 0.00 38.32 38.40 1u2y h ASN 81 CO -0.06 0.43 0.04 -0.03 -0.37 0.00 0.00 177.43 177.45 1u2y h MET 82 N 0.75 0.12 -0.61 6.67 4.05 -0.78 -1.06 114.93 124.06 1u2y h MET 82 Ca 0.25 -0.02 0.01 0.00 -0.28 0.00 0.00 59.70 59.66 1u2y h MET 82 Cb 0.02 -0.02 -0.03 0.00 -0.80 0.00 0.00 31.60 30.77 1u2y h MET 82 CO -0.10 0.19 0.40 0.28 0.23 0.00 0.00 176.91 177.91 1u2y h VAL 83 N 0.01 1.14 0.13 -5.77 2.07 -1.00 -0.34 116.25 112.50 1u2y h VAL 83 Ca 0.03 -0.28 -0.01 0.00 0.82 0.00 0.00 66.70 67.26 1u2y h VAL 83 Cb 0.11 0.26 0.00 0.00 -1.52 0.00 0.00 31.29 30.15 1u2y h VAL 83 CO -0.00 0.15 -0.06 0.74 0.02 0.00 0.00 177.57 178.41 1u2y h THR 84 N 0.81 0.94 -0.67 2.57 2.02 -1.00 -0.40 112.91 117.18 1u2y h THR 84 Ca 0.23 -0.29 -0.02 0.00 0.77 0.00 0.00 66.41 67.09 1u2y h THR 84 Cb -0.08 1.13 -0.03 0.00 -1.74 0.00 0.00 68.15 67.43 1u2y h THR 84 CO -0.06 0.07 0.33 0.03 0.37 0.00 0.00 175.52 176.27 1u2y h ARG 85 N -0.31 0.96 -0.22 6.66 3.08 -1.07 -0.72 114.38 122.75 1u2y h ARG 85 Ca -0.02 -0.14 -0.02 0.00 0.07 0.00 0.00 59.98 59.88 1u2y h ARG 85 Cb 0.25 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 30.12 1u2y h ARG 85 CO 0.03 0.75 0.07 0.00 -1.07 0.00 0.00 179.97 179.75 1u2y h ASN 87 N 0.18 1.04 0.32 0.00 2.35 -0.86 -0.68 115.58 117.93 1u2y h ASN 87 Ca 0.07 -0.02 0.00 0.00 -0.55 0.00 0.00 56.30 55.80 1u2y h ASN 87 Cb 0.24 -0.26 0.00 0.00 0.05 0.00 0.00 38.32 38.35 1u2y h ASN 87 CO -0.00 0.75 0.00 0.59 -1.65 0.00 0.00 177.43 177.11 1u2y n ASN 88 N -4.46 0.36 -0.59 5.81 3.02 -0.30 -1.11 115.26 118.00 1u2y n ASN 88 Ca 0.11 0.63 0.05 0.00 -0.03 0.00 0.00 54.58 55.33 1u2y n ASN 88 Cb 0.03 -0.69 0.14 0.00 -0.61 0.00 0.00 39.78 38.65 1u2y n ASN 88 CO 0.00 0.00 0.00 0.55 -2.62 0.00 0.00 177.26 175.19 1u2y n VAL 89 N -1.94 0.97 -1.00 2.41 3.14 -0.56 -4.98 118.33 116.36 1u2y n VAL 89 Ca 0.01 -0.98 -0.00 0.00 -2.96 0.00 0.00 64.34 60.40 1u2y n VAL 89 Cb 0.11 0.52 -0.00 0.00 -1.06 0.00 0.00 33.84 33.41 1u2y n VAL 89 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1u2y n GLY 90 N 0.44 0.43 3.31 7.55 0.00 -0.27 -4.78 105.19 111.87 1u2y n GLY 90 Ca 0.11 -0.75 -0.36 0.00 0.00 0.00 0.00 46.02 45.01 1u2y n GLY 90 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1u2y s VAL 91 N -2.00 3.60 0.61 1.61 1.01 -0.37 -4.46 120.40 120.39 1u2y s VAL 91 Ca 0.00 -0.66 -0.12 0.00 0.00 0.00 0.00 61.98 61.20 1u2y s VAL 91 Cb 0.00 -2.78 -0.04 0.00 0.00 0.00 0.00 36.38 33.56 1u2y s VAL 91 CO 0.00 0.22 1.03 -0.13 0.00 0.00 0.00 175.10 176.22 1u2y s ARG 92 N 1.47 3.57 -0.11 2.72 1.81 -0.77 -3.19 118.95 124.45 1u2y s ARG 92 Ca 0.03 0.84 0.03 0.00 -1.72 0.00 0.00 55.73 54.92 1u2y s ARG 92 Cb -0.16 -2.08 -0.00 0.00 -0.45 0.00 0.00 34.95 32.26 1u2y s ARG 92 CO -0.01 -0.59 -0.22 0.42 -0.68 0.00 0.00 175.30 174.23 1u2y s ILE 93 N -3.01 2.20 -0.13 1.52 -1.09 -1.26 0.02 121.20 119.44 1u2y s ILE 93 Ca 0.57 -0.97 0.02 0.00 -2.23 0.00 0.00 60.65 58.04 1u2y s ILE 93 Cb -0.11 -1.85 0.00 0.00 -1.58 0.00 0.00 42.46 38.91 1u2y s ILE 93 CO 0.49 0.55 -0.20 -0.31 -1.23 0.00 0.00 174.94 174.24 1u2y s TYR 94 N 0.40 2.68 -0.06 3.97 2.02 0.37 -0.78 117.35 125.96 1u2y s TYR 94 Ca -0.16 -1.10 -0.15 0.00 -0.37 0.00 0.00 57.07 55.29 1u2y s TYR 94 Cb -0.17 -1.81 -0.05 0.00 -0.40 0.00 0.00 41.96 39.53 1u2y s TYR 94 CO 0.07 -0.48 0.38 0.08 -1.57 0.00 0.00 175.55 174.04 1u2y s VAL 95 N 0.63 5.14 -0.64 0.71 1.01 -0.62 -1.65 120.40 124.98 1u2y s VAL 95 Ca -0.10 0.77 -0.27 0.00 0.00 0.00 0.00 61.98 62.38 1u2y s VAL 95 Cb -0.16 -3.70 0.04 0.00 0.00 0.00 0.00 36.38 32.56 1u2y s VAL 95 CO 0.03 0.50 1.16 -0.62 0.00 0.00 0.00 175.10 176.17 1u2y s ASP 96 N -0.48 6.30 -0.41 3.32 -1.08 -1.21 -0.53 116.67 122.58 1u2y s ASP 96 Ca 0.22 -0.27 -0.19 0.00 -0.52 0.00 0.00 52.55 51.79 1u2y s ASP 96 Cb -0.15 -2.52 0.02 0.00 -1.46 0.00 0.00 42.92 38.80 1u2y s ASP 96 CO 0.11 -1.57 0.57 0.00 0.52 0.00 0.00 175.17 174.79 1u2y s ALA 97 N 5.00 3.39 -0.83 3.66 0.00 0.11 -4.14 121.76 128.95 1u2y s ALA 97 Ca 0.36 -1.23 -0.16 0.00 0.00 0.00 0.00 51.96 50.93 1u2y s ALA 97 Cb -0.09 -3.18 0.19 0.00 0.00 0.00 0.00 23.12 20.03 1u2y s ALA 97 CO 0.19 -1.61 0.84 0.08 0.00 0.00 0.00 175.76 175.26 1u2y s VAL 98 N 2.57 5.33 -0.36 0.00 1.01 -1.26 -1.64 120.40 126.04 1u2y s VAL 98 Ca 0.19 -2.11 0.03 0.00 0.00 0.00 0.00 61.98 60.09 1u2y s VAL 98 Cb -0.15 -4.54 0.03 0.00 0.00 0.00 0.00 36.38 31.71 1u2y s VAL 98 CO 0.16 -1.15 0.61 2.30 0.00 0.00 0.00 175.10 177.02 1u2y n ILE 99 N 4.51 0.03 0.09 2.22 -5.35 -1.26 -4.65 119.36 114.95 1u2y n ILE 99 Ca 0.14 -0.52 -0.02 0.00 -0.27 0.00 0.00 62.75 62.09 1u2y n ILE 99 Cb 0.47 1.04 -0.04 0.00 -1.74 0.00 0.00 39.64 39.37 1u2y n ILE 99 CO 0.00 0.00 0.00 -1.13 -1.76 0.00 0.00 176.55 173.66 1u2y h ASN 100 N 0.57 0.00 -5.38 7.28 -1.24 -1.88 -3.46 115.58 111.48 1u2y h ASN 100 Ca 0.00 0.00 -0.19 0.00 0.71 0.00 0.00 56.30 56.82 1u2y h ASN 100 Cb 0.14 0.00 -0.06 0.00 0.73 0.00 0.00 38.32 39.12 1u2y h ASN 100 CO 0.00 0.70 -0.08 -1.38 -1.29 0.00 0.00 177.43 175.38 1u2y s HIS 101 N -2.85 0.77 0.00 0.67 -3.43 -1.26 -2.01 115.29 107.18 1u2y s HIS 101 Ca 0.02 -1.12 0.00 0.00 -0.80 0.00 0.00 55.06 53.16 1u2y s HIS 101 Cb 0.09 0.15 0.00 0.00 -1.43 0.00 0.00 32.58 31.38 1u2y s HIS 101 CO 0.78 -1.21 0.00 -1.33 -2.00 0.00 0.00 174.74 170.98 1u2y n MET 102 N -0.54 3.92 -2.04 -0.38 2.81 -0.44 -4.58 117.12 115.87 1u2y n MET 102 Ca -0.01 0.00 -0.29 0.00 -1.81 0.00 0.00 57.70 55.59 1u2y n MET 102 Cb 0.61 0.00 0.18 0.00 -0.71 0.00 0.00 33.22 33.30 1u2y n MET 102 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1u2y s GLY 104 N -4.89 2.87 0.61 0.00 0.00 -1.26 -1.58 107.32 103.07 1u2y s GLY 104 Ca 0.73 1.57 0.39 0.00 0.00 0.00 0.00 44.72 47.41 1u2y s GLY 104 CO 0.52 2.28 2.19 3.45 0.00 0.00 0.00 173.10 181.54 1u2y h ASN 105 N 3.18 0.00 0.14 1.64 -1.07 -1.43 -2.17 115.58 115.87 1u2y h ASN 105 Ca -0.50 0.00 0.00 0.00 0.07 0.00 0.00 56.30 55.87 1u2y h ASN 105 Cb 1.24 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.49 1u2y h ASN 105 CO 0.66 0.01 -0.25 0.00 0.07 0.00 0.00 177.43 177.91 1u2y n ALA 106 N -2.10 3.08 -1.82 4.14 0.00 -1.26 -4.23 120.51 118.32 1u2y n ALA 106 Ca -0.01 -0.47 -0.41 0.00 0.00 0.00 0.00 53.44 52.54 1u2y n ALA 106 Cb 0.18 -1.05 -0.02 0.00 0.00 0.00 0.00 19.45 18.56 1u2y n ALA 106 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1u2y s VAL 107 N -2.40 2.71 0.28 0.00 1.01 -0.82 -4.96 120.40 116.22 1u2y s VAL 107 Ca 0.25 0.68 -0.30 0.00 0.00 0.00 0.00 61.98 62.61 1u2y s VAL 107 Cb 0.19 -3.43 -0.10 0.00 0.00 0.00 0.00 36.38 33.04 1u2y s VAL 107 CO 0.49 0.14 1.40 -0.44 0.00 0.00 0.00 175.10 176.70 1u2y s SER 108 N -0.20 6.67 0.57 3.32 0.01 -1.26 -4.39 113.70 118.43 1u2y s SER 108 Ca 0.52 2.68 -0.19 0.00 1.31 0.00 0.00 55.95 60.28 1u2y s SER 108 Cb -0.40 -2.63 -0.05 0.00 0.21 0.00 0.00 66.02 63.15 1u2y s SER 108 CO 0.50 -0.66 1.14 0.00 0.41 0.00 0.00 173.24 174.63 1u2y s ALA 109 N -0.36 2.63 0.00 1.44 0.00 -1.26 -4.83 121.76 119.38 1u2y s ALA 109 Ca 0.56 0.82 0.00 0.00 0.00 0.00 0.00 51.96 53.34 1u2y s ALA 109 Cb -0.41 -3.37 0.00 0.00 0.00 0.00 0.00 23.12 19.34 1u2y s ALA 109 CO 0.47 -0.91 0.00 0.41 0.00 0.00 0.00 175.76 175.72 1u2y n GLY 110 N 0.12 0.17 0.67 0.00 0.00 -0.58 -4.92 105.19 100.66 1u2y n GLY 110 Ca 0.12 -1.25 0.06 0.00 0.00 0.00 0.00 46.02 44.95 1u2y n GLY 110 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1u2y n THR 111 N 9.00 1.88 -1.59 2.61 -2.24 -1.26 -1.82 114.28 120.86 1u2y n THR 111 Ca 0.00 -2.86 -0.41 0.00 -2.27 0.00 0.00 64.05 58.52 1u2y n THR 111 Cb 0.00 -0.07 -0.01 0.00 -2.10 0.00 0.00 70.33 68.14 1u2y n THR 111 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1u2y n SER 112 N -0.93 5.85 -4.32 3.42 2.88 -1.26 -4.40 113.62 114.86 1u2y n SER 112 Ca 0.17 -2.75 -0.17 0.00 -1.33 0.00 0.00 58.87 54.79 1u2y n SER 112 Cb 0.74 -1.61 -0.10 0.00 -0.75 0.00 0.00 64.21 62.49 1u2y n SER 112 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1u2y s SER 113 N 2.71 2.17 0.00 -3.46 1.04 -1.26 -0.64 113.70 114.26 1u2y s SER 113 Ca 0.56 -1.08 0.11 0.00 0.48 0.00 0.00 55.95 56.01 1u2y s SER 113 Cb 0.16 -0.07 0.48 0.00 0.10 0.00 0.00 66.02 66.69 1u2y s SER 113 CO -0.08 -0.32 1.32 0.35 0.98 0.00 0.00 173.24 175.50 1u2y n THR 114 N -0.35 1.13 -0.50 2.02 -2.24 -0.28 -2.57 114.28 111.49 1u2y n THR 114 Ca -0.08 0.28 0.00 0.00 -2.27 0.00 0.00 64.05 61.99 1u2y n THR 114 Cb 0.62 -1.10 0.00 0.00 -2.10 0.00 0.00 70.33 67.75 1u2y n THR 114 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1u2y n GLY 116 N -0.20 0.89 3.77 0.00 0.00 -1.06 -5.01 105.19 103.57 1u2y n GLY 116 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 1u2y n GLY 116 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1u2y s SER 117 N -2.85 6.01 0.16 1.61 0.01 -1.26 -4.81 113.70 112.56 1u2y s SER 117 Ca 0.00 2.91 -0.22 0.00 1.31 0.00 0.00 55.95 59.95 1u2y s SER 117 Cb 0.00 -2.65 -0.08 0.00 0.21 0.00 0.00 66.02 63.50 1u2y s SER 117 CO 0.00 -1.09 0.70 -0.47 0.41 0.00 0.00 173.24 172.80 1u2y s TYR 118 N -1.20 3.80 0.06 2.43 5.04 -1.26 -4.47 117.35 121.76 1u2y s TYR 118 Ca 0.59 1.46 -0.14 0.00 -2.44 0.00 0.00 57.07 56.54 1u2y s TYR 118 Cb -0.43 -2.65 0.02 0.00 0.35 0.00 0.00 41.96 39.25 1u2y s TYR 118 CO 0.56 0.48 0.31 -0.59 -1.34 0.00 0.00 175.55 174.98 1u2y s PHE 119 N -1.25 -0.10 -0.35 4.97 -0.71 -0.76 -4.26 117.98 115.52 1u2y s PHE 119 Ca 0.36 -0.08 0.01 0.00 -1.04 0.00 0.00 56.93 56.17 1u2y s PHE 119 Cb -0.20 0.11 0.14 0.00 -1.21 0.00 0.00 43.02 41.86 1u2y s PHE 119 CO 0.23 -0.54 0.27 1.21 -1.34 0.00 0.00 175.22 175.04 1u2y s ASN 120 N -2.25 2.34 0.23 1.98 3.84 0.14 -1.53 114.94 119.69 1u2y s ASN 120 Ca -0.03 -1.92 -0.06 0.00 0.21 0.00 0.00 52.86 51.06 1u2y s ASN 120 Cb 0.00 -0.05 0.36 0.00 -0.55 0.00 0.00 41.25 41.01 1u2y s ASN 120 CO -0.05 -0.30 1.78 -0.65 -2.79 0.00 0.00 177.10 175.09 1u2y h PRO 121 N 7.11 0.61 -0.41 0.43 0.11 -1.80 0.15 132.00 138.20 1u2y h PRO 121 Ca 0.04 -0.04 0.08 0.00 0.11 0.00 0.00 66.00 66.20 1u2y h PRO 121 Cb 1.00 -0.14 -0.08 0.00 0.11 0.00 0.00 31.00 31.89 1u2y h PRO 121 CO 0.25 0.41 -0.13 0.78 -0.21 0.00 0.00 178.00 179.09 1u2y h GLY 122 N 0.63 0.25 -2.44 -0.55 0.00 -1.80 -1.56 103.07 97.59 1u2y h GLY 122 Ca 0.36 0.17 0.00 0.00 0.00 0.00 0.00 47.33 47.86 1u2y h GLY 122 CO -0.27 -0.17 0.00 -1.14 0.00 0.00 0.00 176.54 174.96 1u2y n SER 123 N -5.34 3.69 -3.74 0.19 3.41 -1.09 -4.93 113.62 105.82 1u2y n SER 123 Ca 0.03 -2.30 -0.26 0.00 -0.26 0.00 0.00 58.87 56.08 1u2y n SER 123 Cb 0.25 -0.49 0.05 0.00 -0.26 0.00 0.00 64.21 63.76 1u2y n SER 123 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1u2y n ARG 124 N 0.88 -6.68 -3.85 4.33 3.00 -0.59 -4.31 116.66 109.44 1u2y n ARG 124 Ca 0.20 0.72 -0.36 0.00 -0.01 0.00 0.00 57.85 58.39 1u2y n ARG 124 Cb 0.69 -5.67 -0.13 0.00 0.00 0.00 0.00 32.46 27.34 1u2y n ARG 124 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.63 177.97 1u2y s ASP 125 N -3.41 4.76 -0.53 0.55 2.15 -0.03 -2.76 116.67 117.40 1u2y s ASP 125 Ca 0.57 -0.75 0.06 0.00 0.43 0.00 0.00 52.55 52.86 1u2y s ASP 125 Cb -0.27 -1.79 0.22 0.00 -0.30 0.00 0.00 42.92 40.78 1u2y s ASP 125 CO 0.78 -0.15 0.54 0.49 -0.17 0.00 0.00 175.17 176.66 1u2y n PHE 126 N 4.78 1.38 0.19 -5.34 3.01 -0.86 0.25 117.46 120.87 1u2y n PHE 126 Ca -0.15 -3.83 0.18 0.00 1.01 0.00 0.00 57.45 54.66 1u2y n PHE 126 Cb 0.48 -0.33 0.80 0.00 -0.01 0.00 0.00 39.48 40.41 1u2y n PHE 126 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 1u2y h PRO 127 N 4.68 0.00 0.00 -1.08 0.13 -1.77 -1.49 132.00 132.48 1u2y h PRO 127 Ca 0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 1u2y h PRO 127 Cb 0.80 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.93 1u2y h PRO 127 CO 0.60 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.37 1u2y n ALA 128 N -2.20 1.84 -0.06 -0.56 0.00 -1.26 -4.05 120.51 114.22 1u2y n ALA 128 Ca 0.03 0.03 -0.03 0.00 0.00 0.00 0.00 53.44 53.48 1u2y n ALA 128 Cb 0.48 -1.39 -0.01 0.00 0.00 0.00 0.00 19.45 18.53 1u2y n ALA 128 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1u2y h VAL 129 N 0.00 0.00 -2.88 0.00 2.07 -1.70 -3.44 116.25 110.30 1u2y h VAL 129 Ca 0.00 -0.92 -0.60 0.00 0.82 0.00 0.00 66.70 66.00 1u2y h VAL 129 Cb 0.44 0.00 -0.06 0.00 -1.52 0.00 0.00 31.29 30.15 1u2y h VAL 129 CO 0.00 0.00 -0.55 -2.16 0.02 0.00 0.00 177.57 174.88 1u2y s PRO 130 N -1.90 3.08 0.10 1.57 0.04 -1.26 -5.02 135.00 131.61 1u2y s PRO 130 Ca -0.08 -0.69 0.07 0.00 0.04 0.00 0.00 61.00 60.33 1u2y s PRO 130 Cb 0.01 -2.79 -0.03 0.00 0.04 0.00 0.00 34.50 31.72 1u2y s PRO 130 CO 0.12 0.54 -0.16 0.71 0.04 0.00 0.00 177.00 178.25 1u2y s TYR 131 N -1.58 1.49 0.23 0.56 2.02 -0.62 -4.98 117.35 114.46 1u2y s TYR 131 Ca 0.32 -0.48 0.03 0.00 -0.37 0.00 0.00 57.07 56.57 1u2y s TYR 131 Cb -0.11 -0.80 -0.01 0.00 -0.40 0.00 0.00 41.96 40.63 1u2y s TYR 131 CO 0.25 0.15 0.12 -1.13 -1.57 0.00 0.00 175.55 173.37 1u2y n SER 132 N 0.91 0.48 0.18 2.29 3.41 -1.25 -2.04 113.62 117.61 1u2y n SER 132 Ca -0.18 -2.32 0.17 0.00 -0.26 0.00 0.00 58.87 56.28 1u2y n SER 132 Cb 0.55 0.78 0.79 0.00 -0.26 0.00 0.00 64.21 66.07 1u2y n SER 132 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 1u2y h GLY 133 N 1.09 0.00 1.96 5.00 0.00 -1.70 -0.37 103.07 109.05 1u2y h GLY 133 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.16 1u2y h GLY 133 CO 0.26 0.00 0.00 0.79 0.00 0.00 0.00 176.54 177.59 1u2y n TRP 134 N -3.94 0.00 -0.09 5.60 7.02 -1.26 -3.15 117.44 121.61 1u2y n TRP 134 Ca 0.03 0.00 0.12 0.00 -1.02 0.00 0.00 57.50 56.62 1u2y n TRP 134 Cb 0.36 -0.48 0.29 0.00 -2.42 0.00 0.00 31.31 29.05 1u2y n TRP 134 CO 0.00 0.00 0.00 -0.25 -2.02 0.00 0.00 177.69 175.42 1u2y n ASP 135 N -1.48 3.74 -4.46 -0.99 8.00 -0.15 -4.95 116.55 116.27 1u2y n ASP 135 Ca 0.04 -2.00 -0.24 0.00 0.71 0.00 0.00 54.79 53.31 1u2y n ASP 135 Cb 0.19 -0.40 -0.10 0.00 -0.02 0.00 0.00 41.12 40.79 1u2y n ASP 135 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1u2y