#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cm6 s GLN 4 N 0.00 2.79 0.45 -3.48 -0.21 -1.26 -4.95 119.66 113.00 3cm6 s GLN 4 Ca 0.00 -1.03 0.23 0.00 0.02 0.00 0.00 55.36 54.58 3cm6 s GLN 4 Cb 0.00 -3.14 1.03 0.00 1.00 0.00 0.00 33.01 31.90 3cm6 s GLN 4 CO 0.00 -0.48 1.89 0.45 -2.12 0.00 0.00 175.29 175.03 3cm6 h HIS 5 N 8.07 0.00 -3.47 0.91 3.86 -1.94 -3.42 115.15 119.16 3cm6 h HIS 5 Ca -0.29 0.00 -0.61 0.00 -1.16 0.00 0.00 60.37 58.31 3cm6 h HIS 5 Cb 1.10 0.00 -0.11 0.00 1.06 0.00 0.00 27.41 29.46 3cm6 h HIS 5 CO 0.59 0.23 0.33 0.00 0.86 0.00 0.00 177.93 179.94 3cm6 n PRO 7 N 6.13 0.45 -3.60 0.00 -0.04 -1.26 -4.80 135.00 131.88 3cm6 n PRO 7 Ca 0.02 0.01 -0.32 0.00 -0.04 0.00 0.00 63.50 63.17 3cm6 n PRO 7 Cb 0.48 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 32.39 3cm6 n PRO 7 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 3cm6 s PHE 8 N -2.53 3.49 0.10 0.54 0.08 -1.26 -5.00 117.98 113.39 3cm6 s PHE 8 Ca 0.29 0.67 0.06 0.00 0.12 0.00 0.00 56.93 58.08 3cm6 s PHE 8 Cb 0.20 -2.09 -0.22 0.00 -0.57 0.00 0.00 43.02 40.34 3cm6 s PHE 8 CO 0.44 0.42 1.21 -0.44 -0.10 0.00 0.00 175.22 176.76 3cm6 h ASP 9 N 2.99 0.04 -3.53 1.36 3.32 -1.73 -3.44 116.42 115.44 3cm6 h ASP 9 Ca -0.47 -0.04 -0.26 0.00 0.02 0.00 0.00 57.03 56.28 3cm6 h ASP 9 Cb 1.17 -0.01 -0.32 0.00 0.22 0.00 0.00 39.33 40.39 3cm6 h ASP 9 CO 0.70 1.04 -0.66 0.28 -1.72 0.00 0.00 179.24 178.88 3cm6 s THR 10 N -2.69 -0.04 -0.12 0.35 -1.32 -1.22 -1.29 115.64 109.30 3cm6 s THR 10 Ca -0.00 0.16 -0.03 0.00 -1.21 0.00 0.00 61.69 60.61 3cm6 s THR 10 Cb 0.10 -0.15 -0.03 0.00 -1.51 0.00 0.00 72.50 70.91 3cm6 s THR 10 CO 0.83 0.07 -0.01 -0.76 -2.21 0.00 0.00 174.62 172.54 3cm6 s LEU 11 N 0.93 3.48 -0.31 9.08 1.43 -0.65 -2.80 118.68 129.84 3cm6 s LEU 11 Ca -0.07 0.03 -0.07 0.00 -1.03 0.00 0.00 54.13 52.99 3cm6 s LEU 11 Cb -0.10 -1.82 0.02 0.00 0.03 0.00 0.00 46.19 44.31 3cm6 s LEU 11 CO -0.04 0.27 0.09 -0.76 0.23 0.00 0.00 176.35 176.15 3cm6 s LEU 12 N -0.25 4.02 -0.09 1.79 1.43 0.37 -0.75 118.68 125.20 3cm6 s LEU 12 Ca 0.05 -0.83 -0.30 0.00 -1.03 0.00 0.00 54.13 52.02 3cm6 s LEU 12 Cb -0.12 -1.89 -0.02 0.00 0.03 0.00 0.00 46.19 44.19 3cm6 s LEU 12 CO 0.02 -0.24 1.04 -0.63 0.23 0.00 0.00 176.35 176.78 3cm6 s ILE 13 N 1.48 4.68 0.06 -0.59 1.09 0.20 -0.28 121.20 127.84 3cm6 s ILE 13 Ca 0.01 1.96 0.09 0.00 -1.10 0.00 0.00 60.65 61.61 3cm6 s ILE 13 Cb -0.18 -4.26 -0.03 0.00 -1.06 0.00 0.00 42.46 36.93 3cm6 s ILE 13 CO 0.03 0.01 -0.25 -0.22 -0.10 0.00 0.00 174.94 174.41 3cm6 s LEU 14 N 1.99 2.20 -0.21 2.97 2.96 -0.14 -1.77 118.68 126.68 3cm6 s LEU 14 Ca 0.50 -0.61 -0.16 0.00 -0.22 0.00 0.00 54.13 53.64 3cm6 s LEU 14 Cb -0.20 -1.20 0.06 0.00 0.50 0.00 0.00 46.19 45.35 3cm6 s LEU 14 CO 0.19 0.22 0.53 -0.62 -1.32 0.00 0.00 176.35 175.35 3cm6 s ASP 15 N -1.38 -0.61 0.01 3.68 2.15 -0.39 -4.58 116.67 115.54 3cm6 s ASP 15 Ca 0.11 1.11 0.06 0.00 0.43 0.00 0.00 52.55 54.26 3cm6 s ASP 15 Cb -0.10 1.07 -0.03 0.00 -0.30 0.00 0.00 42.92 43.56 3cm6 s ASP 15 CO 0.03 -0.20 -0.16 -0.36 -0.17 0.00 0.00 175.17 174.31 3cm6 s PHE 16 N 0.78 2.64 0.09 -5.34 0.08 -1.26 -1.53 117.98 113.43 3cm6 s PHE 16 Ca -0.04 -0.21 0.07 0.00 0.12 0.00 0.00 56.93 56.88 3cm6 s PHE 16 Cb -0.05 -1.52 -0.04 0.00 -0.57 0.00 0.00 43.02 40.84 3cm6 s PHE 16 CO -0.06 0.25 -0.13 -1.21 -0.10 0.00 0.00 175.22 173.97 3cm6 s GLU 17 N -1.26 2.07 0.16 0.44 0.41 -0.45 -4.96 118.70 115.12 3cm6 s GLU 17 Ca 0.14 -1.03 0.06 0.00 -0.41 0.00 0.00 54.97 53.73 3cm6 s GLU 17 Cb -0.11 -2.25 -0.04 0.00 -1.78 0.00 0.00 34.13 29.95 3cm6 s GLU 17 CO 0.04 0.52 -0.12 0.95 -0.49 0.00 0.00 175.26 176.16 3cm6 s THR 18 N -1.12 1.38 0.57 3.63 -4.23 -1.26 0.71 115.64 115.31 3cm6 s THR 18 Ca 0.19 -2.07 -0.20 0.00 -1.18 0.00 0.00 61.69 58.42 3cm6 s THR 18 Cb -0.11 -1.88 -0.05 0.00 1.34 0.00 0.00 72.50 71.81 3cm6 s THR 18 CO 0.11 -0.66 1.19 0.35 -0.54 0.00 0.00 174.62 175.06 3cm6 n THR 19 N -0.18 3.88 -3.67 3.99 -2.24 0.32 -4.82 114.28 111.56 3cm6 n THR 19 Ca -0.10 -0.50 -0.09 0.00 -2.27 0.00 0.00 64.05 61.09 3cm6 n THR 19 Cb 0.60 -1.42 -0.02 0.00 -2.10 0.00 0.00 70.33 67.39 3cm6 n THR 19 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3cm6 s SER 20 N -1.09 -0.38 -0.32 3.42 1.04 -1.26 -4.34 113.70 110.77 3cm6 s SER 20 Ca 0.74 -0.35 -0.01 0.00 0.48 0.00 0.00 55.95 56.81 3cm6 s SER 20 Cb -0.42 0.66 0.13 0.00 0.10 0.00 0.00 66.02 66.49 3cm6 s SER 20 CO 0.47 -1.17 0.25 -0.62 0.98 0.00 0.00 173.24 173.15 3cm6 s ASP 21 N -2.85 2.36 0.17 7.02 3.68 -1.26 -4.52 116.67 121.27 3cm6 s ASP 21 Ca 0.07 -1.33 -0.09 0.00 2.13 0.00 0.00 52.55 53.33 3cm6 s ASP 21 Cb -0.03 0.10 0.22 0.00 -1.45 0.00 0.00 42.92 41.76 3cm6 s ASP 21 CO -0.02 -0.37 1.05 0.00 0.13 0.00 0.00 175.17 175.96 3cm6 n ALA 22 N 4.87 0.01 1.92 3.66 0.00 -1.26 0.10 120.51 129.81 3cm6 n ALA 22 Ca 0.02 0.70 0.12 0.00 0.00 0.00 0.00 53.44 54.27 3cm6 n ALA 22 Cb 0.43 -0.35 0.67 0.00 0.00 0.00 0.00 19.45 20.20 3cm6 n ALA 22 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3cm6 n ALA 23 N -3.68 2.63 -3.78 0.00 0.00 -1.26 -4.60 120.51 109.81 3cm6 n ALA 23 Ca 0.08 -0.19 -0.28 0.00 0.00 0.00 0.00 53.44 53.06 3cm6 n ALA 23 Cb 0.29 -1.36 -0.16 0.00 0.00 0.00 0.00 19.45 18.23 3cm6 n ALA 23 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 3cm6 s ASN 24 N -1.74 2.91 0.12 0.00 2.47 0.12 -4.56 114.94 114.25 3cm6 s ASN 24 Ca 0.36 -0.79 0.25 0.00 0.42 0.00 0.00 52.86 53.10 3cm6 s ASN 24 Cb 0.17 -0.68 0.55 0.00 -1.45 0.00 0.00 41.25 39.83 3cm6 s ASN 24 CO 0.28 -0.28 1.50 0.00 -3.72 0.00 0.00 177.10 174.88 3cm6 n GLN 25 N 4.99 0.23 -1.60 0.43 1.13 0.63 -4.29 117.38 118.90 3cm6 n GLN 25 Ca -0.09 0.10 -0.40 0.00 -1.94 0.00 0.00 57.00 54.67 3cm6 n GLN 25 Cb 0.47 -1.68 -0.02 0.00 0.11 0.00 0.00 30.24 29.12 3cm6 n GLN 25 CO 0.00 0.00 0.00 -3.47 -1.44 0.00 0.00 177.06 172.15 3cm6 n ASP 26 N -2.04 7.08 -4.09 1.08 -0.08 -1.26 -4.89 116.55 112.34 3cm6 n ASP 26 Ca 0.04 -2.77 -0.25 0.00 -1.51 0.00 0.00 54.79 50.31 3cm6 n ASP 26 Cb 0.42 -1.55 -0.16 0.00 2.34 0.00 0.00 41.12 42.17 3cm6 n ASP 26 CO 0.00 0.00 0.00 -0.47 0.12 0.00 0.00 177.20 176.85 3cm6 s TYR 27 N 1.81 1.52 -1.21 -0.67 5.04 -1.26 -4.48 117.35 118.10 3cm6 s TYR 27 Ca 0.59 -0.44 -0.16 0.00 -2.44 0.00 0.00 57.07 54.63 3cm6 s TYR 27 Cb 0.16 -1.04 0.13 0.00 0.35 0.00 0.00 41.96 41.57 3cm6 s TYR 27 CO -0.07 -0.16 1.50 -1.25 -1.34 0.00 0.00 175.55 174.23 3cm6 s PRO 28 N 0.13 4.01 0.16 4.97 0.04 -1.26 -4.85 135.00 138.19 3cm6 s PRO 28 Ca -0.05 -2.30 -0.34 0.00 0.04 0.00 0.00 61.00 58.35 3cm6 s PRO 28 Cb -0.11 -5.20 -0.14 0.00 0.04 0.00 0.00 34.50 29.09 3cm6 s PRO 28 CO 0.02 -1.92 1.59 0.00 0.04 0.00 0.00 177.00 176.72 3cm6 s GLU 30 N 0.98 2.21 0.21 0.00 2.02 -1.26 -4.57 118.70 118.29 3cm6 s GLU 30 Ca 0.79 -0.87 -0.31 0.00 0.02 0.00 0.00 54.97 54.59 3cm6 s GLU 30 Cb -0.67 -2.13 -0.11 0.00 0.10 0.00 0.00 34.13 31.32 3cm6 s GLU 30 CO 0.38 0.58 1.64 0.08 0.02 0.00 0.00 175.26 177.95 3cm6 s VAL 31 N -0.64 2.24 0.00 2.63 1.01 -1.26 -0.52 120.40 123.85 3cm6 s VAL 31 Ca 0.10 0.18 0.00 0.00 0.00 0.00 0.00 61.98 62.26 3cm6 s VAL 31 Cb -0.10 -3.11 0.00 0.00 0.00 0.00 0.00 36.38 33.16 3cm6 s VAL 31 CO -0.01 0.02 0.10 2.30 0.00 0.00 0.00 175.10 177.51 3cm6 n ILE 32 N 3.56 0.00 -3.71 2.22 -5.35 0.22 -4.52 119.36 111.77 3cm6 n ILE 32 Ca 0.13 -0.49 -0.11 0.00 -0.27 0.00 0.00 62.75 62.01 3cm6 n ILE 32 Cb 0.37 1.00 -0.12 0.00 -1.74 0.00 0.00 39.64 39.16 3cm6 n ILE 32 CO 0.00 0.00 0.00 -1.58 -1.76 0.00 0.00 176.55 173.21 3cm6 s GLN 33 N -0.78 0.33 -0.26 6.28 0.74 -0.96 -0.92 119.66 124.08 3cm6 s GLN 33 Ca 0.00 0.66 0.03 0.00 0.05 0.00 0.00 55.36 56.09 3cm6 s GLN 33 Cb 0.00 -0.03 0.06 0.00 1.10 0.00 0.00 33.01 34.14 3cm6 s GLN 33 CO 0.00 -0.15 -0.09 0.12 -0.55 0.00 0.00 175.29 174.63 3cm6 s PHE 34 N 1.19 3.19 -0.05 1.67 5.99 0.19 -1.34 117.98 128.82 3cm6 s PHE 34 Ca -0.08 -2.31 0.02 0.00 0.00 0.00 0.00 56.93 54.56 3cm6 s PHE 34 Cb -0.08 -1.97 0.01 0.00 0.00 0.00 0.00 43.02 40.98 3cm6 s PHE 34 CO -0.10 -0.87 -0.11 0.00 -0.00 0.00 0.00 175.22 174.15 3cm6 s ALA 35 N 1.13 1.10 -0.00 11.12 0.00 -0.58 -0.99 121.76 133.53 3cm6 s ALA 35 Ca -0.07 -0.36 0.00 0.00 0.00 0.00 0.00 51.96 51.54 3cm6 s ALA 35 Cb -0.20 -0.48 0.00 0.00 0.00 0.00 0.00 23.12 22.44 3cm6 s ALA 35 CO -0.06 0.12 -0.00 0.42 0.00 0.00 0.00 175.76 176.24 3cm6 s ILE 36 N 0.54 0.04 -0.02 0.00 1.01 0.13 -1.26 121.20 121.63 3cm6 s ILE 36 Ca -0.11 -0.01 0.03 0.00 0.00 0.00 0.00 60.65 60.57 3cm6 s ILE 36 Cb -0.14 -0.05 -0.00 0.00 0.01 0.00 0.00 42.46 42.28 3cm6 s ILE 36 CO 0.02 0.02 -0.12 -0.69 0.00 0.00 0.00 174.94 174.17 3cm6 s VAL 37 N 0.05 0.98 0.32 2.92 1.01 -0.73 -0.47 120.40 124.48 3cm6 s VAL 37 Ca -0.00 -0.49 -0.14 0.00 0.00 0.00 0.00 61.98 61.34 3cm6 s VAL 37 Cb -0.01 -0.84 -0.09 0.00 0.00 0.00 0.00 36.38 35.44 3cm6 s VAL 37 CO -0.00 0.29 0.72 0.00 0.00 0.00 0.00 175.10 176.11 3cm6 s ALA 38 N -0.00 3.34 -0.07 5.51 0.00 -0.78 -0.63 121.76 129.13 3cm6 s ALA 38 Ca -0.00 0.02 0.01 0.00 0.00 0.00 0.00 51.96 51.98 3cm6 s ALA 38 Cb -0.08 -2.74 0.02 0.00 0.00 0.00 0.00 23.12 20.32 3cm6 s ALA 38 CO 0.00 0.34 -0.09 -0.47 0.00 0.00 0.00 175.76 175.54 3cm6 s TYR 39 N -1.98 1.29 -0.42 0.00 5.04 0.07 -1.43 117.35 119.92 3cm6 s TYR 39 Ca 0.54 -0.50 -0.23 0.00 -2.44 0.00 0.00 57.07 54.43 3cm6 s TYR 39 Cb -0.10 -1.01 0.02 0.00 0.35 0.00 0.00 41.96 41.22 3cm6 s TYR 39 CO 0.18 -0.31 0.81 0.34 -1.34 0.00 0.00 175.55 175.23 3cm6 s ASP 40 N 0.95 6.47 -0.01 4.32 3.68 0.16 -1.64 116.67 130.60 3cm6 s ASP 40 Ca -0.10 0.07 -0.19 0.00 2.13 0.00 0.00 52.55 54.47 3cm6 s ASP 40 Cb -0.15 -2.40 -0.10 0.00 -1.45 0.00 0.00 42.92 38.82 3cm6 s ASP 40 CO 0.00 -0.88 0.86 0.58 0.13 0.00 0.00 175.17 175.86 3cm6 h VAL 41 N 5.93 0.00 -0.97 1.11 2.07 -1.47 -1.53 116.25 121.38 3cm6 h VAL 41 Ca -0.25 -0.37 0.13 0.00 0.82 0.00 0.00 66.70 67.04 3cm6 h VAL 41 Cb 1.09 0.00 -0.09 0.00 -1.52 0.00 0.00 31.29 30.77 3cm6 h VAL 41 CO 0.96 0.00 0.60 -0.65 0.02 0.00 0.00 177.57 178.49 3cm6 h PRO 42 N -1.05 0.87 -0.16 1.57 0.11 -1.85 -1.42 132.00 130.07 3cm6 h PRO 42 Ca -0.07 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.99 3cm6 h PRO 42 Cb 0.52 -0.20 0.00 0.00 0.11 0.00 0.00 31.00 31.43 3cm6 h PRO 42 CO 0.11 0.58 0.00 0.09 -0.21 0.00 0.00 178.00 178.57 3cm6 n ASN 43 N -4.68 1.75 -4.04 -2.05 3.02 -1.25 -4.96 115.26 103.05 3cm6 n ASN 43 Ca 0.19 -1.71 -0.32 0.00 -0.03 0.00 0.00 54.58 52.72 3cm6 n ASN 43 Cb 0.40 -0.10 -0.03 0.00 -0.61 0.00 0.00 39.78 39.44 3cm6 n ASN 43 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 3cm6 n ASP 44 N 0.38 -1.34 -4.03 6.41 2.03 -0.54 -4.97 116.55 114.49 3cm6 n ASP 44 Ca 0.16 -1.14 -0.28 0.00 0.52 0.00 0.00 54.79 54.05 3cm6 n ASP 44 Cb 0.35 -2.43 -0.17 0.00 -0.72 0.00 0.00 41.12 38.15 3cm6 n ASP 44 CO 0.00 0.00 0.00 -0.75 -1.92 0.00 0.00 177.20 174.53 3cm6 s LYS 45 N -6.87 2.12 -0.33 -0.67 2.20 -0.66 -4.96 119.74 110.57 3cm6 s LYS 45 Ca 0.16 -0.52 -0.29 0.00 -0.36 0.00 0.00 55.97 54.96 3cm6 s LYS 45 Cb -0.07 -1.85 -0.00 0.00 -1.51 0.00 0.00 37.83 34.39 3cm6 s LYS 45 CO 0.93 -0.10 1.49 0.42 -0.36 0.00 0.00 175.35 177.74 3cm6 s ILE 46 N 1.09 3.84 -0.85 5.43 1.01 -1.26 0.40 121.20 130.87 3cm6 s ILE 46 Ca -0.05 0.91 -0.17 0.00 0.00 0.00 0.00 60.65 61.34 3cm6 s ILE 46 Cb -0.14 -3.99 0.16 0.00 0.01 0.00 0.00 42.46 38.49 3cm6 s ILE 46 CO -0.03 -0.53 0.95 -0.13 0.00 0.00 0.00 174.94 175.20 3cm6 s ARG 47 N 4.81 3.52 0.00 2.79 1.81 -0.51 -4.86 118.95 126.51 3cm6 s ARG 47 Ca 0.65 -1.92 0.18 0.00 -1.72 0.00 0.00 55.73 52.93 3cm6 s ARG 47 Cb -0.18 -4.66 0.83 0.00 -0.45 0.00 0.00 34.95 30.49 3cm6 s ARG 47 CO 0.30 -1.59 1.58 0.39 -0.68 0.00 0.00 175.30 175.30 3cm6 n GLU 48 N 5.70 0.08 0.00 3.54 1.02 -1.26 -2.45 120.64 127.27 3cm6 n GLU 48 Ca 0.16 0.16 0.10 0.00 -0.02 0.00 0.00 57.16 57.57 3cm6 n GLU 48 Cb 0.47 -1.50 -0.05 0.00 -0.02 0.00 0.00 31.44 30.34 3cm6 n GLU 48 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 3cm6 n ASP 49 N -1.43 0.88 -4.24 1.62 5.68 -1.26 -4.61 116.55 113.19 3cm6 n ASP 49 Ca 0.06 -0.83 -0.41 0.00 -0.50 0.00 0.00 54.79 53.11 3cm6 n ASP 49 Cb 0.19 0.89 -0.09 0.00 -1.14 0.00 0.00 41.12 40.97 3cm6 n ASP 49 CO 0.00 0.00 0.00 -0.63 -1.33 0.00 0.00 177.20 175.24 3cm6 s ILE 50 N -3.02 4.25 0.14 2.12 1.01 -1.02 -5.04 121.20 119.64 3cm6 s ILE 50 Ca 0.08 -1.58 -0.19 0.00 0.00 0.00 0.00 60.65 58.96 3cm6 s ILE 50 Cb 0.16 -3.70 0.05 0.00 0.01 0.00 0.00 42.46 38.98 3cm6 s ILE 50 CO 0.84 -0.65 0.48 -0.94 0.00 0.00 0.00 174.94 174.67 3cm6 s SER 51 N 2.42 -0.36 -0.03 3.58 1.04 -1.26 -1.86 113.70 117.23 3cm6 s SER 51 Ca 0.04 -0.19 0.01 0.00 0.48 0.00 0.00 55.95 56.29 3cm6 s SER 51 Cb -0.25 0.52 0.02 0.00 0.10 0.00 0.00 66.02 66.41 3cm6 s SER 51 CO 0.01 -0.89 -0.03 0.12 0.98 0.00 0.00 173.24 173.42 3cm6 s PHE 52 N -3.76 0.53 -0.37 5.02 5.36 0.38 -4.96 117.98 120.18 3cm6 s PHE 52 Ca 0.02 -0.11 0.05 0.00 -0.96 0.00 0.00 56.93 55.93 3cm6 s PHE 52 Cb 0.01 -0.48 0.17 0.00 -0.34 0.00 0.00 43.02 42.38 3cm6 s PHE 52 CO -0.12 -0.12 0.49 1.21 -1.46 0.00 0.00 175.22 175.22 3cm6 s ASN 53 N 0.65 -0.13 -0.03 6.13 3.84 -1.25 0.19 114.94 124.34 3cm6 s ASN 53 Ca -0.08 -1.00 0.04 0.00 0.21 0.00 0.00 52.86 52.03 3cm6 s ASN 53 Cb -0.11 1.26 -0.00 0.00 -0.55 0.00 0.00 41.25 41.85 3cm6 s ASN 53 CO -0.00 -0.24 -0.13 -0.54 -2.79 0.00 0.00 177.10 173.39 3cm6 s LYS 54 N 1.84 1.27 0.56 0.43 -0.14 -0.16 -4.99 119.74 118.55 3cm6 s LYS 54 Ca 0.15 -0.47 -0.19 0.00 -1.36 0.00 0.00 55.97 54.11 3cm6 s LYS 54 Cb -0.10 -1.17 -0.05 0.00 -1.68 0.00 0.00 37.83 34.83 3cm6 s LYS 54 CO -0.10 0.22 1.12 0.71 -0.76 0.00 0.00 175.35 176.54 3cm6 s TYR 55 N -0.04 2.70 -0.04 3.18 2.02 -1.26 -0.63 117.35 123.27 3cm6 s TYR 55 Ca -0.00 1.55 0.05 0.00 -0.37 0.00 0.00 57.07 58.29 3cm6 s TYR 55 Cb -0.08 -3.25 -0.01 0.00 -0.40 0.00 0.00 41.96 38.23 3cm6 s TYR 55 CO 0.01 -1.52 -0.18 0.08 -1.57 0.00 0.00 175.55 172.37 3cm6 s VAL 56 N -1.89 1.45 -0.28 0.71 1.01 -0.10 -4.28 120.40 117.02 3cm6 s VAL 56 Ca 0.71 -0.74 -0.21 0.00 0.00 0.00 0.00 61.98 61.74 3cm6 s VAL 56 Cb -0.23 -1.24 -0.01 0.00 0.00 0.00 0.00 36.38 34.91 3cm6 s VAL 56 CO 0.29 0.42 0.67 -0.75 0.00 0.00 0.00 175.10 175.73 3cm6 s LYS 57 N -0.06 4.01 0.86 2.72 2.20 0.13 -4.38 119.74 125.21 3cm6 s LYS 57 Ca -0.02 0.48 -0.11 0.00 -0.36 0.00 0.00 55.97 55.97 3cm6 s LYS 57 Cb -0.11 -3.69 0.11 0.00 -1.51 0.00 0.00 37.83 32.63 3cm6 s LYS 57 CO 0.02 -0.53 1.10 -2.14 -0.36 0.00 0.00 175.35 173.43 3cm6 s PRO 58 N 2.65 1.55 -0.01 4.03 0.02 -1.26 -4.17 135.00 137.80 3cm6 s PRO 58 Ca 0.27 1.14 0.07 0.00 0.02 0.00 0.00 61.00 62.50 3cm6 s PRO 58 Cb -0.15 -1.82 -0.10 0.00 0.02 0.00 0.00 34.50 32.45 3cm6 s PRO 58 CO 0.10 -2.13 0.13 1.33 -0.33 0.00 0.00 177.00 176.11 3cm6 n VAL 59 N -3.85 0.04 -0.07 3.83 0.24 -1.26 -4.60 118.33 112.66 3cm6 n VAL 59 Ca 0.09 -0.16 -0.22 0.00 -2.04 0.00 0.00 64.34 62.00 3cm6 n VAL 59 Cb 0.53 0.24 -0.12 0.00 -1.47 0.00 0.00 33.84 33.02 3cm6 n VAL 59 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 3cm6 n LEU 60 N -1.78 2.28 -3.71 1.34 4.32 -1.26 -4.69 117.00 113.51 3cm6 n LEU 60 Ca -0.02 0.28 -0.29 0.00 -0.02 0.00 0.00 56.01 55.96 3cm6 n LEU 60 Cb 0.22 -1.01 -0.12 0.00 -1.62 0.00 0.00 43.42 40.89 3cm6 n LEU 60 CO 0.14 0.60 -0.21 0.20 -1.22 0.00 0.00 177.39 176.90 3cm6 s ASN 61 N -6.97 3.56 0.49 -1.43 -0.87 -1.26 -4.97 114.94 103.49 3cm6 s ASN 61 Ca -0.28 -2.98 0.29 0.00 -1.57 0.00 0.00 52.86 48.32 3cm6 s ASN 61 Cb 0.07 -1.09 1.04 0.00 -0.02 0.00 0.00 41.25 41.26 3cm6 s ASN 61 CO 0.65 -0.21 1.87 0.03 -2.57 0.00 0.00 177.10 176.87 3cm6 h ARG 62 N 6.25 0.00 -4.90 -0.60 3.08 -1.83 -3.42 114.38 112.96 3cm6 h ARG 62 Ca 0.07 0.00 -0.65 0.00 0.07 0.00 0.00 59.98 59.46 3cm6 h ARG 62 Cb 0.89 0.00 -0.21 0.00 0.08 0.00 0.00 29.97 30.72 3cm6 h ARG 62 CO 0.52 0.09 -0.59 0.99 -1.07 0.00 0.00 179.97 179.91 3cm6 s THR 63 N -3.58 4.56 0.03 2.04 2.01 -1.26 -4.88 115.64 114.56 3cm6 s THR 63 Ca 0.02 -0.16 -0.30 0.00 0.31 0.00 0.00 61.69 61.55 3cm6 s THR 63 Cb 0.09 -3.19 -0.07 0.00 0.01 0.00 0.00 72.50 69.34 3cm6 s THR 63 CO 0.60 0.26 1.54 -0.76 -0.69 0.00 0.00 174.62 175.57 3cm6 s LEU 64 N 1.64 4.34 0.28 4.42 1.02 -1.26 -4.96 118.68 124.16 3cm6 s LEU 64 Ca 0.06 2.31 -0.28 0.00 0.02 0.00 0.00 54.13 56.24 3cm6 s LEU 64 Cb -0.16 -3.56 -0.15 0.00 0.02 0.00 0.00 46.19 42.35 3cm6 s LEU 64 CO 0.06 -0.82 0.88 0.41 0.02 0.00 0.00 176.35 176.90 3cm6 n THR 65 N 4.75 2.00 -0.29 5.49 -1.04 -1.26 -4.83 114.28 119.09 3cm6 n THR 65 Ca 0.15 -0.50 -0.05 0.00 -2.04 0.00 0.00 64.05 61.61 3cm6 n THR 65 Cb 0.42 -0.75 0.07 0.00 -1.82 0.00 0.00 70.33 68.25 3cm6 n THR 65 CO 0.00 0.00 0.00 0.50 -0.64 0.00 0.00 175.07 174.93 3cm6 h LYS 66 N 1.69 1.08 0.00 -2.82 3.11 -1.92 -1.22 116.57 116.49 3cm6 h LYS 66 Ca -0.37 -0.10 0.00 0.00 -2.81 0.00 0.00 60.65 57.37 3cm6 h LYS 66 Cb 1.37 -0.23 0.00 0.00 -1.00 0.00 0.00 32.23 32.37 3cm6 h LYS 66 CO 0.59 0.76 0.00 -2.95 -2.81 0.00 0.00 179.45 175.04 3cm6 h ASN 67 N 1.09 0.00 0.15 4.20 7.08 -1.92 -1.53 115.58 124.65 3cm6 h ASN 67 Ca 0.29 0.00 -0.21 0.00 -3.08 0.00 0.00 56.30 53.29 3cm6 h ASN 67 Cb -0.04 0.00 0.02 0.00 -2.08 0.00 0.00 38.32 36.22 3cm6 h ASN 67 CO -0.05 0.00 -0.92 0.00 -2.08 0.00 0.00 177.43 174.38 3cm6 h VAL 69 N -0.24 1.25 -0.34 0.00 -1.51 -1.01 -0.07 116.25 114.34 3cm6 h VAL 69 Ca -0.16 -1.16 -0.07 0.00 -1.23 0.00 0.00 66.70 64.08 3cm6 h VAL 69 Cb 1.71 1.35 -0.01 0.00 -2.13 0.00 0.00 31.29 32.21 3cm6 h VAL 69 CO 0.17 0.36 -0.08 0.44 -1.23 0.00 0.00 177.57 177.24 3cm6 h ASP 70 N 0.33 0.66 0.03 4.19 3.45 -1.37 0.27 116.42 123.98 3cm6 h ASP 70 Ca 0.05 -0.36 -0.00 0.00 0.43 0.00 0.00 57.03 57.15 3cm6 h ASP 70 Cb 0.60 -0.18 0.00 0.00 -0.56 0.00 0.00 39.33 39.19 3cm6 h ASP 70 CO 0.04 0.87 -0.01 0.15 -1.57 0.00 0.00 179.24 178.71 3cm6 h PHE 71 N 0.44 -0.04 0.00 4.55 3.57 -1.26 -3.34 116.94 120.86 3cm6 h PHE 71 Ca 0.09 -0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.52 3cm6 h PHE 71 Cb 0.58 0.01 -0.01 0.00 2.79 0.00 0.00 35.95 39.32 3cm6 h PHE 71 CO 0.05 0.18 -1.27 0.25 -2.23 0.00 0.00 178.31 175.29 3cm6 n THR 72 N -5.01 0.75 -0.31 4.41 -2.24 -0.05 -4.76 114.28 107.07 3cm6 n THR 72 Ca -0.08 -0.60 0.00 0.00 -2.27 0.00 0.00 64.05 61.10 3cm6 n THR 72 Cb 0.14 -0.43 0.00 0.00 -2.10 0.00 0.00 70.33 67.94 3cm6 n THR 72 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3cm6 n GLY 73 N 1.27 2.35 3.67 3.38 0.00 0.94 -4.17 105.19 112.62 3cm6 n GLY 73 Ca -0.04 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.55 3cm6 n GLY 73 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3cm6 s ILE 74 N -3.29 4.14 0.32 -0.61 1.01 -1.25 -5.00 121.20 116.53 3cm6 s ILE 74 Ca 0.00 1.43 -0.15 0.00 0.00 0.00 0.00 60.65 61.93 3cm6 s ILE 74 Cb 0.00 -3.92 -0.09 0.00 0.01 0.00 0.00 42.46 38.46 3cm6 s ILE 74 CO 0.00 -0.08 0.74 -2.16 0.00 0.00 0.00 174.94 173.44 3cm6 s PRO 75 N 3.06 4.01 0.38 2.79 0.04 -1.26 -4.52 135.00 139.49 3cm6 s PRO 75 Ca 0.58 0.67 0.17 0.00 0.04 0.00 0.00 61.00 62.46 3cm6 s PRO 75 Cb -0.25 -2.44 1.06 0.00 0.04 0.00 0.00 34.50 32.92 3cm6 s PRO 75 CO 0.19 0.16 1.76 0.37 0.04 0.00 0.00 177.00 179.52 3cm6 h GLN 76 N 2.27 0.42 -0.61 4.56 5.75 -1.96 -1.77 115.11 123.77 3cm6 h GLN 76 Ca -0.48 -0.03 0.06 0.00 -0.15 0.00 0.00 58.65 58.05 3cm6 h GLN 76 Cb 1.17 -0.09 -0.04 0.00 1.07 0.00 0.00 27.48 29.59 3cm6 h GLN 76 CO 0.65 0.28 0.40 0.07 -2.65 0.00 0.00 178.83 177.58 3cm6 h ARG 77 N 0.43 0.59 0.00 1.69 0.11 -2.00 -2.07 114.38 113.14 3cm6 h ARG 77 Ca 0.61 -0.04 -0.11 0.00 0.10 0.00 0.00 59.98 60.54 3cm6 h ARG 77 Cb 1.46 -0.13 -0.02 0.00 1.11 0.00 0.00 29.97 32.39 3cm6 h ARG 77 CO -0.34 0.39 -0.53 0.77 0.10 0.00 0.00 179.97 180.37 3cm6 h SER 78 N 0.61 0.00 0.92 0.08 0.02 -1.72 -2.80 113.55 110.66 3cm6 h SER 78 Ca 0.26 0.00 -0.20 0.00 -0.84 0.00 0.00 61.79 61.01 3cm6 h