#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2v6t n ALA 5 N 0.00 0.00 -1.82 1.47 0.00 -1.26 -4.82 120.51 114.08 2v6t n ALA 5 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.23 2v6t n ALA 5 Cb 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.36 2v6t n ALA 5 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 2v6t s ARG 6 N 0.00 1.79 0.01 0.00 3.00 -1.26 -4.83 118.95 117.66 2v6t s ARG 6 Ca 0.00 -0.74 -0.02 0.00 -1.00 0.00 0.00 55.73 53.97 2v6t s ARG 6 Cb 0.00 -5.10 -0.01 0.00 0.00 0.00 0.00 34.95 29.84 2v6t s ARG 6 CO 0.00 -4.78 0.04 1.28 0.00 0.00 0.00 175.30 171.84 2v6t n LEU 7 N 17.23 -0.07 -4.72 -0.88 4.32 -0.89 -4.86 117.00 127.11 2v6t n LEU 7 Ca 0.43 0.07 -0.33 0.00 -0.02 0.00 0.00 56.01 56.16 2v6t n LEU 7 Cb 0.47 -0.06 -0.08 0.00 -1.62 0.00 0.00 43.42 42.12 2v6t n LEU 7 CO 0.63 -0.19 -0.29 0.00 -1.22 0.00 0.00 177.39 176.32 2v6t s ALA 8 N -0.06 3.41 0.27 -1.18 0.00 -1.26 -4.55 121.76 118.38 2v6t s ALA 8 Ca 0.04 -0.88 -0.27 0.00 0.00 0.00 0.00 51.96 50.85 2v6t s ALA 8 Cb -0.06 -1.48 -0.15 0.00 0.00 0.00 0.00 23.12 21.43 2v6t s ALA 8 CO 0.04 0.65 0.70 0.00 0.00 0.00 0.00 175.76 177.14 2v6t n ALA 9 N 1.51 -1.69 -0.33 0.00 0.00 -1.26 -0.48 120.51 118.25 2v6t n ALA 9 Ca -0.15 0.38 -0.00 0.00 0.00 0.00 0.00 53.44 53.67 2v6t n ALA 9 Cb 0.53 -1.78 -0.00 0.00 0.00 0.00 0.00 19.45 18.19 2v6t n ALA 9 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2v6t n ASN 10 N 1.63 -0.41 -4.58 0.00 3.02 -1.26 -4.90 115.26 108.76 2v6t n ASN 10 Ca 0.14 0.01 -0.38 0.00 -0.03 0.00 0.00 54.58 54.32 2v6t n ASN 10 Cb 0.30 -0.73 0.05 0.00 -0.61 0.00 0.00 39.78 38.78 2v6t n ASN 10 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 2v6t n SER 11 N 2.21 0.35 -0.25 6.41 2.88 0.36 -4.76 113.62 120.83 2v6t n SER 11 Ca -0.00 0.80 -0.08 0.00 -1.33 0.00 0.00 58.87 58.26 2v6t n SER 11 Cb 0.04 -1.33 0.04 0.00 -0.75 0.00 0.00 64.21 62.21 2v6t n SER 11 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2v6t h ALA 12 N 0.49 0.91 0.03 -1.46 0.00 -1.91 -0.52 119.26 116.81 2v6t h ALA 12 Ca -0.47 -0.26 0.03 0.00 0.00 0.00 0.00 54.91 54.21 2v6t h ALA 12 Cb 1.37 -0.26 -0.05 0.00 0.00 0.00 0.00 17.79 18.85 2v6t h ALA 12 CO 0.50 0.66 -0.33 -0.09 0.00 0.00 0.00 179.25 179.99 2v6t h ARG 13 N 1.05 -0.48 0.05 0.00 9.65 -1.94 -2.08 114.38 120.64 2v6t h ARG 13 Ca 0.21 0.03 0.00 0.00 -1.10 0.00 0.00 59.98 59.13 2v6t h ARG 13 Cb 0.40 0.11 -0.01 0.00 -1.39 0.00 0.00 29.97 29.08 2v6t h ARG 13 CO 0.01 -0.32 -0.15 1.25 2.80 0.00 0.00 179.97 183.56 2v6t h LEU 14 N -0.50 -0.44 -1.98 3.80 6.46 -1.81 -0.62 115.31 120.21 2v6t h LEU 14 Ca 0.05 0.04 0.37 0.00 -0.12 0.00 0.00 57.88 58.23 2v6t h LEU 14 Cb 0.58 0.16 -0.05 0.00 -0.73 0.00 0.00 40.66 40.61 2v6t h LEU 14 CO -0.26 -0.16 0.93 -0.07 -0.62 0.00 0.00 178.44 178.26 2v6t h LEU 15 N -0.23 0.00 -0.05 2.25 3.38 -1.06 -0.66 115.31 118.94 2v6t h LEU 15 Ca -0.00 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 2v6t h LEU 15 Cb 0.22 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.97 2v6t h LEU 15 CO -0.07 0.00 -0.06 -0.61 0.09 0.00 0.00 178.44 177.79 2v6t h GLN 16 N 0.00 0.13 -0.05 1.13 4.15 -0.39 -2.42 115.11 117.65 2v6t h GLN 16 Ca 0.61 -0.07 0.02 0.00 0.77 0.00 0.00 58.65 59.98 2v6t h GLN 16 Cb 2.46 0.00 -0.03 0.00 0.21 0.00 0.00 27.48 30.13 2v6t h GLN 16 CO -0.01 0.59 -0.10 -0.07 -1.93 0.00 0.00 178.83 177.32 2v6t h LEU 17 N -0.33 -0.29 -1.98 -2.39 3.38 -0.62 -2.54 115.31 110.55 2v6t h LEU 17 Ca 0.01 0.05 0.17 0.00 0.09 0.00 0.00 57.88 58.19 2v6t h LEU 17 Cb 0.57 0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.43 2v6t h LEU 17 CO 0.01 -0.13 0.49 -0.74 0.09 0.00 0.00 178.44 178.16 2v6t h HIS 18 N -0.14 0.00 0.00 1.13 2.76 -1.20 0.36 115.15 118.06 2v6t h HIS 18 Ca 0.06 0.00 -0.03 0.00 -2.20 0.00 0.00 60.37 58.19 2v6t h HIS 18 Cb 0.22 0.00 -0.00 0.00 1.55 0.00 0.00 27.41 29.17 2v6t h HIS 18 CO -0.19 0.00 -0.15 -0.22 -1.30 0.00 0.00 177.93 176.07 2v6t h LYS 19 N 0.00 0.00 -0.00 5.26 3.11 -0.98 -2.71 116.57 121.25 2v6t h LYS 19 Ca 0.27 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 58.11 2v6t h LYS 19 Cb 1.24 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 32.47 2v6t h LYS 19 CO -0.00 0.15 -0.01 0.25 -2.81 0.00 0.00 179.45 177.03 2v6t n THR 20 N -4.27 0.00 -2.71 1.00 -2.24 0.13 -3.91 114.28 102.27 2v6t n THR 20 Ca -0.02 -0.01 -0.04 0.00 -2.27 0.00 0.00 64.05 61.70 2v6t n THR 20 Cb 0.22 -0.44 0.09 0.00 -2.10 0.00 0.00 70.33 68.11 2v6t n THR 20 CO 0.00 0.00 0.00 0.55 -0.57 0.00 0.00 175.07 175.05 2v6t n VAL 21 N -1.03 0.44 0.21 2.28 3.14 -1.03 -4.91 118.33 117.43 2v6t n VAL 21 Ca 0.20 -1.88 0.17 0.00 -2.96 0.00 0.00 64.34 59.88 2v6t n VAL 21 Cb 0.17 1.02 0.83 0.00 -1.06 0.00 0.00 33.84 34.80 2v6t n VAL 21 CO 0.00 0.00 0.00 1.55 -6.46 0.00 0.00 176.83 171.92 2v6t h PRO 22 N 1.92 0.00 0.00 1.45 0.13 -1.66 -2.62 132.00 131.23 2v6t h PRO 22 Ca -0.28 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 2v6t h PRO 22 Cb 1.27 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.40 2v6t h PRO 22 CO 0.03 0.00 0.00 1.04 -0.23 0.00 0.00 178.00 178.84 2v6t