#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1h0h s LYS 2 N 0.00 2.97 0.34 4.33 -0.14 -0.23 -0.89 119.74 126.12 1h0h s LYS 2 Ca 0.00 -1.12 -0.13 0.00 -1.36 0.00 0.00 55.97 53.35 1h0h s LYS 2 Cb 0.00 -2.71 0.03 0.00 -1.68 0.00 0.00 37.83 33.47 1h0h s LYS 2 CO 0.00 0.04 0.67 0.20 -0.76 0.00 0.00 175.35 175.50 1h0h s GLY 3 N -4.13 0.55 0.03 -3.33 0.00 0.54 -4.26 107.32 96.73 1h0h s GLY 3 Ca 0.45 -0.85 0.02 0.00 0.00 0.00 0.00 44.72 44.33 1h0h s GLY 3 CO 0.30 -0.46 -0.07 -1.36 0.00 0.00 0.00 173.10 171.50 1h0h s PHE 4 N -3.00 0.64 -0.17 1.90 0.40 0.06 -1.67 117.98 116.14 1h0h s PHE 4 Ca 0.19 -0.43 0.01 0.00 -0.60 0.00 0.00 56.93 56.09 1h0h s PHE 4 Cb -0.04 -0.39 0.02 0.00 0.51 0.00 0.00 43.02 43.13 1h0h s PHE 4 CO 0.12 -0.07 -0.17 0.12 0.70 0.00 0.00 175.22 175.92 1h0h s PHE 5 N -1.17 2.52 -0.35 0.36 5.36 -0.57 -1.39 117.98 122.73 1h0h s PHE 5 Ca -0.08 -1.49 -0.08 0.00 -0.96 0.00 0.00 56.93 54.32 1h0h s PHE 5 Cb -0.09 -1.77 0.03 0.00 -0.34 0.00 0.00 43.02 40.86 1h0h s PHE 5 CO 0.00 -0.75 0.14 0.08 -1.46 0.00 0.00 175.22 173.23 1h0h s VAL 6 N 1.37 4.03 -0.74 3.12 1.01 0.30 -1.65 120.40 127.85 1h0h s VAL 6 Ca 0.04 -1.03 -0.17 0.00 0.00 0.00 0.00 61.98 60.82 1h0h s VAL 6 Cb -0.13 -3.27 0.15 0.00 0.00 0.00 0.00 36.38 33.13 1h0h s VAL 6 CO -0.12 -0.19 0.81 -0.62 0.00 0.00 0.00 175.10 174.98 1h0h s ASP 7 N 1.45 6.46 0.63 3.32 -1.08 0.50 -1.11 116.67 126.85 1h0h s ASP 7 Ca -0.00 -1.99 0.42 0.00 -0.52 0.00 0.00 52.55 50.46 1h0h s ASP 7 Cb -0.19 -2.29 2.23 0.00 -1.46 0.00 0.00 42.92 41.21 1h0h s ASP 7 CO 0.04 -0.92 2.28 0.71 0.52 0.00 0.00 175.17 177.80 1h0h h THR 8 N 5.55 0.00 0.00 1.71 1.35 -1.80 -1.51 112.91 118.21 1h0h h THR 8 Ca -0.07 -0.06 0.00 0.00 -0.55 0.00 0.00 66.41 65.73 1h0h h THR 8 Cb 1.06 1.03 0.00 0.00 -1.73 0.00 0.00 68.15 68.51 1h0h h THR 8 CO 0.99 0.00 0.00 0.35 -0.25 0.00 0.00 175.52 176.61 1h0h n THR 9 N -3.02 0.84 0.76 6.82 -2.24 -1.26 -2.32 114.28 113.86 1h0h n THR 9 Ca -0.02 0.20 0.09 0.00 -2.27 0.00 0.00 64.05 62.04 1h0h n THR 9 Cb 0.10 -1.07 0.03 0.00 -2.10 0.00 0.00 70.33 67.28 1h0h n THR 9 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1h0h n ARG 10 N -2.03 1.57 -2.64 -0.78 1.74 -0.57 -4.99 116.66 108.96 1h0h n ARG 10 Ca 0.03 -1.15 -0.42 0.00 -0.77 0.00 0.00 57.85 55.54 1h0h n ARG 10 Cb 0.23 -1.33 -0.03 0.00 -1.02 0.00 0.00 32.46 30.31 1h0h n ARG 10 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1h0h n THR 12 N 3.49 0.64 -3.45 0.00 -2.24 -1.26 -4.91 114.28 106.56 1h0h n THR 12 Ca 0.05 -0.82 -0.25 0.00 -2.27 0.00 0.00 64.05 60.76 1h0h n THR 12 Cb 0.49 0.83 0.04 0.00 -2.10 0.00 0.00 70.33 69.59 1h0h n THR 12 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1h0h n ALA 13 N 1.28 -1.16 0.33 6.98 0.00 -1.26 -4.84 120.51 121.83 1h0h n ALA 13 Ca 0.18 0.28 0.12 0.00 0.00 0.00 0.00 53.44 54.02 1h0h n ALA 13 Cb 0.55 -4.44 0.52 0.00 0.00 0.00 0.00 19.45 16.08 1h0h n ALA 13 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1h0h n ARG 15 N -2.24 -1.62 -0.18 0.00 1.74 -1.26 -4.89 116.66 108.20 1h0h n ARG 15 Ca 0.01 0.74 -0.03 0.00 -0.77 0.00 0.00 57.85 57.80 1h0h n ARG 15 Cb 0.17 -5.08 0.07 0.00 -1.02 0.00 0.00 32.46 26.60 1h0h n ARG 15 CO 0.00 0.00 0.00 0.78 -1.52 0.00 0.00 177.63 176.89 1h0h h GLY 16 N 0.00 0.78 0.98 -0.13 0.00 -1.91 -2.42 103.07 100.38 1h0h h GLY 16 Ca -0.15 -0.17 -0.01 0.00 0.00 0.00 0.00 47.33 46.99 1h0h h GLY 16 CO 0.23 0.09 0.29 0.00 0.00 0.00 0.00 176.54 177.14 1h0h h GLN 18 N 0.73 0.03 -0.34 0.00 4.15 -1.79 -0.64 115.11 117.25 1h0h h GLN 18 Ca 0.19 -0.00 -0.07 0.00 0.77 0.00 0.00 58.65 59.54 1h0h h GLN 18 Cb 0.07 -0.01 -0.01 0.00 0.21 0.00 0.00 27.48 27.75 1h0h h GLN 18 CO -0.03 0.02 -0.06 0.28 -1.93 0.00 0.00 178.83 177.11 1h0h h VAL 19 N 0.03 1.27 -0.98 2.39 2.07 -1.34 -3.11 116.25 116.58 1h0h h VAL 19 Ca 0.04 -1.10 0.01 0.00 0.82 0.00 0.00 66.70 66.47 1h0h h VAL 19 Cb 0.04 1.29 -0.05 0.00 -1.52 0.00 0.00 31.29 31.05 1h0h h VAL 19 CO -0.06 0.36 0.65 0.00 0.02 0.00 0.00 177.57 178.53 1h0h h ALA 20 N 0.82 1.24 -0.28 1.67 0.00 -0.25 0.81 119.26 123.27 1h0h h ALA 20 Ca 0.09 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1h0h h ALA 20 Cb 0.55 -0.39 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 1h0h h ALA 20 CO 0.03 0.62 0.18 0.00 0.00 0.00 0.00 179.25 180.08 1h0h h LYS 22 N 0.38 0.92 -0.46 0.00 1.57 -1.14 -1.79 116.57 116.05 1h0h h LYS 22 Ca 0.11 -0.18 -0.01 0.00 -1.87 0.00 0.00 60.65 58.69 1h0h h LYS 22 Cb -0.04 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.11 1h0h h LYS 22 CO -0.03 0.80 0.25 0.37 -0.57 0.00 0.00 179.45 180.28 1h0h h GLN 23 N 0.85 0.64 -0.33 3.15 -0.00 -0.55 0.24 115.11 119.12 1h0h h GLN 23 Ca 0.20 -0.07 -0.05 0.00 -0.00 0.00 0.00 58.65 58.72 1h0h h GLN 23 Cb 0.25 -0.13 -0.01 0.00 0.00 0.00 0.00 27.48 27.59 1h0h h GLN 23 CO -0.01 0.50 -0.00 2.35 0.00 0.00 0.00 178.83 181.67 1h0h h TRP 24 N 0.60 0.64 -0.00 3.99 2.91 -0.99 -3.19 115.95 119.90 1h0h h TRP 24 Ca 0.16 -0.11 0.00 0.00 1.13 0.00 0.00 58.89 60.07 1h0h h TRP 24 Cb 0.05 -0.17 0.00 0.00 -0.51 0.00 0.00 29.16 28.54 1h0h h TRP 24 CO -0.02 0.70 -0.25 0.72 -1.03 0.00 0.00 178.44 178.56 1h0h n HIS 25 N -4.53 0.00 -2.33 2.65 8.25 -0.69 -4.93 115.22 113.64 1h0h n HIS 25 Ca -0.02 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.35 1h0h n HIS 25 Cb 0.27 -0.23 0.00 0.00 1.12 0.00 0.00 29.99 31.15 1h0h n HIS 25 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1h0h n GLY 26 N 1.39 0.06 3.75 -1.41 0.00 0.74 -5.00 105.19 104.72 1h0h n GLY 26 Ca 0.10 -0.47 -0.40 0.00 0.00 0.00 0.00 46.02 45.26 1h0h n GLY 26 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1h0h s ASN 27 N -2.70 7.29 0.75 1.61 0.01 -0.48 -5.03 114.94 116.39 1h0h s ASN 27 Ca 0.05 1.54 -0.11 0.00 -0.71 0.00 0.00 52.86 53.63 1h0h s ASN 27 Cb -0.02 -2.49 0.04 0.00 0.41 0.00 0.00 41.25 39.19 1h0h s ASN 27 CO 0.06 0.04 1.08 -2.16 -1.51 0.00 0.00 177.10 174.61 1h0h s PRO 28 N -0.28 2.49 0.68 -0.60 0.04 -1.26 -4.76 135.00 131.30 1h0h s PRO 28 Ca 0.39 0.91 -0.13 0.00 0.04 0.00 0.00 61.00 62.20 1h0h s PRO 28 Cb -0.21 -1.94 0.01 0.00 0.04 0.00 0.00 34.50 32.39 1h0h s PRO 28 CO 0.25 -1.41 1.09 0.00 0.04 0.00 0.00 177.00 176.97 1h0h s ALA 29 N -3.04 2.50 0.27 8.56 0.00 -1.26 -4.86 121.76 123.93 1h0h s ALA 29 Ca 0.60 0.38 0.09 0.00 0.00 0.00 0.00 51.96 53.03 1h0h s ALA 29 Cb -0.15 -3.27 -0.05 0.00 0.00 0.00 0.00 23.12 19.65 1h0h s ALA 29 CO 0.55 -1.30 -0.14 0.95 0.00 0.00 0.00 175.76 175.82 1h0h s THR 30 N -2.60 2.07 0.17 0.00 -4.23 -1.26 -5.11 115.64 104.68 1h0h s THR 30 Ca 0.64 -2.27 -0.31 0.00 -1.18 0.00 0.00 61.69 58.56 1h0h s THR 30 Cb -0.18 -2.29 -0.10 0.00 1.34 0.00 0.00 72.50 71.27 1h0h s THR 30 CO 0.46 -0.42 1.55 -2.84 -0.54 0.00 0.00 174.62 172.83 1h0h s PRO 31 N -3.60 4.22 0.10 3.99 0.02 -1.26 -5.00 135.00 133.47 1h0h s PRO 31 Ca 0.28 2.34 -0.04 0.00 0.02 0.00 0.00 61.00 63.60 1h0h s PRO 