#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pwc n PRO 4 N 0.00 -0.23 -2.20 3.23 -0.02 -1.26 -4.95 135.00 129.57 1pwc n PRO 4 Ca 0.00 -0.01 -0.41 0.00 -2.02 0.00 0.00 63.50 61.06 1pwc n PRO 4 Cb 0.00 -2.16 -0.03 0.00 -0.02 0.00 0.00 33.50 31.29 1pwc n PRO 4 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1pwc s ALA 5 N -2.40 3.52 0.55 3.55 0.00 -1.26 -4.78 121.76 120.93 1pwc s ALA 5 Ca 0.64 1.14 -0.21 0.00 0.00 0.00 0.00 51.96 53.53 1pwc s ALA 5 Cb -0.24 -3.48 -0.06 0.00 0.00 0.00 0.00 23.12 19.34 1pwc s ALA 5 CO 0.60 -0.55 1.17 -2.30 0.00 0.00 0.00 175.76 174.69 1pwc n PRO 6 N 2.20 1.37 -3.49 0.00 -0.02 -1.26 -3.93 135.00 129.86 1pwc n PRO 6 Ca 0.05 0.51 -0.42 0.00 -2.02 0.00 0.00 63.50 61.61 1pwc n PRO 6 Cb 0.42 -2.35 -0.07 0.00 -0.02 0.00 0.00 33.50 31.48 1pwc n PRO 6 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 1pwc s ASP 7 N -1.00 5.90 0.26 2.55 2.15 -0.39 -4.87 116.67 121.27 1pwc s ASP 7 Ca 0.72 -2.10 0.07 0.00 0.43 0.00 0.00 52.55 51.67 1pwc s ASP 7 Cb -0.44 -2.06 0.31 0.00 -0.30 0.00 0.00 42.92 40.43 1pwc s ASP 7 CO 0.50 -0.68 1.59 0.44 -0.17 0.00 0.00 175.17 176.85 1pwc h ASP 8 N 8.29 0.15 -0.61 -0.34 5.19 -1.93 -0.72 116.42 126.46 1pwc h ASP 8 Ca -0.16 -0.09 -0.02 0.00 -0.62 0.00 0.00 57.03 56.14 1pwc h ASP 8 Cb 1.06 -0.04 -0.03 0.00 0.18 0.00 0.00 39.33 40.50 1pwc h ASP 8 CO 0.87 0.71 0.30 0.74 -3.12 0.00 0.00 179.24 178.74 1pwc h THR 9 N 0.10 1.21 -0.49 0.35 2.02 -1.99 0.65 112.91 114.75 1pwc h THR 9 Ca -0.01 -0.57 -0.02 0.00 0.77 0.00 0.00 66.41 66.58 1pwc h THR 9 Cb 1.08 0.47 -0.02 0.00 -1.74 0.00 0.00 68.15 67.94 1pwc h THR 9 CO 0.09 0.24 0.23 1.23 0.37 0.00 0.00 175.52 177.68 1pwc h GLY 10 N 0.83 0.76 0.93 2.16 0.00 -1.89 -1.23 103.07 104.63 1pwc h GLY 10 Ca 0.21 -0.38 0.02 0.00 0.00 0.00 0.00 47.33 47.18 1pwc h GLY 10 CO -0.03 0.36 0.39 1.41 0.00 0.00 0.00 176.54 178.67 1pwc h LEU 11 N 0.65 0.65 -0.71 3.11 3.38 -0.88 -1.22 115.31 120.29 1pwc h LEU 11 Ca 0.17 -0.01 0.02 0.00 0.09 0.00 0.00 57.88 58.15 1pwc h LEU 11 Cb 0.12 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 40.69 1pwc h LEU 11 CO -0.02 0.46 0.46 -0.61 0.09 0.00 0.00 178.44 178.82 1pwc h GLN 12 N 0.77 0.89 -0.66 1.13 4.15 -0.57 -1.83 115.11 118.99 1pwc h GLN 12 Ca 0.24 -0.05 -0.06 0.00 0.77 0.00 0.00 58.65 59.55 1pwc h GLN 12 Cb -0.03 -0.20 -0.03 0.00 0.21 0.00 0.00 27.48 27.43 1pwc h GLN 12 CO -0.08 0.59 0.18 0.00 -1.93 0.00 0.00 178.83 177.59 1pwc h ALA 13 N 1.29 1.08 0.01 3.38 0.00 -0.68 -0.77 119.26 123.56 1pwc h ALA 13 Ca 0.28 -0.22 0.01 0.00 0.00 0.00 0.00 54.91 54.97 1pwc h ALA 13 Cb -0.03 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.49 1pwc h ALA 13 CO -0.09 0.62 -0.05 0.28 0.00 0.00 0.00 179.25 180.01 1pwc h VAL 14 N 0.98 0.87 -0.74 0.00 2.07 -0.64 0.09 116.25 118.89 1pwc h VAL 14 Ca 0.21 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.69 1pwc h VAL 14 Cb 0.32 0.87 -0.03 0.00 -1.52 0.00 0.00 31.29 30.93 1pwc h VAL 14 CO -0.00 0.00 0.30 -0.07 0.02 0.00 0.00 177.57 177.81 1pwc h LEU 15 N -0.09 1.02 -0.90 2.57 3.38 -1.13 -0.30 115.31 119.86 1pwc h LEU 15 Ca 0.02 -0.17 -0.08 0.00 0.09 0.00 0.00 57.88 57.74 1pwc h LEU 15 Cb 0.11 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.58 1pwc h LEU 15 CO -0.05 0.92 -0.05 -0.74 0.09 0.00 0.00 178.44 178.61 1pwc h HIS 16 N 1.07 0.81 -0.45 1.13 2.76 -0.87 -1.37 115.15 118.23 1pwc h HIS 16 Ca 0.25 -0.13 -0.03 0.00 -2.20 0.00 0.00 60.37 58.26 1pwc h HIS 16 Cb 0.21 -0.22 -0.02 0.00 1.55 0.00 0.00 27.41 28.93 1pwc h HIS 16 CO 0.02 0.78 0.15 1.15 -1.30 0.00 0.00 177.93 178.73 1pwc h THR 17 N 0.70 1.22 -0.90 6.26 2.02 -0.57 -1.62 112.91 120.01 1pwc h THR 17 Ca 0.13 -0.70 0.05 0.00 0.77 0.00 0.00 66.41 66.66 1pwc h THR 17 Cb 0.50 0.84 -0.06 0.00 -1.74 0.00 0.00 68.15 67.69 1pwc h THR 17 CO 0.03 0.25 0.58 0.00 0.37 0.00 0.00 175.52 176.75 1pwc h ALA 18 N 1.00 1.22 -0.79 6.16 0.00 -0.58 -1.30 119.26 124.96 1pwc h ALA 18 Ca 0.15 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 1pwc h ALA 18 Cb 0.24 -0.29 -0.04 0.00 0.00 0.00 0.00 17.79 17.70 1pwc h ALA 18 CO -0.01 0.39 0.44 -0.07 0.00 0.00 0.00 179.25 180.01 1pwc h LEU 19 N 1.09 0.98 -2.33 0.00 4.07 -0.99 -1.62 115.31 116.52 1pwc h LEU 19 Ca 0.37 -0.09 -0.01 0.00 0.08 0.00 0.00 57.88 58.23 1pwc h LEU 19 Cb 0.08 -0.25 -0.00 0.00 1.08 0.00 0.00 40.66 41.56 1pwc h LEU 19 CO -0.14 0.80 -0.04 0.77 -1.08 0.00 0.00 178.44 178.74 1pwc h SER 20 N 1.10 0.00 0.02 -0.43 4.64 -0.29 -2.09 113.55 116.50 1pwc h SER 20 Ca 0.28 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.60 1pwc h SER 20 Cb 0.03 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.12 1pwc h SER 20 CO -0.05 0.04 -0.25 0.00 -0.87 0.00 0.00 176.83 175.70 1pwc n GLN 21 N -3.43 1.52 0.00 4.77 6.02 -0.61 -4.95 117.38 120.70 1pwc n GLN 21 Ca -0.02 -1.18 0.00 0.00 -0.01 0.00 0.00 57.00 55.79 1pwc n GLN 21 Cb 0.16 -1.48 0.00 0.00 1.02 0.00 0.00 30.24 29.94 1pwc n GLN 21 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1pwc n GLY 22 N 1.36 0.82 3.70 1.08 0.00 -0.78 -4.75 105.19 106.61 1pwc n GLY 22 Ca 0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 1pwc n GLY 22 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pwc s ALA 23 N -1.71 3.43 0.30 4.61 0.00 -0.68 -4.91 121.76 122.80 1pwc s ALA 23 Ca 0.00 0.66 -0.01 0.00 0.00 0.00 0.00 51.96 52.61 1pwc s ALA 23 Cb 0.00 -3.48 0.45 0.00 0.00 0.00 0.00 23.12 20.09 1pwc s ALA 23 CO 0.00 -0.62 1.91 -1.35 0.00 0.00 0.00 175.76 175.69 1pwc h PRO 24 N 7.22 0.93 -3.55 0.00 0.11 -1.86 -3.37 132.00 131.47 1pwc h PRO 24 Ca -0.36 -0.12 -0.13 0.00 0.11 0.00 0.00 66.00 65.50 1pwc h PRO 24 Cb 1.18 -0.18 -0.19 0.00 0.11 0.00 0.00 31.00 31.92 1pwc h PRO 24 CO 0.85 0.71 -0.44 0.20 -0.21 0.00 0.00 178.00 179.11 1pwc s GLY 25 N -3.48 0.05 -0.11 -0.55 0.00 -1.19 -1.00 107.32 101.04 1pwc s GLY 25 Ca -0.10 -0.24 -0.18 0.00 0.00 0.00 0.00 44.72 44.20 1pwc s GLY 25 CO 0.79 -0.39 0.46 0.00 0.00 0.00 0.00 173.10 173.96 1pwc s ALA 26 N -2.07 -1.15 0.21 3.20 0.00 -0.32 -1.98 121.76 119.64 1pwc s ALA 26 Ca -0.09 1.03 -0.16 0.00 0.00 0.00 0.00 51.96 52.74 1pwc s ALA 26 Cb -0.04 -0.40 0.02 0.00 0.00 0.00 0.00 23.12 22.70 1pwc s ALA 26 CO -0.01 -0.26 0.52 0.00 0.00 0.00 0.00 175.76 176.00 1pwc s MET 27 N -0.45 1.44 -0.18 0.00 0.23 0.38 -0.63 119.30 120.08 1pwc s MET 27 Ca -0.06 -0.98 -0.23 0.00 -1.03 0.00 0.00 55.69 53.40 1pwc s MET 27 Cb -0.03 0.51 0.06 0.00 -1.53 0.00 0.00 34.83 33.84 1pwc s MET 27 CO 0.03 -0.61 0.61 0.54 -2.03 0.00 0.00 175.02 173.56 1pwc s VAL 28 N -3.91 0.00 -0.06 5.16 0.11 0.00 -1.09 120.40 120.61 1pwc s VAL 28 Ca 0.13 -0.03 0.02 0.00 -2.93 0.00 0.00 61.98 59.17 1pwc s VAL 28 Cb -0.01 -0.87 0.01 0.00 -1.53 0.00 0.00 36.38 33.98 1pwc s VAL 28 CO 0.01 -0.02 -0.13 -0.60 -3.33 0.00 0.00 175.10 171.03 1pwc s ARG 29 N -0.10 1.69 -0.13 1.54 3.52 -0.22 -1.44 118.95 123.82 1pwc s ARG 29 Ca -0.03 -0.43 -0.01 0.00 -0.13 0.00 0.00 55.73 55.13 1pwc s ARG 29 Cb -0.04 -1.41 -0.02 0.00 -1.56 0.00 0.00 34.95 31.93 1pwc s ARG 29 CO 0.03 0.05 -0.11 0.08 -0.81 0.00 0.00 175.30 174.54 1pwc s VAL 30 N 0.58 3.26 -0.57 7.11 1.01 0.31 -1.62 120.40 130.47 1pwc s VAL 30 Ca -0.13 -0.59 -0.13 0.00 0.00 0.00 0.00 61.98 61.13 1pwc s VAL 30 Cb -0.15 -2.38 0.14 0.00 0.00 0.00 0.00 36.38 34.00 1pwc s VAL 30 CO 0.04 0.52 0.49 -1.81 0.00 0.00 0.00 175.10 174.34 1pwc s ASP 31 N 0.24 6.07 -1.12 3.32 1.01 0.40 -0.67 116.67 125.92 1pwc s ASP 31 Ca -0.07 -2.03 -0.11 0.00 0.71 0.00 0.00 52.55 51.04 1pwc s ASP 31 Cb -0.15 -2.12 0.24 0.00 1.01 0.00 0.00 42.92 41.90 1pwc s ASP 31 CO 0.05 -0.73 1.18 -0.62 0.21 0.00 0.00 175.17 175.26 1pwc s ASP 32 N 2.90 7.20 -1.47 0.27 2.15 0.10 -1.79 116.67 126.03 1pwc s ASP 32 Ca 0.07 -3.33 -0.06 0.00 0.43 0.00 0.00 52.55 49.66 1pwc s ASP 32 Cb -0.25 -2.27 0.05 0.00 -0.30 0.00 0.00 42.92 40.14 1pwc s ASP 32 CO -0.01 -0.46 0.61 -3.20 -0.17 0.00 0.00 175.17 171.95 1pwc n ASN 33 N 3.73 -1.68 0.00 -0.34 5.15 0.16 -1.48 115.26 120.80 1pwc n ASN 33 Ca 0.27 -0.95 0.00 0.00 -0.60 0.00 0.00 54.58 53.30 1pwc n ASN 33 Cb 0.41 -3.25 0.00 0.00 -0.53 0.00 0.00 39.78 36.41 1pwc n ASN 33 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1pwc n GLY 34 N -1.77 0.59 3.40 8.20 0.00 -1.26 -5.05 105.19 109.30 1pwc n GLY 34 Ca -0.18 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.50 1pwc n GLY 34 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1pwc s THR 35 N -2.32 3.51 0.06 2.61 2.01 -0.55 -5.11 115.64 115.86 1pwc s THR 35 Ca 0.00 -0.47 -0.13 0.00 0.31 0.00 0.00 61.69 61.40 1pwc s THR 35 Cb 0.00 -2.55 -0.06 0.00 0.01 0.00 0.00 72.50 69.90 1pwc s THR 35 CO 0.00 0.47 0.44 -0.63 -0.69 0.00 0.00 174.62 174.21 1pwc s ILE 36 N 0.83 5.00 -0.07 1.82 -1.09 -1.26 -0.72 121.20 125.70 1pwc s ILE 36 Ca -0.02 0.71 0.05 0.00 -2.23 0.00 0.00 60.65 59.16 1pwc s ILE 36 Cb -0.15 -3.70 -0.00 0.00 -1.58 0.00 0.00 42.46 37.03 1pwc s ILE 36 CO 0.01 0.40 -0.23 -1.00 -1.23 0.00 0.00 174.94 172.89 1pwc s HIS 37 N -1.28 2.33 -0.12 3.97 3.76 0.16 -4.98 115.29 119.12 1pwc s HIS 37 Ca 0.30 -0.81 -0.06 0.00 -0.15 0.00 0.00 55.06 54.34 1pwc s HIS 37 Cb -0.15 -1.55 0.05 0.00 1.11 0.00 0.00 32.58 32.04 1pwc s HIS 37 CO 0.17 -0.30 0.28 1.14 -0.85 0.00 0.00 174.74 175.18 1pwc s GLN 38 N 0.12 0.22 0.02 1.40 -2.07 -1.26 -0.53 119.66 117.55 1pwc s GLN 38 Ca -0.10 0.64 -0.00 0.00 -1.82 0.00 0.00 55.36 54.08 1pwc s GLN 38 Cb -0.15 -0.07 -0.02 0.00 -1.09 0.00 0.00 33.01 31.68 1pwc s GLN 38 CO 0.06 -0.20 -0.02 -0.51 -1.32 0.00 0.00 175.29 173.30 1pwc s LEU 39 N 1.64 2.16 -0.05 2.60 1.02 -0.52 -5.02 118.68 120.50 1pwc s LEU 39 Ca -0.06 -0.41 -0.19 0.00 0.02 0.00 0.00 54.13 53.49 1pwc s LEU 39 Cb -0.11 0.12 0.04 0.00 0.02 0.00 0.00 46.19 46.26 1pwc s LEU 39 CO -0.09 -0.26 0.42 -0.94 0.02 0.00 0.00 176.35 175.49 1pwc s SER 40 N -1.25 -0.35 -0.02 2.29 1.04 -1.26 -0.82 113.70 113.34 1pwc s SER 40 Ca -0.14 0.39 -0.04 0.00 0.48 0.00 0.00 55.95 56.65 1pwc s SER 40 Cb -0.08 0.48 0.00 0.00 0.10 0.00 0.00 66.02 66.52 1pwc s SER 40 CO -0.01 -0.42 0.08 -0.70 0.98 0.00 0.00 173.24 173.17 1pwc s GLU 41 N -0.98 0.23 0.97 4.02 2.12 0.20 -5.00 118.70 120.26 1pwc s GLU 41 Ca -0.10 -0.13 0.00 0.00 0.36 0.00 0.00 54.97 55.10 1pwc s GLU 41 Cb -0.04 0.10 0.00 0.00 0.26 0.00 0.00 34.13 34.45 1pwc s GLU 41 CO 0.05 -0.04 0.00 0.41 -0.54 0.00 0.00 175.26 175.14 1pwc n GLY 42 N 2.41 -1.11 3.31 -1.50 0.00 -1.26 -1.18 105.19 105.86 1pwc n GLY 42 Ca -0.17 -1.65 -0.31 0.00 0.00 0.00 0.00 46.02 43.89 1pwc n GLY 42 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1pwc s VAL 43 N 0.00 2.04 0.12 1.61 -7.23 -0.17 -1.32 120.40 115.46 1pwc s VAL 43 Ca 0.00 -1.12 -0.04 0.00 -1.81 0.00 0.00 61.98 59.01 1pwc s VAL 43 Cb 0.00 -1.70 -0.20 0.00 0.56 0.00 0.00 36.38 35.05 1pwc s VAL 43 CO 0.00 0.56 1.28 0.00 -0.31 0.00 0.00 175.10 176.63 1pwc h ALA 44 N 5.45 0.33 -3.34 1.32 0.00 -0.72 -3.15 119.26 119.14 1pwc h ALA 44 Ca -0.43 -0.74 -0.53 0.00 0.00 0.00 0.00 54.91 53.21 1pwc h ALA 44 Cb 1.12 -0.02 -0.39 0.00 0.00 0.00 0.00 17.79 18.51 1pwc h ALA 44 CO 0.47 0.84 -0.77 0.34 0.00 0.00 0.00 179.25 180.13 1pwc s ASP 45 N -7.09 2.94 0.48 0.00 -1.08 -1.12 -0.81 116.67 109.99 1pwc s ASP 45 Ca -0.05 -0.79 0.28 0.00 -0.52 0.00 0.00 52.55 51.46 1pwc s ASP 45 Cb 0.09 -0.74 0.86 0.00 -1.46 0.00 0.00 42.92 41.67 1pwc s ASP 45 CO 0.87 -0.26 1.80 0.08 0.52 0.00 0.00 175.17 178.17 1pwc h ARG 46 N 8.18 0.00 0.19 4.34 0.11 -1.87 0.57 114.38 125.89 1pwc h ARG 46 Ca -0.18 0.00 -0.31 0.00 0.10 0.00 0.00 59.98 59.59 1pwc h ARG 46 Cb 1.11 0.00 0.02 0.00 1.11 0.00 0.00 29.97 32.21 1pwc h ARG 46 CO 0.35 0.05 -1.46 0.00 0.10 0.00 0.00 179.97 179.02 1pwc h ALA 47 N 1.95 0.02 0.00 0.08 0.00 -1.98 -3.35 119.26 115.99 1pwc h ALA 47 Ca -0.00 -0.98 0.00 