s PHE 136 N -1.20 2.27 -0.95 1.24 0.08 -1.19 -0.73 117.98 117.51 1u2y s PHE 136 Ca 0.45 -0.34 0.02 0.00 0.12 0.00 0.00 56.93 57.18 1u2y s PHE 136 Cb 0.25 -1.00 0.12 0.00 -0.57 0.00 0.00 43.02 41.82 1u2y s PHE 136 CO 0.33 0.68 0.71 0.09 -0.10 0.00 0.00 175.22 176.93 1u2y n ASN 137 N -0.50 1.66 -0.23 1.36 3.02 0.57 -4.42 115.26 116.73 1u2y n ASN 137 Ca -0.06 -2.13 0.03 0.00 -0.03 0.00 0.00 54.58 52.38 1u2y n ASN 137 Cb 0.59 -0.50 0.14 0.00 -0.61 0.00 0.00 39.78 39.40 1u2y n ASN 137 CO 0.00 0.00 0.00 0.44 -2.62 0.00 0.00 177.26 175.08 1u2y h ASP 138 N 0.61 0.17 1.27 6.41 3.32 -1.87 0.45 116.42 126.78 1u2y h ASP 138 Ca 0.00 0.10 0.00 0.00 0.02 0.00 0.00 57.03 57.15 1u2y h ASP 138 Cb 0.70 0.11 0.00 0.00 0.22 0.00 0.00 39.33 40.35 1u2y h ASP 138 CO 0.07 0.07 0.00 0.61 -1.72 0.00 0.00 179.24 178.28 1u2y n GLY 139 N -1.32 -1.59 0.13 2.75 0.00 -1.26 -3.70 105.19 100.19 1u2y n GLY 139 Ca 0.11 -0.01 -0.18 0.00 0.00 0.00 0.00 46.02 45.94 1u2y n GLY 139 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1u2y h LYS 140 N 0.00 0.22 -6.80 1.61 3.64 -1.31 -3.47 116.57 110.46 1u2y h LYS 140 Ca 0.00 -0.37 -0.53 0.00 -1.27 0.00 0.00 60.65 58.48 1u2y h LYS 140 Cb 0.64 0.14 0.07 0.00 -0.41 0.00 0.00 32.23 32.67 1u2y h LYS 140 CO 0.00 1.06 0.81 0.00 -2.27 0.00 0.00 179.45 179.05 1u2y n LYS 142 N 1.97 1.61 -2.00 0.00 4.01 -1.26 -4.98 118.16 117.51 1u2y n LYS 142 Ca 0.06 -1.52 -0.33 0.00 -0.51 0.00 0.00 58.31 56.02 1u2y n LYS 142 Cb 0.39 -1.36 0.01 0.00 -0.51 0.00 0.00 35.03 33.57 1u2y n LYS 142 CO 0.00 0.00 0.00 0.95 -1.11 0.00 0.00 177.40 177.24 1u2y s THR 143 N -1.64 3.82 0.34 -0.18 -4.23 -1.26 -4.95 115.64 107.53 1u2y s THR 143 Ca 0.21 0.83 0.17 0.00 -1.18 0.00 0.00 61.69 61.72 1u2y s THR 143 Cb 0.16 -3.38 0.14 0.00 1.34 0.00 0.00 72.50 70.75 1u2y s THR 143 CO 0.27 -0.53 1.85 1.23 -0.54 0.00 0.00 174.62 176.89 1u2y h GLY 144 N 0.32 0.00 0.59 3.99 0.00 -1.95 -3.02 103.07 103.02 1u2y h GLY 144 Ca -0.47 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.86 1u2y h GLY 144 CO 0.57 0.00 -1.27 -1.14 0.00 0.00 0.00 176.54 174.70 1u2y n SER 145 N -3.89 0.54 0.00 0.19 3.41 -1.26 -4.96 113.62 107.66 1u2y n SER 145 Ca -0.02 0.06 0.00 0.00 -0.26 0.00 0.00 58.87 58.65 1u2y n SER 145 Cb 0.40 0.98 0.00 0.00 -0.26 0.00 0.00 64.21 65.32 1u2y n SER 145 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1u2y n GLY 146 N 1.27 1.29 3.86 5.00 0.00 -1.14 -5.03 105.19 110.43 1u2y n GLY 146 Ca -0.00 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 1u2y n GLY 146 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1u2y s ASP 147 N -3.10 4.92 -0.09 1.61 1.01 -1.26 -2.15 116.67 117.61 1u2y s ASP 147 Ca 0.00 -0.84 -0.30 0.00 0.71 0.00 0.00 52.55 52.13 1u2y s ASP 147 Cb 0.00 -0.47 -0.03 0.00 1.01 0.00 0.00 42.92 43.42 1u2y s ASP 147 CO 0.00 -0.68 1.32 -0.63 0.21 0.00 0.00 175.17 175.39 1u2y s ILE 148 N -2.52 4.09 -0.10 0.77 1.01 -0.52 -4.66 121.20 119.27 1u2y s ILE 148 Ca 0.46 1.37 0.07 0.00 0.00 0.00 0.00 60.65 62.56 1u2y s ILE 148 Cb -0.02 -3.89 -0.11 0.00 0.01 0.00 0.00 42.46 38.46 1u2y s ILE 148 CO 0.27 -0.07 0.01 -0.62 0.00 0.00 0.00 174.94 174.53 1u2y n GLU 149 N 6.05 2.07 -3.75 2.79 1.02 -1.26 -4.84 120.64 122.71 1u2y n GLU 149 Ca 0.13 0.01 -0.25 0.00 -0.02 0.00 0.00 57.16 57.03 1u2y n GLU 149 Cb 0.45 -1.24 -0.17 0.00 -0.02 0.00 0.00 31.44 30.45 1u2y n GLU 149 CO 0.00 0.00 0.00 1.21 1.18 0.00 0.00 177.13 179.52 1u2y s ASN 150 N -4.35 2.20 0.00 1.62 3.04 -1.26 -5.01 114.94 111.19 1u2y s ASN 150 Ca -0.07 -0.43 0.23 0.00 0.04 0.00 0.00 52.86 52.63 1u2y s ASN 150 Cb 0.03 -0.51 1.32 0.00 -1.54 0.00 0.00 41.25 40.56 1u2y s ASN 150 CO 0.37 -0.25 1.73 -1.22 -3.04 0.00 0.00 177.10 174.69 1u2y n TYR 151 N 5.11 0.00 1.29 0.43 4.02 -1.26 -2.48 117.16 124.27 1u2y n TYR 151 Ca -0.08 0.00 0.13 0.00 -0.01 0.00 0.00 57.90 57.94 1u2y n TYR 151 Cb 0.49 -0.04 0.48 0.00 -0.02 0.00 0.00 39.34 40.25 1u2y n TYR 151 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 176.86 175.94 1u2y n ASN 152 N -1.04 0.69 -4.20 7.72 5.03 -1.26 -4.50 115.26 117.71 1u2y n ASN 152 Ca 0.16 -0.65 -0.39 0.00 0.87 0.00 0.00 54.58 54.57 1u2y n ASN 152 Cb 0.09 0.02 -0.10 0.00 -1.02 0.00 0.00 39.78 38.78 1u2y n ASN 152 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 1u2y s ASP 153 N -2.54 5.54 0.61 6.41 2.15 -1.03 -4.73 116.67 123.07 1u2y s ASP 153 Ca 0.25 -1.84 0.33 0.00 0.43 0.00 0.00 52.55 51.72 1u2y s ASP 153 Cb 0.19 -1.95 1.92 0.00 -0.30 0.00 0.00 42.92 42.79 1u2y s ASP 153 CO 0.51 -0.61 2.24 0.00 -0.17 0.00 0.00 175.17 177.15 1u2y h ALA 154 N 8.32 1.46 0.02 3.66 0.00 -1.86 -2.80 119.26 128.05 1u2y h ALA 154 Ca -0.19 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.72 1u2y h ALA 154 Cb 1.07 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.86 1u2y h ALA 154 CO 0.79 -0.07 -0.01 1.15 0.00 0.00 0.00 179.25 181.11 1u2y h THR 155 N 0.00 1.44 0.00 0.00 2.02 -1.94 -3.19 112.91 111.23 1u2y h THR 155 Ca 0.02 -1.48 -0.06 0.00 0.77 0.00 0.00 66.41 65.66 1u2y h THR 155 Cb 0.12 2.42 -0.01 0.00 -1.74 0.00 0.00 68.15 68.94 1u2y h THR 155 CO -0.00 0.38 -0.26 0.06 0.37 0.00 0.00 175.52 176.06 1u2y h GLN 156 N -0.68 0.00 -0.07 6.66 3.07 -1.86 0.02 115.11 122.26 1u2y h GLN 156 Ca -0.00 0.00 -0.02 0.00 0.09 0.00 0.00 58.65 58.71 1u2y h GLN 156 Cb 0.64 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.19 1u2y h GLN 156 CO 0.00 0.26 -0.07 0.28 0.09 0.00 0.00 178.83 179.40 1u2y h VAL 157 N 0.00 1.09 0.05 1.86 2.07 -1.54 -1.03 116.25 118.75 1u2y h VAL 157 Ca -0.00 -0.40 -0.37 0.00 0.82 0.00 0.00 66.70 66.75 1u2y h VAL 157 Cb 0.65 1.12 -0.05 0.00 -1.52 0.00 0.00 31.29 31.49 1u2y h VAL 157 CO 0.03 0.12 -2.19 0.54 0.02 0.00 0.00 177.57 176.10 1u2y n ARG 158 N -4.40 0.70 0.00 1.57 3.00 -0.82 -4.47 116.66 112.24 1u2y n ARG 158 Ca -0.02 0.20 0.11 0.00 -0.01 0.00 0.00 57.85 58.13 1u2y n ARG 158 Cb 0.18 -1.63 0.11 0.00 0.00 0.00 0.00 32.46 31.12 1u2y n ARG 158 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38 1u2y n ASP 159 N -3.29 0.68 -4.85 0.55 8.00 -0.07 -4.68 116.55 112.89 1u2y n ASP 159 Ca -0.36 -0.50 -0.21 0.00 0.71 0.00 0.00 54.79 54.43 1u2y n ASP 159 Cb 1.04 0.54 -0.04 0.00 -0.02 0.00 0.00 41.12 42.64 1u2y n ASP 159 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1u2y s ARG 161 N -4.07 4.30 -0.41 0.00 0.52 -0.91 -4.64 118.95 113.74 1u2y s ARG 161 Ca 0.45 1.70 -0.28 0.00 -0.52 0.00 0.00 55.73 57.08 1u2y s ARG 161 Cb -0.03 -3.64 -0.00 0.00 0.52 0.00 0.00 34.95 31.80 1u2y s ARG 161 CO 0.27 -0.55 1.57 -1.17 0.02 0.00 0.00 175.30 175.43 1u2y s LEU 162 N 2.70 3.52 -1.55 2.53 2.96 -1.25 -1.44 118.68 126.14 1u2y s LEU 162 Ca 0.56 0.90 -0.04 0.00 -0.22 0.00 0.00 54.13 55.33 1u2y s LEU 162 Cb -0.24 -3.42 0.04 0.00 0.50 0.00 0.00 46.19 43.07 1u2y s LEU 162 CO 0.20 -1.61 0.29 0.35 -1.32 0.00 0.00 176.35 174.25 1u2y n THR 163 N 7.18 -1.63 -0.14 3.68 -2.24 -1.26 -1.47 114.28 118.40 1u2y n THR 163 Ca 0.18 -0.40 0.00 0.00 -2.27 0.00 0.00 64.05 61.57 1u2y n THR 163 Cb 0.48 -1.61 0.00 0.00 -2.10 0.00 0.00 70.33 67.10 1u2y n THR 163 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1u2y n GLY 164 N -2.10 2.12 3.70 3.38 0.00 -1.22 -4.96 105.19 106.10 1u2y n GLY 164 Ca -0.24 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.36 1u2y n GLY 164 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1u2y s LEU 165 N 0.00 4.35 -0.06 0.99 1.02 -0.54 -1.04 118.68 123.39 1u2y s LEU 165 Ca 0.00 2.28 -0.34 0.00 0.02 0.00 0.00 54.13 56.08 1u2y s LEU 165 Cb 0.00 -3.57 -0.12 0.00 0.02 0.00 0.00 46.19 42.52 1u2y s LEU 165 CO 0.00 -0.73 1.83 0.18 0.02 0.00 0.00 176.35 177.65 1u2y n LEU 166 N 4.90 3.34 -4.59 1.79 4.77 -0.62 -3.94 117.00 122.64 1u2y n LEU 166 Ca 0.13 0.99 -0.41 0.00 -0.03 0.00 0.00 56.01 56.69 1u2y n LEU 166 Cb 0.42 -1.37 -0.07 0.00 -2.33 0.00 0.00 43.42 40.08 1u2y n LEU 166 CO 0.59 -0.11 0.34 -0.62 -1.33 0.00 0.00 177.39 176.27 1u2y s ASP 167 N 3.59 6.46 0.27 -1.43 2.15 -1.26 -1.33 116.67 125.12 1u2y s ASP 167 Ca 0.91 0.36 -0.29 0.00 0.43 0.00 0.00 52.55 53.96 1u2y s ASP 167 Cb -0.71 -2.31 -0.10 0.00 -0.30 0.00 0.00 42.92 39.50 1u2y s ASP 167 CO 0.50 -0.46 1.27 -0.76 -0.17 0.00 0.00 175.17 175.56 1u2y s LEU 168 N 2.54 4.45 -1.33 -1.34 1.43 -0.85 -0.31 118.68 123.27 1u2y s LEU 168 Ca 0.24 2.52 -0.17 0.00 -1.03 0.00 0.00 54.13 55.68 1u2y s LEU 168 Cb -0.15 -3.63 0.06 0.00 0.03 0.00 0.00 46.19 42.50 1u2y s LEU 168 CO 0.12 -0.47 1.83 0.00 0.23 0.00 0.00 176.35 178.06 1u2y n ALA 169 N 1.54 3.89 0.39 4.21 0.00 0.10 -4.63 120.51 126.01 1u2y n ALA 169 Ca 0.02 -3.85 0.04 0.00 0.00 0.00 0.00 53.44 49.65 1u2y n ALA 169 Cb 0.43 -3.60 0.20 0.00 0.00 0.00 0.00 19.45 16.48 1u2y n ALA 169 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1u2y n LEU 170 N 8.04 0.00 0.16 0.00 4.77 -1.26 -1.97 117.00 126.74 1u2y n LEU 170 Ca 0.49 0.14 0.12 0.00 -0.03 0.00 0.00 56.01 56.74 1u2y n LEU 170 Cb 0.45 -0.14 0.10 0.00 -2.33 0.00 0.00 43.42 41.50 1u2y n LEU 170 CO 0.79 -0.11 0.45 1.05 -1.33 0.00 0.00 177.39 178.24 1u2y h GLU 171 N 0.00 0.00 -6.57 3.23 9.09 -1.96 -3.43 114.58 114.94 1u2y h GLU 171 Ca 0.00 0.00 -0.52 0.00 0.05 0.00 0.00 59.36 58.89 1u2y h GLU 171 Cb 0.03 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.13 1u2y h GLU 171 CO 0.00 0.00 0.49 0.15 0.05 0.00 0.00 179.01 179.70 1u2y s LYS 172 N -3.27 4.54 0.27 1.06 1.02 -0.83 -4.95 119.74 117.58 1u2y s LYS 172 Ca 0.04 1.69 -0.04 0.00 0.02 0.00 0.00 55.97 57.68 1u2y s LYS 172 Cb 0.08 -3.32 0.36 0.00 -0.52 0.00 0.00 37.83 34.42 1u2y s LYS 172 CO 0.72 -0.04 1.94 0.22 -0.92 0.00 0.00 175.35 177.26 1u2y h ASP 173 N 5.87 1.05 -0.26 2.83 3.58 -1.89 -1.67 116.42 125.93 1u2y h ASP 173 Ca -0.43 -0.02 0.03 0.00 0.42 0.00 0.00 57.03 57.03 1u2y h ASP 173 Cb 1.21 -0.25 -0.03 0.00 1.72 0.00 0.00 39.33 41.98 1u2y h ASP 173 CO 0.76 0.75 0.07 0.22 -2.88 0.00 0.00 179.24 178.15 1u2y h TYR 174 N 1.23 0.12 -0.45 0.28 3.20 -1.95 0.74 116.97 120.15 1u2y h TYR 174 Ca 0.36 0.01 -0.05 0.00 3.14 0.00 0.00 58.73 62.20 1u2y h TYR 174 Cb -0.08 -0.01 -0.02 0.00 1.54 0.00 0.00 36.73 38.16 1u2y h TYR 174 CO -0.00 0.04 0.10 0.28 -1.64 0.00 0.00 178.16 176.94 1u2y h VAL 175 N 0.17 1.24 -0.74 1.81 2.07 -1.77 -1.64 116.25 117.39 1u2y h VAL 175 Ca 0.12 -0.84 0.01 0.00 0.82 0.00 0.00 66.70 66.81 1u2y h VAL 175 Cb 0.11 0.93 -0.04 0.00 -1.52 0.00 0.00 31.29 30.77 1u2y h VAL 175 CO -0.14 0.30 0.49 0.03 0.02 0.00 0.00 177.57 178.26 1u2y h ARG 176 N 0.59 0.97 -0.37 1.57 3.08 -1.00 -1.99 114.38 117.23 1u2y h ARG 176 Ca 0.14 -0.06 -0.16 0.00 0.07 0.00 0.00 59.98 59.97 1u2y h ARG 176 Cb 0.34 -0.22 -0.01 0.00 0.08 0.00 0.00 29.97 30.17 1u2y h ARG 176 CO 0.00 0.64 -0.38 0.77 -1.07 0.00 0.00 179.97 179.94 1u2y h SER 177 N 1.00 0.98 -0.37 7.04 0.02 -0.51 -0.73 113.55 120.98 1u2y h SER 177 Ca 0.27 -0.47 -0.08 0.00 -0.84 0.00 0.00 61.79 60.67 1u2y h SER 177 Cb -0.11 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 62.13 1u2y h SER 177 CO -0.06 1.24 -0.06 0.11 -1.14 0.00 0.00 176.83 176.93 1u2y h LYS 178 N 0.73 0.78 -0.26 3.45 1.79 -0.94 0.17 116.57 122.29 1u2y h LYS 178 Ca 0.06 -0.23 -0.10 0.00 -2.18 0.00 0.00 60.65 58.20 1u2y h LYS 178 Cb 0.97 -0.08 -0.00 0.00 -1.58 0.00 0.00 32.23 31.54 1u2y h LYS 178 CO 0.09 0.82 -0.21 0.82 -1.08 0.00 0.00 179.45 179.90 1u2y h ILE 179 N 0.72 1.31 -0.38 1.86 2.04 -1.30 -2.28 117.51 119.48 1u2y h ILE 179 Ca 0.13 -1.35 -0.09 0.00 1.00 0.00 0.00 64.86 64.55 1u2y h ILE 179 Cb 0.52 1.61 -0.02 0.00 -0.74 0.00 0.00 36.82 38.19 1u2y h ILE 179 CO 0.03 0.43 -0.13 0.00 0.00 0.00 0.00 178.15 178.48 1u2y h ALA 180 N 0.70 1.06 -0.75 1.87 0.00 -0.89 -0.99 119.26 120.26 1u2y h ALA 180 Ca 0.05 -0.31 0.01 0.00 0.00 0.00 0.00 54.91 54.66 1u2y h ALA 180 Cb 0.75 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.35 1u2y h ALA 180 CO 0.05 0.57 0.49 1.49 0.00 0.00 0.00 179.25 181.86 1u2y h GLU 181 N 0.62 0.97 -0.12 0.00 4.81 -0.56 0.24 114.58 120.53 1u2y h GLU 181 Ca 0.11 -0.06 -0.01 0.00 -0.13 0.00 0.00 59.36 59.27 1u2y h GLU 181 Cb 0.58 -0.22 -0.01 0.00 0.63 0.00 0.00 28.75 29.73 1u2y h GLU 181 CO 0.04 0.64 0.04 -0.92 -0.73 0.00 0.00 179.01 178.08 1u2y h TYR 182 N 0.99 0.19 -0.40 0.92 3.20 -0.87 -2.30 116.97 118.71 1u2y h TYR 182 Ca 0.28 -0.02 -0.11 0.00 3.14 0.00 0.00 58.73 62.03 1u2y h TYR 182 Cb -0.08 -0.06 -0.01 0.00 1.54 0.00 0.00 36.73 38.12 1u2y h TYR 182 CO -0.02 0.30 -0.20 0.52 -1.64 0.00 0.00 178.16 177.11 1u2y h MET 183 N 0.02 0.77 0.00 1.82 2.86 -0.79 -2.76 114.93 116.86 1u2y h MET 183 Ca 0.04 -0.30 -0.08 0.00 -2.06 0.00 0.00 59.70 57.30 1u2y h MET 183 Cb 0.20 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 31.80 1u2y h MET 183 CO -0.00 0.91 -0.39 -0.91 1.06 0.00 0.00 176.91 177.58 1u2y h ASN 184 N 0.68 0.00 -0.50 1.22 2.35 -0.52 -0.14 115.58 118.67 1u2y h ASN 184 Ca 0.10 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.82 1u2y h ASN 184 Cb 0.71 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 39.05 1u2y h ASN 184 CO 0.05 0.39 0.21 -0.74 -1.65 0.00 0.00 177.43 175.70 1u2y h HIS 185 N 0.00 0.76 -0.48 1.19 2.76 -1.13 -0.29 115.15 117.95 1u2y h HIS 185 Ca -0.00 -0.05 -0.13 0.00 -2.20 0.00 0.00 60.37 57.98 1u2y h HIS 185 Cb 0.72 -0.23 -0.01 0.00 1.55 0.00 0.00 27.41 29.44 1u2y h HIS 185 CO 0.00 0.62 -0.22 -0.07 -1.30 0.00 0.00 177.93 176.97 1u2y h LEU 186 N 0.67 1.02 -0.30 0.26 3.38 -1.22 -2.12 115.31 117.00 1u2y h LEU 186 Ca 0.17 -0.40 -0.00 0.00 0.09 0.00 0.00 57.88 57.74 1u2y h LEU 186 Cb 0.18 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.63 1u2y h LEU 186 CO -0.02 1.19 0.18 0.40 0.09 0.00 0.00 178.44 180.29 1u2y h ILE 187 N 0.85 1.10 0.00 1.22 2.04 -0.76 -1.67 117.51 120.29 1u2y h ILE 187 Ca 0.11 -0.21 -0.02 0.00 1.00 0.00 0.00 64.86 65.74 1u2y h ILE 187 Cb 0.80 0.70 -0.00 0.00 -0.74 0.00 0.00 36.82 37.58 1u2y h ILE 187 CO 0.07 0.09 -0.09 0.44 0.00 0.00 0.00 178.15 178.66 1u2y h ASP 188 N 0.39 0.00 