SER 78 Cb 0.25 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.76 3cm6 h SER 78 CO -0.08 0.53 -1.15 0.16 -1.14 0.00 0.00 176.83 175.15 3cm6 h ILE 79 N 0.00 1.06 0.00 3.27 -0.00 -1.52 -3.15 117.51 117.18 3cm6 h ILE 79 Ca -0.01 -2.69 -0.04 0.00 -0.00 0.00 0.00 64.86 62.12 3cm6 h ILE 79 Cb 1.05 2.48 -0.01 0.00 -0.00 0.00 0.00 36.82 40.35 3cm6 h ILE 79 CO 0.07 0.61 -0.21 0.44 -0.00 0.00 0.00 178.15 179.06 3cm6 h ASP 80 N 0.00 0.00 0.07 2.16 3.45 -1.25 -2.67 116.42 118.19 3cm6 h ASP 80 Ca -0.11 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.35 3cm6 h ASP 80 Cb 1.71 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 40.48 3cm6 h ASP 80 CO 0.09 0.21 -0.42 0.35 -1.57 0.00 0.00 179.24 177.89 3cm6 n THR 81 N -3.38 0.00 -1.73 0.35 -2.24 -1.07 -4.99 114.28 101.23 3cm6 n THR 81 Ca 0.00 -0.20 -0.31 0.00 -2.27 0.00 0.00 64.05 61.27 3cm6 n THR 81 Cb 0.42 0.95 0.03 0.00 -2.10 0.00 0.00 70.33 69.63 3cm6 n THR 81 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3cm6 s ALA 82 N -2.51 2.81 0.61 6.98 0.00 -1.00 -5.06 121.76 123.59 3cm6 s ALA 82 Ca 0.20 0.07 -0.08 0.00 0.00 0.00 0.00 51.96 52.15 3cm6 s ALA 82 Cb 0.18 -3.15 -0.01 0.00 0.00 0.00 0.00 23.12 20.15 3cm6 s ALA 82 CO 0.57 -1.00 0.97 -0.51 0.00 0.00 0.00 175.76 175.78 3cm6 s ASP 83 N -3.78 5.78 0.99 0.00 1.01 -1.26 -4.36 116.67 115.05 3cm6 s ASP 83 Ca 0.58 1.01 -0.14 0.00 0.71 0.00 0.00 52.55 54.71 3cm6 s ASP 83 Cb -0.13 -2.01 0.18 0.00 1.01 0.00 0.00 42.92 41.98 3cm6 s ASP 83 CO 0.52 -1.03 1.13 0.42 0.21 0.00 0.00 175.17 176.42 3cm6 s THR 84 N -3.10 1.94 0.21 -1.27 -4.23 -1.26 0.21 115.64 108.13 3cm6 s THR 84 Ca 0.54 0.00 -0.08 0.00 -1.18 0.00 0.00 61.69 60.97 3cm6 s THR 84 Cb -0.11 -2.64 0.15 0.00 1.34 0.00 0.00 72.50 71.24 3cm6 s THR 84 CO 0.49 0.00 1.77 0.15 -0.54 0.00 0.00 174.62 176.48 3cm6 h PHE 85 N -1.82 1.20 -0.61 3.99 3.57 -1.93 -1.56 116.94 119.78 3cm6 h PHE 85 Ca -0.51 -0.10 0.04 0.00 3.53 0.00 0.00 57.97 60.94 3cm6 h PHE 85 Cb 1.32 -0.36 -0.03 0.00 2.79 0.00 0.00 35.95 39.67 3cm6 h PHE 85 CO -0.20 0.92 0.40 0.38 -2.23 0.00 0.00 178.31 177.59 3cm6 h ASP 86 N 1.14 0.59 0.08 0.41 2.03 -1.93 0.58 116.42 119.32 3cm6 h ASP 86 Ca 0.26 -0.00 -0.13 0.00 -0.73 0.00 0.00 57.03 56.43 3cm6 h ASP 86 Cb 0.24 -0.13 0.01 0.00 -0.83 0.00 0.00 39.33 38.62 3cm6 h ASP 86 CO -0.02 0.40 -0.54 0.58 -1.03 0.00 0.00 179.24 178.63 3cm6 h VAL 87 N 0.68 1.58 -0.33 4.15 2.07 -1.85 -2.46 116.25 120.09 3cm6 h VAL 87 Ca 0.25 -2.39 -0.07 0.00 0.82 0.00 0.00 66.70 65.32 3cm6 h VAL 87 Cb 0.14 3.15 -0.02 0.00 -1.52 0.00 0.00 31.29 33.04 3cm6 h VAL 87 CO -0.07 0.66 -0.08 0.58 0.02 0.00 0.00 177.57 178.68 3cm6 h VAL 88 N -0.51 1.22 -0.71 2.57 2.07 -0.98 -2.03 116.25 117.88 3cm6 h VAL 88 Ca -0.09 -0.96 -0.07 0.00 0.82 0.00 0.00 66.70 66.40 3cm6 h VAL 88 Cb 1.39 1.06 -0.03 0.00 -1.52 0.00 0.00 31.29 32.19 3cm6 h VAL 88 CO 0.10 0.32 0.18 0.22 0.02 0.00 0.00 177.57 178.41 3cm6 h TYR 89 N 0.51 1.19 0.00 1.57 3.20 0.13 -1.88 116.97 121.69 3cm6 h TYR 89 Ca 0.10 -0.14 -0.09 0.00 3.14 0.00 0.00 58.73 61.74 3cm6 h TYR 89 Cb 0.45 -0.34 -0.01 0.00 1.54 0.00 0.00 36.73 38.37 3cm6 h TYR 89 CO 0.02 0.96 -0.44 1.49 -1.64 0.00 0.00 178.16 178.55 3cm6 h GLU 90 N 1.07 0.00 -0.23 1.82 4.57 -1.20 -1.56 114.58 119.05 3cm6 h GLU 90 Ca 0.22 0.00 -0.06 0.00 -1.18 0.00 0.00 59.36 58.34 3cm6 h GLU 90 Cb 0.37 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.95 3cm6 h GLU 90 CO 0.00 0.44 -0.10 1.96 -1.18 0.00 0.00 179.01 180.13 3cm6 h GLN 91 N 0.00 0.47 -0.30 1.92 4.20 -1.08 -1.29 115.11 119.03 3cm6 h GLN 91 Ca -0.00 -0.20 0.06 0.00 0.06 0.00 0.00 58.65 58.57 3cm6 h GLN 91 Cb 0.79 -0.02 -0.06 0.00 0.30 0.00 0.00 27.48 28.49 3cm6 h GLN 91 CO 0.06 0.74 -0.10 0.35 -0.67 0.00 0.00 178.83 179.20 3cm6 h PHE 92 N 0.19 -0.23 -0.92 2.96 3.57 -1.18 0.36 116.94 121.69 3cm6 h PHE 92 Ca 0.05 0.03 0.12 0.00 3.53 0.00 0.00 57.97 61.70 3cm6 h PHE 92 Cb 0.59 0.15 -0.08 0.00 2.79 0.00 0.00 35.95 39.39 3cm6 h PHE 92 CO 0.06 -0.16 0.55 1.96 -2.23 0.00 0.00 178.31 178.48 3cm6 h GLN 93 N -0.04 0.84 -0.42 1.11 4.20 -1.12 -0.86 115.11 118.82 3cm6 h GLN 93 Ca 0.15 -0.05 -0.13 0.00 0.06 0.00 0.00 58.65 58.68 3cm6 h GLN 93 Cb 0.27 -0.19 -0.01 0.00 0.30 0.00 0.00 27.48 27.84 3cm6 h GLN 93 CO -0.33 0.56 -0.24 0.37 -0.67 0.00 0.00 178.83 178.52 3cm6 h GLN 94 N 0.87 0.86 -0.29 1.46 5.75 -0.17 -2.84 115.11 120.75 3cm6 h GLN 94 Ca 0.46 -0.36 -0.01 0.00 -0.15 0.00 0.00 58.65 58.58 3cm6 h GLN 94 Cb 0.47 -0.03 -0.01 0.00 1.07 0.00 0.00 27.48 28.98 3cm6 h GLN 94 CO -0.27 1.00 0.13 2.35 -2.65 0.00 0.00 178.83 179.39 3cm6 h TRP 95 N 0.74 0.42 -0.41 3.99 7.01 0.94 -1.46 115.95 127.19 3cm6 h TRP 95 Ca 0.10 -0.02 0.08 0.00 2.11 0.00 0.00 58.89 61.15 3cm6 h TRP 95 Cb 0.78 -0.13 -0.07 0.00 -2.10 0.00 0.00 29.16 27.64 3cm6 h TRP 95 CO 0.04 0.40 -0.05 -0.07 -2.79 0.00 0.00 178.44 175.97 3cm6 h LEU 96 N 0.33 -0.27 0.15 0.65 3.38 -1.18 -1.89 115.31 116.48 3cm6 h LEU 96 Ca 0.10 0.11 0.01 0.00 0.09 0.00 0.00 57.88 58.18 3cm6 h LEU 96 Cb 0.14 0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.08 3cm6 h LEU 96 CO -0.01 -0.09 -0.16 0.40 0.09 0.00 0.00 178.44 178.67 3cm6 h ILE 97 N 0.06 0.64 -0.21 1.22 2.04 -1.26 -2.55 117.51 117.44 3cm6 h ILE 97 Ca 0.20 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 66.05 3cm6 h ILE 97 Cb 0.30 0.64 -0.01 0.00 -0.74 0.00 0.00 36.82 37.01 3cm6 h ILE 97 CO -0.38 0.00 0.11 0.71 0.00 0.00 0.00 178.15 178.59 3cm6 h THR 98 N -0.35 1.08 0.00 -0.27 1.35 -0.96 0.28 112.91 114.04 3cm6 h THR 98 Ca 0.01 -0.21 0.00 0.00 -0.55 0.00 0.00 66.41 65.66 3cm6 h THR 98 Cb 0.33 0.80 0.00 0.00 -1.73 0.00 0.00 68.15 67.55 3cm6 h THR 98 CO -0.05 0.09 0.00 0.18 -0.25 0.00 0.00 175.52 175.49 3cm6 n LEU 99 N -4.47 0.36 -2.94 3.87 4.77 -0.74 -4.93 117.00 112.92 3cm6 n LEU 99 Ca 0.00 0.57 -0.13 0.00 -0.03 0.00 0.00 56.01 56.42 3cm6 n LEU 99 Cb 0.10 -0.51 0.07 0.00 -2.33 0.00 0.00 43.42 40.75 3cm6 n LEU 99 CO 0.35 -0.34 0.08 0.61 -1.33 0.00 0.00 177.39 176.76 3cm6 n GLY 100 N 0.32 -0.31 3.58 -0.72 0.00 0.09 -4.99 105.19 103.15 3cm6 n GLY 100 Ca 0.04 0.07 -0.40 0.00 0.00 0.00 0.00 46.02 45.73 3cm6 n GLY 100 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3cm6 s LEU 101 N -5.39 4.20 -0.28 0.99 1.43 -1.17 -5.04 118.68 113.42 3cm6 s LEU 101 Ca 0.07 0.02 -0.29 0.00 -1.03 0.00 0.00 54.13 52.90 3cm6 s LEU 101 Cb -0.01 -2.34 -0.01 0.00 0.03 0.00 0.00 46.19 43.87 3cm6 s LEU 101 CO 0.59 -0.23 1.39 -0.70 0.23 0.00 0.00 176.35 177.64 3cm6 s GLU 102 N 2.00 3.88 0.26 1.70 2.12 -1.26 -4.89 118.70 122.51 3cm6 s GLU 102 Ca 0.12 1.37 -0.27 0.00 0.36 0.00 0.00 54.97 56.55 3cm6 s GLU 102 Cb -0.16 -3.92 -0.15 0.00 0.26 0.00 0.00 34.13 30.15 3cm6 s GLU 102 CO 0.11 -1.17 0.73 -0.85 -0.54 0.00 0.00 175.26 173.54 3cm6 n GLU 103 N 7.41 0.65 0.00 4.30 0.28 -1.26 -0.93 120.64 131.09 3cm6 n GLU 103 Ca 0.16 0.23 0.00 0.00 -0.16 0.00 0.00 57.16 57.39 3cm6 n GLU 103 Cb 0.46 -1.42 0.00 0.00 1.43 0.00 0.00 31.44 31.91 3cm6 n GLU 103 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 3cm6 n GLY 104 N 1.64 2.45 0.43 -1.84 0.00 -1.26 -4.79 105.19 101.83 3cm6 n GLY 104 Ca 0.13 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.20 3cm6 n GLY 104 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3cm6 n LYS 105 N -2.00 1.31 -4.25 1.61 4.76 -0.11 -4.93 118.16 114.56 3cm6 n LYS 105 Ca 0.00 -1.41 -0.16 0.00 -2.87 0.00 0.00 58.31 53.88 3cm6 n LYS 105 Cb 0.00 -1.19 -0.10 0.00 -1.84 0.00 0.00 35.03 31.89 3cm6 n LYS 105 CO 0.00 0.00 0.00 -0.59 -1.37 0.00 0.00 177.40 175.44 3cm6 s PHE 106 N -0.86 1.31 0.02 2.13 -0.71 -1.24 -2.07 117.98 116.56 3cm6 s PHE 106 Ca 0.14 -0.67 -0.04 0.00 -1.04 0.00 0.00 56.93 55.32 3cm6 s PHE 106 Cb 0.09 -0.67 -0.01 0.00 -1.21 0.00 0.00 43.02 41.21 3cm6 s PHE 106 CO 0.12 0.11 0.06 0.00 -1.34 0.00 0.00 175.22 174.17 3cm6 s ALA 107 N -2.85 -0.06 0.20 1.99 0.00 -1.12 -5.00 121.76 114.92 3cm6 s ALA 107 Ca 0.13 -0.45 -0.23 0.00 0.00 0.00 0.00 51.96 51.41 3cm6 s ALA 107 Cb -0.01 0.16 -0.08 0.00 0.00 0.00 0.00 23.12 23.20 3cm6 s ALA 107 CO 0.02 -0.22 0.78 -0.06 0.00 0.00 0.00 175.76 176.27 3cm6 s PHE 108 N -1.79 3.80 -0.16 0.00 0.08 -1.26 -0.48 117.98 118.17 3cm6 s PHE 108 Ca -0.12 1.57 0.01 0.00 0.12 0.00 0.00 56.93 58.50 3cm6 s PHE 108 Cb -0.06 -2.73 0.00 0.00 -0.57 0.00 0.00 43.02 39.66 3cm6 s PHE 108 CO -0.01 0.42 -0.17 0.08 -0.10 0.00 0.00 175.22 175.44 3cm6 s VAL 109 N -1.33 2.50 0.25 -0.44 1.01 0.61 -0.68 120.40 122.33 3cm6 s VAL 109 Ca 0.40 -0.82 0.08 0.00 0.00 0.00 0.00 61.98 61.63 3cm6 s VAL 109 Cb -0.20 -2.05 -0.05 0.00 0.00 0.00 0.00 36.38 34.08 3cm6 s VAL 109 CO 0.24 0.52 -0.12 0.00 0.00 0.00 0.00 175.10 175.75 3cm6 n ASP 111 N -0.51 0.83 -3.27 0.00 3.85 -1.26 -0.32 116.55 115.87 3cm6 n ASP 111 Ca -0.06 -0.83 -0.05 0.00 -0.71 0.00 0.00 54.79 53.14 3cm6 n ASP 111 Cb 0.62 0.04 0.02 0.00 -1.35 0.00 0.00 41.12 40.44 3cm6 n ASP 111 CO 0.00 0.00 0.00 -0.94 -1.01 0.00 0.00 177.20 175.25 3cm6 s SER 112 N -2.43 -0.02 0.06 -1.12 1.04 -1.26 -3.92 113.70 106.06 3cm6 s SER 112 Ca 0.28 -0.79 0.16 0.00 0.48 0.00 0.00 55.95 56.08 3cm6 s SER 112 Cb 0.20 0.61 0.68 0.00 0.10 0.00 0.00 66.02 67.61 3cm6 s SER 112 CO 0.48 -1.20 1.51 -2.11 0.98 0.00 0.00 173.24 172.89 3cm6 n ARG 113 N -0.63 0.05 -0.25 4.02 1.85 -1.26 -4.18 116.66 116.26 3cm6 n ARG 113 Ca -0.05 0.30 -0.08 0.00 -1.00 0.00 0.00 57.85 57.03 3cm6 n ARG 113 Cb 0.60 -1.59 0.04 0.00 -1.05 0.00 0.00 32.46 30.46 3cm6 n ARG 113 CO 0.00 0.00 0.00 1.96 -0.01 0.00 0.00 177.63 179.58 3cm6 h GLN 114 N 0.00 1.11 -0.45 2.89 1.08 -1.97 -2.02 115.11 115.74 3cm6 h GLN 114 Ca 0.00 -0.28 -0.06 0.00 -1.45 0.00 0.00 58.65 56.86 3cm6 h GLN 114 Cb 0.26 -0.14 -0.02 0.00 -0.05 0.00 0.00 27.48 27.54 3cm6 h GLN 114 CO 0.00 1.00 0.04 -0.44 -0.95 0.00 0.00 178.83 178.47 3cm6 h ASP 115 N 1.04 0.75 0.01 1.46 3.32 -1.97 -0.64 116.42 120.39 3cm6 h ASP 115 Ca 