0.00 0.00 0.00 0.00 54.91 53.93 1pwc h ALA 47 Cb 0.77 0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.88 1pwc h ALA 47 CO 0.01 0.78 -0.70 1.79 0.00 0.00 0.00 179.25 181.12 1pwc h THR 48 N -0.04 0.00 0.00 0.00 1.35 -2.00 -3.48 112.91 108.75 1pwc h THR 48 Ca -0.28 -0.89 0.00 0.00 -0.55 0.00 0.00 66.41 64.69 1pwc h THR 48 Cb 1.98 1.51 0.00 0.00 -1.73 0.00 0.00 68.15 69.92 1pwc h THR 48 CO 0.18 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.06 1pwc n GLY 49 N 1.20 0.78 3.72 5.82 0.00 0.17 -5.02 105.19 111.87 1pwc n GLY 49 Ca 0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.62 1pwc n GLY 49 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1pwc s ARG 50 N -0.18 4.16 0.45 1.61 3.52 -1.11 -4.86 118.95 122.54 1pwc s ARG 50 Ca 0.00 2.52 -0.23 0.00 -0.13 0.00 0.00 55.73 57.89 1pwc s ARG 50 Cb 0.00 -3.10 -0.08 0.00 -1.56 0.00 0.00 34.95 30.22 1pwc s ARG 50 CO 0.00 -0.70 1.17 0.00 -0.81 0.00 0.00 175.30 174.96 1pwc s ALA 51 N 1.12 3.01 0.41 6.12 0.00 -1.26 -0.18 121.76 130.97 1pwc s ALA 51 Ca 0.73 0.95 -0.22 0.00 0.00 0.00 0.00 51.96 53.42 1pwc s ALA 51 Cb -0.48 -3.39 -0.10 0.00 0.00 0.00 0.00 23.12 19.16 1pwc s ALA 51 CO 0.32 -0.65 0.97 -1.50 0.00 0.00 0.00 175.76 174.91 1pwc s ILE 52 N -1.51 4.19 0.06 0.00 2.07 -0.43 -4.10 121.20 121.47 1pwc s ILE 52 Ca 0.62 1.50 -0.07 0.00 -1.41 0.00 0.00 60.65 61.29 1pwc s ILE 52 Cb -0.29 -3.69 -0.01 0.00 0.13 0.00 0.00 42.46 38.60 1pwc s ILE 52 CO 0.36 -0.16 0.13 0.28 -1.91 0.00 0.00 174.94 173.64 1pwc s THR 53 N -1.96 0.14 -1.19 4.00 -1.32 -1.26 -4.71 115.64 109.35 1pwc s THR 53 Ca 0.59 -1.17 0.12 0.00 -1.21 0.00 0.00 61.69 60.03 1pwc s THR 53 Cb -0.14 -1.11 0.15 0.00 -1.51 0.00 0.00 72.50 69.89 1pwc s THR 53 CO 0.18 -0.65 1.36 0.35 -2.21 0.00 0.00 174.62 173.66 1pwc n THR 54 N 0.42 0.94 1.31 5.08 -2.24 -1.26 -1.09 114.28 117.43 1pwc n THR 54 Ca -0.17 0.24 0.13 0.00 -2.27 0.00 0.00 64.05 61.98 1pwc n THR 54 Cb 0.60 -1.02 0.40 0.00 -2.10 0.00 0.00 70.33 68.20 1pwc n THR 54 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1pwc n THR 55 N -1.41 0.00 -2.14 4.28 -2.24 -1.26 -4.19 114.28 107.32 1pwc n THR 55 Ca 0.04 -0.19 -0.42 0.00 -2.27 0.00 0.00 64.05 61.22 1pwc n THR 55 Cb 0.12 0.52 -0.03 0.00 -2.10 0.00 0.00 70.33 68.84 1pwc n THR 55 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1pwc s ASP 56 N -2.31 6.80 0.67 3.42 1.01 -0.25 -4.94 116.67 121.07 1pwc s ASP 56 Ca 0.29 2.43 -0.13 0.00 0.71 0.00 0.00 52.55 55.85 1pwc s ASP 56 Cb 0.20 -2.60 0.00 0.00 1.01 0.00 0.00 42.92 41.53 1pwc s ASP 56 CO 0.45 -0.63 1.08 -0.13 0.21 0.00 0.00 175.17 176.15 1pwc s ARG 57 N 0.42 2.87 0.25 8.23 0.52 -0.66 -4.63 118.95 125.96 1pwc s ARG 57 Ca 0.61 1.18 -0.20 0.00 -0.52 0.00 0.00 55.73 56.80 1pwc s ARG 57 Cb -0.38 -1.97 0.02 0.00 0.52 0.00 0.00 34.95 33.14 1pwc s ARG 57 CO 0.35 -1.16 0.65 -0.59 0.02 0.00 0.00 175.30 174.57 1pwc s PHE 58 N -2.67 -0.16 -0.18 -0.53 -0.12 -0.38 -1.04 117.98 112.90 1pwc s PHE 58 Ca 0.62 -0.24 -0.24 0.00 -0.05 0.00 0.00 56.93 57.02 1pwc s PHE 58 Cb -0.17 0.59 -0.02 0.00 -0.63 0.00 0.00 43.02 42.80 1pwc s PHE 58 CO 0.47 -1.12 0.78 1.03 -0.05 0.00 0.00 175.22 176.32 1pwc s ARG 59 N -3.90 4.26 0.00 1.99 0.52 -1.26 -1.28 118.95 119.27 1pwc s ARG 59 Ca 0.11 0.90 0.27 0.00 -0.52 0.00 0.00 55.73 56.48 1pwc s ARG 59 Cb -0.04 -3.58 0.80 0.00 0.52 0.00 0.00 34.95 32.65 1pwc s ARG 59 CO 0.04 -0.32 1.59 1.33 0.02 0.00 0.00 175.30 177.96 1pwc n VAL 60 N 4.77 0.00 -3.06 3.52 0.24 -0.71 -4.82 118.33 118.27 1pwc n VAL 60 Ca 0.03 -0.14 0.00 0.00 -2.04 0.00 0.00 64.34 62.19 1pwc n VAL 60 Cb 0.49 0.39 0.00 0.00 -1.47 0.00 0.00 33.84 33.25 1pwc n VAL 60 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1pwc n GLY 61 N 1.32 3.10 0.00 7.63 0.00 -1.22 -2.49 105.19 113.53 1pwc n GLY 61 Ca 0.13 -0.27 0.08 0.00 0.00 0.00 0.00 46.02 45.96 1pwc n GLY 61 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1pwc n SER 62 N 2.09 0.00 0.19 1.61 7.64 -1.26 -1.19 113.62 122.70 1pwc n SER 62 Ca 0.00 -0.14 0.18 0.00 1.01 0.00 0.00 58.87 59.92 1pwc n SER 62 Cb 0.00 -0.19 0.81 0.00 -1.01 0.00 0.00 64.21 63.83 1pwc n SER 62 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 1pwc h VAL 63 N 0.00 0.44 -0.91 0.44 2.07 -1.35 0.07 116.25 117.02 1pwc h VAL 63 Ca 0.00 0.00 0.23 0.00 0.82 0.00 0.00 66.70 67.75 1pwc h VAL 63 Cb 0.10 0.80 -0.06 0.00 -1.52 0.00 0.00 31.29 30.61 1pwc h VAL 63 CO 0.00 0.00 0.62 0.74 0.02 0.00 0.00 177.57 178.95 1pwc h THR 64 N 0.00 0.62 -0.49 2.57 2.02 -1.38 -1.08 112.91 115.17 1pwc h THR 64 Ca 0.11 -0.09 0.04 0.00 0.77 0.00 0.00 66.41 67.24 1pwc h THR 64 Cb 0.60 0.34 -0.03 0.00 -1.74 0.00 0.00 68.15 67.32 1pwc h THR 64 CO -0.00 0.05 0.33 0.11 0.37 0.00 0.00 175.52 176.37 1pwc h LYS 65 N 0.26 0.50 -0.36 6.66 1.57 -1.15 -0.79 116.57 123.26 1pwc h LYS 65 Ca 0.46 -0.03 -0.11 0.00 -1.87 0.00 0.00 60.65 59.10 1pwc h LYS 65 Cb 1.39 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 33.57 1pwc h LYS 65 CO -0.13 0.33 -0.22 0.77 -0.57 0.00 0.00 179.45 179.63 1pwc h SER 66 N 0.52 0.73 -0.34 0.86 0.02 -1.21 0.63 113.55 114.76 1pwc h SER 66 Ca 0.20 -0.26 -0.03 0.00 -0.84 0.00 0.00 61.79 60.87 1pwc h SER 66 Cb 0.15 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.48 1pwc h SER 66 CO -0.05 0.93 0.11 -0.26 -1.14 0.00 0.00 176.83 176.42 1pwc h PHE 67 N 0.63 0.55 -0.74 3.45 -1.00 -1.25 -1.20 116.94 117.38 1pwc h PHE 67 Ca 0.09 -0.05 0.02 0.00 2.81 0.00 0.00 57.97 60.84 1pwc h PHE 67 Cb 0.72 -0.16 -0.04 0.00 3.61 0.00 0.00 35.95 40.07 1pwc h PHE 67 CO 0.03 0.54 0.47 0.77 -1.61 0.00 0.00 178.31 178.52 1pwc h SER 68 N 0.40 0.79 -0.66 2.17 0.02 -1.02 -2.15 113.55 113.10 1pwc h SER 68 Ca 0.11 -0.01 -0.07 0.00 -0.84 0.00 0.00 61.79 60.99 1pwc h SER 68 Cb 0.25 -0.18 -0.03 0.00 0.14 0.00 0.00 62.40 62.58 1pwc h SER 68 CO -0.00 0.56 0.15 0.00 -1.14 0.00 0.00 176.83 176.40 1pwc h ALA 69 N 1.30 0.87 -0.60 3.77 0.00 -0.73 -1.59 119.26 122.28 1pwc h ALA 69 Ca 0.29 -0.24 0.01 0.00 0.00 0.00 0.00 54.91 54.96 1pwc h ALA 69 Cb -0.03 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.48 1pwc h ALA 69 CO -0.09 0.59 0.39 0.28 0.00 0.00 0.00 179.25 180.42 1pwc h VAL 70 N 0.98 1.14 -0.08 0.00 2.07 -0.90 0.27 116.25 119.73 1pwc h VAL 70 Ca 0.20 -0.27 -0.00 0.00 0.82 0.00 0.00 66.70 67.45 1pwc h VAL 70 Cb 0.37 0.27 -0.00 0.00 -1.52 0.00 0.00 31.29 30.41 1pwc h VAL 70 CO 0.00 0.15 0.05 0.58 0.02 0.00 0.00 177.57 178.37 1pwc h VAL 71 N 0.80 1.04 -0.89 2.57 2.07 -1.06 -0.95 116.25 119.83 1pwc h VAL 71 Ca 0.22 -0.11 0.02 0.00 0.82 0.00 0.00 66.70 67.65 1pwc h VAL 71 Cb -0.08 0.97 -0.05 0.00 -1.52 0.00 0.00 31.29 30.62 1pwc h VAL 71 CO -0.06 0.04 0.59 -0.07 0.02 0.00 0.00 177.57 178.09 1pwc h LEU 72 N 0.08 1.00 -0.82 2.57 3.38 -0.97 -1.13 115.31 119.43 1pwc h LEU 72 Ca 0.03 -0.02 -0.12 0.00 0.09 0.00 0.00 57.88 57.85 1pwc h LEU 72 Cb 0.02 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.51 1pwc h LEU 72 CO -0.01 0.71 -0.56 -0.07 0.09 0.00 0.00 178.44 178.61 1pwc h LEU 73 N 1.18 0.10 -0.81 1.67 3.38 -0.59 -0.64 115.31 119.60 1pwc h LEU 73 Ca 0.34 -0.06 -0.08 0.00 0.09 0.00 0.00 57.88 58.17 1pwc h LEU 73 Cb -0.08 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 40.62 1pwc h LEU 73 CO -0.08 0.64 -0.02 1.56 0.09 0.00 0.00 178.44 180.63 1pwc h GLN 74 N 0.07 0.88 -0.34 1.13 4.20 -0.66 -1.02 115.11 119.37 1pwc h GLN 74 Ca -0.00 -0.26 -0.05 0.00 0.06 0.00 0.00 58.65 58.40 1pwc h GLN 74 Cb 1.01 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 28.68 1pwc h GLN 74 CO 0.08 0.89 -0.01 -0.07 -0.67 0.00 0.00 178.83 179.04 1pwc h LEU 75 N 0.81 0.49 -0.32 1.46 3.38 -0.35 -1.48 115.31 119.30 1pwc h LEU 75 Ca 0.15 -0.10 -0.03 0.00 0.09 0.00 0.00 57.88 58.00 1pwc h LEU 75 Cb 0.51 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.12 1pwc h LEU 75 CO 0.03 0.57 0.09 0.58 0.09 0.00 0.00 178.44 179.80 1pwc h VAL 76 N 0.50 1.21 -0.94 1.22 2.07 -0.63 -0.49 116.25 119.20 1pwc h VAL 76 Ca 0.11 -0.69 0.17 0.00 0.82 0.00 0.00 66.70 67.11 1pwc h VAL 76 Cb 0.35 1.06 -0.08 0.00 -1.52 0.00 0.00 31.29 31.09 1pwc h VAL 76 CO 0.01 0.23 0.60 0.44 0.02 0.00 0.00 177.57 178.88 1pwc h ASP 77 N 0.36 0.65 0.43 0.57 3.32 -0.75 -0.45 116.42 120.54 1pwc h ASP 77 Ca 0.10 0.06 0.00 0.00 0.02 0.00 0.00 57.03 57.21 1pwc h ASP 77 Cb 0.27 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 39.75 1pwc h ASP 77 CO -0.00 0.28 -0.06 -0.62 -1.72 0.00 0.00 179.24 177.12 1pwc n GLU 78 N -4.61 0.59 -0.79 3.56 1.02 -0.60 -4.91 120.64 114.90 1pwc n GLU 78 Ca 0.20 -0.13 0.00 0.00 -0.02 0.00 0.00 57.16 57.21 1pwc n GLU 78 Cb 0.55 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.48 1pwc n GLU 78 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1pwc n GLY 79 N 1.27 0.59 0.18 0.62 0.00 -0.18 -4.93 105.19 102.75 1pwc n GLY 79 Ca 0.15 -0.12 0.12 0.00 0.00 0.00 0.00 46.02 46.17 1pwc n GLY 79 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1pwc n LYS 80 N -2.79 0.51 -3.75 1.61 5.02 -0.25 -4.89 118.16 113.62 1pwc n LYS 80 Ca 0.00 -0.36 -0.12 0.00 -2.02 0.00 0.00 58.31 55.80 1pwc n LYS 80 Cb 0.00 -1.49 -0.12 0.00 -0.02 0.00 0.00 35.03 33.40 1pwc n LYS 80 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 1pwc s LEU 81 N -2.74 0.58 -0.19 -0.35 2.96 -1.21 -4.96 118.68 112.78 1pwc s LEU 81 Ca 0.16 0.63 -0.03 0.00 -0.22 0.00 0.00 54.13 54.67 1pwc s LEU 81 Cb 0.18 1.00 -0.01 0.00 0.50 0.00 0.00 46.19 47.86 1pwc s LEU 81 CO 0.66 -0.13 -0.08 -0.62 -1.32 0.00 0.00 176.35 174.86 1pwc s ASP 82 N 0.65 4.18 0.54 3.68 -1.08 -1.26 -4.21 116.67 119.16 1pwc s ASP 82 Ca -0.04 -0.37 0.19 0.00 -0.52 0.00 0.00 52.55 51.81 1pwc s ASP 82 Cb -0.05 -1.69 1.41 0.00 -1.46 0.00 0.00 42.92 41.12 1pwc s ASP 82 CO -0.04 0.04 2.18 -0.07 0.52 0.00 0.00 175.17 177.80 1pwc h LEU 83 N 7.64 0.00 -2.17 -1.34 3.38 -1.98 -2.02 115.31 118.82 1pwc h LEU 83 Ca -0.37 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.60 1pwc h LEU 83 Cb 1.17 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.92 1pwc h LEU 83 CO 0.60 0.00 0.00 0.47 0.09 0.00 0.00 178.44 179.60 1pwc n ASP 84 N -4.36 3.21 -4.84 -0.43 8.00 -1.26 -0.06 116.55 116.81 1pwc n ASP 84 Ca -0.03 -1.96 -0.32 0.00 0.71 0.00 0.00 54.79 53.19 1pwc n ASP 84 Cb 0.09 -0.30 -0.01 0.00 -0.02 0.00 0.00 41.12 40.89 1pwc n ASP 84 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1pwc s ALA 85 N -1.41 2.97 0.41 2.24 0.00 -0.76 -4.83 121.76 120.37 1pwc s ALA 85 Ca 0.39 0.15 -0.27 0.00 0.00 0.00 0.00 51.96 52.24 1pwc s ALA 85 Cb 0.22 -3.14 -0.10 0.00 0.00 0.00 0.00 23.12 20.10 1pwc s ALA 85 CO 0.30 -0.57 1.47 0.45 0.00 0.00 0.00 175.76 177.41 1pwc n SER 86 N -2.11 3.61 -0.35 0.00 2.88 -1.26 -1.75 113.62 114.63 1pwc n SER 86 Ca 0.07 1.19 0.02 0.00 -1.33 0.00 0.00 58.87 58.82 1pwc n SER 86 Cb 0.54 -1.61 0.18 0.00 -0.75 0.00 0.00 64.21 62.57 1pwc n SER 86 CO 0.00 0.00 0.00 0.58 -1.23 0.00 0.00 175.04 174.39 1pwc h VAL 87 N 2.70 1.11 0.00 2.46 2.07 -1.39 -1.65 116.25 121.55 1pwc h VAL 87 Ca -0.51 -0.40 0.00 0.00 0.82 0.00 0.00 66.70 66.61 1pwc h VAL 87 Cb 1.25 -0.16 0.00 0.00 -1.52 0.00 0.00 31.29 30.86 1pwc h VAL 87 CO 0.63 0.21 0.00 0.78 0.02 0.00 0.00 177.57 179.21 1pwc h ASN 88 N 1.17 0.00 -0.94 0.57 2.35 -1.79 -0.97 115.58 115.97 1pwc h ASN 88 Ca 0.41 0.00 0.08 0.00 -0.55 0.00 0.00 56.30 56.24 1pwc h ASN 88 Cb 0.13 0.00 -0.07 0.00 0.05 0.00 0.00 38.32 38.43 1pwc h ASN 88 CO -0.15 0.00 0.59 0.74 -1.65 0.00 0.00 177.43 176.95 1pwc h THR 89 N 0.00 1.01 0.01 2.81 2.02 -1.65 -2.98 112.91 114.12 1pwc h THR 89 Ca 0.00 -0.35 -0.34 0.00 0.77 0.00 0.00 66.41 66.49 1pwc h THR 89 Cb 0.22 -0.10 -0.06 0.00 -1.74 0.00 0.00 68.15 66.47 1pwc h THR 89 CO 0.00 0.19 -2.12 -1.22 0.37 0.00 0.00 175.52 172.73 1pwc n TYR 90 N -4.60 0.45 -3.64 3.16 4.01 -0.48 -4.67 