0.41 1.72 3.32 -0.96 -0.93 116.42 120.36 1u2y h ASP 188 Ca 0.11 0.00 -0.16 0.00 0.02 0.00 0.00 57.03 57.00 1u2y h ASP 188 Cb -0.01 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.53 1u2y h ASP 188 CO -0.02 0.09 -0.66 0.40 -1.72 0.00 0.00 179.24 177.34 1u2y h ILE 189 N 0.00 1.41 0.00 0.35 2.04 -0.63 -3.47 117.51 117.21 1u2y h ILE 189 Ca -0.00 -2.11 0.00 0.00 1.00 0.00 0.00 64.86 63.75 1u2y h ILE 189 Cb 0.35 2.09 0.00 0.00 -0.74 0.00 0.00 36.82 38.52 1u2y h ILE 189 CO 0.01 0.62 0.00 0.61 0.00 0.00 0.00 178.15 179.39 1u2y n GLY 190 N 0.38 -0.25 3.75 5.37 0.00 -0.35 -4.76 105.19 109.33 1u2y n GLY 190 Ca -0.03 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.64 1u2y n GLY 190 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1u2y s VAL 191 N -0.71 2.59 -1.12 1.61 -7.23 -0.99 -4.77 120.40 109.76 1u2y s VAL 191 Ca 0.00 0.35 0.22 0.00 -1.81 0.00 0.00 61.98 60.74 1u2y s VAL 191 Cb 0.00 -3.10 -0.16 0.00 0.56 0.00 0.00 36.38 33.68 1u2y s VAL 191 CO 0.00 -0.09 1.01 0.00 -0.31 0.00 0.00 175.10 175.71 1u2y n ALA 192 N -1.76 4.42 0.00 1.32 0.00 0.04 -4.70 120.51 119.83 1u2y n ALA 192 Ca 0.14 -0.56 0.00 0.00 0.00 0.00 0.00 53.44 53.01 1u2y n ALA 192 Cb 0.50 -0.83 0.00 0.00 0.00 0.00 0.00 19.45 19.11 1u2y n ALA 192 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1u2y n GLY 193 N 1.49 -1.53 3.04 0.00 0.00 -1.24 -1.21 105.19 105.74 1u2y n GLY 193 Ca 0.05 -1.04 -0.09 0.00 0.00 0.00 0.00 46.02 44.94 1u2y n GLY 193 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1u2y s PHE 194 N -2.40 0.26 -0.28 1.61 0.40 0.94 -1.59 117.98 116.92 1u2y s PHE 194 Ca 0.00 -0.56 -0.10 0.00 -0.60 0.00 0.00 56.93 55.67 1u2y s PHE 194 Cb 0.00 -0.20 -0.04 0.00 0.51 0.00 0.00 43.02 43.30 1u2y s PHE 194 CO 0.00 -0.27 0.16 0.50 0.70 0.00 0.00 175.22 176.31 1u2y s ARG 195 N -2.08 3.77 -0.51 0.44 3.52 0.31 -1.92 118.95 122.47 1u2y s ARG 195 Ca -0.10 -0.43 -0.21 0.00 -0.13 0.00 0.00 55.73 54.86 1u2y s ARG 195 Cb -0.05 -3.58 0.05 0.00 -1.56 0.00 0.00 34.95 29.80 1u2y s ARG 195 CO -0.03 -0.23 0.75 -0.51 -0.81 0.00 0.00 175.30 174.46 1u2y s LEU 196 N 1.71 4.59 0.34 -0.88 1.43 -0.16 -0.71 118.68 124.99 1u2y s LEU 196 Ca 0.07 -0.63 -0.29 0.00 -1.03 0.00 0.00 54.13 52.25 1u2y s LEU 196 Cb -0.16 -2.63 -0.10 0.00 0.03 0.00 0.00 46.19 43.33 1u2y s LEU 196 CO 0.09 -1.00 1.35 -0.62 0.23 0.00 0.00 176.35 176.39 1u2y s ASP 197 N 2.66 6.68 -1.49 2.29 2.15 -0.65 -1.21 116.67 127.10 1u2y s ASP 197 Ca 0.22 2.76 -0.10 0.00 0.43 0.00 0.00 52.55 55.86 1u2y s ASP 197 Cb -0.16 -2.65 0.07 0.00 -0.30 0.00 0.00 42.92 39.87 1u2y s ASP 197 CO 0.15 -0.61 0.80 0.00 -0.17 0.00 0.00 175.17 175.35 1u2y n ALA 198 N 0.80 -1.55 0.25 3.66 0.00 -1.26 -4.55 120.51 117.86 1u2y n ALA 198 Ca 0.00 0.01 0.09 0.00 0.00 0.00 0.00 53.44 53.55 1u2y n ALA 198 Cb 0.41 -3.31 0.64 0.00 0.00 0.00 0.00 19.45 17.19 1u2y n ALA 198 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 1u2y h SER 199 N -1.91 0.00 0.04 0.00 0.02 -1.27 -1.54 113.55 108.89 1u2y h SER 199 Ca -0.60 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.35 1u2y h SER 199 Cb 1.37 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.91 1u2y h SER 199 CO 0.66 0.11 -0.03 0.50 -1.14 0.00 0.00 176.83 176.93 1u2y h LYS 200 N 0.00 0.00 -0.39 3.45 3.64 -1.88 -1.72 116.57 119.67 1u2y h LYS 200 Ca -0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1u2y h LYS 200 Cb 0.21 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.03 1u2y h LYS 200 CO 0.01 0.03 0.00 0.72 -2.27 0.00 0.00 179.45 177.94 1u2y n HIS 201 N -4.36 0.51 -4.33 1.91 8.25 -0.58 -4.66 115.22 111.96 1u2y n HIS 201 Ca -0.03 -0.24 -0.21 0.00 -0.26 0.00 0.00 57.72 56.98 1u2y n HIS 201 Cb 0.11 -0.03 -0.13 0.00 1.12 0.00 0.00 29.99 31.07 1u2y n HIS 201 CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 1u2y s MET 202 N -1.57 0.99 0.20 -0.41 -1.94 -0.65 -4.36 119.30 111.56 1u2y s MET 202 Ca 0.23 -0.91 -0.30 0.00 -1.71 0.00 0.00 55.69 53.01 1u2y s MET 202 Cb 0.13 -1.06 -0.08 0.00 2.01 0.00 0.00 34.83 35.82 1u2y s MET 202 CO 0.15 0.25 1.16 -1.58 -0.01 0.00 0.00 175.02 174.99 1u2y s TRP 203 N -1.02 3.49 0.34 -0.03 0.52 -1.26 -4.91 118.94 116.07 1u2y s TRP 203 Ca 0.02 1.51 0.10 0.00 0.02 0.00 0.00 56.10 57.76 1u2y s TRP 203 Cb -0.09 -3.37 0.86 0.00 -1.15 0.00 0.00 33.47 29.72 1u2y s TRP 203 CO 0.02 -0.94 1.81 -1.35 0.02 0.00 0.00 176.95 176.50 1u2y h PRO 204 N 4.99 0.63 -0.12 4.98 0.11 -1.89 -0.24 132.00 140.46 1u2y h PRO 204 Ca -0.45 -0.04 -0.09 0.00 0.11 0.00 0.00 66.00 65.53 1u2y h PRO 204 Cb 1.21 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 32.17 1u2y h PRO 204 CO 0.73 0.42 -0.34 0.78 -0.21 0.00 0.00 178.00 179.37 1u2y h GLY 205 N 0.65 0.27 1.23 -0.55 0.00 -1.93 -1.68 103.07 101.06 1u2y h GLY 205 Ca 0.54 -0.23 -0.19 0.00 0.00 0.00 0.00 47.33 47.44 1u2y h GLY 205 CO -0.30 0.21 -0.62 -0.55 0.00 0.00 0.00 176.54 175.29 1u2y h ASP 206 N 0.22 0.90 -0.32 0.19 3.32 -1.40 -2.29 116.42 117.04 1u2y h ASP 206 Ca 0.03 -0.51 -0.00 0.00 0.02 0.00 0.00 57.03 56.56 1u2y h ASP 206 Cb 0.71 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.99 1u2y h ASP 206 CO 0.05 1.30 0.19 0.40 -1.72 0.00 0.00 179.24 179.47 1u2y h ILE 207 N 0.59 1.11 -0.77 0.35 2.04 -1.20 -2.50 117.51 117.14 1u2y h ILE 207 Ca -0.01 -0.27 0.06 0.00 1.00 0.00 0.00 64.86 65.65 1u2y h ILE 207 Cb 1.22 0.71 -0.06 0.00 -0.74 0.00 0.00 36.82 37.96 1u2y h ILE 207 CO 0.13 0.11 0.46 0.50 0.00 0.00 0.00 178.15 179.35 1u2y h LYS 208 N 0.41 0.82 -0.97 2.37 1.63 -1.22 -0.10 116.57 119.51 1u2y h LYS 208 Ca 0.11 -0.05 0.01 0.00 -0.85 0.00 0.00 60.65 59.87 1u2y h LYS 208 Cb 0.01 -0.19 -0.05 0.00 -0.60 0.00 0.00 32.23 31.41 1u2y h LYS 208 CO -0.02 0.54 0.63 0.00 -3.45 0.00 0.00 179.45 177.15 1u2y h ALA 209 N 1.37 1.28 -0.22 5.00 0.00 -1.13 -0.48 119.26 125.09 1u2y h ALA 209 Ca 0.34 -0.08 -0.07 0.00 0.00 0.00 0.00 54.91 55.10 1u2y h ALA 209 Cb 0.17 -0.39 -0.00 0.00 0.00 0.00 0.00 17.79 17.56 1u2y h ALA 209 CO -0.17 0.65 -0.15 0.82 0.00 0.00 0.00 179.25 180.40 1u2y h ILE 210 N 1.32 1.31 -0.17 0.00 2.04 -0.90 -3.02 117.51 118.09 1u2y h ILE 210 Ca 0.35 -1.26 -0.02 0.00 1.00 0.00 0.00 64.86 64.93 1u2y h ILE 210 Cb -0.13 1.65 -0.01 0.00 -0.74 0.00 0.00 36.82 37.59 1u2y h ILE 210 CO -0.07 0.39 0.01 -0.07 0.00 0.00 0.00 178.15 178.41 1u2y h LEU 211 N 0.20 0.22 -0.16 1.44 3.38 -0.62 -1.11 115.31 118.66 1u2y h LEU 211 Ca 0.04 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1u2y h LEU 211 Cb 0.67 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.37 1u2y h LEU 211 CO 0.04 0.25 0.00 0.47 0.09 0.00 0.00 178.44 179.30 1u2y n ASP 212 N -4.41 0.12 -0.46 -0.43 8.00 -0.23 -1.97 116.55 117.17 1u2y n ASP 212 Ca -0.00 0.53 0.12 0.00 0.71 0.00 0.00 54.79 56.15 1u2y n ASP 212 Cb 0.16 -0.56 0.10 0.00 -0.02 0.00 0.00 41.12 40.80 1u2y n ASP 212 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1u2y n LYS 213 N -1.64 1.20 -2.86 -1.24 5.02 -0.42 -4.98 118.16 113.24 1u2y n LYS 213 Ca 0.03 -0.93 -0.36 0.00 -2.02 0.00 0.00 58.31 55.02 1u2y n LYS 213 Cb 0.15 -1.48 -0.06 0.00 -0.02 0.00 0.00 35.03 33.61 1u2y n LYS 213 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1u2y s LEU 214 N -2.45 4.25 0.85 -0.35 1.02 -0.83 -4.98 118.68 116.19 1u2y s LEU 214 Ca 0.21 1.70 -0.12 0.00 0.02 0.00 0.00 54.13 55.94 1u2y s LEU 214 Cb 0.19 -4.04 0.13 0.00 0.02 0.00 0.00 46.19 42.48 1u2y s LEU 214 CO 0.54 -0.11 1.20 -1.00 0.02 0.00 0.00 176.35 177.00 1u2y s HIS 215 N -1.73 2.27 0.63 0.29 3.76 -1.26 -5.08 115.29 114.17 1u2y s HIS 215 Ca 0.51 0.44 -0.08 0.00 -0.15 0.00 0.00 55.06 55.78 1u2y s HIS 215 Cb -0.16 -3.67 0.01 0.00 1.11 0.00 0.00 32.58 29.86 1u2y s HIS 215 CO 0.21 -2.08 0.97 -0.80 -0.85 0.00 0.00 174.74 172.19 1u2y s ASN 216 N -4.71 5.61 0.74 1.40 0.02 -1.26 -4.63 114.94 112.11 1u2y s ASN 216 Ca 0.67 0.92 -0.14 0.00 -1.02 0.00 0.00 52.86 53.29 1u2y s ASN 216 Cb -0.07 -1.86 0.04 0.00 0.02 0.00 0.00 41.25 39.38 1u2y s ASN 216 CO 0.50 -1.13 1.17 -0.76 0.02 0.00 0.00 177.10 176.90 1u2y s LEU 217 N -5.12 3.26 -0.25 0.60 1.43 0.00 -4.87 118.68 113.73 1u2y s LEU 217 Ca 0.55 2.24 -0.36 0.00 -1.03 0.00 0.00 54.13 55.53 1u2y s LEU 217 Cb -0.11 -4.58 -0.12 0.00 0.03 0.00 0.00 46.19 41.42 1u2y s LEU 217 CO 0.48 -2.22 2.01 -3.20 0.23 0.00 0.00 176.35 173.65 1u2y n ASN 218 N -2.87 2.64 0.00 2.29 4.05 -1.26 -4.80 115.26 115.31 1u2y n ASN 218 Ca 0.12 0.70 0.05 0.00 0.45 0.00 0.00 54.58 55.90 1u2y n ASN 218 Cb 0.51 -1.29 0.24 0.00 1.23 0.00 0.00 39.78 40.47 1u2y n ASN 218 CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 177.26 172.67 1u2y n SER 219 N 8.13 0.00 0.18 1.20 3.41 -1.26 -0.83 113.62 124.46 1u2y n SER 219 Ca 0.32 0.08 0.07 0.00 -0.26 0.00 0.00 58.87 59.08 1u2y n SER 219 Cb 0.24 -0.24 0.10 0.00 -0.26 0.00 0.00 64.21 64.05 1u2y n SER 219 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 175.04 175.66 1u2y h ASN 220 N 0.00 0.00 0.00 4.04 2.35 -1.99 -3.37 115.58 116.60 1u2y h ASN 220 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1u2y h ASN 220 Cb 0.07 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.44 1u2y h ASN 220 CO 0.00 0.28 -0.95 0.79 -1.65 0.00 0.00 177.43 175.90 1u2y n TRP 221 N -3.17 0.00 -4.38 1.19 8.01 -0.69 -5.07 117.44 113.33 1u2y n TRP 221 Ca 0.03 0.00 -0.28 0.00 -1.31 0.00 0.00 57.50 55.94 1u2y n TRP 221 Cb 0.64 0.00 -0.12 0.00 -2.01 0.00 0.00 31.31 29.82 1u2y n TRP 221 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.69 176.62 1u2y s PHE 222 N -1.93 2.38 0.65 -5.99 0.40 -0.01 -5.08 117.98 108.40 1u2y s PHE 222 Ca 0.00 -0.34 -0.17 0.00 -0.60 0.00 0.00 56.93 55.83 1u2y s PHE 222 Cb 0.00 -1.23 -0.01 0.00 0.51 0.00 0.00 43.02 42.30 1u2y s PHE 222 CO 0.00 0.43 1.17 -1.25 0.70 0.00 0.00 175.22 176.27 1u2y s PRO 223 N -2.40 2.71 0.37 0.24 0.04 -1.26 -4.19 135.00 130.51 1u2y s PRO 223 Ca 0.18 1.66 -0.27 0.00 0.04 0.00 0.00 61.00 62.61 1u2y s PRO 223 Cb -0.09 -1.91 -0.11 0.00 0.04 0.00 0.00 34.50 32.42 1u2y s PRO 223 CO 0.09 -1.37 1.27 0.00 0.04 0.00 0.00 177.00 177.03 1u2y n ALA 224 N -2.14 1.25 -0.61 8.56 0.00 -1.26 -2.49 120.51 123.81 1u2y n ALA 224 Ca 0.12 0.33 0.00 0.00 0.00 0.00 0.00 53.44 53.89 1u2y n ALA 224 Cb 0.51 -2.25 0.00 0.00 0.00 0.00 0.00 19.45 17.71 1u2y n ALA 224 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1u2y n GLY 225 N 0.80 0.78 3.72 0.00 0.00 -1.26 -5.03 105.19 104.20 1u2y n GLY 225 Ca 0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.66 1u2y n GLY 225 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1u2y s SER 226 N -2.79 6.94 0.01 1.61 0.01 -1.04 -4.95 113.70 113.48 1u2y s SER 226 Ca 0.00 2.25 0.01 0.00 1.31 0.00 0.00 55.95 59.52 1u2y s SER 226 Cb 0.00 -2.59 -0.04 0.00 0.21 0.00 0.00 66.02 63.60 1u2y s SER 226 CO 0.00 -0.55 0.04 -0.54 0.41 0.00 0.00 173.24 172.60 1u2y s LYS 227 N 0.68 2.88 0.45 12.44 1.02 -1.26 -0.82 119.74 135.14 1u2y s LYS 227 Ca 0.60 -0.59 -0.25 0.00 0.02 0.00 0.00 55.97 55.75 1u2y s LYS 227 Cb -0.34 -2.74 -0.08 0.00 -0.52 0.00 0.00 37.83 34.15 1u2y s LYS 227 CO 0.32 0.62 1.41 -1.25 -0.92 0.00 0.00 175.35 175.53 1u2y s PRO 228 N -1.75 3.69 -0.00 -1.68 0.04 -1.26 -4.89 135.00 129.14 1u2y s PRO 228 Ca 0.22 2.37 -0.30 0.00 0.04 0.00 0.00 61.00 63.33 1u2y s PRO 228 Cb -0.12 -2.64 -0.05 0.00 0.04 0.00 0.00 34.50 31.73 1u2y s PRO 228 CO 0.13 -0.80 1.24 0.12 0.04 0.00 0.00 177.00 177.73 1u2y s PHE 229 N -1.22 3.23 -0.15 0.56 5.36 -0.35 -4.83 117.98 120.59 1u2y s PHE 229 Ca 0.61 1.18 0.02 0.00 -0.96 0.00 0.00 56.93 57.78 1u2y s PHE 229 Cb -0.43 -3.46 0.01 0.00 -0.34 0.00 0.00 43.02 38.80 1u2y s PHE 229 CO 0.55 -1.50 -0.20 0.42 -1.46 0.00 0.00 175.22 173.03 1u2y s ILE 230 N 1.80 1.94 -0.10 3.12 -1.09 -1.26 -0.04 121.20 125.57 1u2y s ILE 230 Ca 0.58 -0.89 0.01 0.00 -2.23 0.00 0.00 60.65 58.12 1u2y s ILE 230 Cb -0.28 -1.74 0.02 0.00 -1.58 0.00 0.00 42.46 38.88 1u2y s ILE 230 CO 0.26 0.52 -0.09 -0.72 -1.23 0.00 0.00 174.94 173.68 1u2y s TYR 231 N 1.02 1.49 -0.15 3.97 1.13 -0.81 -0.74 117.35 123.26 1u2y s TYR 231 Ca -0.03 -0.68 -0.13 0.00 -1.41 0.00 0.00 57.07 54.83 1u2y s TYR 231 Cb -0.15 -1.18 -0.05 0.00 -1.10 0.00 0.00 41.96 39.49 1u2y s TYR 231 CO -0.05 -0.43 0.27 -0.65 -2.51 0.00 0.00 175.55 172.18 1u2y s GLN 232 N 1.31 4.15 -0.63 -3.49 -0.21 -0.10 -0.99 119.66 119.71 1u2y s GLN 232 Ca -0.02 0.07 -0.27 0.00 0.02 0.00 0.00 55.36 55.15 1u2y s GLN 232 Cb -0.14 -3.39 0.03 0.00 1.00 0.00 0.00 33.01 30.52 1u2y s GLN 232 CO -0.04 0.33 1.19 -2.00 -2.12 0.00 0.00 175.29 172.64 1u2y s GLU 233 N 0.21 3.38 -0.14 2.91 2.12 -0.35 -1.71 118.70 125.12 1u2y s GLU 233 Ca 0.16 0.01 -0.00 0.00 0.36 0.00 0.00 54.97 55.49 1u2y s GLU 233 Cb -0.13 -4.08 0.03 0.00 0.26 0.00 0.00 34.13 30.21 1u2y s GLU 233 CO 0.04 -1.81 -0.07 0.08 -0.54 0.00 0.00 175.26 172.96 1u2y s VAL 234 N 5.06 1.12 -0.51 3.70 1.01 -1.26 -1.36 120.40 128.15 1u2y s VAL 234 Ca 0.38 -0.46 -0.21 0.00 0.00 0.00 0.00 61.98 61.70 1u2y s VAL 234 Cb -0.08 -1.19 0.05 0.00 0.00 0.00 0.00 36.38 35.16 1u2y s VAL 234 CO 0.21 0.29 0.71 -0.63 0.00 0.00 0.00 175.10 175.68 1u2y s ILE 235 N 1.65 4.74 -0.32 2.22 1.01 -1.26 -4.58 121.20 124.66 1u2y s ILE 235 Ca 0.03 -0.22 0.00 0.00 0.00 0.00 0.00 60.65 60.46 1u2y s ILE 235 Cb -0.14 -4.36 0.10 0.00 0.01 0.00 0.00 42.46 38.08 1u2y s ILE 235 CO -0.08 -0.87 0.10 -0.62 0.00 0.00 0.00 174.94 173.46 1u2y s ASP 236 N 2.67 4.14 -0.14 3.58 2.15 -1.26 -4.93 116.67 122.88 1u2y s ASP 236 Ca 0.20 -1.78 0.15 0.00 0.43 0.00 0.00 52.55 51.56 1u2y s ASP 236 Cb -0.17 -1.00 0.57 0.00 -0.30 0.00 0.00 42.92 42.02 1u2y s ASP 236 CO 0.15 -0.40 1.49 0.18 -0.17 0.00 0.00 175.17 176.41 1u2y n LEU 237 N 4.68 4.18 0.00 -1.34 4.77 -1.26 -4.60 117.00 123.44 1u2y n LEU 237 Ca -0.00 -2.69 0.00 0.00 -0.03 0.00 0.00 56.01 53.28 1u2y n LEU 237 Cb 0.42 -0.51 0.00 0.00 -2.33 0.00 0.00 43.42 40.99 1u2y n LEU 237 CO 0.14 0.71 0.00 0.61 -1.33 0.00 0.00 177.39 177.52 1u2y n GLY 238 N 0.20 -1.69 2.12 -0.72 0.00 -1.26 -4.97 105.19 98.87 1u2y n GLY 238 Ca 0.21 -1.54 0.00 0.00 0.00 0.00 0.00 46.02 44.69 1u2y n GLY 238 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1u2y n GLY 239 N -1.72 0.73 3.35 -0.02 0.00 -1.26 -5.04 105.19 101.24 1u2y n GLY 239 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.81 1u2y n GLY 239 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1u2y s GLU 240 N -0.14 1.34 0.49 1.61 2.02 -1.26 -5.02 118.70 117.74 1u2y s GLU 240 Ca 0.00 -1.50 0.24 0.00 0.02 0.00 0.00 54.97 53.74 1u2y s GLU 240 Cb 0.00 -1.34 1.24 0.00 0.10 0.00 0.00 34.13 34.13 1u2y s GLU 240 CO 0.00 0.26 1.99 -1.00 0.02 0.00 0.00 175.26 176.53 1u2y h PRO 241 N 2.97 0.00 -6.05 0.39 0.13 -1.85 -3.42 132.00 124.17 1u2y h PRO 241 Ca -0.41 0.00 -0.56 0.00 -0.87 0.00 0.00 66.00 64.16 1u2y h PRO 241 Cb 1.22 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.29 1u2y h PRO 241 CO 0.55 0.17 0.03 0.42 -0.23 0.00 0.00 178.00 178.94 1u2y s ILE 242 N -4.10 4.97 -0.00 -3.56 1.01 -1.26 -5.02 121.20 113.22 1u2y s ILE 242 Ca -0.02 1.33 0.07 0.00 0.00 0.00 0.00 60.65 62.03 1u2y s ILE 242 Cb 0.13 -3.98 -0.03 0.00 0.01 0.00 0.00 42.46 38.60 1u2y s ILE 242 CO 0.62 0.34 -0.22 -0.54 0.00 0.00 0.00 174.94 175.14 1u2y s LYS 243 N 0.26 2.13 0.58 2.79 1.02 -1.26 -4.95 119.74 120.30 1u2y s LYS 243 Ca 0.34 -0.92 0.35 0.00 0.02 0.00 0.00 55.97 55.75 1u2y s LYS 243 Cb -0.18 -2.13 1.76 0.00 -0.52 0.00 0.00 37.83 36.77 1u2y s LYS 243 CO 0.17 0.56 2.15 0.66 -0.92 0.00 0.00 175.35 177.98 1u2y h SER 244 N 5.15 0.00 0.49 2.83 4.64 -1.93 -2.10 113.55 122.63 1u2y h SER 244 Ca -0.45 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 60.84 1u2y h SER 244 Cb 1.14 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.22 1u2y h SER 244 CO 0.47 0.04 -0.11 0.77 -0.87 0.00 0.00 176.83 177.13 1u2y h SER 245 N 0.00 0.00 0.44 4.97 4.64 -2.02 -1.99 113.55 119.59 1u2y h SER 245 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1u2y h SER 245 Cb 0.