0.21 -0.29 -0.40 0.00 0.02 0.00 0.00 57.03 56.58 3cm6 h ASP 115 Cb 0.40 -0.20 -0.06 0.00 0.22 0.00 0.00 39.33 39.68 3cm6 h ASP 115 CO 0.01 0.85 -2.41 0.18 -1.72 0.00 0.00 179.24 176.15 3cm6 n LEU 116 N -4.42 2.66 -0.04 1.55 4.77 -1.23 -0.33 117.00 119.97 3cm6 n LEU 116 Ca 0.00 0.03 -0.13 0.00 -0.03 0.00 0.00 56.01 55.88 3cm6 n LEU 116 Cb 0.28 -0.91 -0.08 0.00 -2.33 0.00 0.00 43.42 40.38 3cm6 n LEU 116 CO 0.41 0.82 0.66 -0.25 -1.33 0.00 0.00 177.39 177.70 3cm6 h TRP 117 N -0.27 0.22 0.00 -1.77 7.01 -1.50 -3.10 115.95 116.55 3cm6 h TRP 117 Ca -0.59 -0.06 0.00 0.00 2.11 0.00 0.00 58.89 60.35 3cm6 h TRP 117 Cb 1.82 -0.05 0.00 0.00 -2.10 0.00 0.00 29.16 28.83 3cm6 h TRP 117 CO 0.01 0.56 -0.51 -2.13 -2.79 0.00 0.00 178.44 173.58 3cm6 n ARG 118 N -4.73 0.39 0.06 2.65 0.63 -1.01 -4.21 116.66 110.44 3cm6 n ARG 118 Ca -0.07 0.42 -0.13 0.00 -0.92 0.00 0.00 57.85 57.16 3cm6 n ARG 118 Cb 0.27 -1.49 -0.09 0.00 0.45 0.00 0.00 32.46 31.60 3cm6 n ARG 118 CO 0.00 0.00 0.00 0.82 -2.51 0.00 0.00 177.63 175.94 3cm6 h ILE 119 N -0.84 1.03 -0.06 5.15 2.04 -1.15 -0.25 117.51 123.43 3cm6 h ILE 119 Ca 0.00 -0.82 0.00 0.00 1.00 0.00 0.00 64.86 65.04 3cm6 h ILE 119 Cb 0.51 1.53 -0.00 0.00 -0.74 0.00 0.00 36.82 38.12 3cm6 h ILE 119 CO 0.00 0.19 0.04 0.00 0.00 0.00 0.00 178.15 178.38 3cm6 h ALA 120 N 0.20 0.08 -0.03 1.87 0.00 -0.78 -1.45 119.26 119.15 3cm6 h ALA 120 Ca -0.02 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 54.92 3cm6 h ALA 120 Cb 0.45 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.17 3cm6 h ALA 120 CO 0.03 -0.43 -0.23 0.37 0.00 0.00 0.00 179.25 179.00 3cm6 h GLN 121 N 0.08 -0.33 0.21 0.00 4.15 -1.48 0.12 115.11 117.87 3cm6 h GLN 121 Ca 0.02 0.02 -0.01 0.00 0.77 0.00 0.00 58.65 59.45 3cm6 h GLN 121 Cb -0.01 0.07 0.00 0.00 0.21 0.00 0.00 27.48 27.76 3cm6 h GLN 121 CO -0.00 -0.22 -0.10 -0.92 -1.93 0.00 0.00 178.83 175.66 3cm6 h TYR 122 N -0.34 -0.27 -0.74 3.99 3.20 -0.97 -0.43 116.97 121.41 3cm6 h TYR 122 Ca 0.07 -0.01 0.13 0.00 3.14 0.00 0.00 58.73 62.06 3cm6 h TYR 122 Cb 0.44 0.09 -0.09 0.00 1.54 0.00 0.00 36.73 38.71 3cm6 h TYR 122 CO -0.28 -0.01 0.33 0.37 -1.64 0.00 0.00 178.16 176.92 3cm6 h GLN 123 N -0.50 0.49 -0.32 1.82 5.75 -1.15 0.67 115.11 121.87 3cm6 h GLN 123 Ca -0.03 -0.03 -0.04 0.00 -0.15 0.00 0.00 58.65 58.40 3cm6 h GLN 123 Cb 0.37 -0.11 -0.02 0.00 1.07 0.00 0.00 27.48 28.80 3cm6 h GLN 123 CO 0.05 0.32 0.01 1.98 -2.65 0.00 0.00 178.83 178.54 3cm6 h MET 124 N 0.50 0.49 -0.14 1.69 4.05 -0.36 0.14 114.93 121.30 3cm6 h MET 124 Ca 0.40 -0.10 -0.01 0.00 -0.28 0.00 0.00 59.70 59.71 3cm6 h MET 124 Cb 0.54 -0.07 -0.01 0.00 -0.80 0.00 0.00 31.60 31.26 3cm6 h MET 124 CO -0.36 0.51 0.04 -0.22 0.23 0.00 0.00 176.91 177.11 3cm6 h LYS 125 N 0.47 0.22 -0.96 0.39 1.63 0.45 -0.37 116.57 118.40 3cm6 h LYS 125 Ca 0.10 -0.05 0.10 0.00 -0.85 0.00 0.00 60.65 59.96 3cm6 h LYS 125 Cb 0.30 -0.03 -0.08 0.00 -0.60 0.00 0.00 32.23 31.82 3cm6 h LYS 125 CO 0.01 0.36 0.59 -0.07 -3.45 0.00 0.00 179.45 176.89 3cm6 h LEU 126 N 0.03 0.88 -1.11 5.20 3.38 0.27 -2.53 115.31 121.43 3cm6 h LEU 126 Ca 0.04 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.06 3cm6 h LEU 126 Cb 0.24 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.85 3cm6 h LEU 126 CO -0.00 0.49 -0.01 -1.20 0.09 0.00 0.00 178.44 177.81 3cm6 n SER 127 N -4.63 1.74 -3.64 -0.43 7.64 0.36 -4.95 113.62 109.71 3cm6 n SER 127 Ca 0.17 -1.57 -0.21 0.00 1.01 0.00 0.00 58.87 58.27 3cm6 n SER 127 Cb 0.31 0.01 0.04 0.00 -1.01 0.00 0.00 64.21 63.55 3cm6 n SER 127 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 3cm6 n ASN 128 N 0.35 -2.11 -4.29 6.43 5.15 -0.69 -4.97 115.26 115.13 3cm6 n ASN 128 Ca 0.18 -0.81 -0.31 0.00 -0.60 0.00 0.00 54.58 53.04 3cm6 n ASN 128 Cb 0.40 -4.17 -0.16 0.00 -0.53 0.00 0.00 39.78 35.31 3cm6 n ASN 128 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 3cm6 s ILE 129 N -3.60 2.02 0.29 -1.44 1.01 -0.23 -5.05 121.20 114.20 3cm6 s ILE 129 Ca 0.09 -1.08 -0.29 0.00 0.00 0.00 0.00 60.65 59.37 3cm6 s ILE 129 Cb -0.02 -1.69 -0.10 0.00 0.01 0.00 0.00 42.46 40.65 3cm6 s ILE 129 CO 0.80 0.57 1.44 -1.58 0.00 0.00 0.00 174.94 176.17 3cm6 s GLN 130 N -0.43 4.25 -0.01 2.79 0.74 -1.26 -4.47 119.66 121.27 3cm6 s GLN 130 Ca 0.05 2.35 -0.30 0.00 0.05 0.00 0.00 55.36 57.51 3cm6 s GLN 130 Cb -0.11 -3.07 -0.07 0.00 1.10 0.00 0.00 33.01 30.86 3cm6 s GLN 130 CO 0.01 -0.41 1.74 -1.64 -0.55 0.00 0.00 175.29 174.43 3cm6 s MET 131 N -0.93 4.17 0.54 1.67 -1.94 -1.26 -4.96 119.30 116.59 3cm6 s MET 131 Ca 0.57 2.32 -0.17 0.00 -1.71 0.00 0.00 55.69 56.70 3cm6 s MET 131 Cb -0.43 -3.97 -0.06 0.00 2.01 0.00 0.00 34.83 32.39 3cm6 s MET 131 CO 0.49 -0.86 1.04 -1.25 -0.01 0.00 0.00 175.02 174.43 3cm6 s PRO 132 N 3.91 3.60 0.36 2.03 0.04 -1.26 -4.95 135.00 138.73 3cm6 s PRO 132 Ca 0.77 1.21 0.11 0.00 0.04 0.00 0.00 61.00 63.14 3cm6 s PRO 132 Cb -0.37 -2.07 0.89 0.00 0.04 0.00 0.00 34.50 32.99 3cm6 s PRO 132 CO 0.33 -0.58 1.83 0.00 0.04 0.00 0.00 177.00 178.62 3cm6 h ALA 133 N 0.92 1.93 0.00 8.56 0.00 -1.93 -1.69 119.26 127.05 3cm6 h ALA 133 Ca -0.48 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.47 3cm6 h ALA 133 Cb 1.21 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.93 3cm6 h ALA 133 CO 0.59 -0.24 0.00 1.97 0.00 0.00 0.00 179.25 181.57 3cm6 n PHE 134 N -4.61 0.00 1.06 0.00 -1.74 -1.26 -1.37 117.46 109.54 3cm6 n PHE 134 Ca 0.21 0.00 0.11 0.00 -0.56 0.00 0.00 57.45 57.21 3cm6 n PHE 134 Cb 0.60 -0.42 0.09 0.00 1.52 0.00 0.00 39.48 41.28 3cm6 n PHE 134 CO 0.00 0.00 0.00 1.19 -0.56 0.00 0.00 176.76 177.39 3cm6 n PHE 135 N -1.42 0.00 0.88 2.97 3.72 -0.64 -4.37 117.46 118.60 3cm6 n PHE 135 Ca 0.08 0.00 0.11 0.00 -0.05 0.00 0.00 57.45 57.59 3cm6 n PHE 135 Cb 0.24 -0.04 0.10 0.00 -0.94 0.00 0.00 39.48 38.83 3cm6 n PHE 135 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 3cm6 n ARG 136 N -0.44 2.08 -3.88 -1.08 1.74 -0.47 -4.81 116.66 109.79 3cm6 n ARG 136 Ca 0.09 -1.83 -0.12 0.00 -0.77 0.00 0.00 57.85 55.22 3cm6 n ARG 136 Cb 0.41 -1.43 -0.13 0.00 -1.02 0.00 0.00 32.46 30.29 3cm6 n ARG 136 CO 0.00 0.00 0.00 1.14 -1.52 0.00 0.00 177.63 177.25 3cm6 s GLN 137 N -1.81 0.06 0.27 5.56 -2.07 -1.22 -0.14 119.66 120.32 3cm6 s GLN 137 Ca 0.26 -0.08 -0.20 0.00 -1.82 0.00 0.00 55.36 53.52 3cm6 s GLN 137 Cb 0.19 0.02 0.05 0.00 -1.09 0.00 0.00 33.01 32.18 3cm6 s GLN 137 CO 0.28 -0.01 0.84 1.52 -1.32 0.00 0.00 175.29 176.60 3cm6 s TYR 138 N -0.22 -0.04 -0.35 9.60 1.13 -0.48 -4.61 117.35 122.38 3cm6 s TYR 138 Ca -0.02 -0.45 -0.09 0.00 -1.41 0.00 0.00 57.07 55.10 3cm6 s TYR 138 Cb -0.02 0.74 0.03 0.00 -1.10 0.00 0.00 41.96 41.61 3cm6 s TYR 138 CO -0.00 -1.21 0.16 0.42 -2.51 0.00 0.00 175.55 172.40 3cm6 s ILE 139 N -3.02 4.25 -0.66 -3.49 1.01 0.15 -2.02 121.20 117.41 3cm6 s ILE 139 Ca 0.14 -0.91 -0.27 0.00 0.00 0.00 0.00 60.65 59.62 3cm6 s ILE 139 Cb -0.04 -3.35 0.04 0.00 0.01 0.00 0.00 42.46 39.11 3cm6 s ILE 139 CO 0.07 -0.17 1.19 0.21 0.00 0.00 0.00 174.94 176.24 3cm6 s ASN 140 N 1.50 6.27 0.46 3.58 3.84 -1.26 -1.31 114.94 128.02 3cm6 s ASN 140 Ca 0.01 -0.32 0.21 0.00 0.21 0.00 0.00 52.86 52.97 3cm6 s ASN 140 Cb -0.19 -2.53 1.14 0.00 -0.55 0.00 0.00 41.25 39.12 3cm6 s ASN 140 CO 0.05 -1.63 1.97 0.25 -2.79 0.00 0.00 177.10 174.95 3cm6 h LEU 141 N 12.31 0.00 -0.85 3.21 5.85 -0.95 -2.80 115.31 132.08 3cm6 h LEU 141 Ca -0.27 0.00 -0.08 0.00 0.84 0.00 0.00 57.88 58.37 3cm6 h LEU 141 Cb 1.06 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.07 3cm6 h LEU 141 CO 1.22 0.21 -0.04 0.22 -0.34 0.00 0.00 178.44 179.71 3cm6 h TYR 142 N 0.00 0.88 -0.09 1.25 3.20 -1.74 -1.00 116.97 119.46 3cm6 h TYR 142 Ca -0.00 -0.14 -0.16 0.00 3.14 0.00 0.00 58.73 61.57 3cm6 h TYR 142 Cb 0.46 -0.23 -0.01 0.00 1.54 0.00 0.00 36.73 38.49 3cm6 h TYR 142 CO 0.00 0.83 -0.64 -0.22 -1.64 0.00 0.00 178.16 176.49 3cm6 h LYS 143 N 0.75 0.36 -0.56 1.82 3.11 -1.83 -1.30 116.57 118.93 3cm6 h LYS 143 Ca 0.14 -0.26 -0.11 0.00 -2.81 0.00 0.00 60.65 57.60 3cm6 h LYS 143 Cb 0.51 0.04 -0.02 0.00 -1.00 0.00 0.00 32.23 31.77 3cm6 h LYS 143 CO 0.03 0.88 -0.09 0.82 -2.81 0.00 0.00 179.45 178.28 3cm6 h ILE 144 N 0.26 1.27 -0.37 2.00 1.08 -1.41 -2.84 117.51 117.51 3cm6 h ILE 144 Ca -0.01 -1.26 0.05 0.00 -0.39 0.00 0.00 64.86 63.25 3cm6 h ILE 144 Cb 1.18 0.93 -0.04 0.00 -3.07 0.00 0.00 36.82 35.82 3cm6 h ILE 144 CO 0.11 0.45 0.12 0.15 -0.69 0.00 0.00 178.15 178.28 3cm6 h PHE 145 N 0.93 0.21 -0.69 1.37 3.57 -0.93 0.13 116.94 121.53 3cm6 h PHE 145 Ca 0.15 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.62 3cm6 h PHE 145 Cb 0.67 -0.04 -0.03 0.00 2.79 0.00 0.00 35.95 39.34 3cm6 h PHE 145 CO 0.05 0.08 0.25 1.79 -2.23 0.00 0.00 178.31 178.24 3cm6 h THR 146 N 0.27 1.24 -0.85 4.41 1.35 -1.15 0.08 112.91 118.26 3cm6 h THR 146 Ca 0.17 -0.81 -0.01 0.00 -0.55 0.00 0.00 66.41 65.22 3cm6 h THR 146 Cb 0.16 0.45 -0.04 0.00 -1.73 0.00 0.00 68.15 66.99 3cm6 h THR 146 CO -0.19 0.32 0.49 0.78 -0.25 0.00 0.00 175.52 176.68 3cm6 h ASN 147 N 1.01 1.04 0.17 5.36 2.35 -1.23 -2.38 115.58 121.90 3cm6 h ASN 147 Ca 0.23 -0.08 -0.05 0.00 -0.55 0.00 0.00 56.30 55.85 3cm6 h ASN 147 Cb 0.24 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 38.34 3cm6 h ASN 147 CO -0.01 0.82 -0.19 -0.33 -1.65 0.00 0.00 177.43 176.06 3cm6 h GLU 148 N 1.18 0.06 0.05 0.81 4.39 0.22 -1.20 114.58 120.09 3cm6 h GLU 148 Ca 0.30 -0.01 -0.00 0.00 0.34 0.00 0.00 59.36 59.99 3cm6 h GLU 148 Cb -0.01 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 28.63 3cm6 h GLU 148 CO -0.05 0.26 -0.03 0.52 -1.16 0.00 0.00 179.01 178.55 3cm6 h MET 149 N 0.06 -0.07 -0.89 2.33 2.86 -0.75 -1.48 114.93 116.99 3cm6 h MET 149 Ca 0.01 0.00 0.11 0.00 -2.06 0.00 0.00 59.70 57.76 3cm6 h MET 149 Cb 0.38 0.02 -0.08 0.00 0.06 0.00 0.00 31.60 31.98 3cm6 h MET 149 CO 0.03 0.28 0.52 -0.44 1.06 0.00 0.00 176.91 178.36 3cm6 h ASP 150 N -0.43 0.75 0.36 