117.16 111.39 1pwc n TYR 90 Ca 0.15 0.15 -0.27 0.00 -0.16 0.00 0.00 57.90 57.77 1pwc n TYR 90 Cb 0.24 -1.08 -0.10 0.00 -0.31 0.00 0.00 39.34 38.09 1pwc n TYR 90 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 1pwc n LEU 91 N -2.95 2.96 -4.78 7.72 4.77 -0.57 -5.00 117.00 119.16 1pwc n LEU 91 Ca -0.28 -5.23 -0.41 0.00 -0.03 0.00 0.00 56.01 50.06 1pwc n LEU 91 Cb 1.10 -0.57 -0.01 0.00 -2.33 0.00 0.00 43.42 41.62 1pwc n LEU 91 CO 0.42 1.90 1.11 -2.16 -1.33 0.00 0.00 177.39 177.33 1pwc s PRO 92 N -1.77 4.16 0.00 3.23 0.04 -1.13 -1.65 135.00 137.88 1pwc s PRO 92 Ca 0.32 2.50 0.00 0.00 0.04 0.00 0.00 61.00 63.86 1pwc s PRO 92 Cb 0.05 -2.99 0.00 0.00 0.04 0.00 0.00 34.50 31.60 1pwc s PRO 92 CO -0.10 -0.47 0.00 0.41 0.04 0.00 0.00 177.00 176.88 1pwc n GLY 93 N 0.55 0.70 0.14 0.56 0.00 -1.26 -4.91 105.19 100.95 1pwc n GLY 93 Ca 0.01 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.90 1pwc n GLY 93 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1pwc h LEU 94 N 0.00 -0.20 -9.60 0.99 5.85 -1.65 -3.45 115.31 107.25 1pwc h LEU 94 Ca 0.00 -0.29 -0.64 0.00 0.84 0.00 0.00 57.88 57.79 1pwc h LEU 94 Cb 0.05 0.05 -0.10 0.00 0.37 0.00 0.00 40.66 41.04 1pwc h LEU 94 CO 0.00 0.22 -0.61 -0.76 -0.34 0.00 0.00 178.44 176.94 1pwc s LEU 95 N -9.37 3.72 0.00 2.25 1.43 -1.26 -5.02 118.68 110.42 1pwc s LEU 95 Ca -0.14 -0.06 0.17 0.00 -1.03 0.00 0.00 54.13 53.07 1pwc s LEU 95 Cb 0.02 -2.41 0.77 0.00 0.03 0.00 0.00 46.19 44.60 1pwc s LEU 95 CO 0.58 0.17 1.55 -0.81 0.23 0.00 0.00 176.35 178.07 1pwc n PRO 96 N 0.45 0.05 -4.00 1.29 -0.04 -1.26 -4.51 135.00 126.98 1pwc n PRO 96 Ca -0.09 0.19 -0.30 0.00 -0.04 0.00 0.00 63.50 63.26 1pwc n PRO 96 Cb 0.52 -1.50 -0.16 0.00 -0.04 0.00 0.00 33.50 32.32 1pwc n PRO 96 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 1pwc s ASP 97 N -2.92 2.94 0.62 3.54 -1.08 -1.26 -4.99 116.67 113.53 1pwc s ASP 97 Ca 0.10 -0.64 0.42 0.00 -0.52 0.00 0.00 52.55 51.90 1pwc s ASP 97 Cb 0.11 -1.16 2.18 0.00 -1.46 0.00 0.00 42.92 42.59 1pwc s ASP 97 CO 0.31 -0.10 2.26 0.44 0.52 0.00 0.00 175.17 178.60 1pwc h ASP 98 N 8.03 0.00 0.27 -0.34 3.32 -2.02 -3.04 116.42 122.64 1pwc h ASP 98 Ca -0.33 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.72 1pwc h ASP 98 Cb 1.12 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.67 1pwc h ASP 98 CO 0.49 0.00 -0.20 -2.11 -1.72 0.00 0.00 179.24 175.70 1pwc n ARG 99 N -3.02 0.81 -2.23 3.56 1.85 -1.26 -4.63 116.66 111.74 1pwc n ARG 99 Ca -0.02 -0.43 -0.42 0.00 -1.00 0.00 0.00 57.85 55.98 1pwc n ARG 99 Cb 0.11 -1.49 -0.03 0.00 -1.05 0.00 0.00 32.46 30.00 1pwc n ARG 99 CO 0.00 0.00 0.00 0.42 -0.01 0.00 0.00 177.63 178.04 1pwc s ILE 100 N -2.48 3.79 0.35 8.89 1.01 -1.15 -4.88 121.20 126.73 1pwc s ILE 100 Ca 0.26 1.11 0.07 0.00 0.00 0.00 0.00 60.65 62.10 1pwc s ILE 100 Cb 0.20 -3.72 -0.02 0.00 0.01 0.00 0.00 42.46 38.93 1pwc s ILE 100 CO 0.50 -0.03 0.39 0.42 0.00 0.00 0.00 174.94 176.22 1pwc s THR 101 N 2.82 3.59 0.20 2.92 -4.23 -1.26 -1.11 115.64 118.57 1pwc s THR 101 Ca 0.64 -1.20 -0.12 0.00 -1.18 0.00 0.00 61.69 59.84 1pwc s THR 101 Cb -0.30 -3.23 0.12 0.00 1.34 0.00 0.00 72.50 70.43 1pwc s THR 101 CO 0.25 -0.13 1.85 0.58 -0.54 0.00 0.00 174.62 176.63 1pwc h VAL 102 N 1.04 1.18 -0.74 2.29 2.07 -1.26 -1.22 116.25 119.61 1pwc h VAL 102 Ca -0.44 -0.36 -0.00 0.00 0.82 0.00 0.00 66.70 66.71 1pwc h VAL 102 Cb 1.26 0.21 -0.04 0.00 -1.52 0.00 0.00 31.29 31.20 1pwc h VAL 102 CO 0.55 0.18 0.45 -0.09 0.02 0.00 0.00 177.57 178.68 1pwc h ARG 103 N 0.92 1.01 -0.61 1.57 2.43 -0.75 -0.24 114.38 118.70 1pwc h ARG 103 Ca 0.25 -0.09 -0.02 0.00 -0.81 0.00 0.00 59.98 59.31 1pwc h ARG 103 Cb -0.08 -0.21 -0.03 0.00 -0.42 0.00 0.00 29.97 29.23 1pwc h ARG 103 CO -0.05 0.72 0.32 1.96 -1.51 0.00 0.00 179.97 181.41 1pwc h GLN 104 N 1.02 0.85 -0.20 0.20 4.20 -1.72 -2.21 115.11 117.25 1pwc h GLN 104 Ca 0.27 -0.11 0.00 0.00 0.06 0.00 0.00 58.65 58.87 1pwc h GLN 104 Cb -0.03 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 27.57 1pwc h GLN 104 CO -0.05 0.66 0.13 0.28 -0.67 0.00 0.00 178.83 179.18 1pwc h VAL 105 N 0.82 1.07 0.00 -0.54 2.07 -0.70 0.14 116.25 119.12 1pwc h VAL 105 Ca 0.21 -0.15 0.00 0.00 0.82 0.00 0.00 66.70 67.59 1pwc h VAL 105 Cb 0.07 0.81 0.00 0.00 -1.52 0.00 0.00 31.29 30.65 1pwc h VAL 105 CO -0.03 0.06 0.00 0.24 0.02 0.00 0.00 177.57 177.86 1pwc h MET 106 N 0.25 0.00 -0.34 1.57 2.86 -0.78 -2.58 114.93 115.91 1pwc h MET 106 Ca 0.07 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.71 1pwc h MET 106 Cb -0.00 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.66 1pwc h MET 106 CO -0.01 0.00 0.00 -1.13 1.06 0.00 0.00 176.91 176.83 1pwc n SER 107 N -2.83 2.91 -3.18 1.22 3.41 -0.85 -1.48 113.62 112.82 1pwc n SER 107 Ca 0.00 -1.96 -0.22 0.00 -0.26 0.00 0.00 58.87 56.43 1pwc n SER 107 Cb 0.24 -0.23 0.06 0.00 -0.26 0.00 0.00 64.21 64.02 1pwc n SER 107 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1pwc n HIS 108 N 0.58 -2.34 -1.07 7.33 8.25 -0.86 -4.81 115.22 122.30 1pwc n HIS 108 Ca 0.12 0.75 0.08 0.00 -0.26 0.00 0.00 57.72 58.40 1pwc n HIS 108 Cb 0.43 -4.61 0.22 0.00 1.12 0.00 0.00 29.99 27.14 1pwc n HIS 108 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 1pwc n ARG 109 N -4.36 2.28 0.11 -0.41 1.74 0.45 -0.43 116.66 116.03 1pwc n ARG 109 Ca -0.05 -2.80 0.12 0.00 -0.77 0.00 0.00 57.85 54.35 1pwc n ARG 109 Cb 0.58 -1.73 0.10 0.00 -1.02 0.00 0.00 32.46 30.39 1pwc n ARG 109 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 1pwc h SER 110 N 1.15 0.00 0.00 0.55 4.64 -1.78 0.79 113.55 118.89 1pwc h SER 110 Ca 0.02 -0.07 0.00 0.00 -0.47 0.00 0.00 61.79 61.27 1pwc h SER 110 Cb 1.32 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.41 1pwc h SER 110 CO 0.16 0.03 0.00 0.61 -0.87 0.00 0.00 176.83 176.77 1pwc n GLY 111 N 1.22 1.08 3.73 -0.77 0.00 -1.26 -4.44 105.19 104.75 1pwc n GLY 111 Ca 0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.62 1pwc n GLY 111 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1pwc s LEU 112 N 0.00 4.38 0.35 0.99 1.43 -1.26 -0.39 118.68 124.18 1pwc s LEU 112 Ca 0.00 2.54 -0.28 0.00 -1.03 0.00 0.00 54.13 55.36 1pwc s LEU 112 Cb 0.00 -3.60 -0.10 0.00 0.03 0.00 0.00 46.19 42.52 1pwc s LEU 112 CO 0.00 -0.73 1.26 -0.47 0.23 0.00 0.00 176.35 176.65 1pwc s TYR 113 N 0.75 3.07 -0.55 0.29 5.04 -1.26 -4.79 117.35 119.90 1pwc s TYR 113 Ca 0.65 1.47 -0.25 0.00 -2.44 0.00 0.00 57.07 56.49 1pwc s TYR 113 Cb -0.41 -3.59 0.04 0.00 0.35 0.00 0.00 41.96 38.35 1pwc s TYR 113 CO 0.35 -1.67 1.00 0.34 -1.34 0.00 0.00 175.55 174.23 1pwc s ASP 114 N -0.67 6.38 0.59 4.32 -1.08 -1.26 -4.65 116.67 120.30 1pwc s ASP 114 Ca 0.51 -0.20 0.29 0.00 -0.52 0.00 0.00 52.55 52.62 1pwc s ASP 114 Cb -0.37 -2.47 1.65 0.00 -1.46 0.00 0.00 42.92 40.27 1pwc s ASP 114 CO 0.49 -1.28 2.09 0.10 0.52 0.00 0.00 175.17 177.09 1pwc h TYR 115 N 9.35 0.00 0.00 -5.34 -0.00 -1.89 -1.63 116.97 117.45 1pwc h TYR 115 Ca -0.26 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.47 1pwc h TYR 115 Cb 1.07 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.80 1pwc h TYR 115 CO 0.94 0.00 0.00 1.79 -0.00 0.00 0.00 178.16 180.89 1pwc h THR 116 N 0.00 0.00 0.00 -0.90 1.35 -1.94 -1.24 112.91 110.18 1pwc h THR 116 Ca 0.09 -0.36 -0.00 0.00 -0.55 0.00 0.00 66.41 65.59 1pwc h THR 116 Cb 0.51 1.26 -0.00 0.00 -1.73 0.00 0.00 68.15 68.19 1pwc h THR 116 CO -0.00 0.00 -0.00 0.78 -0.25 0.00 0.00 175.52 176.05 1pwc h ASN 117 N 0.00 0.00 0.17 5.36 -0.26 -1.70 -1.95 115.58 117.19 1pwc h ASN 117 Ca 0.00 0.00 -0.26 0.00 -0.56 0.00 0.00 56.30 55.48 1pwc h ASN 117 Cb 0.41 0.00 0.03 0.00 -1.06 0.00 0.00 38.32 37.70 1pwc h ASN 117 CO 0.00 0.00 -1.13 0.44 -1.06 0.00 0.00 177.43 175.68 1pwc h ASP 118 N 0.00 0.70 0.23 5.81 5.19 -1.42 -3.36 116.42 123.57 1pwc h ASP 118 Ca -0.00 -0.90 -0.18 0.00 -0.62 0.00 0.00 57.03 55.33 1pwc h ASP 118 Cb 0.28 -0.23 -0.00 0.00 0.18 0.00 0.00 39.33 39.56 1pwc h ASP 118 CO 0.00 1.54 -0.72 0.24 -3.12 0.00 0.00 179.24 177.18 1pwc h MET 119 N -0.03 0.42 -0.01 3.56 2.86 -1.32 -3.33 114.93 117.08 1pwc h MET 119 Ca -0.19 -0.34 -0.01 0.00 -2.06 0.00 0.00 59.70 57.10 1pwc h MET 119 Cb 1.87 0.07 -0.01 0.00 0.06 0.00 0.00 31.60 33.58 1pwc h MET 119 CO 0.21 0.98 -0.51 1.19 1.06 0.00 0.00 176.91 179.84 1pwc n PHE 120 N -3.85 0.05 -0.05 -0.22 3.72 -0.85 -4.25 117.46 112.01 1pwc n PHE 120 Ca -0.04 -1.50 0.12 0.00 -0.05 0.00 0.00 57.45 55.98 1pwc n PHE 120 Cb 0.70 -0.25 0.53 0.00 -0.94 0.00 0.00 39.48 39.52 1pwc n PHE 120 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1pwc h ALA 121 N 1.02 2.06 -3.23 4.37 0.00 -1.71 -3.34 119.26 118.42 1pwc h ALA 121 Ca 0.00 -0.01 -0.66 0.00 0.00 0.00 0.00 54.91 54.24 1pwc h ALA 121 Cb 1.02 -0.07 -0.28 0.00 0.00 0.00 0.00 17.79 18.47 1pwc h ALA 121 CO 0.01 -0.19 -0.77 -0.65 0.00 0.00 0.00 179.25 177.65 1pwc s GLN 122 N -5.32 3.32 0.02 0.00 -0.21 -1.26 -5.07 119.66 111.13 1pwc s GLN 122 Ca -0.07 -0.70 -0.27 0.00 0.02 0.00 0.00 55.36 54.34 1pwc s GLN 122 Cb 0.19 -2.67 -0.16 0.00 1.00 0.00 0.00 33.01 31.37 1pwc s GLN 122 CO 0.74 0.09 1.19 1.15 -2.12 0.00 0.00 175.29 176.35 1pwc h THR 123 N 5.54 0.21 -0.08 -0.19 2.02 -1.94 0.45 112.91 118.91 1pwc h THR 123 Ca -0.30 -0.34 -0.08 0.00 0.77 0.00 0.00 66.41 66.46 1pwc h THR 123 Cb 1.20 0.28 0.00 0.00 -1.74 0.00 0.00 68.15 67.89 1pwc h THR 123 CO 0.57 0.03 -0.28 0.58 0.37 0.00 0.00 175.52 176.79 1pwc h VAL 124 N -1.10 1.42 -0.95 3.16 2.07 -1.94 -1.58 116.25 117.32 1pwc h VAL 124 Ca -0.08 -1.65 0.09 0.00 0.82 0.00 0.00 66.70 65.88 1pwc h VAL 124 Cb 0.68 2.27 -0.07 0.00 -1.52 0.00 0.00 31.29 32.65 1pwc h VAL 124 CO 0.14 0.47 0.61 -0.65 0.02 0.00 0.00 177.57 178.16 1pwc h PRO 125 N -0.16 0.97 -0.62 1.57 0.11 -1.97 0.69 132.00 132.60 1pwc h PRO 125 Ca -0.01 -0.06 -0.08 0.00 0.11 0.00 0.00 66.00 65.96 1pwc h PRO 125 Cb 0.91 -0.22 -0.02 0.00 0.11 0.00 0.00 31.00 31.77 1pwc h PRO 125 CO 0.06 0.64 0.07 0.78 -0.21 0.00 0.00 178.00 179.34 1pwc h GLY 126 N 1.00 1.13 0.99 -0.55 0.00 -0.83 -0.12 103.07 104.70 1pwc h GLY 126 Ca 0.44 -0.78 0.00 0.00 0.00 0.00 0.00 47.33 46.99 1pwc h GLY 126 CO -0.20 0.72 0.17 -2.75 0.00 0.00 0.00 176.54 174.49 1pwc h PHE 127 N 0.96 0.32 0.00 5.60 3.57 -0.58 -1.76 116.94 125.05 1pwc h PHE 127 Ca 0.18 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.68 1pwc h PHE 127 Cb 0.48 -0.11 -0.00 0.00 2.79 0.00 0.00 35.95 39.11 1pwc h PHE 127 CO 0.04 0.20 -0.06 1.49 -2.23 0.00 0.00 178.31 177.75 1pwc h GLU 128 N 0.35 0.00 0.25 1.11 4.81 -0.51 0.07 114.58 120.66 1pwc h GLU 128 Ca 0.10 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.32 1pwc h GLU 128 Cb -0.03 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.35 1pwc h GLU 128 CO -0.03 0.06 -0.12 0.77 -0.73 0.00 0.00 179.01 178.96 1pwc h SER 129 N 0.00 -0.29 0.30 1.04 0.02 -0.37 -3.36 113.55 110.89 1pwc h SER 129 Ca -0.00 -0.10 0.00 0.00 -0.84 0.00 0.00 61.79 60.85 1pwc h SER 129 Cb 0.12 0.07 0.00 0.00 0.14 0.00 0.00 62.40 62.73 1pwc h SER 129 CO 0.01 -0.08 -1.37 1.33 -1.14 0.00 0.00 176.83 175.59 1pwc n VAL 130 N -5.17 0.15 0.21 2.27 0.24 -0.72 -4.58 118.33 110.73 1pwc n VAL 130 Ca -0.09 -0.34 0.06 0.00 -2.04 0.00 0.00 64.34 61.92 1pwc n VAL 130 Cb 0.20 0.17 0.52 0.00 -1.47 0.00 0.00 33.84 33.26 1pwc n VAL 130 CO 0.00 0.00 0.00 0.08 -2.14 0.00 0.00 176.83 174.77 1pwc h ARG 131 N 0.00 0.06 -0.21 7.34 0.11 -1.14 -1.87 114.38 118.66 1pwc h ARG 131 Ca 0.00 -0.01 0.00 0.00 0.10 0.00 0.00 59.98 60.07 1pwc h ARG 131 Cb 0.83 -0.01 0.00 0.00 1.11 0.00 0.00 29.97 31.90 1pwc h ARG 131 CO 0.00 0.16 0.00 0.27 0.10 0.00 0.00 179.97 180.50 1pwc n ASN 132 N -4.39 3.41 -4.88 0.08 6.94 -1.26 -0.95 115.26 114.21 1pwc n ASN 132 Ca -0.02 -2.86 -0.32 0.00 -0.02 0.00 0.00 54.58 51.35 1pwc n ASN 132 