#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xpq s LYS 9 N 0.00 3.45 -0.02 1.97 -0.14 -0.54 -5.03 119.74 119.42 1xpq s LYS 9 Ca 0.00 -0.28 -0.11 0.00 -1.36 0.00 0.00 55.97 54.21 1xpq s LYS 9 Cb 0.00 -3.11 -0.06 0.00 -1.68 0.00 0.00 37.83 32.98 1xpq s LYS 9 CO 0.00 0.69 0.61 0.87 -0.76 0.00 0.00 175.35 176.75 1xpq h LYS 10 N 3.98 -0.39 -5.29 1.68 1.79 -1.39 -2.00 116.57 114.95 1xpq h LYS 10 Ca -0.50 0.03 -0.52 0.00 -2.18 0.00 0.00 60.65 57.47 1xpq h LYS 10 Cb 1.19 0.09 -0.30 0.00 -1.58 0.00 0.00 32.23 31.63 1xpq h LYS 10 CO 0.67 -0.26 -0.82 0.08 -1.08 0.00 0.00 179.45 178.04 1xpq s VAL 11 N -2.97 1.26 -0.14 0.50 1.01 -1.24 -1.60 120.40 117.21 1xpq s VAL 11 Ca -0.06 -0.65 0.01 0.00 0.00 0.00 0.00 61.98 61.28 1xpq s VAL 11 Cb 0.01 -1.07 0.02 0.00 0.00 0.00 0.00 36.38 35.33 1xpq s VAL 11 CO 0.18 0.36 -0.18 -0.63 0.00 0.00 0.00 175.10 174.84 1xpq s ILE 12 N -0.12 1.78 -0.21 2.22 1.01 -0.58 -1.76 121.20 123.53 1xpq s ILE 12 Ca 0.01 -0.78 -0.07 0.00 0.00 0.00 0.00 60.65 59.80 1xpq s ILE 12 Cb -0.09 -1.62 -0.04 0.00 0.01 0.00 0.00 42.46 40.73 1xpq s ILE 12 CO 0.01 0.49 0.07 -0.63 0.00 0.00 0.00 174.94 174.88 1xpq s ILE 13 N 1.17 4.59 -0.16 2.92 1.01 -0.05 -0.80 121.20 129.88 1xpq s ILE 13 Ca -0.01 -0.09 -0.15 0.00 0.00 0.00 0.00 60.65 60.40 1xpq s ILE 13 Cb -0.14 -3.10 -0.04 0.00 0.01 0.00 0.00 42.46 39.18 1xpq s ILE 13 CO -0.07 0.40 0.33 -0.63 0.00 0.00 0.00 174.94 174.98 1xpq s ILE 14 N 0.92 5.28 0.00 2.92 1.01 -0.86 -1.61 121.20 128.85 1xpq s ILE 14 Ca 0.04 0.63 0.00 0.00 0.00 0.00 0.00 60.65 61.32 1xpq s ILE 14 Cb -0.14 -3.67 0.00 0.00 0.01 0.00 0.00 42.46 38.66 1xpq s ILE 14 CO 0.03 0.37 0.00 0.61 0.00 0.00 0.00 174.94 175.94 1xpq n GLY 15 N 3.42 -0.65 1.89 6.18 0.00 0.61 -0.83 105.19 115.81 1xpq n GLY 15 Ca -0.11 -1.30 -0.22 0.00 0.00 0.00 0.00 46.02 44.39 1xpq n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xpq n ALA 16 N 0.66 5.12 -1.00 4.61 0.00 -1.26 -4.33 120.51 124.31 1xpq n ALA 16 Ca 0.00 -3.62 0.00 0.00 0.00 0.00 0.00 53.44 49.82 1xpq n ALA 16 Cb 0.00 -0.67 0.00 0.00 0.00 0.00 0.00 19.45 18.78 1xpq n ALA 16 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xpq n GLY 17 N -0.83 -1.66 0.21 0.00 0.00 -1.26 -1.51 105.19 100.14 1xpq n GLY 17 Ca 0.45 -1.58 0.05 0.00 0.00 0.00 0.00 46.02 44.94 1xpq n GLY 17 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1xpq h ILE 18 N -1.17 1.12 0.90 -0.61 2.10 -1.95 -0.88 117.51 117.01 1xpq h ILE 18 Ca 0.00 -1.02 -0.04 0.00 1.08 0.00 0.00 64.86 64.88 1xpq h ILE 18 Cb 0.00 1.56 0.01 0.00 -1.09 0.00 0.00 36.82 37.30 1xpq h ILE 18 CO 0.00 0.28 -0.43 0.00 -1.08 0.00 0.00 178.15 176.92 1xpq h ALA 19 N 1.71 -1.20 0.00 0.18 0.00 -1.90 -0.92 119.26 117.13 1xpq h ALA 19 Ca -0.00 -0.26 -0.04 0.00 0.00 0.00 0.00 54.91 54.60 1xpq h ALA 19 Cb 0.54 0.47 -0.01 0.00 0.00 0.00 0.00 17.79 18.79 1xpq h ALA 19 CO 0.04 -1.16 -0.21 0.78 0.00 0.00 0.00 179.25 178.69 1xpq h GLY 20 N -1.22 0.00 1.12 0.00 0.00 -1.72 -1.81 103.07 99.44 1xpq h GLY 20 Ca -0.12 0.00 -0.20 0.00 0.00 0.00 0.00 47.33 47.01 1xpq h GLY 20 CO 0.20 0.00 -0.64 1.41 0.00 0.00 0.00 176.54 177.51 1xpq h LEU 21 N 0.00 0.91 -0.77 3.11 3.38 -0.98 -0.75 115.31 120.21 1xpq h LEU 21 Ca -0.00 -0.59 -0.13 0.00 0.09 0.00 0.00 57.88 57.25 1xpq h LEU 21 Cb 0.46 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 1xpq h LEU 21 CO 0.03 1.35 -0.55 0.50 0.09 0.00 0.00 178.44 179.85 1xpq h LYS 22 N 0.53 0.19 -0.46 1.13 3.11 -1.02 -0.85 116.57 119.21 1xpq h LYS 22 Ca -0.02 -0.12 -0.03 0.00 -2.81 0.00 0.00 60.65 57.67 1xpq h LYS 22 Cb 1.27 0.01 -0.02 0.00 -1.00 0.00 0.00 32.23 32.49 1xpq h LYS 22 CO 0.14 0.69 0.16 0.00 -2.81 0.00 0.00 179.45 177.63 1xpq h ALA 23 N 1.29 0.60 -0.05 5.00 0.00 -1.12 0.47 119.26 125.44 1xpq h ALA 23 Ca -0.00 -0.16 -0.16 0.00 0.00 0.00 0.00 54.91 54.59 1xpq h ALA 23 Cb 1.02 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.62 1xpq h ALA 23 CO 0.08 0.23 -0.66 0.00 0.00 0.00 0.00 179.25 178.90 1xpq h ALA 24 N 1.01 0.79 -0.46 0.00 0.00 -1.02 -2.36 119.26 117.21 1xpq h ALA 24 Ca 0.15 -0.58 -0.02 0.00 0.00 0.00 0.00 54.91 54.46 1xpq h ALA 24 Cb 0.23 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 1xpq h ALA 24 CO -0.01 0.77 0.20 1.03 0.00 0.00 0.00 179.25 181.24 1xpq h SER 25 N 0.15 0.62 -0.04 0.00 0.87 -0.49 -1.34 113.55 113.33 1xpq h SER 25 Ca -0.01 -0.15 -0.01 0.00 -1.23 0.00 0.00 61.79 60.39 1xpq h SER 25 Cb 1.19 -0.16 -0.00 0.00 -0.44 0.00 0.00 62.40 62.99 1xpq h SER 25 CO 0.10 0.60 -0.01 0.74 -0.53 0.00 0.00 176.83 177.73 1xpq h THR 26 N 0.61 1.30 -0.37 2.23 2.02 -0.02 -1.26 112.91 117.42 1xpq h THR 26 Ca 0.16 -0.92 0.07 0.00 0.77 0.00 0.00 66.41 66.49 1xpq h THR 26 Cb 0.16 1.84 -0.09 0.00 -1.74 0.00 0.00 68.15 68.33 1xpq h THR 26 CO -0.02 0.25 -0.35 -0.07 0.37 0.00 0.00 175.52 175.70 1xpq h LEU 27 N -0.29 -1.14 -0.41 2.58 3.38 -1.34 0.85 115.31 118.94 1xpq h LEU 27 Ca 0.01 0.19 0.05 0.00 0.09 0.00 0.00 57.88 58.22 1xpq h LEU 27 Cb 0.40 0.52 -0.05 0.00 0.09 0.00 0.00 40.66 41.63 1xpq h LEU 27 CO 0.00 -0.34 0.15 -0.74 0.09 0.00 0.00 178.44 177.60 1xpq h HIS 28 N -0.29 0.26 -0.15 1.13 2.76 -1.19 -0.63 115.15 117.03 1xpq h HIS 28 Ca 0.16 0.02 0.04 0.00 -2.20 0.00 0.00 60.37 58.39 1xpq h HIS 28 Cb 0.55 -0.06 -0.01 0.00 1.55 0.00 0.00 27.41 29.45 1xpq h HIS 28 CO -0.54 0.10 0.12 0.37 -1.30 0.00 0.00 177.93 176.68 1xpq h GLN 29 N 0.31 0.00 -0.33 5.26 4.15 0.07 -0.68 115.11 123.89 1xpq h GLN 29 Ca 0.19 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.61 1xpq h GLN 29 Cb 0.18 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.87 1xpq h GLN 29 CO -0.19 0.00 0.00 0.09 -1.93 0.00 0.00 178.83 176.80 1xpq n ASN 30 N -4.34 2.09 0.00 -0.69 3.02 0.15 -4.93 115.26 110.56 1xpq n ASN 30 Ca 0.01 -1.91 0.00 0.00 -0.03 0.00 0.00 54.58 52.64 1xpq n ASN 30 Cb 0.24 -0.22 0.00 0.00 -0.61 0.00 0.00 39.78 39.19 1xpq n ASN 30 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1xpq n GLY 31 N 1.16 1.38 3.75 7.41 0.00 -0.26 -4.99 105.19 113.64 1xpq n GLY 31 Ca 0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.76 1xpq n GLY 31 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1xpq s ILE 32 N -3.26 3.28 0.34 -0.61 -1.09 -0.98 -5.00 121.20 113.88 1xpq s ILE 32 Ca 0.00 1.19 0.01 0.00 -2.23 0.00 0.00 60.65 59.63 1xpq s ILE 32 Cb 0.00 -3.76 0.01 0.00 -1.58 0.00 0.00 42.46 37.14 1xpq s ILE 32 CO 0.00 0.24 0.12 0.00 -1.23 0.00 0.00 174.94 174.07 1xpq n GLN 33 N 1.66 1.10 -3.62 2.79 6.02 -1.26 -4.28 117.38 119.79 1xpq n GLN 33 Ca 0.02 -2.30 -0.22 0.00 -0.01 0.00 0.00 57.00 54.49 1xpq n GLN 33 Cb 0.44 0.46 0.01 0.00 1.02 0.00 0.00 30.24 32.16 1xpq n GLN 33 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 1xpq n ASP 34 N -1.52 -5.60 -4.29 1.08 8.00 -1.26 -4.49 116.55 108.48 1xpq n ASP 34 Ca -0.08 -0.79 -0.20 0.00 0.71 0.00 0.00 54.79 54.42 1xpq n ASP 34 Cb 0.41 -2.87 -0.11 0.00 -0.02 0.00 0.00 41.12 38.53 1xpq n ASP 34 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1xpq s LEU 36 N -2.49 2.50 -0.25 0.00 1.43 -0.72 -4.51 118.68 114.63 1xpq s LEU 36 Ca 0.12 -0.94 -0.03 0.00 -1.03 0.00 0.00 54.13 52.25 1xpq s LEU 36 Cb -0.06 -0.77 0.09 0.00 0.03 0.00 0.00 46.19 45.48 1xpq s LEU 36 CO 0.05 -0.09 0.10 -0.69 0.23 0.00 0.00 176.35 175.95 1xpq s VAL 37 N -2.48 0.18 -0.35 -1.59 1.01 -0.41 -0.87 120.40 115.89 1xpq s VAL 37 Ca 0.19 -0.72 -0.16 0.00 0.00 0.00 0.00 61.98 61.29 1xpq s VAL 37 Cb -0.04 -1.02 -0.00 0.00 0.00 0.00 0.00 36.38 35.32 1xpq s VAL 37 CO 0.07 -0.55 0.42 -0.76 0.00 0.00 0.00 175.10 174.28 1xpq s LEU 38 N 1.99 4.47 -0.12 3.92 1.43 -0.63 -0.74 118.68 129.00 1xpq s LEU 38 Ca 0.06 -0.23 0.00 0.00 -1.03 0.00 0.00 54.13 52.94 1xpq s LEU 38 Cb -0.16 -2.42 -0.02 0.00 0.03 0.00 0.00 46.19 43.62 1xpq s LEU 38 CO -0.25 -0.41 -0.13 -0.70 0.23 0.00 0.00 176.35 175.09 1xpq s GLU 39 N 2.15 3.25 0.37 1.70 2.56 -0.82 -0.28 118.70 127.63 1xpq s GLU 39 Ca 0.14 -0.67 0.18 0.00 0.00 0.00 0.00 54.97 54.61 1xpq s GLU 39 Cb -0.16 -2.61 0.70 0.00 2.00 0.00 0.00 34.13 34.06 1xpq s GLU 39 CO 0.12 0.29 1.75 0.00 -0.56 0.00 0.00 175.26 176.86 1xpq h ALA 40 N 6.45 1.04 -1.53 6.30 0.00 -1.89 0.29 119.26 129.92 1xpq h ALA 40 Ca -0.30 -0.35 -0.46 0.00 0.00 0.00 0.00 54.91 53.81 1xpq h ALA 40 Cb 1.20 -0.06 0.07 0.00 0.00 0.00 0.00 17.79 19.00 1xpq h ALA 40 CO 0.55 0.48 0.05 1.03 0.00 0.00 0.00 179.25 181.36 1xpq s ARG 41 N -3.69 2.05 -0.03 0.00 0.52 -1.26 -4.29 118.95 112.25 1xpq s ARG 41 Ca -0.00 -0.98 0.12 0.00 -0.52 0.00 0.00 55.73 54.34 1xpq s ARG 41 Cb 0.12 -2.40 0.39 0.00 0.52 0.00 0.00 34.95 33.57 1xpq s ARG 41 CO 0.69 -1.14 1.29 -0.40 0.02 0.00 0.00 175.30 175.76 1xpq n ASP 42 N -2.63 2.51 -4.11 0.23 3.85 -1.26 -2.01 116.55 113.13 1xpq n ASP 42 Ca 0.12 -2.10 -0.10 0.00 -0.71 0.00 0.00 54.79 51.99 1xpq n ASP 42 Cb 0.60 -0.34 -0.09 0.00 -1.35 0.00 0.00 41.12 39.94 1xpq n ASP 42 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 1xpq s ARG 43 N -1.55 1.17 0.62 0.11 1.70 -1.26 -4.91 118.95 114.83 1xpq s ARG 43 Ca 0.28 -1.44 0.05 0.00 -0.47 0.00 0.00 55.73 54.15 1xpq s ARG 43 Cb 0.16 0.31 0.09 0.00 -0.57 0.00 0.00 34.95 34.95 1xpq s ARG 43 CO 0.17 -0.40 0.86 0.14 -1.08 0.00 0.00 175.30 174.98 1xpq s VAL 44 N -4.07 2.25 0.00 4.99 -7.23 -1.26 -4.60 120.40 110.48 1xpq s VAL 44 Ca 0.28 -0.81 0.00 0.00 -1.81 0.00 0.00 61.98 59.64 1xpq s VAL 44 Cb 0.05 -2.44 0.00 0.00 0.56 0.00 0.00 36.38 34.55 1xpq s VAL 44 CO 0.07 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.47 1xpq n GLY 45 N -2.46 3.22 7.00 2.32 0.00 -0.57 -4.92 105.19 109.78 1xpq n GLY 45 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 1xpq n GLY 45 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xpq n GLY 46 N -1.05 2.26 0.32 -0.02 0.00 -1.24 0.83 105.19 106.30 1xpq n GLY 46 Ca 0.00 0.40 0.00 0.00 0.00 0.00 0.00 46.02 46.42 1xpq n GLY 46 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xpq n ARG 47 N 5.86 0.82 -4.01 1.61 1.74 -1.26 -4.36 116.66 117.05 1xpq n ARG 47 Ca 0.00 0.00 -0.32 0.00 -0.77 0.00 0.00 57.85 56.76 1xpq n ARG 47 Cb 0.00 -1.27 -0.15 0.00 -1.02 0.00 0.00 32.46 30.03 1xpq n ARG 47 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1xpq s LEU 48 N -0.35 4.34 -0.14 0.55 1.43 0.24 -2.51 118.68 122.24 1xpq s LEU 48 Ca 0.00 -1.86 -0.03 0.00 -1.03 0.00 0.00 54.13 51.22 1xpq s LEU 48 Cb 0.00 -1.62 0.05 0.00 0.03 0.00 0.00 46.19 44.64 1xpq s LEU 48 CO 0.00 -0.33 0.03 -1.58 0.23 0.00 0.00 176.35 174.71 1xpq s GLN 49 N 1.00 0.49 -0.29 1.70 0.74 -1.26 -4.50 119.66 117.54 1xpq s GLN 49 Ca 0.03 -0.13 -0.16 0.00 0.05 0.00 0.00 55.36 55.16 1xpq s GLN 49 Cb -0.20 -1.58 -0.03 0.00 1.10 0.00 0.00 33.01 32.31 1xpq s GLN 49 CO -0.06 -0.51 0.40 0.99 -0.55 0.00 0.00 175.29 175.56 1xpq s THR 50 N 1.96 5.14 0.30 -0.34 2.01 -1.26 -1.22 115.64 122.23 1xpq s THR 50 Ca 0.02 0.47 0.07 0.00 0.31 0.00 0.00 61.69 62.55 1xpq s THR 50 Cb -0.15 -3.77 -0.02 0.00 0.01 0.00 0.00 72.50 68.57 1xpq s THR 50 CO -0.07 0.06 0.33 0.68 -0.69 0.00 0.00 174.62 174.93 1xpq s VAL 51 N 2.12 4.26 -0.14 3.82 -7.23 0.26 -4.84 120.40 118.65 1xpq s VAL 51 Ca 0.15 -1.19 0.00 0.00 -1.81 0.00 0.00 61.98 59.13 1xpq s VAL 51 Cb -0.16 -3.44 -0.01 0.00 0.56 0.00 0.00 36.38 33.33 1xpq s VAL 51 CO 0.11 -0.24 -0.14 -0.89 -0.31 0.00 0.00 175.10 173.62 1xpq s THR 52 N -2.16 2.85 0.00 5.32 2.01 -1.26 -0.74 115.64 121.66 1xpq s THR 52 Ca 0.39 -0.72 0.00 0.00 0.31 0.00 0.00 61.69 61.67 1xpq s THR 52 Cb -0.08 -2.20 0.00 0.00 0.01 0.00 0.00 72.50 70.23 1xpq s THR 52 CO 0.28 0.52 0.00 0.61 -0.69 0.00 0.00 174.62 175.34 1xpq n GLY 53 N 3.83 4.05 3.67 4.40 0.00 -1.04 -4.98 105.19 115.12 1xpq n GLY 53 Ca -0.19 -1.19 -0.49 0.00 0.00 0.00 0.00 46.02 44.15 1xpq n GLY 53 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1xpq n TYR 54 N 0.00 2.18 -3.90 1.61 9.36 -1.26 -2.87 117.16 122.28 1xpq n TYR 54 Ca 0.00 0.23 -0.29 0.00 3.32 0.00 0.00 57.90 61.16 1xpq n TYR 54 Cb 0.00 -2.56 0.03 0.00 -0.63 0.00 0.00 39.34 36.18 1xpq n TYR 54 CO 0.00 0.00 0.00 1.04 0.22 0.00 0.00 176.86 178.12 1xpq n GLN 55 N 4.80 -5.46 -1.34 2.98 1.13 -1.26 -2.93 117.38 115.29 1xpq n GLN 55 Ca 0.20 0.60 -0.12 0.00 -1.94 0.00 0.00 57.00 55.74 1xpq n GLN 55 Cb 0.26 -5.45 -0.05 0.00 0.11 0.00 0.00 30.24 25.11 1xpq n GLN 55 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1xpq n GLY 56 N -1.69 1.23 3.79 1.08 0.00 -1.14 -5.00 105.19 103.46 1xpq n GLY 56 Ca 0.01 -0.22 -0.32 0.00 0.00 0.00 0.00 46.02 45.49 1xpq n GLY 56 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1xpq s ARG 57 N -2.87 2.68 -0.01 1.61 0.52 -1.15 -4.87 118.95 114.87 1xpq s ARG 57 Ca 0.00 1.16 0.06 0.00 -0.52 0.00 0.00 55.73 56.42 1xpq s ARG 57 Cb 0.00 -1.95 -0.01 0.00 0.52 0.00 0.00 34.95 33.51 1xpq s ARG 57 CO 0.00 -1.31 -0.18 0.15 0.02 0.00 0.00 175.30 173.98 1xpq s LYS 58 N -4.68 1.45 -0.01 3.54 1.02 -1.26 -2.51 119.74 117.28 1xpq s LYS 58 Ca 0.62 -0.65 0.01 0.00 0.02 0.00 0.00 55.97 55.96 1xpq s LYS 58 Cb -0.17 -1.40 0.01 0.00 -0.52 0.00 0.00 37.83 35.75 1xpq s LYS 58 CO 0.50 0.38 -0.02 0.71 -0.92 0.00 0.00 175.35 176.01 1xpq s TYR 59 N -0.44 0.34 -1.25 3.18 1.51 0.09 -4.93 117.35 115.85 1xpq s TYR 59 Ca 0.07 -0.05 -0.18 0.00 -1.01 0.00 0.00 57.07 55.90 1xpq s TYR 59 Cb -0.07 -0.30 0.08 0.00 -0.11 0.00 0.00 41.96 41.56 1xpq s TYR 59 CO -0.01 -0.06 1.67 -0.51 -1.11 0.00 0.00 175.55 175.53 1xpq s ASP 60 N 0.36 6.81 0.17 2.29 1.01 -1.26 0.90 116.67 126.94 1xpq s ASP 60 Ca -0.03 -2.34 0.13 0.00 0.71 0.00 0.00 52.55 51.01 1xpq s ASP 60 Cb -0.06 -2.56 0.66 0.00 1.01 0.00 0.00 42.92 41.96 1xpq s ASP 60 CO -0.01 -1.18 1.39 0.00 0.21 0.00 0.00 175.17 175.58 1xpq n ILE 61 N 6.32 1.41 0.00 0.77 0.13 -0.36 -4.43 119.36 123.21 1xpq n ILE 61 Ca 0.45 0.58 0.00 0.00 -1.10 0.00 0.00 62.75 62.69 1xpq n ILE 61 Cb 0.47 -1.57 0.00 0.00 -0.84 0.00 0.00 39.64 37.70 1xpq n ILE 61 CO 0.00 0.00 0.00 0.61 2.80 0.00 0.00 176.55 179.96 1xpq n GLY 62 N -1.23 2.00 3.68 4.50 0.00 -1.11 -4.75 105.19 108.28 1xpq n GLY 62 Ca -0.00 -1.57 -0.38 0.00 0.00 0.00 0.00 46.02 44.07 1xpq n GLY 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xpq n ALA 63 N -3.00 0.86 0.00 4.61 0.00 -1.05 -4.91 120.51 117.02 1xpq n ALA 63 Ca 0.00 0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.51 1xpq n ALA 63 Cb 0.00 -2.23 0.00 0.00 0.00 0.00 0.00 19.45 17.22 1xpq n ALA 63 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1xpq n SER 64 N -0.91 1.22 -4.44 0.00 2.88 -1.26 -4.76 113.62 106.35 1xpq n SER 64 Ca 0.12 0.00 -0.23 0.00 -1.33 0.00 0.00 58.87 57.43 1xpq n SER 64 Cb 0.46 0.19 -0.10 0.00 -0.75 0.00 0.00 64.21 64.00 1xpq n SER 64 CO 0.00 0.00 0.00 0.26 -1.23 0.00 0.00 175.04 174.07 1xpq s TRP 65 N -0.83 2.18 -0.47 0.66 0.51 -1.26 -1.06 118.94 118.67 1xpq s TRP 65 Ca 0.00 -0.38 -0.15 0.00 -2.12 0.00 0.00 56.10 53.45 1xpq s TRP 65 Cb 0.00 -0.96 0.07 0.00 -0.81 0.00 0.00 33.47 31.77 1xpq s TRP 65 CO 0.00 0.64 0.39 -1.01 -0.51 0.00 0.00 176.95 176.45 1xpq s HIS 66 N -2.52 3.25 0.67 -1.98 3.76 0.14 -4.89 115.29 113.72 1xpq s HIS 66 Ca 0.28 -0.95 -0.06 0.00 -0.15 0.00 0.00 55.06 54.17 1xpq s HIS 66 Cb -0.04 -3.15 0.05 0.00 1.11 0.00 0.00 32.58 30.54 1xpq s HIS 66 CO 0.13 -0.80 0.98 -1.01 -0.85 0.00 0.00 174.74 173.20 1xpq s HIS 67 N 1.63 3.00 -1.46 1.40 0.09 -1.26 -1.40 115.29 117.29 1xpq s HIS 67 Ca 0.04 0.49 -0.04 0.00 -0.00 0.00 0.00 55.06 55.55 1xpq s HIS 67 Cb -0.24 -3.07 0.03 0.00 -0.00 0.00 0.00 32.58 29.30 1xpq s HIS 67 CO 0.06 -1.25 0.50 -0.25 -0.00 0.00 0.00 174.74 173.80 1xpq n ASP 68 N -2.83 -0.97 0.16 1.40 8.00 -1.26 -4.59 116.55 116.46 1xpq n ASP 68 Ca 0.07 -1.00 0.10 0.00 0.71 0.00 0.00 54.79 54.67 1xpq n ASP 68 Cb 0.60 -3.02 0.53 0.00 -0.02 0.00 0.00 41.12 39.20 1xpq n ASP 68 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 1xpq n THR 69 N -4.41 0.91 0.08 -3.53 -2.24 -1.17 0.13 114.28 104.04 1xpq n THR 69 Ca -0.23 0.74 -0.07 0.00 -2.27 0.00 0.00 64.05 62.22 1xpq n THR 69 Cb 0.65 -1.74 -0.04 0.00 -2.10 0.00 0.00 70.33 67.10 1xpq n THR 69 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 1xpq h LEU 70 N 0.00 0.08 0.00 3.22 3.38 -1.53 -3.40 115.31 117.07 1xpq h LEU 70 Ca 0.00 -0.08 -0.09 0.00 0.09 0.00 0.00 57.88 57.81 1xpq h LEU 70 Cb 0.18 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 40.89 1xpq h LEU 70 CO 0.00 0.95 -1.32 0.35 0.09 0.00 0.00 178.44 178.51 1xpq n THR 71 N -3.52 0.32 -1.35 0.22 -2.24 -0.54 -5.02 114.28 102.15 1xpq n THR 71 Ca -0.02 -0.17 -0.42 0.00 -2.27 0.00 0.00 64.05 61.17 1xpq n THR 71 Cb 0.85 -0.81 -0.13 0.00 -2.10 0.00 0.00 70.33 68.14 1xpq n THR 71 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1xpq n ASN 72 N -2.37 0.37 -0.12 3.42 4.05 0.12 -4.84 115.26 