1.22 3.32 -1.18 0.32 116.42 120.78 3cm6 h ASP 150 Ca -0.01 0.05 -0.15 0.00 0.02 0.00 0.00 57.03 56.94 3cm6 h ASP 150 Cb 0.38 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 39.83 3cm6 h ASP 150 CO 0.01 0.41 -0.62 -0.09 -1.72 0.00 0.00 179.24 177.23 3cm6 h ARG 151 N 0.85 0.25 0.00 3.56 2.43 -1.16 -3.33 114.38 116.98 3cm6 h ARG 151 Ca 0.44 -0.18 -0.01 0.00 -0.81 0.00 0.00 59.98 59.42 3cm6 h ARG 151 Cb 0.43 0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 30.00 3cm6 h ARG 151 CO -0.26 0.79 -1.75 -1.33 -1.51 0.00 0.00 179.97 175.91 3cm6 n MET 152 N -3.86 0.52 0.00 0.20 2.81 -0.57 -5.07 117.12 111.15 3cm6 n MET 152 Ca -0.02 -0.14 0.00 0.00 -1.81 0.00 0.00 57.70 55.72 3cm6 n MET 152 Cb 0.63 -1.39 0.00 0.00 -0.71 0.00 0.00 33.22 31.75 3cm6 n MET 152 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3cm6 n GLY 153 N 1.59 2.50 3.47 3.03 0.00 0.11 -5.07 105.19 110.83 3cm6 n GLY 153 Ca -0.04 -0.84 -0.38 0.00 0.00 0.00 0.00 46.02 44.77 3cm6 n GLY 153 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3cm6 n PRO 154 N 0.00 0.49 -3.58 1.61 -0.02 -1.08 -4.88 135.00 127.55 3cm6 n PRO 154 Ca 0.00 0.20 -0.11 0.00 -2.02 0.00 0.00 63.50 61.57 3cm6 n PRO 154 Cb 0.00 -1.76 -0.04 0.00 -0.02 0.00 0.00 33.50 31.68 3cm6 n PRO 154 CO 0.00 0.00 0.00 -1.59 1.98 0.00 0.00 175.50 175.89 3cm6 s LYS 155 N -2.27 1.12 0.01 -0.52 -2.85 -1.26 -5.11 119.74 108.86 3cm6 s LYS 155 Ca 0.69 -0.63 -0.30 0.00 -1.00 0.00 0.00 55.97 54.72 3cm6 s LYS 155 Cb -0.42 0.50 -0.07 0.00 -2.06 0.00 0.00 37.83 35.78 3cm6 s LYS 155 CO 0.55 -0.45 1.60 -1.21 0.10 0.00 0.00 175.35 175.93 3cm6 s GLU 156 N -3.74 4.21 -0.10 1.78 0.41 -1.26 -5.01 118.70 114.99 3cm6 s GLU 156 Ca 0.02 2.20 0.04 0.00 -0.41 0.00 0.00 54.97 56.82 3cm6 s GLU 156 Cb 0.01 -3.73 -0.00 0.00 -1.78 0.00 0.00 34.13 28.63 3cm6 s GLU 156 CO -0.12 -0.74 -0.24 -0.51 -0.49 0.00 0.00 175.26 173.17 3cm6 s LEU 157 N 3.06 2.11 -0.12 1.80 1.43 -1.26 -5.02 118.68 120.69 3cm6 s LEU 157 Ca 0.71 -0.55 0.18 0.00 -1.03 0.00 0.00 54.13 53.45 3cm6 s LEU 157 Cb -0.36 -1.41 -0.27 0.00 0.03 0.00 0.00 46.19 44.18 3cm6 s LEU 157 CO 0.30 0.17 0.23 -1.54 0.23 0.00 0.00 176.35 175.74 3cm6 n SER 158 N 3.44 0.35 -4.59 2.29 3.41 -1.26 -5.00 113.62 112.27 3cm6 n SER 158 Ca -0.19 0.00 -0.35 0.00 -0.26 0.00 0.00 58.87 58.08 3cm6 n SER 158 Cb 0.53 1.38 0.10 0.00 -0.26 0.00 0.00 64.21 65.96 3cm6 n SER 158 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3cm6 n ALA 159 N -2.48 -0.64 -0.05 7.33 0.00 -1.26 -4.98 120.51 118.43 3cm6 n ALA 159 Ca -0.19 -0.29 -0.04 0.00 0.00 0.00 0.00 53.44 52.92 3cm6 n ALA 159 Cb 0.86 -2.08 -0.08 0.00 0.00 0.00 0.00 19.45 18.15 3cm6 n ALA 159 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3cm6 n THR 160 N -2.86 0.63 -2.64 0.00 -2.24 -1.26 -4.72 114.28 101.19 3cm6 n THR 160 Ca 0.12 -0.40 -0.30 0.00 -2.27 0.00 0.00 64.05 61.20 3cm6 n THR 160 Cb 0.50 -0.69 -0.02 0.00 -2.10 0.00 0.00 70.33 68.02 3cm6 n THR 160 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3cm6 s THR 161 N -2.26 4.76 0.12 4.28 -4.23 -1.26 -4.96 115.64 112.09 3cm6 s THR 161 Ca -0.05 0.67 -0.21 0.00 -1.18 0.00 0.00 61.69 60.92 3cm6 s THR 161 Cb 0.03 -3.77 -0.05 0.00 1.34 0.00 0.00 72.50 70.05 3cm6 s THR 161 CO 0.40 -0.67 1.70 0.78 -0.54 0.00 0.00 174.62 176.29 3cm6 h ASN 162 N 0.86 -0.21 -0.47 3.99 2.35 -1.95 -0.68 115.58 119.47 3cm6 h ASN 162 Ca -0.47 0.05 0.05 0.00 -0.55 0.00 0.00 56.30 55.38 3cm6 h ASN 162 Cb 1.19 0.12 -0.04 0.00 0.05 0.00 0.00 38.32 39.64 3cm6 h ASN 162 CO 0.63 -0.08 0.22 0.40 -1.65 0.00 0.00 177.43 176.95 3cm6 h ILE 163 N -0.04 0.93 -0.19 2.81 2.04 -1.95 -1.57 117.51 119.54 3cm6 h ILE 163 Ca 0.08 -0.15 0.03 0.00 1.00 0.00 0.00 64.86 65.81 3cm6 h ILE 163 Cb 0.16 0.46 -0.03 0.00 -0.74 0.00 0.00 36.82 36.67 3cm6 h ILE 163 CO -0.17 0.08 0.02 1.23 0.00 0.00 0.00 178.15 179.31 3cm6 h GLY 164 N 0.44 0.20 0.93 5.37 0.00 -1.89 -0.57 103.07 107.55 3cm6 h GLY 164 Ca 0.21 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.54 3cm6 h GLY 164 CO -0.17 -0.02 0.04 0.50 0.00 0.00 0.00 176.54 176.89 3cm6 h LYS 165 N 0.09 0.09 -0.54 4.80 1.57 -0.95 0.90 116.57 122.53 3cm6 h LYS 165 Ca 0.09 -0.01 0.04 0.00 -1.87 0.00 0.00 60.65 58.89 3cm6 h LYS 165 Cb 0.10 -0.02 -0.04 0.00 0.08 0.00 0.00 32.23 32.35 3cm6 h LYS 165 CO -0.13 0.14 0.30 0.52 -0.57 0.00 0.00 179.45 179.71 3cm6 h MET 166 N 0.02 0.58 -0.73 3.15 2.86 -1.09 0.84 114.93 120.55 3cm6 h MET 166 Ca 0.02 -0.03 -0.02 0.00 -2.06 0.00 0.00 59.70 57.61 3cm6 h MET 166 Cb 0.07 -0.13 -0.03 0.00 0.06 0.00 0.00 31.60 31.57 3cm6 h MET 166 CO -0.00 0.38 0.39 -0.91 1.06 0.00 0.00 176.91 177.83 3cm6 h ASN 167 N 0.59 0.92 -0.58 1.22 2.35 -0.83 -1.84 115.58 117.41 3cm6 h ASN 167 Ca 0.23 -0.10 -0.04 0.00 -0.55 0.00 0.00 56.30 55.84 3cm6 h ASN 167 Cb 0.08 -0.24 -0.03 0.00 0.05 0.00 0.00 38.32 38.19 3cm6 h ASN 167 CO -0.13 0.76 0.22 -0.08 -1.65 0.00 0.00 177.43 176.56 3cm6 h GLU 168 N 1.01 0.87 -0.27 0.81 4.81 -0.12 0.35 114.58 122.05 3cm6 h GLU 168 Ca 0.26 -0.16 -0.14 0.00 -0.13 0.00 0.00 59.36 59.19 3cm6 h GLU 168 Cb 0.05 -0.14 -0.00 0.00 0.63 0.00 0.00 28.75 29.29 3cm6 h GLU 168 CO -0.04 0.75 -0.36 -0.92 -0.73 0.00 0.00 179.01 177.71 3cm6 h TYR 169 N 0.80 0.88 -0.03 0.92 3.20 -0.46 -1.98 116.97 120.31 3cm6 h TYR 169 Ca 0.19 -0.29 0.00 0.00 3.14 0.00 0.00 58.73 61.77 3cm6 h TYR 169 Cb 0.21 -0.18 0.00 0.00 1.54 0.00 0.00 36.73 38.31 3cm6 h TYR 169 CO 0.01 1.06 0.00 0.66 -1.64 0.00 0.00 178.16 178.25 3cm6 n TYR 170 N -4.21 0.03 -3.80 -3.82 4.02 -0.73 -4.92 117.16 103.74 3cm6 n TYR 170 Ca -0.04 -0.02 -0.35 0.00 -0.01 0.00 0.00 57.90 57.47 3cm6 n TYR 170 Cb 0.52 0.00 0.03 0.00 -0.02 0.00 0.00 39.34 39.87 3cm6 n TYR 170 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 176.86 172.38 3cm6 n ASP 171 N -0.52 -4.76 -4.79 7.72 2.03 -0.57 -5.01 116.55 110.65 3cm6 n ASP 171 Ca 0.19 -1.09 -0.31 0.00 0.52 0.00 0.00 54.79 54.09 3cm6 n ASP 171 Cb 0.17 -2.90 -0.06 0.00 -0.72 0.00 0.00 41.12 37.60 3cm6 n ASP 171 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 3cm6 s LEU 172 N -6.76 3.87 0.08 -2.67 1.43 0.11 -5.02 118.68 109.72 3cm6 s LEU 172 Ca 0.46 0.05 -0.30 0.00 -1.03 0.00 0.00 54.13 53.31 3cm6 s LEU 172 Cb -0.19 -2.47 -0.05 0.00 0.03 0.00 0.00 46.19 43.51 3cm6 s LEU 172 CO 0.89 0.20 1.00 -2.16 0.23 0.00 0.00 176.35 176.51 3cm6 s PRO 173 N -2.24 4.63 0.17 1.29 0.04 -1.26 -4.59 135.00 133.04 3cm6 s PRO 173 Ca 0.28 1.49 -0.34 0.00 0.04 0.00 0.00 61.00 62.48 3cm6 s PRO 173 Cb -0.12 -3.39 -0.14 0.00 0.04 0.00 0.00 34.50 30.89 3cm6 s PRO 173 CO 0.21 0.09 1.53 2.41 0.04 0.00 0.00 177.00 181.28 3cm6 n THR 174 N 3.16 0.15 -3.71 1.26 -1.04 -1.26 -4.99 114.28 107.85 3cm6 n THR 174 Ca 0.04 -0.04 -0.37 0.00 -2.04 0.00 0.00 64.05 61.64 3cm6 n THR 174 Cb 0.49 -1.48 -0.06 0.00 -1.82 0.00 0.00 70.33 67.46 3cm6 n THR 174 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 3cm6 s ILE 175 N 0.72 5.34 0.00 12.58 1.01 -1.26 -5.01 121.20 134.59 3cm6 s ILE 175 Ca 0.77 0.42 0.00 0.00 0.00 0.00 0.00 60.65 61.85 3cm6 s ILE 175 Cb -0.69 -3.53 0.00 0.00 0.01 0.00 0.00 42.46 38.25 3cm6 s ILE 175 CO 0.40 0.55 0.00 0.61 0.00 0.00 0.00 174.94 176.50 3cm6 n GLY 176 N 2.37 1.57 3.50 6.18 0.00 -1.26 -4.76 105.19 112.80 3cm6 n GLY 176 Ca -0.17 -0.52 -0.30 0.00 0.00 0.00 0.00 46.02 45.04 3cm6 n GLY 176 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3cm6 s ARG 177 N 0.00 2.00 0.38 1.61 1.04 -1.26 -5.11 118.95 117.61 3cm6 s ARG 177 Ca 0.00 -1.05 -0.28 0.00 -1.04 0.00 0.00 55.73 53.36 3cm6 s ARG 177 Cb 0.00 -2.20 -0.11 0.00 -2.04 0.00 0.00 34.95 30.60 3cm6 s ARG 177 CO 0.00 0.51 1.49 0.00 -0.04 0.00 0.00 175.30 177.27 3cm6 s ALA 178 N -1.07 3.57 0.00 7.88 0.00 -1.26 -3.07 121.76 127.80 3cm6 s ALA 178 Ca 0.17 1.59 0.00 0.00 0.00 0.00 0.00 51.96 53.72 3cm6 s ALA 178 Cb -0.11 -3.62 0.00 0.00 0.00 0.00 0.00 23.12 19.40 3cm6 s ALA 178 CO 0.09 -1.08 0.00 0.72 0.00 0.00 0.00 175.76 175.49 3cm6 n HIS 179 N 0.43 0.00 -2.87 0.00 8.25 -1.26 -4.89 115.22 114.88 3cm6 n HIS 179 Ca 0.01 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 57.04 3cm6 n HIS 179 Cb 0.39 -0.48 -0.04 0.00 1.12 0.00 0.00 29.99 30.98 3cm6 n HIS 179 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 3cm6 s ASP 180 N -2.23 6.29 0.20 0.41 -1.08 -1.18 -4.66 116.67 114.43 3cm6 s ASP 180 Ca 0.00 -0.54 -0.05 0.00 -0.52 0.00 0.00 52.55 51.44 3cm6 s ASP 180 Cb 0.00 -2.42 0.36 0.00 -1.46 0.00 0.00 42.92 39.40 3cm6 s ASP 180 CO 0.00 -1.25 1.11 0.00 0.52 0.00 0.00 175.17 175.55 3cm6 n ALA 181 N 7.42 0.20 0.05 3.66 0.00 -1.26 0.00 120.51 130.57 3cm6 n ALA 181 Ca -0.00 0.78 -0.05 0.00 0.00 0.00 0.00 53.44 54.17 3cm6 n ALA 181 Cb 0.47 -0.48 0.14 0.00 0.00 0.00 0.00 19.45 19.58 3cm6 n ALA 181 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 177.50 179.48 3cm6 h MET 182 N 0.00 0.39 -0.08 0.00 1.85 -1.93 -0.81 114.93 114.35 3cm6 h MET 182 Ca 0.35 -0.21 -0.13 0.00 -0.61 0.00 0.00 59.70 59.10 3cm6 h MET 182 Cb 0.57 0.01 -0.01 0.00 0.43 0.00 0.00 31.60 32.60 3cm6 h MET 182 CO -0.73 0.77 -0.54 -0.44 -0.40 0.00 0.00 176.91 175.58 3cm6 h ASP 183 N 0.31 0.26 -0.40 1.39 3.32 -0.73 -2.16 116.42 118.41 3cm6 h ASP 183 Ca 0.02 -0.14 -0.03 0.00 0.02 0.00 0.00 57.03 56.90 3cm6 h ASP 183 Cb 0.93 -0.07 -0.02 0.00 0.22 0.00 0.00 39.33 40.39 3cm6 h ASP 183 CO 0.08 0.75 0.13 0.44 -1.72 0.00 0.00 179.24 178.92 3cm6 h ASP 184 N 0.19 0.58 -0.91 6.45 3.32 -0.72 -2.23 116.42 123.10 3cm6 h ASP 184 Ca 0.00 -0.20 0.07 0.00 0.02 0.00 0.00 57.03 56.93 3cm6 h ASP 184 Cb 1.01 -0.15 -0.07 0.00 0.22 0.00 0.00 39.33 40.34 3cm6 h ASP 184 CO 0.08 0.63 0.57 0.00 -1.72 0.00 0.00 179.24 178.80 3cm6 h LEU 186 N 1.01 0.44 -0.08 0.00 3.38 -1.27 0.79 115.31 119.58 3cm6 h LEU 186 Ca 0.40 -0.34 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 3cm6 h LEU 186 Cb 0.21 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 40.82 