Cb 0.19 -0.46 -0.05 0.00 -2.36 0.00 0.00 39.78 37.10 1pwc n ASN 132 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 1pwc s LYS 133 N -2.53 3.70 -0.19 -3.83 1.02 -0.70 -5.00 119.74 112.20 1pwc s LYS 133 Ca 0.36 0.07 -0.02 0.00 0.02 0.00 0.00 55.97 56.40 1pwc s LYS 133 Cb 0.29 -2.84 -0.00 0.00 -0.52 0.00 0.00 37.83 34.76 1pwc s LYS 133 CO 0.08 0.45 -0.10 0.08 -0.92 0.00 0.00 175.35 174.95 1pwc s VAL 134 N -1.63 2.96 0.02 3.17 1.01 -1.26 -4.41 120.40 120.26 1pwc s VAL 134 Ca 0.41 -0.64 0.03 0.00 0.00 0.00 0.00 61.98 61.77 1pwc s VAL 134 Cb -0.12 -2.31 -0.04 0.00 0.00 0.00 0.00 36.38 33.91 1pwc s VAL 134 CO 0.22 0.47 -0.02 -0.36 0.00 0.00 0.00 175.10 175.41 1pwc s PHE 135 N 1.20 3.00 0.68 5.22 0.08 -1.26 -5.10 117.98 121.80 1pwc s PHE 135 Ca 0.02 0.02 -0.11 0.00 0.12 0.00 0.00 56.93 56.98 1pwc s PHE 135 Cb -0.14 -1.62 -0.00 0.00 -0.57 0.00 0.00 43.02 40.68 1pwc s PHE 135 CO -0.04 0.44 1.06 -1.54 -0.10 0.00 0.00 175.22 175.04 1pwc s SER 136 N -1.65 5.63 0.18 1.36 1.04 -1.26 -4.96 113.70 114.03 1pwc s SER 136 Ca 0.20 1.36 -0.13 0.00 0.48 0.00 0.00 55.95 57.86 1pwc s SER 136 Cb -0.11 -2.27 0.17 0.00 0.10 0.00 0.00 66.02 63.91 1pwc s SER 136 CO 0.11 -1.25 1.72 1.88 0.98 0.00 0.00 173.24 176.68 1pwc h TYR 137 N -0.59 0.17 -0.68 5.02 -1.99 -1.96 -2.17 116.97 114.78 1pwc h TYR 137 Ca -0.45 0.03 0.03 0.00 2.00 0.00 0.00 58.73 60.34 1pwc h TYR 137 Cb 1.22 -0.00 -0.04 0.00 2.00 0.00 0.00 36.73 39.91 1pwc h TYR 137 CO 0.58 0.01 0.45 0.37 -0.00 0.00 0.00 178.16 179.57 1pwc h GLN 138 N 0.24 0.82 -0.76 4.88 5.75 -1.96 -1.50 115.11 122.58 1pwc h GLN 138 Ca 0.24 -0.05 0.07 0.00 -0.15 0.00 0.00 58.65 58.75 1pwc h GLN 138 Cb 0.30 -0.18 -0.06 0.00 1.07 0.00 0.00 27.48 28.61 1pwc h GLN 138 CO -0.30 0.54 0.44 -0.44 -2.65 0.00 0.00 178.83 176.42 1pwc h ASP 139 N 0.84 0.65 -0.40 -0.69 3.32 -1.77 0.54 116.42 118.92 1pwc h ASP 139 Ca 0.27 0.03 -0.15 0.00 0.02 0.00 0.00 57.03 57.19 1pwc h ASP 139 Cb 0.02 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 39.47 1pwc h ASP 139 CO -0.07 0.41 -0.35 -0.07 -1.72 0.00 0.00 179.24 177.44 1pwc h LEU 140 N 0.79 0.99 -0.34 1.55 3.38 -1.11 -1.71 115.31 118.86 1pwc h LEU 140 Ca 0.34 -0.45 0.01 0.00 0.09 0.00 0.00 57.88 57.87 1pwc h LEU 140 Cb 0.23 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 1pwc h LEU 140 CO -0.20 1.24 0.22 0.40 0.09 0.00 0.00 178.44 180.19 1pwc h ILE 141 N 0.76 1.07 -0.86 1.22 2.04 -0.88 -1.85 117.51 119.01 1pwc h ILE 141 Ca 0.07 -0.15 0.04 0.00 1.00 0.00 0.00 64.86 65.82 1pwc h ILE 141 Cb 0.94 0.59 -0.05 0.00 -0.74 0.00 0.00 36.82 37.55 1pwc h ILE 141 CO 0.09 0.08 0.55 0.74 0.00 0.00 0.00 178.15 179.61 1pwc h THR 142 N 0.44 1.11 -0.56 -0.27 2.02 -0.78 -0.40 112.91 114.48 1pwc h THR 142 Ca 0.13 -0.36 0.03 0.00 0.77 0.00 0.00 66.41 66.97 1pwc h THR 142 Cb -0.03 -0.03 -0.04 0.00 -1.74 0.00 0.00 68.15 66.31 1pwc h THR 142 CO -0.04 0.19 0.33 -0.07 0.37 0.00 0.00 175.52 176.30 1pwc h LEU 143 N 1.05 0.53 -0.30 2.58 3.38 -0.94 -2.18 115.31 119.45 1pwc h LEU 143 Ca 0.35 0.01 0.01 0.00 0.09 0.00 0.00 57.88 58.34 1pwc h LEU 143 Cb 0.05 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.67 1pwc h LEU 143 CO -0.13 0.37 0.17 -1.28 0.09 0.00 0.00 178.44 177.66 1pwc h SER 144 N 0.66 0.27 0.72 -0.43 0.87 -0.63 -3.06 113.55 111.94 1pwc h SER 144 Ca 0.23 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.79 1pwc h SER 144 Cb 0.03 -0.05 0.00 0.00 -0.44 0.00 0.00 62.40 61.94 1pwc h SER 144 CO -0.10 0.20 0.00 0.18 -0.53 0.00 0.00 176.83 176.58 1pwc n LEU 145 N -4.93 0.23 0.28 2.23 4.77 -0.23 -1.47 117.00 117.89 1pwc n LEU 145 Ca -0.01 0.55 0.18 0.00 -0.03 0.00 0.00 56.01 56.70 1pwc n LEU 145 Cb 0.05 -0.50 0.97 0.00 -2.33 0.00 0.00 43.42 41.60 1pwc n LEU 145 CO 0.32 -0.28 1.15 0.11 -1.33 0.00 0.00 177.39 177.37 1pwc h LYS 146 N 0.00 0.00 -0.08 3.23 1.57 -1.30 -2.75 116.57 117.24 1pwc h LYS 146 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1pwc h LYS 146 Cb 0.36 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.67 1pwc h LYS 146 CO 0.00 0.00 0.00 0.72 -0.57 0.00 0.00 179.45 179.60 1pwc n HIS 147 N -3.50 0.08 -4.93 -1.35 8.25 -0.54 -5.09 115.22 108.14 1pwc n HIS 147 Ca -0.01 -0.04 0.00 0.00 -0.26 0.00 0.00 57.72 57.41 1pwc n HIS 147 Cb 0.20 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.31 1pwc n HIS 147 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1pwc n GLY 148 N 1.31 0.88 3.49 -1.41 0.00 -1.04 -4.86 105.19 103.55 1pwc n GLY 148 Ca 0.16 -0.73 -0.25 0.00 0.00 0.00 0.00 46.02 45.21 1pwc n GLY 148 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1pwc s VAL 149 N 0.00 2.61 -0.72 1.61 -7.23 -1.26 -4.07 120.40 111.33 1pwc s VAL 149 Ca 0.00 -2.21 0.23 0.00 -1.81 0.00 0.00 61.98 58.19 1pwc s VAL 149 Cb 0.00 -2.34 -0.09 0.00 0.56 0.00 0.00 36.38 34.51 1pwc s VAL 149 CO 0.00 -0.31 1.10 0.35 -0.31 0.00 0.00 175.10 175.94 1pwc n THR 150 N -0.39 0.13 -3.62 5.32 -2.24 0.48 -4.97 114.28 108.99 1pwc n THR 150 Ca -0.07 -0.18 -0.08 0.00 -2.27 0.00 0.00 64.05 61.44 1pwc n THR 150 Cb 0.59 0.27 -0.02 0.00 -2.10 0.00 0.00 70.33 69.07 1pwc n THR 150 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1pwc s ASN 151 N -3.69 -0.37 0.69 3.42 4.22 -1.26 -5.06 114.94 112.88 1pwc s ASN 151 Ca 0.06 -0.25 -0.17 0.00 -2.14 0.00 0.00 52.86 50.36 1pwc s ASN 151 Cb 0.15 0.58 0.01 0.00 1.28 0.00 0.00 41.25 43.27 1pwc s ASN 151 CO 0.78 -1.01 1.27 0.00 -2.04 0.00 0.00 177.10 176.11 1pwc s ALA 152 N -3.61 2.23 0.20 3.54 0.00 -1.26 -4.40 121.76 118.46 1pwc s ALA 152 Ca 0.07 1.13 -0.32 0.00 0.00 0.00 0.00 51.96 52.83 1pwc s ALA 152 Cb -0.03 -3.54 -0.12 0.00 0.00 0.00 0.00 23.12 19.43 1pwc s ALA 152 CO -0.04 -1.79 1.70 -2.30 0.00 0.00 0.00 175.76 173.33 1pwc n PRO 153 N -2.28 2.66 -0.02 0.00 -0.02 -1.26 -1.59 135.00 132.49 1pwc n PRO 153 Ca 0.15 0.96 0.00 0.00 -2.02 0.00 0.00 63.50 62.59 1pwc n PRO 153 Cb 0.49 -2.79 0.00 0.00 -0.02 0.00 0.00 33.50 31.18 1pwc n PRO 153 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1pwc n GLY 154 N 3.87 2.59 0.21 -1.23 0.00 0.27 -4.91 105.19 105.98 1pwc n GLY 154 Ca 0.16 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.29 1pwc n GLY 154 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pwc h ALA 155 N 0.00 0.94 -2.47 4.61 0.00 -1.39 -3.47 119.26 117.47 1pwc h ALA 155 Ca 0.00 -0.04 -0.10 0.00 0.00 0.00 0.00 54.91 54.77 1pwc h ALA 155 Cb 0.00 -0.00 -0.22 0.00 0.00 0.00 0.00 17.79 17.56 1pwc h ALA 155 CO 0.00 0.05 -0.12 0.00 0.00 0.00 0.00 179.25 179.18 1pwc s ALA 156 N -3.20 -1.20 -0.08 0.00 0.00 -1.26 -5.00 121.76 111.02 1pwc s ALA 156 Ca 0.06 1.17 -0.30 0.00 0.00 0.00 0.00 51.96 52.90 1pwc s ALA 156 Cb 0.06 -0.53 -0.02 0.00 0.00 0.00 0.00 23.12 22.63 1pwc s ALA 156 CO 0.69 -0.25 1.01 -0.47 0.00 0.00 0.00 175.76 176.73 1pwc s TYR 157 N -0.23 3.52 -0.27 0.00 5.04 -1.26 -4.23 117.35 119.92 1pwc s TYR 157 Ca -0.04 1.59 -0.00 0.00 -2.44 0.00 0.00 57.07 56.18 1pwc s TYR 157 Cb -0.03 -3.19 0.14 0.00 0.35 0.00 0.00 41.96 39.23 1pwc s TYR 157 CO 0.03 -0.25 0.37 0.45 -1.34 0.00 0.00 175.55 174.81 1pwc s SER 158 N 1.10 0.58 0.28 4.32 0.15 0.43 -5.02 113.70 115.54 1pwc s SER 158 Ca 0.49 -0.22 -0.30 0.00 0.70 0.00 0.00 55.95 56.62 1pwc s SER 158 Cb -0.19 0.99 -0.12 0.00 -1.71 0.00 0.00 66.02 64.99 1pwc s SER 158 CO 0.20 -0.34 1.57 0.00 1.20 0.00 0.00 173.24 175.87 1pwc n TYR 159 N 5.35 2.74 -3.67 3.44 9.36 -1.26 -4.69 117.16 128.43 1pwc n TYR 159 Ca -0.02 0.27 -0.10 0.00 3.32 0.00 0.00 57.90 61.38 1pwc n TYR 159 Cb 0.49 -2.58 -0.11 0.00 -0.63 0.00 0.00 39.34 36.52 1pwc n TYR 159 CO 0.00 0.00 0.00 0.45 0.22 0.00 0.00 176.86 177.53 1pwc s SER 160 N 0.49 -0.22 0.51 2.98 0.15 -1.26 -4.82 113.70 111.53 1pwc s SER 160 Ca 0.65 0.87 0.23 0.00 0.70 0.00 0.00 55.95 58.40 1pwc s SER 160 Cb -0.52 1.03 1.33 0.00 -1.71 0.00 0.00 66.02 66.15 1pwc s SER 160 CO 0.48 -0.22 2.00 0.78 1.20 0.00 0.00 173.24 177.48 1pwc h ASN 161 N 7.86 0.07 -0.85 5.45 2.35 -1.92 -1.66 115.58 126.87 1pwc h ASN 161 Ca -0.22 0.00 0.13 0.00 -0.55 0.00 0.00 56.30 55.66 1pwc h ASN 161 Cb 1.13 -0.01 -0.06 0.00 0.05 0.00 0.00 38.32 39.43 1pwc h ASN 161 CO 0.18 0.04 0.55 0.74 -1.65 0.00 0.00 177.43 177.29 1pwc h THR 162 N 0.07 0.87 -0.79 2.81 2.02 -1.89 -0.46 112.91 115.55 1pwc h THR 162 Ca 0.25 -0.24 0.05 0.00 0.77 0.00 0.00 66.41 67.24 1pwc h THR 162 Cb 0.90 0.12 -0.05 0.00 -1.74 0.00 0.00 68.15 67.38 1pwc h THR 162 CO -0.02 0.13 0.52 0.78 0.37 0.00 0.00 175.52 177.29 1pwc h ASN 163 N 0.69 0.80 0.12 4.18 -0.26 -1.60 -0.76 115.58 118.75 1pwc h ASN 163 Ca 0.42 -0.00 0.00 0.00 -0.56 0.00 0.00 56.30 56.15 1pwc h ASN 163 Cb 0.64 -0.18 0.00 0.00 -1.06 0.00 0.00 38.32 37.72 1pwc h ASN 163 CO -0.18 0.54 -0.32 0.49 -1.06 0.00 0.00 177.43 176.89 1pwc n PHE 164 N -4.46 0.00 -0.03 1.19 3.01 -0.23 -1.67 117.46 115.27 1pwc n PHE 164 Ca 0.11 0.00 -0.13 0.00 1.01 0.00 0.00 57.45 58.44 1pwc n PHE 164 Cb 0.16 -0.07 -0.08 0.00 -0.01 0.00 0.00 39.48 39.48 1pwc n PHE 164 CO 0.00 0.00 0.00 0.28 1.01 0.00 0.00 176.76 178.05 1pwc h VAL 165 N 1.81 1.34 -0.78 -4.37 2.07 -0.90 -2.31 116.25 113.11 1pwc h VAL 165 Ca 0.00 -1.11 0.09 0.00 0.82 0.00 0.00 66.70 66.49 1pwc h VAL 165 Cb 0.61 1.91 -0.07 0.00 -1.52 0.00 0.00 31.29 32.22 1pwc h VAL 165 CO 0.00 0.31 0.43 0.58 0.02 0.00 0.00 177.57 178.91 1pwc h VAL 166 N -0.21 0.90 -0.35 2.57 2.07 -1.04 -1.44 116.25 118.76 1pwc h VAL 166 Ca 0.02 -0.25 0.06 0.00 0.82 0.00 0.00 66.70 67.34 1pwc h VAL 166 Cb 0.52 0.10 -0.05 0.00 -1.52 0.00 0.00 31.29 30.34 1pwc h VAL 166 CO 0.01 0.13 0.03 0.00 0.02 0.00 0.00 177.57 177.77 1pwc h ALA 167 N 1.43 0.34 -0.67 1.67 0.00 -1.24 -0.05 119.26 120.75 1pwc h ALA 167 Ca 0.37 0.08 0.02 0.00 0.00 0.00 0.00 54.91 55.39 1pwc h ALA 167 Cb 0.34 0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.22 1pwc h ALA 167 CO -0.24 -0.37 0.43 0.78 0.00 0.00 0.00 179.25 179.84 1pwc h GLY 168 N 0.14 0.97 1.03 0.00 0.00 -0.79 -1.05 103.07 103.36 1pwc h GLY 168 Ca 0.17 -0.33 -0.02 0.00 0.00 0.00 0.00 47.33 47.16 1pwc h GLY 168 CO -0.25 0.29 0.50 1.98 0.00 0.00 0.00 176.54 179.05 1pwc h MET 169 N 0.84 1.25 -0.52 4.80 -1.53 -0.58 -0.71 114.93 118.48 1pwc h MET 169 Ca 0.27 -0.14 -0.08 0.00 -3.44 0.00 0.00 59.70 56.30 1pwc h MET 169 Cb -0.01 -0.25 -0.02 0.00 -0.55 0.00 0.00 31.60 30.78 1pwc h MET 169 CO -0.09 0.91 0.00 -0.07 0.14 0.00 0.00 176.91 177.80 1pwc h LEU 170 N 1.25 0.89 -0.17 3.39 3.38 -0.73 -0.25 115.31 123.08 1pwc h LEU 170 Ca 0.32 -0.30 0.02 0.00 0.09 0.00 0.00 57.88 58.00 1pwc h LEU 170 Cb 0.02 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.51 1pwc h LEU 170 CO -0.05 0.98 0.06 0.40 0.09 0.00 0.00 178.44 179.92 1pwc h ILE 171 N 0.78 0.96 -0.23 1.22 2.04 -0.78 -0.79 117.51 120.71 1pwc h ILE 171 Ca 0.15 -0.05 -0.14 0.00 1.00 0.00 0.00 64.86 65.82 1pwc h ILE 171 Cb 0.52 0.81 -0.01 0.00 -0.74 0.00 0.00 36.82 37.40 1pwc h ILE 171 CO 0.03 0.03 -0.45 -0.33 0.00 0.00 0.00 178.15 177.43 1pwc h GLU 172 N 0.14 0.58 -0.20 2.37 5.08 -0.97 -1.96 114.58 119.62 1pwc h GLU 172 Ca 0.07 -0.32 -0.07 0.00 -1.00 0.00 0.00 59.36 58.04 1pwc h GLU 172 Cb 0.04 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.30 1pwc h GLU 172 CO -0.07 0.91 -0.16 -0.22 -1.00 0.00 0.00 179.01 178.47 1pwc h LYS 173 N 0.47 0.46 0.00 2.33 1.63 -0.89 -0.80 116.57 119.77 1pwc h LYS 173 Ca 0.03 -0.23 -0.11 0.00 -0.85 0.00 0.00 60.65 59.50 1pwc h LYS 173 Cb 0.96 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 32.58 1pwc h LYS 173 CO 0.09 0.79 -0.51 -0.07 -3.45 0.00 0.00 179.45 176.30 1pwc h LEU 174 N 0.14 0.00 0.00 5.20 3.38 -1.08 -3.26 115.31 119.70 1pwc h LEU 174 Ca 0.04 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.94 1pwc h LEU 174 Cb 0.68 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.42 1pwc h LEU 174 