115.89 1xpq n ASN 72 Ca -0.09 0.27 -0.05 0.00 0.45 0.00 0.00 54.58 55.17 1xpq n ASN 72 Cb 0.63 -0.86 0.03 0.00 1.23 0.00 0.00 39.78 40.82 1xpq n ASN 72 CO 0.00 0.00 0.00 1.55 -3.05 0.00 0.00 177.26 175.76 1xpq h PRO 73 N 10.60 0.21 -0.22 1.20 0.13 -1.91 -1.62 132.00 140.39 1xpq h PRO 73 Ca -0.06 -0.01 0.05 0.00 -0.87 0.00 0.00 66.00 65.11 1xpq h PRO 73 Cb 1.25 -0.05 -0.05 0.00 0.13 0.00 0.00 31.00 32.29 1xpq h PRO 73 CO 1.24 0.14 -0.09 1.25 -0.23 0.00 0.00 178.00 180.31 1xpq h LEU 74 N 0.21 -0.30 -0.30 1.56 5.85 -1.88 -0.36 115.31 120.08 1xpq h LEU 74 Ca 0.19 0.08 0.06 0.00 0.84 0.00 0.00 57.88 59.05 1xpq h LEU 74 Cb 0.23 0.18 -0.05 0.00 0.37 0.00 0.00 40.66 41.38 1xpq h LEU 74 CO -0.25 -0.12 -0.04 0.15 -0.34 0.00 0.00 178.44 177.85 1xpq h PHE 75 N -0.05 -0.09 -0.94 1.25 3.57 -1.84 -0.93 116.94 117.91 1xpq h PHE 75 Ca 0.12 0.02 0.11 0.00 3.53 0.00 0.00 57.97 61.75 1xpq h PHE 75 Cb 0.23 0.09 -0.07 0.00 2.79 0.00 0.00 35.95 38.98 1xpq h PHE 75 CO -0.26 -0.09 0.60 -0.07 -2.23 0.00 0.00 178.31 176.26 1xpq h LEU 76 N 0.04 0.84 -0.06 0.59 3.38 -0.56 0.15 115.31 119.69 1xpq h LEU 76 Ca 0.15 0.04 -0.00 0.00 0.09 0.00 0.00 57.88 58.15 1xpq h LEU 76 Cb 0.21 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 40.82 1xpq h LEU 76 CO -0.28 0.46 0.03 -0.08 0.09 0.00 0.00 178.44 178.66 1xpq h GLU 77 N 0.91 0.09 -0.35 1.13 4.81 0.19 -1.87 114.58 119.49 1xpq h GLU 77 Ca 0.45 -0.01 0.02 0.00 -0.13 0.00 0.00 59.36 59.69 1xpq h GLU 77 Cb 0.49 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.83 1xpq h GLU 77 CO -0.22 0.18 0.23 0.93 -0.73 0.00 0.00 179.01 179.40 1xpq h GLU 78 N -0.02 0.39 -0.06 1.92 4.39 0.07 -2.74 114.58 118.54 1xpq h GLU 78 Ca 0.02 -0.02 -0.02 0.00 0.34 0.00 0.00 59.36 59.68 1xpq h GLU 78 Cb 0.12 -0.09 -0.00 0.00 -0.10 0.00 0.00 28.75 28.68 1xpq h GLU 78 CO -0.00 0.26 -0.03 0.00 -1.16 0.00 0.00 179.01 178.07 1xpq h ALA 79 N 1.79 0.08 -0.43 3.43 0.00 -0.33 -2.48 119.26 121.33 1xpq h ALA 79 Ca 0.13 -0.24 0.12 0.00 0.00 0.00 0.00 54.91 54.92 1xpq h ALA 79 Cb 0.04 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 1xpq h ALA 79 CO -0.03 -0.17 0.31 1.96 0.00 0.00 0.00 179.25 181.32 1xpq h GLN 80 N -0.28 0.01 -0.16 0.00 1.08 -1.06 0.27 115.11 114.97 1xpq h GLN 80 Ca 0.01 -0.00 -0.04 0.00 -1.45 0.00 0.00 58.65 57.17 1xpq h GLN 80 Cb 0.49 -0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.91 1xpq h GLN 80 CO 0.01 0.01 -0.05 -0.07 -0.95 0.00 0.00 178.83 177.77 1xpq h LEU 81 N 0.01 0.33 -1.33 1.46 3.38 -1.30 -2.87 115.31 114.98 1xpq h LEU 81 Ca 0.20 -0.39 -0.03 0.00 0.09 0.00 0.00 57.88 57.75 1xpq h LEU 81 Cb 0.80 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.44 1xpq h LEU 81 CO -0.00 0.64 0.08 0.28 0.09 0.00 0.00 178.44 179.52 1xpq h SER 82 N 0.01 0.49 0.36 -0.43 0.02 -0.17 -1.30 113.55 112.53 1xpq h SER 82 Ca 0.04 -0.07 -0.04 0.00 -0.84 0.00 0.00 61.79 60.88 1xpq h SER 82 Cb 0.51 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 62.91 1xpq h SER 82 CO 0.02 0.50 -0.19 0.25 -1.14 0.00 0.00 176.83 176.27 1xpq h LEU 83 N 0.52 0.00 0.00 5.07 5.85 -0.57 -1.67 115.31 124.51 1xpq h LEU 83 Ca 0.12 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.84 1xpq h LEU 83 Cb 0.22 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.25 1xpq h LEU 83 CO -0.00 0.19 -0.12 0.59 -0.34 0.00 0.00 178.44 178.76 1xpq n ASN 84 N -3.86 0.36 0.00 1.25 3.02 -0.59 -4.58 115.26 110.86 1xpq n ASN 84 Ca -0.02 0.28 0.13 0.00 -0.03 0.00 0.00 54.58 54.94 1xpq n ASN 84 Cb 0.28 -0.57 0.65 0.00 -0.61 0.00 0.00 39.78 39.54 1xpq n ASN 84 CO 0.00 0.00 0.00 -0.90 -2.62 0.00 0.00 177.26 173.74 1xpq n ASP 85 N -2.74 0.00 0.00 6.41 5.68 -0.60 -4.93 116.55 120.37 1xpq n ASP 85 Ca -0.02 -0.04 0.00 0.00 -0.50 0.00 0.00 54.79 54.23 1xpq n ASP 85 Cb 0.06 -0.30 0.00 0.00 -1.14 0.00 0.00 41.12 39.74 1xpq n ASP 85 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1xpq n GLY 86 N 0.97 2.19 3.56 6.12 0.00 -0.63 -4.99 105.19 112.41 1xpq n GLY 86 Ca 0.12 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.78 1xpq n GLY 86 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xpq n ARG 87 N -1.66 0.38 -3.21 1.61 1.74 -1.26 -4.92 116.66 109.33 1xpq n ARG 87 Ca 0.00 0.18 -0.43 0.00 -0.77 0.00 0.00 57.85 56.83 1xpq n ARG 87 Cb 0.00 -2.10 -0.07 0.00 -1.02 0.00 0.00 32.46 29.27 1xpq n ARG 87 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 1xpq s THR 88 N -1.90 4.95 -0.16 0.55 2.01 -1.26 -4.68 115.64 115.15 1xpq s THR 88 Ca 0.70 -0.37 0.19 0.00 0.31 0.00 0.00 61.69 62.52 1xpq s THR 88 Cb -0.34 -4.20 -0.10 0.00 0.01 0.00 0.00 72.50 67.88 1xpq s THR 88 CO 0.54 -0.64 0.86 0.54 -0.69 0.00 0.00 174.62 175.23 1xpq n ARG 89 N 5.97 0.62 -3.88 4.92 1.74 -1.26 -4.83 116.66 119.93 1xpq n ARG 89 Ca -0.06 0.16 -0.08 0.00 -0.77 0.00 0.00 57.85 57.11 1xpq n ARG 89 Cb 0.46 -1.79 -0.02 0.00 -1.02 0.00 0.00 32.46 30.09 1xpq n ARG 89 CO 0.00 0.00 0.00 -0.59 -1.52 0.00 0.00 177.63 175.52 1xpq s PHE 90 N -3.09 -0.05 -0.03 -1.55 -0.12 -1.26 0.37 117.98 112.25 1xpq s PHE 90 Ca -0.03 -0.40 -0.07 0.00 -0.05 0.00 0.00 56.93 56.38 1xpq s PHE 90 Cb 0.09 0.62 0.01 0.00 -0.63 0.00 0.00 43.02 43.10 1xpq s PHE 90 CO 0.81 -1.22 0.15 0.54 -0.05 0.00 0.00 175.22 175.46 1xpq s VAL 91 N -3.81 0.05 -0.58 -2.49 0.11 -0.47 -4.85 120.40 108.36 1xpq s VAL 91 Ca 0.14 -0.39 -0.23 0.00 -2.93 0.00 0.00 61.98 58.57 1xpq s VAL 91 Cb -0.05 -0.35 0.05 0.00 -1.53 0.00 0.00 36.38 34.50 1xpq s VAL 91 CO 0.08 -0.21 0.93 -0.36 -3.33 0.00 0.00 175.10 172.20 1xpq s PHE 92 N -0.74 2.78 -2.02 1.54 0.40 -1.26 0.50 117.98 119.18 1xpq s PHE 92 Ca -0.08 -0.19 0.23 0.00 -0.60 0.00 0.00 56.93 56.28 1xpq s PHE 92 Cb -0.05 -4.09 0.64 0.00 0.51 0.00 0.00 43.02 40.04 1xpq s PHE 92 CO 0.01 -1.41 1.54 -0.40 0.70 0.00 0.00 175.22 175.66 1xpq n ASP 93 N 7.45 3.92 -4.71 1.36 5.75 -1.25 -4.94 116.55 124.13 1xpq n ASP 93 Ca -0.00 -2.00 -0.43 0.00 -0.01 0.00 0.00 54.79 52.35 1xpq n ASP 93 Cb 0.47 -0.48 -0.01 0.00 -1.03 0.00 0.00 41.12 40.06 1xpq n ASP 93 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 1xpq n ASP 94 N 1.65 3.08 -3.20 -1.12 8.00 -1.26 -4.78 116.55 118.93 1xpq n ASP 94 Ca 0.24 1.19 -0.12 0.00 0.71 0.00 0.00 54.79 56.82 1xpq n ASP 94 Cb 0.62 -1.51 -0.02 0.00 -0.02 0.00 0.00 41.12 40.19 1xpq n ASP 94 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1xpq s ASP 95 N -0.08 0.47 -0.55 -2.24 -1.08 -1.26 -5.03 116.67 106.90 1xpq s ASP 95 Ca 0.58 -1.29 -0.25 0.00 -0.52 0.00 0.00 52.55 51.06 1xpq s ASP 95 Cb -0.56 0.73 0.04 0.00 -1.46 0.00 0.00 42.92 41.67 1xpq s ASP 95 CO 0.59 -1.44 1.01 0.20 0.52 0.00 0.00 175.17 176.05 1xpq s ASN 96 N -3.15 6.39 0.44 -0.34 0.01 -1.26 -4.92 114.94 112.11 1xpq s ASN 96 Ca 0.24 -0.18 -0.22 0.00 -0.71 0.00 0.00 52.86 51.98 1xpq s ASN 96 Cb -0.02 -2.47 -0.11 0.00 0.41 0.00 0.00 41.25 39.05 1xpq s ASN 96 CO 0.16 -1.27 0.66 0.49 -1.51 0.00 0.00 177.10 175.62 1xpq n PHE 97 N 7.68 -0.11 -3.83 2.20 3.01 -1.26 -4.77 117.46 120.37 1xpq n PHE 97 Ca 0.04 0.57 -0.34 0.00 1.01 0.00 0.00 57.45 58.73 1xpq n PHE 97 Cb 0.48 -2.04 -0.12 0.00 -0.01 0.00 0.00 39.48 37.79 1xpq n PHE 97 CO 0.00 0.00 0.00 0.42 1.01 0.00 0.00 176.76 178.19 1xpq s ILE 98 N -1.45 3.12 -0.04 4.37 1.01 -0.22 -4.83 121.20 123.16 1xpq s ILE 98 Ca 0.64 -2.69 -0.27 0.00 0.00 0.00 0.00 60.65 58.33 1xpq s ILE 98 Cb -0.57 -3.12 -0.03 0.00 0.01 0.00 0.00 42.46 38.74 1xpq s ILE 98 CO 0.57 -0.76 0.83 -0.31 0.00 0.00 0.00 174.94 175.27 1xpq s TYR 99 N 0.37 3.61 -0.12 3.97 1.51 -1.26 -2.41 117.35 123.02 1xpq s TYR 99 Ca 0.14 1.46 0.02 0.00 -1.01 0.00 0.00 57.07 57.68 1xpq s TYR 99 Cb -0.22 -2.96 0.01 0.00 -0.11 0.00 0.00 41.96 38.69 1xpq s TYR 99 CO -0.04 0.04 -0.18 0.42 -1.11 0.00 0.00 175.55 174.68 1xpq s ILE 100 N 0.92 1.71 -0.15 2.71 1.01 -0.70 -1.47 121.20 125.21 1xpq s ILE 100 Ca 0.44 -0.77 -0.06 0.00 0.00 0.00 0.00 60.65 60.27 1xpq s ILE 100 Cb -0.19 -1.54 -0.04 0.00 0.01 0.00 0.00 42.46 40.70 1xpq s ILE 100 CO 0.23 0.48 0.05 -0.62 0.00 0.00 0.00 174.94 175.08 1xpq s ASP 101 N 0.91 5.56 0.23 3.58 -1.08 0.11 -1.61 116.67 124.37 1xpq s ASP 101 Ca -0.07 0.12 -0.12 0.00 -0.52 0.00 0.00 52.55 51.95 1xpq s ASP 101 Cb -0.15 -1.86 0.29 0.00 -1.46 0.00 0.00 42.92 39.73 1xpq s ASP 101 CO -0.01 0.24 1.61 -0.08 0.52 0.00 0.00 175.17 177.44 1xpq h GLU 102 N 6.20 -0.01 0.05 4.34 4.81 -1.86 0.40 114.58 128.51 1xpq h GLU 102 Ca -0.41 0.00 -0.09 0.00 -0.13 0.00 0.00 59.36 58.73 1xpq h GLU 102 Cb 1.18 0.00 0.01 0.00 0.63 0.00 0.00 28.75 30.57 1xpq h GLU 102 CO 0.65 -0.00 -0.39 0.93 -0.73 0.00 0.00 179.01 179.47 1xpq h GLU 103 N -0.01 0.17 0.07 1.92 5.08 -1.98 -3.39 114.58 116.45 1xpq h GLU 103 Ca 0.35 -0.26 -0.26 0.00 -1.00 0.00 0.00 59.36 58.19 1xpq h GLU 103 Cb 0.54 0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.86 1xpq h GLU 103 CO -0.75 1.07 -1.25 -0.09 -1.00 0.00 0.00 179.01 176.99 1xpq h ARG 104 N -0.60 0.15 0.00 2.33 2.43 -1.95 -3.50 114.38 113.25 1xpq h ARG 104 Ca -0.06 -0.26 0.00 0.00 -0.81 0.00 0.00 59.98 58.84 1xpq h ARG 104 Cb 1.25 0.10 0.00 0.00 -0.42 0.00 0.00 29.97 30.90 1xpq h ARG 104 CO 0.07 1.07 0.00 0.41 -1.51 0.00 0.00 179.97 180.02 1xpq n GLY 105 N 1.50 1.06 3.55 2.80 0.00 0.14 -4.84 105.19 109.41 1xpq n GLY 105 Ca -0.08 -1.55 -0.39 0.00 0.00 0.00 0.00 46.02 44.00 1xpq n GLY 105 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1xpq s ARG 106 N 0.00 3.16 -0.04 1.61 0.52 -1.26 0.05 118.95 122.99 1xpq s ARG 106 Ca 0.00 -0.39 0.06 0.00 -0.52 0.00 0.00 55.73 54.88 1xpq s ARG 106 Cb 0.00 -4.68 0.24 0.00 0.52 0.00 0.00 34.95 31.04 1xpq s ARG 106 CO 0.00 -2.39 1.04 1.33 0.02 0.00 0.00 175.30 175.30 1xpq n VAL 107 N 6.83 0.62 -3.30 3.52 0.24 -0.54 -4.90 118.33 120.80 1xpq n VAL 107 Ca 0.19 -0.40 -0.31 0.00 -2.04 0.00 0.00 64.34 61.79 1xpq n VAL 107 Cb 0.50 -0.14 -0.05 0.00 -1.47 0.00 0.00 33.84 32.69 1xpq n VAL 107 CO 0.00 0.00 0.00 1.51 -2.14 0.00 0.00 176.83 176.20 1xpq s ASP 108 N -0.62 6.59 -1.62 -1.34 -4.77 -1.23 -4.28 116.67 109.40 1xpq s ASP 108 Ca 0.17 0.94 -0.18 0.00 -3.30 0.00 0.00 52.55 50.18 1xpq s ASP 108 Cb 0.11 -2.24 0.17 0.00 -1.09 0.00 0.00 42.92 39.87 1xpq s ASP 108 CO 0.08 -0.16 0.65 1.57 0.70 0.00 0.00 175.17 178.02 1xpq n HIS 109 N -0.48 -1.59 -2.73 2.11 -0.00 -1.26 -4.87 115.22 106.39 1xpq n HIS 109 Ca 0.01 0.68 -0.41 0.00 -0.00 0.00 0.00 57.72 58.00 1xpq n HIS 109 Cb 0.53 -2.50 -0.05 0.00 -0.00 0.00 0.00 29.99 27.97 1xpq n HIS 109 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.34 176.68 1xpq s ASP 110 N -3.13 7.56 0.44 0.26 -1.08 -1.26 -4.97 116.67 114.49 1xpq s ASP 110 Ca 0.69 1.87 0.21 0.00 -0.52 0.00 0.00 52.55 54.81 1xpq s ASP 110 Cb -0.39 -2.60 0.99 0.00 -1.46 0.00 0.00 42.92 39.47 1xpq s ASP 110 CO 0.85 0.03 1.88 0.07 0.52 0.00 0.00 175.17 178.53 1xpq h LYS 111 N 4.91 0.00 0.00 4.34 2.10 -1.97 -1.52 116.57 124.43 1xpq h LYS 111 Ca -0.44 0.00 -0.29 0.00 -2.00 0.00 0.00 60.65 57.92 1xpq h LYS 111 Cb 1.21 0.00 -0.05 0.00 -0.90 0.00 0.00 32.23 32.48 1xpq h LYS 111 CO 0.70 0.26 -2.11 0.39 -2.00 0.00 0.00 179.45 176.69 1xpq n GLU 112 N -3.66 0.92 0.11 0.07 1.02 -1.26 -4.64 120.64 113.19 1xpq n GLU 112 Ca -0.01 0.06 -0.20 0.00 -0.02 0.00 0.00 57.16 56.99 1xpq n GLU 112 Cb 0.38 -1.40 -0.13 0.00 -0.02 0.00 0.00 31.44 30.27 1xpq n GLU 112 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 1xpq h LEU 113 N 0.00 0.74 -3.89 -4.62 3.38 -1.94 -3.48 115.31 105.49 1xpq h LEU 113 Ca -0.44 -0.71 -0.52 0.00 0.09 0.00 0.00 57.88 56.30 1xpq h LEU 113 Cb 1.81 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 42.31 1xpq h LEU 113 CO -0.03 1.54 -0.89 0.18 0.09 0.00 0.00 178.44 179.33 1xpq n LEU 114 N -3.71 -0.14 -0.03 1.67 4.77 -0.57 -4.83 117.00 114.15 1xpq n LEU 114 Ca -0.12 -1.13 -0.15 0.00 -0.03 0.00 0.00 56.01 54.58 1xpq n LEU 114 Cb 1.00 -1.37 -0.10 0.00 -2.33 0.00 0.00 43.42 40.63 1xpq n LEU 114 CO 0.57 0.71 0.46 -0.07 -1.33 0.00 0.00 177.39 177.74 1xpq h LEU 115 N -1.85 0.29 -1.06 2.23 3.38 -1.85 -3.11 115.31 113.35 1xpq h LEU 115 Ca -0.62 -0.66 0.12 0.00 0.09 0.00 0.00 57.88 56.82 1xpq h LEU 115 Cb 1.22 -0.09 -0.08 0.00 0.09 0.00 0.00 40.66 41.80 1xpq h LEU 115 CO 0.45 0.90 0.62 -0.33 0.09 0.00 0.00 178.44 180.17 1xpq h GLU 116 N -0.30 0.92 0.75 1.13 3.07 -1.93 0.47 114.58 118.69 1xpq h GLU 116 Ca -0.02 -0.06 -0.04 0.00 -0.50 0.00 0.00 59.36 58.75 1xpq h GLU 116 Cb 0.89 -0.21 0.01 0.00 -0.84 0.00 0.00 28.75 28.60 1xpq h GLU 116 CO 0.05 0.61 -0.37 0.82 -1.40 0.00 0.00 179.01 178.72 1xpq h ILE 117 N 0.94 0.25 -0.08 3.13 2.04 -1.93 -0.32 117.51 121.54 1xpq h ILE 117 Ca 0.49 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 66.30 1xpq h ILE 117 Cb 0.53 0.25 -0.01 0.00 -0.74 0.00 0.00 36.82 36.84 1xpq h ILE 117 CO -0.25 0.00 -0.17 -0.37 0.00 0.00 0.00 178.15 177.35 1xpq h VAL 118 N -1.02 1.17 -0.30 1.67 -1.51 -1.38 -1.88 116.25 113.01 1xpq h VAL 118 Ca -0.10 -0.77 0.07 0.00 -1.23 0.00 0.00 66.70 64.67 1xpq h VAL 118 Cb 0.79 1.31 -0.07 0.00 -2.13 0.00 0.00 31.29 31.18 1xpq h VAL 118 CO 0.16 0.23 -0.16 -0.78 -1.23 0.00 0.00 177.57 175.79 1xpq h ASP 119 N 0.11 -0.54 -0.71 4.19 3.58 0.45 0.08 116.42 123.58 1xpq h ASP 119 Ca 0.02 0.12 0.03 0.00 0.42 0.00 0.00 57.03 57.63 1xpq h ASP 119 Cb 0.38 0.29 -0.05 0.00 1.72 0.00 0.00 39.33 41.68 1xpq h ASP 119 CO 0.03 -0.20 0.44 -1.13 -2.88 0.00 0.00 179.24 175.50 1xpq h ASN 120 N -0.13 0.72 -0.63 2.28 -1.24 -0.25 -1.32 115.58 115.02 1xpq h ASN 120 Ca 0.16 0.00 0.01 0.00 0.71 0.00 0.00 56.30 57.18 1xpq h ASN 120 Cb 0.36 -0.15 -0.03 0.00 0.73 0.00 0.00 38.32 39.23 1xpq h ASN 120 CO -0.37 0.50 0.42 -0.08 -1.29 0.00 0.00 177.43 176.60 1xpq h GLU 121 N 0.86 0.81 0.00 6.67 4.81 -0.99 0.31 114.58 127.05 1xpq h GLU 121 Ca 0.29 -0.05 -0.02 0.00 -0.13 0.00 0.00 59.36 59.45 1xpq h GLU 121 Cb 0.03 -0.18 -0.00 0.00 0.63 0.00 0.00 28.75 29.23 1xpq h GLU 121 CO -0.11 0.54 -0.10 1.98 -0.73 0.00 0.00 179.01 180.58 1xpq h MET 122 N 0.83 0.00 0.00 1.92 4.05 0.13 0.24 114.93 122.11 1xpq h MET 122 Ca 0.23 0.00 -0.02 0.00 -0.28 0.00 0.00 59.70 59.63 1xpq h MET 122 Cb -0.07 0.00 -0.00 0.00 -0.80 0.00 0.00 31.60 30.72 1xpq h MET 122 CO -0.05 0.10 -0.12 1.03 0.23 0.00 0.00 176.91 178.09 1xpq h SER 123 N 0.00 0.00 -0.68 1.39 0.87 -0.50 -2.96 113.55 111.67 1xpq h SER 123 Ca -0.00 -0.85 0.04 0.00 -1.23 0.00 0.00 61.79 59.75 1xpq h SER 123 Cb 0.30 0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 62.21 1xpq h SER 123 CO 0.01 1.00 0.41 0.11 -0.53 0.00 0.00 176.83 177.83 1xpq h LYS 124 N -1.00 0.76 -0.86 2.24 1.79 -1.14 1.40 116.57 119.76 1xpq h LYS 124 Ca -0.03 -0.05 0.17 0.00 -2.18 0.00 0.00 60.65 58.56 1xpq h LYS 124 Cb 0.93 -0.17 -0.10 0.00 -1.58 0.00 0.00 32.23 31.30 1xpq h LYS 124 CO -0.02 0.50 0.42 0.35 -1.08 0.00 0.00 179.45 179.62 1xpq h PHE 125 N 0.79 0.71 0.02 -1.35 3.57 -0.62 0.38 116.94 120.45 1xpq h PHE 125 Ca 0.28 0.04 -0.26 0.00 3.53 0.00 0.00 57.97 61.56 1xpq h PHE 125 Cb 0.08 -0.18 0.02 0.00 2.79 0.00 0.00 35.95 38.65 1xpq h PHE 125 CO -0.05 0.10 -1.05 0.00 -2.23 0.00 0.00 178.31 175.07 1xpq h ALA 126 N 1.61 0.18 -0.07 2.41 0.00 -0.36 0.21 119.26 123.24 1xpq h ALA 126 Ca 0.50 -0.72 0.00 0.00 0.00 0.00 0.00 54.91 54.69 1xpq h ALA 126 Cb 0.80 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.63 1xpq h ALA 126 CO -0.42 0.74 0.05 1.49 0.00 0.00 0.00 179.25 181.10 1xpq h GLU 127 N 0.32 0.09 0.00 0.00 4.81 0.35 -2.73 114.58 117.42 1xpq h GLU 127 Ca -0.12 -0.01 -0.09 0.00 -0.13 0.00 0.00 59.36 59.01 1xpq h GLU 127 Cb 1.71 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 31.05 1xpq h GLU 127 CO 0.20 0.06 -0.72 -0.07 -0.73 0.00 0.00 179.01 177.74 1xpq h LEU 128 N 0.09 0.00 -1.69 1.64 3.38 -0.25 -3.09 115.31 115.38 1xpq h LEU 128 Ca 0.03 -0.28 0.48 0.00 0.09 0.00 0.00 57.88 58.19 1xpq h LEU 128 Cb -0.01 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 40.67 1xpq h LEU 128 CO -0.01 1.04 1.34 -0.08 0.09 0.00 0.00 178.44 180.83 1xpq h GLU 129 N -1.00 0.00 0.00 1.13 4.57 -0.53 -3.26 114.58 115.49 1xpq h GLU 129 Ca -0.14 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.04 1xpq h GLU 129 Cb 0.82 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.41 1xpq h GLU 129 CO -0.09 0.00 0.00 1.19 -1.18 0.00 0.00 179.01 178.93 1xpq n PHE 130 N -3.72 0.00 -0.23 0.92 0.99 -1.04 -4.88 117.46 109.51 1xpq n PHE 130 Ca 0.37 0.00 -0.09 0.00 -0.00 0.00 0.00 57.45 57.73 1xpq n PHE 130 Cb 1.84 0.00 -0.01 0.00 -1.00 0.00 0.00 39.48 40.31 1xpq n PHE 130 CO 0.00 0.00 0.00 -2.39 -0.00 0.00 0.00 176.76 174.37 1xpq n HIS 131 N -0.92 0.04 -3.47 1.38 1.44 -1.17 -3.27 115.22 109.24 1xpq n HIS 131 Ca 0.00 0.16 -0.36 0.00 -2.01 0.00 0.00 57.72 55.51 1xpq n HIS 131 Cb 0.00 -0.32 0.04 0.00 0.12 0.00 