n GLN 23 N -3.82 0.25 -3.67 0.86 1.13 -1.26 -4.77 117.38 106.11 2v6t n GLN 23 Ca 0.01 0.12 -0.37 0.00 -1.94 0.00 0.00 57.00 54.82 2v6t n GLN 23 Cb 0.32 -1.50 -0.06 0.00 0.11 0.00 0.00 30.24 29.11 2v6t n GLN 23 CO 0.00 0.00 0.00 -1.58 -1.44 0.00 0.00 177.06 174.04 2v6t s TRP 24 N -2.55 3.65 -0.09 1.08 0.52 -0.99 -4.87 118.94 115.70 2v6t s TRP 24 Ca 0.16 0.76 -0.11 0.00 0.02 0.00 0.00 56.10 56.93 2v6t s TRP 24 Cb 0.11 -2.14 -0.05 0.00 -1.15 0.00 0.00 33.47 30.24 2v6t s TRP 24 CO 0.25 0.65 0.27 -1.01 0.02 0.00 0.00 176.95 177.13 2v6t s HIS 25 N -0.92 3.61 -0.02 -1.98 3.76 -0.55 -4.90 115.29 114.29 2v6t s HIS 25 Ca 0.19 0.71 -0.23 0.00 -0.15 0.00 0.00 55.06 55.58 2v6t s HIS 25 Cb -0.14 -2.16 -0.05 0.00 1.11 0.00 0.00 32.58 31.34 2v6t s HIS 25 CO 0.09 0.58 0.67 -0.51 -0.85 0.00 0.00 174.74 174.72 2v6t s LEU 26 N -0.68 4.38 0.62 0.89 1.02 -1.26 -1.24 118.68 122.40 2v6t s LEU 26 Ca 0.18 1.23 -0.18 0.00 0.02 0.00 0.00 54.13 55.38 2v6t s LEU 26 Cb -0.14 -3.05 -0.03 0.00 0.02 0.00 0.00 46.19 42.99 2v6t s LEU 26 CO 0.07 -0.01 1.12 0.35 0.02 0.00 0.00 176.35 177.90 2v6t n THR 27 N 3.21 4.25 -3.26 5.49 -2.24 -0.32 -4.97 114.28 116.44 2v6t n THR 27 Ca -0.03 -0.50 -0.21 0.00 -2.27 0.00 0.00 64.05 61.03 2v6t n THR 27 Cb 0.51 -1.32 0.02 0.00 -2.10 0.00 0.00 70.33 67.44 2v6t n THR 27 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 2v6t n ASP 28 N -1.26 -6.57 -4.21 3.42 9.92 -1.26 -3.42 116.55 113.17 2v6t n ASP 28 Ca 0.14 -0.01 -0.28 0.00 -0.53 0.00 0.00 54.79 54.12 2v6t n ASP 28 Cb 0.47 -3.44 -0.16 0.00 -0.64 0.00 0.00 41.12 37.35 2v6t n ASP 28 CO 0.00 0.00 0.00 -0.83 0.13 0.00 0.00 177.20 176.50 2v6t s GLY 29 N -2.27 1.05 -1.14 0.44 0.00 -1.26 -3.51 107.32 100.64 2v6t s GLY 29 Ca 0.24 -0.87 -0.09 0.00 0.00 0.00 0.00 44.72 44.00 2v6t s GLY 29 CO 0.83 -0.60 1.26 1.42 0.00 0.00 0.00 173.10 176.00 2v6t n HIS 30 N 2.82 4.77 0.31 1.90 -0.00 -1.23 -4.92 115.22 118.89 2v6t n HIS 30 Ca -0.17 -3.60 0.12 0.00 -0.00 0.00 0.00 57.72 54.08 2v6t n HIS 30 Cb 0.53 -1.76 0.20 0.00 -0.00 0.00 0.00 29.99 28.95 2v6t n HIS 30 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 176.34 176.27 2v6t h LEU 31 N 7.17 0.00 -7.62 2.41 3.38 -1.59 -3.39 115.31 115.67 2v6t h LEU 31 Ca 0.22 -0.01 0.22 0.00 0.09 0.00 0.00 57.88 58.39 2v6t h LEU 31 Cb 0.83 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 41.50 2v6t h LEU 31 CO 1.13 0.01 0.60 -0.94 0.09 0.00 0.00 178.44 179.32 2v6t s SER 32 N -5.62 -0.11 -0.05 -0.43 1.04 -1.26 -3.17 113.70 104.09 2v6t s SER 32 Ca 0.07 -0.38 0.02 0.00 