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.36 1u2y h SER 245 CO 0.01 0.11 0.00 0.44 -0.87 0.00 0.00 176.83 176.52 1u2y h ASP 246 N 0.00 0.00 -0.18 4.97 3.32 -1.80 -2.64 116.42 120.09 1u2y h ASP 246 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1u2y h ASP 246 Cb 0.39 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.94 1u2y h ASP 246 CO 0.01 0.00 0.00 -1.22 -1.72 0.00 0.00 179.24 176.31 1u2y n TYR 247 N -2.44 0.21 0.27 4.55 4.02 -0.75 -4.59 117.16 118.44 1u2y n TYR 247 Ca 0.00 -0.13 0.14 0.00 -0.01 0.00 0.00 57.90 57.91 1u2y n TYR 247 Cb 0.15 -0.00 0.85 0.00 -0.02 0.00 0.00 39.34 40.32 1u2y n TYR 247 CO 0.00 0.00 0.00 0.74 -1.01 0.00 0.00 176.86 176.59 1u2y h PHE 248 N 3.79 0.00 0.00 -0.72 0.04 -1.57 -1.92 116.94 116.56 1u2y h PHE 248 Ca 0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 1u2y h PHE 248 Cb 0.84 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.99 1u2y h PHE 248 CO 0.11 0.00 0.00 0.41 -0.60 0.00 0.00 178.31 178.23 1u2y n GLY 249 N -1.38 -1.28 0.03 -1.45 0.00 -1.26 -3.24 105.19 96.61 1u2y n GLY 249 Ca -0.02 0.06 0.07 0.00 0.00 0.00 0.00 46.02 46.13 1u2y n GLY 249 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1u2y n ASN 250 N -2.16 0.05 0.00 1.61 3.02 -0.72 -5.07 115.26 111.99 1u2y n ASN 250 Ca 0.03 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.58 1u2y n ASN 250 Cb 0.24 1.81 0.00 0.00 -0.61 0.00 0.00 39.78 41.22 1u2y n ASN 250 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1u2y n GLY 251 N 1.36 -0.07 3.81 7.41 0.00 -1.20 -4.79 105.19 111.72 1u2y n GLY 251 Ca -0.09 -1.33 -0.29 0.00 0.00 0.00 0.00 46.02 44.31 1u2y n GLY 251 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1u2y s ARG 252 N -2.00 1.06 0.04 1.61 0.52 0.08 -4.40 118.95 115.86 1u2y s ARG 252 Ca 0.00 0.14 0.02 0.00 -0.52 0.00 0.00 55.73 55.37 1u2y s ARG 252 Cb 0.00 -1.84 -0.02 0.00 0.52 0.00 0.00 34.95 33.60 1u2y s ARG 252 CO 0.00 -2.22 -0.07 0.14 0.02 0.00 0.00 175.30 173.17 1u2y s VAL 253 N -3.40 0.49 0.06 3.52 -7.23 0.35 -0.92 120.40 113.28 1u2y s VAL 253 Ca 0.65 -1.09 -0.31 0.00 -1.81 0.00 0.00 61.98 59.42 1u2y s VAL 253 Cb -0.12 -0.61 -0.06 0.00 0.56 0.00 0.00 36.38 36.15 1u2y s VAL 253 CO 0.53 -0.42 1.26 0.42 -0.31 0.00 0.00 175.10 176.58 1u2y s THR 254 N -1.49 3.85 -0.77 5.32 -4.23 -0.70 -1.63 115.64 115.99 1u2y s THR 254 Ca -0.10 1.31 -0.14 0.00 -1.18 0.00 0.00 61.69 61.59 1u2y s THR 254 Cb -0.09 -3.84 0.20 0.00 1.34 0.00 0.00 72.50 70.11 1u2y s THR 254 CO -0.00 0.09 0.71 -0.70 -0.54 0.00 0.00 174.62 174.18 1u2y s GLU 255 N 1.22 3.45 0.33 3.99 2.56 -0.88 -4.55 118.70 124.83 1u2y s GLU 255 Ca 0.60 -2.36 0.26 0.00 0.00 0.00 0.00 54.97 53.47 1u2y s GLU 255 Cb -0.31 -4.36 1.03 0.00 2.00 0.00 0.00 34.13 32.48 1u2y s GLU 255 CO 0.29 -1.29 1.78 0.74 -0.56 0.00 0.00 175.26 176.22 1u2y h PHE 256 N 7.88 0.00 0.00 5.30 -1.00 -1.86 -2.72 116.94 124.55 1u2y h PHE 256 Ca 0.04 0.00 -0.07 0.00 2.81 0.00 0.00 57.97 60.76 1u2y h PHE 256 Cb 1.04 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.59 1u2y h PHE 256 CO 0.97 0.00 -0.31 0.87 -1.61 0.00 0.00 178.31 178.23 1u2y h LYS 257 N 0.00 0.00 0.51 1.51 1.57 -1.90 -3.07 116.57 115.19 1u2y h LYS 257 Ca 0.00 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.76 1u2y h LYS 257 Cb 0.47 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.77 1u2y h LYS 257 CO 0.00 0.31 -0.40 -0.92 -0.57 0.00 0.00 179.45 177.88 1u2y h TYR 258 N 0.00 -1.08 -0.39 -1.35 5.03 -1.82 -1.24 116.97 116.12 1u2y h TYR 258 Ca -0.00 -0.00 -0.08 0.00 2.58 0.00 0.00 58.73 61.22 1u2y h TYR 258 Cb 0.71 0.40 -0.02 0.00 1.55 0.00 0.00 36.73 39.37 1u2y h TYR 258 CO 0.00 -0.56 -0.11 0.78 -1.32 0.00 0.00 178.16 176.96 1u2y h GLY 259 N -0.88 0.73 0.92 1.82 0.00 -1.62 -1.30 103.07 102.75 1u2y h GLY 259 Ca -0.07 -0.53 -0.00 0.00 0.00 0.00 0.00 47.33 46.73 1u2y h GLY 259 CO 0.01 0.49 0.08 0.00 0.00 0.00 0.00 176.54 177.12 1u2y h ALA 260 N 1.27 0.20 -0.15 3.60 0.00 -1.49 -1.05 119.26 121.63 1u2y h ALA 260 Ca 0.11 -0.07 -0.19 0.00 0.00 0.00 0.00 54.91 54.76 1u2y h ALA 260 Cb 0.54 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.27 1u2y h ALA 260 CO 0.03 -0.26 -0.67 0.87 0.00 0.00 0.00 179.25 179.22 1u2y h LYS 261 N 0.13 0.61 -0.50 0.00 1.79 -1.17 -2.71 116.57 114.73 1u2y h LYS 261 Ca 0.05 -0.45 -0.06 0.00 -2.18 0.00 0.00 60.65 58.01 1u2y h LYS 261 Cb 0.09 0.08 -0.02 0.00 -1.58 0.00 0.00 32.23 30.80 1u2y h LYS 261 CO -0.01 1.07 0.04 1.25 -1.08 0.00 0.00 179.45 180.73 1u2y h LEU 262 N 0.44 0.76 -0.45 2.94 5.85 -1.18 -1.67 115.31 121.99 1u2y h LEU 262 Ca -0.02 -0.17 -0.05 0.00 0.84 0.00 0.00 57.88 58.48 1u2y h LEU 262 Cb 1.26 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 42.07 1u2y h LEU 262 CO 0.13 0.80 0.08 1.23 -0.34 0.00 0.00 178.44 180.34 1u2y h GLY 263 N 0.97 0.81 1.52 3.75 0.00 -1.12 -1.26 103.07 107.73 1u2y h GLY 263 Ca 0.15 -0.54 -0.11 0.00 0.00 0.00 0.00 47.33 46.84 1u2y h GLY 263 CO 0.01 0.50 -0.29 -0.91 0.00 0.00 0.00 176.54 175.85 1u2y h THR 264 N 0.62 1.28 -0.11 4.70 1.35 -1.21 -1.36 112.91 118.17 1u2y h THR 264 Ca 0.14 -1.37 -0.03 0.00 -0.55 0.00 0.00 66.41 64.60 1u2y h THR 264 Cb 0.38 1.38 -0.00 0.00 -1.73 0.00 0.00 68.15 68.18 1u2y h THR 264 CO 0.01 0.44 -0.05 0.58 -0.25 0.00 0.00 175.52 176.25 1u2y h VAL 265 N 0.48 1.31 -0.04 6.82 2.07 -1.17 0.12 116.25 125.84 1u2y h VAL 265 Ca 0.06 -1.06 -0.10 0.00 0.82 0.00 0.00 66.70 66.43 1u2y h VAL 265 Cb 0.74 1.78 -0.01 0.00 -1.52 0.00 0.00 31.29 32.28 1u2y h VAL 265 CO 0.06 0.30 -0.43 0.40 0.02 0.00 0.00 177.57 177.93 1u2y h ILE 266 N -0.11 1.31 0.00 4.57 2.04 -1.20 -1.30 117.51 122.82 1u2y h ILE 266 Ca 0.03 -1.50 0.00 0.00 1.00 0.00 0.00 64.86 64.39 1u2y h ILE 266 Cb 0.50 1.76 0.00 0.00 -0.74 0.00 0.00 36.82 38.34 1u2y h ILE 266 CO 0.02 0.44 -0.03 0.54 0.00 0.00 0.00 178.15 179.11 1u2y n ARG 267 N -4.02 0.10 -3.33 2.37 1.74 -0.52 -4.92 116.66 108.09 1u2y n ARG 267 Ca -0.02 0.08 -0.19 0.00 -0.77 0.00 0.00 57.85 56.95 1u2y n ARG 267 Cb 0.47 -1.62 0.06 0.00 -1.02 0.00 0.00 32.46 30.35 1u2y n ARG 267 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1u2y n LYS 268 N -1.80 -6.15 -2.64 5.56 5.02 -0.45 -4.98 118.16 112.72 1u2y n LYS 268 Ca 0.06 0.67 -0.39 0.00 -2.02 0.00 0.00 58.31 56.64 1u2y n LYS 268 Cb 0.38 -5.22 -0.05 0.00 -0.02 0.00 0.00 35.03 30.12 1u2y n LYS 268 CO 0.00 0.00 0.00 -1.58 -0.52 0.00 0.00 177.40 175.30 1u2y s TRP 269 N -3.23 3.68 -1.34 2.13 0.52 0.30 -4.20 118.94 116.79 1u2y s TRP 269 Ca 0.45 1.78 -0.18 0.00 0.02 0.00 0.00 56.10 58.16 1u2y s TRP 269 Cb -0.20 -3.08 0.03 0.00 -1.15 0.00 0.00 33.47 29.07 1u2y s TRP 269 CO 0.55 -0.08 0.35 0.27 0.02 0.00 0.00 176.95 178.06 1u2y n ASN 270 N 0.92 -1.65 0.00 2.95 0.23 -1.26 -1.88 115.26 114.57 1u2y n ASN 270 Ca 0.00 -1.27 0.00 0.00 -0.53 0.00 0.00 54.58 52.78 1u2y n ASN 270 Cb 0.47 -1.55 0.00 0.00 -2.08 0.00 0.00 39.78 36.63 1u2y n ASN 270 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1u2y n GLY 271 N -2.31 1.32 3.77 4.83 0.00 -1.26 -5.02 105.19 106.52 1u2y n GLY 271 Ca -0.21 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.45 1u2y n GLY 271 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1u2y s GLU 272 N -0.07 3.41 0.00 1.61 0.41 -0.79 -5.04 118.70 118.22 1u2y s GLU 272 Ca 0.00 1.79 -0.09 0.00 -0.41 0.00 0.00 54.97 56.26 1u2y s GLU 272 Cb 0.00 -2.17 0.01 0.00 -1.78 0.00 0.00 34.13 30.18 1u2y s GLU 272 CO 0.00 -0.85 0.18 -1.59 -0.49 0.00 0.00 175.26 172.51 1u2y s LYS 273 N -3.02 0.55 0.59 1.61 -2.85 -1.26 -4.56 119.74 110.79 1u2y s LYS 273 Ca 0.70 -0.39 0.29 0.00 -1.00 0.00 0.00 55.97 55.57 1u2y s LYS 273 Cb -0.29 0.23 1.72 0.00 -2.06 0.00 0.00 37.83 37.43 1u2y s LYS 273 CO 0.33 -0.14 2.18 0.52 0.10 0.00 0.00 175.35 178.34 1u2y h MET 274 N 4.08 0.00 0.00 1.78 2.86 -1.79 -1.45 114.93 120.42 1u2y h MET 274 Ca -0.31 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.32 1u2y h MET 274 Cb 1.19 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.85 1u2y h MET 274 CO 0.41 0.00 -0.04 0.66 1.06 0.00 0.00 176.91 179.00 1u2y h SER 275 N 0.00 0.00 0.87 1.22 4.64 -1.75 -1.14 113.55 117.38 1u2y h SER 275 Ca 0.04 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 1u2y h SER 275 Cb 0.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.32 1u2y h SER 275 CO -0.00 0.04 0.00 -1.22 -0.87 0.00 0.00 176.83 174.78 1u2y n TYR 276 N -3.59 0.68 1.68 4.77 4.01 -0.54 -3.17 117.16 121.01 1u2y n TYR 276 Ca -0.02 0.25 0.07 0.00 -0.16 0.00 0.00 57.90 58.03 1u2y n TYR 276 Cb 0.14 -0.90 0.42 0.00 -0.31 0.00 0.00 39.34 38.69 1u2y n TYR 276 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 1u2y n LEU 277 N -2.10 0.00 -0.33 7.72 4.77 -0.43 -3.93 117.00 122.70 1u2y n LEU 277 Ca 0.03 0.00 0.08 0.00 -0.03 0.00 0.00 56.01 56.09 1u2y n LEU 277 Cb 0.27 0.00 0.28 0.00 -2.33 0.00 0.00 43.42 41.64 1u2y n LEU 277 CO 0.21 0.00 1.23 0.50 -1.33 0.00 0.00 177.39 178.01 1u2y h LYS 278 N 0.00 0.89 -0.58 3.23 3.64 -1.75 -1.80 116.57 120.20 1u2y h LYS 278 Ca 0.00 -0.05 -0.31 0.00 -1.27 0.00 0.00 60.65 59.02 1u2y h LYS 278 Cb 0.00 -0.20 -0.18 0.00 -0.41 0.00 0.00 32.23 31.44 1u2y h LYS 278 CO 0.00 0.59 0.14 0.27 -2.27 0.00 0.00 179.45 178.18 1u2y n ASN 279 N -4.59 3.08 -4.63 4.20 6.94 -1.25 -5.04 115.26 113.98 1u2y n ASN 279 Ca 0.18 -3.75 -0.43 0.00 -0.02 0.00 0.00 54.58 50.56 1u2y n ASN 279 Cb 0.37 -0.70 -0.00 0.00 -2.36 0.00 0.00 39.78 37.08 1u2y n ASN 279 CO 0.00 0.00 0.00 1.87 -1.03 0.00 0.00 177.26 178.10 1u2y n TRP 280 N -1.12 1.55 0.00 -2.53 -0.00 -0.68 -3.70 117.44 110.97 1u2y n TRP 280 Ca 0.43 0.61 0.00 0.00 -0.00 0.00 0.00 57.50 58.54 1u2y n TRP 280 Cb 1.21 -2.29 0.00 0.00 -0.00 0.00 0.00 31.31 30.23 1u2y n TRP 280 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 1u2y n GLY 281 N 1.07 0.09 0.37 5.87 0.00 -1.26 -4.63 105.19 106.69 1u2y n GLY 281 Ca 0.08 -1.87 0.19 0.00 0.00 0.00 0.00 46.02 44.42 1u2y n GLY 281 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1u2y h GLU 282 N 0.00 0.00 0.00 1.61 3.07 -1.82 0.21 114.58 117.65 1u2y h GLU 282 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1u2y h GLU 282 Cb 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.91 1u2y h GLU 282 CO 0.00 0.00 0.05 0.78 -1.40 0.00 0.00 179.01 178.44 1u2y h GLY 283 N 0.00 0.00 -2.19 -3.84 0.00 -1.82 0.31 103.07 95.53 1u2y h GLY 283 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.54 1u2y h GLY 283 CO -0.00 0.00 0.00 0.79 0.00 0.00 0.00 176.54 177.33 1u2y n TRP 284 N -2.30 1.07 -1.25 5.60 7.02 0.74 -4.93 117.44 123.39 1u2y n TRP 284 Ca -0.01 -0.65 0.00 0.00 -1.02 0.00 0.00 57.50 55.81 1u2y n TRP 284 Cb 0.08 -0.21 0.00 0.00 -2.42 0.00 0.00 31.31 28.76 1u2y n TRP 284 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1u2y n GLY 285 N 0.51 0.42 3.92 6.99 0.00 0.11 -5.01 105.19 112.13 1u2y n GLY 285 Ca 0.21 -0.99 -0.26 0.00 0.00 0.00 0.00 46.02 44.98 1u2y n GLY 285 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1u2y s PHE 286 N -2.00 3.24 0.92 1.61 0.08 -1.23 -5.02 117.98 115.58 1u2y s PHE 286 Ca 0.00 0.59 -0.11 0.00 0.12 0.00 0.00 56.93 57.53 1u2y s PHE 286 Cb 0.00 -2.71 0.14 0.00 -0.57 0.00 0.00 43.02 39.88 1u2y s PHE 286 CO 0.00 -0.80 1.09 0.14 -0.10 0.00 0.00 175.22 175.55 1u2y s VAL 287 N -2.96 2.56 0.42 -0.44 -7.23 -1.26 -4.49 120.40 107.00 1u2y s VAL 287 Ca 0.54 0.18 -0.25 0.00 -1.81 0.00 0.00 61.98 60.64 1u2y s VAL 287 Cb -0.10 -2.59 -0.10 0.00 0.56 0.00 0.00 36.38 34.15 1u2y s VAL 287 CO 0.44 -0.24 1.23 -2.65 -0.31 0.00 0.00 175.10 173.57 1u2y n PRO 288 N -4.00 1.82 -0.29 4.82 -0.02 -1.26 -4.63 135.00 131.43 1u2y n PRO 288 Ca 0.07 0.65 0.06 0.00 -2.02 0.00 0.00 63.50 62.26 1u2y n PRO 288 Cb 0.55 -2.32 0.22 0.00 -0.02 0.00 0.00 33.50 31.92 1u2y n PRO 288 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1u2y h SER 289 N 1.98 0.55 0.00 2.55 0.87 -1.95 -0.81 113.55 116.74 1u2y h SER 289 Ca -0.47 0.09 0.00 0.00 -1.23 0.00 0.00 61.79 60.17 1u2y h SER 289 Cb 1.30 -0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.26 1u2y h SER 289 CO 0.59 0.24 0.00 -0.90 -0.53 0.00 0.00 176.83 176.24 1u2y n ASP 290 N -4.85 0.00 0.00 6.23 5.75 -1.26 -2.12 116.55 120.30 1u2y n ASP 290 Ca 0.16 -0.89 0.00 0.00 -0.01 0.00 0.00 54.79 54.05 1u2y n ASP 290 Cb 0.41 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.50 1u2y n ASP 290 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1u2y n ARG 291 N -0.85 2.21 -4.60 0.11 5.12 -0.33 -4.88 116.66 113.43 1u2y n ARG 291 Ca 0.12 -1.26 -0.34 0.00 -1.93 0.00 0.00 57.85 54.44 1u2y n ARG 291 Cb 0.05 -0.92 -0.11 0.00 -1.16 0.00 0.00 32.46 30.32 1u2y n ARG 291 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1u2y s ALA 292 N -0.76 3.01 -0.24 7.54 0.00 -0.90 -0.50 121.76 129.91 1u2y s ALA 292 Ca 0.00 -0.89 -0.00 0.00 0.00 0.00 0.00 51.96 51.07 1u2y s ALA 292 Cb 0.00 -1.25 0.03 0.00 0.00 0.00 0.00 23.12 21.90 1u2y s ALA 292 CO 0.00 0.58 -0.09 -1.17 0.00 0.00 0.00 175.76 175.07 1u2y s LEU 293 N -0.84 3.09 0.29 0.00 1.98 -0.65 -1.86 118.68 120.69 1u2y s LEU 293 Ca 0.13 -0.96 0.08 0.00 -2.89 0.00 0.00 54.13 50.48 1u2y s LEU 293 Cb -0.11 -1.61 -0.04 0.00 0.66 0.00 0.00 46.19 45.09 1u2y s LEU 293 CO 0.02 -0.12 0.15 0.68 -1.89 0.00 0.00 176.35 175.18 1u2y s VAL 294 N 1.27 3.72 -0.11 1.68 -7.23 0.14 -2.07 120.40 117.80 1u2y s VAL 294 Ca -0.01 -1.60 -0.32 0.00 -1.81 0.00 0.00 61.98 58.24 1u2y s VAL 294 Cb -0.17 -3.12 0.12 0.00 0.56 0.00 0.00 36.38 33.77 1u2y s VAL 294 CO -0.06 -0.29 1.05 0.72 -0.31 0.00 0.00 175.10 176.21 1u2y s PHE 295 N -2.28 -0.25 -0.15 2.82 -0.71 -1.26 -1.25 117.98 114.91 1u2y s PHE 295 Ca 0.35 0.20 -0.26 0.00 -1.04 0.00 0.00 56.93 56.17 1u2y s PHE 295 Cb -0.06 0.52 -0.25 0.00 -1.21 0.00 0.00 43.02 42.02 1u2y s PHE 295 CO 0.23 -0.36 0.64 0.28 -1.34 0.00 0.00 175.22 174.67 1u2y h VAL 296 N 2.07 1.55 -4.19 -2.49 2.07 -1.94 -3.26 116.25 110.06 1u2y h VAL 296 Ca -0.16 -2.32 -0.16 0.00 0.82 0.00 0.00 66.70 64.89 1u2y h VAL 296 Cb 1.20 3.09 -0.15 0.00 -1.52 0.00 0.00 31.29 33.91 1u2y h VAL 296 CO 0.27 0.55 -0.67 1.51 0.02 0.00 0.00 177.57 179.24 1u2y s ASP 297 N -6.43 0.59 0.35 0.57 -4.77 -1.26 -4.51 116.67 101.22 1u2y s ASP 297 Ca -0.21 -1.06 0.04 0.00 -3.30 0.00 0.00 52.55 48.02 1u2y s ASP 297 Cb -0.00 0.20 -0.04 0.00 -1.09 0.00 0.00 42.92 41.99 1u2y s ASP 297 CO 0.68 -0.60 0.13 0.54 0.70 0.00 0.00 175.17 176.61 1u2y s ASN 298 N -2.98 2.20 0.50 2.11 4.22 -1.26 -4.71 114.94 115.02 1u2y s ASN 298 Ca 0.12 -1.58 0.19 0.00 -2.14 0.00 0.00 52.86 49.45 1u2y s ASN 298 Cb 0.07 0.36 1.25 0.00 1.28 0.00 0.00 41.25 44.22 1u2y s ASN 298 CO -0.06 -0.86 2.05 1.12 -2.04 0.00 0.00 177.10 177.31 1u2y h HIS 299 N 2.02 0.11 0.11 1.54 2.07 -1.99 -2.44 115.15 116.57 1u2y h HIS 299 Ca -0.35 0.00 -0.01 0.00 -2.85 0.00 0.00 60.37 57.16 1u2y h HIS 299 Cb 1.26 -0.04 0.00 0.00 2.57 0.00 0.00 27.41 31.20 1u2y h HIS 299 CO 1.17 0.06 -0.05 -0.44 -3.07 0.00 0.00 177.93 175.59 1u2y h ASP 300 N 0.10 -0.13 0.57 3.10 3.32 -1.96 -3.38 116.42 118.05 1u2y h ASP 300 Ca 0.16 -0.29 0.00 0.00 0.02 0.00 0.00 57.03 56.92 1u2y h ASP 300 Cb 0.50 0.03 0.00 0.00 0.22 0.00 0.00 39.33 40.09 1u2y h ASP 300 CO -0.02 0.47 0.00 -0.46 -1.72 0.00 0.00 179.24 177.51 1u2y n ASN 301 N -4.85 0.00 0.04 6.45 0.23 -1.19 -0.41 115.26 115.54 1u2y n ASN 301 Ca -0.05 -0.03 0.12 0.00 -0.53 0.00 0.00 54.58 54.09 1u2y n ASN 301 Cb 0.20 -0.31 0.50 0.00 -2.08 0.00 0.00 39.78 38.09 1u2y n ASN 301 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1u2y n GLN 302 N -1.31 0.09 -0.49 -3.83 10.64 -0.92 -2.77 117.38 118.78 1u2y n GLN 302 Ca 0.12 0.14 0.07 0.00 -1.83 0.00 0.00 57.00 55.50 1u2y n GLN 302 Cb 0.23 -1.62 0.13 0.00 -0.86 0.00 0.00 30.24 28.12 1u2y n GLN 302 CO 0.00 0.00 0.00 2.89 -1.83 0.00 0.00 177.06 178.12 1u2y n ARG 303 N -1.79 1.07 -2.01 2.61 1.85 -1.11 -4.98 116.66 112.30 1u2y n ARG 303 Ca 0.06 -2.57 -0.16 0.00 -1.00 0.00 0.00 57.85 54.17 1u2y n ARG 303 Cb 0.33 -1.23 -0.03 0.00 -1.05 0.00 0.00 32.46 30.48 1u2y n ARG 303 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1u2y n GLY 304 N -0.90 0.38 0.53 2.89 0.00 -1.12 -4.89 105.19 102.08 1u2y n GLY 304 Ca 0.14 -0.23 0.08 0.00 0.00 0.00 0.00 46.02 46.01 1u2y n GLY 304 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1u2y n HIS 305 N -3.49 0.00 0.00 1.61 -0.00 0.46 -4.95 115.22 108.84 1u2y n HIS 305 Ca -0.18 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.54 1u2y n HIS 305 Cb 0.60 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.59 1u2y n HIS 305 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1u2y n GLY 306 N 1.09 1.43 3.04 -1.41 0.00 -1.22 -4.77 105.19 103.34 1u2y n GLY 306 Ca 0.08 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.96 1u2y n GLY 306 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u2y s ALA 307 N -2.20 0.55 0.00 4.61 0.00 -1.26 -4.84 121.76 118.62 1u2y s ALA 307 Ca 0.00 -0.61 0.00 0.00 0.00 0.00 0.00 51.96 51.35 1u2y s ALA 307 Cb 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 23.12 23.11 1u2y s ALA 307 CO 0.00 0.02 0.00 0.41 0.00 0.00 0.00 175.76 176.19 1u2y n GLY 308 N 1.90 2.02 7.00 0.00 0.00 -1.26 -4.81 105.19 110.03 1u2y n GLY 308 Ca -0.20 -0.37 0.00 0.00 0.00 0.00 0.00 46.02 45.45 1u2y n GLY 308 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1u2y n GLY 309 N 0.00 0.49 0.00 -0.02 0.00 -1.26 -3.65 105.19 100.75 1u2y n GLY 309 Ca 0.00 -0.85 0.09 0.00 0.00 0.00 0.00 46.02 45.26 1u2y n GLY 309 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u2y n ALA 310 N 5.79 1.90 0.15 4.61 0.00 -1.26 -3.21 120.51 128.49 1u2y n ALA 310 Ca 0.00 -0.07 0.04 0.00 0.00 0.00 0.00 53.44 53.41 1u2y n ALA 310 Cb 0.00 -1.31 0.10 0.00 0.00 0.00 0.00 19.45 18.23 1u2y n ALA 310 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1u2y h SER 311 N 0.00 0.00 -2.23 0.00 4.64 -1.91 -3.46 113.55 110.59 1u2y h SER 311 Ca 0.00 0.00 -0.60 0.00 -0.47 0.00 0.00 61.79 60.72 1u2y h SER 311 Cb 0.32 0.00 0.06 0.00 -0.31 0.00 0.00 62.40 62.47 1u2y h SER 311 CO 0.00 0.46 0.69 -0.38 -0.87 0.00 0.00 176.83 176.73 1u2y n ILE 312 N -3.27 0.19 -3.69 0.95 2.08 -1.20 -4.33 119.36 110.09 1u2y n ILE 312 Ca 0.02 -0.05 -0.37 0.00 0.56 0.00 0.00 62.75 62.91 1u2y n ILE 312 Cb 0.68 -1.38 -0.06 0.00 -0.75 0.00 0.00 39.64 38.14 1u2y n ILE 312 CO 0.00 0.00 0.00 -0.76 0.56 0.00 0.00 176.55 176.35 1u2y s LEU 313 N 0.69 4.42 0.33 1.39 1.43 -1.26 -5.05 118.68 120.62 1u2y s LEU 313 Ca 0.78 0.70 0.06 0.00 -1.03 0.00 0.00 54.13 54.64 1u2y s LEU 313 Cb -0.73 -2.45 -0.03 0.00 0.03 0.00 0.00 46.19 43.01 1u2y s LEU 313 CO 0.42 0.33 0.25 0.42 0.23 0.00 0.00 176.35 177.99 1u2y s THR 314 N -1.13 0.08 0.60 5.49 -4.23 -1.26 -4.37 115.64 110.82 1u2y s THR 314 Ca 0.22 -2.00 0.30 0.00 -1.18 0.00 0.00 61.69 59.03 1u2y s THR 314 Cb -0.14 -2.48 0.36 0.00 1.34 0.00 0.00 72.50 71.58 1u2y s THR 314 CO 0.11 0.00 2.07 2.19 -0.54 0.00 0.00 174.62 178.45 1u2y h PHE 315 N 2.13 0.00 -0.05 3.99 -0.00 -1.96 0.70 116.94 121.75 1u2y h PHE 315 Ca -0.27 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 57.70 1u2y h PHE 315 Cb 1.24 0.00 -0.00 0.00 -0.00 0.00 0.00 35.95 37.19 1u2y h PHE 315 CO 1.57 0.00 0.03 -1.49 -0.00 0.00 0.00 178.31 178.42 1u2y h TRP 316 N 0.00 0.07 -1.90 6.09 4.06 -1.98 -1.57 115.95 120.72 1u2y h TRP 316 Ca 0.09 0.00 -0.73 0.00 2.06 0.00 0.00 58.89 60.31 1u2y h TRP 316 Cb 0.56 -0.02 -0.31 0.00 -1.00 0.00 0.00 29.16 28.39 1u2y h TRP 316 CO 0.00 0.04 0.64 -0.25 -3.56 0.00 0.00 178.44 175.32 1u2y n ASP 317 N -4.53 6.87 -0.24 -3.49 8.00 0.24 -4.91 116.55 118.48 1u2y n ASP 317 Ca -0.02 -3.81 -0.04 0.00 0.71 0.00 0.00 54.79 51.63 1u2y n ASP 317 Cb 0.09 -0.93 -0.03 0.00 -0.02 0.00 0.00 41.12 40.23 1u2y n ASP 317 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1u2y n ALA 318 N -0.51 -0.27 0.05 2.24 0.00 -0.59 -0.83 120.51 120.60 1u2y n ALA 318 Ca 0.50 0.53 -0.11 0.00 0.00 0.00 0.00 53.44 54.36 1u2y n ALA 318 Cb 0.33 -0.14 -0.05 0.00 0.00 0.00 0.00 19.45 19.59 1u2y n ALA 318 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 1u2y h ARG 319 N 0.00 -0.19 -0.00 0.00 2.43 -1.90 -1.27 114.38 113.45 1u2y h ARG 319 Ca 0.13 0.01 -0.13 0.00 -0.81 0.00 0.00 59.98 59.19 1u2y h ARG 319 Cb 0.28 0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.85 1u2y h ARG 319 CO -0.56 -0.13 -0.61 -0.07 -1.51 0.00 0.00 179.97 177.09 1u2y h LEU 320 N -0.20 0.01 -0.32 3.80 3.38 -1.77 -3.17 115.31 117.03 1u2y h LEU 320 Ca 0.04 -0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.98 1u2y h LEU 320 Cb 0.25 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 1u2y h LEU 320 CO -0.12 0.62 0.09 0.22 0.09 0.00 0.00 178.44 179.34 1u2y h TYR 321 N 0.00 0.53 -0.44 1.13 3.20 -0.65 -1.50 116.97 119.24 1u2y h TYR 321 Ca -0.01 -0.06 0.00 0.00 3.14 0.00 0.00 58.73 61.81 1u2y h TYR 321 Cb 1.08 -0.15 -0.02 0.00 1.54 0.00 0.00 36.73 39.18 1u2y h TYR 321 CO 0.00 0.54 0.28 0.87 -1.64 0.00 0.00 178.16 178.21 1u2y h LYS 322 N 0.37 0.58 -0.26 1.82 1.57 -1.24 -0.52 116.57 118.89 1u2y h LYS 322 Ca 0.10 -0.04 -0.11 0.00 -1.87 0.00 0.00 60.65 58.73 1u2y h LYS 322 Cb 0.27 -0.13 -0.00 0.00 0.08 0.00 0.00 32.23 32.44 1u2y h LYS 322 CO -0.00 0.40 -0.28 0.52 -0.57 0.00 0.00 179.45 179.51 1u2y h MET 323 N 0.60 0.65 -0.34 3.15 2.86 -1.45 -0.94 114.93 119.46 1u2y h MET 323 Ca 0.16 -0.35 -0.04 0.00 -2.06 0.00 0.00 59.70 57.41 1u2y h MET 323 Cb -0.05 0.02 -0.01 0.00 0.06 0.00 0.00 31.60 31.61 1u2y h MET 323 CO -0.03 0.96 0.07 0.00 1.06 0.00 0.00 176.91 178.97 1u2y h ALA 324 N 0.68 0.45 -0.54 6.32 0.00 -0.70 -0.79 119.26 124.67 1u2y h ALA 324 Ca 0.04 -0.19 -0.07 0.00 0.00 0.00 0.00 54.91 54.69 1u2y h ALA 324 Cb 0.85 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.49 1u2y h ALA 324 CO 0.07 0.13 0.07 0.28 0.00 0.00 0.00 179.25 179.80 1u2y h VAL 325 N 0.39 1.24 -0.41 0.00 2.07 -1.13 -1.22 116.25 117.19 1u2y h VAL 325 Ca 0.10 -0.94 -0.04 0.00 0.82 0.00 0.00 66.70 66.65 1u2y h VAL 325 Cb 0.32 0.74 -0.02 0.00 -1.52 0.00 0.00 31.29 30.82 1u2y h VAL 325 CO 0.00 0.34 0.11 1.23 0.02 0.00 0.00 177.57 179.27 1u2y h GLY 326 N 0.99 0.70 0.96 2.17 0.00 -0.89 -0.59 103.07 106.40 1u2y h GLY 326 Ca 0.17 -0.43 -0.02 0.00 0.00 0.00 0.00 47.33 47.05 1u2y h GLY 326 CO 0.01 0.40 0.20 -2.75 0.00 0.00 0.00 176.54 174.40 1u2y h PHE 327 N 0.52 0.63 -0.13 5.60 3.57 -0.89 -1.50 116.94 124.74 1u2y h PHE 327 Ca 0.13 -0.04 0.01 0.00 3.53 0.00 0.00 57.97 61.61 1u2y h PHE 327 Cb 0.30 -0.19 -0.02 0.00 2.79 0.00 0.00 35.95 38.83 1u2y h PHE 327 CO 0.02 0.53 0.04 1.98 -2.23 0.00 0.00 178.31 178.64 1u2y h MET 328 N 0.55 0.10 0.00 1.11 4.05 -1.02 -0.71 114.93 119.00 1u2y h MET 328 Ca 0.15 -0.01 -0.03 0.00 -0.28 0.00 0.00 59.70 59.53 1u2y h MET 328 Cb 0.14 -0.02 -0.00 0.00 -0.80 0.00 0.00 31.60 30.92 1u2y h MET 328 CO -0.02 0.06 -0.14 -0.07 0.23 0.00 0.00 176.91 176.97 1u2y h LEU 329 N 0.10 0.00 0.02 3.39 3.38 -0.98 -2.98 115.31 118.24 1u2y h LEU 329 Ca 0.06 0.00 -0.27 0.00 0.09 0.00 0.00 57.88 57.76 1u2y h LEU 329 Cb 0.04 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.75 1u2y h LEU 329 CO -0.07 0.14 -1.49 0.00 0.09 0.00 0.00 178.44 177.12 1u2y h ALA 330 N 1.86 0.57 -2.60 1.53 0.00 -0.89 -3.38 119.26 116.35 1u2y h ALA 330 Ca -0.00 -1.25 -0.51 0.00 0.00 0.00 0.00 54.91 53.14 1u2y h ALA 330 Cb 0.50 0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.55 1u2y h ALA 330 CO 0.02 1.42 0.38 -1.58 0.00 0.00 0.00 179.25 179.49 1u2y s HIS 331 N -2.63 3.79 -0.21 0.00 5.65 -0.31 -4.96 115.29 116.62 1u2y s HIS 331 Ca -0.04 1.77 0.24 0.00 0.25 0.00 0.00 55.06 57.29 1u2y s HIS 331 Cb 0.08 -3.09 1.21 0.00 -1.18 0.00 0.00 32.58 29.61 1u2y s HIS 331 CO 0.82 0.08 1.74 -1.00 -0.65 0.00 0.00 174.74 175.74 1u2y h PRO 332 N 5.38 0.00 -6.63 2.88 0.13 -1.90 -3.46 132.00 128.40 1u2y h PRO 332 Ca -0.43 0.00 -0.53 0.00 -0.87 0.00 0.00 66.00 64.17 1u2y h PRO 332 Cb 1.21 0.00 0.03 0.00 0.13 0.00 0.00 31.00 32.37 1u2y h PRO 332 CO 0.72 0.00 0.72 -0.47 -0.23 0.00 0.00 178.00 178.74 1u2y s TYR 333 N -3.53 3.19 0.22 1.56 6.14 -1.26 -4.89 117.35 118.78 1u2y s TYR 333 Ca -0.00 1.02 0.00 0.00 0.64 0.00 0.00 57.07 58.72 1u2y s TYR 333 Cb 0.08 -3.71 0.00 0.00 0.42 0.00 0.00 41.96 38.75 1u2y s TYR 333 CO 0.28 -2.38 0.00 0.41 0.64 0.00 0.00 175.55 174.50 1u2y n GLY 334 N 2.91 -1.78 3.52 8.97 0.00 -1.25 -4.81 105.19 112.75 1u2y n GLY 334 Ca 0.09 -1.18 -0.35 0.00 0.00 0.00 0.00 46.02 44.58 1u2y n GLY 334 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1u2y s PHE 335 N -1.59 3.12 0.01 1.61 5.36 -0.78 -4.94 117.98 120.78 1u2y s PHE 335 Ca 0.00 -0.23 -0.19 0.00 -0.96 0.00 0.00 56.93 55.54 1u2y s PHE 335 Cb 0.00 -2.10 -0.06 0.00 -0.34 0.00 0.00 43.02 40.52 1u2y s PHE 335 CO 0.00 -0.10 0.56 0.95 -1.46 0.00 0.00 175.22 175.17 1u2y s THR 336 N 0.84 4.88 -0.12 0.12 -4.23 -1.26 -0.68 115.64 115.19 1u2y s THR 336 Ca 0.02 1.17 0.03 0.00 -1.18 0.00 0.00 61.69 61.73 1u2y s THR 336 Cb -0.14 -3.89 0.01 0.00 1.34 0.00 0.00 72.50 69.82 1u2y s THR 336 CO 0.02 0.47 -0.22 -0.60 -0.54 0.00 0.00 174.62 173.75 1u2y s ARG 337 N -0.53 2.96 -0.09 3.99 3.52 -0.38 -2.13 118.95 126.30 1u2y s ARG 337 Ca 0.29 -0.84 -0.10 0.00 -0.13 0.00 0.00 55.73 54.95 1u2y s ARG 337 Cb -0.18 -2.33 -0.05 0.00 -1.56 0.00 0.00 34.95 30.83 1u2y s ARG 337 CO 0.17 0.06 0.25 0.08 -0.81 0.00 0.00 175.30 175.04 1u2y s VAL 338 N 0.64 5.32 0.09 7.11 1.01 0.35 -4.50 120.40 130.42 1u2y s VAL 338 Ca -0.12 0.46 -0.12 0.00 0.00 0.00 0.00 61.98 62.20 1u2y s VAL 338 Cb -0.16 -3.53 -0.06 0.00 0.00 0.00 0.00 36.38 32.62 1u2y s VAL 338 CO 0.02 0.58 0.46 -0.32 0.00 0.00 0.00 175.10 175.84 1u2y s MET 339 N -0.85 3.87 -0.12 2.72 1.75 -1.26 -0.45 119.30 124.95 1u2y s MET 339 Ca 0.18 0.33 -0.03 0.00 -1.25 0.00 0.00 55.69 54.92 1u2y s MET 339 Cb -0.14 -3.01 0.04 0.00 2.84 0.00 0.00 34.83 34.57 1u2y s MET 339 CO 0.07 0.55 0.03 0.45 -0.65 0.00 0.00 175.02 175.48 1u2y s SER 340 N -1.63 2.10 0.30 1.11 0.15 -0.84 -4.32 113.70 110.57 