0.00 29.99 29.83 1xpq n HIS 131 CO 0.00 0.00 0.00 1.04 -2.81 0.00 0.00 176.34 174.57 1xpq n GLN 132 N 0.21 -1.85 0.00 -1.40 6.02 -1.26 -4.75 117.38 114.35 1xpq n GLN 132 Ca 0.03 1.41 0.00 0.00 -0.01 0.00 0.00 57.00 58.43 1xpq n GLN 132 Cb 0.02 -2.07 0.00 0.00 1.02 0.00 0.00 30.24 29.21 1xpq n GLN 132 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.06 176.77 1xpq n HIS 133 N -0.09 0.00 0.00 1.08 8.25 -1.20 -5.09 115.22 118.16 1xpq n HIS 133 Ca -0.08 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.38 1xpq n HIS 133 Cb 0.67 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.78 1xpq n HIS 133 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1xpq n LEU 134 N 0.00 0.00 -3.68 2.41 7.99 -1.25 -4.78 117.00 117.68 1xpq n LEU 134 Ca 0.00 0.00 -0.26 0.00 -0.01 0.00 0.00 56.01 55.74 1xpq n LEU 134 Cb 0.00 0.00 0.06 0.00 -0.11 0.00 0.00 43.42 43.37 1xpq n LEU 134 CO 0.00 0.00 0.20 0.61 -1.51 0.00 0.00 177.39 176.69 1xpq n GLY 135 N 0.00 -0.53 4.13 -0.72 0.00 -1.26 -1.28 105.19 105.52 1xpq n GLY 135 Ca 0.00 0.23 -0.34 0.00 0.00 0.00 0.00 46.02 45.91 1xpq n GLY 135 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1xpq n VAL 136 N -4.89 -1.36 0.00 1.61 0.31 -1.26 -4.94 118.33 107.80 1xpq n VAL 136 Ca 0.02 -0.01 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1xpq n VAL 136 Cb 0.55 -2.04 0.00 0.00 -0.91 0.00 0.00 33.84 31.44 1xpq n VAL 136 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 1xpq n SER 137 N -2.71 0.00 -1.87 4.52 3.41 -0.41 -4.98 113.62 111.57 1xpq n SER 137 Ca 0.06 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.67 1xpq n SER 137 Cb 0.50 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.45 1xpq n SER 137 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1xpq n ASP 138 N 0.00 -8.33 -3.73 4.04 2.03 -1.26 -5.11 116.55 104.18 1xpq n ASP 138 Ca 0.00 1.23 -0.14 0.00 0.52 0.00 0.00 54.79 56.40 1xpq n ASP 138 Cb 0.00 -4.63 -0.07 0.00 -0.72 0.00 0.00 41.12 35.69 1xpq n ASP 138 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1xpq s SER 140 N -3.21 6.39 0.34 0.00 1.04 -1.26 0.76 113.70 117.76 1xpq s SER 140 Ca 0.35 3.00 0.15 0.00 0.48 0.00 0.00 55.95 59.93 1xpq s SER 140 Cb 0.03 -2.66 1.12 0.00 0.10 0.00 0.00 66.02 64.61 1xpq s SER 140 CO 0.17 -0.85 1.65 0.15 0.98 0.00 0.00 173.24 175.35 1xpq h PHE 141 N 3.41 0.92 -0.26 5.02 3.57 0.90 0.51 116.94 131.01 1xpq h PHE 141 Ca -0.50 0.04 0.05 0.00 3.53 0.00 0.00 57.97 61.09 1xpq h PHE 141 Cb 1.23 -0.24 -0.05 0.00 2.79 0.00 0.00 35.95 39.69 1xpq h PHE 141 CO 0.55 -0.21 -0.04 0.35 -2.23 0.00 0.00 178.31 176.73 1xpq h PHE 142 N 0.29 -0.09 -0.82 0.41 3.57 0.81 -2.05 116.94 119.05 1xpq h PHE 142 Ca 0.75 0.02 0.07 0.00 3.53 0.00 0.00 57.97 62.34 1xpq h PHE 142 Cb 1.74 0.08 -0.06 0.00 2.79 0.00 0.00 35.95 40.49 1xpq h PHE 142 CO -0.01 -0.09 0.49 0.37 -2.23 0.00 0.00 178.31 176.85 1xpq h GLN 143 N 0.03 0.85 -0.17 1.11 5.75 -0.24 -1.77 115.11 120.67 1xpq h GLN 143 Ca 0.12 -0.05 -0.00 0.00 -0.15 0.00 0.00 58.65 58.57 1xpq h GLN 143 Cb 0.18 -0.19 -0.01 0.00 1.07 0.00 0.00 27.48 28.53 1xpq h GLN 143 CO -0.24 0.56 0.10 1.25 -2.65 0.00 0.00 178.83 177.85 1xpq h LEU 144 N 0.88 0.22 -1.38 -2.39 5.85 -0.97 -1.63 115.31 115.88 1xpq h LEU 144 Ca 0.37 -0.08 0.05 0.00 0.84 0.00 0.00 57.88 59.06 1xpq h LEU 144 Cb 0.22 -0.05 -0.04 0.00 0.37 0.00 0.00 40.66 41.15 1xpq h LEU 144 CO -0.19 0.23 0.46 0.58 -0.34 0.00 0.00 178.44 179.19 1xpq h VAL 145 N 0.18 1.05 -0.33 1.05 2.07 -0.85 -1.30 116.25 118.12 1xpq h VAL 145 Ca 0.06 -0.26 -0.14 0.00 0.82 0.00 0.00 66.70 67.18 1xpq h VAL 145 Cb 0.07 0.21 -0.01 0.00 -1.52 0.00 0.00 31.29 30.04 1xpq h VAL 145 CO -0.01 0.14 -0.36 0.24 0.02 0.00 0.00 177.57 177.60 1xpq h MET 146 N 0.77 0.75 0.57 1.57 2.86 -0.92 -2.12 114.93 118.41 1xpq h MET 146 Ca 0.29 -0.37 -0.02 0.00 -2.06 0.00 0.00 59.70 57.54 1xpq h MET 146 Cb 0.19 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.84 1xpq h MET 146 CO -0.09 0.99 -0.42 0.87 1.06 0.00 0.00 176.91 179.32 1xpq h LYS 147 N 0.62 -0.91 -0.64 1.72 1.57 -0.31 -1.53 116.57 117.10 1xpq h LYS 147 Ca 0.06 0.06 0.08 0.00 -1.87 0.00 0.00 60.65 58.98 1xpq h LYS 147 Cb 0.90 0.21 -0.11 0.00 0.08 0.00 0.00 32.23 33.31 1xpq h LYS 147 CO 0.08 -0.61 -0.49 -0.92 -0.57 0.00 0.00 179.45 176.94 1xpq h TYR 148 N -0.94 -1.49 -0.58 -1.35 3.20 -1.35 -0.11 116.97 114.34 1xpq h TYR 148 Ca -0.08 0.09 0.11 0.00 3.14 0.00 0.00 58.73 62.00 1xpq h TYR 148 Cb 0.78 0.74 -0.11 0.00 1.54 0.00 0.00 36.73 39.67 1xpq h TYR 148 CO -0.13 -0.43 -0.25 -0.07 -1.64 0.00 0.00 178.16 175.64 1xpq h LEU 149 N -0.22 -0.87 0.49 2.82 3.38 -1.16 0.37 115.31 120.12 1xpq h LEU 149 Ca 0.16 0.20 -0.01 0.00 0.09 0.00 0.00 57.88 58.32 1xpq h LEU 149 Cb 0.55 0.48 -0.02 0.00 0.09 0.00 0.00 40.66 41.75 1xpq h LEU 149 CO -0.73 -0.26 -0.48 -0.07 0.09 0.00 0.00 178.44 176.99 1xpq h LEU 150 N -0.10 -1.30 -0.68 1.67 3.38 -0.01 0.69 115.31 118.95 1xpq h LEU 150 Ca 0.26 0.10 0.12 0.00 0.09 0.00 0.00 57.88 58.45 1xpq h LEU 150 Cb 0.51 0.43 -0.08 0.00 0.09 0.00 0.00 40.66 41.60 1xpq h LEU 150 CO -0.65 -0.63 0.26 -0.61 0.09 0.00 0.00 178.44 176.90 1xpq h GLN 151 N -0.96 0.41 -0.64 1.13 4.15 -0.39 -2.81 115.11 116.01 1xpq h GLN 151 Ca -0.06 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.33 1xpq h GLN 151 Cb 0.83 -0.09 0.00 0.00 0.21 0.00 0.00 27.48 28.42 1xpq h GLN 151 CO -0.05 0.27 0.00 0.54 -1.93 0.00 0.00 178.83 177.66 1xpq n ARG 152 N -5.00 4.08 -0.18 1.69 5.12 0.12 -4.52 116.66 117.97 1xpq n ARG 152 Ca 0.11 -2.93 -0.03 0.00 -1.93 0.00 0.00 57.85 53.08 1xpq n ARG 152 Cb 0.34 -2.01 0.17 0.00 -1.16 0.00 0.00 32.46 29.80 1xpq n ARG 152 CO 0.00 0.00 0.00 0.07 -1.93 0.00 0.00 177.63 175.77 1xpq h ARG 153 N 4.04 0.94 -0.71 5.56 0.11 -0.58 -1.62 114.38 122.12 1xpq h ARG 153 Ca 0.00 -0.17 0.16 0.00 0.10 0.00 0.00 59.98 60.07 1xpq h ARG 153 Cb 1.61 -0.15 -0.04 0.00 1.11 0.00 0.00 29.97 32.50 1xpq h ARG 153 CO 0.31 0.79 0.48 0.37 0.10 0.00 0.00 179.97 182.02 1xpq h GLN 154 N 0.91 0.28 -0.46 0.08 4.15 -1.82 -1.05 115.11 117.21 1xpq h GLN 154 Ca 0.21 -0.02 -0.12 0.00 0.77 0.00 0.00 58.65 59.49 1xpq h GLN 154 Cb 0.23 -0.06 -0.07 0.00 0.21 0.00 0.00 27.48 27.78 1xpq h GLN 154 CO -0.01 0.19 0.08 1.19 -1.93 0.00 0.00 178.83 178.35 1xpq n PHE 155 N -4.44 1.55 -4.39 3.99 3.01 -0.64 -4.93 117.46 111.60 1xpq n PHE 155 Ca 0.14 -1.16 -0.22 0.00 1.01 0.00 0.00 57.45 57.21 1xpq n PHE 155 Cb 0.57 -0.50 -0.16 0.00 -0.01 0.00 0.00 39.48 39.38 1xpq n PHE 155 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 1xpq s LEU 156 N -2.99 1.53 0.66 4.37 1.43 -0.40 -5.10 118.68 118.18 1xpq s LEU 156 Ca 0.48 -0.22 -0.13 0.00 -1.03 0.00 0.00 54.13 53.23 1xpq s LEU 156 Cb 0.39 -0.64 -0.01 0.00 0.03 0.00 0.00 46.19 45.97 1xpq s LEU 156 CO 0.09 0.00 1.07 0.42 0.23 0.00 0.00 176.35 178.16 1xpq s THR 157 N 0.72 3.74 0.23 5.49 -4.23 -1.26 -4.79 115.64 115.54 1xpq s THR 157 Ca -0.12 0.70 -0.08 0.00 -1.18 0.00 0.00 61.69 61.01 1xpq s THR 157 Cb -0.15 -3.29 0.24 0.00 1.34 0.00 0.00 72.50 70.65 1xpq s THR 157 CO 0.02 -0.61 1.65 0.78 -0.54 0.00 0.00 174.62 175.93 1xpq h ASN 158 N -0.19 -0.26 -0.78 3.99 2.35 -1.99 0.11 115.58 118.81 1xpq h ASN 158 Ca -0.45 0.17 0.00 0.00 -0.55 0.00 0.00 56.30 55.47 1xpq h ASN 158 Cb 1.22 0.30 -0.04 0.00 0.05 0.00 0.00 38.32 39.85 1xpq h ASN 158 CO 0.56 -0.14 0.50 0.44 -1.65 0.00 0.00 177.43 177.14 1xpq h ASP 159 N 0.13 0.91 -0.30 5.81 3.32 -1.98 0.13 116.42 124.44 1xpq h ASP 159 Ca 0.38 -0.03 -0.11 0.00 0.02 0.00 0.00 57.03 57.29 1xpq h ASP 159 Cb 0.66 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.96 1xpq h ASP 159 CO -0.59 0.67 -0.20 1.56 -1.72 0.00 0.00 179.24 178.96 1xpq h GLN 160 N 1.06 0.76 -0.11 3.56 4.20 -1.18 0.23 115.11 123.63 1xpq h GLN 160 Ca 0.28 -0.29 -0.14 0.00 0.06 0.00 0.00 58.65 58.57 1xpq h GLN 160 Cb -0.09 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 27.63 1xpq h GLN 160 CO -0.06 0.90 -0.52 0.82 -0.67 0.00 0.00 178.83 179.30 1xpq h ILE 161 N 0.67 1.35 0.01 2.54 2.04 -0.26 -0.11 117.51 123.75 1xpq h ILE 161 Ca 0.10 -1.78 -0.04 0.00 1.00 0.00 0.00 64.86 64.14 1xpq h ILE 161 Cb 0.69 1.84 0.00 0.00 -0.74 0.00 0.00 36.82 38.61 1xpq h ILE 161 CO 0.05 0.54 -0.15 -0.09 0.00 0.00 0.00 178.15 178.50 1xpq h ARG 162 N 0.25 0.08 0.00 2.37 2.43 -0.44 -3.40 114.38 115.66 1xpq h ARG 162 Ca 0.01 -0.10 -0.16 0.00 -0.81 0.00 0.00 59.98 58.92 1xpq h ARG 162 Cb 1.00 0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 30.56 1xpq h ARG 162 CO 0.08 0.94 -1.44 0.66 -1.51 0.00 0.00 179.97 178.70 1xpq n TYR 163 N -4.56 0.91 0.13 2.20 0.53 0.78 -4.47 117.16 112.67 1xpq n TYR 163 Ca -0.10 0.30 -0.14 0.00 -1.02 0.00 0.00 57.90 56.94 1xpq n TYR 163 Cb 0.49 -1.05 -0.07 0.00 -1.03 0.00 0.00 39.34 37.68 1xpq n TYR 163 CO 0.00 0.00 0.00 1.25 -1.02 0.00 0.00 176.86 177.09 1xpq h LEU 164 N 0.00 -0.25 -2.04 7.72 5.85 -1.16 -2.67 115.31 122.76 1xpq h LEU 164 Ca -0.16 0.01 0.11 0.00 0.84 0.00 0.00 57.88 58.69 1xpq h LEU 164 Cb 1.54 0.07 -0.02 0.00 0.37 0.00 0.00 40.66 42.63 1xpq h LEU 164 CO 0.04 -0.17 0.37 1.55 -0.34 0.00 0.00 178.44 179.89 1xpq h PRO 165 N -0.27 0.00 0.15 5.25 0.13 -1.77 -2.20 132.00 133.29 1xpq h PRO 165 Ca -0.02 0.00 -0.26 0.00 -0.87 0.00 0.00 66.00 64.85 1xpq h PRO 165 Cb 0.22 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.36 1xpq h PRO 165 CO 0.03 0.00 -1.27 1.96 -0.23 0.00 0.00 178.00 178.49 1xpq h GLN 166 N 0.00 0.32 0.00 0.86 1.08 -1.75 -3.34 115.11 112.28 1xpq h GLN 166 Ca 0.19 -0.55 -0.03 0.00 -1.45 0.00 0.00 58.65 56.80 1xpq h GLN 166 Cb 0.93 0.20 -0.00 0.00 -0.05 0.00 0.00 27.48 28.56 1xpq h GLN 166 CO -0.00 1.26 -0.16 1.25 -0.95 0.00 0.00 178.83 180.23 1xpq h LEU 167 N -0.22 0.00 -0.39 1.46 6.46 -1.10 -1.71 115.31 119.81 1xpq h LEU 167 Ca -0.25 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.51 1xpq h LEU 167 Cb 1.82 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 41.75 1xpq h LEU 167 CO 0.13 0.16 0.00 0.00 -0.62 0.00 0.00 178.44 178.11 1xpq n ARG 169 N -0.41 1.36 0.07 0.00 1.74 -0.64 -3.18 116.66 115.60 1xpq n ARG 169 Ca 0.15 -0.52 0.07 0.00 -0.77 0.00 0.00 57.85 56.78 1xpq n ARG 169 Cb 0.16 -1.46 0.33 0.00 -1.02 0.00 0.00 32.46 30.47 1xpq n ARG 169 CO 0.00 0.00 0.00 2.48 -1.52 0.00 0.00 177.63 178.59 1xpq n TYR 170 N -0.35 0.38 0.24 -1.55 0.18 -1.21 -0.45 117.16 114.40 1xpq n TYR 170 Ca 0.20 0.18 0.13 0.00 1.88 0.00 0.00 57.90 60.29 1xpq n TYR 170 Cb 0.23 -0.79 0.48 0.00 -0.38 0.00 0.00 39.34 38.89 1xpq n TYR 170 CO 0.00 0.00 0.00 -0.07 -2.08 0.00 0.00 176.86 174.71 1xpq h LEU 171 N 0.00 0.00 -1.28 -3.48 3.38 -1.85 -2.64 115.31 109.44 1xpq h LEU 171 Ca 0.00 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.91 1xpq h LEU 171 Cb 0.12 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 1xpq h LEU 171 CO 0.00 0.11 -0.14 -0.33 0.09 0.00 0.00 178.44 178.17 1xpq h GLU 172 N 0.00 0.32 0.00 1.13 5.08 -0.97 -1.43 114.58 118.71 1xpq h GLU 172 Ca -0.00 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 58.28 1xpq h GLU 172 Cb 0.73 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.94 1xpq h GLU 172 CO 0.01 0.46 0.00 1.28 -1.00 0.00 0.00 179.01 179.77 1xpq n LEU 173 N -4.24 0.00 0.04 1.33 7.99 -0.99 0.13 117.00 121.26 1xpq n LEU 173 Ca -0.00 0.29 -0.08 0.00 -0.01 0.00 0.00 56.01 56.21 1xpq n LEU 173 Cb 0.29 -0.29 -0.13 0.00 -0.11 0.00 0.00 43.42 43.19 1xpq n LEU 173 CO 0.39 -0.07 -0.03 -0.50 -1.51 0.00 0.00 177.39 175.67 1xpq h TRP 174 N 0.00 0.02 0.00 -1.77 4.06 -1.36 -3.36 115.95 113.54 1xpq h TRP 174 Ca 0.00 -0.01 0.00 0.00 2.06 0.00 0.00 58.89 60.94 1xpq h TRP 174 Cb 0.22 -0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.38 1xpq h TRP 174 CO 0.00 1.01 -0.93 0.72 -3.56 0.00 0.00 178.44 175.69 1xpq n HIS 175 N -3.28 0.00 -2.53 0.49 8.25 -1.04 -5.00 115.22 112.10 1xpq n HIS 175 Ca -0.05 0.00 -0.07 0.00 -0.26 0.00 0.00 57.72 57.34 1xpq n HIS 175 Cb 0.97 -0.09 0.01 0.00 1.12 0.00 0.00 29.99 32.00 1xpq n HIS 175 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1xpq n GLY 176 N 1.76 0.29 3.03 -1.41 0.00 0.34 -4.16 105.19 105.04 1xpq n GLY 176 Ca -0.00 -0.47 -0.16 0.00 0.00 0.00 0.00 46.02 45.38 1xpq n GLY 176 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1xpq s LEU 177 N -2.58 2.10 0.38 0.99 2.01 -0.86 -2.72 118.68 118.01 1xpq s LEU 177 Ca 0.11 -0.29 -0.26 0.00 0.01 0.00 0.00 54.13 53.70 1xpq s LEU 177 Cb -0.05 -0.34 -0.09 0.00 0.01 0.00 0.00 46.19 45.72 1xpq s LEU 177 CO 0.13 0.00 1.21 -0.62 1.01 0.00 0.00 176.35 178.09 1xpq s ASP 178 N -0.68 6.57 0.13 2.29 -1.08 -0.87 -4.42 116.67 118.62 1xpq s ASP 178 Ca -0.01 2.46 0.06 0.00 -0.52 0.00 0.00 52.55 54.54 1xpq s ASP 178 Cb -0.05 -2.63 0.31 0.00 -1.46 0.00 0.00 42.92 39.09 1xpq s ASP 178 CO 0.00 -0.65 1.03 -2.67 0.52 0.00 0.00 175.17 173.40 1xpq n TRP 179 N 0.28 0.19 1.07 -5.34 4.27 -1.26 0.49 117.44 117.15 1xpq n TRP 179 Ca 0.03 0.10 0.11 0.00 -3.89 0.00 0.00 57.50 53.86 1xpq n TRP 179 Cb 0.45 -0.48 0.12 0.00 -1.36 0.00 0.00 31.31 30.04 1xpq n TRP 179 CO 0.00 0.00 0.00 1.63 -2.29 0.00 0.00 177.69 177.03 1xpq n LYS 180 N -1.63 0.64 -0.00 -2.67 5.02 -1.26 0.13 118.16 118.40 1xpq n LYS 180 Ca -0.00 -0.48 0.04 0.00 -2.02 0.00 0.00 58.31 55.85 1xpq n LYS 180 Cb 0.23 -1.49 -0.05 0.00 -0.02 0.00 0.00 35.03 33.70 1xpq n LYS 180 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1xpq n LEU 181 N -0.76 0.18 -4.77 -0.35 4.77 0.18 -4.82 117.00 111.43 1xpq n LEU 181 Ca 0.08 -0.26 -0.39 0.00 -0.03 0.00 0.00 56.01 55.41 1xpq n LEU 181 Cb 0.38 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.41 1xpq n LEU 181 CO 0.32 0.05 0.52 -0.22 -1.33 0.00 0.00 177.39 176.72 1xpq s LEU 182 N -2.93 4.57 -0.39 2.23 2.96 -0.78 -4.31 118.68 120.03 1xpq s LEU 182 Ca 0.00 1.70 -0.29 0.00 -0.22 0.00 0.00 54.13 55.32 1xpq s LEU 182 Cb 0.05 -3.42 0.00 0.00 0.50 0.00 0.00 46.19 43.33 1xpq s LEU 182 CO 0.32 0.17 1.51 -0.55 -1.32 0.00 0.00 176.35 176.47 1xpq s SER 183 N -1.22 6.23 0.28 3.68 0.15 -1.05 0.44 113.70 122.21 1xpq s SER 183 Ca 0.38 0.95 -0.03 0.00 0.70 0.00 0.00 55.95 57.95 1xpq s SER 183 Cb -0.23 -2.54 0.59 0.00 -1.71 0.00 0.00 66.02 62.13 1xpq s SER 183 CO 0.27 -1.50 1.60 0.00 1.20 0.00 0.00 173.24 174.81 1xpq h ALA 184 N 11.22 0.96 -0.35 5.45 0.00 0.11 0.17 119.26 136.81 1xpq h ALA 184 Ca -0.29 0.30 0.07 0.00 0.00 0.00 0.00 54.91 54.99 1xpq h ALA 184 Cb 1.12 0.54 -0.09 0.00 0.00 0.00 0.00 17.79 19.36 1xpq h ALA 184 CO 1.07 -0.48 -0.40 0.87 0.00 0.00 0.00 179.25 180.31 1xpq h LYS 185 N 0.05 -0.33 0.00 0.00 1.57 -1.90 -0.50 116.57 115.46 1xpq h LYS 185 Ca 0.51 0.02 -0.04 0.00 -1.87 0.00 0.00 60.65 59.27 1xpq h LYS 185 Cb 0.96 0.07 -0.01 0.00 0.08 0.00 0.00 32.23 33.34 1xpq h LYS 185 CO -0.82 -0.22 -0.20 0.22 -0.57 0.00 0.00 179.45 177.86 1xpq h ASP 186 N -0.34 0.00 -0.84 0.86 -0.00 -1.13 -3.23 116.42 111.73 1xpq h ASP 186 Ca 0.13 0.00 0.18 0.00 -0.00 0.00 0.00 57.03 57.34 1xpq h ASP 186 Cb 0.58 0.00 -0.06 0.00 -0.00 0.00 0.00 39.33 39.85 1xpq h ASP 186 CO -0.53 0.20 0.56 0.74 -0.00 0.00 0.00 179.24 180.21 1xpq h THR 187 N 0.00 0.74 -0.83 2.25 2.02 0.72 -2.97 112.91 114.84 1xpq h THR 187 Ca -0.00 -0.15 -0.58 0.00 0.77 0.00 0.00 66.41 66.45 1xpq h THR 187 Cb 0.38 0.27 -0.40 0.00 -1.74 0.00 0.00 68.15 66.67 1xpq h THR 187 CO 0.03 0.08 -0.41 -1.22 0.37 0.00 0.00 175.52 174.37 1xpq n TYR 188 N -4.50 2.88 -0.87 3.16 4.02 -1.22 -5.03 117.16 115.59 1xpq n TYR 188 Ca 0.17 -2.43 -0.31 0.00 -0.01 0.00 0.00 57.90 55.32 1xpq n TYR 188 Cb 0.62 -0.60 0.15 0.00 -0.02 0.00 0.00 39.34 39.48 1xpq n TYR 188 CO 0.00 0.00 0.00 -0.59 -1.01 0.00 0.00 176.86 175.26 1xpq s PHE 189 N -3.66 1.91 0.67 -0.72 -0.12 -1.13 -5.01 117.98 109.93 1xpq s PHE 189 Ca 0.54 1.65 -0.01 0.00 -0.05 0.00 0.00 56.93 59.06 1xpq s PHE 189 Cb 0.43 -3.23 0.09 0.00 -0.63 0.00 0.00 43.02 39.68 1xpq s PHE 189 CO 0.02 -2.58 0.93 0.20 -0.05 0.00 0.00 175.22 173.74 1xpq s GLY 190 N -2.91 1.78 -0.04 1.99 0.00 -1.26 -5.11 107.32 101.77 1xpq s GLY 190 Ca 0.65 -1.46 -0.00 0.00 0.00 0.00 0.00 44.72 43.91 1xpq s GLY 190 CO 0.58 -1.01 0.01 0.30 0.00 0.00 0.00 173.10 172.98 1xpq s HIS 191 N -3.05 0.28 -0.60 1.90 3.76 -1.26 -5.05 115.29 111.27 1xpq s HIS 191 Ca 0.62 0.04 -0.04 0.00 -0.15 0.00 0.00 55.06 55.54 1xpq s HIS 191 Cb -0.08 -0.45 -0.04 0.00 1.11 0.00 0.00 32.58 33.13 1xpq s HIS 191 CO 0.43 -0.16 1.75 1.04 -0.85 0.00 0.00 174.74 176.95 1xpq n GLN 192 N 4.46 1.39 0.00 1.40 1.13 -1.26 -4.85 117.38 119.66 1xpq n GLN 192 Ca -0.20 -1.12 0.00 0.00 -1.94 0.00 0.00 57.00 53.74 1xpq n GLN 192 Cb 0.50 -2.28 0.00 0.00 0.11 0.00 0.00 30.24 28.57 1xpq n GLN 192 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1xpq n GLY 193 N 3.80 -3.26 