3cm6 h LEU 186 CO -0.19 1.13 0.03 0.78 0.09 0.00 0.00 178.44 180.28 3cm6 h ASN 187 N 0.20 0.12 -0.44 -0.43 2.35 -1.19 -1.20 115.58 114.99 3cm6 h ASN 187 Ca -0.06 -0.18 0.00 0.00 -0.55 0.00 0.00 56.30 55.51 3cm6 h ASN 187 Cb 1.50 -0.03 -0.02 0.00 0.05 0.00 0.00 38.32 39.82 3cm6 h ASN 187 CO 0.15 0.26 0.29 0.40 -1.65 0.00 0.00 177.43 176.88 3cm6 h ILE 188 N -0.04 1.12 -0.77 2.81 2.04 -0.93 0.86 117.51 122.59 3cm6 h ILE 188 Ca 0.03 -0.22 0.06 0.00 1.00 0.00 0.00 64.86 65.73 3cm6 h ILE 188 Cb 0.19 0.48 -0.06 0.00 -0.74 0.00 0.00 36.82 36.69 3cm6 h ILE 188 CO -0.00 0.11 0.46 0.00 0.00 0.00 0.00 178.15 178.72 3cm6 h ALA 189 N 1.16 1.05 -0.14 1.87 0.00 -0.76 0.19 119.26 122.62 3cm6 h ALA 189 Ca 0.16 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 55.04 3cm6 h ALA 189 Cb -0.06 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.53 3cm6 h ALA 189 CO -0.03 0.18 -0.04 1.15 0.00 0.00 0.00 179.25 180.51 3cm6 h THR 190 N 0.85 1.30 -0.48 0.00 2.02 -0.57 -0.44 112.91 115.60 3cm6 h THR 190 Ca 0.34 -1.01 0.05 0.00 0.77 0.00 0.00 66.41 66.56 3cm6 h THR 190 Cb 0.17 1.69 -0.05 0.00 -1.74 0.00 0.00 68.15 68.22 3cm6 h THR 190 CO -0.17 0.29 0.21 0.40 0.37 0.00 0.00 175.52 176.62 3cm6 h ILE 191 N -0.05 0.91 -0.46 3.11 2.04 -0.52 -0.73 117.51 121.81 3cm6 h ILE 191 Ca 0.03 -0.14 0.01 0.00 1.00 0.00 0.00 64.86 65.76 3cm6 h ILE 191 Cb 0.48 0.46 -0.02 0.00 -0.74 0.00 0.00 36.82 36.99 3cm6 h ILE 191 CO 0.02 0.08 0.29 0.25 0.00 0.00 0.00 178.15 178.78 3cm6 h LEU 192 N 0.41 0.50 -0.60 1.44 5.85 -0.38 0.13 115.31 122.65 3cm6 h LEU 192 Ca 0.22 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.93 3cm6 h LEU 192 Cb 0.17 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 41.05 3cm6 h LEU 192 CO -0.18 0.36 0.38 -0.61 -0.34 0.00 0.00 178.44 178.04 3cm6 h GLN 193 N 0.60 0.81 0.10 1.25 4.15 -0.74 -1.04 115.11 120.23 3cm6 h GLN 193 Ca 0.17 -0.06 -0.00 0.00 0.77 0.00 0.00 58.65 59.52 3cm6 h GLN 193 Cb -0.05 -0.17 0.00 0.00 0.21 0.00 0.00 27.48 27.47 3cm6 h GLN 193 CO -0.05 0.56 -0.05 -0.09 -1.93 0.00 0.00 178.83 177.28 3cm6 h ARG 194 N 0.81 -0.12 -0.68 1.69 9.65 -0.44 -1.84 114.38 123.45 3cm6 h ARG 194 Ca 0.22 0.01 0.14 0.00 -1.10 0.00 0.00 59.98 59.24 3cm6 h ARG 194 Cb -0.05 0.03 -0.10 0.00 -1.39 0.00 0.00 29.97 28.46 3cm6 h ARG 194 CO -0.04 -0.08 0.16 0.52 2.80 0.00 0.00 179.97 183.33 3cm6 h MET 195 N -0.13 0.27 0.12 0.20 2.86 -0.42 -1.48 114.93 116.36 3cm6 h MET 195 Ca -0.01 -0.02 -0.01 0.00 -2.06 0.00 0.00 59.70 57.60 3cm6 h MET 195 Cb 0.10 -0.06 0.00 0.00 0.06 0.00 0.00 31.60 31.70 3cm6 h MET 195 CO 0.02 0.18 -0.06 0.82 1.06 0.00 0.00 176.91 178.93 3cm6 h ILE 196 N 0.28 0.93 -0.13 -1.22 2.04 -1.07 -0.91 117.51 117.43 3cm6 h ILE 196 Ca 0.37 -0.20 0.04 0.00 1.00 0.00 0.00 64.86 66.06 3cm6 h ILE 196 Cb 0.59 1.06 -0.01 0.00 -0.74 0.00 0.00 36.82 37.72 3cm6 h ILE 196 CO -0.45 0.05 0.19 0.78 0.00 0.00 0.00 178.15 178.72 3cm6 h ASN 197 N -0.26 0.00 -0.35 1.72 2.35 -0.73 0.23 115.58 118.53 3cm6 h ASN 197 Ca -0.02 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.73 3cm6 h ASN 197 Cb 0.21 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.58 3cm6 h ASN 197 CO 0.03 0.00 0.00 0.23 -1.65 0.00 0.00 177.43 176.04 3cm6 n MET 198 N -3.57 2.01 -0.85 0.81 2.81 -0.61 -4.91 117.12 112.81 3cm6 n MET 198 Ca 0.00 -1.35 0.00 0.00 -1.81 0.00 0.00 57.70 54.55 3cm6 n MET 198 Cb 0.29 -1.38 0.00 0.00 -0.71 0.00 0.00 33.22 31.43 3cm6 n MET 198 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3cm6 n GLY 199 N 0.96 0.54 3.77 3.03 0.00 0.79 -5.04 105.19 109.23 3cm6 n GLY 199 Ca 0.12 -0.36 -0.38 0.00 0.00 0.00 0.00 46.02 45.40 3cm6 n GLY 199 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3cm6 s ALA 200 N -2.00 3.04 -0.49 4.61 0.00 -0.39 -4.99 121.76 121.54 3cm6 s ALA 200 Ca 0.00 1.01 -0.20 0.00 0.00 0.00 0.00 51.96 52.77 3cm6 s ALA 200 Cb 0.00 -3.41 0.05 0.00 0.00 0.00 0.00 23.12 19.76 3cm6 s ALA 200 CO 0.00 -0.70 0.68 0.21 0.00 0.00 0.00 175.76 175.94 3cm6 s LYS 201 N -2.55 3.20 -0.44 0.00 2.20 -1.26 -4.62 119.74 116.27 3cm6 s LYS 201 Ca 0.62 -0.65 -0.12 0.00 -0.36 0.00 0.00 55.97 55.46 3cm6 s LYS 201 Cb -0.31 -4.05 0.07 0.00 -1.51 0.00 0.00 37.83 32.03 3cm6 s LYS 201 CO 0.39 -1.20 0.31 0.08 -0.36 0.00 0.00 175.35 174.57 3cm6 s VAL 202 N 2.88 4.65 0.28 4.02 1.01 -1.26 -5.02 120.40 126.96 3cm6 s VAL 202 Ca 0.19 -1.24 -0.06 0.00 0.00 0.00 0.00 61.98 60.87 3cm6 s VAL 202 Cb -0.17 -3.81 -0.01 0.00 0.00 0.00 0.00 36.38 32.40 3cm6 s VAL 202 CO 0.15 -0.53 0.41 0.28 0.00 0.00 0.00 175.10 175.41 3cm6 s THR 203 N 1.52 0.00 0.35 3.92 -1.32 -1.26 -4.27 115.64 114.58 3cm6 s THR 203 Ca 0.03 -1.61 -0.28 0.00 -1.21 0.00 0.00 61.69 58.62 3cm6 s THR 203 Cb -0.23 -2.44 -0.11 0.00 -1.51 0.00 0.00 72.50 68.21 3cm6 s THR 203 CO 0.04 0.00 1.42 0.68 -2.21 0.00 0.00 174.62 174.55 3cm6 s VAL 204 N -3.65 2.32 0.00 5.08 -7.23 -1.26 -4.66 120.40 111.00 3cm6 s VAL 204 Ca 0.29 0.32 0.00 0.00 -1.81 0.00 0.00 61.98 60.78 3cm6 s VAL 204 Cb 0.01 -3.20 0.00 0.00 0.56 0.00 0.00 36.38 33.75 3cm6 s VAL 204 CO 0.14 0.08 0.00 -0.46 -0.31 0.00 0.00 175.10 174.55 3cm6 n ASN 205 N 0.69 0.17 -4.06 4.85 0.23 -0.86 -4.78 115.26 111.50 3cm6 n ASN 205 Ca 0.01 -0.25 -0.21 0.00 -0.53 0.00 0.00 54.58 53.61 3cm6 n ASN 205 Cb 0.40 0.53 -0.15 0.00 -2.08 0.00 0.00 39.78 38.48 3cm6 n ASN 205 CO 0.00 0.00 0.00 -1.61 -0.93 0.00 0.00 177.26 174.72 3cm6 s GLU 206 N -0.56 0.96 0.06 -3.83 2.02 -1.10 -1.28 118.70 114.96 3cm6 s GLU 206 Ca 0.00 -0.41 0.05 0.00 0.02 0.00 0.00 54.97 54.63 3cm6 s GLU 206 Cb 0.00 -0.92 -0.03 0.00 0.10 0.00 0.00 34.13 33.28 3cm6 s GLU 206 CO 0.00 0.24 -0.14 -0.51 0.02 0.00 0.00 175.26 174.87 3cm6 s LEU 207 N -0.23 2.23 -0.19 1.80 1.43 0.38 -1.38 118.68 122.72 3cm6 s LEU 207 Ca 0.04 -0.54 -0.08 0.00 -1.03 0.00 0.00 54.13 52.52 3cm6 s LEU 207 Cb -0.05 -0.53 -0.04 0.00 0.03 0.00 0.00 46.19 45.59 3cm6 s LEU 207 CO -0.00 -0.03 0.08 -0.76 0.23 0.00 0.00 176.35 175.87 3cm6 s LEU 208 N -1.46 3.94 0.00 1.79 1.43 0.81 -0.57 118.68 124.62 3cm6 s LEU 208 Ca -0.01 0.13 0.01 0.00 -1.03 0.00 0.00 54.13 53.24 3cm6 s LEU 208 Cb -0.09 -2.00 -0.01 0.00 0.03 0.00 0.00 46.19 44.12 3cm6 s LEU 208 CO 0.02 0.18 -0.04 -0.89 0.23 0.00 0.00 176.35 175.85 3cm6 s THR 209 N 0.33 0.29 0.50 5.49 2.01 -0.18 -4.70 115.64 119.39 3cm6 s THR 209 Ca 0.05 -0.32 0.30 0.00 0.31 0.00 0.00 61.69 62.02 3cm6 s THR 209 Cb -0.12 -0.28 0.33 0.00 0.01 0.00 0.00 72.50 72.44 3cm6 s THR 209 CO -0.01 -0.03 2.17 0.00 -0.69 0.00 0.00 174.62 176.07 3cm6 s ALA 212 N -0.36 -0.03 0.10 0.00 0.00 -1.26 -4.96 121.76 115.24 3cm6 s ALA 212 Ca -0.04 0.06 0.32 0.00 0.00 0.00 0.00 51.96 52.30 3cm6 s ALA 212 Cb -0.03 -0.04 1.30 0.00 0.00 0.00 0.00 23.12 24.36 3cm6 s ALA 212 CO 0.00 -0.01 1.96 0.66 0.00 0.00 0.00 175.76 178.37 3cm6 h SER 213 N 6.19 0.00 0.83 0.00 4.64 -2.02 -1.84 113.55 121.35 3cm6 h SER 213 Ca -0.25 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.07 3cm6 h SER 213 Cb 1.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 3cm6 h SER 213 CO 0.50 0.03 -0.01 -2.67 -0.87 0.00 0.00 176.83 173.81 3cm6 n TRP 214 N -3.13 0.00 1.22 4.77 4.27 -1.26 -2.22 117.44 121.08 3cm6 n TRP 214 Ca 0.01 0.00 0.14 0.00 -3.89 0.00 0.00 57.50 53.75 3cm6 n TRP 214 Cb 0.32 -0.42 0.54 0.00 -1.36 0.00 0.00 31.31 30.40 3cm6 n TRP 214 CO 0.00 0.00 0.00 0.54 -2.29 0.00 0.00 177.69 175.94 3cm6 n ARG 215 N -1.42 0.36 -0.14 -2.67 1.74 -0.69 -3.86 116.66 109.98 3cm6 n ARG 215 Ca 0.10 -0.12 -0.08 0.00 -0.77 0.00 0.00 57.85 56.98 3cm6 n ARG 215 Cb 0.30 -1.50 0.07 0.00 -1.02 0.00 0.00 32.46 30.31 3cm6 n ARG 215 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3cm6 h ARG 216 N 0.29 0.90 -6.27 5.56 3.08 -1.53 -3.41 114.38 113.00 3cm6 h ARG 216 Ca 0.00 -0.33 -0.56 0.00 0.07 0.00 0.00 59.98 59.17 3cm6 h ARG 216 Cb 0.42 -0.06 -0.04 0.00 0.08 0.00 0.00 29.97 30.38 3cm6 h ARG 216 CO 0.00 0.97 0.58 -1.14 -1.07 0.00 0.00 179.97 179.32 3cm6 s GLN 217 N -4.79 4.41 0.64 0.04 2.00 -1.25 -5.03 119.66 115.69 3cm6 s GLN 217 Ca -0.10 1.44 -0.18 0.00 -2.00 0.00 0.00 55.36 54.52 3cm6 s GLN 217 Cb 0.13 -3.54 -0.02 0.00 0.80 0.00 0.00 33.01 30.38 3cm6 s GLN 217 CO 0.84 -0.33 1.11 -2.30 -0.50 0.00 0.00 175.29 174.12 3cm6 n PRO 218 N 5.01 0.92 -2.13 1.67 -0.02 -1.26 -4.94 135.00 134.25 3cm6 n PRO 218 Ca 0.09 0.37 -0.42 0.00 -2.02 0.00 0.00 63.50 61.52 3cm6 n PRO 218 Cb 0.48 -2.34 -0.03 0.00 -0.02 0.00 0.00 33.50 31.59 3cm6 n PRO 218 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 3cm6 s LEU 219 N -3.29 4.37 -0.60 2.45 2.96 -1.26 -4.96 118.68 118.34 3cm6 s LEU 219 Ca 0.79 2.36 -0.28 0.00 -0.22 0.00 0.00 54.13 56.78 3cm6 s LEU 219 Cb -0.39 -3.58 0.03 0.00 0.50 0.00 0.00 46.19 42.75 3cm6 s LEU 219 CO 0.44 -0.70 1.24 0.54 -1.32 0.00 0.00 176.35 176.55 3cm6 s VAL 220 N 1.30 3.94 0.14 1.68 0.11 -1.26 -4.97 120.40 121.33 3cm6 s VAL 220 Ca 0.66 0.80 -0.31 0.00 -2.93 0.00 0.00 61.98 60.20 3cm6 s VAL 220 Cb -0.38 -4.71 -0.08 0.00 -1.53 0.00 0.00 36.38 29.68 3cm6 s VAL 220 CO 0.30 -1.38 1.42 -0.47 -3.33 0.00 0.00 175.10 171.64 3cm6 s TYR 221 N 5.24 3.20 -0.26 1.54 5.04 -1.26 -5.03 117.35 125.82 3cm6 s TYR 221 Ca 0.43 0.92 -0.13 0.00 -2.44 0.00 0.00 57.07 55.85 3cm6 s TYR 221 Cb -0.08 -3.73 -0.04 0.00 0.35 0.00 0.00 41.96 38.46 3cm6 s TYR 221 CO 0.24 -2.55 0.30 1.21 -1.34 0.00 0.00 175.55 173.41 3cm6 s ASN 222 N 1.01 6.19 0.48 4.32 3.84 -1.26 -4.98 114.94 124.54 3cm6 s ASN 222 Ca 0.65 0.21 0.18 0.00 0.21 0.00 0.00 52.86 54.10 3cm6 s ASN 222 Cb -0.38 -2.17 1.18 0.00 -0.55 0.00 0.00 41.25 39.33 3cm6 s ASN 222 CO 0.32 -0.10 2.05 0.50 -2.79 0.00 0.00 177.10 177.08 3cm6 h LYS 223 N 8.04 0.00 -0.89 0.43 3.64 -2.04 -2.72 116.57 123.03 3cm6 h LYS 223 Ca -0.34 0.00 -0.41 0.00 -1.27 0.00 0.00 60.65 58.63 3cm6 h LYS 223 Cb 1.17 0.00 -0.24 0.00 -0.41 0.00 0.00 32.23 32.75 3cm6 h LYS 223 CO 0.63 0.13 0.50 0.39 -2.27 0.00 0.00 