31 Cb -0.01 -3.15 -0.03 0.00 0.02 0.00 0.00 34.50 31.33 1h0h s PRO 31 CO 0.12 -0.58 0.10 0.95 -0.33 0.00 0.00 177.00 177.26 1h0h s THR 32 N 1.03 0.15 0.07 0.99 -4.23 -1.26 -5.02 115.64 107.37 1h0h s THR 32 Ca 0.69 -1.61 -0.04 0.00 -1.18 0.00 0.00 61.69 59.55 1h0h s THR 32 Cb -0.43 -1.65 -0.03 0.00 1.34 0.00 0.00 72.50 71.73 1h0h s THR 32 CO 0.32 -0.67 0.06 -1.83 -0.54 0.00 0.00 174.62 171.96 1h0h s GLU 33 N -3.94 0.73 -0.37 3.99 -1.05 -1.26 -5.12 118.70 111.67 1h0h s GLU 33 Ca 0.12 -1.16 -0.21 0.00 -0.15 0.00 0.00 54.97 53.58 1h0h s GLU 33 Cb 0.06 0.26 0.01 0.00 -0.44 0.00 0.00 34.13 34.02 1h0h s GLU 33 CO -0.06 -0.18 0.66 1.21 0.95 0.00 0.00 175.26 177.84 1h0h s ASN 34 N -2.91 6.43 -0.20 0.83 3.84 -1.26 -4.90 114.94 116.76 1h0h s ASN 34 Ca 0.08 0.11 0.16 0.00 0.21 0.00 0.00 52.86 53.42 1h0h s ASN 34 Cb 0.07 -2.33 0.64 0.00 -0.55 0.00 0.00 41.25 39.07 1h0h s ASN 34 CO -0.09 -0.64 1.54 0.35 -2.79 0.00 0.00 177.10 175.48 1h0h n THR 35 N 5.65 2.47 0.00 -5.21 -2.24 -1.26 -4.89 114.28 108.81 1h0h n THR 35 Ca -0.01 -1.72 0.00 0.00 -2.27 0.00 0.00 64.05 60.05 1h0h n THR 35 Cb 0.48 -0.27 0.00 0.00 -2.10 0.00 0.00 70.33 68.45 1h0h n THR 35 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1h0h n GLY 36 N -0.11 1.40 3.09 3.38 0.00 -1.26 -5.12 105.19 106.57 1h0h n GLY 36 Ca 0.24 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.17 1h0h n GLY 36 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1h0h s PHE 37 N -2.00 0.29 -0.14 1.61 0.08 -1.26 -5.04 117.98 111.52 1h0h s PHE 37 Ca 0.00 -0.66 0.15 0.00 0.12 0.00 0.00 56.93 56.54 1h0h s PHE 37 Cb 0.00 -0.21 0.00 0.00 -0.57 0.00 0.00 43.02 42.24 1h0h s PHE 37 CO 0.00 -0.35 1.28 0.45 -0.10 0.00 0.00 175.22 176.50 1h0h h HIS 38 N 3.64 0.00 -3.53 0.36 3.86 -2.00 -3.46 115.15 114.03 1h0h h HIS 38 Ca -0.33 0.00 -0.53 0.00 -1.16 0.00 0.00 60.37 58.35 1h0h h HIS 38 Cb 1.18 0.00 0.07 0.00 1.06 0.00 0.00 27.41 29.72 1h0h h HIS 38 CO 0.55 0.53 0.76 -1.14 0.86 0.00 0.00 177.93 179.49 1h0h s GLN 39 N -2.95 4.25 -0.29 2.45 0.74 -1.26 -5.00 119.66 117.60 1h0h s GLN 39 Ca 0.02 2.35 -0.20 0.00 0.05 0.00 0.00 55.36 57.58 1h0h s GLN 39 Cb 0.08 -3.08 0.16 0.00 1.10 0.00 0.00 33.01 31.27 1h0h s GLN 39 CO 0.77 -0.42 1.13 -0.80 -0.55 0.00 0.00 175.29 175.42 1h0h s ASN 40 N 0.17 -0.32 1.05 6.67 0.01 -1.26 -4.64 114.94 116.62 1h0h s ASN 40 Ca 0.57 0.55 -0.12 0.00 -0.71 0.00 0.00 52.86 53.15 1h0h s ASN 40 Cb -0.43 0.88 0.22 0.00 0.41 0.00 0.00 41.25 42.33 1h0h s ASN 40 CO 0.48 -0.09 1.07 -2.84 -1.51 0.00 0.00 177.10 174.21 1h0h s PRO 41 N 0.76 0.03 0.48 -0.60 0.02 -1.26 -4.92 135.00 129.50 1h0h s PRO 41 Ca -0.03 0.84 0.24 0.00 0.02 0.00 0.00 61.00 62.08 1h0h s PRO 41 Cb -0.04 -1.66 1.21 0.00 0.02 0.00 0.00 34.50 34.02 1h0h s PRO 41 CO -0.12 -3.09 1.97 -1.35 -0.33 0.00 0.00 177.00 174.08 1h0h h PRO 42 N -2.17 0.00 -2.93 5.54 0.11 -1.95 -3.46 132.00 127.14 1h0h h PRO 42 Ca -0.55 0.00 0.05 0.00 0.11 0.00 0.00 66.00 65.61 1h0h h PRO 42 Cb 1.32 0.00 -0.08 0.00 0.11 0.00 0.00 31.00 32.35 1h0h h PRO 42 CO 0.52 0.19 0.25 0.34 -0.21 0.00 0.00 178.00 179.09 1h0h s ASP 43 N -6.29 -0.35 0.50 -2.05 2.15 -1.26 -5.10 116.67 104.27 1h0h s ASP 43 Ca -0.02 -0.39 -0.22 0.00 0.43 0.00 0.00 52.55 52.35 1h0h s ASP 43 Cb 0.13 0.66 -0.07 0.00 -0.30 0.00 0.00 42.92 43.33 1h0h s ASP 43 CO 0.62 -1.18 1.13 0.49 -0.17 0.00 0.00 175.17 176.07 1h0h n PHE 44 N -0.43 1.54 -4.23 -5.34 3.72 -1.26 -5.00 117.46 106.46 1h0h n PHE 44 Ca -0.08 0.48 -0.16 0.00 -0.05 0.00 0.00 57.45 57.64 1h0h n PHE 44 Cb 0.61 -2.27 -0.08 0.00 -0.94 0.00 0.00 39.48 36.80 1h0h n PHE 44 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 1h0h s ASN 45 N -0.87 1.04 0.57 4.37 2.20 -1.21 -4.99 114.94 116.05 1h0h s ASN 45 Ca 0.68 -1.58 0.30 0.00 -0.94 0.00 0.00 52.86 51.32 1h0h s ASN 45 Cb -0.47 0.51 1.45 0.00 -2.00 0.00 0.00 41.25 40.74 1h0h s ASN 45 CO 0.53 -1.01 1.86 0.15 -2.94 0.00 0.00 177.10 175.68 1h0h h PHE 46 N 2.30 0.00 -0.36 1.54 3.57 -1.79 -1.55 116.94 120.65 1h0h h PHE 46 Ca -0.29 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.21 1h0h h PHE 46 Cb 1.24 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.98 1h0h h PHE 46 CO 1.19 0.00 0.00 0.72 -2.23 0.00 0.00 178.31 177.99 1h0h n HIS 47 N -3.93 0.48 -3.64 0.41 8.25 -1.26 -4.70 115.22 110.84 1h0h n HIS 47 Ca 0.14 -0.37 -0.29 0.00 -0.26 0.00 0.00 57.72 56.94 1h0h n HIS 47 Cb 0.86 -0.01 -0.15 0.00 1.12 0.00 0.00 29.99 31.81 1h0h n HIS 47 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 1h0h s THR 48 N -1.07 0.35 -0.14 1.59 2.01 -0.58 -4.59 115.64 113.20 1h0h s THR 48 Ca 0.28 -0.94 0.22 0.00 0.31 0.00 0.00 61.69 61.57 1h0h s THR 48 Cb 0.16 -1.22 -0.22 0.00 0.01 0.00 0.00 72.50 71.23 1h0h s THR 48 CO 0.21 -0.62 0.70 -1.22 -0.69 0.00 0.00 174.62 173.00 1h0h n TYR 49 N 5.08 0.33 -4.09 4.92 4.01 -1.26 -3.31 117.16 122.83 1h0h n TYR 49 Ca -0.05 0.09 -0.28 0.00 -0.16 0.00 0.00 57.90 57.51 1h0h n TYR 49 Cb 0.43 -0.64 -0.17 0.00 -0.31 0.00 0.00 39.34 38.66 1h0h n TYR 49 CO 0.00 0.00 0.00 0.21 -0.46 0.00 0.00 176.86 176.61 1h0h s LYS 50 N -3.44 1.84 -0.11 -0.72 2.47 -1.26 -4.29 119.74 114.22 1h0h s LYS 50 Ca -0.05 -0.39 -0.02 0.00 -1.56 0.00 0.00 55.97 53.95 1h0h s LYS 50 Cb 0.13 -1.74 0.04 0.00 -1.46 0.00 0.00 37.83 34.79 1h0h s LYS 50 CO 0.87 -0.20 -0.00 -1.17 0.16 0.00 0.00 175.35 175.01 1h0h s LEU 51 N 1.43 0.85 -0.55 5.43 2.96 -0.39 -4.67 118.68 123.75 1h0h s LEU 51 Ca 0.01 -0.33 -0.28 0.00 -0.22 0.00 0.00 54.13 53.32 1h0h s LEU 51 Cb -0.13 -0.55 0.03 0.00 0.50 0.00 0.00 46.19 46.04 1h0h s LEU 51 CO -0.07 -0.21 1.13 -0.69 -1.32 0.00 0.00 176.35 175.19 1h0h s VAL 52 N 1.90 4.14 0.21 1.68 1.01 -1.26 -0.44 120.40 127.64 1h0h s VAL 52 Ca 0.03 0.86 -0.18 0.00 0.00 0.00 0.00 61.98 62.70 1h0h s VAL 52 Cb -0.14 -4.66 -0.08 0.00 0.00 0.00 0.00 36.38 31.51 1h0h s VAL 52 CO -0.06 -1.21 0.68 -0.13 0.00 0.00 0.00 175.10 174.38 1h0h s ARG 53 N 4.63 4.17 -0.03 2.72 0.52 0.42 -4.63 118.95 126.73 1h0h s ARG 53 Ca 0.42 0.76 -0.01 0.00 -0.52 0.00 0.00 55.73 56.38 1h0h s ARG 53 Cb -0.08 -2.86 0.03 0.00 0.52 0.00 0.00 34.95 32.55 1h0h s ARG 53 CO 0.26 0.40 0.04 -1.64 0.02 0.00 0.00 175.30 174.38 1h0h s MET 54 N -2.04 0.00 -0.05 3.54 -1.94 -1.26 -1.43 119.30 116.13 1h0h s MET 54 Ca 0.42 0.27 -0.01 0.00 -1.71 0.00 0.00 55.69 54.67 1h0h s MET 54 Cb -0.16 -0.44 0.03 0.00 2.01 0.00 0.00 34.83 36.27 1h0h s MET 54 CO 0.20 -0.26 0.03 -1.01 -0.01 0.00 0.00 175.02 173.98 1h0h s HIS 55 N 1.67 0.30 0.26 -0.03 3.76 0.16 -4.80 115.29 116.61 1h0h s HIS 55 Ca -0.01 0.07 -0.29 0.00 -0.15 0.00 0.00 55.06 54.67 1h0h s HIS 55 Cb -0.12 -0.55 -0.09 0.00 1.11 0.00 0.00 32.58 32.92 1h0h s HIS 55 CO -0.03 -0.21 1.21 -1.21 -0.85 0.00 0.00 174.74 173.64 1h0h s GLU 56 N 1.80 4.50 -0.12 1.40 2.02 -1.26 -0.69 118.70 126.34 1h0h s GLU 56 Ca 0.01 1.97 -0.06 0.00 0.02 0.00 0.00 54.97 56.91 1h0h s GLU 56 Cb -0.12 -3.17 