CO 0.04 0.51 -1.81 0.35 0.09 0.00 0.00 178.44 177.62 1pwc n THR 175 N -3.45 0.45 -1.04 0.22 -2.24 -0.74 -4.97 114.28 102.49 1pwc n THR 175 Ca 0.00 -0.58 -0.02 0.00 -2.27 0.00 0.00 64.05 61.19 1pwc n THR 175 Cb 0.63 -0.21 -0.01 0.00 -2.10 0.00 0.00 70.33 68.64 1pwc n THR 175 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1pwc n GLY 176 N 1.33 0.42 3.45 3.38 0.00 -0.31 -5.00 105.19 108.46 1pwc n GLY 176 Ca -0.08 -0.10 -0.22 0.00 0.00 0.00 0.00 46.02 45.62 1pwc n GLY 176 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1pwc s HIS 177 N -1.70 2.01 0.62 1.61 3.76 -1.23 -5.06 115.29 115.31 1pwc s HIS 177 Ca 0.00 -0.76 -0.15 0.00 -0.15 0.00 0.00 55.06 54.00 1pwc s HIS 177 Cb 0.00 -1.22 -0.02 0.00 1.11 0.00 0.00 32.58 32.45 1pwc s HIS 177 CO 0.00 0.23 1.07 -1.54 -0.85 0.00 0.00 174.74 173.65 1pwc s SER 178 N -3.48 5.56 0.37 1.40 1.04 -1.26 -4.20 113.70 113.12 1pwc s SER 178 Ca 0.32 1.84 0.05 0.00 0.48 0.00 0.00 55.95 58.64 1pwc s SER 178 Cb 0.06 -2.53 0.73 0.00 0.10 0.00 0.00 66.02 64.37 1pwc s SER 178 CO 0.13 -1.32 2.00 -0.37 0.98 0.00 0.00 173.24 174.66 1pwc h VAL 179 N 0.19 1.09 -0.69 5.02 -1.51 -1.93 -2.06 116.25 116.36 1pwc h VAL 179 Ca -0.46 -0.26 0.03 0.00 -1.23 0.00 0.00 66.70 64.78 1pwc h VAL 179 Cb 1.23 0.28 -0.04 0.00 -2.13 0.00 0.00 31.29 30.62 1pwc h VAL 179 CO 0.56 0.14 0.43 0.00 -1.23 0.00 0.00 177.57 177.47 1pwc h ALA 180 N 1.64 0.90 -0.50 5.19 0.00 -1.92 0.17 119.26 124.74 1pwc h ALA 180 Ca 0.24 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.13 1pwc h ALA 180 Cb 0.05 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 1pwc h ALA 180 CO -0.06 0.20 0.29 1.15 0.00 0.00 0.00 179.25 180.83 1pwc h THR 181 N 0.84 1.16 -0.35 0.00 2.02 -1.79 -0.75 112.91 114.05 1pwc h THR 181 Ca 0.28 -0.37 -0.07 0.00 0.77 0.00 0.00 66.41 67.01 1pwc h THR 181 Cb 0.02 0.50 -0.01 0.00 -1.74 0.00 0.00 68.15 66.92 1pwc h THR 181 CO -0.11 0.16 -0.07 -0.33 0.37 0.00 0.00 175.52 175.55 1pwc h GLU 182 N 0.67 0.66 -0.57 6.66 4.39 -0.85 -0.14 114.58 125.40 1pwc h GLU 182 Ca 0.18 -0.25 0.02 0.00 0.34 0.00 0.00 59.36 59.66 1pwc h GLU 182 Cb 0.01 -0.04 -0.04 0.00 -0.10 0.00 0.00 28.75 28.58 1pwc h GLU 182 CO -0.03 0.82 0.35 1.88 -1.16 0.00 0.00 179.01 180.87 1pwc h TYR 183 N 0.45 0.66 -0.12 4.33 0.05 -0.59 -0.94 116.97 120.81 1pwc h TYR 183 Ca 0.09 0.02 -0.01 0.00 0.05 0.00 0.00 58.73 58.88 1pwc h TYR 183 Cb 0.56 -0.22 -0.01 0.00 1.01 0.00 0.00 36.73 38.08 1pwc h TYR 183 CO 0.05 0.38 0.05 0.37 -1.05 0.00 0.00 178.16 177.96 1pwc h GLN 184 N 0.70 0.17 -0.01 4.88 5.75 -0.81 0.49 115.11 126.29 1pwc h GLN 184 Ca 0.23 -0.03 -0.18 0.00 -0.15 0.00 0.00 58.65 58.52 1pwc h GLN 184 Cb 0.01 -0.03 -0.01 0.00 1.07 0.00 0.00 27.48 28.51 1pwc h GLN 184 CO -0.09 0.25 -0.82 -0.91 -2.65 0.00 0.00 178.83 174.61 1pwc h ASN 185 N 0.05 0.18 0.33 -0.69 -0.26 -0.91 0.33 115.58 114.62 1pwc h ASN 185 Ca 0.04 -0.14 0.00 0.00 -0.56 0.00 0.00 56.30 55.64 1pwc h ASN 185 Cb 0.14 -0.05 0.00 0.00 -1.06 0.00 0.00 38.32 37.34 1pwc h ASN 185 CO -0.00 0.92 -1.51 0.54 -1.06 0.00 0.00 177.43 176.31 1pwc n ARG 186 N -3.67 0.54 0.12 0.81 1.74 -0.37 -4.49 116.66 111.33 1pwc n ARG 186 Ca -0.03 -0.07 0.00 0.00 -0.77 0.00 0.00 57.85 56.98 1pwc n ARG 186 Cb 0.77 -1.61 0.00 0.00 -1.02 0.00 0.00 32.46 30.60 1pwc n ARG 186 CO 0.00 0.00 0.00 -0.89 -1.52 0.00 0.00 177.63 175.22 1pwc n ILE 187 N -2.27 0.34 -0.08 0.55 5.41 -0.36 -4.78 119.36 118.18 1pwc n ILE 187 Ca -0.01 0.11 -0.12 0.00 1.00 0.00 0.00 62.75 63.73 1pwc n ILE 187 Cb 0.53 -0.82 -0.05 0.00 -0.71 0.00 0.00 39.64 38.59 1pwc n ILE 187 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 176.55 176.29 1pwc h PHE 188 N 0.00 0.52 0.15 1.39 0.04 -0.87 -2.18 116.94 115.98 1pwc h PHE 188 Ca 0.00 -0.11 -0.01 0.00 2.80 0.00 0.00 57.97 60.65 1pwc h PHE 188 Cb 0.01 -0.13 0.00 0.00 2.20 0.00 0.00 35.95 38.04 1pwc h PHE 188 CO 0.00 0.68 -0.07 1.15 -0.60 0.00 0.00 178.31 179.47 1pwc h THR 189 N 0.20 0.98 -0.49 -1.55 2.02 -1.16 0.40 112.91 113.30 1pwc h THR 189 Ca 0.06 -0.98 0.08 0.00 0.77 0.00 0.00 66.41 66.34 1pwc h THR 189 Cb 0.51 1.55 -0.03 0.00 -1.74 0.00 0.00 68.15 68.44 1pwc h THR 189 CO 0.02 0.22 0.33 -0.65 0.37 0.00 0.00 175.52 175.81 1pwc h PRO 190 N -0.71 0.34 -0.10 6.66 0.11 -1.76 -0.91 132.00 135.63 1pwc h PRO 190 Ca -0.02 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.07 1pwc h PRO 190 Cb 0.51 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 31.54 1pwc h PRO 190 CO 0.03 0.22 0.00 1.28 -0.21 0.00 0.00 178.00 179.33 1pwc n LEU 191 N -4.47 2.18 -3.72 2.35 4.77 -0.82 -4.97 117.00 112.31 1pwc n LEU 191 Ca 0.07 -0.80 -0.22 0.00 -0.03 0.00 0.00 56.01 55.03 1pwc n LEU 191 Cb 0.31 -0.06 0.03 0.00 -2.33 0.00 0.00 43.42 41.37 1pwc n LEU 191 CO 0.34 0.40 -0.06 -3.20 -1.33 0.00 0.00 177.39 173.54 1pwc n ASN 192 N 0.68 -1.37 -4.51 -1.43 4.05 -0.35 -4.89 115.26 107.44 1pwc n ASN 192 Ca 0.17 -0.82 -0.44 0.00 0.45 0.00 0.00 54.58 53.94 1pwc n ASN 192 Cb 0.44 -4.01 -0.00 0.00 1.23 0.00 0.00 39.78 37.45 1pwc n ASN 192 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 177.26 173.45 1pwc s LEU 193 N -6.73 4.53 0.09 1.20 1.43 0.04 -4.80 118.68 114.45 1pwc s LEU 193 Ca 0.05 -2.76 0.21 0.00 -1.03 0.00 0.00 54.13 50.60 1pwc s LEU 193 Cb -0.02 -2.48 0.85 0.00 0.03 0.00 0.00 46.19 44.57 1pwc s LEU 193 CO 0.82 -0.93 1.65 0.35 0.23 0.00 0.00 176.35 178.47 1pwc n THR 194 N 5.37 0.73 -0.34 5.49 -2.24 -1.26 -1.97 114.28 120.07 1pwc n THR 194 Ca 0.42 0.14 0.09 0.00 -2.27 0.00 0.00 64.05 62.43 1pwc n THR 194 Cb 0.44 -0.91 0.27 0.00 -2.10 0.00 0.00 70.33 68.03 1pwc n THR 194 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1pwc n ASP 195 N -1.79 3.68 -4.40 3.42 8.00 -1.26 -4.99 116.55 119.21 1pwc n ASP 195 Ca 0.04 -2.06 -0.33 0.00 0.71 0.00 0.00 54.79 53.15 1pwc n ASP 195 Cb 0.24 -0.41 -0.14 0.00 -0.02 0.00 0.00 41.12 40.79 1pwc n ASP 195 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1pwc s THR 196 N -1.11 3.05 0.06 -3.53 2.01 -0.83 -3.91 115.64 111.37 1pwc s THR 196 Ca 0.40 -0.68 -0.07 0.00 0.31 0.00 0.00 61.69 61.65 1pwc s THR 196 Cb 0.22 -2.25 -0.01 0.00 0.01 0.00 0.00 72.50 70.47 1pwc s THR 196 CO 0.26 0.54 0.15 -0.36 -0.69 0.00 0.00 174.62 174.52 1pwc s PHE 197 N 0.05 0.17 -0.26 4.92 0.40 -0.14 -5.00 117.98 118.12 1pwc s PHE 197 Ca -0.05 -0.51 -0.03 0.00 -0.60 0.00 0.00 56.93 55.74 1pwc s PHE 197 Cb -0.15 -0.10 0.09 0.00 0.51 0.00 0.00 43.02 43.37 1pwc s PHE 197 CO 0.04 -0.45 0.10 -0.47 0.70 0.00 0.00 175.22 175.14 1pwc s TYR 198 N -3.16 0.86 -0.70 0.36 6.14 -1.26 -1.02 117.35 118.57 1pwc s TYR 198 Ca -0.00 -1.07 0.06 0.00 0.64 0.00 0.00 57.07 56.70 1pwc s TYR 198 Cb 0.02 -1.15 0.09 0.00 0.42 0.00 0.00 41.96 41.35 1pwc s TYR 198 CO -0.07 -0.77 0.86 1.33 0.64 0.00 0.00 175.55 177.54 1pwc n VAL 199 N 5.09 0.35 -1.49 3.14 0.24 -1.26 -4.85 118.33 119.56 1pwc n VAL 199 Ca -0.05 -0.68 -0.51 0.00 -2.04 0.00 0.00 64.34 61.06 1pwc n VAL 199 Cb 0.44 0.91 -0.05 0.00 -1.47 0.00 0.00 33.84 33.67 1pwc n VAL 199 CO 0.00 0.00 0.00 1.57 -2.14 0.00 0.00 176.83 176.26 1pwc n HIS 200 N 0.26 0.45 -0.44 6.34 -0.00 -1.26 -0.97 115.22 119.60 1pwc n HIS 200 Ca 0.05 0.89 0.03 0.00 -0.00 0.00 0.00 57.72 58.69 1pwc n HIS 200 Cb 0.23 -2.11 0.29 0.00 -0.00 0.00 0.00 29.99 28.40 1pwc n HIS 200 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 176.34 175.99 1pwc n PRO 201 N 1.34 3.73 -1.87 1.57 -0.04 -1.26 -5.09 135.00 133.37 1pwc n PRO 201 Ca 0.17 -2.34 -0.39 0.00 -0.04 0.00 0.00 63.50 60.90 1pwc n PRO 201 Cb 0.21 -2.06 0.02 0.00 -0.04 0.00 0.00 33.50 31.63 1pwc n PRO 201 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 1pwc s ASP 202 N -0.59 5.74 0.00 3.54 -1.08 -0.15 -4.47 116.67 119.66 1pwc s ASP 202 Ca 0.41 2.77 0.22 0.00 -0.52 0.00 0.00 52.55 55.43 1pwc s ASP 202 Cb 0.32 -2.64 -0.10 0.00 -1.46 0.00 0.00 42.92 39.04 1pwc s ASP 202 CO 0.11 -1.26 0.94 0.35 0.52 0.00 0.00 175.17 175.84 1pwc n THR 203 N -0.48 0.03 -2.70 1.71 -2.24 -1.26 -4.61 114.28 104.72 1pwc n THR 203 Ca 0.07 -0.10 -0.41 0.00 -2.27 0.00 0.00 64.05 61.34 1pwc n THR 203 Cb 0.44 0.66 -0.05 0.00 -2.10 0.00 0.00 70.33 69.28 1pwc n THR 203 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1pwc s VAL 204 N -3.09 4.34 -0.31 2.28 1.01 -1.26 -3.59 120.40 119.78 1pwc s VAL 204 Ca 0.06 2.01 -0.19 0.00 0.00 0.00 0.00 61.98 63.87 1pwc s VAL 204 Cb 0.16 -4.29 -0.01 0.00 0.00 0.00 0.00 36.38 32.24 1pwc s VAL 204 CO 0.84 0.34 0.55 -0.63 0.00 0.00 0.00 175.10 176.21 1pwc s ILE 205 N -0.25 5.00 0.36 2.22 1.01 -1.26 -5.02 121.20 123.27 1pwc s ILE 205 Ca 0.46 0.66 -0.28 0.00 0.00 0.00 0.00 60.65 61.49 1pwc s ILE 205 Cb -0.25 -3.94 -0.10 0.00 0.01 0.00 0.00 42.46 38.18 1pwc s ILE 205 CO 0.31 -0.11 1.36 -2.84 0.00 0.00 0.00 174.94 173.66 1pwc s PRO 206 N 2.45 4.19 0.96 2.79 0.02 -1.26 -4.80 135.00 139.35 1pwc s PRO 206 Ca 0.22 2.31 0.00 0.00 0.02 0.00 0.00 61.00 63.55 1pwc s PRO 206 Cb -0.15 -2.97 0.00 0.00 0.02 0.00 0.00 34.50 31.40 1pwc s PRO 206 CO 0.12 -0.37 0.00 0.41 -0.33 0.00 0.00 177.00 176.83 1pwc n GLY 207 N 0.67 -1.85 3.71 0.52 0.00 -1.26 -4.79 105.19 102.20 1pwc n GLY 207 Ca 0.01 -1.32 -0.42 0.00 0.00 0.00 0.00 46.02 44.29 1pwc n GLY 207 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1pwc s THR 208 N -0.44 3.20 0.05 2.61 2.01 -1.26 -4.94 115.64 116.87 1pwc s THR 208 Ca 0.00 0.85 -0.05 0.00 0.31 0.00 0.00 61.69 62.81 1pwc s THR 208 Cb 0.00 -3.55 -0.02 0.00 0.01 0.00 0.00 72.50 68.95 1pwc s THR 208 CO 0.00 0.06 0.08 -1.38 -0.69 0.00 0.00 174.62 172.69 1pwc s HIS 209 N 1.19 0.26 0.17 4.92 -0.00 -1.26 -1.66 115.29 118.91 1pwc s HIS 209 Ca 0.66 -0.63 -0.30 0.00 -0.00 0.00 0.00 55.06 54.79 1pwc s HIS 209 Cb -0.38 -0.18 -0.08 0.00 -0.00 0.00 0.00 32.58 31.94 1pwc s HIS 209 CO 0.30 -0.38 1.14 0.00 -0.00 0.00 0.00 174.74 175.80 1pwc s ALA 210 N -2.97 3.39 0.55 -1.38 0.00 -0.20 -4.83 121.76 116.33 1pwc s ALA 210 Ca -0.02 0.87 -0.17 0.00 0.00 0.00 0.00 51.96 52.64 1pwc s ALA 210 Cb 0.01 -3.38 -0.06 0.00 0.00 0.00 0.00 23.12 19.69 1pwc s ALA 210 CO -0.06 -0.29 1.03 -0.80 0.00 0.00 0.00 175.76 175.64 1pwc s ASN 211 N 0.08 6.13 -0.04 0.00 -0.87 0.01 -4.80 114.94 115.44 1pwc s ASN 211 Ca 0.51 1.75 -0.02 0.00 -1.57 0.00 0.00 52.86 53.53 1pwc s ASN 211 Cb -0.31 -2.53 -0.04 0.00 -0.02 0.00 0.00 41.25 38.36 1pwc s ASN 211 CO 0.35 -0.93 0.08 -0.83 -2.57 0.00 0.00 177.10 173.20 1pwc s GLY 212 N -2.79 2.01 -0.24 0.66 0.00 -1.26 -4.80 107.32 100.90 1pwc s GLY 212 Ca 0.62 -0.81 0.00 0.00 0.00 0.00 0.00 44.72 44.53 1pwc s GLY 212 CO 0.33 -0.64 -0.02 -0.19 0.00 0.00 0.00 173.10 172.58 1pwc s TYR 213 N -1.10 2.13 -0.08 1.90 2.02 -0.86 -0.61 117.35 120.75 1pwc s TYR 213 Ca 0.19 -1.63 -0.28 0.00 -0.37 0.00 0.00 57.07 54.99 1pwc s TYR 213 Cb -0.12 -1.54 -0.02 0.00 -0.40 0.00 0.00 41.96 39.88 1pwc s TYR 213 CO 0.10 -0.76 0.91 -1.17 -1.57 0.00 0.00 175.55 173.06 1pwc s LEU 214 N 1.48 4.28 0.01 -1.29 2.96 0.62 -2.86 118.68 123.88 1pwc s LEU 214 Ca -0.03 1.43 -0.29 0.00 -0.22 0.00 0.00 54.13 55.02 1pwc s LEU 214 Cb -0.18 -3.41 -0.04 0.00 0.50 0.00 0.00 46.19 43.06 1pwc s LEU 214 CO -0.08 -0.32 0.93 -0.89 -1.32 0.00 0.00 176.35 174.66 1pwc s THR 215 N 1.53 4.83 0.80 3.68 2.01 -0.73 -1.69 115.64 126.08 1pwc s THR 215 Ca 0.45 1.96 -0.11 0.00 0.31 0.00 0.00 61.69 64.30 1pwc s THR 215 Cb -0.19 -4.27 0.07 0.00 0.01 0.00 0.00 72.50 68.12 1pwc s THR 215 CO 0.20 0.21 1.10 -2.16 -0.69 0.00 0.00 174.62 173.27 1pwc s PRO 216 N 0.77 2.04 0.49 4.92 0.04 -1.26 -4.72 135.00 137.28 1pwc s PRO 216 Ca 0.49 0.65 0.28 0.00 0.04 0.00 0.00 61.00 62.45 1pwc s PRO 216 Cb -0.21 -1.91 1.18 0.00 0.04 0.00 0.00 34.50 33.60 1pwc s PRO 216 CO 0.27 -1.66 1.93 -0.44 0.04 0.00 0.00 177.00 177.14 1pwc h ASP 217 N -1.12 0.00 -3.21 6.66 3.32 -1.96 -3.42 116.42 