179.45 178.83 3cm6 n GLU 224 N -4.22 2.67 0.27 1.90 -0.58 -1.26 -4.70 120.64 114.72 3cm6 n GLU 224 Ca -0.03 -3.05 0.13 0.00 -0.42 0.00 0.00 57.16 53.80 3cm6 n GLU 224 Cb 0.20 -2.17 0.77 0.00 -0.57 0.00 0.00 31.44 29.67 3cm6 n GLU 224 CO 0.00 0.00 0.00 0.11 -0.48 0.00 0.00 177.13 176.76 3cm6 h TRP 225 N 1.50 0.00 0.00 -0.32 5.08 -1.85 -2.91 115.95 117.45 3cm6 h TRP 225 Ca 0.51 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.48 3cm6 h TRP 225 Cb 2.65 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 28.81 3cm6 h TRP 225 CO 1.48 0.09 0.00 0.54 -1.28 0.00 0.00 178.44 179.26 3cm6 n ARG 226 N -3.74 0.19 -0.40 0.12 1.74 -1.26 -2.38 116.66 110.93 3cm6 n ARG 226 Ca -0.02 0.46 0.08 0.00 -0.77 0.00 0.00 57.85 57.60 3cm6 n ARG 226 Cb 0.19 -1.89 0.24 0.00 -1.02 0.00 0.00 32.46 29.99 3cm6 n ARG 226 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 3cm6 n SER 227 N -2.24 3.72 -3.78 0.55 3.41 -1.10 -0.27 113.62 113.91 3cm6 n SER 227 Ca 0.02 -2.74 -0.18 0.00 -0.26 0.00 0.00 58.87 55.70 3cm6 n SER 227 Cb 0.20 -0.47 -0.17 0.00 -0.26 0.00 0.00 64.21 63.51 3cm6 n SER 227 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 3cm6 s SER 228 N -1.63 0.71 0.15 4.04 0.15 -1.00 -5.01 113.70 111.11 3cm6 s SER 228 Ca 0.38 -0.01 -0.11 0.00 0.70 0.00 0.00 55.95 56.90 3cm6 s SER 228 Cb 0.29 -0.24 -0.01 0.00 -1.71 0.00 0.00 66.02 64.36 3cm6 s SER 228 CO 0.11 -0.14 1.54 0.15 1.20 0.00 0.00 173.24 176.10 3cm6 h PHE 229 N 7.62 1.08 0.40 3.44 3.57 -1.92 -2.36 116.94 128.77 3cm6 h PHE 229 Ca -0.34 -0.26 -0.02 0.00 3.53 0.00 0.00 57.97 60.88 3cm6 h PHE 229 Cb 1.13 -0.25 0.00 0.00 2.79 0.00 0.00 35.95 39.62 3cm6 h PHE 229 CO 0.50 1.07 -0.19 0.52 -2.23 0.00 0.00 178.31 177.97 3cm6 h MET 230 N 0.79 -0.52 -0.06 1.11 2.86 -1.96 -1.95 114.93 115.20 3cm6 h MET 230 Ca 0.11 0.04 -0.09 0.00 -2.06 0.00 0.00 59.70 57.69 3cm6 h MET 230 Cb 0.77 0.12 -0.01 0.00 0.06 0.00 0.00 31.60 32.53 3cm6 h MET 230 CO 0.06 -0.33 -0.38 -0.44 1.06 0.00 0.00 176.91 176.88 3cm6 h ASP 231 N -0.57 0.13 -0.17 1.22 3.45 -1.84 -1.69 116.42 116.94 3cm6 h ASP 231 Ca -0.05 -0.05 -0.08 0.00 0.43 0.00 0.00 57.03 57.27 3cm6 h ASP 231 Cb 0.43 -0.04 -0.02 0.00 -0.56 0.00 0.00 39.33 39.15 3cm6 h ASP 231 CO 0.09 0.51 -0.15 0.00 -1.57 0.00 0.00 179.24 178.12 3cm6 h ALA 232 N 1.50 1.15 -0.47 3.45 0.00 -1.39 -2.73 119.26 120.78 3cm6 h ALA 232 Ca 0.01 -0.30 0.06 0.00 0.00 0.00 0.00 54.91 54.68 3cm6 h ALA 232 Cb 0.73 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 18.33 3cm6 h ALA 232 CO 0.05 0.53 0.17 0.78 0.00 0.00 0.00 179.25 180.79 3cm6 h GLY 233 N 0.96 0.62 0.93 0.00 0.00 -0.50 -0.27 103.07 104.82 3cm6 h GLY 233 Ca 0.09 -0.09 0.04 0.00 0.00 0.00 0.00 47.33 47.37 3cm6 h GLY 233 CO 0.04 0.02 0.61 0.50 0.00 0.00 0.00 176.54 177.70 3cm6 h LYS 234 N 0.34 1.10 -0.13 4.80 1.79 -1.27 0.36 116.57 123.58 3cm6 h LYS 234 Ca 0.22 -0.07 -0.02 0.00 -2.18 0.00 0.00 60.65 58.61 3cm6 h LYS 234 Cb 0.22 -0.25 -0.00 0.00 -1.58 0.00 0.00 32.23 30.62 3cm6 h LYS 234 CO -0.22 0.73 0.01 0.82 -1.08 0.00 0.00 179.45 179.70 3cm6 h ILE 235 N 1.14 1.24 -0.98 1.86 1.08 -1.10 -2.93 117.51 117.81 3cm6 h ILE 235 Ca 0.38 -0.78 0.13 0.00 -0.39 0.00 0.00 64.86 64.20 3cm6 h ILE 235 Cb 0.06 1.51 -0.08 0.00 -3.07 0.00 0.00 36.82 35.24 3cm6 h ILE 235 CO -0.12 0.23 0.62 -0.26 -0.69 0.00 0.00 178.15 177.92 3cm6 h PHE 236 N -0.04 1.06 -0.45 1.37 0.04 -0.60 -0.50 116.94 117.82 3cm6 h PHE 236 Ca 0.04 0.03 0.00 0.00 2.80 0.00 0.00 57.97 60.84 3cm6 h PHE 236 Cb 0.34 -0.33 -0.02 0.00 2.20 0.00 0.00 35.95 38.13 3cm6 h PHE 236 CO 0.03 0.39 0.30 0.93 -0.60 0.00 0.00 178.31 179.36 3cm6 h GLU 237 N 0.90 0.60 0.03 1.51 5.08 -0.77 -0.27 114.58 121.66 3cm6 h GLU 237 Ca 0.50 -0.04 -0.29 0.00 -1.00 0.00 0.00 59.36 58.53 3cm6 h GLU 237 Cb 0.59 -0.13 -0.04 0.00 0.50 0.00 0.00 28.75 29.67 3cm6 h GLU 237 CO -0.27 0.40 -1.66 0.00 -1.00 0.00 0.00 179.01 176.48 3cm6 h ARG 238 N 0.62 0.06 -0.09 2.33 2.47 -1.11 -3.38 114.38 115.28 3cm6 h ARG 238 Ca 0.17 -0.10 -0.14 0.00 -1.26 0.00 0.00 59.98 58.65 3cm6 h ARG 238 Cb -0.07 0.04 0.01 0.00 -1.65 0.00 0.00 29.97 28.30 3cm6 h ARG 238 CO -0.04 0.70 -0.49 0.28 0.56 0.00 0.00 179.97 180.98 3cm6 h VAL 239 N 0.02 1.38 -3.46 2.04 2.07 -0.84 -3.39 116.25 114.07 3cm6 h VAL 239 Ca -0.27 -1.83 -0.52 0.00 0.82 0.00 0.00 66.70 64.89 3cm6 h VAL 239 Cb 1.99 2.24 -0.00 0.00 -1.52 0.00 0.00 31.29 34.00 3cm6 h VAL 239 CO 0.09 0.55 0.47 -0.76 0.02 0.00 0.00 177.57 177.94 3cm6 s LEU 240 N -8.58 4.45 0.15 2.57 1.43 -0.14 -4.95 118.68 113.61 3cm6 s LEU 240 Ca -0.13 1.99 -0.22 0.00 -1.03 0.00 0.00 54.13 54.74 3cm6 s LEU 240 Cb 0.05 -3.59 0.02 0.00 0.03 0.00 0.00 46.19 42.70 3cm6 s LEU 240 CO 0.82 -0.26 1.64 -0.65 0.23 0.00 0.00 176.35 178.12 3cm6 h PRO 241 N 5.73 -0.24 -6.92 1.29 0.11 -1.90 -3.43 132.00 126.65 3cm6 h PRO 241 Ca -0.43 0.02 -0.48 0.00 0.11 0.00 0.00 66.00 65.21 3cm6 h PRO 241 Cb 1.21 0.05 -0.00 0.00 0.11 0.00 0.00 31.00 32.38 3cm6 h PRO 241 CO 0.75 -0.16 0.19 -0.51 -0.21 0.00 0.00 178.00 178.06 3cm6 s LEU 242 N -10.49 3.84 0.07 2.35 1.43 -1.26 -4.72 118.68 109.90 3cm6 s LEU 242 Ca -0.15 1.31 0.02 0.00 -1.03 0.00 0.00 54.13 54.29 3cm6 s LEU 242 Cb 0.12 -4.19 -0.03 0.00 0.03 0.00 0.00 46.19 42.12 3cm6 s LEU 242 CO 0.68 -0.40 -0.08 0.54 0.23 0.00 0.00 176.35 177.32 3cm6 s VAL 243 N -2.33 0.66 -0.21 -1.59 0.11 0.06 -4.87 120.40 112.23 3cm6 s VAL 243 Ca 0.55 -1.45 -0.25 0.00 -2.93 0.00 0.00 61.98 57.89 3cm6 s VAL 243 Cb -0.10 -1.09 -0.01 0.00 -1.53 0.00 0.00 36.38 33.65 3cm6 s VAL 243 CO 0.27 -0.57 0.84 -0.69 -3.33 0.00 0.00 175.10 171.61 3cm6 s VAL 244 N -2.29 4.85 -0.07 2.04 1.01 -1.26 -1.01 120.40 123.67 3cm6 s VAL 244 Ca -0.00 1.62 0.02 0.00 0.00 0.00 0.00 61.98 63.62 3cm6 s VAL 244 Cb -0.04 -4.13 -0.02 0.00 0.00 0.00 0.00 36.38 32.19 3cm6 s VAL 244 CO -0.01 -0.03 -0.14 -0.89 0.00 0.00 0.00 175.10 174.03 3cm6 s THR 245 N 2.51 3.07 0.43 3.92 2.01 0.27 -4.96 115.64 122.89 3cm6 s THR 245 Ca 0.37 -0.70 -0.02 0.00 0.31 0.00 0.00 61.69 61.65 3cm6 s THR 245 Cb -0.16 -2.23 -0.03 0.00 0.01 0.00 0.00 72.50 70.09 3cm6 s THR 245 CO 0.10 0.57 0.68 0.42 -0.69 0.00 0.00 174.62 175.70 3cm6 s THR 246 N -0.40 4.72 -0.01 -0.82 -4.23 -1.26 -0.47 115.64 113.17 3cm6 s THR 246 Ca 0.04 -0.20 -0.02 0.00 -1.18 0.00 0.00 61.69 60.34 3cm6 s THR 246 Cb -0.12 -3.76 -0.00 0.00 1.34 0.00 0.00 72.50 69.95 3cm6 s THR 246 CO 0.02 -0.61 0.03 -0.51 -0.54 0.00 0.00 174.62 173.01 3cm6 s ILE 247 N -2.56 0.04 0.44 2.99 2.07 -0.40 -4.91 121.20 118.86 3cm6 s ILE 247 Ca 0.45 -0.30 -0.21 0.00 -1.41 0.00 0.00 60.65 59.18 3cm6 s ILE 247 Cb -0.10 -0.15 -0.10 0.00 0.13 0.00 0.00 42.46 42.24 3cm6 s ILE 247 CO 0.40 -0.16 1.00 -0.13 -1.91 0.00 0.00 174.94 174.14 3cm6 s ARG 248 N -0.48 4.07 0.27 3.50 0.52 -1.26 -4.61 118.95 120.95 3cm6 s ARG 248 Ca -0.05 1.29 -0.01 0.00 -0.52 0.00 0.00 55.73 56.44 3cm6 s ARG 248 Cb -0.03 -2.24 0.51 0.00 0.52 0.00 0.00 34.95 33.70 3cm6 s ARG 248 CO -0.00 -0.19 1.81 0.00 0.02 0.00 0.00 175.30 176.94 3cm6 h ALA 249 N 1.94 1.37 0.00 2.13 0.00 -1.97 -1.55 119.26 121.18 3cm6 h ALA 249 Ca -0.49 0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.42 3cm6 h ALA 249 Cb 1.20 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.84 3cm6 h ALA 249 CO 0.61 0.11 -0.19 0.78 0.00 0.00 0.00 179.25 180.57 3cm6 h GLY 250 N 0.85 0.00 -0.03 0.00 0.00 -1.97 -3.06 103.07 98.87 3cm6 h GLY 250 Ca 0.46 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.79 3cm6 h GLY 250 CO -0.28 0.00 -0.36 1.22 0.00 0.00 0.00 176.54 177.11 3cm6 n ASP 251 N -3.42 1.24 -4.77 0.19 8.00 -0.60 -4.91 116.55 112.29 3cm6 n ASP 251 Ca -0.00 -1.00 -0.38 0.00 0.71 0.00 0.00 54.79 54.11 3cm6 n ASP 251 Cb 0.38 0.27 -0.06 0.00 -0.02 0.00 0.00 41.12 41.69 3cm6 n ASP 251 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 3cm6 s PHE 252 N -2.55 3.67 0.00 1.24 5.36 -1.14 -4.97 117.98 119.59 3cm6 s PHE 252 Ca 0.21 1.78 0.01 0.00 -0.96 0.00 0.00 56.93 57.96 3cm6 s PHE 252 Cb 0.19 -3.03 -0.00 0.00 -0.34 0.00 0.00 43.02 39.83 3cm6 s PHE 252 CO 0.56 -0.01 -0.02 1.03 -1.46 0.00 0.00 175.22 175.32 3cm6 s ARG 253 N -1.83 0.20 0.44 10.12 1.81 -1.26 -5.04 118.95 123.39 3cm6 s ARG 253 Ca 0.48 -0.14 0.14 0.00 -1.72 0.00 0.00 55.73 54.49 3cm6 s ARG 253 Cb -0.23 -0.15 1.04 0.00 -0.45 0.00 0.00 34.95 35.15 3cm6 s ARG 253 CO 0.29 0.04 1.99 -0.07 -0.68 0.00 0.00 175.30 176.87 3cm6 h LEU 254 N 5.93 0.35 -0.00 2.53 3.38 -1.97 -1.90 115.31 123.63 3cm6 h LEU 254 Ca -0.26 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.71 3cm6 h LEU 254 Cb 1.20 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.89 3cm6 h LEU 254 CO 0.50 0.21 0.00 -1.84 0.09 0.00 0.00 178.44 177.40 3cm6 n GLU 255 N -4.47 0.00 0.21 1.13 0.00 -1.26 -2.00 120.64 114.25 3cm6 n GLU 255 Ca 0.09 0.26 0.15 0.00 0.00 0.00 0.00 57.16 57.65 3cm6 n GLU 255 Cb 0.36 -1.50 0.58 0.00 0.00 0.00 0.00 31.44 30.88 3cm6 n GLU 255 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.13 177.65 3cm6 h MET 256 N 0.00 0.00 -6.36 3.44 2.86 -1.71 -3.45 114.93 109.71 3cm6 h MET 256 Ca 0.00 0.00 -0.64 0.00 -2.06 0.00 0.00 59.70 57.00 3cm6 h MET 256 Cb 0.24 0.00 0.08 0.00 0.06 0.00 0.00 31.60 31.98 3cm6 h MET 256 CO 0.00 0.00 0.34 0.98 1.06 0.00 0.00 176.91 179.29 3cm6 n TYR 257 N -2.70 1.44 -0.94 -0.22 9.36 -0.85 -0.91 117.16 122.34 3cm6 n TYR 257 Ca 0.01 0.64 0.00 0.00 3.32 0.00 0.00 57.90 61.87 3cm6 n TYR 257 Cb 0.28 -2.31 0.00 0.00 -0.63 0.00 0.00 39.34 36.68 3cm6 n TYR 257 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 3cm6 n GLY 258 N 2.11 0.74 3.20 2.98 0.00 -1.26 -4.98 105.19 107.98 3cm6 n GLY 258 Ca 0.15 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.84 3cm6 n GLY 258 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3cm6 s VAL 259 N -3.13 2.22 0.00 1.61 1.01 -0.09 -0.66 120.40 121.37 3cm6 s VAL 259 Ca 0.00 -0.92 -0.30 0.00 0.00 0.00 0.00 61.98 60.75 3cm6 