0.05 0.00 0.10 0.00 0.00 34.13 30.99 1h0h s GLU 56 CO -0.03 -0.03 0.29 -0.65 0.02 0.00 0.00 175.26 174.86 1h0h s GLN 57 N -1.12 0.25 -0.27 1.61 -1.52 -0.30 -4.92 119.66 113.39 1h0h s GLN 57 Ca 0.49 0.59 -0.23 0.00 -1.95 0.00 0.00 55.36 54.26 1h0h s GLN 57 Cb -0.35 -0.10 -0.01 0.00 -0.22 0.00 0.00 33.01 32.34 1h0h s GLN 57 CO 0.43 -0.16 0.75 -2.00 -0.25 0.00 0.00 175.29 174.06 1h0h s GLU 58 N 1.29 4.07 -0.15 2.91 2.12 -1.26 -0.27 118.70 127.40 1h0h s GLU 58 Ca -0.09 0.68 0.01 0.00 0.36 0.00 0.00 54.97 55.92 1h0h s GLU 58 Cb -0.10 -3.68 0.02 0.00 0.26 0.00 0.00 34.13 30.63 1h0h s GLU 58 CO -0.10 -0.55 -0.18 0.42 -0.54 0.00 0.00 175.26 174.31 1h0h s ILE 59 N 2.79 1.82 -1.40 -3.70 1.01 0.89 -4.70 121.20 117.89 1h0h s ILE 59 Ca 0.31 -0.80 -0.07 0.00 0.00 0.00 0.00 60.65 60.09 1h0h s ILE 59 Cb -0.15 -1.65 0.04 0.00 0.01 0.00 0.00 42.46 40.70 1h0h s ILE 59 CO 0.10 0.50 0.90 0.47 0.00 0.00 0.00 174.94 176.91 1h0h n ASP 60 N 4.53 -3.41 0.00 3.58 8.00 -1.26 -1.40 116.55 126.58 1h0h n ASP 60 Ca -0.19 -0.75 0.00 0.00 0.71 0.00 0.00 54.79 54.56 1h0h n ASP 60 Cb 0.50 -4.19 0.00 0.00 -0.02 0.00 0.00 41.12 37.41 1h0h n ASP 60 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1h0h n GLY 61 N -1.65 0.92 3.29 0.44 0.00 -1.26 -4.99 105.19 101.93 1h0h n GLY 61 Ca -0.12 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.59 1h0h n GLY 61 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1h0h s ARG 62 N -0.20 2.24 0.44 1.61 0.52 -0.50 -5.10 118.95 117.97 1h0h s ARG 62 Ca 0.00 -0.91 -0.25 0.00 -0.52 0.00 0.00 55.73 54.05 1h0h s ARG 62 Cb 0.00 -2.06 -0.08 0.00 0.52 0.00 0.00 34.95 33.33 1h0h s ARG 62 CO 0.00 0.49 1.27 -1.50 0.02 0.00 0.00 175.30 175.58 1h0h s ILE 63 N -0.45 2.70 0.15 1.52 1.10 -1.26 -0.08 121.20 124.88 1h0h s ILE 63 Ca 0.05 0.58 -0.03 0.00 -0.51 0.00 0.00 60.65 60.74 1h0h s ILE 63 Cb -0.11 -3.33 -0.03 0.00 0.15 0.00 0.00 42.46 39.14 1h0h s ILE 63 CO 0.01 0.05 0.12 -0.62 -2.11 0.00 0.00 174.94 172.39 1h0h s ASP 64 N -0.95 0.23 -0.16 4.50 -1.08 0.63 -4.85 116.67 114.99 1h0h s ASP 64 Ca 0.60 -1.14 -0.03 0.00 -0.52 0.00 0.00 52.55 51.47 1h0h s ASP 64 Cb -0.36 0.34 0.05 0.00 -1.46 0.00 0.00 42.92 41.50 1h0h s ASP 64 CO 0.45 -0.78 0.04 0.86 0.52 0.00 0.00 175.17 176.25 1h0h s TRP 65 N -4.04 0.77 -0.19 -5.34 -0.11 -1.26 -1.15 118.94 107.62 1h0h s TRP 65 Ca 0.24 -0.58 -0.09 0.00 1.22 0.00 0.00 56.10 56.88 1h0h s TRP 65 Cb 0.06 -0.90 -0.05 0.00 -1.50 0.00 0.00 33.47 31.08 1h0h s TRP 65 CO 0.02 -0.52 0.12 -0.51 -4.62 0.00 0.00 176.95 171.44 1h0h s LEU 66 N 1.94 4.18 0.01 5.86 1.43 0.13 -4.91 118.68 127.33 1h0h s LEU 66 Ca 0.01 0.24 0.06 0.00 -1.03 0.00 0.00 54.13 53.41 1h0h s LEU 66 Cb -0.16 -2.07 -0.03 0.00 0.03 0.00 0.00 46.19 43.96 1h0h s LEU 66 CO -0.07 0.20 -0.18 -0.36 0.23 0.00 0.00 176.35 176.17 1h0h s PHE 67 N 0.23 2.57 -0.27 0.29 0.08 -1.26 -0.67 117.98 118.95 1h0h s PHE 67 Ca 0.08 -0.25 -0.02 0.00 0.12 0.00 0.00 56.93 56.85 1h0h s PHE 67 Cb -0.11 -1.51 0.11 0.00 -0.57 0.00 0.00 43.02 40.95 1h0h s PHE 67 CO -0.01 0.21 0.22 0.12 -0.10 0.00 0.00 175.22 175.66 1h0h s PHE 68 N -0.85 -0.18 -1.16 0.36 5.36 -0.52 -4.81 117.98 116.20 1h0h s PHE 68 Ca 0.13 -0.29 -0.19 0.00 -0.96 0.00 0.00 56.93 55.62 1h0h s PHE 68 Cb -0.10 -0.57 0.09 0.00 -0.34 0.00 0.00 43.02 42.09 1h0h s PHE 68 CO 0.03 -0.81 1.53 -1.25 -1.46 0.00 0.00 175.22 173.27 1h0h s PRO 69 N 2.27 3.83 0.40 10.12 0.04 -1.26 -0.44 135.00 149.97 1h0h s PRO 69 Ca 0.08 -1.78 -0.25 0.00 0.04 0.00 0.00 61.00 59.10 1h0h s PRO 69 Cb -0.15 -5.34 -0.09 0.00 0.04 0.00 0.00 34.50 28.97 1h0h s PRO 69 CO -0.28 -2.11 1.11 0.34 0.04 0.00 0.00 177.00 176.09 1h0h s ASP 70 N 4.19 6.61 0.13 6.66 -1.08 0.42 -4.76 116.67 128.84 1h0h s ASP 70 Ca 0.47 2.19 -0.26 0.00 -0.52 0.00 0.00 52.55 54.44 1h0h s ASP 70 Cb 0.01 -2.60 0.07 0.00 -1.46 0.00 0.00 42.92 38.94 1h0h s ASP 70 CO -0.01 -0.60 0.98 0.00 0.52 0.00 0.00 175.17 176.06 1h0h s GLN 71 N -2.40 1.11 0.39 4.34 -2.07 -1.26 -1.26 119.66 118.51 1h0h s GLN 71 Ca 0.58 -0.60 -0.25 0.00 -1.82 0.00 0.00 55.36 53.26 1h0h s GLN 71 Cb -0.26 0.39 -0.12 0.00 -1.09 0.00 0.00 33.01 31.93 1h0h s GLN 71 CO 0.33 -0.51 0.98 0.00 -1.32 0.00 0.00 175.29 174.77 1h0h n ARG 73 N 0.33 0.43 -3.81 0.00 5.12 -1.26 -4.78 116.66 112.70 1h0h n ARG 73 Ca 0.09 -0.20 -0.31 0.00 -1.93 0.00 0.00 57.85 55.51 1h0h n ARG 73 Cb 0.37 -1.50 0.02 0.00 -1.16 0.00 0.00 32.46 30.20 1h0h n ARG 73 CO 0.00 0.00 0.00 0.72 -1.93 0.00 0.00 177.63 176.42 1h0h n HIS 74 N -1.11 -1.77 -1.50 -1.55 8.25 -1.26 -1.01 115.22 115.26 1h0h n HIS 74 Ca 0.10 0.52 -0.51 0.00 -0.26 0.00 0.00 57.72 57.57 1h0h n HIS 74 Cb 0.32 -3.50 -0.05 0.00 1.12 0.00 0.00 29.99 27.88 1h0h n HIS 74 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1h0h h ILE 76 N 2.22 1.24 -2.98 0.00 2.04 -1.52 -3.23 117.51 115.27 1h0h h ILE 76 Ca -0.41 -0.44 -0.62 0.00 1.00 0.00 0.00 64.86 64.40 1h0h h ILE 76 Cb 1.40 -0.09 -0.41 0.00 -0.74 0.00 0.00 36.82 36.97 1h0h h ILE 76 CO 0.64 0.23 -0.67 0.00 0.00 0.00 0.00 178.15 178.35 1h0h s ALA 77 N -6.00 3.11 -0.24 1.87 0.00 -1.26 -5.08 121.76 114.16 1h0h s ALA 77 Ca -0.12 -3.37 -0.29 0.00 0.00 0.00 0.00 51.96 48.18 1h0h s ALA 77 Cb 0.18 -2.03 -0.03 0.00 0.00 0.00 0.00 23.12 21.24 1h0h s ALA 77 CO 0.81 -2.06 1.73 -1.25 0.00 0.00 0.00 175.76 174.98 1h0h s PRO 78 N -0.82 3.64 0.40 0.00 0.04 -1.22 -4.90 135.00 132.14 1h0h s PRO 78 Ca 0.24 1.67 0.16 0.00 0.04 0.00 0.00 61.00 63.11 1h0h s PRO 78 Cb -0.08 -4.11 0.86 0.00 0.04 0.00 0.00 34.50 31.21 1h0h s PRO 78 CO -0.13 -1.49 1.88 -1.00 0.04 0.00 0.00 177.00 176.30 1h0h h PRO 79 N 11.62 0.00 -0.10 0.56 0.13 -1.93 -1.82 132.00 140.46 1h0h h PRO 79 Ca -0.35 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 64.79 1h0h h PRO 79 Cb 1.17 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.29 1h0h h PRO 79 CO 1.00 0.31 0.03 0.00 -0.23 0.00 0.00 178.00 179.11 1h0h h LYS 81 N 0.08 1.06 -0.91 0.00 3.64 -1.89 -1.54 116.57 117.01 1h0h h LYS 81 Ca 0.04 -0.28 0.11 0.00 -1.27 0.00 0.00 60.65 59.25 1h0h h LYS 81 Cb 0.02 -0.13 -0.07 0.00 -0.41 0.00 0.00 32.23 31.65 1h0h h LYS 81 CO -0.04 0.97 0.58 0.00 -2.27 0.00 0.00 179.45 178.69 1h0h h ALA 82 N 1.04 1.66 -0.00 5.00 0.00 -1.06 0.34 119.26 126.23 1h0h h ALA 82 Ca 0.20 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.11 1h0h h ALA 82 Cb 0.42 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.02 1h0h h ALA 82 CO 0.01 0.13 -0.01 1.15 0.00 0.00 0.00 179.25 180.53 1h0h h THR 83 N 0.86 1.56 -0.56 0.00 2.02 -1.21 -3.29 112.91 112.28 1h0h h THR 83 Ca 0.43 -1.65 0.01 0.00 0.77 0.00 0.00 66.41 65.97 1h0h h THR 83 Cb 0.49 2.67 -0.03 0.00 -1.74 0.00 0.00 68.15 69.54 1h0h h THR 83 CO -0.20 0.43 0.37 0.00 0.37 0.00 0.00 175.52 176.50 1h0h h ALA 84 N 0.30 1.62 -0.06 6.16 0.00 -0.83 -2.15 119.26 124.31 1h0h h ALA 84 Ca -0.00 -0.04 0.02 0.00 0.00 0.00 0.00 54.91 54.89 1h0h h ALA 84 Cb 0.71 