116.69 1pwc h ASP 217 Ca -0.47 0.00 -0.58 0.00 0.02 0.00 0.00 57.03 56.00 1pwc h ASP 217 Cb 1.27 0.00 -0.07 0.00 0.22 0.00 0.00 39.33 40.75 1pwc h ASP 217 CO 0.59 0.14 0.58 -1.61 -1.72 0.00 0.00 179.24 177.22 1pwc s GLU 218 N -3.76 4.27 0.31 3.56 8.01 -1.26 -4.97 118.70 124.86 1pwc s GLU 218 Ca -0.00 1.17 -0.29 0.00 0.01 0.00 0.00 54.97 55.86 1pwc s GLU 218 Cb 0.10 -3.61 -0.12 0.00 -4.31 0.00 0.00 34.13 26.19 1pwc s GLU 218 CO 0.59 -0.48 1.43 0.00 0.01 0.00 0.00 175.26 176.82 1pwc n ALA 219 N 5.78 1.76 -0.75 5.21 0.00 -1.26 -1.49 120.51 129.76 1pwc n ALA 219 Ca 0.08 0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.89 1pwc n ALA 219 Cb 0.47 -2.34 0.00 0.00 0.00 0.00 0.00 19.45 17.58 1pwc n ALA 219 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1pwc n GLY 220 N 1.45 1.47 3.78 0.00 0.00 -1.26 -5.02 105.19 105.61 1pwc n GLY 220 Ca 0.07 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.76 1pwc n GLY 220 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1pwc s GLY 221 N -1.99 2.06 0.34 -0.02 0.00 -0.56 -4.96 107.32 102.19 1pwc s GLY 221 Ca 0.00 0.46 -0.29 0.00 0.00 0.00 0.00 44.72 44.89 1pwc s GLY 221 CO 0.00 0.80 1.49 0.00 0.00 0.00 0.00 173.10 175.39 1pwc s ALA 222 N -2.47 3.61 0.46 3.20 0.00 -1.26 -4.67 121.76 120.64 1pwc s ALA 222 Ca 0.65 1.52 -0.22 0.00 0.00 0.00 0.00 51.96 53.91 1pwc s ALA 222 Cb -0.19 -3.60 -0.08 0.00 0.00 0.00 0.00 23.12 19.25 1pwc s ALA 222 CO 0.43 -0.97 1.11 -0.51 0.00 0.00 0.00 175.76 175.83 1pwc s LEU 223 N -1.52 3.97 -0.18 0.00 1.43 -1.26 -4.50 118.68 116.62 1pwc s LEU 223 Ca 0.55 2.16 -0.05 0.00 -1.03 0.00 0.00 54.13 55.76 1pwc s LEU 223 Cb -0.46 -4.34 -0.03 0.00 0.03 0.00 0.00 46.19 41.39 1pwc s LEU 223 CO 0.57 -0.85 0.01 -0.69 0.23 0.00 0.00 176.35 175.61 1pwc s VAL 224 N -1.68 4.24 -0.28 -1.59 1.01 -0.68 -4.93 120.40 116.48 1pwc s VAL 224 Ca 0.64 -0.23 -0.29 0.00 0.00 0.00 0.00 61.98 62.11 1pwc s VAL 224 Cb -0.24 -2.89 -0.01 0.00 0.00 0.00 0.00 36.38 33.23 1pwc s VAL 224 CO 0.29 0.46 1.56 -0.62 0.00 0.00 0.00 175.10 176.80 1pwc s ASP 225 N 0.54 6.34 -0.12 3.32 -1.08 -1.26 -0.28 116.67 124.14 1pwc s ASP 225 Ca -0.00 1.38 0.15 0.00 -0.52 0.00 0.00 52.55 53.55 1pwc s ASP 225 Cb -0.14 -2.53 0.39 0.00 -1.46 0.00 0.00 42.92 39.18 1pwc s ASP 225 CO 0.02 -1.33 1.30 -1.54 0.52 0.00 0.00 175.17 174.14 1pwc n SER 226 N 8.66 3.22 -0.07 -0.34 3.41 0.22 -4.80 113.62 123.93 1pwc n SER 226 Ca 0.18 -2.76 -0.07 0.00 -0.26 0.00 0.00 58.87 55.96 1pwc n SER 226 Cb 0.46 -0.42 -0.01 0.00 -0.26 0.00 0.00 64.21 63.99 1pwc n SER 226 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 1pwc h THR 227 N 1.30 0.85 -3.54 6.66 2.02 -1.84 -3.41 112.91 114.96 1pwc h THR 227 Ca 0.00 -0.05 -0.71 0.00 0.77 0.00 0.00 66.41 66.42 1pwc h THR 227 Cb 1.14 0.71 -0.25 0.00 -1.74 0.00 0.00 68.15 68.01 1pwc h THR 227 CO 0.12 0.02 -0.49 -1.61 0.37 0.00 0.00 175.52 173.93 1pwc s GLU 228 N -6.18 2.81 0.16 6.66 2.02 -1.26 -4.87 118.70 118.04 1pwc s GLU 228 Ca -0.13 -1.15 -0.17 0.00 0.02 0.00 0.00 54.97 53.54 1pwc s GLU 228 Cb 0.11 -3.79 0.03 0.00 0.10 0.00 0.00 34.13 30.59 1pwc s GLU 228 CO 0.70 -0.76 0.47 1.14 0.02 0.00 0.00 175.26 176.82 1pwc s GLN 229 N 1.55 1.22 0.29 1.61 -2.07 -1.24 -4.96 119.66 116.07 1pwc s GLN 229 Ca 0.02 -0.77 0.15 0.00 -1.82 0.00 0.00 55.36 52.94 1pwc s GLN 229 Cb -0.20 0.50 0.33 0.00 -1.09 0.00 0.00 33.01 32.55 1pwc s GLN 229 CO 0.06 -0.50 1.57 1.79 -1.32 0.00 0.00 175.29 176.89 1pwc h THR 230 N 2.26 1.11 -2.89 3.63 1.35 -1.27 -3.37 112.91 113.73 1pwc h THR 230 Ca -0.32 -2.10 -0.31 0.00 -0.55 0.00 0.00 66.41 63.14 1pwc h THR 230 Cb 1.26 2.23 -0.05 0.00 -1.73 0.00 0.00 68.15 69.87 1pwc h THR 230 CO 0.42 0.54 -0.36 0.52 -0.25 0.00 0.00 175.52 176.39 1pwc n VAL 231 N -3.48 -0.51 0.26 6.82 0.31 -1.26 -4.70 118.33 115.77 1pwc n VAL 231 Ca 0.00 0.00 0.16 0.00 -0.01 0.00 0.00 64.34 64.49 1pwc n VAL 231 Cb 0.65 -1.95 0.57 0.00 -0.91 0.00 0.00 33.84 32.20 1pwc n VAL 231 CO 0.00 0.00 0.00 -1.28 -1.32 0.00 0.00 176.83 174.23 1pwc h SER 232 N 0.00 0.00 0.55 4.52 0.87 -1.87 -0.89 113.55 116.74 1pwc h SER 232 Ca -0.35 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.21 1pwc h SER 232 Cb 1.19 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.15 1pwc h SER 232 CO 0.43 0.02 0.00 -2.67 -0.53 0.00 0.00 176.83 174.09 1pwc n TRP 233 N -3.12 0.51 0.00 2.24 4.27 -1.26 -4.12 117.44 115.96 1pwc n TRP 233 Ca 0.01 0.21 0.00 0.00 -3.89 0.00 0.00 57.50 53.83 1pwc n TRP 233 Cb 0.36 -0.84 0.00 0.00 -1.36 0.00 0.00 31.31 29.47 1pwc n TRP 233 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1pwc n ALA 234 N -1.68 2.43 -0.58 -1.67 0.00 -0.55 -5.00 120.51 113.46 1pwc n ALA 234 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.46 1pwc n ALA 234 Cb 0.18 0.45 0.00 0.00 0.00 0.00 0.00 19.45 20.08 1pwc n ALA 234 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1pwc n GLN 235 N -2.64 0.00 0.00 0.00 6.02 -0.45 -0.56 117.38 119.76 1pwc n GLN 235 Ca 0.00 0.00 0.06 0.00 -0.01 0.00 0.00 57.00 57.05 1pwc n GLN 235 Cb 0.45 0.00 0.33 0.00 1.02 0.00 0.00 30.24 32.04 1pwc n GLN 235 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.06 174.92 1pwc n SER 236 N 5.84 0.00 0.02 1.08 3.41 -1.26 -0.55 113.62 122.15 1pwc n SER 236 Ca 0.00 -0.10 0.11 0.00 -0.26 0.00 0.00 58.87 58.62 1pwc n SER 236 Cb 0.00 -0.16 -0.01 0.00 -0.26 0.00 0.00 64.21 63.78 1pwc n SER 236 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1pwc n ALA 237 N -1.16 3.53 -1.32 7.33 0.00 0.28 -4.24 120.51 124.92 1pwc n ALA 237 Ca 0.07 -0.44 0.00 0.00 0.00 0.00 0.00 53.44 53.07 1pwc n ALA 237 Cb 0.07 -0.93 0.00 0.00 0.00 0.00 0.00 19.45 18.59 1pwc n ALA 237 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1pwc n GLY 238 N 1.38 0.66 1.28 0.00 0.00 -0.03 -4.07 105.19 104.41 1pwc n GLY 238 Ca 0.02 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.16 1pwc n GLY 238 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pwc n ALA 239 N 0.00 2.40 -1.77 4.61 0.00 0.29 -3.42 120.51 122.61 1pwc n ALA 239 Ca 0.00 -1.17 -0.38 0.00 0.00 0.00 0.00 53.44 51.89 1pwc n ALA 239 Cb 0.24 -0.91 -0.01 0.00 0.00 0.00 0.00 19.45 18.77 1pwc n ALA 239 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1pwc s VAL 240 N -1.23 3.08 -0.11 0.00 1.01 -1.26 -4.67 120.40 117.22 1pwc s VAL 240 Ca 0.45 0.86 -0.02 0.00 0.00 0.00 0.00 61.98 63.27 1pwc s VAL 240 Cb 0.25 -3.46 -0.03 0.00 0.00 0.00 0.00 36.38 33.13 1pwc s VAL 240 CO 0.33 0.04 -0.02 -0.63 0.00 0.00 0.00 175.10 174.82 1pwc s ILE 241 N -1.47 4.13 0.00 2.22 1.01 -0.19 -1.74 121.20 125.16 1pwc s ILE 241 Ca 0.60 -0.30 0.00 0.00 0.00 0.00 0.00 60.65 60.95 1pwc s ILE 241 Cb -0.30 -2.75 0.00 0.00 0.01 0.00 0.00 42.46 39.41 1pwc s ILE 241 CO 0.37 0.57 0.00 -0.24 0.00 0.00 0.00 174.94 175.64 1pwc n SER 242 N 2.61 0.00 -4.18 3.58 2.88 -0.41 -0.97 113.62 117.14 1pwc n SER 242 Ca -0.18 -0.34 -0.11 0.00 -1.33 0.00 0.00 58.87 56.91 1pwc n SER 242 Cb 0.53 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.89 1pwc n SER 242 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1pwc s SER 243 N 0.78 0.69 0.22 -3.46 1.04 -1.26 -1.25 113.70 110.46 1pwc s SER 243 Ca 0.00 -1.17 -0.09 0.00 0.48 0.00 0.00 55.95 55.17 1pwc s SER 243 Cb 0.00 0.21 0.19 0.00 0.10 0.00 0.00 66.02 66.53 1pwc s SER 243 CO 0.00 -0.65 1.88 0.71 0.98 0.00 0.00 173.24 176.16 1pwc h THR 244 N 2.84 1.17 -0.51 2.02 1.35 -1.83 -0.72 112.91 117.23 1pwc h THR 244 Ca -0.36 -0.35 -0.01 0.00 -0.55 0.00 0.00 66.41 65.14 1pwc h THR 244 Cb 1.19 0.05 -0.02 0.00 -1.73 0.00 0.00 68.15 67.64 1pwc h THR 244 CO 0.61 0.19 0.26 -0.61 -0.25 0.00 0.00 175.52 175.72 1pwc h GLN 245 N 1.03 0.72 -0.17 4.72 4.15 -1.94 -1.97 115.11 121.64 1pwc h GLN 245 Ca 0.30 -0.10 -0.17 0.00 0.77 0.00 0.00 58.65 59.46 1pwc h GLN 245 Cb -0.07 -0.13 -0.01 0.00 0.21 0.00 0.00 27.48 27.48 1pwc h GLN 245 CO -0.08 0.58 -0.58 -0.44 -1.93 0.00 0.00 178.83 176.38 1pwc h ASP 246 N 0.67 0.62 -0.14 -0.69 5.19 -1.86 -0.44 116.42 119.78 1pwc h ASP 246 Ca 0.18 -0.34 -0.12 0.00 -0.62 0.00 0.00 57.03 56.12 1pwc h ASP 246 Cb 0.08 -0.18 -0.01 0.00 0.18 0.00 0.00 39.33 39.40 1pwc h ASP 246 CO -0.03 1.07 -0.33 -0.07 -3.12 0.00 0.00 179.24 176.76 1pwc h LEU 247 N 0.42 0.67 -0.23 1.55 3.38 -1.11 0.48 115.31 120.47 1pwc h LEU 247 Ca 0.00 -0.27 0.02 0.00 0.09 0.00 0.00 57.88 57.72 1pwc h LEU 247 Cb 1.13 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.67 1pwc h LEU 247 CO 0.11 0.95 0.09 0.44 0.09 0.00 0.00 178.44 180.11 1pwc h ASP 248 N 0.54 0.12 -0.53 -0.43 3.32 -1.11 -0.81 116.42 117.52 1pwc h ASP 248 Ca 0.06 0.02 0.01 0.00 0.02 0.00 0.00 57.03 57.14 1pwc h ASP 248 Cb 0.83 -0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.35 1pwc h ASP 248 CO 0.07 0.10 0.35 0.74 -1.72 0.00 0.00 179.24 178.78 1pwc h THR 249 N 0.20 1.13 0.42 0.35 2.02 -0.72 -1.16 112.91 115.16 1pwc h THR 249 Ca 0.10 -0.24 -0.02 0.00 0.77 0.00 0.00 66.41 67.01 1pwc h THR 249 Cb 0.05 0.35 0.00 0.00 -1.74 0.00 0.00 68.15 66.82 1pwc h THR 249 CO -0.09 0.13 -0.20 0.15 0.37 0.00 0.00 175.52 175.88 1pwc h PHE 250 N 0.71 -0.53 0.00 3.16 3.57 -0.64 -0.97 116.94 122.24 1pwc h PHE 250 Ca 0.20 -0.01 -0.10 0.00 3.53 0.00 0.00 57.97 61.58 1pwc h PHE 250 Cb -0.07 0.17 -0.01 0.00 2.79 0.00 0.00 35.95 38.83 1pwc h PHE 250 CO -0.04 -0.28 -0.49 0.74 -2.23 0.00 0.00 178.31 176.01 1pwc h PHE 251 N -0.66 0.00 -0.59 0.41 0.04 -1.10 -0.12 116.94 114.92 1pwc h PHE 251 Ca -0.06 0.00 -0.05 0.00 2.80 0.00 0.00 57.97 60.66 1pwc h PHE 251 Cb 0.49 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.61 1pwc h PHE 251 CO -0.03 0.49 0.16 0.77 -0.60 0.00 0.00 178.31 179.11 1pwc h SER 252 N 0.00 0.88 -0.73 2.17 0.02 -1.15 -1.06 113.55 113.69 1pwc h SER 252 Ca -0.00 -0.22 -0.04 0.00 -0.84 0.00 0.00 61.79 60.68 1pwc h SER 252 Cb 0.92 -0.23 -0.03 0.00 0.14 0.00 0.00 62.40 63.19 1pwc h SER 252 CO 0.06 0.87 0.29 0.00 -1.14 0.00 0.00 176.83 176.92 1pwc h ALA 253 N 1.04 0.95 0.49 3.77 0.00 -0.80 -1.51 119.26 123.21 1pwc h ALA 253 Ca 0.19 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 1pwc h ALA 253 Cb 0.32 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1pwc h ALA 253 CO -0.00 0.57 -0.24 1.25 0.00 0.00 0.00 179.25 180.84 1pwc h LEU 254 N 1.05 -0.56 -1.23 0.00 5.85 -0.81 -0.11 115.31 119.50 1pwc h LEU 254 Ca 0.24 -0.02 -0.07 0.00 0.84 0.00 0.00 57.88 58.87 1pwc h LEU 254 Cb 0.21 0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.38 1pwc h LEU 254 CO -0.02 -0.33 -0.31 0.24 -0.34 0.00 0.00 178.44 177.68 1pwc h MET 255 N -0.75 0.00 -0.09 1.25 2.86 -1.14 -2.24 114.93 114.82 1pwc h MET 255 Ca -0.07 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.57 1pwc h MET 255 Cb 0.55 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.21 1pwc h MET 255 CO 0.11 0.31 0.00 -1.13 1.06 0.00 0.00 176.91 177.26 1pwc n SER 256 N -3.68 1.09 0.00 1.22 3.41 -0.57 -4.48 113.62 110.61 1pwc n SER 256 Ca -0.01 -1.56 0.00 0.00 -0.26 0.00 0.00 58.87 57.04 1pwc n SER 256 Cb 0.42 -0.06 0.00 0.00 -0.26 0.00 0.00 64.21 64.32 1pwc n SER 256 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1pwc n GLY 257 N 1.03 0.80 0.01 5.00 0.00 -0.84 -4.99 105.19 106.19 1pwc n GLY 257 Ca 0.16 -0.61 0.12 0.00 0.00 0.00 0.00 46.02 45.69 1pwc n GLY 257 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1pwc n GLN 258 N -1.84 0.02 0.00 1.61 6.02 -0.08 -4.44 117.38 118.66 1pwc n GLN 258 Ca 0.00 -0.01 0.04 0.00 -0.01 0.00 0.00 57.00 57.02 1pwc n GLN 258 Cb 0.15 -1.50 0.03 0.00 1.02 0.00 0.00 30.24 29.93 1pwc n GLN 258 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1pwc n LEU 259 N -1.48 1.56 -3.78 1.08 4.77 -1.26 -5.01 117.00 112.89 1pwc n LEU 259 Ca 0.06 -0.94 -0.01 0.00 -0.03 0.00 0.00 56.01 55.08 1pwc n LEU 259 Cb 0.34 