3.60 1.08 0.00 -1.26 -1.43 105.19 107.71 1xpq n GLY 193 Ca 0.30 -2.06 -0.30 0.00 0.00 0.00 0.00 46.02 43.95 1xpq n GLY 193 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xpq n ARG 194 N -0.03 -1.05 -3.99 1.61 1.74 -1.26 -4.47 116.66 109.21 1xpq n ARG 194 Ca 0.00 -0.25 -0.36 0.00 -0.77 0.00 0.00 57.85 56.46 1xpq n ARG 194 Cb 0.00 -2.30 -0.07 0.00 -1.02 0.00 0.00 32.46 29.07 1xpq n ARG 194 CO 0.00 0.00 0.00 -0.80 -1.52 0.00 0.00 177.63 175.31 1xpq s ASN 195 N -2.54 6.11 -0.23 0.55 -0.87 -1.26 -3.03 114.94 113.67 1xpq s ASN 195 Ca 0.67 0.39 -0.03 0.00 -1.57 0.00 0.00 52.86 52.31 1xpq s ASN 195 Cb -0.24 -1.93 0.00 0.00 -0.02 0.00 0.00 41.25 39.06 1xpq s ASN 195 CO 0.60 0.39 -0.05 0.00 -2.57 0.00 0.00 177.10 175.48 1xpq s ALA 196 N -0.95 2.78 -0.23 0.60 0.00 -0.49 -3.77 121.76 119.70 1xpq s ALA 196 Ca 0.14 -1.26 -0.29 0.00 0.00 0.00 0.00 51.96 50.55 1xpq s ALA 196 Cb -0.12 -1.71 -0.01 0.00 0.00 0.00 0.00 23.12 21.28 1xpq s ALA 196 CO 0.03 -0.55 1.38 0.12 0.00 0.00 0.00 175.76 176.75 1xpq s PHE 197 N 1.44 2.56 -0.02 0.00 5.36 0.18 0.25 117.98 127.74 1xpq s PHE 197 Ca 0.04 0.80 -0.30 0.00 -0.96 0.00 0.00 56.93 56.51 1xpq s PHE 197 Cb -0.15 -3.82 -0.06 0.00 -0.34 0.00 0.00 43.02 38.65 1xpq s PHE 197 CO -0.04 -2.10 1.69 0.00 -1.46 0.00 0.00 175.22 173.31 1xpq s ALA 198 N 4.31 3.62 -1.26 11.12 0.00 -0.23 -1.37 121.76 137.96 1xpq s ALA 198 Ca 0.60 1.02 -0.07 0.00 0.00 0.00 0.00 51.96 53.52 1xpq s ALA 198 Cb -0.21 -3.75 0.17 0.00 0.00 0.00 0.00 23.12 19.34 1xpq s ALA 198 CO 0.23 -1.37 2.03 1.28 0.00 0.00 0.00 175.76 177.93 1xpq n LEU 199 N 6.93 7.22 0.00 0.00 4.77 0.16 -4.41 117.00 131.67 1xpq n LEU 199 Ca 0.17 -4.84 0.00 0.00 -0.03 0.00 0.00 56.01 51.31 1xpq n LEU 199 Cb 0.42 -1.39 0.00 0.00 -2.33 0.00 0.00 43.42 40.12 1xpq n LEU 199 CO 0.63 1.72 0.00 0.59 -1.33 0.00 0.00 177.39 179.00 1xpq n ASN 200 N 2.54 0.00 0.25 -1.43 3.02 -1.26 -4.74 115.26 113.64 1xpq n ASN 200 Ca 0.47 0.00 0.16 0.00 -0.03 0.00 0.00 54.58 55.18 1xpq n ASN 200 Cb 0.31 0.00 0.57 0.00 -0.61 0.00 0.00 39.78 40.05 1xpq n ASN 200 CO 0.00 0.00 0.00 0.22 -2.62 0.00 0.00 177.26 174.86 1xpq h TYR 201 N 0.00 0.00 0.00 3.10 -0.00 -1.90 -2.13 116.97 116.04 1xpq h TYR 201 Ca 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 58.73 58.68 1xpq h TYR 201 Cb 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 36.73 36.72 1xpq h TYR 201 CO 0.00 0.00 -0.22 0.38 -0.00 0.00 0.00 178.16 178.32 1xpq h ASP 202 N 0.00 0.00 0.88 -2.11 2.03 -1.93 -0.64 116.42 114.65 1xpq h ASP 202 Ca 0.00 0.00 -0.13 0.00 -0.73 0.00 0.00 57.03 56.17 1xpq h ASP 202 Cb 0.58 0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 39.07 1xpq h ASP 202 CO 0.00 0.22 -0.62 0.28 -1.03 0.00 0.00 179.24 178.09 1xpq h SER 203 N 0.00 0.00 0.14 4.15 0.02 -1.73 0.35 113.55 116.48 1xpq h SER 203 Ca -0.00 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.94 1xpq h SER 203 Cb 0.52 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.06 1xpq h SER 203 CO 0.03 0.62 -0.07 0.58 -1.14 0.00 0.00 176.83 176.85 1xpq h VAL 204 N 0.00 1.01 0.31 2.27 2.07 -1.21 -1.71 116.25 118.99 1xpq h VAL 204 Ca -0.01 -0.89 0.00 0.00 0.82 0.00 0.00 66.70 66.63 1xpq h VAL 204 Cb 1.23 1.54 -0.03 0.00 -1.52 0.00 0.00 31.29 32.51 1xpq h VAL 204 CO 0.08 0.20 -0.45 0.58 0.02 0.00 0.00 177.57 178.00 1xpq h VAL 205 N -0.64 0.11 -0.97 2.57 2.07 -0.97 -2.16 116.25 116.26 1xpq h VAL 205 Ca -0.02 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.63 1xpq h VAL 205 Cb 0.48 0.11 -0.08 0.00 -1.52 0.00 0.00 31.29 30.28 1xpq h VAL 205 CO 0.03 0.00 0.61 -0.61 0.02 0.00 0.00 177.57 177.63 1xpq h GLN 206 N -0.81 0.88 -0.11 1.57 5.75 -0.38 0.19 115.11 122.19 1xpq h GLN 206 Ca -0.02 -0.05 0.01 0.00 -0.15 0.00 0.00 58.65 58.44 1xpq h GLN 206 Cb 0.76 -0.20 -0.01 0.00 1.07 0.00 0.00 27.48 29.10 1xpq h GLN 206 CO -0.15 0.58 0.03 -0.09 -2.65 0.00 0.00 178.83 176.55 1xpq h ARG 207 N 0.91 0.08 -0.07 1.69 2.43 -0.68 -0.29 114.38 118.44 1xpq h ARG 207 Ca 0.48 -0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.61 1xpq h ARG 207 Cb 0.55 -0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 30.08 1xpq h ARG 207 CO -0.25 0.05 -0.10 0.82 -1.51 0.00 0.00 179.97 178.99 1xpq h ILE 208 N 0.08 1.39 -0.70 1.20 2.04 -0.88 -3.11 117.51 117.53 1xpq h ILE 208 Ca 0.05 -1.31 0.17 0.00 1.00 0.00 0.00 64.86 64.77 1xpq h ILE 208 Cb 0.03 2.09 -0.04 0.00 -0.74 0.00 0.00 36.82 38.16 1xpq h ILE 208 CO -0.06 0.36 0.48 0.00 0.00 0.00 0.00 178.15 178.94 1xpq h ALA 209 N 0.53 2.36 -0.33 1.87 0.00 -0.54 0.22 119.26 123.37 1xpq h ALA 209 Ca 0.01 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1xpq h ALA 209 Cb 0.63 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.42 1xpq h ALA 209 CO 0.02 -0.55 0.00 0.00 0.00 0.00 0.00 179.25 178.72 1xpq n GLN 210 N -4.42 1.92 -0.35 0.00 -0.00 -0.13 -3.90 117.38 110.50 1xpq n GLN 210 Ca 0.13 -1.24 0.11 0.00 -0.00 0.00 0.00 57.00 56.00 1xpq n GLN 210 Cb 0.62 -1.34 0.30 0.00 -0.00 0.00 0.00 30.24 29.82 1xpq n GLN 210 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.06 175.93 1xpq n SER 211 N 0.46 3.84 -3.81 2.61 3.41 0.76 -4.93 113.62 115.96 1xpq n SER 211 Ca 0.11 -2.02 -0.12 0.00 -0.26 0.00 0.00 58.87 56.58 1xpq n SER 211 Cb 0.34 -0.46 -0.12 0.00 -0.26 0.00 0.00 64.21 63.71 1xpq n SER 211 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 175.04 175.60 1xpq s PHE 212 N -1.03 -0.20 -0.13 7.33 -0.12 -1.25 -4.80 117.98 117.77 1xpq s PHE 212 Ca 0.45 0.49 -0.30 0.00 -0.05 0.00 0.00 56.93 57.53 1xpq s PHE 212 Cb 0.24 0.07 -0.14 0.00 -0.63 0.00 0.00 43.02 42.56 1xpq s PHE 212 CO 0.30 -0.12 0.88 -0.35 -0.05 0.00 0.00 175.22 175.89 1xpq n PRO 213 N 2.87 0.00 0.18 1.99 -0.04 -1.26 -4.78 135.00 133.96 1xpq n PRO 213 Ca -0.13 0.00 0.13 0.00 -0.04 0.00 0.00 63.50 63.46 1xpq n PRO 213 Cb 0.58 -1.04 0.59 0.00 -0.04 0.00 0.00 33.50 33.59 1xpq n PRO 213 CO 0.00 0.00 0.00 -0.56 -0.04 0.00 0.00 175.50 174.90 1xpq h GLN 214 N 2.60 0.00 0.00 0.54 3.07 -1.95 -1.39 115.11 117.98 1xpq h GLN 214 Ca -0.34 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.40 1xpq h GLN 214 Cb 0.98 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.54 1xpq h GLN 214 CO 0.54 0.00 0.00 0.27 0.09 0.00 0.00 178.83 179.73 1xpq n ASN 215 N -2.46 0.00 0.02 0.06 0.23 -1.26 -2.70 115.26 109.15 1xpq n ASN 215 Ca 0.01 -0.76 -0.20 0.00 -0.53 0.00 0.00 54.58 53.10 1xpq n ASN 215 Cb 0.21 -0.05 -0.14 0.00 -2.08 0.00 0.00 39.78 37.72 1xpq n ASN 215 CO 0.00 0.00 0.00 -0.50 -0.93 0.00 0.00 177.26 175.83 1xpq h TRP 216 N 0.00 0.47 -3.27 -2.53 4.06 -1.48 -3.46 115.95 109.74 1xpq h TRP 216 Ca 0.00 -0.34 -0.57 0.00 2.06 0.00 0.00 58.89 60.04 1xpq h TRP 216 Cb 0.04 -0.02 -0.06 0.00 -1.00 0.00 0.00 29.16 28.13 1xpq h TRP 216 CO 0.00 1.63 0.93 -1.17 -3.56 0.00 0.00 178.44 176.27 1xpq s LEU 217 N -6.97 3.86 -0.30 -4.49 2.96 -1.10 -1.28 118.68 111.36 1xpq s LEU 217 Ca -0.18 1.06 0.02 0.00 -0.22 0.00 0.00 54.13 54.81 1xpq s LEU 217 Cb 0.07 -3.54 0.07 0.00 0.50 0.00 0.00 46.19 43.28 1xpq s LEU 217 CO 0.80 -1.05 -0.02 -0.75 -1.32 0.00 0.00 176.35 174.01 1xpq s LYS 218 N 4.06 2.10 0.60 1.98 2.20 0.09 -4.95 119.74 125.81 1xpq s LYS 218 Ca 0.52 -1.49 -0.08 0.00 -0.36 0.00 0.00 55.97 54.57 1xpq s LYS 218 Cb -0.14 -3.09 -0.00 0.00 -1.51 0.00 0.00 37.83 33.08 1xpq s LYS 218 CO 0.22 -0.71 0.94 -0.51 -0.36 0.00 0.00 175.35 174.93 1xpq s LEU 219 N 1.10 3.23 -1.41 5.43 1.43 -1.26 -1.95 118.68 125.25 1xpq s LEU 219 Ca -0.02 0.93 -0.07 0.00 -1.03 0.00 0.00 54.13 53.94 1xpq s LEU 219 Cb -0.20 -3.81 0.01 0.00 0.03 0.00 0.00 46.19 42.22 1xpq s LEU 219 CO -0.05 -1.01 0.91 -1.20 0.23 0.00 0.00 176.35 175.23 1xpq n SER 220 N -2.64 -6.17 -4.03 2.29 7.64 0.74 -4.85 113.62 106.61 1xpq n SER 220 Ca 0.04 -0.42 -0.32 0.00 1.01 0.00 0.00 58.87 59.19 1xpq n SER 220 Cb 0.57 -4.88 -0.14 0.00 -1.01 0.00 0.00 64.21 58.75 1xpq n SER 220 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1xpq s GLU 222 N 0.60 3.60 -0.03 0.00 2.12 -1.26 -3.59 118.70 120.15 1xpq s GLU 222 Ca 0.12 0.28 -0.30 0.00 0.36 0.00 0.00 54.97 55.43 1xpq s GLU 222 Cb -0.21 -3.91 -0.05 0.00 0.26 0.00 0.00 34.13 30.22 1xpq s GLU 222 CO -0.05 -1.21 1.36 0.08 -0.54 0.00 0.00 175.26 174.90 1xpq s VAL 223 N 3.84 3.87 -0.71 3.70 1.01 -1.26 0.11 120.40 130.94 1xpq s VAL 223 Ca 0.39 1.21 0.21 0.00 0.00 0.00 0.00 61.98 63.78 1xpq s VAL 223 Cb -0.10 -3.78 -0.25 0.00 0.00 0.00 0.00 36.38 32.25 1xpq s VAL 223 CO 0.26 -0.02 0.76 2.29 0.00 0.00 0.00 175.10 178.39 1xpq n LYS 224 N 5.58 0.35 -3.47 2.72 2.85 0.24 -4.61 118.16 121.82 1xpq n LYS 224 Ca 0.13 -0.05 -0.11 0.00 -1.05 0.00 0.00 58.31 57.22 1xpq n LYS 224 Cb 0.44 -1.47 -0.03 0.00 -0.65 0.00 0.00 35.03 33.32 1xpq n LYS 224 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 177.40 175.81 1xpq s SER 225 N -3.34 -0.51 -0.06 -5.58 1.04 -1.21 -1.38 113.70 102.67 1xpq s SER 225 Ca 0.04 0.10 -0.03 0.00 0.48 0.00 0.00 55.95 56.54 1xpq s SER 225 Cb 0.15 0.51 0.03 0.00 0.10 0.00 0.00 66.02 66.81 1xpq s SER 225 CO 0.85 -0.79 0.14 -0.63 0.98 0.00 0.00 173.24 173.79 1xpq s ILE 226 N -3.12 -0.04 -0.04 -1.02 1.01 -0.41 -1.90 121.20 115.69 1xpq s ILE 226 Ca 0.01 0.15 0.01 0.00 0.00 0.00 0.00 60.65 60.81 1xpq s ILE 226 Cb -0.01 -0.23 0.02 0.00 0.01 0.00 0.00 42.46 42.26 1xpq s ILE 226 CO -0.08 0.06 -0.02 -0.89 0.00 0.00 0.00 174.94 174.01 1xpq s THR 227 N 0.98 0.33 -1.04 2.92 2.01 -0.47 -2.26 115.64 118.11 1xpq s THR 227 Ca -0.08 0.00 -0.14 0.00 0.31 0.00 0.00 61.69 61.79 1xpq s THR 227 Cb -0.10 -0.39 0.20 0.00 0.01 0.00 0.00 72.50 72.22 1xpq s THR 227 CO -0.05 0.18 1.15 -0.60 -0.69 0.00 0.00 174.62 174.61 1xpq s ARG 228 N 0.99 3.91 0.19 4.92 3.00 -0.95 -0.53 118.95 130.49 1xpq s ARG 228 Ca -0.10 -2.54 -0.33 0.00 -1.00 0.00 0.00 55.73 51.76 1xpq s ARG 228 Cb -0.14 -4.77 -0.14 0.00 0.00 0.00 0.00 34.95 29.89 1xpq s ARG 228 CO -0.01 -1.54 1.38 0.39 0.00 0.00 0.00 175.30 175.52 1xpq n GLU 229 N 4.75 1.76 0.18 5.12 1.02 -0.83 -4.78 120.64 127.86 1xpq n GLU 229 Ca 0.26 0.63 0.10 0.00 -0.02 0.00 0.00 57.16 58.12 1xpq n GLU 229 Cb 0.44 -2.27 0.51 0.00 -0.02 0.00 0.00 31.44 30.11 1xpq n GLU 229 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 1xpq h PRO 230 N 4.37 0.00 0.00 3.49 0.13 -1.95 -1.41 132.00 136.63 1xpq h PRO 230 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1xpq h PRO 230 Cb 1.29 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.42 1xpq h PRO 230 CO 0.77 0.00 0.00 -1.13 -0.23 0.00 0.00 178.00 177.41 1xpq n SER 231 N -2.22 0.00 -0.61 1.44 3.41 -1.26 -4.83 113.62 109.56 1xpq n SER 231 Ca -0.01 0.17 0.00 0.00 -0.26 0.00 0.00 58.87 58.77 1xpq n SER 231 Cb 0.18 -0.26 0.00 0.00 -0.26 0.00 0.00 64.21 63.87 1xpq n SER 231 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1xpq n LYS 232 N -1.26 0.00 -3.43 4.33 5.02 -0.53 -5.10 118.16 117.19 1xpq n LYS 232 Ca 0.03 0.00 -0.12 0.00 -2.02 0.00 0.00 58.31 56.20 1xpq n LYS 232 Cb 0.04 -1.91 -0.02 0.00 -0.02 0.00 0.00 35.03 33.12 1xpq n LYS 232 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 1xpq s ASN 233 N -2.62 -0.56 -0.14 4.39 0.01 -1.22 -4.95 114.94 109.86 1xpq s ASN 233 Ca 0.00 0.02 -0.03 0.00 -0.71 0.00 0.00 52.86 52.15 1xpq s ASN 233 Cb 0.00 0.58 -0.03 0.00 0.41 0.00 0.00 41.25 42.21 1xpq s ASN 233 CO 0.00 -0.93 -0.04 -0.69 -1.51 0.00 0.00 177.10 173.93 1xpq s VAL 234 N -3.61 3.86 -0.21 1.60 1.01 0.10 -1.96 120.40 121.18 1xpq s VAL 234 Ca 0.01 -0.38 -0.09 0.00 0.00 0.00 0.00 61.98 61.51 1xpq s VAL 234 Cb -0.01 -2.66 -0.05 0.00 0.00 0.00 0.00 36.38 33.66 1xpq s VAL 234 CO -0.12 0.52 0.12 -0.89 0.00 0.00 0.00 175.10 174.73 1xpq s THR 235 N 0.09 5.15 -0.12 3.92 2.01 0.32 -0.20 115.64 126.81 1xpq s THR 235 Ca -0.01 0.10 0.03 0.00 0.31 0.00 0.00 61.69 62.12 1xpq s THR 235 Cb -0.14 -3.36 0.00 0.00 0.01 0.00 0.00 72.50 69.01 1xpq s THR 235 CO 0.03 0.41 -0.22 -0.69 -0.69 0.00 0.00 174.62 173.45 1xpq s VAL 236 N 0.67 2.15 -0.30 3.82 1.01 -0.34 -1.36 120.40 126.04 1xpq s VAL 236 Ca 0.06 -0.97 0.02 0.00 0.00 0.00 0.00 61.98 61.09 1xpq s VAL 236 Cb -0.12 -1.84 0.07 0.00 0.00 0.00 0.00 36.38 34.49 1xpq s VAL 236 CO 0.01 0.55 -0.02 0.20 0.00 0.00 0.00 175.10 175.84 1xpq s ASN 237 N 0.54 4.69 1.16 3.32 0.01 -0.80 -0.77 114.94 123.10 1xpq s ASN 237 Ca -0.13 -1.63 -0.16 0.00 -0.71 0.00 0.00 52.86 50.23 1xpq s ASN 237 Cb -0.17 -1.63 0.27 0.00 0.41 0.00 0.00 41.25 40.13 1xpq s ASN 237 CO 0.04 -0.28 1.06 0.00 -1.51 0.00 0.00 177.10 176.41 1xpq h GLU 239 N -2.49 0.00 0.00 0.00 4.81 0.39 -3.13 114.58 114.16 1xpq h GLU 239 Ca -0.52 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.71 1xpq h GLU 239 Cb 1.33 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.71 1xpq h GLU 239 CO 0.46 0.34 -0.21 0.38 -0.73 0.00 0.00 179.01 179.25 1xpq h ASP 240 N 0.00 0.00 0.00 1.04 -0.00 -1.91 -3.48 116.42 112.06 1xpq h ASP 240 Ca -0.00 -0.03 0.00 0.00 -0.00 0.00 0.00 57.03 57.00 1xpq h ASP 240 Cb 0.72 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 40.05 1xpq h ASP 240 CO 0.04 0.01 0.00 0.61 -0.00 0.00 0.00 179.24 179.91 1xpq n GLY 241 N 1.21 2.17 3.66 7.15 0.00 -1.18 -5.08 105.19 113.12 1xpq n GLY 241 Ca 0.04 -0.56 -0.48 0.00 0.00 0.00 0.00 46.02 45.01 1xpq n GLY 241 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1xpq n THR 242 N 0.00 0.16 -4.95 2.61 -2.24 -1.26 -4.77 114.28 103.83 1xpq n THR 242 Ca 0.00 -0.03 -0.32 0.00 -2.27 0.00 0.00 64.05 61.43 1xpq n THR 242 Cb 0.00 -1.46 -0.14 0.00 -2.10 0.00 0.00 70.33 66.63 1xpq n THR 242 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1xpq s VAL 243 N 1.79 2.86 0.10 2.28 1.01 -1.26 -2.77 120.40 124.42 1xpq s VAL 243 Ca 0.85 -0.79 0.10 0.00 0.00 0.00 0.00 61.98 62.14 1xpq s VAL 243 Cb -0.76 -2.12 -0.04 0.00 0.00 0.00 0.00 36.38 33.47 1xpq s VAL 243 CO 0.45 0.58 -0.25 -0.31 0.00 0.00 0.00 175.10 175.56 1xpq s TYR 244 N -0.50 2.35 -0.24 5.22 1.51 0.05 -4.98 117.35 120.76 1xpq s TYR 244 Ca 0.07 -0.37 -0.04 0.00 -1.01 0.00 0.00 57.07 55.72 1xpq s TYR 244 Cb -0.12 -1.30 -0.00 0.00 -0.11 0.00 0.00 41.96 40.43 1xpq s TYR 244 CO 0.01 0.29 -0.02 1.21 -1.11 0.00 0.00 175.55 175.93 1xpq s ASN 245 N -1.85 4.46 0.13 2.29 3.84 -1.26 -1.20 114.94 121.35 1xpq s ASN 245 Ca 0.14 -0.52 0.09 0.00 0.21 0.00 0.00 52.86 52.78 1xpq s ASN 245 Cb -0.10 -1.75 -0.04 0.00 -0.55 0.00 0.00 41.25 38.81 1xpq s ASN 245 CO 0.06 -0.07 -0.22 0.00 -2.79 0.00 0.00 177.10 174.08 1xpq s ALA 246 N 1.46 2.05 0.08 1.71 0.00 0.73 -1.47 121.76 126.32 1xpq s ALA 246 Ca 0.04 -1.38 -0.14 0.00 0.00 0.00 0.00 51.96 50.48 1xpq s ALA 246 Cb -0.15 -0.28 -0.19 0.00 0.00 0.00 0.00 23.12 22.51 1xpq s ALA 246 CO -0.02 0.39 1.25 -0.44 0.00 0.00 0.00 175.76 176.94 1xpq h ASP 247 N 3.81 0.88 -4.98 0.00 3.45 -0.74 0.29 116.42 119.13 1xpq h ASP 247 Ca -0.47 -0.67 -0.25 0.00 0.43 0.00 0.00 57.03 56.08 1xpq h ASP 247 Cb 1.18 -0.26 -0.15 0.00 -0.56 0.00 0.00 39.33 39.54 1xpq h ASP 247 CO 0.42 1.42 -0.65 -0.31 -1.57 0.00 0.00 179.24 178.55 1xpq s TYR 248 N -3.59 1.10 -0.16 4.55 1.51 -0.63 -4.64 117.35 115.50 1xpq s TYR 248 Ca -0.11 -1.16 -0.06 0.00 -1.01 0.00 0.00 57.07 54.73 1xpq s TYR 248 Cb 0.07 -0.62 0.07 0.00 -0.11 0.00 0.00 41.96 41.38 1xpq s TYR 248 CO 0.90 -0.39 0.34 0.08 -1.11 0.00 0.00 175.55 175.37 1xpq s VAL 249 N -3.87 -0.40 -0.91 0.71 1.01 -0.63 -1.52 120.40 114.79 1xpq s VAL 249 Ca 0.27 0.19 -0.04 0.00 0.00 0.00 0.00 61.98 62.41 1xpq s VAL 249 Cb 0.07 -0.55 0.23 0.00 0.00 0.00 0.00 36.38 36.13 1xpq s VAL 249 CO 0.05 0.08 0.81 -0.63 0.00 0.00 0.00 175.10 175.41 1xpq s ILE 250 N 2.20 4.67 -0.01 2.22 1.01 0.02 -0.09 121.20 131.22 1xpq s ILE 250 Ca -0.03 -3.64 -0.30 0.00 0.00 0.00 0.00 60.65 56.68 1xpq s ILE 250 Cb -0.11 -3.88 -0.07 0.00 0.01 0.00 0.00 42.46 38.40 1xpq s ILE 250 CO -0.11 -1.09 1.82 -0.63 0.00 0.00 0.00 174.94 174.94 1xpq s ILE 251 N -1.15 3.29 -0.10 2.92 1.01 -0.77 -2.04 121.20 124.35 1xpq s ILE 251 Ca 0.27 0.35 0.13 0.00 0.00 0.00 0.00 60.65 61.39 1xpq s ILE 251 Cb -0.09 -3.23 0.20 0.00 0.01 0.00 0.00 42.46 39.35 1xpq s ILE 251 CO -0.11 -0.03 1.11 0.35 0.00 0.00 0.00 174.94 176.26 1xpq n THR 252 N 5.57 1.60 -1.52 2.92 -2.24 -0.01 -2.08 114.28 118.52 1xpq n THR 252 Ca 0.19 -1.84 -0.36 0.00 -2.27 0.00 0.00 64.05 59.77 1xpq n THR 252 Cb 0.42 0.00 0.08 0.00 -2.10 0.00 0.00 70.33 68.74 1xpq n THR 252 CO 0.00 0.00 0.00 1.33 -0.57 0.00 0.00 175.07 175.83 1xpq n VAL 253 N -1.10 3.88 -0.65 2.28 0.24 -1.26 -4.72 118.33 117.01 1xpq n VAL 253 Ca 0.11 -0.41 -0.31 0.00 -2.04 0.00 0.00 64.34 61.69 1xpq n VAL 253 Cb 0.52 -1.33 0.18 0.00 -1.47 0.00 0.00 33.84 31.74 1xpq n VAL 253 CO 0.00 0.00 0.00 -2.65 -2.14 0.00 0.00 176.83 172.04 1xpq n PRO 254 N -2.13 -0.98 -0.04 7.34 -0.02 -1.26 -4.67 135.00 133.25 1xpq n PRO 254 Ca 0.15 -0.24 -0.11 0.00 -2.02 0.00 0.00 63.50 61.29 1xpq n PRO 254 Cb 0.49 -2.19 -0.05 0.00 -0.02 0.00 0.00 33.50 31.73 1xpq n PRO 254 CO 0.00 0.00 0.00 0.37 1.98 0.00 0.00 175.50 177.85 1xpq h GLN 255 N -2.04 0.23 -0.97 -0.52 -0.00 -1.91 0.11 115.11 110.01 1xpq h GLN 255 Ca -0.48 -0.03 0.15 0.00 -0.00 0.00 0.00 58.65 58.30 1xpq h GLN 255 Cb 1.29 -0.04 -0.09 0.00 0.00 0.00 0.00 27.48 28.64 1xpq h GLN 255 CO 0.41 0.23 0.61 0.66 0.00 0.00 0.00 178.83 180.75 1xpq h SER 256 N 0.16 0.77 0.33 -0.69 4.64 -1.91 0.11 113.55 116.96 1xpq h SER 256 Ca 0.06 0.06 -0.02 0.00 -0.47 0.00 0.00 61.79 61.42 1xpq h SER 256 Cb 0.07 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 62.08 1xpq h SER 256 CO -0.01 0.36 -0.16 0.58 -0.87 0.00 0.00 176.83 176.73 1xpq h VAL 257 N 0.79 0.00 -1.00 0.95 2.07 -1.67 -3.22 116.25 114.17 1xpq h VAL 257 Ca 0.51 -0.28 0.39 0.00 0.82 0.00 0.00 66.70 68.13 1xpq h VAL 257 Cb 0.73 0.00 -0.18 0.00 -1.52 0.00 0.00 31.29 30.33 1xpq h VAL 257 CO -0.27 0.00 0.48 0.25 0.02 0.00 0.00 177.57 178.05 1xpq h LEU 258 N -0.73 0.24 -2.11 2.57 5.85 -0.51 1.40 115.31 122.02 1xpq h LEU 258 Ca -0.05 0.26 0.04 0.00 0.84 0.00 0.00 57.88 58.97 1xpq h LEU 258 Cb 0.34 0.28 -0.00 0.00 0.37 0.00 0.00 40.66 41.65 1xpq h LEU 258 CO 0.08 -0.40 0.10 -1.13 -0.34 0.00 0.00 178.44 176.74 1xpq h ASN 259 N 0.03 0.00 -0.05 1.25 -0.73 -0.80 -0.44 115.58 114.84 1xpq h ASN 259 Ca 0.81 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.98 1xpq h ASN 259 Cb 2.07 0.00 -0.00 0.00 0.27 0.00 0.00 38.32 40.66 1xpq h ASN 259 CO -0.77 0.00 0.03 -0.07 -0.37 0.00 0.00 177.43 176.25 1xpq h LEU 260 N 0.00 0.04 -1.99 0.34 3.38 0.19 -0.72 115.31 116.56 1xpq h LEU 260 Ca 0.06 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1xpq h LEU 260 Cb 0.26 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.00 1xpq h LEU 260 CO -0.00 0.03 0.00 0.28 0.09 0.00 0.00 178.44 178.84 1xpq h SER 261 N 0.05 0.00 -2.12 -0.43 0.02 -1.16 -2.50 113.55 107.41 1xpq h SER 261 Ca 0.02 0.00 -0.68 0.00 -0.84 0.00 0.00 61.79 60.29 1xpq h SER 261 Cb 0.02 0.00 -0.36 0.00 0.14 0.00 0.00 62.40 62.20 1xpq h SER 261 CO -0.00 0.00 0.04 1.33 -1.14 0.00 0.00 176.83 177.06 1xpq n VAL 262 N -2.60 3.94 -3.49 2.27 0.24 -0.27 -4.83 118.33 113.60 1xpq n VAL 262 Ca -0.02 -5.46 -0.15 0.00 -2.04 0.00 0.00 64.34 56.67 1xpq n VAL 262 Cb 0.07 -1.41 -0.04 0.00 -1.47 0.00 0.00 33.84 30.99 1xpq n VAL 262 CO 0.00 0.00 0.00 -1.10 -2.14 0.00 0.00 176.83 173.59 1xpq s GLN 263 N -3.82 1.14 0.39 7.34 -0.21 -0.94 -5.08 119.66 118.49 1xpq s GLN 263 Ca 0.46 -0.10 -0.23 0.00 0.02 0.00 0.00 55.36 55.51 1xpq s GLN 263 Cb 0.29 0.53 -0.10 0.00 1.00 0.00 0.00 33.01 34.73 1xpq s GLN 263 CO -0.18 -0.43 0.96 -1.25 -2.12 0.00 0.00 175.29 172.28 1xpq s PRO 264 N -2.37 4.34 0.00 2.91 0.04 -1.26 -4.78 135.00 133.87 1xpq s PRO 264 Ca -0.05 1.24 0.00 0.00 0.04 0.00 0.00 61.00 62.22 1xpq s PRO 264 Cb -0.00 -2.43 0.00 0.00 0.04 0.00 0.00 34.50 32.10 1xpq s PRO 264 CO -0.01 0.06 0.00 0.39 0.04 0.00 0.00 177.00 177.48 1xpq n GLU 265 N -0.17 0.00 0.00 4.56 1.02 -1.26 -5.00 120.64 119.79 1xpq n GLU 265 Ca 0.05 0.25 0.12 0.00 -0.02 0.00 0.00 57.16 57.57 1xpq n GLU 265 Cb 0.52 -0.29 0.15 0.00 -0.02 0.00 0.00 31.44 31.80 1xpq n GLU 265 CO 0.00 0.00 0.00 0.36 1.18 0.00 0.00 177.13 178.67 1xpq n LYS 266 N 1.34 2.23 -0.23 3.49 2.85 -1.26 -4.24 118.16 122.33 1xpq n LYS 266 Ca 0.00 -1.79 -0.06 0.00 -1.05 0.00 0.00 58.31 55.41 1xpq n LYS 266 Cb 0.00 -1.46 0.09 0.00 -0.65 0.00 0.00 35.03 33.00 1xpq n LYS 266 CO 0.00 0.00 0.00 -0.97 -0.05 0.00 0.00 177.40 176.38 1xpq h ASN 267 N 4.38 1.01 0.00 -5.58 -0.73 -1.98 -3.42 115.58 109.25 1xpq h ASN 267 Ca 0.00 -0.20 -0.48 0.00 1.87 0.00 0.00 56.30 57.49 1xpq h ASN 267 Cb 0.93 -0.26 -0.09 0.00 0.27 0.00 0.00 38.32 39.17 1xpq h ASN 267 CO 0.00 0.96 1.77 0.18 -0.37 0.00 0.00 177.43 179.97 1xpq n LEU 268 N -4.24 0.09 -4.52 0.34 4.77 -1.26 -4.73 117.00 107.44 1xpq n LEU 268 Ca 0.05 0.09 -0.53 0.00 -0.03 0.00 0.00 56.01 55.60 1xpq n LEU 268 Cb 0.25 -0.86 -0.06 0.00 -2.33 0.00 0.00 43.42 40.41 1xpq n LEU 268 CO 0.42 -0.79 0.58 -1.14 -1.33 0.00 0.00 177.39 175.13 1xpq n ARG 269 N 8.06 0.54 0.00 3.23 0.63 -1.26 -2.41 116.66 125.44 1xpq n ARG 269 Ca 0.65 0.19 0.00 0.00 -0.92 0.00 0.00 57.85 57.78 1xpq n ARG 269 Cb 0.04 -1.64 0.00 0.00 0.45 0.00 0.00 32.46 31.31 1xpq n ARG 269 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1xpq n GLY 270 N 1.90 3.39 3.76 5.14 0.00 -1.26 -4.84 105.19 113.28 1xpq n GLY 270 Ca 0.18 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.86 1xpq n GLY 270 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1xpq s ARG 271 N -0.80 2.88 -0.12 1.61 3.52 -1.01 -4.89 118.95 120.15 1xpq s ARG 271 Ca 0.00 1.58 0.02 0.00 -0.13 0.00 0.00 55.73 57.20 1xpq s ARG 271 Cb 0.00 -1.94 0.02 0.00 -1.56 0.00 0.00 34.95 31.46 1xpq s ARG 271 CO 0.00 -1.22 -0.16 0.42 -0.81 0.00 0.00 175.30 173.54 1xpq s ILE 272 N -2.00 1.55 -0.12 4.11 1.01 -1.26 -4.55 121.20 119.93 1xpq s ILE 272 Ca 0.71 -0.66 -0.28 0.00 0.00 0.00 0.00 60.65 60.42 1xpq s ILE 272 Cb -0.24 -1.41 -0.01 0.00 0.01 0.00 0.00 42.46 40.80 1xpq s ILE 272 CO 0.36 0.45 0.96 -0.70 0.00 0.00 0.00 174.94 176.02 1xpq s GLU 273 N 1.04 4.39 -0.20 2.79 2.56 -0.48 -4.57 118.70 124.24 1xpq s GLU 273 Ca -0.05 1.30 -0.07 0.00 0.00 0.00 0.00 54.97 56.15 1xpq s GLU 273 Cb -0.15 -3.55 -0.03 0.00 2.00 0.00 0.00 34.13 32.40 1xpq s GLU 273 CO -0.03 -0.32 0.05 -0.06 -0.56 0.00 0.00 175.26 174.34 1xpq s PHE 274 N 2.05 3.16 -0.26 5.30 0.40 -1.26 -1.29 117.98 126.07 1xpq s PHE 274 Ca 0.46 -0.14 -0.03 0.00 -0.60 0.00 0.00 56.93 56.62 1xpq s PHE 274 Cb -0.18 -2.10 0.09 0.00 0.51 0.00 0.00 43.02 41.34 1xpq s PHE 274 CO 0.16 -0.03 0.10 -1.14 0.70 0.00 0.00 175.22 175.02 1xpq s GLN 275 N 0.72 0.32 0.75 0.44 2.00 -0.96 -1.24 119.66 121.69 1xpq s GLN 275 Ca 0.02 -0.53 -0.14 0.00 -2.00 0.00 0.00 55.36 52.71 1xpq s GLN 275 Cb -0.14 -1.56 0.05 0.00 0.80 0.00 0.00 33.01 32.17 1xpq s GLN 275 CO 0.02 -0.90 1.19 -1.25 -0.50 0.00 0.00 175.29 173.85 1xpq s PRO 276 N 1.99 2.02 0.81 1.67 0.04 -1.26 -2.23 135.00 138.04 1xpq s PRO 276 Ca 0.07 1.71 -0.11 0.00 0.04 0.00 0.00 61.00 62.71 1xpq s PRO 276 Cb -0.16 -1.83 0.08 0.00 0.04 0.00 0.00 34.50 32.63 1xpq s PRO 276 CO -0.26 -1.91 1.11 -1.25 0.04 0.00 0.00 177.00 174.73 1xpq s PRO 277 N -4.03 1.92 0.08 0.56 0.04 -0.37 -4.87 135.00 128.32 1xpq s PRO 277 Ca 0.73 1.30 -0.37 0.00 0.04 0.00 0.00 61.00 62.70 1xpq s PRO 277 Cb -0.28 -1.85 -0.17 0.00 0.04 0.00 0.00 34.50 32.24 1xpq s PRO 277 CO 0.47 -1.92 1.29 1.28 0.04 0.00 0.00 177.00 178.16 1xpq n LEU 278 N -3.67 1.43 -4.73 -3.56 4.77 -1.26 -4.85 117.00 105.13 1xpq n LEU 278 Ca 0.10 1.13 -0.36 0.00 -0.03 0.00 0.00 56.01 56.85 1xpq n LEU 278 Cb 0.53 -1.16 0.07 0.00 -2.33 0.00 0.00 43.42 40.53 1xpq n LEU 278 CO 0.52 -1.17 0.85 -1.59 -1.33 0.00 0.00 177.39 174.66 1xpq s LYS 279 N 0.37 2.47 0.23 3.23 -2.85 -1.26 -4.68 119.74 117.25 1xpq s LYS 279 Ca 0.84 1.89 -0.12 0.00 -1.00 0.00 0.00 55.97 57.59 1xpq s LYS 279 Cb -0.99 -1.86 0.31 0.00 -2.06 0.00 0.00 37.83 33.24 1xpq s LYS 279 CO 0.48 -1.61 1.60 -1.00 0.10 0.00 0.00 175.35 174.92 1xpq h PRO 280 N 0.28 -0.01 -0.09 1.78 0.13 -1.99 0.25 132.00 132.34 1xpq h PRO 280 Ca -0.50 0.00 0.03 0.00 -0.87 0.00 0.00 66.00 64.66 1xpq h PRO 280 Cb 1.31 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.44 1xpq h PRO 280 CO 0.52 -0.01 0.42 -0.24 -0.23 0.00 0.00 178.00 178.46 1xpq h VAL 281 N -0.01 0.07 0.00 1.56 3.04 -2.00 -0.54 116.25 118.36 1xpq h VAL 281 Ca 0.37 0.00 -0.10 0.00 -1.01 0.00 0.00 66.70 65.95 1xpq h VAL 281 Cb 0.57 0.60 -0.02 0.00 -2.01 0.00 0.00 31.29 30.44 1xpq h VAL 281 CO -0.81 0.00 -0.63 0.40 -1.01 0.00 0.00 177.57 175.53 1xpq h ILE 282 N 0.00 0.98 -0.08 3.17 1.08 -0.86 -3.33 117.51 118.47 1xpq h ILE 282 Ca 0.04 -1.95 0.02 0.00 -0.39 0.00 0.00 64.86 62.58 1xpq h ILE 282 Cb 0.87 2.07 -0.00 0.00 -3.07 0.00 0.00 36.82 36.69 1xpq h ILE 282 CO -0.00 0.33 0.07 1.56 -0.69 0.00 0.00 178.15 179.42 1xpq h GLN 283 N -1.00 0.00 -0.33 2.37 4.20 -0.90 -2.70 115.11 116.75 1xpq h GLN 283 Ca -0.15 0.00 -0.09 0.00 0.06 0.00 0.00 58.65 58.46 1xpq h GLN 283 Cb 0.97 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.74 1xpq h GLN 283 CO -0.09 0.00 -0.16 -0.44 -0.67 0.00 0.00 178.83 177.46 1xpq h ASP 284 N 0.00 0.71 0.00 1.46 3.32 -1.30 -3.01 116.42 117.60 1xpq h ASP 284 Ca 0.04 -0.41 0.00 0.00 0.02 0.00 0.00 57.03 56.68 1xpq h ASP 284 Cb 0.18 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 39.53 1xpq h ASP 284 CO -0.00 0.96 0.01 0.00 -1.72 0.00 0.00 179.24 178.49 1xpq n ALA 285 N -2.46 1.00 0.36 3.45 0.00 -1.02 -1.17 120.51 120.68 1xpq n ALA 285 Ca -0.03 0.11 0.10 0.00 0.00 0.00 0.00 53.44 53.62 1xpq n ALA 285 Cb 0.39 -1.15 0.44 0.00 0.00 0.00 0.00 19.45 19.13 1xpq n ALA 285 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1xpq n PHE 286 N -1.90 0.58 -0.70 0.00 0.99 -1.14 -2.49 117.46 112.81 1xpq n PHE 286 Ca -0.01 0.24 0.06 0.00 -0.00 0.00 0.00 57.45 57.75 1xpq n PHE 286 Cb 0.03 -0.89 0.36 0.00 -1.00 0.00 0.00 39.48 37.98 1xpq n PHE 286 CO 0.00 0.00 0.00 -0.25 -0.00 0.00 0.00 176.76 176.51 1xpq n ASP 287 N -2.04 5.25 0.00 4.37 9.92 -0.32 -4.38 116.55 129.35 1xpq n ASP 287 Ca 0.02 -2.83 0.00 0.00 -0.53 0.00 0.00 54.79 51.45 1xpq n ASP 287 Cb 0.18 -0.67 0.00 0.00 -0.64 0.00 0.00 41.12 39.99 1xpq n ASP 287 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 1xpq n LYS 288 N 0.57 0.26 0.00 -1.24 5.02 -1.04 -5.14 118.16 116.59 1xpq n LYS 288 Ca 0.25 -0.51 0.00 0.00 -2.02 0.00 0.00 58.31 56.03 1xpq n LYS 288 Cb 1.10 -0.56 0.00 0.00 -0.02 0.00 0.00 35.03 35.55 1xpq n LYS 288 CO 0.00 0.00 0.00 0.44 -0.52 0.00 0.00 177.40 177.32 1xpq n ILE 289 N -0.05 0.00 -1.35 -0.18 -5.35 -1.26 -4.86 119.36 106.32 1xpq n ILE 289 Ca 0.00 0.00 0.17 0.00 -0.27 0.00 0.00 62.75 62.65 1xpq n ILE 289 Cb 0.42 0.00 -0.08 0.00 -1.74 0.00 0.00 39.64 38.25 1xpq n ILE 289 CO 0.00 0.00 0.00 1.41 -1.76 0.00 0.00 176.55 176.20 1xpq n HIS 290 N 0.00 -3.58 0.00 4.28 8.25 0.14 -4.87 115.22 119.44 1xpq n HIS 290 Ca 0.00 1.94 0.00 0.00 -0.26 0.00 0.00 57.72 59.40 1xpq n HIS 290 Cb 0.00 -3.26 0.00 0.00 1.12 0.00 0.00 29.99 27.85 1xpq n HIS 290 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 1xpq n PHE 291 N -4.20 0.00 -3.48 4.41 7.35 -1.22 -4.21 117.46 116.11 1xpq n PHE 291 Ca -0.07 0.00 -0.37 0.00 -0.76 0.00 0.00 57.45 56.25 1xpq n PHE 291 Cb 0.64 0.00 -0.07 0.00 0.35 0.00 0.00 39.48 40.40 1xpq n PHE 291 CO 0.00 0.00 0.00 0.20 -0.76 0.00 0.00 176.76 176.20 1xpq s GLY 292 N -1.60 2.22 -0.42 7.13 0.00 0.22 -4.55 107.32 110.32 1xpq s GLY 292 Ca 0.00 -0.43 0.05 0.00 0.00 0.00 0.00 44.72 44.34 1xpq s GLY 292 CO 0.00 0.54 1.24 0.00 0.00 0.00 0.00 173.10 174.88 1xpq n ALA 293 N 3.72 5.20 -2.67 3.20 0.00 -1.10 -1.01 120.51 127.85 1xpq n ALA 293 Ca -0.11 -4.06 -0.41 0.00 0.00 0.00 0.00 53.44 48.86 1xpq n ALA 293 Cb 0.52 -0.61 -0.04 0.00 0.00 0.00 0.00 19.45 19.32 1xpq n ALA 293 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1xpq s LEU 294 N -3.61 4.18 0.40 0.00 2.96 -1.24 -2.96 118.68 118.40 1xpq s LEU 294 Ca 0.50 1.18 0.07 0.00 -0.22 0.00 0.00 54.13 55.66 1xpq s LEU 294 Cb 0.41 -3.23 -0.08 0.00 0.50 0.00 0.00 46.19 43.79 1xpq s LEU 294 CO -0.10 -0.40 -0.01 -0.83 -1.32 0.00 0.00 176.35 173.69 1xpq s GLY 295 N 1.15 2.45 0.17 7.98 0.00 -0.47 -4.84 107.32 113.75 1xpq s GLY 295 Ca 0.38 -2.27 0.06 0.00 0.00 0.00 0.00 44.72 42.90 1xpq s GLY 295 CO 0.12 -2.08 -0.13 0.54 0.00 0.00 0.00 173.10 171.56 1xpq s LYS 296 N -3.70 1.17 -0.10 2.90 1.02 -1.26 -0.85 119.74 118.93 1xpq s LYS 296 Ca 0.35 -1.47 -0.05 0.00 0.02 0.00 0.00 55.97 54.82 1xpq s LYS 296 Cb 0.09 -0.89 0.04 0.00 -0.52 0.00 0.00 37.83 36.55 1xpq s LYS 296 CO 0.18 0.14 0.23 0.08 -0.92 0.00 0.00 175.35 175.06 1xpq s VAL 297 N -2.95 -0.04 -0.24 3.17 1.01 -0.60 -2.13 120.40 118.63 1xpq s VAL 297 Ca 0.18 0.15 -0.04 0.00 0.00 0.00 0.00 61.98 62.26 1xpq s VAL 297 Cb -0.00 -0.35 -0.00 0.00 0.00 0.00 0.00 36.38 36.02 1xpq s VAL 297 CO 0.04 0.06 -0.01 -0.63 0.00 0.00 0.00 175.10 174.55 1xpq s ILE 298 N 1.18 3.53 -0.38 2.22 -1.09 0.26 -0.71 121.20 126.21 1xpq s ILE 298 Ca -0.09 -0.54 -0.13 0.00 -2.23 0.00 0.00 60.65 57.66 1xpq s ILE 298 Cb -0.10 -2.67 0.02 0.00 -1.58 0.00 0.00 42.46 38.13 1xpq s ILE 298 CO -0.08 0.33 0.24 -0.36 -1.23 0.00 0.00 174.94 173.85 1xpq s PHE 299 N 1.48 3.24 -0.28 3.97 0.40 -0.91 -1.32 117.98 124.55 1xpq s PHE 299 Ca 0.05 -0.77 -0.08 0.00 -0.60 0.00 0.00 56.93 55.53 1xpq s PHE 299 Cb -0.15 -2.50 -0.01 0.00 0.51 0.00 0.00 43.02 40.87 1xpq s PHE 299 CO -0.02 -0.61 0.10 -1.21 0.70 0.00 0.00 175.22 174.19 1xpq s GLU 300 N 1.61 3.38 0.15 0.44 2.02 -0.13 -1.33 118.70 124.85 1xpq s GLU 300 Ca 0.03 -0.67 0.03 0.00 0.02 0.00 0.00 54.97 54.38 1xpq s GLU 300 Cb -0.19 -3.43 -0.04 0.00 0.10 0.00 0.00 34.13 30.58 1xpq s GLU 300 CO 0.08 -0.34 0.28 -0.06 0.02 0.00 0.00 175.26 175.24 1xpq s PHE 301 N 1.58 3.46 0.17 1.61 0.40 -0.69 -0.18 117.98 124.34 1xpq s PHE 301 Ca 0.05 0.10 -0.15 0.00 -0.60 0.00 0.00 56.93 56.34 1xpq s PHE 301 Cb -0.16 -1.65 0.08 0.00 0.51 0.00 0.00 43.02 41.79 1xpq s PHE 301 CO 0.04 0.51 1.80 1.49 0.70 0.00 0.00 175.22 179.76 1xpq h GLU 302 N 2.12 0.49 -3.23 0.44 4.81 -1.52 -3.44 114.58 114.25 1xpq h GLU 302 Ca -0.49 -0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 58.71 1xpq h GLU 302 Cb 1.20 -0.11 -0.09 0.00 0.63 0.00 0.00 28.75 30.38 1xpq h GLU 302 CO 0.68 0.32 0.09 -1.83 -0.73 0.00 0.00 179.01 177.54 1xpq s GLU 303 N -6.15 1.48 0.08 1.92 -1.05 -1.26 -4.90 118.70 108.83 1xpq s GLU 303 Ca -0.13 -0.88 -0.28 0.00 -0.15 0.00 0.00 54.97 53.53 1xpq s GLU 303 Cb 0.12 0.55 -0.06 0.00 -0.44 0.00 0.00 34.13 34.30 1xpq s GLU 303 CO 0.73 -0.64 0.89 0.00 0.95 0.00 0.00 175.26 177.18 1xpq s TRP 306 N 0.00 1.38 0.61 0.00 -2.14 -1.26 -4.54 118.94 112.99 1xpq s TRP 306 Ca 0.18 -0.57 -0.18 0.00 2.66 0.00 0.00 56.10 58.18 1xpq s TRP 306 Cb 0.20 -0.72 -0.03 0.00 -3.10 0.00 0.00 33.47 29.83 1xpq s TRP 306 CO -0.09 0.14 1.19 -1.54 -2.66 0.00 0.00 176.95 173.99 1xpq s SER 307 N -2.51 5.13 -0.61 -2.66 1.04 0.11 -4.96 113.70 109.23 1xpq s SER 307 Ca 0.09 2.34 0.03 0.00 0.48 0.00 0.00 55.95 58.89 1xpq s SER 307 Cb -0.04 -2.59 0.38 0.00 0.10 0.00 0.00 66.02 63.86 1xpq s SER 307 CO 0.03 -1.63 1.37 0.59 0.98 0.00 0.00 173.24 174.57 1xpq n ASN 308 N -1.73 5.59 0.19 7.02 3.02 -1.26 -4.75 115.26 123.34 1xpq n ASN 308 Ca 0.13 -3.74 0.03 0.00 -0.03 0.00 0.00 54.58 50.97 1xpq n ASN 308 Cb 0.50 -0.69 0.38 0.00 -0.61 0.00 0.00 39.78 39.36 1xpq n ASN 308 CO 0.00 0.00 0.00 -0.08 -2.62 0.00 0.00 177.26 174.56 1xpq h GLU 309 N 2.89 0.00 -3.02 3.52 4.81 -1.95 -3.46 114.58 117.38 1xpq h GLU 309 Ca 0.36 0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 59.54 1xpq h GLU 309 Cb 0.58 0.00 -0.14 0.00 0.63 0.00 0.00 28.75 29.81 1xpq h GLU 309 CO 1.02 0.35 0.04 0.45 -0.73 0.00 0.00 179.01 180.13 1xpq s SER 310 N -6.92 -0.40 0.03 1.04 0.15 -1.26 -4.94 113.70 101.39 1xpq s SER 310 Ca -0.03 -0.02 0.23 0.00 0.70 0.00 0.00 55.95 56.84 1xpq s SER 310 Cb 0.14 0.51 0.17 0.00 -1.71 0.00 0.00 66.02 65.13 1xpq s SER 310 CO 0.72 -0.81 1.15 -1.54 1.20 0.00 0.00 173.24 173.96 1xpq n SER 311 N 0.05 0.65 -4.17 5.45 3.41 -1.26 -4.67 113.62 113.08 1xpq n SER 311 Ca -0.17 -0.34 -0.34 0.00 -0.26 0.00 0.00 58.87 57.76 1xpq n SER 311 Cb 0.62 0.61 -0.15 0.00 -0.26 0.00 0.00 64.21 65.03 1xpq n SER 311 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1xpq s LYS 312 N -3.09 2.94 -0.04 4.33 -0.14 -1.26 0.45 119.74 122.93 1xpq s LYS 312 Ca 0.07 -0.88 0.03 0.00 -1.36 0.00 0.00 55.97 53.83 1xpq s LYS 312 Cb 0.16 -2.78 0.00 0.00 -1.68 0.00 0.00 37.83 33.53 1xpq s LYS 312 CO 0.77 -0.29 -0.12 0.42 -0.76 0.00 0.00 175.35 175.37 1xpq s ILE 313 N 1.31 1.07 -0.08 2.17 1.01 -0.12 -1.05 121.20 125.50 1xpq s ILE 313 Ca 0.03 -0.50 0.00 0.00 0.00 0.00 0.00 60.65 60.18 1xpq s ILE 313 Cb -0.15 -0.94 0.02 0.00 0.01 0.00 0.00 42.46 41.40 1xpq s ILE 313 CO -0.09 0.32 -0.06 -0.69 0.00 0.00 0.00 174.94 174.43 1xpq s VAL 314 N 0.25 0.82 -0.11 2.92 1.01 -1.01 0.83 120.40 125.11 1xpq s VAL 314 Ca -0.06 -0.21 -0.15 0.00 0.00 0.00 0.00 61.98 61.56 1xpq s VAL 314 Cb -0.11 -0.85 -0.05 0.00 0.00 0.00 0.00 36.38 35.37 1xpq s VAL 314 CO 0.02 0.32 0.38 0.42 0.00 0.00 0.00 175.10 176.23 1xpq s THR 315 N 1.43 5.21 0.20 3.92 -4.23 -0.31 -1.73 115.64 120.13 1xpq s THR 315 Ca -0.02 0.75 -0.19 0.00 -1.18 0.00 0.00 61.69 61.05 1xpq s THR 315 Cb -0.13 -3.71 -0.08 0.00 1.34 0.00 0.00 72.50 69.92 1xpq s THR 315 CO -0.04 0.42 0.69 -0.76 -0.54 0.00 0.00 174.62 174.39 