1u2y s SER 340 Ca 0.33 -0.40 0.01 0.00 0.70 0.00 0.00 55.95 56.60 1u2y s SER 340 Cb -0.15 -0.43 0.01 0.00 -1.71 0.00 0.00 66.02 63.75 1u2y s SER 340 CO 0.18 -0.26 0.09 -1.20 1.20 0.00 0.00 173.24 173.24 1u2y n SER 341 N 5.15 2.53 -4.25 5.45 7.64 -1.26 -3.17 113.62 125.72 1u2y n SER 341 Ca -0.07 -2.23 -0.20 0.00 1.01 0.00 0.00 58.87 57.38 1u2y n SER 341 Cb 0.49 0.12 -0.12 0.00 -1.01 0.00 0.00 64.21 63.70 1u2y n SER 341 CO 0.00 0.00 0.00 -0.72 -3.01 0.00 0.00 175.04 171.31 1u2y s TYR 342 N -1.89 1.52 0.32 1.43 -0.85 -1.26 -0.22 117.35 116.39 1u2y s TYR 342 Ca 0.06 -0.48 -0.17 0.00 -0.52 0.00 0.00 57.07 55.96 1u2y s TYR 342 Cb -0.01 -0.81 -0.09 0.00 0.38 0.00 0.00 41.96 41.43 1u2y s TYR 342 CO 0.04 0.16 0.78 1.03 -1.52 0.00 0.00 175.55 176.04 1u2y s ARG 343 N -2.24 4.12 0.04 -3.49 0.52 0.33 -4.83 118.95 113.40 1u2y s ARG 343 Ca 0.06 0.82 -0.03 0.00 -0.52 0.00 0.00 55.73 56.06 1u2y s ARG 343 Cb -0.08 -2.50 -0.02 0.00 0.52 0.00 0.00 34.95 32.87 1u2y s ARG 343 CO 0.04 0.18 0.04 1.67 0.02 0.00 0.00 175.30 177.24 1u2y s TRP 344 N -1.90 0.31 -1.11 -0.53 -2.14 -1.26 -4.85 118.94 107.46 1u2y s TRP 344 Ca 0.53 -0.69 -0.22 0.00 2.66 0.00 0.00 56.10 58.38 1u2y s TRP 344 Cb -0.12 -0.22 -0.01 0.00 -3.10 0.00 0.00 33.47 30.02 1u2y s TRP 344 CO 0.18 -0.34 1.78 -1.25 -2.66 0.00 0.00 176.95 174.65 1u2y s PRO 345 N -2.84 3.13 0.08 3.25 0.04 -1.26 -4.94 135.00 132.45 1u2y s PRO 345 Ca -0.03 -1.15 -0.30 0.00 0.04 0.00 0.00 61.00 59.55 1u2y s PRO 345 Cb 0.00 -5.30 -0.10 0.00 0.04 0.00 0.00 34.50 29.14 1u2y s PRO 345 CO -0.06 -3.01 1.92 1.03 0.04 0.00 0.00 177.00 176.92 1u2y s ARG 346 N 5.70 4.14 -0.42 4.56 0.52 -1.26 -4.65 118.95 127.54 1u2y s ARG 346 Ca 0.60 2.63 0.03 0.00 -0.52 0.00 0.00 55.73 58.47 1u2y s ARG 346 Cb -0.01 -3.90 0.12 0.00 0.52 0.00 0.00 34.95 31.68 1u2y s ARG 346 CO 0.03 -0.91 0.17 -1.14 0.02 0.00 0.00 175.30 173.47 1u2y s GLN 347 N 3.68 1.51 0.04 3.54 2.00 -1.26 -5.01 119.66 124.15 1u2y s GLN 347 Ca 0.86 -2.06 -0.30 0.00 -2.00 0.00 0.00 55.36 51.86 1u2y s GLN 347 Cb -0.45 -2.89 -0.04 0.00 0.80 0.00 0.00 33.01 30.43 1u2y s GLN 347 CO 0.40 -1.05 1.02 -0.06 -0.50 0.00 0.00 175.29 175.10 1u2y s PHE 348 N 0.46 3.64 -0.11 1.67 0.08 -1.26 -1.01 117.98 121.46 1u2y s PHE 348 Ca 0.14 1.64 -0.03 0.00 0.12 0.00 0.00 56.93 58.80 1u2y s PHE 348 Cb -0.22 -3.17 0.05 0.00 -0.57 0.00 0.00 43.02 39.10 1u2y s PHE 348 CO -0.06 -0.24 0.10 -0.65 -0.10 0.00 0.00 175.22 174.27 1u2y s GLN 349 N 0.75 0.01 -1.37 0.44 -0.21 0.61 -4.83 119.66 115.07 1u2y s GLN 349 Ca 0.52 0.24 -0.09 0.00 0.02 0.00 0.00 55.36 56.05 1u2y s GLN 349 Cb -0.24 -0.99 0.01 0.00 1.00 0.00 0.00 33.01 32.80 1u2y s GLN 349 CO 0.29 -0.47 1.18 0.09 -2.12 0.00 0.00 175.29 174.26 1u2y n ASN 350 N 5.30 -6.29 0.00 5.90 3.02 -1.26 -2.13 115.26 119.81 1u2y n ASN 350 Ca -0.05 -0.55 0.00 0.00 -0.03 0.00 0.00 54.58 53.95 1u2y n ASN 350 Cb 0.50 -4.98 0.00 0.00 -0.61 0.00 0.00 39.78 34.68 1u2y n ASN 350 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1u2y n GLY 351 N -2.00 0.61 3.07 7.41 0.00 -1.26 -5.02 105.19 108.00 1u2y n GLY 351 Ca 0.01 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.81 1u2y n GLY 351 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1u2y s ASN 352 N -2.31 1.55 -0.47 1.61 -0.87 -0.90 -5.09 114.94 108.46 1u2y s ASN 352 Ca 0.00 -0.24 -0.29 0.00 -1.57 0.00 0.00 52.86 50.76 1u2y s ASN 352 Cb 0.00 -0.29 0.03 0.00 -0.02 0.00 0.00 41.25 40.96 1u2y s ASN 352 CO 0.00 0.13 1.16 -0.62 -2.57 0.00 0.00 177.10 175.20 1u2y s ASP 353 N -0.09 6.62 0.18 -1.22 2.15 -1.26 -0.28 116.67 122.76 1u2y s ASP 353 Ca 0.01 0.50 0.24 0.00 0.43 0.00 0.00 52.55 53.72 1u2y s ASP 353 Cb -0.07 -2.55 0.91 0.00 -0.30 0.00 0.00 42.92 40.90 1u2y s ASP 353 CO 0.00 -1.26 1.72 1.33 -0.17 0.00 0.00 175.17 176.78 1u2y n VAL 354 N 6.85 0.71 -1.24 1.11 0.24 -0.18 -2.87 118.33 122.95 1u2y n VAL 354 Ca 0.12 0.06 -0.10 0.00 -2.04 0.00 0.00 64.34 62.38 1u2y n VAL 354 Cb 0.49 -0.91 0.22 0.00 -1.47 0.00 0.00 33.84 32.17 1u2y n VAL 354 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 1u2y n ASN 355 N -2.07 3.58 0.00 -1.34 3.02 -1.26 -4.60 115.26 112.58 1u2y n ASN 355 Ca 0.04 -3.53 0.08 0.00 -0.03 0.00 0.00 54.58 51.14 1u2y n ASN 355 Cb 0.29 -0.72 0.44 0.00 -0.61 0.00 0.00 39.78 39.17 1u2y n ASN 355 CO 0.00 0.00 0.00 -0.90 -2.62 0.00 0.00 177.26 173.74 1u2y n ASP 356 N -0.86 0.00 0.06 6.41 5.68 -1.14 -2.63 116.55 124.07 1u2y n ASP 356 Ca 0.43 -0.04 0.09 0.00 -0.50 0.00 0.00 54.79 54.77 1u2y n ASP 356 Cb 1.33 -0.25 -0.06 0.00 -1.14 0.00 0.00 41.12 41.00 1u2y n ASP 356 CO 0.00 0.00 0.00 -2.67 -1.33 0.00 0.00 177.20 173.20 1u2y n TRP 357 N -1.25 0.72 -1.63 2.11 4.27 -1.26 -4.95 117.44 115.44 1u2y n TRP 357 Ca 0.09 0.22 -0.58 0.00 -3.89 0.00 0.00 57.50 53.33 1u2y n TRP 357 Cb 0.12 -0.88 -0.07 0.00 -1.36 0.00 0.00 31.31 29.12 1u2y n TRP 357 CO 0.00 0.00 0.00 0.28 -2.29 0.00 0.00 177.69 175.68 1u2y n VAL 358 N -2.62 0.09 -1.60 -1.67 0.31 -1.08 -2.55 118.33 109.22 1u2y n VAL 358 Ca -0.03 -0.02 -0.17 0.00 -0.01 0.00 0.00 64.34 64.10 1u2y n VAL 358 Cb 0.62 -0.71 0.12 0.00 -0.91 0.00 0.00 33.84 32.96 1u2y n VAL 358 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1u2y n GLY 359 N 3.06 -1.26 3.69 2.92 0.00 -1.25 -4.33 105.19 108.01 1u2y n GLY 359 Ca 0.23 -1.71 -0.31 0.00 0.00 0.00 0.00 46.02 44.23 1u2y n GLY 359 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1u2y s PRO 360 N -4.71 1.23 0.12 1.61 0.04 -1.26 -4.90 135.00 127.13 1u2y s PRO 360 Ca 0.45 1.55 -0.35 0.00 0.04 0.00 0.00 61.00 62.69 1u2y s PRO 360 Cb -0.01 -1.75 -0.16 0.00 0.04 0.00 0.00 34.50 32.62 1u2y s PRO 360 CO 0.32 -2.48 1.40 -2.30 0.04 0.00 0.00 177.00 173.98 1u2y n PRO 361 N -4.01 1.48 -3.87 0.56 -0.02 -1.26 -4.89 135.00 122.99 1u2y n PRO 361 Ca 0.12 0.53 -0.09 0.00 -2.02 0.00 0.00 63.50 62.04 1u2y n PRO 361 Cb 0.52 -2.20 -0.05 0.00 -0.02 0.00 0.00 33.50 31.74 1u2y n PRO 361 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1u2y s ASN 362 N 0.56 -0.14 -0.32 2.55 2.20 -1.26 -0.69 114.94 117.85 1u2y s ASN 362 Ca 0.81 -0.71 0.02 0.00 -0.94 0.00 0.00 52.86 52.04 1u2y s ASN 362 Cb -0.85 0.55 0.10 0.00 -2.00 0.00 0.00 41.25 39.05 1u2y s ASN 362 CO 0.45 -1.05 0.06 0.20 -2.94 0.00 0.00 177.10 173.82 1u2y s ASN 363 N -2.94 4.40 -1.44 3.54 0.02 0.11 -4.75 114.94 113.88 1u2y s ASN 363 Ca 0.15 -1.88 -0.10 0.00 -1.02 0.00 0.00 52.86 50.01 1u2y s ASN 363 Cb -0.00 -1.28 0.04 0.00 0.02 0.00 0.00 41.25 40.03 1u2y s ASN 363 CO 0.01 -0.39 1.02 0.59 0.02 0.00 0.00 177.10 178.36 1u2y n ASN 364 N 4.53 -5.73 0.00 -1.22 3.02 -1.26 -1.90 115.26 112.70 1u2y n ASN 364 Ca 0.00 -0.58 0.00 0.00 -0.03 0.00 0.00 54.58 53.97 1u2y n ASN 364 Cb 0.42 -4.55 0.00 0.00 -0.61 0.00 0.00 39.78 35.04 1u2y n ASN 364 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1u2y n GLY 365 N -1.81 3.32 3.61 7.41 0.00 -1.26 -5.02 105.19 111.44 1u2y n GLY 365 Ca 0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 1u2y n GLY 365 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1u2y s VAL 366 N -2.50 4.77 0.23 1.61 1.01 -0.80 -4.99 120.40 119.73 1u2y s VAL 366 Ca 0.00 1.22 -0.32 0.00 0.00 0.00 0.00 61.98 62.88 1u2y s VAL 366 Cb 0.00 -4.17 -0.13 0.00 0.00 0.00 0.00 36.38 32.08 1u2y s VAL 366 CO 0.00 -0.28 1.53 -0.38 0.00 0.00 0.00 175.10 175.98 1u2y n ILE 367 N 5.57 0.63 -2.52 2.22 5.41 -1.26 -0.71 119.36 128.71 1u2y n ILE 367 Ca 0.04 -0.16 -0.34 0.00 1.00 0.00 0.00 62.75 63.30 1u2y n ILE 367 Cb 0.48 -1.67 -0.03 0.00 -0.71 0.00 0.00 39.64 37.70 1u2y n ILE 367 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 176.55 176.01 1u2y s LYS 368 N 0.06 3.78 0.62 0.38 1.02 0.14 -4.87 119.74 120.87 1u2y s LYS 368 Ca 0.70 1.34 -0.12 0.00 0.02 0.00 0.00 55.97 57.91 1u2y s LYS 368 Cb -0.60 -2.09 -0.04 0.00 -0.52 0.00 0.00 37.83 34.58 1u2y s LYS 368 CO 0.45 -0.45 1.03 -1.83 -0.92 0.00 0.00 175.35 173.63 1u2y s GLU 369 N -3.30 3.51 -0.33 1.68 1.03 -1.26 -4.91 118.70 115.12 1u2y s GLU 369 Ca 0.67 0.85 -0.27 0.00 0.03 0.00 0.00 54.97 56.25 1u2y s GLU 369 Cb -0.16 -2.07 0.01 0.00 -0.80 0.00 0.00 34.13 31.12 1u2y s GLU 369 CO 0.21 -0.64 1.00 0.08 -1.33 0.00 0.00 175.26 174.57 1u2y s VAL 370 N -3.02 4.56 -0.07 1.83 1.01 -1.26 -4.81 120.40 118.65 1u2y s VAL 370 Ca 0.57 1.50 -0.07 0.00 0.00 0.00 0.00 61.98 63.98 1u2y s VAL 370 Cb -0.12 -4.36 -0.04 0.00 0.00 0.00 0.00 36.38 31.86 1u2y s VAL 370 CO 0.49 -0.48 0.19 0.42 0.00 0.00 0.00 175.10 175.73 1u2y s THR 371 N 3.53 5.42 -0.24 3.92 -4.23 -1.26 -4.97 115.64 117.81 1u2y s THR 371 Ca 0.42 0.19 -0.07 0.00 -1.18 0.00 0.00 61.69 61.04 1u2y s THR 371 Cb -0.12 -3.48 -0.03 0.00 1.34 0.00 0.00 72.50 70.21 1u2y s THR 371 CO 0.16 0.52 0.06 -0.63 -0.54 0.00 0.00 174.62 174.19 1u2y s ILE 372 N -1.14 4.33 0.71 2.99 -1.09 -1.26 -0.63 121.20 125.11 1u2y s ILE 372 Ca 0.20 -0.17 -0.11 0.00 -2.23 0.00 0.00 60.65 58.34 1u2y s ILE 372 Cb -0.13 -3.01 0.01 0.00 -1.58 0.00 0.00 42.46 37.76 1u2y s ILE 372 CO 0.10 0.36 1.08 0.20 -1.23 0.00 0.00 174.94 175.44 1u2y s ASN 373 N 1.43 5.40 0.60 3.58 0.01 0.20 -4.93 114.94 121.22 1u2y s ASN 373 Ca 0.05 1.28 0.29 0.00 -0.71 0.00 0.00 52.86 53.77 1u2y s ASN 373 Cb -0.15 -2.12 1.63 0.00 0.41 0.00 0.00 41.25 41.03 1u2y s ASN 373 CO 0.03 -1.39 2.05 1.55 -1.51 0.00 0.00 177.10 177.84 1u2y h PRO 374 N -0.68 0.00 -0.58 -0.60 0.13 -1.99 -0.27 132.00 128.00 1u2y h PRO 374 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1u2y h PRO 374 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 1u2y h PRO 374 CO 0.62 0.00 0.00 -0.40 -0.23 0.00 0.00 178.00 177.99 1u2y n ASP 375 N -3.71 3.23 0.00 1.44 5.75 -1.26 -4.90 116.55 117.10 1u2y n ASP 375 Ca 0.03 -2.22 0.00 0.00 -0.01 0.00 0.00 54.79 52.59 1u2y n ASP 375 Cb 0.40 -0.44 0.00 0.00 -1.03 0.00 0.00 41.12 40.05 1u2y n ASP 375 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 1u2y n THR 376 N 0.78 0.00 -2.17 2.12 -2.24 -0.11 -5.03 114.28 107.63 1u2y n THR 376 Ca 0.18 0.00 -0.26 0.00 -2.27 0.00 0.00 64.05 61.69 1u2y n THR 376 Cb 0.59 -0.07 0.07 0.00 -2.10 0.00 0.00 70.33 68.82 1u2y n THR 376 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1u2y s THR 377 N -3.31 2.31 0.20 4.28 -4.23 -1.26 -4.74 115.64 108.89 1u2y s THR 377 Ca 0.00 -0.22 0.04 0.00 -1.18 0.00 0.00 61.69 60.33 1u2y s THR 377 Cb 0.00 -3.02 -0.03 0.00 1.34 0.00 0.00 72.50 70.78 1u2y s THR 377 CO 0.00 -0.03 0.26 0.00 -0.54 0.00 0.00 174.62 174.32 1u2y n GLY 379 N -0.87 4.10 2.50 0.00 0.00 0.20 -4.70 105.19 106.42 1u2y n GLY 379 Ca -0.08 -2.16 -0.21 0.00 0.00 0.00 0.00 46.02 43.57 1u2y n GLY 379 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1u2y n ASN 380 N -1.24 -5.63 -0.06 1.61 3.02 -1.26 -2.45 115.26 109.24 1u2y n ASN 380 Ca 0.00 0.28 -0.01 0.00 -0.03 0.00 0.00 54.58 54.82 1u2y n ASN 380 Cb 0.00 -4.85 -0.00 0.00 -0.61 0.00 0.00 39.78 34.32 1u2y n ASN 380 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1u2y n ASP 381 N -1.64 -3.59 -4.72 6.41 8.00 -1.26 -4.74 116.55 115.01 1u2y n ASP 381 Ca -0.22 0.02 -0.40 0.00 0.71 0.00 0.00 54.79 54.89 1u2y n ASP 381 Cb 0.68 -1.15 -0.04 0.00 -0.02 0.00 0.00 41.12 40.58 1u2y n ASP 381 CO 0.00 0.00 0.00 0.26 -0.39 0.00 0.00 177.20 177.07 1u2y s TRP 382 N -1.87 3.62 0.10 1.24 0.52 -1.03 -0.51 118.94 121.02 1u2y s TRP 382 Ca 0.00 1.37 -0.06 0.00 0.02 0.00 0.00 56.10 57.43 1u2y s TRP 382 Cb 0.00 -2.86 -0.17 0.00 -1.15 0.00 0.00 33.47 29.29 1u2y s TRP 382 CO 0.00 0.10 1.23 0.28 0.02 0.00 0.00 176.95 178.59 1u2y h VAL 383 N 4.65 1.40 -6.29 4.03 2.07 -0.92 -3.40 116.25 117.80 1u2y h VAL 383 Ca -0.42 -2.59 -0.45 0.00 0.82 0.00 0.00 66.70 64.06 1u2y h VAL 383 Cb 1.20 2.58 0.05 0.00 -1.52 0.00 0.00 31.29 33.61 1u2y h VAL 383 CO 0.74 0.77 -0.92 0.00 0.02 0.00 0.00 177.57 178.18 1u2y h GLU 385 N -1.90 0.22 0.00 0.00 3.07 -1.87 -0.46 114.58 113.63 1u2y h GLU 385 Ca -0.66 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.19 1u2y h GLU 385 Cb 1.36 -0.05 0.00 0.00 -0.84 0.00 0.00 28.75 29.23 1u2y h GLU 385 CO 0.52 0.14 0.00 -2.39 -1.40 0.00 0.00 179.01 175.88 1u2y n HIS 386 N -4.47 0.12 0.86 4.33 1.44 -1.26 -1.61 115.22 114.63 1u2y n HIS 386 Ca 0.06 0.05 0.10 0.00 -2.01 0.00 0.00 57.72 55.92 1u2y n HIS 386 Cb 0.32 -0.58 -0.12 0.00 0.12 0.00 0.00 29.99 29.72 1u2y n HIS 386 CO 0.00 0.00 0.00 0.54 -2.81 0.00 0.00 176.34 174.07 1u2y n ARG 387 N -1.61 0.26 -1.79 -1.40 1.74 -0.18 -4.14 116.66 109.53 1u2y n ARG 387 Ca 0.02 -0.02 -0.42 0.00 -0.77 0.00 0.00 57.85 56.66 1u2y n ARG 387 Cb 0.10 -1.47 -0.03 0.00 -1.02 0.00 0.00 32.46 30.04 1u2y n ARG 387 CO 0.00 0.00 0.00 -1.58 -1.52 0.00 0.00 177.63 174.53 1u2y s TRP 388 N -3.00 2.90 0.23 -1.55 0.52 -0.63 -4.79 118.94 112.62 1u2y s TRP 388 Ca 0.06 0.40 -0.09 0.00 0.02 0.00 0.00 56.10 56.49 1u2y s TRP 388 Cb 0.15 -4.08 0.36 0.00 -1.15 0.00 0.00 33.47 28.75 1u2y s TRP 388 CO 0.85 -4.09 1.64 -0.09 0.02 0.00 0.00 176.95 175.28 1u2y h ARG 389 N 6.92 0.09 -0.52 4.98 2.43 -1.92 0.11 114.38 126.47 1u2y h ARG 389 Ca -0.43 -0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 58.73 1u2y h ARG 389 Cb 1.20 -0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 30.71 1u2y h ARG 389 CO 0.94 0.06 0.32 1.96 -1.51 0.00 0.00 179.97 181.74 1u2y h GLN 390 N 0.09 0.70 0.08 0.20 7.50 -1.82 0.24 115.11 122.10 1u2y h GLN 390 Ca 0.37 -0.05 -0.18 0.00 0.50 0.00 0.00 58.65 59.28 1u2y h GLN 390 Cb 0.62 -0.15 -0.00 0.00 0.05 0.00 0.00 27.48 28.00 1u2y h GLN 390 CO -0.62 0.48 -0.89 0.82 -1.50 0.00 0.00 178.83 177.13 1u2y h ILE 391 N 0.71 1.33 -0.75 2.54 2.04 -1.50 -3.15 117.51 118.72 1u2y h ILE 391 Ca 0.19 -2.39 0.05 0.00 1.00 0.00 0.00 64.86 63.70 1u2y h ILE 391 Cb -0.04 2.94 -0.05 0.00 -0.74 0.00 0.00 36.82 38.93 1u2y h ILE 391 CO -0.04 0.63 0.46 -0.09 0.00 0.00 0.00 178.15 179.11 1u2y h ARG 392 N -0.59 0.83 0.00 2.37 1.12 -0.76 -1.32 114.38 116.02 1u2y h ARG 392 Ca -0.19 -0.05 -0.03 0.00 -1.11 0.00 0.00 59.98 58.59 1u2y h ARG 392 Cb 1.48 -0.19 -0.00 0.00 -0.01 0.00 0.00 29.97 31.25 1u2y h ARG 392 CO 0.03 0.55 -0.17 -0.91 -3.11 0.00 0.00 179.97 176.37 1u2y h ASN 393 N 0.86 0.00 1.37 -3.80 2.35 -1.08 -2.39 115.58 112.90 1u2y h ASN 393 Ca 0.32 0.00 -0.09 0.00 -0.55 0.00 0.00 56.30 55.98 1u2y h ASN 393 Cb 0.11 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.47 1u2y h ASN 393 CO -0.15 0.17 -0.65 0.24 -1.65 0.00 0.00 177.43 175.39 1u2y h MET 394 N 0.00 0.00 -0.43 0.81 2.86 -1.25 -1.29 114.93 115.63 1u2y h MET 394 Ca -0.00 0.00 -0.07 0.00 -2.06 0.00 0.00 59.70 57.57 1u2y h MET 394 Cb 0.55 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.19 1u2y h MET 394 CO 0.02 0.32 -0.00 0.28 1.06 0.00 0.00 176.91 178.59 1u2y h VAL 395 N 0.00 1.26 -0.36 -2.22 2.07 -0.79 -1.31 116.25 114.90 1u2y h VAL 395 Ca -0.04 -1.03 -0.13 0.00 0.82 0.00 0.00 66.70 66.32 1u2y h VAL 395 Cb 1.32 1.07 -0.01 0.00 -1.52 0.00 0.00 31.29 32.16 1u2y h VAL 395 CO 0.04 0.35 -0.31 0.40 0.02 0.00 0.00 177.57 178.07 1u2y h ILE 396 N 0.60 1.28 -0.52 4.57 2.04 -1.42 -2.84 117.51 121.22 1u2y h ILE 396 Ca 0.12 -1.46 0.07 0.00 1.00 0.00 0.00 64.86 64.59 1u2y h ILE 396 Cb 0.49 1.33 -0.06 0.00 -0.74 0.00 0.00 36.82 37.84 1u2y h ILE 396 CO 0.02 0.48 0.19 0.15 0.00 0.00 0.00 178.15 178.99 1u2y h PHE 397 N 0.67 0.32 -0.78 1.37 3.04 -0.89 -0.89 116.94 119.80 1u2y h PHE 397 Ca 0.07 0.03 -0.00 0.00 3.98 0.00 0.00 57.97 62.05 1u2y h PHE 397 Cb 0.85 -0.07 -0.04 0.00 2.56 0.00 0.00 35.95 39.26 1u2y h PHE 397 CO 0.05 0.10 0.47 -0.09 -2.02 0.00 0.00 178.31 176.81 1u2y h ARG 398 N 0.36 1.05 -0.17 1.11 2.43 -1.04 -1.74 114.38 116.38 1u2y h ARG 398 Ca 0.26 -0.09 -0.00 0.00 -0.81 0.00 0.00 59.98 59.33 1u2y h ARG 398 Cb 0.29 -0.22 -0.01 0.00 -0.42 0.00 0.00 29.97 29.61 1u2y h ARG 398 CO -0.26 0.74 0.11 -0.91 -1.51 0.00 0.00 179.97 178.13 1u2y h ASN 399 N 1.06 0.21 -0.76 -3.80 2.35 -1.13 -1.54 115.58 111.97 1u2y h ASN 399 Ca 0.28 -0.04 0.00 0.00 -0.55 0.00 0.00 56.30 55.99 1u2y h ASN 399 Cb -0.04 -0.05 -0.04 0.00 0.05 0.00 0.00 38.32 38.24 1u2y h ASN 399 CO -0.05 0.19 0.49 0.58 -1.65 0.00 0.00 177.43 176.98 1u2y h VAL 400 N 0.21 1.20 -0.32 2.81 2.07 -0.82 -2.81 116.25 118.59 1u2y h VAL 400 Ca 0.06 -0.40 0.00 0.00 0.82 0.00 0.00 66.70 67.19 1u2y h VAL 400 Cb 0.02 0.10 0.00 0.00 -1.52 0.00 0.00 31.29 29.88 1u2y h VAL 400 CO -0.01 0.20 0.00 1.33 0.02 0.00 0.00 177.57 179.11 1u2y n VAL 401 N -4.41 0.41 -1.66 2.57 0.24 -0.69 -4.97 118.33 109.83 1u2y n VAL 401 Ca 0.08 -0.62 -0.55 0.00 -2.04 0.00 0.00 64.34 61.21 1u2y n VAL 401 Cb 0.04 0.79 -0.06 0.00 -1.47 0.00 0.00 33.84 33.14 1u2y n VAL 401 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 1u2y n ASP 402 N 1.14 2.20 0.00 -1.34 2.03 -0.59 -0.87 116.55 119.12 1u2y n ASP 402 Ca 0.18 1.08 0.00 0.00 0.52 0.00 0.00 54.79 56.58 1u2y n ASP 402 Cb 0.52 -1.18 0.00 0.00 -0.72 0.00 0.00 41.12 39.74 1u2y n ASP 402 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1u2y n GLY 403 N 3.57 3.22 3.77 0.27 0.00 -1.26 -5.05 105.19 109.71 1u2y n GLY 403 Ca 0.23 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.85 1u2y n GLY 403 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1u2y s GLN 404 N -0.51 4.39 0.64 1.61 -1.52 -0.05 -5.02 119.66 119.20 1u2y s GLN 404 Ca 0.00 1.92 -0.14 0.00 -1.95 0.00 0.00 55.36 55.19 1u2y s GLN 404 Cb 0.00 -2.99 -0.01 0.00 -0.22 0.00 0.00 33.01 29.78 1u2y s GLN 404 CO 0.00 -0.05 1.06 -1.25 -0.25 0.00 0.00 175.29 174.80 1u2y s PRO 405 N -1.81 3.08 -0.17 2.91 0.04 -1.26 -4.56 135.00 133.22 1u2y s PRO 405 Ca 0.50 1.13 -0.29 0.00 0.04 0.00 0.00 61.00 62.38 1u2y s PRO 405 Cb -0.33 -2.00 -0.01 0.00 0.04 0.00 0.00 34.50 32.20 1u2y s PRO 405 CO 0.43 -1.00 1.15 0.12 0.04 0.00 0.00 177.00 177.74 1u2y s PHE 406 N -2.67 3.12 0.36 0.56 5.36 -1.26 -0.38 117.98 123.07 1u2y s PHE 406 Ca 0.62 1.25 -0.07 0.00 -0.96 0.00 0.00 56.93 57.77 1u2y s PHE 406 Cb -0.16 -3.38 0.03 0.00 -0.34 0.00 0.00 43.02 39.17 1u2y s PHE 406 CO 0.45 -1.08 0.60 0.25 -1.46 0.00 0.00 175.22 173.98 1u2y n THR 407 N 5.21 0.00 -4.04 0.12 -2.24 -0.59 -4.93 114.28 107.81 1u2y n THR 407 Ca 0.12 -1.41 -0.31 0.00 -2.27 0.00 0.00 64.05 60.19 1u2y n THR 407 Cb 0.46 1.03 -0.01 0.00 -2.10 0.00 0.00 70.33 69.70 1u2y n THR 407 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1u2y n ASN 408 N -1.58 -2.56 -4.76 3.42 3.02 -1.26 0.34 115.26 111.87 1u2y n ASN 408 Ca -0.03 -0.95 -0.40 0.00 -0.03 0.00 0.00 54.58 53.16 1u2y n ASN 408 Cb 0.57 -3.17 -0.03 0.00 -0.61 0.00 0.00 39.78 36.54 1u2y n ASN 408 CO 0.00 0.00 0.00 0.86 -2.62 0.00 0.00 177.26 175.50 1u2y s TRP 409 N -3.53 3.35 0.00 3.10 -0.11 -1.26 -4.09 118.94 116.40 1u2y s TRP 409 Ca 0.45 1.58 -0.01 0.00 1.22 0.00 0.00 56.10 59.34 1u2y s TRP 409 Cb -0.24 -3.46 -0.00 0.00 -1.50 0.00 0.00 33.47 28.27 1u2y s TRP 409 CO 0.89 -1.12 0.02 -0.47 -4.62 0.00 0.00 176.95 171.64 1u2y s TYR 410 N -1.15 0.07 -0.02 5.86 5.04 0.15 -4.96 117.35 122.34 1u2y s TYR 410 Ca 0.46 -0.14 -0.22 0.00 -2.44 0.00 0.00 57.07 54.73 1u2y s TYR 410 Cb -0.35 -0.06 0.05 0.00 0.35 0.00 0.00 41.96 41.94 1u2y s TYR 410 CO 0.46 -0.09 0.49 0.16 -1.34 0.00 0.00 175.55 175.24 1u2y s ASP 411 N -0.56 -0.42 -0.25 4.32 1.47 -1.26 -0.30 116.67 119.68 1u2y s ASP 411 Ca -0.06 0.34 0.13 0.00 1.18 0.00 0.00 52.55 54.14 1u2y s ASP 411 Cb -0.04 0.43 0.79 0.00 -0.34 0.00 0.00 42.92 43.76 1u2y s ASP 411 CO -0.00 -0.56 1.74 -0.46 0.68 0.00 0.00 175.17 176.57 1u2y n ASN 412 N 0.96 5.45 0.00 2.11 6.94 -0.65 -4.87 115.26 125.19 1u2y n ASN 412 Ca -0.20 -2.98 0.00 0.00 -0.02 0.00 0.00 54.58 51.38 1u2y n ASN 412 Cb 0.57 -0.70 0.00 0.00 -2.36 0.00 0.00 39.78 37.29 1u2y n ASN 412 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1u2y n GLY 413 N 0.43 0.65 0.00 4.83 0.00 -1.26 -4.85 105.19 104.99 1u2y n GLY 413 Ca 0.30 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.32 1u2y n GLY 413 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1u2y n SER 414 N -0.06 0.00 -0.34 1.61 2.88 -1.26 -4.91 113.62 111.54 1u2y n SER 414 Ca 0.00 0.00 0.08 0.00 -1.33 0.00 0.00 58.87 57.62 1u2y n SER 414 Cb 0.03 0.00 0.16 0.00 -0.75 0.00 0.00 64.21 63.65 1u2y n SER 414 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 1u2y n ASN 415 N 0.00 1.95 -4.11 -3.46 4.13 -1.26 -1.99 115.26 110.52 1u2y n ASN 415 Ca 0.00 -3.32 -0.33 0.00 1.68 0.00 0.00 54.58 52.61 1u2y n ASN 415 Cb 0.00 -0.45 -0.14 0.00 -1.54 0.00 0.00 39.78 37.64 1u2y n ASN 415 CO 0.00 0.00 0.00 -1.10 0.28 0.00 0.00 177.26 176.44 1u2y s GLN 416 N -2.79 2.22 0.21 3.52 -0.21 -1.26 -0.61 119.66 120.74 1u2y s GLN 416 Ca 0.33 -1.40 0.04 0.00 0.02 0.00 0.00 55.36 54.35 1u2y s GLN 416 Cb 0.31 -3.08 -0.05 0.00 1.00 0.00 0.00 33.01 31.19 1u2y s GLN 416 CO -0.02 -0.66 -0.03 0.14 -2.12 0.00 0.00 175.29 172.61 1u2y s VAL 417 N 1.14 1.07 0.05 1.09 -7.23 -0.89 -1.63 120.40 114.00 1u2y s VAL 417 Ca -0.04 -2.04 -0.27 0.00 -1.81 0.00 0.00 61.98 57.82 1u2y s VAL 417 Cb -0.20 -2.24 0.07 0.00 0.56 0.00 0.00 36.38 34.57 1u2y s VAL 417 CO -0.04 -0.42 0.63 0.00 -0.31 0.00 0.00 175.10 174.97 1u2y s ALA 418 N -3.40 -1.65 0.06 1.32 0.00 0.60 -0.29 121.76 118.39 1u2y s ALA 418 Ca 0.26 0.89 -0.27 0.00 0.00 0.00 0.00 51.96 52.85 1u2y s ALA 418 Cb 0.05 0.42 0.09 0.00 0.00 0.00 0.00 23.12 23.68 1u2y s ALA 418 CO 0.07 -0.56 0.82 -0.59 0.00 0.00 0.00 175.76 175.50 1u2y s PHE 419 N -2.42 -0.37 0.42 0.00 -0.12 -0.82 0.31 117.98 114.98 1u2y s PHE 419 Ca -0.05 0.19 0.05 0.00 -0.05 0.00 0.00 56.93 57.06 1u2y s PHE 419 Cb -0.00 0.56 -0.06 0.00 -0.63 0.00 0.00 43.02 42.89 1u2y s PHE 419 CO -0.01 -0.67 0.02 0.20 -0.05 0.00 0.00 175.22 174.71 1u2y s GLY 420 N -2.61 2.59 -0.34 1.99 0.00 0.15 -1.40 107.32 107.70 1u2y s GLY 420 Ca 0.05 -1.70 0.03 0.00 0.00 0.00 0.00 44.72 43.10 1u2y s GLY 420 CO -0.08 -2.07 0.08 0.50 0.00 0.00 0.00 173.10 171.52 1u2y s ARG 421 N -3.78 1.27 5.09 2.90 1.81 0.19 -1.54 118.95 124.89 1u2y s ARG 421 Ca 0.27 -1.67 0.00 0.00 -1.72 0.00 0.00 55.73 52.60 1u2y s ARG 421 Cb 0.07 -2.84 0.00 0.00 -0.45 0.00 0.00 34.95 31.74 1u2y s ARG 421 CO 0.13 -0.97 0.00 0.41 -0.68 0.00 0.00 175.30 174.20 1u2y n GLY 422 N 4.37 3.03 0.57 -3.53 0.00 0.49 -1.74 105.19 108.38 1u2y n GLY 422 Ca 0.02 -0.15 0.05 0.00 0.00 0.00 0.00 46.02 45.95 1u2y n GLY 422 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1u2y n ASN 423 N 2.59 2.14 -0.00 1.61 6.94 -1.26 -4.60 115.26 122.69 1u2y n ASN 423 Ca 0.00 -3.62 0.05 0.00 -0.02 0.00 0.00 54.58 51.00 1u2y n ASN 423 Cb 0.00 -0.52 -0.07 0.00 -2.36 0.00 0.00 39.78 36.82 1u2y n ASN 423 CO 0.00 0.00 0.00 0.54 -1.03 0.00 0.00 177.26 176.77 1u2y n ARG 424 N -1.17 1.78 -3.51 -3.83 5.12 -0.71 -4.56 116.66 109.78 1u2y n ARG 424 Ca 0.21 -0.05 -0.10 0.00 -1.93 0.00 0.00 57.85 55.98 1u2y n ARG 424 Cb 0.75 -1.14 -0.03 0.00 -1.16 0.00 0.00 32.46 30.88 1u2y n ARG 424 CO 0.00 0.00 0.00 0.20 -1.93 0.00 0.00 177.63 175.90 1u2y s GLY 425 N -2.68 -0.44 -0.09 -0.13 0.00 -1.11 -0.34 107.32 102.53 1u2y s GLY 425 Ca -0.00 1.21 -0.12 0.00 0.00 0.00 0.00 44.72 45.81 1u2y s GLY 425 CO 0.44 0.52 0.31 -0.12 0.00 0.00 0.00 173.10 174.25 1u2y s PHE 426 N -2.60 -0.30 0.01 1.90 5.36 -0.07 -0.64 117.98 121.65 1u2y s PHE 426 Ca 0.02 0.69 0.01 0.00 -0.96 0.00 0.00 56.93 56.69 1u2y s PHE 426 Cb -0.01 0.11 -0.01 0.00 -0.34 0.00 0.00 43.02 42.77 1u2y s PHE 426 CO -0.06 -0.22 -0.03 -1.50 -1.46 0.00 0.00 175.22 171.96 1u2y s ILE 427 N -0.19 0.20 -0.03 3.12 2.07 -0.49 -1.49 121.20 124.38 1u2y s ILE 427 Ca -0.03 -0.39 0.03 0.00 -1.41 0.00 0.00 60.65 58.84 1u2y s ILE 427 Cb -0.03 -0.23 0.00 0.00 0.13 0.00 0.00 42.46 42.33 1u2y s ILE 427 CO 0.01 -0.13 -0.11 -0.69 -1.91 0.00 0.00 174.94 172.11 1u2y s VAL 428 N -0.52 0.95 0.01 4.00 1.01 0.27 -1.95 120.40 124.17 1u2y s VAL 428 Ca -0.04 -0.45 0.07 0.00 0.00 0.00 0.00 61.98 61.56 1u2y s VAL 428 Cb -0.04 -0.84 -0.02 0.00 0.00 0.00 0.00 36.38 35.48 1u2y s VAL 428 CO -0.00 0.29 -0.21 -0.36 0.00 0.00 0.00 175.10 174.81 1u2y s PHE 429 N 0.18 1.90 -0.31 5.22 0.40 0.60 -1.12 117.98 124.85 1u2y s PHE 429 Ca -0.04 -0.37 -0.00 0.00 -0.60 0.00 0.00 56.93 55.92 1u2y s PHE 429 Cb -0.10 -1.18 0.10 0.00 0.51 0.00 0.00 43.02 42.36 1u2y s PHE 429 CO 0.01 0.03 0.08 1.21 0.70 0.00 0.00 175.22 177.26 1u2y s ASN 430 N -0.85 4.11 -0.19 1.36 2.47 -0.21 -2.08 114.94 119.54 1u2y s ASN 430 Ca 0.08 -1.69 0.15 0.00 0.42 0.00 0.00 52.86 51.83 1u2y s ASN 430 Cb -0.09 -0.98 0.44 0.00 -1.45 0.00 0.00 41.25 39.17 1u2y s ASN 430 CO 0.01 -0.40 1.33 -3.20 -3.72 0.00 0.00 177.10 171.11 1u2y n ASN 431 N 4.76 2.89 -4.99 -4.21 5.15 0.22 -4.78 115.26 114.29 1u2y n ASN 431 Ca -0.02 -3.29 -0.19 0.00 -0.60 0.00 0.00 54.58 50.48 1u2y n ASN 431 Cb 0.42 -0.53 0.02 0.00 -0.53 0.00 0.00 39.78 39.16 1u2y n ASN 431 CO 0.00 0.00 0.00 -1.81 1.40 0.00 0.00 177.26 176.85 1u2y s ASP 432 N -2.49 5.62 -0.11 1.20 1.01 -1.25 -4.81 116.67 115.84 1u2y s ASP 432 Ca 0.39 -0.18 0.04 0.00 0.71 0.00 0.00 52.55 53.50 1u2y s ASP 432 Cb 0.34 -0.92 0.27 0.00 1.01 0.00 0.00 42.92 43.63 1u2y s ASP 432 CO 0.03 -0.81 1.06 0.47 0.21 0.00 0.00 175.17 176.14 1u2y n ASP 433 N -1.98 2.87 -4.11 0.27 8.00 -1.26 -4.77 116.55 115.56 1u2y n ASP 433 Ca 0.06 -2.41 -0.10 0.00 0.71 0.00 0.00 54.79 53.05 1u2y n ASP 433 Cb 0.59 -0.58 -0.09 0.00 -0.02 0.00 0.00 41.12 41.02 1u2y n ASP 433 CO 0.00 0.00 0.00 -1.66 -0.39 0.00 0.00 177.20 175.15 1u2y s TRP 434 N -1.48 0.82 0.65 1.24 -2.14 -1.26 -4.97 118.94 111.79 1u2y s TRP 434 Ca 0.20 -1.13 -0.13 0.00 2.66 0.00 0.00 56.10 57.70 1u2y s TRP 434 Cb 0.15 -0.33 -0.01 0.00 -3.10 0.00 0.00 33.47 30.18 1u2y s TRP 434 CO 0.05 -0.67 1.06 -1.12 -2.66 0.00 0.00 176.95 173.60 1u2y s SER 435 N -3.07 5.59 -0.15 -2.66 0.01 -1.26 -4.20 113.70 107.95 1u2y s SER 435 Ca 0.28 1.71 0.01 0.00 1.31 0.00 0.00 55.95 59.26 1u2y s SER 435 Cb 0.05 -2.51 0.01 0.00 0.21 0.00 0.00 66.02 63.78 1u2y s SER 435 CO 0.06 -1.30 -0.19 0.12 0.41 0.00 0.00 173.24 172.35 1u2y s PHE 436 N -2.77 2.73 -0.30 2.43 5.36 0.04 -4.97 117.98 120.51 1u2y s PHE 436 Ca 0.61 -1.23 0.01 0.00 -0.96 0.00 0.00 56.93 55.35 1u2y s PHE 436 Cb -0.15 -1.86 0.15 0.00 -0.34 0.00 0.00 43.02 40.82 1u2y s PHE 436 CO 0.46 -0.57 0.35 0.45 -1.46 0.00 0.00 175.22 174.45 1u2y s SER 437 N 0.86 1.13 0.06 6.13 0.15 -1.25 0.20 113.70 120.99 1u2y s SER 437 Ca -0.05 -0.70 -0.16 0.00 0.70 0.00 0.00 55.95 55.73 1u2y s SER 437 Cb -0.15 0.74 0.03 0.00 -1.71 0.00 0.00 66.02 64.93 1u2y s SER 437 CO -0.02 -0.36 0.38 -0.22 1.20 0.00 0.00 173.24 174.22 1u2y s LEU 438 N 2.34 0.54 -0.24 3.45 2.96 -0.65 -5.00 118.68 122.09 1u2y s LEU 438 Ca 0.10 -0.13 -0.14 0.00 -0.22 0.00 0.00 54.13 53.74 1u2y s LEU 438 Cb -0.13 1.65 -0.04 0.00 0.50 0.00 0.00 46.19 48.17 1u2y s LEU 438 CO -0.29 -0.70 0.30 -0.89 -1.32 0.00 0.00 176.35 173.45 1u2y s THR 439 N -2.83 5.25 0.19 3.68 2.01 -1.26 -1.01 115.64 121.68 1u2y s THR 439 Ca -0.03 0.46 0.10 0.00 0.31 0.00 0.00 61.69 62.53 1u2y s THR 439 Cb -0.00 -3.63 -0.04 0.00 0.01 0.00 0.00 72.50 68.83 1u2y s THR 439 CO -0.05 0.26 -0.20 -0.76 -0.69 0.00 0.00 174.62 173.18 1u2y s LEU 440 N 1.44 2.46 -0.21 4.42 1.02 0.05 -4.91 118.68 122.95 1u2y s LEU 440 Ca 0.13 -0.89 -0.26 0.00 0.02 0.00 0.00 54.13 53.14 1u2y s LEU 440 Cb -0.15 -0.97 -0.01 0.00 0.02 0.00 0.00 46.19 45.09 1u2y s LEU 440 CO 0.08 0.02 0.87 -1.58 0.02 0.00 0.00 176.35 175.75 1u2y s GLN 441 N -2.88 4.24 -0.12 1.70 2.00 -1.26 -1.26 119.66 122.07 1u2y s GLN 441 Ca 0.19 1.05 0.20 0.00 -2.00 0.00 0.00 55.36 54.80 1u2y s GLN 441 Cb -0.06 -3.62 -0.29 0.00 0.80 0.00 0.00 33.01 29.84 1u2y s GLN 441 CO 0.09 -0.47 0.25 0.25 -0.50 0.00 0.00 175.29 174.91 1u2y n THR 442 N 5.07 0.78 -1.00 -0.34 -2.24 0.18 -4.93 114.28 111.79 1u2y n THR 442 Ca 0.06 -0.70 0.00 0.00 -2.27 0.00 0.00 64.05 61.14 1u2y n THR 442 Cb 0.48 -0.26 0.00 0.00 -2.10 0.00 0.00 70.33 68.45 1u2y n THR 442 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1u2y n GLY 443 N 1.54 0.63 3.92 3.38 0.00 -1.23 -4.78 105.19 108.65 1u2y n GLY 443 Ca -0.20 