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.43 1pwc n LEU 259 CO 0.35 0.31 0.90 0.00 -1.33 0.00 0.00 177.39 177.62 1pwc s MET 260 N -0.83 0.88 0.87 3.23 0.23 -1.26 -4.76 119.30 117.66 1pwc s MET 260 Ca 0.09 -0.52 -0.10 0.00 -1.03 0.00 0.00 55.69 54.12 1pwc s MET 260 Cb 0.07 0.28 0.12 0.00 -1.53 0.00 0.00 34.83 33.76 1pwc s MET 260 CO 0.13 -0.41 1.12 -1.54 -2.03 0.00 0.00 175.02 172.29 1pwc s SER 261 N -3.19 3.42 0.29 -1.18 1.04 -1.26 -4.83 113.70 107.98 1pwc s SER 261 Ca 0.18 2.02 -0.02 0.00 0.48 0.00 0.00 55.95 58.60 1pwc s SER 261 Cb 0.00 -2.53 0.43 0.00 0.10 0.00 0.00 66.02 64.02 1pwc s SER 261 CO 0.01 -2.76 1.94 0.00 0.98 0.00 0.00 173.24 173.41 1pwc h ALA 262 N -1.63 1.41 -0.50 5.32 0.00 -1.99 -1.52 119.26 120.36 1pwc h ALA 262 Ca -0.44 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.42 1pwc h ALA 262 Cb 1.26 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 18.70 1pwc h ALA 262 CO 0.46 0.50 0.29 0.00 0.00 0.00 0.00 179.25 180.50 1pwc h ALA 263 N 1.46 0.64 -0.07 0.00 0.00 -2.00 -0.94 119.26 118.36 1pwc h ALA 263 Ca 0.36 -0.08 -0.15 0.00 0.00 0.00 0.00 54.91 55.04 1pwc h ALA 263 Cb -0.01 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 1pwc h ALA 263 CO -0.10 0.14 -0.64 1.96 0.00 0.00 0.00 179.25 180.61 1pwc h GLN 264 N 0.67 0.26 -0.44 0.00 7.50 -1.84 -2.01 115.11 119.25 1pwc h GLN 264 Ca 0.18 -0.19 -0.05 0.00 0.50 0.00 0.00 58.65 59.09 1pwc h GLN 264 Cb 0.02 0.03 -0.02 0.00 0.05 0.00 0.00 27.48 27.56 1pwc h GLN 264 CO -0.03 0.81 0.08 1.25 -1.50 0.00 0.00 178.83 179.44 1pwc h LEU 265 N 0.19 0.62 -0.80 1.46 5.85 -1.02 -0.14 115.31 121.47 1pwc h LEU 265 Ca -0.01 -0.11 -0.07 0.00 0.84 0.00 0.00 57.88 58.54 1pwc h LEU 265 Cb 1.16 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 42.00 1pwc h LEU 265 CO 0.10 0.64 0.15 0.00 -0.34 0.00 0.00 178.44 178.99 1pwc h ALA 266 N 1.45 1.02 -0.69 1.25 0.00 -0.86 -2.08 119.26 119.34 1pwc h ALA 266 Ca 0.14 -0.24 -0.06 0.00 0.00 0.00 0.00 54.91 54.75 1pwc h ALA 266 Cb 0.29 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 1pwc h ALA 266 CO 0.00 0.64 0.20 1.96 0.00 0.00 0.00 179.25 182.05 1pwc h GLN 267 N 1.00 1.09 0.00 0.00 1.08 -0.76 -2.45 115.11 115.06 1pwc h GLN 267 Ca 0.21 -0.24 -0.00 0.00 -1.45 0.00 0.00 58.65 57.17 1pwc h GLN 267 Cb 0.36 -0.15 -0.00 0.00 -0.05 0.00 0.00 27.48 27.64 1pwc h GLN 267 CO 0.00 0.95 -0.01 1.98 -0.95 0.00 0.00 178.83 180.80 1pwc h MET 268 N 1.02 0.00 -0.54 1.46 4.05 -0.49 -2.58 114.93 117.85 1pwc h MET 268 Ca 0.22 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.64 1pwc h MET 268 Cb 0.32 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.12 1pwc h MET 268 CO -0.00 0.01 0.00 1.04 0.23 0.00 0.00 176.91 178.18 1pwc n GLN 269 N -4.08 4.16 -2.68 0.39 6.02 -0.83 -1.06 117.38 119.29 1pwc n GLN 269 Ca -0.03 -3.00 -0.43 0.00 -0.01 0.00 0.00 57.00 53.54 1pwc n GLN 269 Cb 0.09 -2.05 -0.03 0.00 1.02 0.00 0.00 30.24 29.27 1pwc n GLN 269 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 1pwc s GLN 270 N -2.43 3.51 -0.10 -1.09 -0.21 -0.97 -4.97 119.66 113.40 1pwc s GLN 270 Ca 0.51 0.18 -0.24 0.00 0.02 0.00 0.00 55.36 55.82 1pwc s GLN 270 Cb 0.37 -3.99 -0.03 0.00 1.00 0.00 0.00 33.01 30.36 1pwc s GLN 270 CO 0.18 -1.50 0.73 -1.58 -2.12 0.00 0.00 175.29 171.00 1pwc s TRP 271 N 4.43 3.53 -0.07 0.91 0.52 -1.26 -4.30 118.94 122.70 1pwc s TRP 271 Ca 0.40 1.24 -0.18 0.00 0.02 0.00 0.00 56.10 57.58 1pwc s TRP 271 Cb -0.09 -2.86 -0.05 0.00 -1.15 0.00 0.00 33.47 29.32 1pwc s TRP 271 CO 0.25 -0.01 0.50 0.99 0.02 0.00 0.00 176.95 178.71 1pwc s THR 272 N 1.20 5.08 0.18 2.01 2.01 0.66 -4.88 115.64 121.90 1pwc s THR 272 Ca 0.38 1.03 -0.32 0.00 0.31 0.00 0.00 61.69 63.08 1pwc s THR 272 Cb -0.17 -3.84 -0.10 0.00 0.01 0.00 0.00 72.50 68.39 1pwc s THR 272 CO 0.17 0.39 1.60 -0.89 -0.69 0.00 0.00 174.62 175.20 1pwc s THR 273 N 0.13 2.48 -0.25 -0.82 2.01 -1.26 -0.51 115.64 117.42 1pwc s THR 273 Ca 0.27 0.35 -0.14 0.00 0.31 0.00 0.00 61.69 62.48 1pwc s THR 273 Cb -0.16 -3.22 -0.11 0.00 0.01 0.00 0.00 72.50 69.02 1pwc s THR 273 CO 0.13 0.03 -0.35 0.52 -0.69 0.00 0.00 174.62 174.26 1pwc n VAL 274 N 3.93 1.49 -3.25 3.82 0.31 -0.40 -4.83 118.33 119.40 1pwc n VAL 274 Ca 0.14 -0.27 -0.02 0.00 -0.01 0.00 0.00 64.34 64.18 1pwc n VAL 274 Cb 0.38 -1.96 0.00 0.00 -0.91 0.00 0.00 33.84 31.35 1pwc n VAL 274 CO 0.00 0.00 0.00 -0.46 -1.32 0.00 0.00 176.83 175.05 1pwc n ASN 275 N -4.26 -0.42 0.07 4.52 0.23 -1.08 -4.98 115.26 109.34 1pwc n ASN 275 Ca -0.46 -1.32 0.10 0.00 -0.53 0.00 0.00 54.58 52.37 1pwc n ASN 275 Cb 0.81 0.70 0.41 0.00 -2.08 0.00 0.00 39.78 39.62 1pwc n ASN 275 CO 0.00 0.00 0.00 -1.54 -0.93 0.00 0.00 177.26 174.79 1pwc n SER 276 N -1.29 0.36 -0.11 0.53 3.41 -1.26 -2.51 113.62 112.76 1pwc n SER 276 Ca -0.01 0.59 0.05 0.00 -0.26 0.00 0.00 58.87 59.23 1pwc n SER 276 Cb 0.12 -0.66 0.07 0.00 -0.26 0.00 0.00 64.21 63.47 1pwc n SER 276 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1pwc n THR 277 N -1.90 1.19 -3.84 6.66 -2.24 -1.26 -5.03 114.28 107.86 1pwc n THR 277 Ca 0.03 -1.37 -0.12 0.00 -2.27 0.00 0.00 64.05 60.32 1pwc n THR 277 Cb 0.21 0.19 -0.10 0.00 -2.10 0.00 0.00 70.33 68.53 1pwc n THR 277 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 1pwc s GLN 278 N -1.66 0.44 0.24 -0.78 -0.21 -1.04 -0.49 119.66 116.15 1pwc s GLN 278 Ca 0.15 -0.18 0.04 0.00 0.02 0.00 0.00 55.36 55.40 1pwc s GLN 278 Cb 0.13 0.19 -0.05 0.00 1.00 0.00 0.00 33.01 34.28 1pwc s GLN 278 CO 0.01 -0.10 -0.01 0.20 -2.12 0.00 0.00 175.29 173.27 1pwc s GLY 279 N -0.95 1.61 -0.07 3.09 0.00 -0.49 -1.27 107.32 109.24 1pwc s GLY 279 Ca -0.10 -1.80 0.02 0.00 0.00 0.00 0.00 44.72 42.84 1pwc s GLY 279 CO 0.02 -1.70 -0.10 -0.47 0.00 0.00 0.00 173.10 170.84 1pwc s TYR 280 N -3.34 1.36 0.00 1.90 5.04 0.34 -1.07 117.35 121.57 1pwc s TYR 280 Ca 0.29 -0.52 0.00 0.00 -2.44 0.00 0.00 57.07 54.40 1pwc s TYR 280 Cb 0.05 -1.04 0.00 0.00 0.35 0.00 0.00 41.96 41.33 1pwc s TYR 280 CO 0.09 -0.30 0.00 0.41 -1.34 0.00 0.00 175.55 174.41 1pwc n GLY 281 N 4.01 0.42 3.08 8.97 0.00 0.63 -0.24 105.19 122.06 1pwc n GLY 281 Ca -0.22 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.46 1pwc n GLY 281 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1pwc s LEU 282 N 0.00 4.92 -1.39 0.99 1.43 -0.22 -4.01 118.68 120.40 1pwc s LEU 282 Ca 0.00 -2.01 -0.06 0.00 -1.03 0.00 0.00 54.13 51.03 1pwc s LEU 282 Cb 0.00 -1.73 0.01 0.00 0.03 0.00 0.00 46.19 44.49 1pwc s LEU 282 CO 0.00 -0.45 0.79 0.61 0.23 0.00 0.00 176.35 177.53 1pwc n GLY 283 N 4.46 -0.45 3.42 -3.19 0.00 -0.55 -4.86 105.19 104.01 1pwc n GLY 283 Ca -0.01 0.12 -0.12 0.00 0.00 0.00 0.00 46.02 46.02 1pwc n GLY 283 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1pwc s LEU 284 N -6.54 -0.18 0.06 0.99 2.96 -1.26 -3.40 118.68 111.30 1pwc s LEU 284 Ca 0.39 1.09 0.03 0.00 -0.22 0.00 0.00 54.13 55.42 1pwc s LEU 284 Cb -0.17 1.77 -0.04 0.00 0.50 0.00 0.00 46.19 48.25 1pwc s LEU 284 CO 0.49 -0.19 0.04 -0.13 -1.32 0.00 0.00 176.35 175.23 1pwc s ARG 285 N 0.81 2.78 -0.12 1.98 0.52 0.11 -0.27 118.95 124.77 1pwc s ARG 285 Ca -0.04 -0.70 0.01 0.00 -0.52 0.00 0.00 55.73 54.48 1pwc s ARG 285 Cb -0.05 -2.67 -0.01 0.00 0.52 0.00 0.00 34.95 32.73 1pwc s ARG 285 CO -0.06 0.58 -0.17 0.50 0.02 0.00 0.00 175.30 176.16 1pwc s ARG 286 N -2.14 3.22 -0.07 3.54 3.52 -0.24 -1.05 118.95 125.73 1pwc s ARG 286 Ca 0.26 -0.75 0.05 0.00 -0.13 0.00 0.00 55.73 55.15 1pwc s ARG 286 Cb -0.12 -2.51 -0.00 0.00 -1.56 0.00 0.00 34.95 30.76 1pwc s ARG 286 CO 0.18 0.22 -0.23 1.03 -0.81 0.00 0.00 175.30 175.70 1pwc s ARG 287 N 0.29 2.60 -0.29 5.12 0.52 -0.18 -1.40 118.95 125.61 1pwc s ARG 287 Ca -0.12 -0.82 -0.11 0.00 -0.52 0.00 0.00 55.73 54.15 1pwc s ARG 287 Cb -0.16 -2.09 -0.04 0.00 0.52 0.00 0.00 34.95 33.17 1pwc s ARG 287 CO 0.06 0.26 0.19 -0.51 0.02 0.00 0.00 175.30 175.32 1pwc s ASP 288 N 0.13 5.97 0.43 0.23 1.01 0.36 -0.64 116.67 124.15 1pwc s ASP 288 Ca -0.11 -0.10 -0.02 0.00 0.71 0.00 0.00 52.55 53.03 1pwc s ASP 288 Cb -0.15 -2.11 -0.03 0.00 1.01 0.00 0.00 42.92 41.64 1pwc s ASP 288 CO 0.06 -0.08 0.67 -0.76 0.21 0.00 0.00 175.17 175.27 1pwc s LEU 289 N 1.74 3.77 0.51 1.23 1.43 0.59 -4.94 118.68 123.01 1pwc s LEU 289 Ca 0.07 0.60 0.16 0.00 -1.03 0.00 0.00 54.13 53.93 1pwc s LEU 289 Cb -0.16 -3.50 1.24 0.00 0.03 0.00 0.00 46.19 43.80 1pwc s LEU 289 CO 0.10 -0.51 2.12 0.77 0.23 0.00 0.00 176.35 179.06 1pwc h SER 290 N 0.45 0.00 -0.36 2.29 4.64 -1.98 -1.64 113.55 116.95 1pwc h SER 290 Ca -0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 1pwc h SER 290 Cb 1.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.31 1pwc h SER 290 CO 0.61 0.04 0.00 0.00 -0.87 0.00 0.00 176.83 176.60 1pwc n GLY 292 N 0.82 0.42 3.78 0.00 0.00 -0.62 -5.05 105.19 104.54 1pwc n GLY 292 Ca 0.14 -0.98 -0.36 0.00 0.00 0.00 0.00 46.02 44.81 1pwc n GLY 292 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1pwc s ILE 293 N -2.00 5.39 -0.01 -0.61 1.01 -1.25 -4.94 121.20 118.79 1pwc s ILE 293 Ca 0.00 0.32 -0.02 0.00 0.00 0.00 0.00 60.65 60.95 1pwc s ILE 293 Cb 0.00 -3.50 -0.04 0.00 0.01 0.00 0.00 42.46 38.93 1pwc s ILE 293 CO 0.00 0.49 0.16 -0.44 0.00 0.00 0.00 174.94 175.15 1pwc s SER 294 N -0.14 6.20 0.17 3.58 0.01 -1.26 -0.30 113.70 121.96 1pwc s SER 294 Ca 0.13 0.30 0.06 0.00 1.31 0.00 0.00 55.95 57.75 1pwc s SER 294 Cb -0.12 -1.91 -0.05 0.00 0.21 0.00 0.00 66.02 64.15 1pwc s SER 294 CO 0.02 0.26 -0.12 0.68 0.41 0.00 0.00 173.24 174.50 1pwc s VAL 295 N -1.30 1.42 -0.03 3.43 -7.23 0.18 -4.41 120.40 112.48 1pwc s VAL 295 Ca 0.26 -2.13 0.01 0.00 -1.81 0.00 0.00 61.98 58.31 1pwc s VAL 295 Cb -0.12 -1.94 0.01 0.00 0.56 0.00 0.00 36.38 34.89 1pwc s VAL 295 CO 0.18 -0.68 -0.04 -0.31 -0.31 0.00 0.00 175.10 173.94 1pwc s TYR 296 N -3.17 0.56 0.00 2.82 2.02 0.14 -1.02 117.35 118.71 1pwc s TYR 296 Ca 0.19 -0.12 0.00 0.00 -0.37 0.00 0.00 57.07 56.78 1pwc s TYR 296 Cb 0.01 -0.49 0.00 0.00 -0.40 0.00 0.00 41.96 41.08 1pwc s TYR 296 CO 0.03 -0.11 0.00 0.41 -1.57 0.00 0.00 175.55 174.31 1pwc n GLY 297 N 3.70 -0.56 3.47 0.71 0.00 -0.22 -0.47 105.19 111.83 1pwc n GLY 297 Ca -0.22 -0.28 -0.15 0.00 0.00 0.00 0.00 46.02 45.37 1pwc n GLY 297 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1pwc s HIS 298 N -2.87 -0.59 0.25 1.61 2.46 -0.03 0.07 115.29 116.19 1pwc s HIS 298 Ca 0.00 0.70 0.06 0.00 0.47 0.00 0.00 55.06 56.28 1pwc s HIS 298 Cb 0.00 0.49 -0.03 0.00 -0.13 0.00 0.00 32.58 32.91 1pwc s HIS 298 CO 0.00 -0.73 0.34 0.95 -2.47 0.00 0.00 174.74 172.83 1pwc s THR 299 N -2.53 4.94 -0.02 0.89 -4.23 -1.26 -1.55 115.64 111.87 1pwc s THR 299 Ca -0.04 -1.08 -0.04 0.00 -1.18 0.00 0.00 61.69 59.35 1pwc s THR 299 Cb -0.01 -3.71 0.00 0.00 1.34 0.00 0.00 72.50 70.13 1pwc s THR 299 CO -0.02 -0.31 0.09 -0.83 -0.54 0.00 0.00 174.62 173.00 1pwc s GLY 300 N -3.98 -0.01 -0.13 3.99 0.00 -0.04 -2.90 107.32 104.25 1pwc s GLY 300 Ca 0.35 0.07 -0.01 0.00 0.00 0.00 0.00 44.72 45.13 1pwc s GLY 300 CO 0.28 0.01 -0.02 -1.59 0.00 0.00 0.00 173.10 171.79 1pwc s THR 301 N -0.43 0.72 0.09 0.90 2.01 -1.26 -0.78 115.64 116.90 1pwc s THR 301 Ca -0.05 -0.32 0.02 0.00 0.31 0.00 0.00 61.69 61.65 1pwc s THR 301 Cb -0.03 -0.95 -0.04 0.00 0.01 0.00 0.00 72.50 71.49 1pwc s THR 301 CO 0.00 0.12 -0.07 0.54 -0.69 0.00 0.00 174.62 174.52 1pwc s VAL 302 N 1.81 0.70 0.03 3.82 0.11 -0.86 -4.52 120.40 121.49 1pwc s VAL 302 Ca 0.02 -1.80 -0.32 0.00 -2.93 0.00 0.00 61.98 56.96 1pwc s VAL 302 Cb -0.14 -1.51 -0.10 0.00 -1.53 0.00 0.00 36.38 33.09 1pwc s VAL 302 CO -0.07 -0.78 1.91 0.00 -3.33 0.00 0.00 175.10 172.83 1pwc n GLN 303 N 0.21 2.65 -0.72 1.54 3.00 -1.26 -0.61 117.38 122.19 1pwc n GLN 303 Ca -0.14 0.97 0.00 0.00 -0.01 0.00 0.00 57.00 57.82 1pwc n GLN 303 Cb 0.60 -2.88 0.00 0.00 0.00 0.00 0.00 