1xpq s LEU 316 N 0.12 4.36 0.55 4.79 1.02 -0.63 -1.29 118.68 127.61 1xpq s LEU 316 Ca 0.21 1.36 -0.19 0.00 0.02 0.00 0.00 54.13 55.53 1xpq s LEU 316 Cb -0.15 -3.48 -0.05 0.00 0.02 0.00 0.00 46.19 42.53 1xpq s LEU 316 CO 0.08 0.06 1.15 0.00 0.02 0.00 0.00 176.35 177.67 1xpq s ALA 317 N -1.48 2.68 0.32 4.21 0.00 -1.26 -4.58 121.76 121.65 1xpq s ALA 317 Ca 0.41 0.88 -0.28 0.00 0.00 0.00 0.00 51.96 52.96 1xpq s ALA 317 Cb -0.17 -3.38 -0.13 0.00 0.00 0.00 0.00 23.12 19.44 1xpq s ALA 317 CO 0.21 -0.86 1.26 0.09 0.00 0.00 0.00 175.76 176.46 1xpq n ASN 318 N -1.32 2.52 -4.56 0.00 3.02 -0.81 -4.91 115.26 109.19 1xpq n ASN 318 Ca 0.12 1.20 -0.24 0.00 -0.03 0.00 0.00 54.58 55.62 1xpq n ASN 318 Cb 0.50 -1.45 -0.09 0.00 -0.61 0.00 0.00 39.78 38.14 1xpq n ASN 318 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 1xpq s SER 319 N -0.28 3.97 0.12 6.41 1.04 -1.26 -5.06 113.70 118.64 1xpq s SER 319 Ca 0.57 -0.98 0.06 0.00 0.48 0.00 0.00 55.95 56.09 1xpq s SER 319 Cb -0.60 -0.48 -0.04 0.00 0.10 0.00 0.00 66.02 65.00 1xpq s SER 319 CO 0.60 -0.09 -0.14 0.42 0.98 0.00 0.00 173.24 175.01 1xpq s THR 320 N -2.50 1.31 0.26 2.02 -4.23 -1.26 -5.03 115.64 106.21 1xpq s THR 320 Ca 0.32 -1.69 -0.04 0.00 -1.18 0.00 0.00 61.69 59.09 1xpq s THR 320 Cb -0.02 -1.50 0.21 0.00 1.34 0.00 0.00 72.50 72.53 1xpq s THR 320 CO 0.17 -0.41 1.88 0.78 -0.54 0.00 0.00 174.62 176.51 1xpq h ASN 321 N 3.56 1.01 1.41 3.99 2.35 -2.00 -1.96 115.58 123.93 1xpq h ASN 321 Ca -0.40 -0.09 0.00 0.00 -0.55 0.00 0.00 56.30 55.26 1xpq h ASN 321 Cb 1.20 -0.26 0.00 0.00 0.05 0.00 0.00 38.32 39.31 1xpq h ASN 321 CO 0.50 0.81 0.00 1.05 -1.65 0.00 0.00 177.43 178.15 1xpq h GLU 322 N 1.13 0.00 -0.53 0.81 9.09 -1.99 -2.02 114.58 121.07 1xpq h GLU 322 Ca 0.28 0.00 -0.02 0.00 0.05 0.00 0.00 59.36 59.67 1xpq h GLU 322 Cb 0.03 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 27.11 1xpq h GLU 322 CO -0.05 0.00 0.25 0.35 0.05 0.00 0.00 179.01 179.62 1xpq h PHE 323 N 0.00 0.76 0.07 2.06 3.57 -1.77 -0.82 116.94 120.81 1xpq h PHE 323 Ca 0.00 -0.04 -0.00 0.00 3.53 0.00 0.00 57.97 61.46 1xpq h PHE 323 Cb 0.71 -0.24 -0.00 0.00 2.79 0.00 0.00 35.95 39.21 1xpq h PHE 323 CO 0.00 0.60 -0.06 0.28 -2.23 0.00 0.00 178.31 176.90 1xpq h VAL 324 N 0.71 0.00 -0.66 1.41 2.07 -1.25 -2.01 116.25 116.52 1xpq h VAL 324 Ca 0.18 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.82 1xpq h VAL 324 Cb 0.12 0.00 -0.13 0.00 -1.52 0.00 0.00 31.29 29.77 1xpq h VAL 324 CO -0.02 0.00 -0.29 1.05 0.02 0.00 0.00 177.57 178.33 1xpq h GLU 325 N -0.13 -0.10 -0.77 1.57 4.11 -1.36 1.20 114.58 119.10 1xpq h GLU 325 Ca -0.01 0.01 0.22 0.00 0.07 0.00 0.00 59.36 59.65 1xpq h GLU 325 Cb 0.11 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.35 1xpq h GLU 325 CO -0.01 -0.06 0.66 0.82 0.07 0.00 0.00 179.01 180.49 1xpq h ILE 326 N -0.10 0.40 0.19 -1.06 2.04 -1.06 0.44 117.51 118.36 1xpq h ILE 326 Ca 0.28 0.00 -0.33 0.00 1.00 0.00 0.00 64.86 65.80 1xpq h ILE 326 Cb 0.55 0.51 0.02 0.00 -0.74 0.00 0.00 36.82 37.15 1xpq h ILE 326 CO -0.73 0.00 -1.62 0.58 0.00 0.00 0.00 178.15 176.38 1xpq h VAL 327 N 0.00 1.04 0.00 1.67 2.07 0.21 -2.34 116.25 118.90 1xpq h VAL 327 Ca 0.36 -2.54 0.00 0.00 0.82 0.00 0.00 66.70 65.34 1xpq h VAL 327 Cb 1.68 2.84 0.00 0.00 -1.52 0.00 0.00 31.29 34.29 1xpq h VAL 327 CO -0.00 0.83 0.00 0.54 0.02 0.00 0.00 177.57 178.95 1xpq n ARG 328 N -3.68 0.01 -0.06 1.57 5.12 0.13 -3.15 116.66 116.60 1xpq n ARG 328 Ca -0.23 0.29 -0.05 0.00 -1.93 0.00 0.00 57.85 55.93 1xpq n ARG 328 Cb 1.05 -1.50 -0.10 0.00 -1.16 0.00 0.00 32.46 30.76 1xpq n ARG 328 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 1xpq n ASN 329 N -1.49 1.96 -4.61 0.55 5.03 0.36 -5.01 115.26 112.06 1xpq n ASN 329 Ca 0.03 0.00 -0.49 0.00 0.87 0.00 0.00 54.58 54.99 1xpq n ASN 329 Cb 0.13 0.86 -0.05 0.00 -1.02 0.00 0.00 39.78 39.71 1xpq n ASN 329 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1xpq n ALA 330 N -2.42 -0.31 0.12 5.41 0.00 -0.88 -4.86 120.51 117.57 1xpq n ALA 330 Ca -0.19 0.47 0.07 0.00 0.00 0.00 0.00 53.44 53.80 1xpq n ALA 330 Cb 0.86 -2.12 0.03 0.00 0.00 0.00 0.00 19.45 18.22 1xpq n ALA 330 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1xpq h GLU 331 N 4.28 0.00 -1.93 0.00 5.08 -1.91 -3.49 114.58 116.61 1xpq h GLU 331 Ca -0.45 0.00 0.24 0.00 -1.00 0.00 0.00 59.36 58.15 1xpq h GLU 331 Cb 1.32 0.00 -0.11 0.00 0.50 0.00 0.00 28.75 30.46 1xpq h GLU 331 CO 0.76 0.16 0.64 0.54 -1.00 0.00 0.00 179.01 180.11 1xpq s ASN 332 N -5.86 -0.13 0.32 1.42 4.22 -1.26 -5.04 114.94 108.60 1xpq s ASN 332 Ca 0.02 -0.26 0.09 0.00 -2.14 0.00 0.00 52.86 50.57 1xpq s ASN 332 Cb 0.08 0.33 0.95 0.00 1.28 0.00 0.00 41.25 43.89 1xpq s ASN 332 CO 0.76 -0.61 1.64 0.25 -2.04 0.00 0.00 177.10 177.10 1xpq h LEU 333 N 2.00 0.23 0.54 3.54 6.46 -1.96 -1.19 115.31 124.92 1xpq h LEU 333 Ca -0.26 0.21 -0.03 0.00 -0.12 0.00 0.00 57.88 57.68 1xpq h LEU 333 Cb 1.22 0.23 0.01 0.00 -0.73 0.00 0.00 40.66 41.38 1xpq h LEU 333 CO 0.27 -0.19 -0.26 0.44 -0.62 0.00 0.00 178.44 178.08 1xpq h ASP 334 N 0.23 -0.61 0.00 1.25 3.45 -1.99 -0.03 116.42 118.71 1xpq h ASP 334 Ca 0.67 -0.05 0.00 0.00 0.43 0.00 0.00 57.03 58.07 1xpq h ASP 334 Cb 1.48 0.16 0.00 0.00 -0.56 0.00 0.00 39.33 40.41 1xpq h ASP 334 CO -0.67 -0.24 0.10 1.21 -1.57 0.00 0.00 179.24 178.07 1xpq n GLU 335 N -5.29 0.00 -0.09 3.56 2.13 -0.69 -1.07 120.64 119.20 1xpq n GLU 335 Ca -0.11 0.36 -0.23 0.00 0.66 0.00 0.00 57.16 57.84 1xpq n GLU 335 Cb 0.32 -1.60 -0.12 0.00 0.27 0.00 0.00 31.44 30.32 1xpq n GLU 335 CO 0.00 0.00 0.00 -0.11 -0.41 0.00 0.00 177.13 176.61 1xpq n LEU 336 N -1.35 2.15 -0.13 4.31 7.94 -0.54 -3.29 117.00 126.09 1xpq n LEU 336 Ca 0.00 0.31 -0.10 0.00 -1.11 0.00 0.00 56.01 55.11 1xpq n LEU 336 Cb 0.10 -0.97 -0.02 0.00 0.53 0.00 0.00 43.42 43.06 1xpq n LEU 336 CO 0.00 0.52 0.85 0.44 -1.11 0.00 0.00 177.39 178.09 1xpq h ASP 337 N -0.67 0.57 0.16 1.96 3.32 0.64 -2.62 116.42 119.78 1xpq h ASP 337 Ca -0.45 -0.24 -0.01 0.00 0.02 0.00 0.00 57.03 56.35 1xpq h ASP 337 Cb 1.58 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 40.98 1xpq h ASP 337 CO -0.17 0.67 -0.08 -1.28 -1.72 0.00 0.00 179.24 176.66 1xpq h SER 338 N 0.46 -0.18 -0.54 6.45 0.87 -1.50 -2.69 113.55 116.43 1xpq h SER 338 Ca 0.12 -0.10 0.13 0.00 -1.23 0.00 0.00 61.79 60.71 1xpq h SER 338 Cb 0.32 0.05 -0.03 0.00 -0.44 0.00 0.00 62.40 62.30 1xpq h SER 338 CO 0.00 -0.01 0.38 0.24 -0.53 0.00 0.00 176.83 176.92 1xpq h MET 339 N -0.34 0.12 0.00 2.24 2.86 -1.56 0.31 114.93 118.55 1xpq h MET 339 Ca -0.02 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.61 1xpq h MET 339 Cb 0.27 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 31.90 1xpq h MET 339 CO 0.04 0.08 0.00 1.28 1.06 0.00 0.00 176.91 179.37 1xpq n LEU 340 N -4.42 0.00 -4.57 1.22 4.77 -0.99 -4.31 117.00 108.71 1xpq n LEU 340 Ca 0.10 0.23 -0.38 0.00 -0.03 0.00 0.00 56.01 55.93 1xpq n LEU 340 Cb 0.53 -0.23 -0.03 0.00 -2.33 0.00 0.00 43.42 41.36 1xpq n LEU 340 CO 0.36 -0.14 1.67 -1.61 -1.33 0.00 0.00 177.39 176.33 1xpq s GLU 341 N -2.47 3.45 0.00 3.23 2.02 0.11 -5.11 118.70 119.94 1xpq s GLU 341 Ca 0.13 -1.38 0.00 0.00 0.02 0.00 0.00 54.97 53.75 1xpq s GLU 341 Cb 0.09 -5.38 0.00 0.00 0.10 0.00 0.00 34.13 28.94 1xpq s GLU 341 CO 0.18 -2.65 0.00 0.54 0.02 0.00 0.00 175.26 173.36 1xpq n ARG 342 N 8.60 0.56 0.00 1.61 1.74 -1.26 -5.10 116.66 122.80 1xpq n ARG 342 Ca 0.42 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.50 1xpq n ARG 342 Cb 0.48 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.92 1xpq n ARG 342 CO 0.00 0.00 0.00 2.41 -1.52 0.00 0.00 177.63 178.52 1xpq n THR 349 N 0.00 0.00 -1.46 0.55 -1.04 -1.26 -5.25 114.28 105.82 1xpq n THR 349 Ca 0.00 0.00 0.18 0.00 -2.04 0.00 0.00 64.05 62.19 1xpq n THR 349 Cb 0.00 0.00 -0.09 0.00 -1.82 0.00 0.00 70.33 68.42 1xpq n THR 349 CO 0.00 0.00 0.00 -0.24 -0.64 0.00 0.00 175.07 174.19 1xpq n SER 350 N 0.00 -7.90 -4.92 8.00 2.88 -1.26 -4.94 113.62 105.49 1xpq n SER 350 Ca 0.00 1.42 -0.31 0.00 -1.33 0.00 0.00 58.87 58.65 1xpq n SER 350 Cb 0.00 -4.98 -0.04 0.00 -0.75 0.00 0.00 64.21 58.44 1xpq n SER 350 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 1xpq s VAL 351 N -4.27 5.36 0.00 2.46 1.01 -1.26 -5.02 120.40 118.69 1xpq s VAL 351 Ca 0.00 -0.42 0.00 0.00 0.00 0.00 0.00 61.98 61.56 1xpq s VAL 351 Cb 0.00 -3.63 0.00 0.00 0.00 0.00 0.00 36.38 32.75 1xpq s VAL 351 CO 0.00 0.13 0.00 0.35 0.00 0.00 0.00 175.10 175.58 1xpq n THR 352 N 0.24 0.00 1.15 3.92 -2.24 -1.26 -5.01 114.28 111.08 1xpq n THR 352 Ca -0.05 0.00 0.14 0.00 -2.27 0.00 0.00 64.05 61.87 1xpq n THR 352 Cb 0.51 0.00 0.64 0.00 -2.10 0.00 0.00 70.33 69.39 1xpq n THR 352 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1xpq n TRP 354 N -1.41 0.81 1.07 0.00 7.02 -1.26 -4.44 117.44 119.22 1xpq n TRP 354 Ca 0.09 -0.61 0.13 0.00 -1.02 0.00 0.00 57.50 56.09 1xpq n TRP 354 Cb 0.31 -0.14 0.40 0.00 -2.42 0.00 0.00 31.31 29.46 1xpq n TRP 354 CO 0.00 0.00 0.00 0.43 -2.02 0.00 0.00 177.69 176.10 1xpq n SER 355 N 0.44 0.40 -3.49 -0.99 7.64 -1.13 -1.93 113.62 114.56 1xpq n SER 355 Ca 0.17 -0.14 -0.12 0.00 1.01 0.00 0.00 58.87 59.80 1xpq n SER 355 Cb 0.64 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.82 1xpq n SER 355 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1xpq s GLN 356 N -2.90 1.20 0.58 1.43 0.00 -1.26 -4.89 119.66 113.81 1xpq s GLN 356 Ca 0.15 -0.49 -0.19 0.00 -0.00 0.00 0.00 55.36 54.84 1xpq s GLN 356 Cb 0.18 0.55 -0.04 0.00 0.00 0.00 0.00 33.01 33.70 1xpq s GLN 356 CO 0.61 -0.50 1.15 -1.25 0.00 0.00 0.00 175.29 175.31 1xpq s PRO 357 N -3.57 3.15 -0.04 9.60 0.04 -1.26 -4.38 135.00 138.55 1xpq s PRO 357 Ca 0.01 1.65 0.04 0.00 0.04 0.00 0.00 61.00 62.73 1xpq s PRO 357 Cb -0.00 -1.97 -0.00 0.00 0.04 0.00 0.00 34.50 32.56 1xpq s PRO 357 CO -0.11 -1.02 -0.14 -0.51 0.04 0.00 0.00 177.00 175.26 1xpq s LEU 358 N -4.03 1.86 -0.29 -3.56 1.43 -0.41 -4.86 118.68 108.82 1xpq s LEU 358 Ca 0.74 -0.28 -0.09 0.00 -1.03 0.00 0.00 54.13 53.46 1xpq s LEU 358 Cb -0.25 -0.79 -0.02 0.00 0.03 0.00 0.00 46.19 45.16 1xpq s LEU 358 CO 0.31 0.12 0.13 0.12 0.23 0.00 0.00 176.35 177.25 1xpq s PHE 359 N 0.09 3.15 -0.20 0.29 5.36 -1.13 -1.16 117.98 124.39 1xpq s PHE 359 Ca -0.03 -0.49 -0.03 0.00 -0.96 0.00 0.00 56.93 55.41 1xpq s PHE 359 Cb -0.10 -2.32 -0.01 0.00 -0.34 0.00 0.00 43.02 40.25 1xpq s PHE 359 CO 0.01 -0.41 -0.07 -0.06 -1.46 0.00 0.00 175.22 173.23 1xpq s PHE 360 N 1.62 2.92 -0.41 10.12 0.40 0.24 -0.28 117.98 132.60 1xpq s PHE 360 Ca 0.05 -0.93 -0.18 0.00 -0.60 0.00 0.00 56.93 55.27 1xpq s PHE 360 Cb -0.16 -2.05 0.01 0.00 0.51 0.00 0.00 43.02 41.33 1xpq s PHE 360 CO 0.06 -0.50 0.52 0.08 0.70 0.00 0.00 175.22 176.07 1xpq s VAL 361 N 1.26 4.99 -1.07 -0.44 1.01 0.02 -0.94 120.40 125.23 1xpq s VAL 361 Ca 0.03 -0.02 -0.20 0.00 0.00 0.00 0.00 61.98 61.78 1xpq s VAL 361 Cb -0.14 -4.06 0.08 0.00 0.00 0.00 0.00 36.38 32.26 1xpq s VAL 361 CO -0.03 -0.41 1.43 0.21 0.00 0.00 0.00 175.10 176.30 1xpq s ASN 362 N 1.86 6.65 0.60 3.32 3.04 0.17 -1.24 114.94 129.33 1xpq s ASN 362 Ca 0.17 -1.91 0.31 0.00 0.04 0.00 0.00 52.86 51.47 1xpq s ASN 362 Cb -0.16 -2.52 1.87 0.00 -1.54 0.00 0.00 41.25 38.91 1xpq s ASN 362 CO 0.15 -1.28 2.26 -0.07 -3.04 0.00 0.00 177.10 175.12 1xpq h LEU 363 N 11.95 0.00 -1.11 3.21 3.38 -1.55 -2.92 115.31 128.28 1xpq h LEU 363 Ca 0.25 0.00 0.20 0.00 0.09 0.00 0.00 57.88 58.42 1xpq h LEU 363 Cb 0.97 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 41.62 1xpq h LEU 363 CO 1.35 0.00 0.61 -1.28 0.09 0.00 0.00 178.44 179.21 1xpq h SER 364 N 0.00 0.71 0.00 -0.43 0.87 -1.56 0.14 113.55 113.28 1xpq h SER 364 Ca 0.01 0.09 -0.19 0.00 -1.23 0.00 0.00 61.79 60.46 1xpq h SER 364 Cb 0.03 -0.04 0.02 0.00 -0.44 0.00 0.00 62.40 61.97 1xpq h SER 364 CO -0.00 0.25 -0.74 0.50 -0.53 0.00 0.00 176.83 176.31 1xpq h LYS 365 N 0.69 0.50 0.00 2.24 3.64 -1.84 -2.61 116.57 119.19 1xpq h LYS 365 Ca 0.56 -0.54 -0.06 0.00 -1.27 0.00 0.00 60.65 59.34 1xpq h LYS 365 Cb 0.98 0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 32.95 1xpq h LYS 365 CO -0.35 1.18 -0.42 0.66 -2.27 0.00 0.00 179.45 178.25 1xpq h SER 366 N 0.04 0.00 0.07 4.20 4.64 -1.56 -3.40 113.55 117.54 1xpq h SER 366 Ca -0.09 -0.48 0.00 0.00 -0.47 0.00 0.00 61.79 60.75 1xpq h SER 366 Cb 1.44 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.53 1xpq h SER 366 CO 0.15 0.98 -0.80 0.35 -0.87 0.00 0.00 176.83 176.63 1xpq n THR 367 N -4.60 0.00 -1.14 2.95 -2.24 0.39 -4.97 114.28 104.66 1xpq n THR 367 Ca -0.13 -0.05 -0.04 0.00 -2.27 0.00 0.00 64.05 61.55 1xpq n THR 367 Cb 0.39 0.92 -0.02 0.00 -2.10 0.00 0.00 70.33 69.53 1xpq n THR 367 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1xpq n GLY 368 N 1.48 0.66 3.21 3.38 0.00 -0.70 -4.98 105.19 108.24 1xpq n GLY 368 Ca 0.06 -0.90 -0.34 0.00 0.00 0.00 0.00 46.02 44.84 1xpq n GLY 368 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xpq s VAL 369 N -2.14 2.81 0.00 1.61 1.01 -1.21 -4.88 120.40 117.60 1xpq s VAL 369 Ca 0.00 -0.83 0.00 0.00 0.00 0.00 0.00 61.98 61.15 1xpq s VAL 369 Cb 0.00 -2.32 0.00 0.00 0.00 0.00 0.00 36.38 34.06 1xpq s VAL 369 CO 0.00 0.36 0.59 0.00 0.00 0.00 0.00 175.10 176.05 1xpq n ALA 370 N 4.70 0.73 -2.10 5.51 0.00 -1.26 -2.17 120.51 125.91 1xpq n ALA 370 Ca -0.18 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.18 1xpq n ALA 370 Cb 0.49 -1.75 -0.10 0.00 0.00 0.00 0.00 19.45 18.10 1xpq n ALA 370 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1xpq s SER 371 N 3.25 0.49 -0.04 0.00 0.01 -1.26 -1.70 113.70 114.45 1xpq s SER 371 Ca 0.00 -1.02 0.05 0.00 1.31 0.00 0.00 55.95 56.30 1xpq s SER 371 Cb 0.00 0.20 -0.02 0.00 0.21 0.00 0.00 66.02 66.41 1xpq s SER 371 CO 0.00 -0.61 -0.19 -0.36 0.41 0.00 0.00 173.24 172.50 1xpq s PHE 372 N -3.92 2.57 -0.32 2.43 0.08 -0.44 -1.74 117.98 116.64 1xpq s PHE 372 Ca 0.08 -0.29 -0.05 0.00 0.12 0.00 0.00 56.93 56.79 1xpq s PHE 372 Cb 0.08 -1.59 0.04 0.00 -0.57 0.00 0.00 43.02 40.97 1xpq s PHE 372 CO -0.09 0.08 0.07 1.41 -0.10 0.00 0.00 175.22 176.59 1xpq s MET 373 N -0.63 2.67 -0.05 0.44 -2.45 -0.37 -2.15 119.30 116.76 1xpq s MET 373 Ca 0.10 -1.13 -0.10 0.00 -1.25 0.00 0.00 55.69 53.30 1xpq s MET 373 Cb -0.11 -3.36 -0.05 0.00 1.25 0.00 0.00 34.83 32.57 1xpq s MET 373 CO 0.00 -0.60 0.27 1.41 1.05 0.00 0.00 175.02 177.15 1xpq s MET 374 N 1.38 3.66 -0.15 4.11 1.75 0.12 -0.80 119.30 129.37 1xpq s MET 374 Ca -0.02 0.11 -0.03 0.00 -1.25 0.00 0.00 55.69 54.50 1xpq s MET 374 Cb -0.19 -3.19 -0.03 0.00 2.84 0.00 0.00 34.83 34.27 1xpq s MET 374 CO 0.01 0.73 -0.05 -0.51 -0.65 0.00 0.00 175.02 174.55 1xpq s LEU 375 N -1.14 3.17 0.29 4.11 1.02 0.61 -1.55 118.68 125.17 1xpq s LEU 375 Ca 0.20 -0.16 0.05 0.00 0.02 0.00 0.00 54.13 54.24 1xpq s LEU 375 Cb -0.14 -1.76 -0.06 0.00 0.02 0.00 0.00 46.19 44.25 1xpq s LEU 375 CO 0.09 0.17 -0.00 0.00 0.02 0.00 0.00 176.35 176.63 1xpq s MET 376 N 0.37 1.55 0.33 1.70 0.23 -0.03 -2.83 119.30 120.62 1xpq s MET 376 Ca -0.05 -1.82 0.04 0.00 -1.03 0.00 0.00 55.69 52.83 1xpq s MET 376 Cb -0.14 -0.95 -0.03 0.00 -1.53 0.00 0.00 34.83 32.17 1xpq s MET 376 CO 0.03 -0.07 0.17 1.14 -2.03 0.00 0.00 175.02 174.26 1xpq s GLN 377 N -3.81 1.68 0.43 3.16 0.00 -1.26 -1.37 119.66 118.48 1xpq s GLN 377 Ca 0.32 -1.97 -0.23 0.00 -0.00 0.00 0.00 55.36 53.47 1xpq s GLN 377 Cb 0.06 -0.16 -0.08 0.00 0.00 0.00 0.00 33.01 32.83 1xpq s GLN 377 CO 0.13 -0.47 1.10 0.00 0.00 0.00 0.00 175.29 176.04 1xpq s ALA 378 N -3.50 3.02 -1.69 2.60 0.00 -1.11 -1.08 121.76 119.99 1xpq s ALA 378 Ca 0.34 0.80 0.29 0.00 0.00 0.00 0.00 51.96 53.39 1xpq s ALA 378 Cb 0.04 -3.32 1.27 0.00 0.00 0.00 0.00 23.12 21.12 1xpq s ALA 378 CO 0.18 -0.42 1.89 -0.35 0.00 0.00 0.00 175.76 177.05 1xpq n PRO 379 N -0.33 0.73 0.00 0.00 -0.04 -1.26 -2.04 135.00 132.06 1xpq n PRO 379 Ca 0.06 -0.24 0.06 0.00 -0.04 0.00 0.00 63.50 63.34 1xpq n PRO 379 Cb 0.49 -1.50 0.27 0.00 -0.04 0.00 0.00 33.50 32.73 1xpq n PRO 379 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 1xpq n LEU 380 N -0.93 0.00 -0.05 1.53 -0.00 -0.24 -3.66 117.00 113.65 1xpq n LEU 380 Ca 0.15 0.38 -0.01 0.00 -0.00 0.00 0.00 56.01 56.53 1xpq n LEU 380 Cb 0.27 -0.38 -0.00 0.00 -0.00 0.00 0.00 43.42 43.30 1xpq n LEU 380 CO 0.23 -0.23 -0.11 0.74 -0.00 0.00 0.00 177.39 178.02 1xpq h THR 381 N 0.00 0.00 -0.90 1.96 2.02 -1.42 -2.81 112.91 111.75 1xpq h THR 381 Ca 0.00 -0.86 0.24 0.00 0.77 0.00 0.00 66.41 66.56 1xpq h THR 381 Cb 0.15 0.00 -0.16 0.00 -1.74 0.00 0.00 68.15 66.40 1xpq h THR 381 CO 0.00 0.00 0.09 0.78 0.37 0.00 0.00 175.52 176.76 1xpq h ASN 382 N -0.86 -0.30 0.73 4.18 2.35 -1.86 0.33 115.58 120.14 1xpq h ASN 