s VAL 259 Cb 0.00 -1.90 -0.06 0.00 0.00 0.00 0.00 36.38 34.42 3cm6 s VAL 259 CO 0.00 0.54 1.54 0.00 0.00 0.00 0.00 175.10 177.18 3cm6 h ARG 261 N 8.43 0.01 0.00 0.00 9.65 -1.90 0.50 114.38 131.06 3cm6 h ARG 261 Ca -0.39 -0.00 -0.05 0.00 -1.10 0.00 0.00 59.98 58.44 3cm6 h ARG 261 Cb 1.18 -0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 29.75 3cm6 h ARG 261 CO 0.93 0.00 -0.62 -0.92 2.80 0.00 0.00 179.97 182.16 3cm6 h TYR 262 N 0.01 0.00 0.00 2.20 3.20 -1.93 -3.40 116.97 117.05 3cm6 h TYR 262 Ca 0.17 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.04 3cm6 h TYR 262 Cb 0.68 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.95 3cm6 h TYR 262 CO -0.00 0.33 -0.43 0.00 -1.64 0.00 0.00 178.16 176.42 3cm6 n ARG 264 N -1.81 -1.53 -2.09 0.00 5.12 0.16 -4.99 116.66 111.53 3cm6 n ARG 264 Ca 0.05 0.38 -0.28 0.00 -1.93 0.00 0.00 57.85 56.07 3cm6 n ARG 264 Cb 0.39 -4.67 0.05 0.00 -1.16 0.00 0.00 32.46 27.06 3cm6 n ARG 264 CO 0.00 0.00 0.00 0.15 -1.93 0.00 0.00 177.63 175.85 3cm6 s LYS 265 N -1.63 2.77 0.67 5.56 1.02 -1.26 -4.68 119.74 122.18 3cm6 s LYS 265 Ca 0.00 0.22 -0.15 0.00 0.02 0.00 0.00 55.97 56.06 3cm6 s LYS 265 Cb 0.00 -2.12 0.00 0.00 -0.52 0.00 0.00 37.83 35.20 3cm6 s LYS 265 CO 0.00 -0.97 1.11 0.20 -0.92 0.00 0.00 175.35 174.77 3cm6 s GLY 266 N -4.37 2.14 -0.00 -3.33 0.00 -1.26 -1.08 107.32 99.42 3cm6 s GLY 266 Ca 0.57 0.55 0.08 0.00 0.00 0.00 0.00 44.72 45.92 3cm6 s GLY 266 CO 0.49 0.90 1.20 1.03 0.00 0.00 0.00 173.10 176.71 3cm6 n MET 267 N -2.47 1.68 0.04 2.90 2.81 0.17 -1.86 117.12 120.39 3cm6 n MET 267 Ca 0.10 -1.01 0.11 0.00 -1.81 0.00 0.00 57.70 55.10 3cm6 n MET 267 Cb 0.52 -1.24 0.07 0.00 -0.71 0.00 0.00 33.22 31.86 3cm6 n MET 267 CO 0.00 0.00 0.00 -0.40 1.51 0.00 0.00 175.97 177.08 3cm6 n ASP 268 N 0.32 0.64 -0.02 7.83 5.75 -1.26 -4.53 116.55 125.26 3cm6 n ASP 268 Ca 0.09 -0.10 -0.03 0.00 -0.01 0.00 0.00 54.79 54.74 3cm6 n ASP 268 Cb 0.25 0.59 -0.01 0.00 -1.03 0.00 0.00 41.12 40.92 3cm6 n ASP 268 CO 0.00 0.00 0.00 0.52 -0.11 0.00 0.00 177.20 177.61 3cm6 n VAL 269 N -2.01 0.71 -1.65 2.12 0.31 -1.01 -4.89 118.33 111.92 3cm6 n VAL 269 Ca 0.02 0.29 -0.45 0.00 -0.01 0.00 0.00 64.34 64.19 3cm6 n VAL 269 Cb 0.44 -1.74 -0.03 0.00 -0.91 0.00 0.00 33.84 31.60 3cm6 n VAL 269 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3cm6 n GLY 271 N 1.92 2.60 0.23 0.00 0.00 -1.26 -4.70 105.19 103.97 3cm6 n GLY 271 Ca 0.11 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.23 3cm6 n GLY 271 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3cm6 h THR 272 N 0.00 0.64 -3.93 2.61 1.35 -1.86 -3.43 112.91 108.28 3cm6 h THR 272 Ca 0.00 -0.96 -0.20 0.00 -0.55 0.00 0.00 66.41 64.70 3cm6 h THR 272 Cb 0.00 1.62 -0.22 0.00 -1.73 0.00 0.00 68.15 67.82 3cm6 h THR 272 CO 0.00 0.21 -0.71 -0.94 -0.25 0.00 0.00 175.52 173.83 3cm6 s SER 273 N -6.24 0.31 0.06 5.36 1.04 -1.26 -5.12 113.70 107.85 3cm6 s SER 273 Ca -0.01 -0.41 -0.31 0.00 0.48 0.00 0.00 55.95 55.71 3cm6 s SER 273 Cb 0.12 0.07 -0.08 0.00 0.10 0.00 0.00 66.02 66.22 3cm6 s SER 273 CO 0.63 -0.22 1.65 -2.28 0.98 0.00 0.00 173.24 174.00 3cm6 s HIS 274 N -1.15 2.40 -1.00 5.02 2.46 -1.26 -4.88 115.29 116.87 3cm6 s HIS 274 Ca -0.12 0.31 0.26 0.00 0.47 0.00 0.00 55.06 55.98 3cm6 s HIS 274 Cb -0.08 -3.96 0.68 0.00 -0.13 0.00 0.00 32.58 29.09 3cm6 s HIS 274 CO -0.01 -3.87 1.54 1.04 -2.47 0.00 0.00 174.74 170.97 3cm6 n GLN 275 N 5.66 0.00 -2.77 2.88 1.13 -1.26 -4.24 117.38 118.79 3cm6 n GLN 275 Ca 0.16 -0.00 -0.03 0.00 -1.94 0.00 0.00 57.00 55.18 3cm6 n GLN 275 Cb 0.41 -1.50 0.05 0.00 0.11 0.00 0.00 30.24 29.30 3cm6 n GLN 275 CO 0.00 0.00 0.00 1.04 -1.44 0.00 0.00 177.06 176.66 3cm6 n GLN 276 N -1.50 1.49 -1.65 -1.09 6.02 -1.26 -5.07 117.38 114.33 3cm6 n GLN 276 Ca 0.06 -3.32 -0.58 0.00 -0.01 0.00 0.00 57.00 53.15 3cm6 n GLN 276 Cb 0.34 -1.39 -0.07 0.00 1.02 0.00 0.00 30.24 30.14 3cm6 n GLN 276 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 177.06 178.46 3cm6 n THR 277 N -0.43 0.11 -1.98 5.09 -1.04 -1.26 -4.79 114.28 109.99 3cm6 n THR 277 Ca 0.07 -0.02 -0.42 0.00 -2.04 0.00 0.00 64.05 61.64 3cm6 n THR 277 Cb 0.81 -0.79 0.00 0.00 -1.82 0.00 0.00 70.33 68.53 3cm6 n THR 277 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 3cm6 n PRO 278 N 3.68 3.08 -0.07 -2.82 -0.04 -1.26 -4.77 135.00 132.79 3cm6 n PRO 278 Ca 0.24 -2.91 0.09 0.00 -0.04 0.00 0.00 63.50 60.88 3cm6 n PRO 278 Cb 0.11 -3.22 0.46 0.00 -0.04 0.00 0.00 33.50 30.82 3cm6 n PRO 278 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 3cm6 h HIS 279 N 6.10 0.50 -0.14 0.54 3.86 -1.97 -1.39 115.15 122.65 3cm6 h HIS 279 Ca 0.51 0.01 0.04 0.00 -1.16 0.00 0.00 60.37 59.77 3cm6 h HIS 279 Cb 0.66 -0.16 -0.01 0.00 1.06 0.00 0.00 27.41 28.96 3cm6 h HIS 279 CO 1.40 0.26 0.16 0.38 0.86 0.00 0.00 177.93 181.00 3cm6 h ASP 280 N 0.49 0.00 0.21 2.45 2.03 -2.00 -1.72 116.42 117.88 3cm6 h ASP 280 Ca 0.25 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.55 3cm6 h ASP 280 Cb 0.35 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.85 3cm6 h ASP 280 CO -0.07 0.00 -0.85 0.18 -1.03 0.00 0.00 179.24 177.47 3cm6 n LEU 281 N -3.75 0.78 -1.36 0.15 4.77 -0.53 -4.38 117.00 112.68 3cm6 n LEU 281 Ca 0.01 -0.28 0.08 0.00 -0.03 0.00 0.00 56.01 55.79 3cm6 n LEU 281 Cb 0.28 -0.09 0.32 0.00 -2.33 0.00 0.00 43.42 41.59 3cm6 n LEU 281 CO 0.27 0.18 0.78 -1.22 -1.33 0.00 0.00 177.39 176.07 3cm6 n TYR 282 N -1.56 1.34 -0.02 -1.77 4.01 -0.65 -4.55 117.16 113.97 3cm6 n TYR 282 Ca 0.04 -0.68 0.00 0.00 -0.16 0.00 0.00 57.90 57.10 3cm6 n TYR 282 Cb 0.35 -0.29 -0.05 0.00 -0.31 0.00 0.00 39.34 39.04 3cm6 n TYR 282 CO 0.00 0.00 0.00 0.36 -0.46 0.00 0.00 176.86 176.76 3cm6 n LYS 283 N 0.56 1.63 -2.18 -0.72 2.85 -1.24 -4.79 118.16 114.28 3cm6 n LYS 283 Ca 0.23 -0.03 -0.31 0.00 -1.05 0.00 0.00 58.31 57.16 3cm6 n LYS 283 Cb 0.89 -1.15 -0.05 0.00 -0.65 0.00 0.00 35.03 34.07 3cm6 n LYS 283 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 177.40 178.56 3cm6 s ASN 284 N -3.25 5.45 0.63 -5.58 2.47 -1.26 -4.80 114.94 108.60 3cm6 s ASN 284 Ca -0.03 -1.36 0.42 0.00 0.42 0.00 0.00 52.86 52.31 3cm6 s ASN 284 Cb 0.03 -2.58 2.28 0.00 -1.45 0.00 0.00 41.25 39.53 3cm6 s ASN 284 CO 0.26 -2.56 2.29 -0.08 -3.72 0.00 0.00 177.10 173.28 3cm6 h GLU 285 N 10.07 0.00 0.00 0.43 4.81 -1.95 -2.53 114.58 125.41 3cm6 h GLU 285 Ca 0.20 0.00 -0.18 0.00 -0.13 0.00 0.00 59.36 59.25 3cm6 h GLU 285 Cb 0.96 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.32 3cm6 h GLU 285 CO 1.27 0.00 -0.86 0.93 -0.73 0.00 0.00 179.01 179.62 3cm6 h GLU 286 N 0.00 0.01 -2.24 1.92 3.07 -2.01 -3.37 114.58 111.96 3cm6 h GLU 286 Ca 0.00 -0.01 -0.60 0.00 -0.50 0.00 0.00 59.36 58.25 3cm6 h GLU 286 Cb 0.01 0.00 -0.42 0.00 -0.84 0.00 0.00 28.75 27.51 3cm6 h GLU 286 CO 0.00 0.86 -0.60 -3.47 -1.40 0.00 0.00 179.01 174.40 3cm6 n ASP 287 N -3.53 4.14 -4.82 1.42 2.03 -0.95 -5.11 116.55 109.73 3cm6 n ASP 287 Ca -0.01 -3.56 -0.32 0.00 0.52 0.00 0.00 54.79 51.42 3cm6 n ASP 287 Cb 0.81 -0.63 0.01 0.00 -0.72 0.00 0.00 41.12 40.60 3cm6 n ASP 287 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 3cm6 s PRO 288 N -2.95 3.34 -0.52 -0.67 0.05 -1.26 -4.97 135.00 128.02 3cm6 s PRO 288 Ca 0.44 1.06 -0.21 0.00 0.05 0.00 0.00 61.00 62.34 3cm6 s PRO 288 Cb 0.21 -2.04 0.05 0.00 0.05 0.00 0.00 34.50 32.77 3cm6 s PRO 288 CO -0.07 -0.79 0.75 0.42 0.05 0.00 0.00 177.00 177.36 3cm6 s ILE 289 N -2.70 4.68 0.15 0.56 1.01 -1.26 -4.96 121.20 118.69 3cm6 s ILE 289 Ca 0.61 -0.18 -0.17 0.00 0.00 0.00 0.00 60.65 60.91 3cm6 s ILE 289 Cb -0.14 -4.39 0.00 0.00 0.01 0.00 0.00 42.46 37.94 3cm6 s ILE 289 CO 0.42 -0.92 1.76 -0.74 0.00 0.00 0.00 174.94 175.46 3cm6 h HIS 290 N 9.12 0.24 0.00 3.97 -0.00 -1.94 -0.72 115.15 125.82 3cm6 h HIS 290 Ca -0.27 0.02 -0.06 0.00 -0.00 0.00 0.00 60.37 60.06 3cm6 h HIS 290 Cb 1.09 -0.06 -0.01 0.00 -0.00 0.00 0.00 27.41 28.43 3cm6 h HIS 290 CO 0.81 0.12 -0.29 0.27 -0.00 0.00 0.00 177.93 178.84 3cm6 h PHE 291 N 0.29 0.00 -0.07 5.26 -0.00 -1.89 0.31 116.94 120.83 3cm6 h PHE 291 Ca 0.14 0.00 -0.22 0.00 -0.00 0.00 0.00 57.97 57.90 3cm6 h PHE 291 Cb 0.09 0.00 0.01 0.00 -0.00 0.00 0.00 35.95 36.05 3cm6 h PHE 291 CO -0.12 0.29 -0.80 0.00 -0.00 0.00 0.00 178.31 177.68 3cm6 h ALA 292 N 1.71 0.19 0.26 12.09 0.00 -1.82 -3.08 119.26 128.61 3cm6 h ALA 292 Ca -0.00 -0.61 -0.01 0.00 0.00 0.00 0.00 54.91 54.28 3cm6 h ALA 292 Cb 0.56 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.38 3cm6 h ALA 292 CO 0.04 0.58 -0.12 0.87 0.00 0.00 0.00 179.25 180.62 3cm6 h LYS 293 N 0.33 -0.33 0.00 0.00 1.79 -0.53 -0.97 116.57 116.86 3cm6 h LYS 293 Ca -0.08 0.02 -0.03 0.00 -2.18 0.00 0.00 60.65 58.38 3cm6 h LYS 293 Cb 1.45 0.08 -0.00 0.00 -1.58 0.00 0.00 32.23 32.17 3cm6 h LYS 293 CO 0.16 -0.19 -0.16 0.97 -1.08 0.00 0.00 179.45 179.15 3cm6 h ILE 294 N -0.39 0.67 -0.01 1.86 2.10 -1.07 -1.23 117.51 119.45 3cm6 h ILE 294 Ca -0.04 -0.67 0.00 0.00 1.08 0.00 0.00 64.86 65.23 3cm6 h ILE 294 Cb 0.30 1.42 0.00 0.00 -1.09 0.00 0.00 36.82 37.45 3cm6 h ILE 294 CO 0.06 0.16 -0.30 0.00 -1.08 0.00 0.00 178.15 176.98 3cm6 n ALA 295 N -2.31 3.16 -1.98 0.18 0.00 -1.16 -4.95 120.51 113.45 3cm6 n ALA 295 Ca -0.02 -0.37 -0.00 0.00 0.00 0.00 0.00 53.44 53.05 3cm6 n ALA 295 Cb 0.27 -1.16 -0.00 0.00 0.00 0.00 0.00 19.45 18.57 3cm6 n ALA 295 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3cm6 n GLY 296 N 1.38 0.37 0.22 0.00 0.00 -0.46 -4.81 105.19 101.88 3cm6 n GLY 296 Ca 0.10 -0.89 0.11 0.00 0.00 0.00 0.00 46.02 45.34 3cm6 n GLY 296 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 3cm6 h TYR 297 N 0.00 0.00 0.00 1.61 -1.99 -1.40 -3.50 116.97 111.69 3cm6 h TYR 297 Ca -0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 3cm6 h TYR 297 Cb 0.98 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.71 3cm6 h TYR 297 CO 0.00 0.15 0.00 2.48 -0.00 0.00 0.00 178.16 180.79