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.28 1h0h h ALA 84 CO 0.00 0.34 0.09 -0.44 0.00 0.00 0.00 179.25 179.24 1h0h h ASP 85 N 0.74 0.00 0.70 0.00 3.32 -0.41 -0.11 116.42 120.67 1h0h h ASP 85 Ca 0.21 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.26 1h0h h ASP 85 Cb -0.05 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.50 1h0h h ASP 85 CO -0.05 0.00 0.00 0.24 -1.72 0.00 0.00 179.24 177.71 1h0h h MET 86 N 0.00 0.00 0.00 3.56 2.86 -1.49 -3.29 114.93 116.57 1h0h h MET 86 Ca 0.03 0.00 -0.26 0.00 -2.06 0.00 0.00 59.70 57.41 1h0h h MET 86 Cb 0.20 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 31.82 1h0h h MET 86 CO -0.00 0.00 -1.90 -1.91 1.06 0.00 0.00 176.91 174.16 1h0h n GLU 87 N -2.77 0.35 -3.22 1.72 2.13 -0.21 -5.04 120.64 113.61 1h0h n GLU 87 Ca 0.00 0.14 0.02 0.00 0.66 0.00 0.00 57.16 57.98 1h0h n GLU 87 Cb 0.23 -1.14 -0.02 0.00 0.27 0.00 0.00 31.44 30.78 1h0h n GLU 87 CO 0.00 0.00 0.00 0.34 -0.41 0.00 0.00 177.13 177.06 1h0h s ASP 88 N -6.21 -1.18 0.00 4.31 -1.08 -0.28 -5.03 116.67 107.20 1h0h s ASP 88 Ca -0.22 0.87 0.19 0.00 -0.52 0.00 0.00 52.55 52.87 1h0h s ASP 88 Cb 0.08 2.06 0.83 0.00 -1.46 0.00 0.00 42.92 44.43 1h0h s ASP 88 CO 0.30 -0.26 1.61 -0.62 0.52 0.00 0.00 175.17 176.72 1h0h n GLU 89 N 5.42 0.02 0.00 4.34 1.02 -1.26 -2.67 120.64 127.52 1h0h n GLU 89 Ca -0.02 0.17 0.12 0.00 -0.02 0.00 0.00 57.16 57.40 1h0h n GLU 89 Cb 0.51 -1.50 0.19 0.00 -0.02 0.00 0.00 31.44 30.61 1h0h n GLU 89 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 1h0h n SER 90 N -1.49 1.85 -0.01 1.62 3.41 -1.26 -4.37 113.62 113.37 1h0h n SER 90 Ca 0.05 -1.42 -0.12 0.00 -0.26 0.00 0.00 58.87 57.11 1h0h n SER 90 Cb 0.22 0.24 -0.08 0.00 -0.26 0.00 0.00 64.21 64.33 1h0h n SER 90 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1h0h h ALA 91 N 4.03 0.06 -3.26 7.33 0.00 -1.82 -3.41 119.26 122.19 1h0h h ALA 91 Ca 0.00 -0.16 -0.67 0.00 0.00 0.00 0.00 54.91 54.08 1h0h h ALA 91 Cb 0.70 -0.02 -0.34 0.00 0.00 0.00 0.00 17.79 18.13 1h0h h ALA 91 CO 0.00 -0.27 -0.81 0.42 0.00 0.00 0.00 179.25 178.59 1h0h s ILE 92 N -4.98 2.36 0.07 0.00 1.01 -1.26 -1.97 121.20 116.43 1h0h s ILE 92 Ca -0.15 -1.06 -0.24 0.00 0.00 0.00 0.00 60.65 59.21 1h0h s ILE 92 Cb 0.04 -2.12 -0.06 0.00 0.01 0.00 0.00 42.46 40.32 1h0h s ILE 92 CO 0.68 0.35 0.71 -0.63 0.00 0.00 0.00 174.94 176.05 1h0h s ILE 93 N 1.27 4.66 -0.38 2.92 1.01 0.47 -4.89 121.20 126.26 1h0h s ILE 93 Ca 0.01 1.53 -0.06 0.00 0.00 0.00 0.00 60.65 62.14 1h0h s ILE 93 Cb -0.15 -4.06 0.08 0.00 0.01 0.00 0.00 42.46 38.33 1h0h s ILE 93 CO -0.09 0.44 0.17 -2.28 0.00 0.00 0.00 174.94 173.19 1h0h s HIS 94 N -0.53 3.38 -0.34 3.97 2.46 -1.26 0.66 115.29 123.63 1h0h s HIS 94 Ca 0.35 -1.81 -0.27 0.00 0.47 0.00 0.00 55.06 53.80 1h0h s HIS 94 Cb -0.21 -2.76 0.01 0.00 -0.13 0.00 0.00 32.58 29.50 1h0h s HIS 94 CO 0.22 -0.85 0.98 0.34 -2.47 0.00 0.00 174.74 172.96 1h0h s ASP 95 N 1.76 6.80 0.21 9.88 2.15 0.47 -4.94 116.67 133.00 1h0h s ASP 95 Ca 0.02 0.81 -0.09 0.00 0.43 0.00 0.00 52.55 53.72 1h0h s ASP 95 Cb -0.22 -2.50 0.17 0.00 -0.30 0.00 0.00 42.92 40.08 1h0h s ASP 95 CO -0.00 -0.84 1.88 -0.78 -0.17 0.00 0.00 175.17 175.25 1h0h h ASP 96 N 8.26 0.93 0.10 -0.34 3.58 -1.95 0.41 116.42 127.41 1h0h h ASP 96 Ca -0.22 -0.04 -0.09 0.00 0.42 0.00 0.00 57.03 57.10 1h0h h ASP 96 Cb 1.07 -0.23 -0.01 0.00 1.72 0.00 0.00 39.33 41.88 1h0h h ASP 96 CO 1.00 0.69 -0.30 0.00 -2.88 0.00 0.00 179.24 177.75 1h0h h ALA 97 N 1.28 1.20 0.00 -0.78 0.00 -1.98 -3.33 119.26 115.64 1h0h h ALA 97 Ca 0.29 -0.34 -0.04 0.00 0.00 0.00 0.00 54.91 54.82 1h0h h ALA 97 Cb -0.09 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 1h0h h ALA 97 CO -0.06 0.53 -1.42 0.25 0.00 0.00 0.00 179.25 178.55 1h0h n THR 98 N -4.11 0.13 -0.64 0.00 -2.24 -1.15 -3.73 114.28 102.54 1h0h n THR 98 Ca -0.01 -0.22 0.00 0.00 -2.27 0.00 0.00 64.05 61.55 1h0h n THR 98 Cb 0.41 0.03 0.00 0.00 -2.10 0.00 0.00 70.33 68.67 1h0h n THR 98 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1h0h n GLY 99 N 2.16 0.79 3.76 3.38 0.00 0.14 -1.07 105.19 114.35 1h0h n GLY 99 Ca -0.04 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.57 1h0h n GLY 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1h0h s VAL 101 N -0.62 4.64 -0.33 0.00 1.01 -1.26 -0.40 120.40 123.44 1h0h s VAL 101 Ca 0.54 -0.88 -0.05 0.00 0.00 0.00 0.00 61.98 61.59 1h0h s VAL 101 Cb -0.42 -3.61 0.05 0.00 0.00 0.00 0.00 36.38 32.39 1h0h s VAL 101 CO 0.50 -0.27 0.09 -0.22 0.00 0.00 0.00 175.10 175.20 1h0h s LEU 102 N 1.56 4.28 0.04 3.92 2.96 0.21 -4.80 118.68 126.85 1h0h s LEU 102 Ca 0.02 -1.21 -0.30 0.00 -0.22 0.00 0.00 54.13 52.42 1h0h s LEU 102 Cb -0.19 -1.84 -0.05 0.00 0.50 0.00 0.00 46.19 44.61 1h0h s LEU 102 CO 0.07 -0.33 1.15 -0.36 -1.32 0.00 0.00 176.35 175.56 1h0h s PHE 103 N 1.36 3.48 0.38 5.38 0.40 -1.26 -0.40 117.98 127.32 1h0h s PHE 103 Ca -0.02 1.39 0.08 0.00 -0.60 0.00 0.00 56.93 57.78 1h0h s PHE 103 Cb -0.20 -3.35 -0.03 0.00 0.51 0.00 0.00 43.02 39.95 1h0h s PHE 103 CO 0.02 -0.98 0.28 0.95 0.70 0.00 0.00 175.22 176.18 1h0h s THR 104 N 1.09 2.96 0.65 0.64 -4.23 -0.83 -4.91 115.64 111.01 1h0h s THR 104 Ca 0.57 -1.47 0.40 0.00 -1.18 0.00 0.00 61.69 60.01 1h0h s THR 104 Cb -0.27 -3.05 0.41 0.00 1.34 0.00 0.00 72.50 70.93 1h0h s THR 104 CO 0.29 -0.09 2.28 -0.65 -0.54 0.00 0.00 174.62 175.91 1h0h h PRO 105 N 1.25 0.00 0.00 3.99 0.11 -1.87 -1.52 132.00 133.96 1h0h h PRO 105 Ca -0.43 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.68 1h0h h PRO 105 Cb 1.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.37 1h0h h PRO 105 CO 0.60 0.00 0.17 0.87 -0.21 0.00 0.00 178.00 179.43 1h0h h LYS 106 N 0.00 0.00 -0.03 1.05 1.79 -1.87 0.70 116.57 118.20 1h0h h LYS 106 Ca 0.01 0.00 0.01 0.00 -2.18 0.00 0.00 60.65 58.49 1h0h h LYS 106 Cb 0.12 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 30.77 1h0h h LYS 106 CO -0.00 0.00 0.04 1.79 -1.08 0.00 0.00 179.45 180.20 1h0h h THR 107 N 0.00 0.39 -0.52 -0.16 1.35 -1.45 -2.21 112.91 110.32 1h0h h THR 107 Ca 0.00 0.00 0.14 0.00 -0.55 0.00 0.00 66.41 66.00 1h0h h THR 107 Cb 0.34 0.96 -0.02 0.00 -1.73 0.00 0.00 68.15 67.70 1h0h h THR 107 CO 0.00 0.00 0.37 0.50 -0.25 0.00 0.00 175.52 176.14 1h0h h LYS 108 N 0.00 0.07 -0.01 4.72 3.64 -1.03 -1.61 116.57 122.34 1h0h h LYS 108 Ca 0.01 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 1h0h h LYS 108 Cb 0.10 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 31.91 1h0h h LYS 108 CO -0.00 0.04 -0.04 -0.25 -2.27 0.00 0.00 179.45 176.94 1h0h n ASP 109 N -4.41 1.31 -4.72 4.20 8.00 -0.83 -4.29 116.55 115.82 1h0h n ASP 109 Ca 0.09 -1.36 -0.42 0.00 0.71 0.00 0.00 54.79 53.81 1h0h n ASP 109 Cb 0.55 0.02 -0.03 0.00 -0.02 0.00 0.00 41.12 41.63 1h0h n ASP 109 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1h0h s LEU 110 N -2.08 4.38 0.12 0.64 1.43 -0.61 -4.91 118.68 117.66 