382 Ca 0.00 0.24 -0.04 0.00 -0.55 0.00 0.00 56.30 55.95 1xpq h ASN 382 Cb 0.16 0.39 0.01 0.00 0.05 0.00 0.00 38.32 38.93 1xpq h ASN 382 CO 0.00 -0.26 -0.35 0.45 -1.65 0.00 0.00 177.43 175.62 1xpq h HIS 383 N 0.08 -0.91 -0.47 1.19 3.86 -1.72 -2.43 115.15 114.76 1xpq h HIS 383 Ca 0.55 -0.02 0.14 0.00 -1.16 0.00 0.00 60.37 59.87 1xpq h HIS 383 Cb 1.11 0.30 -0.02 0.00 1.06 0.00 0.00 27.41 29.86 1xpq h HIS 383 CO -0.41 -0.57 0.46 0.82 0.86 0.00 0.00 177.93 179.10 1xpq h ILE 384 N -1.23 0.42 0.00 2.45 1.08 -1.07 0.29 117.51 119.44 1xpq h ILE 384 Ca -0.10 0.00 -0.17 0.00 -0.39 0.00 0.00 64.86 64.20 1xpq h ILE 384 Cb 0.75 0.64 -0.02 0.00 -3.07 0.00 0.00 36.82 35.12 1xpq h ILE 384 CO 0.16 0.00 -0.82 -0.33 -0.69 0.00 0.00 178.15 176.48 1xpq h GLU 385 N 0.00 0.00 0.00 2.37 5.08 -0.84 -3.11 114.58 118.08 1xpq h GLU 385 Ca 0.22 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.54 1xpq h GLU 385 Cb 1.15 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.39 1xpq h GLU 385 CO -0.00 0.82 -0.22 0.77 -1.00 0.00 0.00 179.01 179.37 1xpq h SER 386 N 0.00 0.00 -0.51 1.42 0.02 0.08 -2.00 113.55 112.57 1xpq h SER 386 Ca -0.01 0.00 -0.27 0.00 -0.84 0.00 0.00 61.79 60.67 1xpq h SER 386 Cb 1.55 0.00 -0.16 0.00 0.14 0.00 0.00 62.40 63.93 1xpq h SER 386 CO 0.11 0.22 0.08 2.30 -1.14 0.00 0.00 176.83 178.40 1xpq n ILE 387 N -3.81 2.72 0.08 3.27 -5.35 -1.14 -4.68 119.36 110.45 1xpq n ILE 387 Ca -0.02 -2.61 0.03 0.00 -0.27 0.00 0.00 62.75 59.89 1xpq n ILE 387 Cb 0.32 -0.37 0.42 0.00 -1.74 0.00 0.00 39.64 38.27 1xpq n ILE 387 CO 0.00 0.00 0.00 0.08 -1.76 0.00 0.00 176.55 174.87 1xpq h ARG 388 N 1.02 0.34 0.00 6.28 0.11 -1.29 -2.04 114.38 118.80 1xpq h ARG 388 Ca 0.32 -0.05 0.00 0.00 0.10 0.00 0.00 59.98 60.35 1xpq h ARG 388 Cb 1.92 -0.06 0.00 0.00 1.11 0.00 0.00 29.97 32.94 1xpq h ARG 388 CO 0.57 0.35 0.00 0.93 0.10 0.00 0.00 179.97 181.91 1xpq h GLU 389 N 0.34 0.00 -5.22 0.08 4.39 -1.83 -3.38 114.58 108.96 1xpq h GLU 389 Ca 0.08 0.00 -0.71 0.00 0.34 0.00 0.00 59.36 59.07 1xpq h GLU 389 Cb 0.18 0.00 -0.14 0.00 -0.10 0.00 0.00 28.75 28.69 1xpq h GLU 389 CO 0.00 0.00 1.63 0.34 -1.16 0.00 0.00 179.01 179.82 1xpq s ASP 390 N -5.67 6.94 0.38 1.42 -1.08 -0.77 -4.81 116.67 113.08 1xpq s ASP 390 Ca 0.05 -2.68 0.26 0.00 -0.52 0.00 0.00 52.55 49.66 1xpq s ASP 390 Cb 0.08 -2.47 1.36 0.00 -1.46 0.00 0.00 42.92 40.42 1xpq s ASP 390 CO 0.59 -0.95 1.79 0.11 0.52 0.00 0.00 175.17 177.24 1xpq h LYS 391 N 7.52 0.00 0.01 4.34 1.79 -1.81 -2.11 116.57 126.31 1xpq h LYS 391 Ca 0.35 0.00 -0.30 0.00 -2.18 0.00 0.00 60.65 58.52 1xpq h LYS 391 Cb 0.89 0.00 -0.05 0.00 -1.58 0.00 0.00 32.23 31.49 1xpq h LYS 391 CO 1.32 0.00 -1.73 0.39 -1.08 0.00 0.00 179.45 178.35 1xpq n GLU 392 N -2.42 0.65 -0.08 3.15 -0.58 -1.26 -3.31 120.64 116.79 1xpq n GLU 392 Ca -0.01 0.30 -0.11 0.00 -0.42 0.00 0.00 57.16 56.92 1xpq n GLU 392 Cb 0.08 -1.79 -0.04 0.00 -0.57 0.00 0.00 31.44 29.11 1xpq n GLU 392 CO 0.00 0.00 0.00 -0.09 -0.48 0.00 0.00 177.13 176.56 1xpq h ARG 393 N 0.01 0.42 -0.18 3.49 2.43 -1.76 -1.87 114.38 116.91 1xpq h ARG 393 Ca -0.30 -0.12 0.05 0.00 -0.81 0.00 0.00 59.98 58.80 1xpq h ARG 393 Cb 2.02 -0.04 -0.06 0.00 -0.42 0.00 0.00 29.97 31.46 1xpq h ARG 393 CO 0.08 0.58 -0.26 -0.07 -1.51 0.00 0.00 179.97 178.79 1xpq h LEU 394 N 0.20 -0.82 -2.54 3.80 3.38 -1.59 0.26 115.31 118.00 1xpq h LEU 394 Ca 0.07 0.14 0.01 0.00 0.09 0.00 0.00 57.88 58.19 1xpq h LEU 394 Cb 0.38 0.37 -0.00 0.00 0.09 0.00 0.00 40.66 41.50 1xpq h LEU 394 CO 0.01 -0.30 0.05 0.15 0.09 0.00 0.00 178.44 178.44 1xpq h PHE 395 N -0.30 0.00 0.05 1.13 3.57 -1.51 -0.58 116.94 119.30 1xpq h PHE 395 Ca 0.12 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.61 1xpq h PHE 395 Cb 0.48 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.22 1xpq h PHE 395 CO -0.38 0.00 -0.03 0.77 -2.23 0.00 0.00 178.31 176.44 1xpq h SER 396 N 0.00 -0.06 -0.66 0.41 0.02 0.31 -2.52 113.55 111.04 1xpq h SER 396 Ca 0.02 -0.55 -0.05 0.00 -0.84 0.00 0.00 61.79 60.37 1xpq h SER 396 Cb 0.11 0.02 -0.03 0.00 0.14 0.00 0.00 62.40 62.64 1xpq h SER 396 CO -0.00 0.55 0.23 0.15 -1.14 0.00 0.00 176.83 176.62 1xpq h PHE 397 N -0.71 1.06 0.00 3.45 3.57 -0.31 -3.21 116.94 120.79 1xpq h PHE 397 Ca -0.01 -0.09 0.00 0.00 3.53 0.00 0.00 57.97 61.40 1xpq h PHE 397 Cb 0.60 -0.31 0.00 0.00 2.79 0.00 0.00 35.95 39.03 1xpq h PHE 397 CO 0.13 0.83 -0.86 1.19 -2.23 0.00 0.00 178.31 177.37 1xpq n PHE 398 N -4.27 0.05 -0.30 0.41 3.01 -0.30 -3.88 117.46 112.18 1xpq n PHE 398 Ca 0.06 0.01 0.08 0.00 1.01 0.00 0.00 57.45 58.61 1xpq n PHE 398 Cb 0.21 -0.18 0.24 0.00 -0.01 0.00 0.00 39.48 39.74 1xpq n PHE 398 CO 0.00 0.00 0.00 0.37 1.01 0.00 0.00 176.76 178.14 1xpq h GLN 399 N 0.00 0.55 -0.06 -1.08 4.15 -1.45 -0.93 115.11 116.29 1xpq h GLN 399 Ca 0.00 -0.03 0.04 0.00 0.77 0.00 0.00 58.65 59.43 1xpq h GLN 399 Cb 0.55 -0.12 -0.06 0.00 0.21 0.00 0.00 27.48 28.06 1xpq h GLN 399 CO 0.00 0.37 -0.34 -1.35 -1.93 0.00 0.00 178.83 175.57 1xpq h PRO 400 N 0.57 -0.44 -0.27 -2.39 0.11 -1.78 -0.29 132.00 127.51 1xpq h PRO 400 Ca 0.48 0.03 -0.14 0.00 0.11 0.00 0.00 66.00 66.48 1xpq h PRO 400 Cb 0.74 0.10 -0.01 0.00 0.11 0.00 0.00 31.00 31.94 1xpq h PRO 400 CO -0.40 -0.30 -0.42 -0.39 -0.21 0.00 0.00 178.00 176.28 1xpq h VAL 401 N -0.46 1.30 -0.83 3.15 -1.51 -1.82 -2.03 116.25 114.05 1xpq h VAL 401 Ca 0.07 -1.61 0.10 0.00 -1.23 0.00 0.00 66.70 64.04 1xpq h VAL 401 Cb 0.57 1.55 -0.06 0.00 -2.13 0.00 0.00 31.29 31.22 1xpq h VAL 401 CO -0.32 0.51 0.54 -0.07 -1.23 0.00 0.00 177.57 177.01 1xpq h LEU 402 N 0.53 0.70 -0.01 4.19 3.38 -0.65 0.29 115.31 123.74 1xpq h LEU 402 Ca 0.04 0.02 -0.26 0.00 0.09 0.00 0.00 57.88 57.77 1xpq h LEU 402 Cb 0.95 -0.12 0.01 0.00 0.09 0.00 0.00 40.66 41.59 1xpq h LEU 402 CO 0.09 0.41 -1.11 0.78 0.09 0.00 0.00 178.44 178.70 1xpq h ASN 403 N 0.77 0.64 -0.48 -0.43 2.35 -0.86 -2.76 115.58 114.82 1xpq h ASN 403 Ca 0.39 -0.57 -0.06 0.00 -0.55 0.00 0.00 56.30 55.50 1xpq h ASN 403 Cb 0.46 -0.20 -0.02 0.00 0.05 0.00 0.00 38.32 38.61 1xpq h ASN 403 CO -0.16 1.39 0.08 0.50 -1.65 0.00 0.00 177.43 177.60 1xpq h LYS 404 N 0.22 0.86 -0.03 0.81 1.63 -0.42 -0.77 116.57 118.88 1xpq h LYS 404 Ca -0.13 -0.20 -0.00 0.00 -0.85 0.00 0.00 60.65 59.47 1xpq h LYS 404 Cb 1.78 -0.11 -0.00 0.00 -0.60 0.00 0.00 32.23 33.29 1xpq h LYS 404 CO 0.20 0.80 0.00 0.82 -3.45 0.00 0.00 179.45 177.83 1xpq h ILE 405 N 0.81 1.21 -0.27 2.00 2.04 -0.54 -2.51 117.51 120.26 1xpq h ILE 405 Ca 0.17 -0.63 0.05 0.00 1.00 0.00 0.00 64.86 65.45 1xpq h ILE 405 Cb 0.37 1.59 -0.05 0.00 -0.74 0.00 0.00 36.82 37.99 1xpq h ILE 405 CO 0.01 0.17 -0.03 0.24 0.00 0.00 0.00 178.15 178.54 1xpq h MET 406 N -0.21 0.04 -0.19 2.37 2.86 -1.17 0.85 114.93 119.48 1xpq h MET 406 Ca 0.01 -0.00 0.02 0.00 -2.06 0.00 0.00 59.70 57.67 1xpq h MET 406 Cb 0.27 -0.01 -0.02 0.00 0.06 0.00 0.00 31.60 31.90 1xpq h MET 406 CO 0.00 0.03 0.05 -0.22 1.06 0.00 0.00 176.91 177.83 1xpq h LYS 407 N 0.04 0.13 -0.21 1.72 3.64 -1.11 0.62 116.57 121.39 1xpq h LYS 407 Ca 0.13 -0.01 -0.06 0.00 -1.27 0.00 0.00 60.65 59.44 1xpq h LYS 407 Cb 0.18 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 31.96 1xpq h LYS 407 CO -0.25 0.08 -0.13 0.00 -2.27 0.00 0.00 179.45 176.89 1xpq n LEU 409 N -4.24 0.43 -0.66 0.00 4.77 0.27 -4.86 117.00 112.71 1xpq n LEU 409 Ca -0.00 -0.22 -0.05 0.00 -0.03 0.00 0.00 56.01 55.71 1xpq n LEU 409 Cb 0.29 -0.09 -0.00 0.00 -2.33 0.00 0.00 43.42 41.29 1xpq n LEU 409 CO 0.39 0.10 -0.06 0.47 -1.33 0.00 0.00 177.39 176.97 1xpq n ASP 410 N -0.28 -2.32 0.00 -1.43 8.00 -0.52 0.04 116.55 120.04 1xpq n ASP 410 Ca 0.02 -0.02 0.00 0.00 0.71 0.00 0.00 54.79 55.50 1xpq n ASP 410 Cb 0.08 -1.61 0.00 0.00 -0.02 0.00 0.00 41.12 39.57 1xpq n ASP 410 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 1xpq n SER 411 N 0.94 1.74 -4.10 -2.24 2.88 0.20 -4.73 113.62 108.31 1xpq n SER 411 Ca -0.06 0.00 -0.09 0.00 -1.33 0.00 0.00 58.87 57.39 1xpq n SER 411 Cb 0.54 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.90 1xpq n SER 411 CO 0.00 0.00 0.00 -1.61 -1.23 0.00 0.00 175.04 172.20 1xpq s GLU 412 N 1.12 0.64 0.05 -1.46 2.02 -1.26 -4.01 118.70 115.80 1xpq s GLU 412 Ca 0.00 -1.12 -0.14 0.00 0.02 0.00 0.00 54.97 53.73 1xpq s GLU 412 Cb 0.00 -0.01 -0.08 0.00 0.10 0.00 0.00 34.13 34.14 1xpq s GLU 412 CO 0.00 -0.05 0.31 -0.25 0.02 0.00 0.00 175.26 175.30 1xpq n ASP 413 N 0.44 -0.32 -4.68 -0.19 9.92 -1.26 -4.26 116.55 116.19 1xpq n ASP 413 Ca -0.16 0.49 -0.42 0.00 -0.53 0.00 0.00 54.79 54.16 1xpq n ASP 413 Cb 0.59 -0.40 -0.03 0.00 -0.64 0.00 0.00 41.12 40.65 1xpq n ASP 413 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 1xpq s VAL 414 N -0.25 4.05 0.16 2.53 1.01 -1.26 -4.43 120.40 122.20 1xpq s VAL 414 Ca 0.32 1.38 -0.26 0.00 0.00 0.00 0.00 61.98 63.42 1xpq s VAL 414 Cb -0.45 -3.89 -0.08 0.00 0.00 0.00 0.00 36.38 31.96 1xpq s VAL 414 CO 0.24 -0.02 0.79 -0.63 0.00 0.00 0.00 175.10 175.47 1xpq s ILE 415 N 2.49 4.38 -1.01 2.22 1.01 0.34 -4.91 121.20 125.72 1xpq s ILE 415 Ca 0.59 1.72 -0.16 0.00 0.00 0.00 0.00 60.65 62.80 1xpq s ILE 415 Cb -0.27 -4.15 0.16 0.00 0.01 0.00 0.00 42.46 38.22 1xpq s ILE 415 CO 0.23 0.51 1.17 -0.62 0.00 0.00 0.00 174.94 176.23 1xpq s ASP 416 N -1.04 6.83 -0.65 3.58 -1.08 -1.26 0.08 116.67 123.13 1xpq s ASP 416 Ca 0.36 -2.52 0.01 0.00 -0.52 0.00 0.00 52.55 49.89 1xpq s ASP 416 Cb -0.23 -2.36 0.39 0.00 -1.46 0.00 0.00 42.92 39.26 1xpq s ASP 416 CO 0.26 -0.85 1.64 0.61 0.52 0.00 0.00 175.17 177.35 1xpq n GLY 417 N 4.70 5.79 0.35 2.66 0.00 0.57 -4.67 105.19 114.59 1xpq n GLY 417 Ca 0.27 -2.58 0.10 0.00 0.00 0.00 0.00 46.02 43.80 1xpq n GLY 417 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1xpq n MET 418 N -0.56 1.47 -3.69 1.61 2.81 -1.15 -4.26 117.12 113.35 1xpq n MET 418 Ca 0.49 -0.70 -0.10 0.00 -1.81 0.00 0.00 57.70 55.57 1xpq n MET 418 Cb 0.47 -1.36 -0.11 0.00 -0.71 0.00 0.00 33.22 31.52 1xpq n MET 418 CO 0.00 0.00 0.00 1.03 1.51 0.00 0.00 175.97 178.51 1xpq s ARG 419 N -1.87 0.36 0.16 0.03 0.52 -1.26 -4.92 118.95 111.96 1xpq s ARG 419 Ca 0.31 0.84 -0.04 0.00 -0.52 0.00 0.00 55.73 56.32 1xpq s ARG 419 Cb 0.16 0.05 -0.03 0.00 0.52 0.00 0.00 34.95 35.65 1xpq s ARG 419 CO 0.25 -0.19 -0.19 -2.30 0.02 0.00 0.00 175.30 172.89 1xpq n PRO 420 N 4.57 0.00 0.00 3.54 -0.02 -1.26 -4.84 135.00 136.99 1xpq n PRO 420 Ca -0.19 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.29 1xpq n PRO 420 Cb 0.54 -0.16 0.00 0.00 -0.02 0.00 0.00 33.50 33.86 1xpq n PRO 420 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 1xpq n ILE 421 N -0.47 0.00 -1.70 4.25 5.41 -1.26 -5.07 119.36 120.51 1xpq n ILE 421 Ca -0.00 0.00 -0.42 0.00 1.00 0.00 0.00 62.75 63.33 1xpq n ILE 421 Cb 0.10 0.00 -0.03 0.00 -0.71 0.00 0.00 39.64 39.00 1xpq n ILE 421 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 176.55 174.94 1xpq s GLU 422 N 0.26 4.14 0.11 0.38 2.02 -1.26 -4.91 118.70 119.43 1xpq s GLU 422 Ca 0.00 2.60 -0.15 0.00 0.02 0.00 0.00 54.97 57.44 1xpq s GLU 422 Cb 0.00 -3.73 -0.06 0.00 0.10 0.00 0.00 34.13 30.44 1xpq s GLU 422 CO 0.00 -0.87 1.48 -0.91 0.02 0.00 0.00 175.26 174.98 1xpq h ASN 423 N 9.09 0.72 0.00 -0.19 2.35 -2.01 -3.48 115.58 122.05 1xpq h ASN 423 Ca -0.47 -0.41 0.00 0.00 -0.55 0.00 0.00 56.30 54.87 1xpq h ASN 423 Cb 1.22 -0.20 0.00 0.00 0.05 0.00 0.00 38.32 39.39 1xpq h ASN 423 CO 0.95 0.97 0.00 -0.38 -1.65 0.00 0.00 177.43 177.31 1xpq n ILE 424 N -4.34 0.00 0.36 2.81 5.41 -1.26 -4.97 119.36 117.37 1xpq n ILE 424 Ca -0.03 0.00 0.04 0.00 1.00 0.00 0.00 62.75 63.76 1xpq n ILE 424 Cb 0.39 -0.20 -0.00 0.00 -0.71 0.00 0.00 39.64 39.12 1xpq n ILE 424 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1xpq n ALA 425 N -0.71 2.73 -1.00 -1.39 0.00 -1.26 -4.87 120.51 114.00 1xpq n ALA 425 Ca 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.04 1xpq n ALA 425 Cb 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 19.45 19.16 1xpq n ALA 425 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1xpq n ASN 426 N -0.30 0.00 0.00 0.00 3.02 -1.26 -4.76 115.26 111.96 1xpq n ASN 426 Ca 0.03 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.58 1xpq n ASN 426 Cb 0.17 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.34 1xpq n ASN 426 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1xpq n ALA 427 N -3.00 0.00 0.00 5.41 0.00 -1.26 -3.71 120.51 117.95 1xpq n ALA 427 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1xpq n ALA 427 Cb 0.00 -0.82 0.00 0.00 0.00 0.00 0.00 19.45 18.63 1xpq n ALA 427 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1xpq n ASN 428 N 0.00 0.00 -4.66 0.00 3.02 -1.26 -5.05 115.26 107.32 1xpq n ASN 428 Ca 0.00 0.00 -0.39 0.00 -0.03 0.00 0.00 54.58 54.16 1xpq n ASN 428 Cb 0.00 0.00 -0.07 0.00 -0.61 0.00 0.00 39.78 39.10 1xpq n ASN 428 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1xpq s LYS 429 N -0.34 4.16 0.24 3.52 1.02 -1.24 -4.55 119.74 122.54 1xpq s LYS 429 Ca 0.00 0.35 -0.31 0.00 0.02 0.00 0.00 55.97 56.02 1xpq s LYS 429 Cb 0.00 -3.57 -0.12 0.00 -0.52 0.00 0.00 37.83 33.62 1xpq s LYS 429 CO 0.00 -0.16 1.67 -0.35 -0.92 0.00 0.00 175.35 175.59 1xpq n PRO 430 N 4.84 2.71 -3.76 -1.68 -0.04 -1.26 -4.84 135.00 130.97 1xpq n PRO 430 Ca -0.05 0.97 -0.37 0.00 -0.04 0.00 0.00 63.50 64.01 1xpq n PRO 430 Cb 0.50 -2.79 -0.12 0.00 -0.04 0.00 0.00 33.50 31.05 1xpq n PRO 430 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1xpq s VAL 431 N 0.74 3.54 0.16 0.52 1.01 -1.26 -0.51 120.40 124.60 1xpq s VAL 431 Ca 0.71 -1.52 -0.30 0.00 0.00 0.00 0.00 61.98 60.87 1xpq s VAL 431 Cb -0.51 -3.17 -0.08 0.00 0.00 0.00 0.00 36.38 32.62 1xpq s VAL 431 CO 0.38 -0.38 1.32 -0.22 0.00 0.00 0.00 175.10 176.20 1xpq s LEU 432 N 1.30 4.40 -0.00 3.92 2.96 0.11 -1.45 118.68 129.91 1xpq s LEU 432 Ca 0.01 2.33 0.04 0.00 -0.22 0.00 0.00 54.13 56.29 1xpq s LEU 432 Cb -0.21 -3.60 -0.05 0.00 0.50 0.00 0.00 46.19 42.83 1xpq s LEU 432 CO -0.00 -0.55 0.09 0.54 -1.32 0.00 0.00 176.35 175.11 1xpq n ARG 433 N 3.17 1.23 -3.64 1.98 5.12 0.75 -0.32 116.66 124.94 1xpq n ARG 433 Ca 0.08 -0.03 -0.06 0.00 -1.93 0.00 0.00 57.85 55.91 1xpq n ARG 433 Cb 0.43 -1.00 -0.07 0.00 -1.16 0.00 0.00 32.46 30.66 1xpq n ARG 433 CO 0.00 0.00 0.00 1.21 -1.93 0.00 0.00 177.63 176.91 1xpq s ASN 434 N -2.20 -0.33 -0.12 0.55 3.04 -1.08 -4.39 114.94 110.41 1xpq s ASN 434 Ca -0.01 0.62 0.02 0.00 0.04 0.00 0.00 52.86 53.53 1xpq s ASN 434 Cb 0.02 0.72 -0.00 0.00 -1.54 0.00 0.00 41.25 40.45 1xpq s ASN 434 CO 0.15 -0.11 -0.19 -0.63 -3.04 0.00 0.00 177.10 173.28 1xpq s ILE 435 N 0.36 2.47 -0.02 -5.21 1.01 -1.25 -0.96 121.20 117.60 1xpq s ILE 435 Ca 0.02 -0.86 0.05 0.00 0.00 0.00 0.00 60.65 59.86 1xpq s ILE 435 Cb -0.05 -2.00 -0.03 0.00 0.01 0.00 0.00 42.46 40.40 1xpq s ILE 435 CO -0.10 0.54 -0.18 -0.63 0.00 0.00 0.00 174.94 174.57 1xpq s ILE 436 N 0.44 2.75 0.15 2.92 1.01 -0.44 -4.90 121.20 123.14 1xpq s ILE 436 Ca -0.14 -0.92 0.07 0.00 0.00 0.00 0.00 60.65 59.66 1xpq s ILE 436 Cb -0.17 -2.07 -0.04 0.00 0.01 0.00 0.00 42.46 40.19 1xpq s ILE 436 CO 0.06 0.53 -0.15 -0.69 0.00 0.00 0.00 174.94 174.69 1xpq s VAL 437 N -0.74 1.55 0.70 2.92 1.01 -1.26 0.91 120.40 125.49 1xpq s VAL 437 Ca 0.12 -1.91 -0.07 0.00 0.00 0.00 0.00 61.98 60.11 1xpq s VAL 437 Cb -0.10 -1.76 0.06 0.00 0.00 0.00 0.00 36.38 34.57 1xpq s VAL 437 CO 0.01 -0.45 1.02 -0.94 0.00 0.00 0.00 175.10 174.74 1xpq s SER 438 N -2.76 4.88 0.00 3.32 1.04 -0.90 -4.99 113.70 114.28 1xpq s SER 438 Ca 0.15 0.53 0.00 0.00 0.48 0.00 0.00 55.95 57.11 1xpq s SER 438 Cb -0.04 -1.21 0.00 0.00 0.10 0.00 0.00 66.02 64.88 1xpq s SER 438 CO 0.05 -1.56 0.20 -3.20 0.98 0.00 0.00 173.24 169.70 1xpq n ASN 439 N -2.93 0.09 -0.33 7.02 4.05 -1.26 -4.74 115.26 117.17 1xpq n ASN 439 Ca 0.08 -1.02 0.26 0.00 0.45 0.00 0.00 54.58 54.34 1xpq n ASN 439 Cb 0.60 0.00 0.50 0.00 1.23 0.00 0.00 39.78 42.11 1xpq n ASN 439 CO 0.00 0.00 0.00 -0.50 -3.05 0.00 0.00 177.26 173.71 1xpq h TRP 440 N 0.00 0.86 0.00 1.20 4.06 -1.90 0.48 115.95 120.64 1xpq h TRP 440 Ca 0.00 0.04 -0.07 0.00 2.06 0.00 0.00 58.89 60.91 1xpq h TRP 440 Cb 0.63 -0.21 -0.01 0.00 -1.00 0.00 0.00 29.16 28.57 1xpq h TRP 440 CO 0.00 -0.27 -0.36 1.79 -3.56 0.00 0.00 178.44 176.04 1xpq h THR 441 N 0.22 0.89 0.08 1.49 1.35 -1.90 -1.37 112.91 113.68 1xpq h THR 441 Ca 0.76 -1.43 -0.34 0.00 -0.55 0.00 0.00 66.41 64.85 1xpq h THR 441 Cb 1.81 1.86 -0.03 0.00 -1.73 0.00 0.00 68.15 70.06 1xpq h THR 441 CO -0.66 0.35 -1.93 0.54 -0.25 0.00 0.00 175.52 173.57 1xpq n ARG 442 N -3.59 0.72 -1.61 4.72 1.74 0.11 -4.49 116.66 114.27 1xpq n ARG 442 Ca -0.00 0.27 -0.44 0.00 -0.77 0.00 0.00 57.85 56.90 1xpq n ARG 442 Cb 0.48 -1.73 -0.04 0.00 -1.02 0.00 0.00 32.46 30.16 1xpq n ARG 442 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 1xpq n ASP 443 N -3.34 3.40 0.33 0.55 2.03 0.13 -4.82 116.55 114.83 1xpq n ASP 443 Ca -0.28 0.49 0.19 0.00 0.52 0.00 0.00 54.79 55.71 1xpq n ASP 443 Cb 1.05 -1.50 1.02 0.00 -0.72 0.00 0.00 41.12 40.98 1xpq n ASP 443 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 1xpq h PRO 444 N 13.00 0.00 -0.01 -0.67 0.13 -1.88 0.39 132.00 142.96 1xpq h PRO 444 Ca -0.43 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 1xpq h PRO 444 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 1xpq h PRO 444 CO 0.96 0.00 -0.16 0.66 -0.23 0.00 0.00 178.00 179.23 1xpq n TYR 445 N -3.02 0.00 0.05 1.56 0.53 -1.26 -4.42 117.16 110.60 1xpq n TYR 445 Ca -0.02 0.00 0.00 0.00 -1.02 0.00 0.00 57.90 56.86 1xpq n TYR 445 Cb 0.22 -0.07 0.00 0.00 -1.03 0.00 0.00 39.34 38.47 1xpq n TYR 445 CO 0.00 0.00 0.00 -1.13 -1.02 0.00 0.00 176.86 174.71 1xpq n SER 446 N -0.26 0.77 -3.18 7.72 3.41 -0.53 -4.68 113.62 116.88 1xpq n SER 446 Ca 0.15 0.16 -0.21 0.00 -0.26 0.00 0.00 58.87 58.70 1xpq n SER 446 Cb 0.36 -0.19 0.07 0.00 -0.26 0.00 0.00 64.21 64.18 1xpq n SER 446 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1xpq n ARG 447 N -3.40 -6.76 0.00 4.33 1.74 0.01 -4.52 116.66 108.07 1xpq n ARG 447 Ca 0.00 0.74 0.00 0.00 -0.77 0.00 0.00 57.85 57.82 1xpq n ARG 447 Cb 0.08 -5.49 0.00 0.00 -1.02 0.00 0.00 32.46 26.03 1xpq n ARG 447 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1xpq n GLY 448 N -1.80 -0.49 0.00 -0.13 0.00 -0.73 -4.87 105.19 97.18 1xpq n GLY 448 Ca -0.00 0.20 0.00 0.00 0.00 0.00 0.00 46.02 46.21 1xpq n GLY 448 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xpq n ALA 449 N 0.00 0.00 -2.77 4.61 0.00 -0.18 -4.08 120.51 118.09 1xpq n ALA 449 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.33 1xpq n ALA 449 Cb 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.38 1xpq n ALA 449 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.50 179.02 1xpq s TYR 450 N 0.00 0.72 0.16 0.00 -0.85 -1.25 -4.91 117.35 111.22 1xpq s TYR 450 Ca 0.00 -1.02 -0.31 0.00 -0.52 0.00 0.00 57.07 55.22 1xpq s TYR 450 Cb 0.00 -0.13 -0.11 0.00 0.38 0.00 0.00 41.96 42.10 1xpq s TYR 450 CO 0.00 -0.86 1.79 0.45 -1.52 0.00 0.00 175.55 175.41 1xpq s SER 451 N -3.09 6.40 0.04 -0.18 0.15 -1.26 0.72 113.70 116.49 1xpq s SER 451 Ca 0.30 2.82 -0.07 0.00 0.70 0.00 0.00 55.95 59.69 1xpq s SER 451 Cb 0.02 -2.58 -0.01 0.00 -1.71 0.00 0.00 66.02 61.75 1xpq s SER 451 CO 0.11 -1.00 0.14 0.00 1.20 0.00 0.00 173.24 173.69 1xpq s ALA 452 N 2.07 -0.17 0.12 5.45 0.00 -1.26 -4.74 121.76 123.23 1xpq s ALA 452 Ca 0.79 -0.48 0.10 0.00 0.00 0.00 0.00 51.96 52.37 1xpq s ALA 452 Cb -0.48 0.29 -0.04 0.00 0.00 0.00 0.00 23.12 22.89 1xpq s ALA 452 CO 0.35 -0.36 -0.25 0.00 0.00 0.00 0.00 175.76 175.49 1xpq s PHE 454 N -1.11 1.45 -1.20 0.00 2.99 -1.26 -2.54 117.98 116.31 1xpq s PHE 454 Ca 0.12 -0.52 -0.20 0.00 0.00 0.00 0.00 56.93 56.34 1xpq s PHE 454 Cb -0.10 -2.60 0.07 0.00 0.00 0.00 0.00 43.02 40.39 1xpq s PHE 454 CO 0.06 -1.45 1.63 -1.25 -0.00 0.00 0.00 175.22 174.20 1xpq s PRO 455 N -4.91 3.85 0.00 0.24 0.04 -1.26 -4.40 135.00 128.56 1xpq s PRO 455 Ca 0.64 -1.72 0.00 0.00 0.04 0.00 0.00 61.00 59.96 1xpq s PRO 455 Cb -0.05 -5.46 0.00 0.00 0.04 0.00 0.00 34.50 29.03 1xpq s PRO 455 CO 0.42 -2.22 0.00 0.28 0.04 0.00 0.00 177.00 175.51 1xpq n VAL 460 N 6.50 0.00 0.16 -0.36 0.31 -1.26 -4.97 118.33 118.71 1xpq n VAL 460 Ca 0.43 0.00 0.03 0.00 -0.01 0.00 0.00 64.34 64.79 1xpq n VAL 460 Cb 0.48 0.00 0.22 0.00 -0.91 0.00 0.00 33.84 33.63 1xpq n VAL 460 CO 0.00 0.00 0.00 0.44 -1.32 0.00 0.00 176.83 175.95 1xpq h ASP 461 N 0.00 0.00 0.06 4.52 3.32 -1.94 -3.23 116.42 119.14 1xpq h ASP 461 Ca 0.00 0.00 0.01 0.00 0.02 0.00 0.00 57.03 57.06 1xpq h ASP 461 Cb 0.00 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.53 1xpq h ASP 461 CO 0.00 0.49 -0.11 -0.03 -1.72 0.00 0.00 179.24 177.86 1xpq h MET 462 N 0.00 -0.21 -0.15 3.56 4.05 -1.92 0.50 114.93 120.76 1xpq h MET 462 Ca -0.00 0.01 0.04 0.00 -0.28 0.00 0.00 59.70 59.47 1xpq h MET 462 Cb 1.08 0.05 -0.07 0.00 -0.80 0.00 0.00 31.60 31.87 1xpq h MET 462 CO 0.06 -0.14 -0.43 0.28 0.23 0.00 0.00 176.91 176.91 1xpq h VAL 463 N -0.22 0.14 -0.33 -5.77 2.07 -1.71 0.50 116.25 110.93 1xpq h VAL 463 Ca 0.02 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.62 1xpq h VAL 463 Cb 0.24 0.14 -0.08 0.00 -1.52 0.00 0.00 31.29 30.07 1xpq h VAL 463 CO -0.07 0.00 -0.22 0.58 0.02 0.00 0.00 177.57 177.87 1xpq h VAL 464 N -0.48 0.39 0.44 2.57 2.07 -1.53 0.44 116.25 120.15 1xpq h VAL 464 Ca 0.08 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.59 1xpq h VAL 464 Cb 0.63 0.39 -0.01 0.00 -1.52 0.00 0.00 31.29 30.78 1xpq h VAL 464 CO -0.41 0.00 -0.32 0.00 0.02 0.00 0.00 177.57 176.86 1xpq h ALA 465 N 0.97 -0.76 -0.40 1.67 0.00 0.90 -3.10 119.26 118.54 1xpq h ALA 465 Ca 0.17 -0.14 0.01 0.00 0.00 0.00 0.00 54.91 54.95 1xpq h ALA 465 Cb 0.45 0.42 -0.02 0.00 0.00 0.00 0.00 17.79 18.64 1xpq h ALA 465 CO -0.44 -0.95 0.26 0.52 0.00 0.00 0.00 179.25 178.64 1xpq h MET 466 N -0.75 0.52 -0.67 0.00 2.86 0.40 -3.06 114.93 114.23 1xpq h MET 466 Ca -0.04 -0.03 0.14 0.00 -2.06 0.00 0.00 59.70 57.71 1xpq h MET 466 Cb 0.64 -0.12 -0.12 0.00 0.06 0.00 0.00 31.60 32.06 1xpq h MET 466 CO 0.01 0.35 -0.02 0.77 1.06 0.00 0.00 176.91 179.08 1xpq h SER 467 N 0.54 -0.34 -0.28 1.22 0.02 -0.06 -1.10 113.55 113.55 1xpq h SER 467 Ca 0.15 0.17 0.00 0.00 -0.84 0.00 0.00 61.79 61.27 1xpq h SER 467 Cb -0.05 0.31 0.00 0.00 0.14 0.00 0.00 62.40 62.80 1xpq h SER 467 CO -0.04 -0.15 0.00 0.59 -1.14 0.00 0.00 176.83 176.09 1xpq n ASN 468 N -5.32 1.95 -1.39 3.07 3.02 -1.18 -4.87 115.26 110.54 1xpq n ASN 468 Ca 0.11 -1.85 0.17 0.00 -0.03 0.00 0.00 54.58 52.98 1xpq n ASN 468 Cb 0.40 -0.18 -0.06 0.00 -0.61 0.00 0.00 39.78 39.32 1xpq n ASN 468 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1xpq n GLY 469 N 1.15 -2.41 0.51 7.41 0.00 -0.42 -4.65 105.19 106.78 1xpq n GLY 469 Ca 0.15 -1.00 -0.19 0.00 0.00 0.00 0.00 46.02 44.98 1xpq n GLY 469 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 1xpq h GLN 470 N -1.38 -1.11 0.00 1.61 5.75 -1.50 -3.47 115.11 115.01 1xpq h GLN 470 Ca -0.08 0.08 0.00 0.00 -0.15 0.00 0.00 58.65 58.50 1xpq h GLN 470 Cb 1.35 0.25 0.00 0.00 1.07 0.00 0.00 27.48 30.16 1xpq h GLN 470 CO 0.04 -0.74 0.00 -0.40 -2.65 0.00 0.00 178.83 175.08 1xpq n ASP 471 N -5.61 0.00 -1.02 -0.69 5.68 -1.24 -4.89 116.55 108.78 1xpq n ASP 471 Ca -0.14 0.00 0.12 0.00 -0.50 0.00 0.00 54.79 54.27 1xpq n ASP 471 Cb 0.49 0.00 0.21 0.00 -1.14 0.00 0.00 41.12 40.68 1xpq n ASP 471 CO 0.00 0.00 0.00 -1.54 -1.33 0.00 0.00 177.20 174.33 1xpq n SER 472 N 0.00 3.11 -0.03 -1.12 3.41 -1.26 -4.27 113.62 113.46 1xpq n SER 472 Ca 0.00 -1.96 -0.04 0.00 -0.26 0.00 0.00 58.87 56.61 1xpq n SER 472 Cb 0.00 -0.15 -0.04 0.00 -0.26 0.00 0.00 64.21 63.76 1xpq n SER 472 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1xpq n ARG 473 N 1.31 1.43 -3.02 4.33 5.12 -1.26 -4.92 116.66 119.65 1xpq n ARG 473 Ca 0.17 0.02 -0.44 0.00 -1.93 0.00 0.00 57.85 55.68 1xpq n ARG 473 Cb 0.57 -1.15 -0.04 0.00 -1.16 0.00 0.00 32.46 30.68 1xpq n ARG 473 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 1xpq s ILE 474 N -2.15 4.67 0.51 0.55 -1.09 -1.26 -1.60 121.20 120.82 1xpq s ILE 474 Ca -0.07 -0.86 0.08 0.00 -2.23 0.00 0.00 60.65 57.58 1xpq s ILE 474 Cb 0.02 -4.57 0.04 0.00 -1.58 0.00 0.00 42.46 36.37 1xpq s ILE 474 CO 0.21 -1.26 0.61 -0.13 -1.23 0.00 0.00 174.94 173.14 1xpq s ARG 475 N 3.08 2.47 -0.00 2.79 1.81 0.87 -1.33 118.95 128.64 1xpq s ARG 475 Ca 0.16 -1.58 -0.03 0.00 -1.72 0.00 0.00 55.73 52.56 1xpq s ARG 475 Cb -0.20 -2.55 -0.00 0.00 -0.45 0.00 0.00 34.95 31.74 1xpq s ARG 475 CO 0.06 -0.57 0.05 -0.06 -0.68 0.00 0.00 175.30 174.10 1xpq s PHE 476 N -2.57 0.08 0.10 -0.53 0.40 -1.26 -1.86 117.98 112.34 1xpq s PHE 476 Ca 0.54 -0.16 -0.03 0.00 -0.60 0.00 0.00 56.93 56.68 1xpq s PHE 476 Cb -0.06 -0.07 -0.03 0.00 0.51 0.00 0.00 43.02 43.37 1xpq s PHE 476 CO 0.33 -0.15 0.07 0.00 0.70 0.00 0.00 175.22 176.17 1xpq s ALA 477 N -0.83 0.51 0.00 5.36 0.00 -0.88 -4.81 121.76 121.11 1xpq s ALA 477 Ca -0.09 -1.22 0.00 0.00 0.00 0.00 0.00 51.96 50.65 1xpq s ALA 477 Cb -0.06 0.63 0.00 0.00 0.00 0.00 0.00 23.12 23.70 1xpq s ALA 477 CO 0.00 -0.47 0.00 0.41 0.00 0.00 0.00 175.76 175.70 1xpq n GLY 478 N -0.04 3.75 0.00 0.00 0.00 -1.26 -4.18 105.19 103.46 1xpq n GLY 478 Ca -0.10 -1.51 0.07 0.00 0.00 0.00 0.00 46.02 44.49 1xpq n GLY 478 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1xpq n GLU 479 N -1.86 0.08 -0.27 1.61 -0.00 -1.26 -1.83 120.64 117.11 1xpq n GLU 479 Ca 0.00 0.21 0.12 0.00 -0.00 0.00 0.00 57.16 57.49 1xpq n GLU 479 Cb 0.00 -1.50 0.26 0.00 -0.00 0.00 0.00 31.44 30.20 1xpq n GLU 479 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.13 174.74 1xpq n HIS 480 N -1.42 0.70 -0.74 -1.84 1.44 -1.26 0.57 115.22 112.67 1xpq n HIS 480 Ca 0.05 -0.35 0.08 0.00 -2.01 0.00 0.00 57.72 55.48 1xpq n HIS 480 Cb 0.15 0.00 0.22 0.00 0.12 0.00 0.00 29.99 30.48 1xpq n HIS 480 CO 0.00 0.00 0.00 0.25 -2.81 0.00 0.00 176.34 173.78 1xpq n THR 481 N 1.58 1.87 -3.64 0.61 -2.24 -0.76 -4.12 114.28 107.57 1xpq n THR 481 Ca 0.22 -1.63 -0.15 0.00 -2.27 0.00 0.00 64.05 60.22 1xpq n THR 481 Cb 0.62 -0.02 -0.08 0.00 -2.10 0.00 0.00 70.33 68.75 1xpq n THR 481 CO 0.00 0.00 0.00 -0.51 -0.57 0.00 0.00 175.07 173.99 1xpq s ILE 482 N -2.27 0.02 0.00 2.28 2.07 -1.26 -4.29 121.20 117.75 1xpq s ILE 482 Ca 0.35 -0.15 0.00 0.00 -1.41 0.00 0.00 60.65 59.45 1xpq s ILE 482 Cb 0.27 -0.81 0.00 0.00 0.13 0.00 0.00 42.46 42.04 1xpq s ILE 482 CO 0.10 -0.08 0.50 0.80 -1.91 0.00 0.00 174.94 174.35 1xpq n MET 483 N 1.58 0.00 -1.66 3.50 0.00 -1.26 -3.52 117.12 115.76 1xpq n MET 483 Ca -0.18 0.50 -0.47 0.00 -0.00 0.00 0.00 57.70 57.55 1xpq n MET 483 Cb 0.56 -1.25 -0.04 0.00 0.00 0.00 0.00 33.22 32.49 1xpq n MET 483 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 175.97 172.50 1xpq n ASP 484 N -2.00 2.94 -0.53 6.12 4.64 -1.26 -0.47 116.55 125.99 1xpq n ASP 484 Ca 0.00 1.08 -0.07 0.00 -1.38 0.00 0.00 54.79 54.42 1xpq n ASP 484 Cb 0.00 -1.39 -0.03 0.00 -1.04 0.00 0.00 41.12 38.66 1xpq n ASP 484 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 1xpq n GLY 485 N 3.42 0.83 3.40 0.27 0.00 -1.26 -4.63 105.19 107.21 1xpq n GLY 485 Ca 0.18 -0.22 -0.45 0.00 0.00 0.00 0.00 46.02 45.52 1xpq n GLY 485 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xpq n ALA 486 N 1.13 -2.47 0.00 4.61 0.00 0.38 0.66 120.51 124.82 1xpq n ALA 486 Ca -0.07 0.31 0.00 0.00 0.00 0.00 0.00 53.44 53.68 1xpq n ALA 486 Cb 0.37 -1.63 0.00 0.00 0.00 0.00 0.00 19.45 18.19 1xpq n ALA 486 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xpq n GLY 487 N 1.99 0.98 3.89 0.00 0.00 0.19 -4.94 105.19 107.32 1xpq n GLY 487 Ca 0.14 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.87 1xpq n GLY 487 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xpq h ALA 489 N 1.73 1.07 0.00 0.00 0.00 -1.91 0.98 119.26 121.12 1xpq h ALA 489 Ca -0.47 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.47 1xpq h ALA 489 Cb 1.19 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.88 1xpq h ALA 489 CO 0.66 0.04 0.00 2.48 0.00 0.00 0.00 179.25 182.43 1xpq n TYR 490 N -4.79 0.50 -0.06 0.00 0.18 -1.26 -1.40 117.16 110.32 1xpq n TYR 490 Ca 0.12 0.19 -0.11 0.00 1.88 0.00 0.00 57.90 59.99 1xpq n TYR 490 Cb 0.26 -0.81 -0.10 0.00 -0.38 0.00 0.00 39.34 38.31 1xpq n TYR 490 CO 0.00 0.00 0.00 0.78 -2.08 0.00 0.00 176.86 175.56 1xpq h GLY 491 N 2.42 -0.00 0.38 -7.48 0.00 -0.92 -2.55 103.07 94.92 1xpq h GLY 491 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 47.33 47.38 1xpq h GLY 491 CO 0.00 -0.00 -0.16 0.00 0.00 0.00 0.00 176.54 176.38 1xpq h ALA 492 N -0.24 -0.04 -0.68 3.60 0.00 -1.18 0.34 119.26 121.05 1xpq h ALA 492 Ca -0.00 0.07 0.13 0.00 0.00 0.00 0.00 54.91 55.11 1xpq h ALA 492 Cb 0.74 0.34 -0.13 0.00 0.00 0.00 0.00 17.79 18.75 1xpq h ALA 492 CO 0.00 -0.60 -0.24 2.35 0.00 0.00 0.00 179.25 180.77 1xpq h TRP 493 N -0.18 -0.58 -0.37 0.00 7.01 -1.33 0.27 115.95 120.77 1xpq h TRP 493 Ca 0.11 0.07 -0.11 0.00 2.11 0.00 0.00 58.89 61.07 1xpq h TRP 493 Cb 0.34 0.36 -0.01 0.00 -2.10 0.00 0.00 29.16 27.75 1xpq h TRP 493 CO -0.30 -0.34 -0.23 1.49 -2.79 0.00 0.00 178.44 176.28 1xpq h GLU 494 N -0.06 0.73 -0.25 2.65 4.57 -0.69 -2.24 114.58 119.29 1xpq h GLU 494 Ca 0.31 -0.29 0.04 0.00 -1.18 0.00 0.00 59.36 58.23 1xpq h GLU 494 Cb 0.54 -0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 29.08 1xpq h GLU 494 CO -0.72 0.89 0.17 0.66 -1.18 0.00 0.00 179.01 178.83 1xpq h SER 495 N 0.64 0.16 0.31 1.04 4.64 0.29 -0.84 113.55 119.79 1xpq h SER 495 Ca 0.09 -0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.39 1xpq h SER 495 Cb 0.72 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 62.78 1xpq h SER 495 CO 0.06 0.11 -0.15 1.23 -0.87 0.00 0.00 176.83 177.21 1xpq h GLY 496 N 0.19 -0.44 0.25 -0.77 0.00 -0.33 -2.20 103.07 99.76 1xpq h GLY 496 Ca 0.11 0.16 0.12 0.00 0.00 0.00 0.00 47.33 47.72 1xpq h GLY 496 CO -0.02 -0.16 0.76 -0.09 0.00 0.00 0.00 176.54 177.03 1xpq h ARG 497 N -0.84 0.00 0.18 4.80 2.43 -1.16 -0.59 114.38 119.20 1xpq h ARG 497 Ca -0.04 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.12 1xpq h ARG 497 Cb 0.32 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.87 1xpq h ARG 497 CO 0.07 0.00 -0.09 -0.09 -1.51 0.00 0.00 179.97 178.35 1xpq h ARG 498 N 0.00 -0.24 -0.30 0.20 2.43 -0.99 -1.63 114.38 113.85 1xpq h ARG 498 Ca 0.20 0.02 0.03 0.00 -0.81 0.00 0.00 59.98 59.41 1xpq h ARG 498 Cb 1.72 0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 31.31 1xpq h ARG 498 CO -0.00 -0.16 0.20 0.93 -1.51 0.00 0.00 179.97 179.43 1xpq h GLU 499 N -0.61 0.27 -0.06 0.20 4.39 -0.56 -2.45 114.58 115.76 1xpq h GLU 499 Ca -0.03 -0.02 -0.14 0.00 0.34 0.00 0.00 59.36 59.52 1xpq h GLU 499 Cb 0.19 -0.06 0.01 0.00 -0.10 0.00 0.00 28.75 28.79 1xpq h GLU 499 CO 0.04 0.18 -0.52 0.00 -1.16 0.00 0.00 179.01 177.55 1xpq h ALA 500 N 1.83 0.14 -0.59 3.43 0.00 -1.28 -2.76 119.26 120.03 1xpq h ALA 500 Ca 0.12 -0.52 0.05 0.00 0.00 0.00 0.00 54.91 54.56 1xpq h ALA 500 Cb 0.15 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 17.90 1xpq h ALA 500 CO -0.03 0.35 0.33 1.15 0.00 0.00 0.00 179.25 181.05 1xpq h THR 501 N -0.00 0.98 0.51 0.00 2.02 -0.85 0.18 112.91 115.76 1xpq h THR 501 Ca -0.05 -0.21 -0.02 0.00 0.77 0.00 0.00 66.41 66.90 1xpq h THR 501 Cb 1.19 0.31 -0.01 0.00 -1.74 0.00 0.00 68.15 67.89 1xpq h THR 501 CO 0.10 0.11 -0.36 -0.09 0.37 0.00 0.00 175.52 175.66 1xpq h ARG 502 N 0.62 -0.81 -0.53 6.66 2.43 -1.49 -2.07 114.38 119.20 1xpq h ARG 502 Ca 0.26 0.05 0.07 0.00 -0.81 0.00 0.00 59.98 59.56 1xpq h ARG 502 Cb 0.13 0.18 -0.03 0.00 -0.42 0.00 0.00 29.97 29.83 1xpq h ARG 502 CO -0.16 -0.54 0.36 0.82 -1.51 0.00 0.00 179.97 178.94 1xpq h ILE 503 N -0.84 0.95 0.74 1.20 2.04 -1.16 -1.74 117.51 118.70 1xpq h ILE 503 Ca -0.06 -0.15 -0.04 0.00 1.00 0.00 0.00 64.86 65.62 1xpq h ILE 503 Cb 0.70 0.49 0.01 0.00 -0.74 0.00 0.00 36.82 37.28 1xpq h ILE 503 CO 0.03 0.08 -0.35 0.28 0.00 0.00 0.00 178.15 178.18 1xpq h SER 504 N 0.42 -0.84 -0.77 1.72 0.02 -0.28 0.03 113.55 113.86 1xpq h SER 504 Ca 0.24 0.03 0.22 0.00 -0.84 0.00 0.00 61.79 61.44 1xpq h SER 504 Cb 0.38 0.22 -0.03 0.00 0.14 0.00 0.00 62.40 63.11 1xpq h SER 504 CO -0.06 -0.50 0.70 0.44 -1.14 0.00 0.00 176.83 176.26 1xpq h ASP 505 N -1.18 0.00 0.06 3.07 3.32 -0.99 1.56 116.42 122.25 1xpq h ASP 505 Ca -0.10 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 56.95 1xpq h ASP 505 Cb 0.76 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.31 1xpq h ASP 505 CO 0.17 0.00 -0.03 -0.07 -1.72 0.00 0.00 179.24 177.59 1xpq h LEU 506 N 0.00 -0.06 -0.36 1.55 3.38 -0.99 -3.35 115.31 115.48 1xpq h LEU 506 Ca 0.37 -0.48 -0.11 0.00 0.09 0.00 0.00 57.88 57.74 1xpq h LEU 506 Cb 1.75 0.02 -0.01 0.00 0.09 0.00 0.00 40.66 42.51 1xpq h LEU 506 CO -0.00 0.64 -0.22 -0.07 0.09 0.00 0.00 178.44 178.87 1xpq h LEU 507 N -0.95 0.81 -7.05 1.67 3.38 0.39 -3.37 115.31 110.19 1xpq h LEU 507 Ca -0.01 -0.43 -0.53 0.00 0.09 0.00 0.00 57.88 57.01 1xpq h LEU 507 Cb 0.54 -0.23 0.13 0.00 0.09 0.00 0.00 40.66 41.20 1xpq h LEU 507 CO 0.01 1.06 1.29 1.17 0.09 0.00 0.00 178.44 182.07 1xpq n LYS 508 N -4.25 0.00 0.00 1.13 4.81 0.52 -5.09 118.16 115.28 1xpq n LYS 508 Ca -0.02 -0.91 0.13 0.00 -0.87 0.00 0.00 58.31 56.64 1xpq n LYS 508 Cb 0.44 -2.37 0.32 0.00 0.02 0.00 0.00 35.03 33.44 1xpq n LYS 508 CO 0.00 0.00 0.00 -0.11 1.17 0.00 0.00 177.40 178.46