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.53 1u2y n GLY 443 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1u2y s LEU 444 N 0.00 4.24 0.55 0.99 1.02 -1.26 -4.31 118.68 119.91 1u2y s LEU 444 Ca 0.00 0.45 -0.20 0.00 0.02 0.00 0.00 54.13 54.40 1u2y s LEU 444 Cb 0.00 -3.20 -0.05 0.00 0.02 0.00 0.00 46.19 42.96 1u2y s LEU 444 CO 0.00 -0.01 1.18 -2.16 0.02 0.00 0.00 176.35 175.38 1u2y s PRO 445 N -3.12 3.23 0.52 1.29 0.04 -1.26 -4.48 135.00 131.22 1u2y s PRO 445 Ca 0.39 1.75 -0.20 0.00 0.04 0.00 0.00 61.00 62.98 1u2y s PRO 445 Cb -0.11 -2.03 -0.10 0.00 0.04 0.00 0.00 34.50 32.30 1u2y s PRO 445 CO 0.28 -0.98 0.59 0.00 0.04 0.00 0.00 177.00 176.93 1u2y n ALA 446 N -1.31 -1.05 0.00 8.56 0.00 -1.26 -4.87 120.51 120.58 1u2y n ALA 446 Ca 0.12 0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.61 1u2y n ALA 446 Cb 0.50 -1.85 0.00 0.00 0.00 0.00 0.00 19.45 18.10 1u2y n ALA 446 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1u2y n GLY 447 N 1.71 -0.08 3.42 0.00 0.00 -0.75 -4.97 105.19 104.52 1u2y n GLY 447 Ca 0.11 -1.77 -0.36 0.00 0.00 0.00 0.00 46.02 44.01 1u2y n GLY 447 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1u2y s THR 448 N -1.37 4.10 -0.04 2.61 2.01 -1.26 -0.98 115.64 120.71 1u2y s THR 448 Ca 0.00 -0.24 0.02 0.00 0.31 0.00 0.00 61.69 61.78 1u2y s THR 448 Cb 0.00 -2.91 -0.03 0.00 0.01 0.00 0.00 72.50 69.57 1u2y s THR 448 CO 0.00 0.36 -0.09 -0.31 -0.69 0.00 0.00 174.62 173.90 1u2y s TYR 449 N 1.53 2.86 0.01 4.92 1.51 0.35 0.32 117.35 128.86 1u2y s TYR 449 Ca 0.06 -0.04 -0.24 0.00 -1.01 0.00 0.00 57.07 55.84 1u2y s TYR 449 Cb -0.15 -1.65 -0.05 0.00 -0.11 0.00 0.00 41.96 40.00 1u2y s TYR 449 CO 0.02 0.31 0.74 0.00 -1.11 0.00 0.00 175.55 175.51 1u2y s ASP 451 N 0.20 6.97 0.00 0.00 2.15 -0.06 -4.63 116.67 121.30 1u2y s ASP 451 Ca 0.38 1.84 0.29 0.00 0.43 0.00 0.00 52.55 55.50 1u2y s ASP 451 Cb -0.19 -2.55 1.37 0.00 -0.30 0.00 0.00 42.92 41.25 1u2y s ASP 451 CO 0.21 -0.67 1.94 1.33 -0.17 0.00 0.00 175.17 177.81 1u2y n VAL 452 N 4.87 0.00 -0.07 1.11 0.24 -0.22 -2.63 118.33 121.63 1u2y n VAL 452 Ca 0.12 -0.08 -0.22 0.00 -2.04 0.00 0.00 64.34 62.13 1u2y n VAL 452 Cb 0.45 -0.10 -0.12 0.00 -1.47 0.00 0.00 33.84 32.60 1u2y n VAL 452 CO 0.00 0.00 0.00 0.40 -2.14 0.00 0.00 176.83 175.09 1u2y h ILE 453 N 0.74 0.88 0.00 1.34 1.08 -1.88 -3.39 117.51 116.28 1u2y h ILE 453 Ca 0.00 -2.23 -0.09 0.00 -0.39 0.00 0.00 64.86 62.15 1u2y h ILE 453 Cb 0.29 2.34 -0.01 0.00 -3.07 0.00 0.00 36.82 36.37 1u2y h ILE 453 CO 0.00 0.47 -0.52 0.77 -0.69 0.00 0.00 178.15 178.18 1u2y h SER 454 N -0.73 0.00 0.00 1.72 4.64 -1.87 -3.40 113.55 113.91 1u2y h SER 454 Ca -0.35 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.97 1u2y h SER 454 Cb 1.48 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.57 1u2y h SER 454 CO -0.13 0.42 0.00 0.61 -0.87 0.00 0.00 176.83 176.86 1u2y n GLY 455 N 1.22 3.93 3.22 -0.77 0.00 -1.08 -4.52 105.19 107.19 1u2y n GLY 455 Ca 0.01 -0.78 -0.11 0.00 0.00 0.00 0.00 46.02 45.14 1u2y n GLY 455 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1u2y s ASP 456 N 1.68 0.17 -0.47 1.61 1.01 -1.26 -4.36 116.67 115.05 1u2y s ASP 456 Ca 0.00 -1.27 -0.12 0.00 0.71 0.00 0.00 52.55 51.87 1u2y s ASP 456 Cb 0.00 0.37 0.10 0.00 1.01 0.00 0.00 42.92 44.40 1u2y s ASP 456 CO 0.00 -0.83 0.36 -0.75 0.21 0.00 0.00 175.17 174.16 1u2y s LYS 457 N -4.10 2.71 -0.15 8.23 2.36 -1.26 -1.39 119.74 126.14 1u2y s LYS 457 Ca 0.32 -1.58 0.01 0.00 -2.55 0.00 0.00 55.97 52.17 1u2y s LYS 457 Cb 0.06 -3.99 0.02 0.00 -1.05 0.00 0.00 37.83 32.87 1u2y s LYS 457 CO 0.08 -1.11 -0.16 0.42 1.55 0.00 0.00 175.35 176.13 1u2y s ILE 458 N 1.48 1.69 -0.79 5.43 1.01 0.48 -4.87 121.20 125.63 1u2y s ILE 458 Ca 0.04 -0.71 -0.03 0.00 0.00 0.00 0.00 60.65 59.96 1u2y s ILE 458 Cb -0.26 -1.57 0.00 0.00 0.01 0.00 0.00 42.46 40.65 1u2y s ILE 458 CO 0.02 0.48 0.62 -0.46 0.00 0.00 0.00 174.94 175.60 1u2y n ASN 459 N 4.72 -5.22 -1.51 3.58 6.94 -1.26 -2.12 115.26 120.38 1u2y n ASN 459 Ca -0.18 -0.81 -0.20 0.00 -0.02 0.00 0.00 54.58 53.37 1u2y n ASN 459 Cb 0.50 -2.09 -0.08 0.00 -2.36 0.00 0.00 39.78 35.75 1u2y n ASN 459 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1u2y n GLY 460 N -1.57 1.86 3.20 4.83 0.00 -1.26 -4.96 105.19 107.30 1u2y n GLY 460 Ca -0.27 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.66 1u2y n GLY 460 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1u2y s ASN 461 N -2.71 0.08 -0.13 1.61 0.01 -0.90 -5.04 114.94 107.85 1u2y s ASN 461 Ca 0.00 -0.55 -0.05 0.00 -0.71 0.00 0.00 52.86 51.55 1u2y s ASN 461 Cb 0.00 0.33 -0.04 0.00 0.41 0.00 0.00 41.25 41.95 1u2y s ASN 461 CO 0.00 -0.68 0.07 0.00 -1.51 0.00 0.00 177.10 174.97 1u2y n THR 463 N 2.54 0.00 -0.81 0.00 -2.24 -0.48 -4.93 114.28 108.36 1u2y n THR 463 Ca -0.18 -0.05 0.00 0.00 -2.27 0.00 0.00 64.05 61.55 1u2y n THR 463 Cb 0.54 0.35 0.00 0.00 -2.10 0.00 0.00 70.33 69.12 1u2y n THR 463 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1u2y n GLY 464 N 1.45 5.37 3.76 3.38 0.00 -1.26 -4.79 105.19 113.09 1u2y n GLY 464 Ca 0.08 -1.35 -0.38 0.00 0.00 0.00 0.00 46.02 44.37 1u2y n GLY 464 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1u2y s ILE 465 N 2.41 2.46 -0.03 -0.61 1.01 -1.26 -4.87 121.20 120.31 1u2y s ILE 465 Ca 0.00 0.36 0.07 0.00 0.00 0.00 0.00 60.65 61.08 1u2y s ILE 465 Cb 0.00 -3.19 -0.02 0.00 0.01 0.00 0.00 42.46 39.26 1u2y s ILE 465 CO 0.00 0.01 -0.23 -0.54 0.00 0.00 0.00 174.94 174.17 1u2y s LYS 466 N -2.74 2.26 -0.03 2.79 1.02 -1.26 -0.88 119.74 120.90 1u2y s LYS 466 Ca 0.67 -0.88 0.06 0.00 0.02 0.00 0.00 55.97 55.84 1u2y s LYS 466 Cb -0.37 -2.13 -0.02 0.00 -0.52 0.00 0.00 37.83 34.79 1u2y s LYS 466 CO 0.44 0.55 -0.21 0.42 -0.92 0.00 0.00 175.35 175.63 1u2y s ILE 467 N -0.57 2.52 -0.23 2.17 -1.09 0.36 -4.95 121.20 119.41 1u2y s ILE 467 Ca 0.08 -0.94 -0.02 0.00 -2.23 0.00 0.00 60.65 57.55 1u2y s ILE 467 Cb -0.11 -1.93 0.02 0.00 -1.58 0.00 0.00 42.46 38.86 1u2y s ILE 467 CO -0.00 0.58 -0.07 -0.31 -1.23 0.00 0.00 174.94 173.91 1u2y s TYR 468 N -0.67 3.00 -0.21 3.97 2.02 -1.26 -0.49 117.35 123.70 1u2y s TYR 468 Ca 0.11 -1.41 -0.10 0.00 -0.37 0.00 0.00 57.07 55.30 1u2y s TYR 468 Cb -0.10 -2.05 -0.05 0.00 -0.40 0.00 0.00 41.96 39.36 1u2y s TYR 468 CO -0.00 -0.69 0.13 0.08 -1.57 0.00 0.00 175.55 173.49 1u2y s VAL 469 N 1.36 5.27 0.89 0.71 1.01 -0.15 -4.28 120.40 125.21 1u2y s VAL 469 Ca 0.02 0.14 -0.12 0.00 0.00 0.00 0.00 61.98 62.03 1u2y s VAL 469 Cb -0.16 -3.42 0.18 0.00 0.00 0.00 0.00 36.38 32.98 1u2y s VAL 469 CO -0.05 0.40 1.23 -0.94 0.00 0.00 0.00 175.10 175.74 1u2y s SER 470 N 0.66 3.47 0.54 3.32 1.04 0.45 -1.81 113.70 121.37 1u2y s SER 470 Ca 0.07 0.10 0.20 0.00 0.48 0.00 0.00 55.95 56.79 1u2y s SER 470 Cb -0.12 -0.24 1.41 0.00 0.10 0.00 0.00 66.02 67.17 1u2y s SER 470 CO 0.01 -2.48 2.17 0.44 0.98 0.00 0.00 173.24 174.35 1u2y h ASP 471 N -1.33 0.00 -0.08 7.02 3.32 -1.96 -0.68 116.42 122.71 1u2y h ASP 471 Ca -0.42 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.63 1u2y h ASP 471 Cb 1.24 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.79 1u2y h ASP 471 CO 0.39 0.00 0.00 -0.90 -1.72 0.00 0.00 179.24 177.01 1u2y n ASP 472 N -4.36 1.04 0.00 6.45 5.68 -1.26 -4.81 116.55 119.29 1u2y n ASP 472 Ca -0.02 -1.54 0.00 0.00 -0.50 0.00 0.00 54.79 52.73 1u2y n ASP 472 Cb 0.11 -0.05 0.00 0.00 -1.14 0.00 0.00 41.12 40.04 1u2y n ASP 472 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1u2y n GLY 473 N 1.03 0.72 3.88 6.12 0.00 -0.26 -4.88 105.19 111.80 1u2y n GLY 473 Ca 0.17 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.88 1u2y n GLY 473 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1u2y s LYS 474 N -0.31 3.75 -0.07 1.61 1.02 -1.26 -0.65 119.74 123.84 1u2y s LYS 474 Ca 0.00 0.23 -0.22 0.00 0.02 0.00 0.00 55.97 56.00 1u2y s LYS 474 Cb 0.00 -2.60 0.05 0.00 -0.52 0.00 0.00 37.83 34.75 1u2y s LYS 474 CO 0.00 0.23 0.49 0.00 -0.92 0.00 0.00 175.35 175.15 1u2y s ALA 475 N -1.99 -1.26 -0.11 5.17 0.00 -0.39 -0.42 121.76 122.77 1u2y s ALA 475 Ca 0.47 0.94 -0.14 0.00 0.00 0.00 0.00 51.96 53.23 1u2y s ALA 475 Cb -0.11 -0.15 -0.05 0.00 0.00 0.00 0.00 23.12 22.82 1u2y s ALA 475 CO 0.25 -0.30 0.34 -1.58 0.00 0.00 0.00 175.76 174.48 1u2y s HIS 476 N -0.94 3.55 -0.06 0.00 2.46 -1.26 -0.77 115.29 118.27 1u2y s HIS 476 Ca -0.10 0.75 0.06 0.00 0.47 0.00 0.00 55.06 56.24 1u2y s HIS 476 Cb -0.03 -2.34 -0.01 0.00 -0.13 0.00 0.00 32.58 30.07 1u2y s HIS 476 CO 0.06 0.37 -0.24 -0.06 -2.47 0.00 0.00 174.74 172.39 1u2y s PHE 477 N -0.01 2.37 -0.16 3.88 0.40 -0.18 -4.80 117.98 119.49 1u2y s PHE 477 Ca 0.20 -0.72 -0.01 0.00 -0.60 0.00 0.00 56.93 55.80 1u2y s PHE 477 Cb -0.14 -1.56 0.04 0.00 0.51 0.00 0.00 43.02 41.87 1u2y s PHE 477 CO 0.07 -0.22 -0.03 0.45 0.70 0.00 0.00 175.22 176.19 1u2y s SER 478 N -0.11 2.75 -0.14 1.36 0.15 -1.26 -1.63 113.70 114.82 1u2y s SER 478 Ca -0.05 -0.65 -0.01 0.00 0.70 0.00 0.00 55.95 55.95 1u2y s SER 478 Cb -0.14 -0.82 0.04 0.00 -1.71 0.00 0.00 66.02 63.39 1u2y s SER 478 CO 0.04 -0.21 -0.03 -0.63 1.20 0.00 0.00 173.24 173.61 1u2y s ILE 479 N 1.70 0.86 0.35 6.45 1.01 0.13 -5.00 121.20 126.70 1u2y s ILE 479 Ca 0.01 -0.42 -0.24 0.00 0.00 0.00 0.00 60.65 59.99 1u2y s ILE 479 Cb -0.15 -1.06 -0.10 0.00 0.01 0.00 0.00 42.46 41.15 1u2y s ILE 479 CO -0.07 0.14 0.94 -0.55 0.00 0.00 0.00 174.94 175.39 1u2y s SER 480 N 1.75 7.22 0.00 3.58 0.15 -1.26 -0.78 113.70 124.36 1u2y s SER 480 Ca 0.02 1.78 0.16 0.00 0.70 0.00 0.00 55.95 58.61 1u2y s SER 480 Cb -0.15 -2.56 0.81 0.00 -1.71 0.00 0.00 66.02 62.41 1u2y s SER 480 CO -0.07 -0.14 1.43 -0.46 1.20 0.00 0.00 173.24 175.20 1u2y n ASN 481 N 0.25 0.00 -0.52 5.45 6.94 -1.26 -1.60 115.26 124.51 1u2y n ASN 481 Ca 0.03 -0.01 0.12 0.00 -0.02 0.00 0.00 54.58 54.70 1u2y n ASN 481 Cb 0.51 -0.25 0.15 0.00 -2.36 0.00 0.00 39.78 37.83 1u2y n ASN 481 CO 0.00 0.00 0.00 -1.20 -1.03 0.00 0.00 177.26 175.03 1u2y n SER 482 N -1.25 1.93 -4.76 0.53 7.64 -1.26 -4.97 113.62 111.48 1u2y n SER 482 Ca 0.08 -1.46 -0.38 0.00 1.01 0.00 0.00 58.87 58.12 1u2y n SER 482 Cb 0.12 0.27 0.02 0.00 -1.01 0.00 0.00 64.21 63.60 1u2y n SER 482 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1u2y s ALA 483 N -2.35 2.95 0.16 -0.43 0.00 -0.63 -4.92 121.76 116.53 1u2y s ALA 483 Ca 0.23 1.21 -0.16 0.00 0.00 0.00 0.00 51.96 53.25 1u2y s ALA 483 Cb 0.19 -3.51 0.06 0.00 0.00 0.00 0.00 23.12 19.87 1u2y s ALA 483 CO 0.49 -1.09 1.78 1.49 0.00 0.00 0.00 175.76 178.43 1u2y h GLU 484 N 1.84 0.38 -4.70 0.00 4.57 -1.93 -3.33 114.58 111.40 1u2y h GLU 484 Ca -0.50 -0.02 -0.67 0.00 -1.18 0.00 0.00 59.36 56.98 1u2y h GLU 484 Cb 1.28 -0.09 -0.37 0.00 -0.16 0.00 0.00 28.75 29.41 1u2y h GLU 484 CO 0.59 0.25 -0.70 -0.51 -1.18 0.00 0.00 179.01 177.46 1u2y s ASP 485 N -5.44 4.81 0.00 1.04 1.01 -1.26 -4.89 116.67 111.94 1u2y s ASP 485 Ca -0.13 -1.83 0.00 0.00 0.71 0.00 0.00 52.55 51.30 1u2y s ASP 485 Cb 0.12 -1.66 0.00 0.00 1.01 0.00 0.00 42.92 42.39 1u2y s ASP 485 CO 0.72 -0.35 1.06 -0.81 0.21 0.00 0.00 175.17 176.00 1u2y n PRO 486 N 4.42 0.68 -3.69 8.23 -0.04 -1.25 -4.79 135.00 138.56 1u2y n PRO 486 Ca -0.04 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.29 1u2y n PRO 486 Cb 0.42 -1.16 -0.07 0.00 -0.04 0.00 0.00 33.50 32.65 1u2y n PRO 486 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 1u2y s PHE 487 N 0.50 -0.27 -0.03 0.54 -0.71 -1.26 -1.05 117.98 115.71 1u2y s PHE 487 Ca 0.00 0.31 0.04 0.00 -1.04 0.00 0.00 56.93 56.25 1u2y s PHE 487 Cb 0.00 0.19 -0.00 0.00 -1.21 0.00 0.00 43.02 41.99 1u2y s PHE 487 CO 0.00 -0.51 -0.15 0.42 -1.34 0.00 0.00 175.22 173.63 1u2y s ILE 488 N -1.97 1.28 -0.02 -4.49 1.01 -0.28 -4.80 121.20 111.94 1u2y s ILE 488 Ca -0.09 -0.65 0.02 0.00 0.00 0.00 0.00 60.65 59.94 1u2y s ILE 488 Cb -0.02 -1.10 0.01 0.00 0.01 0.00 0.00 42.46 41.36 1u2y s ILE 488 CO 0.01 0.37 -0.06 0.00 0.00 0.00 0.00 174.94 175.26 1u2y s ALA 489 N -0.01 0.63 0.03 9.38 0.00 -1.26 -0.56 121.76 129.96 1u2y s ALA 489 Ca -0.02 -0.19 0.02 0.00 0.00 0.00 0.00 51.96 51.78 1u2y s ALA 489 Cb -0.10 -0.27 -0.02 0.00 0.00 0.00 0.00 23.12 22.73 1u2y s ALA 489 CO 0.01 0.08 -0.07 0.96 0.00 0.00 0.00 175.76 176.74 1u2y s ILE 490 N 0.31 0.52 0.24 0.00 -4.36 -0.55 -1.06 121.20 116.30 1u2y s ILE 490 Ca -0.04 -0.88 -0.08 0.00 -0.26 0.00 0.00 60.65 59.39 1u2y s ILE 490 Cb -0.08 -0.55 -0.01 0.00 1.25 0.00 0.00 42.46 43.06 1u2y s ILE 490 CO 0.00 -0.26 0.37 -1.38 0.24 0.00 0.00 174.94 173.91 1u2y s HIS 491 N -1.08 0.68 0.40 1.37 -3.43 -1.26 -0.89 115.29 111.09 1u2y s HIS 491 Ca -0.07 -0.99 0.21 0.00 -0.80 0.00 0.00 55.06 53.42 1u2y s HIS 491 Cb -0.08 -0.07 1.20 0.00 -1.43 0.00 0.00 32.58 32.20 1u2y s HIS 491 CO 0.00 -0.90 1.71 0.00 -2.00 0.00 0.00 174.74 173.55 1u2y h ALA 492 N 2.35 2.35 -0.01 -1.38 0.00 -1.00 0.45 119.26 122.02 1u2y h ALA 492 Ca -0.29 0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.71 1u2y h ALA 492 Cb 1.25 0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.14 1u2y h ALA 492 CO 0.41 -0.85 -0.08 0.39 0.00 0.00 0.00 179.25 179.11 1u2y n GLU 493 N -4.71 1.11 -0.24 0.00 -0.58 -1.26 -3.46 120.64 111.51 1u2y n GLU 493 Ca 0.30 -0.51 0.08 0.00 -0.42 0.00 0.00 57.16 56.61 1u2y n GLU 493 Cb 1.07 -1.49 0.21 0.00 -0.57 0.00 0.00 31.44 30.66 1u2y n GLU 493 CO 0.00 0.00 0.00 -1.13 -0.48 0.00 0.00 177.13 175.52 1u2y n SER 494 N -0.50 3.28 -4.73 1.62 3.41 0.14 -4.96 113.62 111.88 1u2y n SER 494 Ca 0.17 -1.97 -0.41 0.00 -0.26 0.00 0.00 58.87 56.40 1u2y n SER 494 Cb 0.29 -0.31 -0.04 0.00 -0.26 0.00 0.00 64.21 63.89 1u2y n SER 494 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 1u2y s LYS 495 N -1.04 4.61 0.00 4.33 2.20 -1.19 -0.53 119.74 128.12 1u2y s LYS 495 Ca 0.33 1.64 0.26 0.00 -0.36 0.00 0.00 55.97 57.84 1u2y s LYS 495 Cb 0.18 -3.31 1.53 0.00 -1.51 0.00 0.00 37.83 34.71 1u2y s LYS 495 CO 0.23 0.10 1.88 1.28 -0.36 0.00 0.00 175.35 178.48