1h0h s LEU 110 Ca 0.37 2.46 0.02 0.00 -1.03 0.00 0.00 54.13 55.95 1h0h s LEU 110 Cb 0.21 -3.60 -0.16 0.00 0.03 0.00 0.00 46.19 42.67 1h0h s LEU 110 CO 0.36 -0.69 1.28 1.05 0.23 0.00 0.00 176.35 178.58 1h0h h GLU 111 N 6.39 0.14 -2.97 1.70 4.11 -1.89 -3.40 114.58 118.66 1h0h h GLU 111 Ca -0.43 -0.20 -0.68 0.00 0.07 0.00 0.00 59.36 58.12 1h0h h GLU 111 Cb 1.21 0.07 -0.37 0.00 0.50 0.00 0.00 28.75 30.16 1h0h h GLU 111 CO 0.86 1.04 -0.19 -3.47 0.07 0.00 0.00 179.01 177.32 1h0h n ASP 112 N -3.51 4.16 0.13 3.06 2.03 -1.26 -4.86 116.55 116.30 1h0h n ASP 112 Ca -0.04 -3.25 0.00 0.00 0.52 0.00 0.00 54.79 52.02 1h0h n ASP 112 Cb 0.92 -0.94 0.11 0.00 -0.72 0.00 0.00 41.12 40.49 1h0h n ASP 112 CO 0.00 0.00 0.00 0.10 -1.92 0.00 0.00 177.20 175.38 1h0h h TYR 113 N 5.39 0.00 -0.72 -0.67 -0.00 -1.93 -3.29 116.97 115.75 1h0h h TYR 113 Ca 0.17 0.00 -0.01 0.00 0.00 0.00 0.00 58.73 58.90 1h0h h TYR 113 Cb 0.74 0.00 -0.03 0.00 0.00 0.00 0.00 36.73 37.44 1h0h h TYR 113 CO 0.75 0.61 0.42 0.93 -0.00 0.00 0.00 178.16 180.88 1h0h h GLU 114 N 0.00 0.97 -0.20 0.10 5.08 -1.98 -1.61 114.58 116.94 1h0h h GLU 114 Ca -0.01 -0.09 -0.10 0.00 -1.00 0.00 0.00 59.36 58.17 1h0h h GLU 114 Cb 1.28 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 30.31 1h0h h GLU 114 CO 0.08 0.69 -0.30 0.77 -1.00 0.00 0.00 179.01 179.25 1h0h h SER 115 N 0.99 0.41 -0.17 1.42 0.02 -1.99 0.13 113.55 114.36 1h0h h SER 115 Ca 0.26 -0.15 -0.02 0.00 -0.84 0.00 0.00 61.79 61.04 1h0h h SER 115 Cb -0.03 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 62.39 1h0h h SER 115 CO -0.05 0.70 0.04 0.58 -1.14 0.00 0.00 176.83 176.96 1h0h h VAL 116 N 0.35 1.21 -0.40 2.27 2.07 -1.42 -1.14 116.25 119.18 1h0h h VAL 116 Ca 0.05 -0.67 -0.06 0.00 0.82 0.00 0.00 66.70 66.84 1h0h h VAL 116 Cb 0.71 1.33 -0.01 0.00 -1.52 0.00 0.00 31.29 31.80 1h0h h VAL 116 CO 0.05 0.20 0.01 0.40 0.02 0.00 0.00 177.57 178.26 1h0h h ILE 117 N 0.08 1.26 0.00 4.57 2.04 -1.05 -2.72 117.51 121.69 1h0h h ILE 117 Ca 0.05 -0.99 -0.04 0.00 1.00 0.00 0.00 64.86 64.89 1h0h h ILE 117 Cb 0.28 1.11 -0.01 0.00 -0.74 0.00 0.00 36.82 37.46 1h0h h ILE 117 CO 0.00 0.34 -0.17 0.28 0.00 0.00 0.00 178.15 178.59 1h0h h SER 118 N 0.54 0.00 0.62 1.72 0.02 -0.90 -2.37 113.55 113.17 1h0h h SER 118 Ca 0.12 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 61.04 1h0h h SER 118 Cb 0.46 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.00 1h0h h SER 118 CO 0.02 0.17 -0.14 0.00 -1.14 0.00 0.00 176.83 175.74 1h0h h ALA 119 N 1.83 1.14 -1.99 3.77 0.00 -0.87 -3.42 119.26 119.71 1h0h h ALA 119 Ca -0.00 -0.13 -0.57 0.00 0.00 0.00 0.00 54.91 54.21 1h0h h ALA 119 Cb 0.48 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.21 1h0h h ALA 119 CO 0.02 0.18 1.04 0.00 0.00 0.00 0.00 179.25 180.49 1h0h h PRO 121 N 9.92 0.00 -0.10 0.00 0.11 -1.88 -2.37 132.00 137.68 1h0h h PRO 121 Ca -0.29 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.82 1h0h h PRO 121 Cb 1.12 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.23 1h0h h PRO 121 CO 1.02 0.00 0.00 0.66 -0.21 0.00 0.00 178.00 179.47 1h0h n TYR 122 N -3.00 0.11 -3.74 0.65 4.01 -1.26 -4.74 117.16 109.18 1h0h n TYR 122 Ca -0.01 -0.07 -0.23 0.00 -0.16 0.00 0.00 57.90 57.43 1h0h n TYR 122 Cb 0.18 -0.00 0.03 0.00 -0.31 0.00 0.00 39.34 39.24 1h0h n TYR 122 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 1h0h n ASP 123 N 1.13 -2.05 -0.10 7.72 2.03 -0.89 -4.90 116.55 119.48 1h0h n ASP 123 Ca 0.13 -0.80 -0.22 0.00 0.52 0.00 0.00 54.79 54.41 1h0h n ASP 123 Cb 0.50 -4.05 -0.12 0.00 -0.72 0.00 0.00 41.12 36.73 1h0h n ASP 123 CO 0.00 0.00 0.00 0.52 -1.92 0.00 0.00 177.20 175.80 1h0h n VAL 124 N -4.38 1.55 -2.01 5.18 0.31 -1.26 -4.93 118.33 112.79 1h0h n VAL 124 Ca -0.22 -0.09 -0.38 0.00 -0.01 0.00 0.00 64.34 63.64 1h0h n VAL 124 Cb 0.64 -2.01 0.02 0.00 -0.91 0.00 0.00 33.84 31.58 1h0h n VAL 124 CO 0.00 0.00 0.00 -2.84 -1.32 0.00 0.00 176.83 172.67 1h0h s PRO 125 N -2.38 3.42 0.01 5.55 0.02 -1.26 -4.88 135.00 135.48 1h0h s PRO 125 Ca -0.29 2.01 0.01 0.00 0.02 0.00 0.00 61.00 62.76 1h0h s PRO 125 Cb 0.06 -2.32 -0.01 0.00 0.02 0.00 0.00 34.50 32.25 1h0h s PRO 125 CO 0.60 -0.89 -0.05 1.03 -0.33 0.00 0.00 177.00 177.36 1h0h s ARG 126 N -2.82 0.37 -0.10 5.54 1.81 -1.09 -4.93 118.95 117.73 1h0h s ARG 126 Ca 0.68 -0.36 -0.08 0.00 -1.72 0.00 0.00 55.73 54.24 1h0h s ARG 126 Cb -0.35 -0.25 -0.04 0.00 -0.45 0.00 0.00 34.95 33.86 1h0h s ARG 126 CO 0.41 0.06 0.19 0.21 -0.68 0.00 0.00 175.30 175.49 1h0h s LYS 127 N -0.66 3.53 0.56 3.54 2.20 -1.26 -1.45 119.74 126.20 1h0h s LYS 127 Ca -0.04 -0.04 -0.18 0.00 -0.36 0.00 0.00 55.97 55.36 1h0h s LYS 127 Cb -0.05 -3.20 -0.05 0.00 -1.51 0.00 0.00 37.83 33.02 1h0h s LYS 127 CO -0.00 0.76 1.09 0.54 -0.36 0.00 0.00 175.35 177.37 1h0h s VAL 128 N -1.02 3.49 0.16 4.02 0.11 -0.22 -4.51 120.40 122.43 1h0h s VAL 128 Ca 0.16 0.84 -0.16 0.00 -2.93 0.00 0.00 61.98 59.90 1h0h s VAL 128 Cb -0.13 -3.32 0.03 0.00 -1.53 0.00 0.00 36.38 31.43 1h0h s VAL 128 CO 0.06 -0.28 1.78 0.00 -3.33 0.00 0.00 175.10 173.32 1h0h h ALA 129 N 0.96 0.50 0.00 1.54 0.00 -1.98 -3.23 119.26 117.04 1h0h h ALA 129 Ca -0.49 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1h0h h ALA 129 Cb 1.24 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.96 1h0h h ALA 129 CO 0.57 -0.15 0.00 -0.85 0.00 0.00 0.00 179.25 178.82 1h0h n GLU 130 N -4.91 0.66 -1.83 0.00 0.00 -1.26 -4.90 120.64 108.39 1h0h n GLU 130 Ca 0.02 0.00 -0.02 0.00 0.00 0.00 0.00 57.16 57.15 1h0h n GLU 130 Cb 0.09 -1.50 0.01 0.00 0.00 0.00 0.00 31.44 30.04 1h0h n GLU 130 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.13 176.00 1h0h n SER 131 N -1.17 -0.61 -0.45 -1.84 3.41 -1.22 -5.03 113.62 106.71 1h0h n SER 131 Ca 0.18 -1.41 0.11 0.00 -0.26 0.00 0.00 58.87 57.50 1h0h n SER 131 Cb 0.19 1.01 0.44 0.00 -0.26 0.00 0.00 64.21 65.59 1h0h n SER 131 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1h0h n ASN 132 N -1.08 1.37 -4.76 4.04 4.13 -1.26 -4.37 115.26 113.33 1h0h n ASN 132 Ca -0.02 -1.61 -0.41 0.00 1.68 0.00 0.00 54.58 54.21 1h0h n ASN 132 Cb 0.16 -0.07 -0.01 0.00 -1.54 0.00 0.00 39.78 38.32 1h0h n ASN 132 CO 0.00 0.00 0.00 -1.58 0.28 0.00 0.00 177.26 175.96 1h0h s GLN 133 N -1.86 4.15 0.11 3.52 0.74 -1.26 -4.25 119.66 120.81 1h0h s GLN 133 Ca 0.33 2.52 0.08 0.00 0.05 0.00 0.00 55.36 58.34 1h0h s GLN 133 Cb 0.18 -3.02 -0.04 0.00 1.10 0.00 0.00 33.01 31.23 1h0h s GLN 133 CO 0.27 -0.55 -0.20 -1.64 -0.55 0.00 0.00 175.29 172.62 1h0h s MET 134 N -1.04 1.15 0.17 1.67 -1.94 -1.26 -1.05 119.30 117.00 1h0h s MET 134 Ca 0.59 -1.21 -0.08 0.00 -1.71 0.00 0.00 55.69 53.28 1h0h s MET 134 Cb -0.46 -1.38 -0.01 0.00 2.01 0.00 0.00 34.83 34.99 1h0h s MET 134 CO 0.52 0.31 0.28 0.00 -0.01 0.00 0.00 175.02 176.12 1h0h s ALA 135 N -1.32 0.09 0.05 3.03 0.00 -0.53 -4.67 121.76 118.41 1h0h s ALA 135 Ca 0.08 -0.96 -0.25 0.00 0.00 