30.24 27.96 1pwc n GLN 303 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1pwc n GLY 304 N 4.41 0.78 2.85 1.08 0.00 -1.26 -4.69 105.19 108.36 1pwc n GLY 304 Ca 0.20 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.07 1pwc n GLY 304 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1pwc s TYR 305 N -2.92 -0.13 -0.18 1.61 1.51 0.22 -1.72 117.35 115.73 1pwc s TYR 305 Ca 0.00 0.48 -0.03 0.00 -1.01 0.00 0.00 57.07 56.51 1pwc s TYR 305 Cb 0.00 -0.20 -0.02 0.00 -0.11 0.00 0.00 41.96 41.63 1pwc s TYR 305 CO 0.00 -0.20 -0.05 0.71 -1.11 0.00 0.00 175.55 174.89 1pwc s TYR 306 N 1.70 2.95 -0.03 2.71 2.02 -0.28 -2.03 117.35 124.39 1pwc s TYR 306 Ca -0.03 -0.65 0.07 0.00 -0.37 0.00 0.00 57.07 56.09 1pwc s TYR 306 Cb -0.12 -2.01 -0.02 0.00 -0.40 0.00 0.00 41.96 39.41 1pwc s TYR 306 CO -0.05 -0.31 -0.24 0.99 -1.57 0.00 0.00 175.55 174.37 1pwc s THR 307 N 0.91 1.89 -0.09 -0.71 2.01 0.04 -1.50 115.64 118.18 1pwc s THR 307 Ca -0.01 -1.01 0.04 0.00 0.31 0.00 0.00 61.69 61.02 1pwc s THR 307 Cb -0.15 -1.58 0.00 0.00 0.01 0.00 0.00 72.50 70.79 1pwc s THR 307 CO 0.01 0.53 -0.22 -0.31 -0.69 0.00 0.00 174.62 173.94 1pwc s TYR 308 N -0.42 2.37 -0.18 4.92 1.51 -0.25 -0.86 117.35 124.43 1pwc s TYR 308 Ca 0.05 -0.95 -0.05 0.00 -1.01 0.00 0.00 57.07 55.12 1pwc s TYR 308 Cb -0.10 -1.60 0.07 0.00 -0.11 0.00 0.00 41.96 40.22 1pwc s TYR 308 CO 0.00 -0.39 0.14 0.00 -1.11 0.00 0.00 175.55 174.20 1pwc s ALA 309 N 0.38 0.15 0.01 3.71 0.00 -0.60 -0.87 121.76 124.55 1pwc s ALA 309 Ca -0.18 -0.08 -0.03 0.00 0.00 0.00 0.00 51.96 51.68 1pwc s ALA 309 Cb -0.17 -1.14 -0.01 0.00 0.00 0.00 0.00 23.12 21.79 1pwc s ALA 309 CO 0.08 -1.18 0.03 -0.06 0.00 0.00 0.00 175.76 174.63 1pwc s PHE 310 N 2.21 0.16 0.15 0.00 0.40 -0.12 -0.85 117.98 119.93 1pwc s PHE 310 Ca 0.04 -0.35 0.05 0.00 -0.60 0.00 0.00 56.93 56.07 1pwc s PHE 310 Cb -0.16 -0.13 -0.04 0.00 0.51 0.00 0.00 43.02 43.20 1pwc s PHE 310 CO -0.10 -0.21 -0.11 0.00 0.70 0.00 0.00 175.22 175.50 1pwc s ALA 311 N -1.34 1.48 0.99 5.36 0.00 0.38 -0.70 121.76 127.93 1pwc s ALA 311 Ca -0.14 -1.46 -0.12 0.00 0.00 0.00 0.00 51.96 50.23 1pwc s ALA 311 Cb -0.09 0.02 0.19 0.00 0.00 0.00 0.00 23.12 23.24 1pwc s ALA 311 CO -0.00 -0.06 1.09 -1.54 0.00 0.00 0.00 175.76 175.25 1pwc s SER 312 N -3.06 2.63 0.37 0.00 1.04 -0.11 -0.68 113.70 113.89 1pwc s SER 312 Ca 0.16 1.28 0.08 0.00 0.48 0.00 0.00 55.95 57.94 1pwc s SER 312 Cb 0.01 -1.95 0.81 0.00 0.10 0.00 0.00 66.02 64.98 1pwc s SER 312 CO 0.01 -3.14 1.94 0.50 0.98 0.00 0.00 173.24 173.54 1pwc h LYS 313 N -1.90 0.67 -0.39 4.02 1.63 -1.92 -0.64 116.57 118.04 1pwc h LYS 313 Ca -0.54 -0.04 0.00 0.00 -0.85 0.00 0.00 60.65 59.22 1pwc h LYS 313 Cb 1.32 -0.15 0.00 0.00 -0.60 0.00 0.00 32.23 32.80 1pwc h LYS 313 CO 0.56 0.44 0.00 -0.40 -3.45 0.00 0.00 179.45 176.60 1pwc n ASP 314 N -4.49 2.97 0.00 4.20 5.68 -1.26 -4.62 116.55 119.03 1pwc n ASP 314 Ca 0.12 -1.93 0.00 0.00 -0.50 0.00 0.00 54.79 52.48 1pwc n ASP 314 Cb 0.30 -0.26 0.00 0.00 -1.14 0.00 0.00 41.12 40.03 1pwc n ASP 314 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1pwc n GLY 315 N 1.41 0.69 0.18 6.12 0.00 -0.25 -3.99 105.19 109.35 1pwc n GLY 315 Ca 0.19 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.27 1pwc n GLY 315 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1pwc h LYS 316 N 2.00 0.00 -5.52 1.61 1.57 -1.89 -3.42 116.57 110.93 1pwc h LYS 316 Ca 0.00 0.00 -0.65 0.00 -1.87 0.00 0.00 60.65 58.13 1pwc h LYS 316 Cb 0.05 0.00 -0.32 0.00 0.08 0.00 0.00 32.23 32.03 1pwc h LYS 316 CO 0.00 0.35 -0.87 0.50 -0.57 0.00 0.00 179.45 178.86 1pwc s ARG 317 N -3.35 2.59 0.05 3.15 3.52 -1.26 -0.66 118.95 122.98 1pwc s ARG 317 Ca 0.02 -0.82 0.02 0.00 -0.13 0.00 0.00 55.73 54.83 1pwc s ARG 317 Cb 0.09 -2.08 -0.02 0.00 -1.56 0.00 0.00 34.95 31.38 1pwc s ARG 317 CO 0.69 0.25 -0.08 -1.54 -0.81 0.00 0.00 175.30 173.81 1pwc s SER 318 N 0.14 0.94 -0.01 -2.12 1.04 -0.74 -0.94 113.70 112.01 1pwc s SER 318 Ca -0.11 -0.57 0.00 0.00 0.48 0.00 0.00 55.95 55.76 1pwc s SER 318 Cb -0.15 0.03 0.02 0.00 0.10 0.00 0.00 66.02 66.01 1pwc s SER 318 CO 0.06 -0.20 0.01 0.68 0.98 0.00 0.00 173.24 174.77 1pwc s VAL 319 N -1.42 0.02 -0.07 5.02 -7.23 0.13 -0.45 120.40 116.40 1pwc s VAL 319 Ca -0.09 0.10 0.02 0.00 -1.81 0.00 0.00 61.98 60.20 1pwc s VAL 319 Cb -0.10 -0.10 0.02 0.00 0.56 0.00 0.00 36.38 36.76 1pwc s VAL 319 CO 0.00 0.07 -0.10 -0.89 -0.31 0.00 0.00 175.10 173.87 1pwc s THR 320 N 0.65 1.01 0.05 5.32 2.01 -0.64 -0.94 115.64 123.10 1pwc s THR 320 Ca -0.06 -0.39 0.07 0.00 0.31 0.00 0.00 61.69 61.63 1pwc s THR 320 Cb -0.08 -0.95 -0.03 0.00 0.01 0.00 0.00 72.50 71.45 1pwc s THR 320 CO -0.02 0.33 -0.19 0.00 -0.69 0.00 0.00 174.62 174.05 1pwc s ALA 321 N 0.87 1.65 -0.05 7.40 0.00 -0.05 -1.06 121.76 130.52 1pwc s ALA 321 Ca -0.11 -1.03 -0.03 0.00 0.00 0.00 0.00 51.96 50.79 1pwc s ALA 321 Cb -0.15 -0.30 0.03 0.00 0.00 0.00 0.00 23.12 22.69 1pwc s ALA 321 CO 0.01 0.36 0.11 -1.17 0.00 0.00 0.00 175.76 175.07 1pwc s LEU 322 N -1.24 1.11 -0.07 0.00 1.98 -0.25 -1.09 118.68 119.12 1pwc s LEU 322 Ca 0.06 0.22 0.05 0.00 -2.89 0.00 0.00 54.13 51.57 1pwc s LEU 322 Cb -0.09 0.28 -0.00 0.00 0.66 0.00 0.00 46.19 47.04 1pwc s LEU 322 CO 0.02 -0.10 -0.22 0.00 -1.89 0.00 0.00 176.35 174.15 1pwc s ALA 323 N 0.75 1.97 -0.58 5.97 0.00 -0.57 -0.47 121.76 128.83 1pwc s ALA 323 Ca -0.06 -0.90 -0.04 0.00 0.00 0.00 0.00 51.96 50.96 1pwc s ALA 323 Cb -0.08 -0.67 0.10 0.00 0.00 0.00 0.00 23.12 22.47 1pwc s ALA 323 CO -0.03 0.33 2.66 0.27 0.00 0.00 0.00 175.76 178.98 1pwc n ASN 324 N 3.23 6.73 -4.26 0.00 6.94 -0.84 -1.12 115.26 125.94 1pwc n ASN 324 Ca -0.18 -3.27 -0.14 0.00 -0.02 0.00 0.00 54.58 50.97 1pwc n ASN 324 Cb 0.52 -1.23 -0.10 0.00 -2.36 0.00 0.00 39.78 36.61 1pwc n ASN 324 CO 0.00 0.00 0.00 0.28 -1.03 0.00 0.00 177.26 176.51 1pwc s THR 325 N -2.44 0.37 0.34 5.53 -1.32 -0.70 -2.02 115.64 115.40 1pwc s THR 325 Ca 0.58 -1.99 -0.00 0.00 -1.21 0.00 0.00 61.69 59.06 1pwc s THR 325 Cb 0.37 -2.49 -0.00 0.00 -1.51 0.00 0.00 72.50 68.86 1pwc s THR 325 CO -0.23 -0.09 0.43 -0.94 -2.21 0.00 0.00 174.62 171.59 1pwc s SER 326 N -3.23 1.07 -1.39 8.08 1.04 -1.14 -2.67 113.70 115.46 1pwc s SER 326 Ca 0.36 -1.54 -0.08 0.00 0.48 0.00 0.00 55.95 55.16 1pwc s SER 326 Cb 0.07 0.64 0.03 0.00 0.10 0.00 0.00 66.02 66.87 1pwc s SER 326 CO 0.11 -1.25 1.05 -3.20 0.98 0.00 0.00 173.24 170.93 1pwc n ASN 327 N -1.44 -4.78 -3.43 7.02 5.15 -1.26 -1.77 115.26 114.75 1pwc n ASN 327 Ca 0.02 -0.66 -0.24 0.00 -0.60 0.00 0.00 54.58 53.10 1pwc n ASN 327 Cb 0.62 -4.58 -0.11 0.00 -0.53 0.00 0.00 39.78 35.18 1pwc n ASN 327 CO 0.00 0.00 0.00 0.21 1.40 0.00 0.00 177.26 178.87 1pwc s ASN 328 N -3.56 2.33 0.38 1.20 3.84 -1.26 -4.62 114.94 113.25 1pwc s ASN 328 Ca 0.48 -1.82 0.18 0.00 0.21 0.00 0.00 52.86 51.90 1pwc s ASN 328 Cb -0.22 -0.01 0.76 0.00 -0.55 0.00 0.00 41.25 41.22 1pwc s ASN 328 CO 0.77 -0.31 1.78 -0.37 -2.79 0.00 0.00 177.10 176.19 1pwc h VAL 329 N 5.22 0.98 -0.53 -5.21 -1.51 -1.97 -1.42 116.25 111.81 1pwc h VAL 329 Ca 0.02 -1.40 -0.01 0.00 -1.23 0.00 0.00 66.70 64.08 1pwc h VAL 329 Cb 1.01 1.82 -0.02 0.00 -2.13 0.00 0.00 31.29 31.97 1pwc h VAL 329 CO 0.26 0.36 0.29 0.78 -1.23 0.00 0.00 177.57 178.03 1pwc h ASN 330 N 0.00 0.67 -0.56 4.19 2.35 -1.95 -0.04 115.58 120.23 1pwc h ASN 330 Ca -0.00 -0.10 -0.03 0.00 -0.55 0.00 0.00 56.30 55.62 1pwc h ASN 330 Cb 0.79 -0.17 -0.02 0.00 0.05 0.00 0.00 38.32 38.97 1pwc h ASN 330 CO 0.05 0.57 0.23 0.58 -1.65 0.00 0.00 177.43 177.21 1pwc h VAL 331 N 0.71 1.22 -0.19 2.81 2.07 -1.65 0.11 116.25 121.33 1pwc h VAL 331 Ca 0.19 -0.68 0.04 0.00 0.82 0.00 0.00 66.70 67.06 1pwc h VAL 331 Cb 0.05 0.62 -0.03 0.00 -1.52 0.00 0.00 31.29 30.41 1pwc h VAL 331 CO -0.03 0.26 -0.04 0.25 0.02 0.00 0.00 177.57 178.04 1pwc h LEU 332 N 0.77 -0.15 -0.57 2.57 5.85 -0.88 -0.20 115.31 122.70 1pwc h LEU 332 Ca 0.19 0.05 -0.03 0.00 0.84 0.00 0.00 57.88 58.93 1pwc h LEU 332 Cb 0.19 0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.31 1pwc h LEU 332 CO -0.02 -0.05 0.25 0.78 -0.34 0.00 0.00 178.44 179.07 1pwc h ASN 333 N 0.02 0.77 -0.50 1.25 2.35 -0.85 -2.72 115.58 115.89 1pwc h ASN 333 Ca 0.09 -0.15 -0.01 0.00 -0.55 0.00 0.00 56.30 55.68 1pwc h ASN 333 Cb 0.13 -0.20 -0.02 0.00 0.05 0.00 0.00 38.32 38.28 1pwc h ASN 333 CO -0.19 0.70 0.27 0.74 -1.65 0.00 0.00 177.43 177.31 1pwc h THR 334 N 0.78 1.17 0.00 2.81 2.02 -0.57 -2.77 112.91 116.35 1pwc h THR 334 Ca 0.19 -0.45 -0.03 0.00 0.77 0.00 0.00 66.41 66.89 1pwc h THR 334 Cb 0.16 0.55 -0.00 0.00 -1.74 0.00 0.00 68.15 67.12 1pwc h THR 334 CO -0.02 0.19 -0.15 0.24 0.37 0.00 0.00 175.52 176.14 1pwc h MET 335 N 0.67 0.00 -0.07 6.66 2.86 -0.83 -0.25 114.93 123.97 1pwc h MET 335 Ca 0.18 0.00 0.02 0.00 -2.06 0.00 0.00 59.70 57.84 1pwc h MET 335 Cb 0.05 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.71 1pwc h MET 335 CO -0.03 0.15 0.07 0.00 1.06 0.00 0.00 176.91 178.16 1pwc h ALA 336 N 1.85 1.71 0.00 6.32 0.00 -1.18 -1.84 119.26 126.11 1pwc h ALA 336 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1pwc h ALA 336 Cb 0.32 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.12 1pwc h ALA 336 CO 0.02 -0.10 0.00 0.00 0.00 0.00 0.00 179.25 179.17 1pwc h ARG 337 N 0.00 0.00 0.00 0.00 3.08 -1.12 -1.94 114.38 114.40 1pwc h ARG 337 Ca 0.03 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.08 1pwc h ARG 337 Cb 0.17 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.22 1pwc h ARG 337 CO -0.00 0.00 -0.02 1.79 -1.07 0.00 0.00 179.97 180.67 1pwc h THR 338 N 0.00 0.94 -0.43 2.04 1.35 -1.48 -1.53 112.91 113.80 1pwc h THR 338 Ca 0.00 -0.08 -0.10 0.00 -0.55 0.00 0.00 66.41 65.67 1pwc h THR 338 Cb 0.27 1.05 -0.01 0.00 -1.73 0.00 0.00 68.15 67.72 1pwc h THR 338 CO 0.00 0.02 -0.13 -0.07 -0.25 0.00 0.00 175.52 175.09 1pwc h LEU 339 N 0.00 0.86 0.20 3.87 3.38 -1.55 0.06 115.31 122.13 1pwc h LEU 339 Ca -0.00 -0.37 -0.00 0.00 0.09 0.00 0.00 57.88 57.59 1pwc h LEU 339 Cb 0.04 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 40.55 1pwc h LEU 339 CO 0.00 1.04 -0.13 -0.33 0.09 0.00 0.00 178.44 179.11 1pwc h GLU 340 N 0.67 -0.31 -0.49 1.13 4.39 -1.54 -1.10 114.58 117.33 1pwc h GLU 340 Ca 0.11 0.02 -0.07 0.00 0.34 0.00 0.00 59.36 59.76 1pwc h GLU 340 Cb 0.67 0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 29.37 1pwc h GLU 340 CO 0.05 -0.21 0.02 0.77 -1.16 0.00 0.00 179.01 178.48 1pwc h SER 341 N -0.33 0.76 0.68 1.42 0.02 -1.19 0.15 113.55 115.06 1pwc h SER 341 Ca -0.02 -0.18 -0.21 0.00 -0.84 0.00 0.00 61.79 60.55 1pwc h SER 341 Cb 0.28 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.60 1pwc h SER 341 CO 0.01 0.82 -0.93 0.00 -1.14 0.00 0.00 176.83 175.59 1pwc h ALA 342 N 1.27 0.46 0.00 3.77 0.00 -0.90 -0.96 119.26 122.89 1pwc h ALA 342 Ca 0.15 -0.77 -0.36 0.00 0.00 0.00 0.00 54.91 53.93 1pwc h ALA 342 Cb 0.43 -0.08 -0.06 0.00 0.00 0.00 0.00 17.79 18.07 1pwc h ALA 342 CO 0.02 0.99 -2.31 1.19 0.00 0.00 0.00 179.25 179.13 1pwc n PHE 343 N -3.59 0.00 0.11 0.00 3.72 -0.43 -4.04 117.46 113.24 1pwc n PHE 343 Ca -0.03 0.00 0.06 0.00 -0.05 0.00 0.00 57.45 57.42 1pwc n PHE 343 Cb 0.85 -0.87 0.01 0.00 -0.94 0.00 0.00 39.48 38.53 1pwc n PHE 343 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1pwc n GLY 345 N 1.24 -1.07 3.74 0.00 0.00 -0.98 -4.77 105.19 103.36 1pwc n GLY 345 Ca -0.02 -1.19 -0.42 0.00 0.00 0.00 0.00 46.02 44.40 1pwc n GLY 345 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pwc s LYS 346 N 0.00 4.26 0.00 1.61 1.02 -1.26 -4.73 119.74 120.64 1pwc s LYS 346 Ca 0.00 2.30 0.28 0.00 0.02 0.00 0.00 55.97 58.57 1pwc s LYS 346 Cb 0.00 -3.12 1.65 0.00 -0.52 0.00 0.00 37.83 35.84 1pwc s LYS 346 CO 0.00 -0.46 2.00 -0.35 -0.92 0.00 0.00 175.35 175.62