0.00 0.00 51.96 50.83 1h0h s ALA 135 Cb -0.09 0.90 0.08 0.00 0.00 0.00 0.00 23.12 24.01 1h0h s ALA 135 CO 0.05 -0.65 1.15 0.36 0.00 0.00 0.00 175.76 176.67 1h0h n LYS 136 N -0.22 0.34 -1.57 0.00 2.85 -1.26 -2.66 118.16 115.63 1h0h n LYS 136 Ca -0.06 -0.99 -0.54 0.00 -1.05 0.00 0.00 58.31 55.66 1h0h n LYS 136 Cb 0.63 1.49 -0.06 0.00 -0.65 0.00 0.00 35.03 36.44 1h0h n LYS 136 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1h0h n ASP 138 N 2.36 4.12 -1.67 0.00 5.75 -1.26 -4.82 116.55 121.03 1h0h n ASP 138 Ca 0.19 -3.22 -0.15 0.00 -0.01 0.00 0.00 54.79 51.60 1h0h n ASP 138 Cb 0.16 -0.64 -0.05 0.00 -1.03 0.00 0.00 41.12 39.56 1h0h n ASP 138 CO 0.00 0.00 0.00 0.80 -0.11 0.00 0.00 177.20 177.89 1h0h n MET 139 N -0.41 -1.50 -4.03 0.11 0.00 -1.26 -0.93 117.12 109.10 1h0h n MET 139 Ca 0.31 0.86 -0.27 0.00 -0.00 0.00 0.00 57.70 58.59 1h0h n MET 139 Cb 1.12 -5.22 -0.04 0.00 0.00 0.00 0.00 33.22 29.09 1h0h n MET 139 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1h0h h ILE 141 N -1.84 0.64 -0.68 0.00 6.09 -1.47 -0.72 117.51 119.53 1h0h h ILE 141 Ca -0.64 -0.19 -0.03 0.00 -1.37 0.00 0.00 64.86 62.63 1h0h h ILE 141 Cb 1.38 0.02 -0.03 0.00 0.47 0.00 0.00 36.82 38.66 1h0h h ILE 141 CO 0.64 0.10 0.33 -2.24 -3.07 0.00 0.00 178.15 173.91 1h0h h ASP 142 N 0.57 0.89 -0.40 2.19 2.03 -1.87 -2.60 116.42 117.23 1h0h h ASP 142 Ca 0.52 -0.13 -0.06 0.00 -0.73 0.00 0.00 57.03 56.62 1h0h h ASP 142 Cb 0.84 -0.23 -0.01 0.00 -0.83 0.00 0.00 39.33 39.10 1h0h h ASP 142 CO -0.42 0.78 0.01 0.03 -1.03 0.00 0.00 179.24 178.60 1h0h h ARG 143 N 0.95 0.69 0.00 4.15 3.08 -1.51 -3.01 114.38 118.73 1h0h h ARG 143 Ca 0.23 -0.22 0.00 0.00 0.07 0.00 0.00 59.98 60.07 1h0h h ARG 143 Cb 0.12 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.10 1h0h h ARG 143 CO -0.03 0.78 0.00 0.44 -1.07 0.00 0.00 179.97 180.09 1h0h n ILE 144 N -4.46 0.66 -0.02 2.04 -5.35 -0.55 -1.14 119.36 110.53 1h0h n ILE 144 Ca -0.01 -0.02 0.09 0.00 -0.27 0.00 0.00 62.75 62.55 1h0h n ILE 144 Cb 0.28 -0.83 0.21 0.00 -1.74 0.00 0.00 39.64 37.56 1h0h n ILE 144 CO 0.00 0.00 0.00 0.35 -1.76 0.00 0.00 176.55 175.14 1h0h n THR 145 N -2.12 0.75 -2.06 7.28 -2.24 -0.99 -4.35 114.28 110.55 1h0h n THR 145 Ca 0.04 -0.87 0.02 0.00 -2.27 0.00 0.00 64.05 60.97 1h0h n THR 145 Cb 0.32 0.73 0.11 0.00 -2.10 0.00 0.00 70.33 69.39 1h0h n THR 145 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1h0h n ASN 146 N 1.16 1.76 -0.09 3.42 3.02 -0.54 -4.99 115.26 119.00 1h0h n ASN 146 Ca 0.17 -3.07 -0.01 0.00 -0.03 0.00 0.00 54.58 51.64 1h0h n ASN 146 Cb 0.52 -0.43 -0.00 0.00 -0.61 0.00 0.00 39.78 39.26 1h0h n ASN 146 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1h0h n GLY 147 N -0.46 0.49 3.60 7.41 0.00 -1.17 -4.99 105.19 110.07 1h0h n GLY 147 Ca 0.16 -0.31 -0.26 0.00 0.00 0.00 0.00 46.02 45.61 1h0h n GLY 147 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1h0h s LEU 148 N -0.26 2.86 0.44 0.99 1.43 -0.29 -5.04 118.68 118.81 1h0h s LEU 148 Ca 0.00 -1.13 0.03 0.00 -1.03 0.00 0.00 54.13 51.99 1h0h s LEU 148 Cb 0.00 -1.14 0.00 0.00 0.03 0.00 0.00 46.19 45.08 1h0h s LEU 148 CO 0.00 -0.26 0.64 -0.13 0.23 0.00 0.00 176.35 176.83 1h0h s ARG 149 N -3.68 2.94 0.58 1.70 0.52 -1.26 -3.54 118.95 116.22 1h0h s ARG 149 Ca 0.34 -0.73 -0.20 0.00 -0.52 0.00 0.00 55.73 54.63 1h0h s ARG 149 Cb 0.02 -2.62 -0.05 0.00 0.52 0.00 0.00 34.95 32.82 1h0h s ARG 149 CO 0.18 -0.29 1.05 -2.30 0.02 0.00 0.00 175.30 173.96 1h0h n PRO 150 N -2.02 1.08 -0.36 3.54 -0.02 -1.26 -4.75 135.00 131.21 1h0h n PRO 150 Ca 0.03 0.41 0.02 0.00 -2.02 0.00 0.00 63.50 61.94 1h0h n PRO 150 Cb 0.58 -2.24 0.16 0.00 -0.02 0.00 0.00 33.50 31.99 1h0h n PRO 150 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1h0h h ALA 151 N 0.75 1.35 -0.55 3.55 0.00 -1.94 -0.77 119.26 121.66 1h0h h ALA 151 Ca -0.48 -0.02 -0.12 0.00 0.00 0.00 0.00 54.91 54.29 1h0h h ALA 151 Cb 1.35 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.82 1h0h h ALA 151 CO 0.53 0.43 -0.10 0.00 0.00 0.00 0.00 179.25 180.10 1h0h h VAL 153 N 0.93 1.25 -0.98 0.00 2.07 -1.79 -2.55 116.25 115.18 1h0h h VAL 153 Ca 0.14 -0.80 0.07 0.00 0.82 0.00 0.00 66.70 66.93 1h0h h VAL 153 Cb 0.68 1.60 -0.07 0.00 -1.52 0.00 0.00 31.29 31.98 1h0h h VAL 153 CO 0.05 0.23 0.63 0.74 0.02 0.00 0.00 177.57 179.24 1h0h h THR 154 N -0.11 1.07 0.00 2.57 2.02 -1.15 -2.70 112.91 114.61 1h0h h THR 154 Ca 0.03 -0.38 -0.05 0.00 0.77 0.00 0.00 66.41 66.77 1h0h h THR 154 Cb 0.35 -0.15 -0.01 0.00 -1.74 0.00 0.00 68.15 66.61 1h0h h THR 154 CO 0.01 0.20 -0.24 -1.28 0.37 0.00 0.00 175.52 174.58 1h0h h SER 155 N 1.12 0.00 -2.93 4.18 0.87 -1.07 -3.45 113.55 112.27 1h0h h SER 155 Ca 0.42 0.00 -0.55 0.00 -1.23 0.00 0.00 61.79 60.43 1h0h h SER 155 Cb 0.20 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.14 1h0h h SER 155 CO -0.17 0.24 0.83 0.00 -0.53 0.00 0.00 176.83 177.21 1h0h h PRO 157 N 7.96 0.00 -0.32 0.00 0.13 -1.89 -3.38 132.00 134.50 1h0h h PRO 157 Ca -0.35 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.78 1h0h h PRO 157 Cb 1.16 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.29 1h0h h PRO 157 CO 0.91 0.47 0.00 0.25 -0.23 0.00 0.00 178.00 179.41 1h0h n THR 158 N -3.22 0.48 -1.03 1.56 -2.24 -1.26 -4.93 114.28 103.64 1h0h n THR 158 Ca 0.02 -0.74 -0.01 0.00 -2.27 0.00 0.00 64.05 61.05 1h0h n THR 158 Cb 0.72 0.99 -0.00 0.00 -2.10 0.00 0.00 70.33 69.93 1h0h n THR 158 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1h0h n GLY 159 N 1.26 0.49 0.29 3.38 0.00 -1.26 -4.90 105.19 104.45 1h0h n GLY 159 Ca 0.17 -0.39 -0.08 0.00 0.00 0.00 0.00 46.02 45.72 1h0h n GLY 159 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1h0h h ALA 160 N 0.00 0.81 -2.88 4.61 0.00 -1.81 -3.42 119.26 116.56 1h0h h ALA 160 Ca -0.02 -0.24 -0.59 0.00 0.00 0.00 0.00 54.91 54.07 1h0h h ALA 160 Cb 0.13 -0.23 -0.08 0.00 0.00 0.00 0.00 17.79 17.61 1h0h h ALA 160 CO 0.03 0.53 -0.19 -1.64 0.00 0.00 0.00 179.25 177.98 1h0h s MET 161 N -5.29 4.21 0.02 0.00 -1.94 -1.26 -0.37 119.30 114.67 1h0h s MET 161 Ca -0.12 0.38 0.00 0.00 -1.71 0.00 0.00 55.69 54.24 1h0h s MET 161 Cb 0.13 -3.37 -0.02 0.00 2.01 0.00 0.00 34.83 33.58 1h0h s MET 161 CO 0.83 0.33 -0.03 -0.80 -0.01 0.00 0.00 175.02 175.33 1h0h s ASN 162 N 0.09 0.30 -0.00 3.03 0.01 -0.66 -4.91 114.94 112.81 1h0h s ASN 162 Ca 0.24 -0.44 -0.02 0.00 -0.71 0.00 0.00 52.86 51.93 1h0h s ASN 162 Cb -0.15 0.08 -0.00 0.00 0.41 0.00 0.00 41.25 41.58 1h0h s ASN 162 CO 0.10 -0.24 0.04 0.12 -1.51 0.00 0.00 177.10 175.61 1h0h s PHE 163 N -1.25 0.06 -1.06 2.20 5.36 -1.26 -1.52 117.98 120.50 1h0h s PHE 163 Ca -0.13 -0.11 0.00 0.00 -0.96 0.00 0.00 56.93 55.73 1h0h s PHE 163 Cb -0.09 -0.06 0.00 0.00 -0.34 0.00 0.00 43.02 42.54 1h0h s PHE 163 CO -0.01 -0.12 0.00 0.41 -1.46 0.00 0.00 175.22 174.04 1h0h n GLY 164 N 2.35 -0.59 3.76 13.12 0.00 -0.67 -5.01 105.19 118.14 1h0h n GLY 164 Ca -0.18 -0.62 -0.41 0.00 0.00 0.00 0.00 46.02 44.81 1h0h n GLY 164 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1h0h s ASP 165 N -4.00 6.48 0.19 1.61 2.15 -1.26 -0.34 116.67 121.50 1h0h s ASP 165 Ca 0.00 2.88 -0.17 0.00 0.43 0.00 0.00 52.55 55.69 1h0h s ASP 165 Cb 0.00 -2.64 0.16 0.00 -0.30 0.00 0.00 42.92 40.14 1h0h s ASP 165 CO 0.00 -0.80 1.62 0.25 -0.17 0.00 0.00 175.17 176.07 1h0h h LEU 166 N 4.12 -0.74 -0.54 -1.34 5.85 -1.19 -1.55 115.31 119.92 1h0h h LEU 166 Ca -0.48 0.18 0.10 0.00 0.84 0.00 0.00 57.88 58.52 1h0h h LEU 166 Cb 1.23 0.42 -0.08 0.00 0.37 0.00 0.00 40.66 42.60 1h0h h LEU 166 CO 0.72 -0.24 0.10 0.28 -0.34 0.00 0.00 178.44 178.96 1h0h h SER 167 N -0.09 -0.03 -0.86 1.25 0.02 -1.91 0.19 113.55 112.12 1h0h h SER 167 Ca 0.25 0.10 -0.03 0.00 -0.84 0.00 0.00 61.79 61.27 1h0h h SER 167 Cb 0.47 0.15 -0.04 0.00 0.14 0.00 0.00 62.40 63.12 1h0h h SER 167 CO -0.59 0.00 0.42 -0.33 -1.14 0.00 0.00 176.83 175.20 1h0h h GLU 168 N 0.23 1.23 -0.38 3.45 5.08 -1.69 -0.54 114.58 121.97 1h0h h GLU 168 Ca 0.28 -0.17 -0.16 0.00 -1.00 0.00 0.00 59.36 58.30 1h0h h GLU 168 Cb 0.40 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.42 1h0h h GLU 168 CO -0.37 0.94 -0.40 0.52 -1.00 0.00 0.00 179.01 178.70 1h0h h MET 169 N 1.22 0.93 -0.57 2.33 2.86 -0.72 0.05 114.93 121.03 1h0h h MET 169 Ca 0.30 -0.49 0.01 0.00 -2.06 0.00 0.00 59.70 57.45 1h0h h MET 169 Cb 0.10 0.02 -0.03 0.00 0.06 0.00 0.00 31.60 31.75 1h0h h MET 169 CO -0.04 1.15 0.37 0.93 1.06 0.00 0.00 176.91 180.38 1h0h h GLU 170 N 0.76 0.72 -0.46 1.72 5.08 -0.30 0.14 114.58 122.24 1h0h h GLU 170 Ca 0.06 -0.04 -0.08 0.00 -1.00 0.00 0.00 59.36 58.29 1h0h h GLU 170 Cb 0.99 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 30.06 1h0h h GLU 170 CO 0.10 0.48 -0.04 0.00 -1.00 0.00 0.00 179.01 178.54 1h0h h ALA 171 N 1.22 0.62 -0.15 3.43 0.00 -0.95 -2.03 119.26 121.40 1h0h h ALA 171 Ca 0.22 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1h0h h ALA 171 Cb -0.05 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 1h0h h ALA 171 CO -0.06 0.46 0.10 1.98 0.00 0.00 0.00 179.25 181.72 1h0h h MET 172 N 0.68 0.19 -0.31 0.00 1.85 -0.76 -1.27 114.93 115.31 1h0h h MET 172 Ca 0.12 -0.01 0.04 0.00 -0.61 0.00 0.00 59.70 59.24 1h0h h MET 172 Cb 0.56 -0.04 -0.04 0.00 0.43 0.00 0.00 31.60 32.51 1h0h h MET 172 CO 0.03 0.13 0.07 0.00 -0.40 0.00 0.00 176.91 176.74 1h0h h ALA 173 N 1.05 0.33 -0.47 0.39 0.00 -0.83 -0.69 119.26 119.03 1h0h h ALA 173 Ca 0.05 0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 1h0h h ALA 173 Cb -0.02 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 1h0h h ALA 173 CO -0.01 -0.34 0.28 0.77 0.00 0.00 0.00 179.25 179.95 1h0h h SER 174 N 0.18 0.57 -0.82 0.00 0.02 -1.22 -0.73 113.55 111.55 1h0h h SER 174 Ca 0.14 -0.06 -0.03 0.00 -0.84 0.00 0.00 61.79 61.00 1h0h h SER 174 Cb 0.15 -0.14 -0.04 0.00 0.14 0.00 0.00 62.40 62.51 1h0h h SER 174 CO -0.18 0.46 0.40 0.00 -1.14 0.00 0.00 176.83 176.37 1h0h h ALA 175 N 1.13 1.06 -0.34 3.77 0.00 -0.99 -1.55 119.26 122.35 1h0h h ALA 175 Ca 0.17 -0.16 -0.17 0.00 0.00 0.00 0.00 54.91 54.75 1h0h h ALA 175 Cb -0.00 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 17.46 1h0h h ALA 175 CO -0.03 0.62 -0.46 -0.09 0.00 0.00 0.00 179.25 179.29 1h0h h ARG 176 N 1.17 0.89 -0.72 0.00 9.65 -0.79 -2.11 114.38 122.47 1h0h h ARG 176 Ca 0.28 -0.51 0.04 0.00 -1.10 0.00 0.00 59.98 58.69 1h0h h ARG 176 Cb 0.11 0.04 -0.05 0.00 -1.39 0.00 0.00 29.97 28.68 1h0h h ARG 176 CO -0.04 1.16 0.45 1.25 2.80 0.00 0.00 179.97 185.59 1h0h h LEU 177 N 0.71 0.72 -1.29 3.80 5.85 -1.03 -2.29 115.31 121.77 1h0h h LEU 177 Ca 0.04 0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.76 1h0h h LEU 177 Cb 1.06 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 41.91 1h0h h LEU 177 CO 0.11 0.49 0.39 0.00 -0.34 0.00 0.00 178.44 179.08 1h0h h ALA 178 N 1.32 1.47 0.00 1.25 0.00 -0.87 -0.46 119.26 121.97 1h0h h ALA 178 Ca 0.30 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 55.10 1h0h h ALA 178 Cb 0.06 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 1h0h h ALA 178 CO -0.13 0.46 -0.17 0.93 0.00 0.00 0.00 179.25 180.34 1h0h h GLU 179 N 0.89 0.00 -0.00 0.00 5.08 -0.80 -3.23 114.58 116.51 1h0h h GLU 179 Ca 0.23 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.59 1h0h h GLU 179 Cb -0.04 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.21 1h0h h GLU 179 CO -0.04 0.17 -0.17 0.44 -1.00 0.00 0.00 179.01 178.41 1h0h n ILE 180 N -3.75 0.00 -0.34 3.13 -5.35 -1.01 -4.73 119.36 107.30 1h0h n ILE 180 Ca -0.02 -0.42 0.16 0.00 -0.27 0.00 0.00 62.75 62.21 1h0h n ILE 180 Cb 0.28 1.02 0.38 0.00 -1.74 0.00 0.00 39.64 39.58 1h0h n ILE 180 CO 0.00 0.00 0.00 0.11 -1.76 0.00 0.00 176.55 174.90 1h0h h LYS 181 N 0.19 0.62 0.51 6.28 1.79 -1.11 0.22 116.57 125.07 1h0h h LYS 181 Ca 0.00 -0.04 -0.02 0.00 -2.18 0.00 0.00 60.65 58.41 1h0h h LYS 181 Cb 0.13 -0.14 0.00 0.00 -1.58 0.00 0.00 32.23 30.64 1h0h h LYS 181 CO 0.00 0.41 -0.24 0.00 -1.08 0.00 0.00 179.45 178.54 1h0h h ALA 182 N 1.67 -0.68 -0.32 3.86 0.00 -1.85 -2.80 119.26 119.14 1h0h h ALA 182 Ca 0.60 -0.18 -0.12 0.00 0.00 0.00 0.00 54.91 55.21 1h0h h ALA 182 Cb 1.10 0.26 -0.01 0.00 0.00 0.00 0.00 17.79 19.14 1h0h h ALA 182 CO -0.39 -0.80 -0.28 0.00 0.00 0.00 0.00 179.25 177.78 1h0h h ALA 183 N -0.43 0.91 -2.97 0.00 0.00 -1.80 -3.34 119.26 111.63 1h0h h ALA 183 Ca -0.07 -0.38 -0.64 0.00 0.00 0.00 0.00 54.91 53.82 1h0h h ALA 183 Cb 0.59 -0.13 -0.40 0.00 0.00 0.00 0.00 17.79 17.84 1h0h h ALA 183 CO 0.11 0.62 -0.44 0.66 0.00 0.00 0.00 179.25 180.20 1h0h n TYR 184 N -4.09 3.52 0.26 0.00 4.01 0.74 -4.92 117.16 116.69 1h0h n TYR 184 Ca -0.00 -4.25 0.04 0.00 -0.16 0.00 0.00 57.90 53.52 1h0h n TYR 184 Cb 0.45 -0.75 0.17 0.00 -0.31 0.00 0.00 39.34 38.89 1h0h n TYR 184 CO 0.00 0.00 0.00 -1.13 -0.46 0.00 0.00 176.86 175.27 1h0h n SER 185 N 1.96 0.01 -1.13 7.72 3.41 -1.06 -0.72 113.62 123.82 1h0h n SER 185 Ca 0.21 0.50 0.08 0.00 -0.26 0.00 0.00 58.87 59.41 1h0h n SER 185 Cb 0.36 -0.51 0.27 0.00 -0.26 0.00 0.00 64.21 64.07 1h0h n SER 185 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1h0h n ASP 186 N -1.52 3.91 -4.77 4.04 9.92 -1.26 -5.00 116.55 121.87 1h0h n ASP 186 Ca 0.02 -2.33 -0.36 0.00 -0.53 0.00 0.00 54.79 51.59 1h0h n ASP 186 Cb 0.09 -0.45 -0.01 0.00 -0.64 0.00 0.00 41.12 40.12 1h0h n ASP 186 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1h0h s ALA 187 N -1.60 2.83 0.22 2.24 0.00 0.10 -3.89 121.76 121.65 1h0h s ALA 187 Ca 0.40 0.85 -0.22 0.00 0.00 0.00 0.00 51.96 52.99 1h0h s ALA 187 Cb 0.25 -3.36 0.04 0.00 0.00 0.00 0.00 23.12 20.06 1h0h s ALA 187 CO 0.21 -0.68 0.71 -1.59 0.00 0.00 0.00 175.76 174.41 1h0h s LYS 188 N -3.03 1.54 0.19 0.00 -2.85 -0.39 -4.94 119.74 110.25 1h0h s LYS 188 Ca 0.68 -0.77 -0.10 0.00 -1.00 0.00 0.00 55.97 54.78 1h0h s LYS 188 Cb -0.25 0.58 -0.07 0.00 -2.06 0.00 0.00 37.83 36.03 1h0h s LYS 188 CO 0.29 -0.69 0.52 -0.51 0.10 0.00 0.00 175.35 175.06 1h0h s LEU 189 N -2.85 4.23 -0.38 2.77 1.43 -1.26 -1.36 118.68 121.26 1h0h s LEU 189 Ca 0.08 0.91 -0.18 0.00 -1.03 0.00 0.00 54.13 53.91 1h0h s LEU 189 Cb -0.04 -3.50 0.01 0.00 0.03 0.00 0.00 46.19 42.69 1h0h s LEU 189 CO -0.00 -0.00 0.49 0.00 0.23 0.00 0.00 176.35 177.07 1h0h n ASP 191 N 5.74 -1.28 0.31 0.00 8.00 -1.26 -4.47 116.55 123.60 1h0h n ASP 191 Ca -0.05 -1.25 0.19 0.00 0.71 0.00 0.00 54.79 54.38 1h0h n ASP 191 Cb 0.48 -1.82 1.05 0.00 -0.02 0.00 0.00 41.12 40.81 1h0h n ASP 191 CO 0.00 0.00 0.00 1.55 -0.39 0.00 0.00 177.20 178.36 1h0h h PRO 192 N -2.12 0.00 0.00 -0.24 0.13 -1.93 -1.70 132.00 126.14 1h0h h PRO 192 Ca -0.68 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.45 1h0h h PRO 192 Cb 1.40 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.53 1h0h h PRO 192 CO 0.62 0.01 -0.50 -0.25 -0.23 0.00 0.00 178.00 177.65 1h0h n ASP 193 N -3.46 0.54 -0.00 1.44 8.00 -1.26 -4.42 116.55 117.38 1h0h n ASP 193 Ca -0.03 -0.02 0.05 0.00 0.71 0.00 0.00 54.79 55.50 1h0h n ASP 193 Cb 0.09 0.13 -0.06 0.00 -0.02 0.00 0.00 41.12 41.26 1h0h n ASP 193 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1h0h n ASP 194 N -1.76 1.16 -4.38 -2.24 8.00 -0.64 -4.97 116.55 111.72 1h0h n ASP 194 Ca 0.05 -0.50 -0.19 0.00 0.71 0.00 0.00 54.79 54.85 1h0h n ASP 194 Cb 0.38 1.14 -0.10 0.00 -0.02 0.00 0.00 41.12 42.51 1h0h n ASP 194 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 1h0h s VAL 195 N -2.14 1.40 -0.12 2.53 -7.23 -1.19 -1.35 120.40 112.29 1h0h s VAL 195 Ca 0.01 -2.09 0.19 0.00 -1.81 0.00 0.00 61.98 58.29 1h0h s VAL 195 Cb 0.07 -2.35 -0.23 0.00 0.56 0.00 0.00 36.38 34.43 1h0h s VAL 195 CO 0.40 -0.35 0.51 0.54 -0.31 0.00 0.00 175.10 175.88 1h0h n ARG 196 N -0.49 0.65 -3.21 4.82 1.74 -0.18 -4.72 116.66 115.28 1h0h n ARG 196 Ca -0.06 0.01 -0.44 0.00 -0.77 0.00 0.00 57.85 56.59 1h0h n ARG 196 Cb 0.63 -1.63 -0.06 0.00 -1.02 0.00 0.00 32.46 30.38 1h0h n ARG 196 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1h0h s VAL 197 N -3.04 4.98 -0.39 1.55 1.01 -0.28 -0.77 120.40 123.47 1h0h s VAL 197 Ca -0.06 -0.88 -0.14 0.00 0.00 0.00 0.00 61.98 60.89 1h0h s VAL 197 Cb 0.10 -4.32 0.01 0.00 0.00 0.00 0.00 36.38 32.17 1h0h s VAL 197 CO 0.85 -0.85 0.28 -0.63 0.00 0.00 0.00 175.10 174.75 1h0h s ILE 198 N 2.31 5.23 -0.03 2.22 1.01 -0.49 -4.88 121.20 126.57 1h0h s ILE 198 Ca 0.10 -0.56 -0.18 0.00 0.00 0.00 0.00 60.65 60.01 1h0h s ILE 198 Cb -0.23 -3.86 -0.05 0.00 0.01 0.00 0.00 42.46 38.33 1h0h s ILE 198 CO 0.08 -0.23 0.50 -0.36 0.00 0.00 0.00 174.94 174.93 1h0h s PHE 199 N 1.68 3.66 -0.20 3.97 0.40 -1.26 -0.54 117.98 125.70 1h0h s PHE 199 Ca 0.05 1.05 -0.09 0.00 -0.60 0.00 0.00 56.93 57.34 1h0h s PHE 199 Cb -0.19 -2.48 -0.05 0.00 0.51 0.00 0.00 43.02 40.81 1h0h s PHE 199 CO 0.10 0.41 0.12 -1.17 0.70 0.00 0.00 175.22 175.38 1h0h s LEU 200 N -0.31 4.14 0.17 -0.37 2.96 -0.27 -0.67 118.68 124.33 1h0h s LEU 200 Ca 0.27 0.21 0.11 0.00 -0.22 0.00 0.00 54.13 54.49 1h0h s LEU 200 Cb -0.17 -2.07 -0.04 0.00 0.50 0.00 0.00 46.19 44.41 1h0h s LEU 200 CO 0.14 0.18 -0.24 0.42 -1.32 0.00 0.00 176.35 175.54 1h0h s THR 201 N 0.34 2.22 -1.14 3.68 -4.23 -0.46 -2.67 115.64 113.38 1h0h s THR 201 Ca 0.07 -1.93 0.24 0.00 -1.18 0.00 0.00 61.69 58.89 1h0h s THR 201 Cb -0.11 -2.03 -0.04 0.00 1.34 0.00 0.00 72.50 71.66 1h0h s THR 201 CO -0.02 -0.09 1.25 0.00 -0.54 0.00 0.00 174.62 175.22 1h0h n ALA 202 N 0.46 3.88 -2.72 3.99 0.00 -1.26 -1.27 120.51 123.58 1h0h n ALA 202 Ca -0.14 -0.45 -0.16 0.00 0.00 0.00 0.00 53.44 52.69 1h0h n ALA 202 Cb 0.55 -1.00 -0.05 0.00 0.00 0.00 0.00 19.45 18.95 1h0h n ALA 202 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 1h0h s HIS 203 N -2.92 1.23 -0.47 0.00 3.76 -1.25 -2.96 115.29 112.68 1h0h s HIS 203 Ca 0.12 -1.38 -0.43 0.00 -0.15 0.00 0.00 55.06 53.22 1h0h s HIS 203 Cb 0.17 -0.25 -0.19 0.00 1.11 0.00 0.00 32.58 33.42 1h0h s HIS 203 CO 0.73 -1.05 1.70 -1.71 -0.85 0.00 0.00 174.74 173.56 1h0h n ASN 204 N -1.38 0.98 -0.39 1.40 5.15 -1.25 -4.71 115.26 115.06 1h0h n ASN 204 Ca 0.03 0.95 0.31 0.00 -0.60 0.00 0.00 54.58 55.26 1h0h n ASN 204 Cb 0.62 -0.84 0.58 0.00 -0.53 0.00 0.00 39.78 39.61 1h0h n ASN 204 CO 0.00 0.00 0.00 -0.65 1.40 0.00 0.00 177.26 178.01 1h0h h PRO 205 N 6.12 0.19 0.00 1.20 0.11 -1.93 0.30 132.00 137.99 1h0h h PRO 205 Ca -0.30 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.80 1h0h h PRO 205 Cb 1.31 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.38 1h0h h PRO 205 CO 0.96 0.13 0.00 1.63 -0.21 0.00 0.00 178.00 180.51 1h0h n LYS 206 N -4.76 0.12 0.22 1.05 5.02 -1.25 -0.83 118.16 117.72 1h0h n LYS 206 Ca 0.33 0.37 0.12 0.00 -2.02 0.00 0.00 58.31 57.12 1h0h n LYS 206 Cb 1.21 -1.74 0.19 0.00 -0.02 0.00 0.00 35.03 34.68 1h0h n LYS 206 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 1h0h h LEU 207 N 0.00 0.00 0.09 -0.35 3.38 -1.27 -3.30 115.31 113.86 1h0h h LEU 207 Ca 0.00 0.00 -0.33 0.00 0.09 0.00 0.00 57.88 57.64 1h0h h LEU 207 Cb 0.30 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.03 1h0h h LEU 207 CO 0.00 0.00 -1.79 1.88 0.09 0.00 0.00 178.44 178.62 1h0h h TYR 208 N 0.00 0.36 -1.65 1.13 -1.99 -1.09 -3.45 116.97 110.28 1h0h h TYR 208 Ca 0.00 -0.26 0.06 0.00 2.00 0.00 0.00 58.73 60.52 1h0h h TYR 208 Cb 0.97 -0.01 -0.26 0.00 2.00 0.00 0.00 36.73 39.43 1h0h h TYR 208 CO 0.00 1.70 0.39 -1.58 -0.00 0.00 0.00 178.16 178.67 1h0h s HIS 209 N -2.51 -0.55 0.61 4.88 5.65 -0.69 -4.78 115.29 117.91 1h0h s HIS 209 Ca -0.24 1.29 0.33 0.00 0.25 0.00 0.00 55.06 56.69 1h0h s HIS 209 Cb 0.06 0.36 1.94 0.00 -1.18 0.00 0.00 32.58 33.77 1h0h s HIS 209 CO 0.72 -0.27 2.25 1.05 -0.65 0.00 0.00 174.74 177.85 1h0h h GLU 210 N 4.71 0.00 -0.16 2.88 4.11 -1.84 -1.40 114.58 122.88 1h0h h GLU 210 Ca -0.28 0.00 -0.04 0.00 0.07 0.00 0.00 59.36 59.10 1h0h h GLU 210 Cb 1.18 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.40 1h0h h GLU 210 CO 0.12 0.00 -0.10 0.66 0.07 0.00 0.00 179.01 179.75 1h0h n TYR 211 N -3.62 0.52 -0.20 2.06 4.01 -1.26 -4.70 117.16 113.97 1h0h n TYR 211 Ca -0.02 -1.20 -0.01 0.00 -0.16 0.00 0.00 57.90 56.51 1h0h n TYR 211 Cb 0.13 -0.29 0.10 0.00 -0.31 0.00 0.00 39.34 38.96 1h0h n TYR 211 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1h0h h ALA 212 N 0.90 0.77 -2.28 -0.72 0.00 -1.51 -3.43 119.26 112.99 1h0h h ALA 212 Ca 0.05 0.07 -0.61 0.00 0.00 0.00 0.00 54.91 54.42 1h0h h ALA 212 Cb 1.28 0.02 -0.14 0.00 0.00 0.00 0.00 17.79 18.95 1h0h h ALA 212 CO 0.15 -0.16 -0.76 0.14 0.00 0.00 0.00 179.25 178.63 1h0h s VAL 213 N -6.10 2.45 -2.00 0.00 -7.23 -1.26 -4.86 120.40 101.40 1h0h s VAL 213 Ca -0.13 -2.38 0.14 0.00 -1.81 0.00 0.00 61.98 57.81 1h0h s VAL 213 Cb 0.16 -2.28 0.41 0.00 0.56 0.00 0.00 36.38 35.23 1h0h s VAL 213 CO 0.74 -0.38 1.28 0.00 -0.31 0.00 0.00 175.10 176.43