0.48 0.00 0.00 55.95 56.14 2v6t s SER 32 Cb 0.08 0.40 0.01 0.00 0.10 0.00 0.00 66.02 66.61 2v6t s SER 32 CO 0.67 -0.76 -0.10 0.27 0.98 0.00 0.00 173.24 174.31 2v6t s ILE 33 N -2.85 0.92 0.18 -1.02 -4.36 -0.74 -1.17 121.20 112.15 2v6t s ILE 33 Ca 0.15 -0.37 0.06 0.00 -0.26 0.00 0.00 60.65 60.22 2v6t s ILE 33 Cb -0.00 -0.85 -0.04 0.00 1.25 0.00 0.00 42.46 42.82 2v6t s ILE 33 CO 0.01 0.30 0.09 -0.54 0.24 0.00 0.00 174.94 175.05 2v6t s LYS 34 N 0.57 2.73 -0.03 0.37 1.02 -0.37 -1.46 119.74 122.56 2v6t s LYS 34 Ca -0.11 -0.98 -0.29 0.00 0.02 0.00 0.00 55.97 54.62 2v6t s LYS 34 Cb -0.14 -2.53 0.09 0.00 -0.52 0.00 0.00 37.83 34.74 2v6t s LYS 34 CO 0.02 0.46 0.81 0.50 -0.92 0.00 0.00 175.35 176.22 2v6t s ARG 35 N -3.14 0.91 -0.13 1.68 3.52 -0.63 -1.48 118.95 119.68 2v6t s ARG 35 Ca 0.30 -0.04 -0.00 0.00 -0.13 0.00 0.00 55.73 55.86 2v6t s ARG 35 Cb -0.09 0.42 0.02 0.00 -1.56 0.00 0.00 34.95 33.74 2v6t s ARG 35 CO 0.22 -0.34 -0.10 0.21 -0.81 0.00 0.00 175.30 174.49 2v6t s LYS 36 N -2.09 1.77 0.15 5.12 2.20 -1.26 -1.00 119.74 124.64 2v6t s LYS 36 Ca -0.02 -0.36 -0.08 0.00 -0.36 0.00 0.00 55.97 55.15 2v6t s LYS 36 Cb -0.01 -1.76 -0.06 0.00 -1.51 0.00 0.00 37.83 34.49 2v6t s LYS 36 CO -0.01 -0.26 0.45 -0.06 -0.36 0.00 0.00 175.35 175.11 2v6t s PHE 37 N 1.64 3.50 -0.05 4.03 0.40 0.18 -4.95 117.98 122.71 2v6t s PHE 37 Ca 0.05 0.75 -0.00 0.00 -0.60 0.00 0.00 56.93 57.13 2v6t s PHE 37 Cb -0.13 -2.15 0.03 0.00 0.51 0.00 0.00 43.02 41.28 2v6t s PHE 37 CO -0.09 0.40 -0.01 -1.14 0.70 0.00 0.00 175.22 175.09 2v6t s GLN 38 N -2.47 0.56 0.37 0.44 2.00 -1.26 -1.89 119.66 117.41 2v6t s GLN 38 Ca 0.41 0.07 0.07 0.00 -2.00 0.00 0.00 55.36 53.90 2v6t s GLN 38 Cb -0.12 -0.81 -0.07 0.00 0.80 0.00 0.00 33.01 32.80 2v6t s GLN 38 CO 0.21 -0.22 -0.00 -0.06 -0.50 0.00 0.00 175.29 174.73 2v6t s PHE 39 N 1.54 2.34 0.08 1.67 0.40 -0.24 -5.01 117.98 118.76 2v6t s PHE 39 Ca -0.02 -0.71 -0.32 0.00 -0.60 0.00 0.00 56.93 55.28 2v6t s PHE 39 Cb -0.13 -1.56 -0.15 0.00 0.51 0.00 0.00 43.02 41.69 2v6t s PHE 39 CO -0.03 0.36 1.51 0.77 0.70 0.00 0.00 175.22 178.53 2v6t h SER 40 N 1.92 -1.32 -4.31 1.36 0.02 -1.94 -3.45 113.55 105.84 2v6t h SER 40 Ca -0.43 0.12 -0.43 0.00 -0.84 0.00 0.00 61.79 60.21 2v6t h SER 40 Cb 1.24 0.45 -0.09 0.00 0.14 0.00 0.00 62.40 64.14 2v6t h SER 40 CO 0.76 -0.58 -0.34 -0.90 -1.14 0.00 0.00 176.83 174.63 2v6t n ASP 41 N -5.23 1.92 -0.10 3.07 5.68 -1.26 -4.85 116.55 115.78 2v6t n ASP 41 Ca -0.10 -2.57 -0.06 0.00 -0.50 0.00 0.00 54.79 51.56 2v6t n ASP 41 Cb 0.41 0.54 0.02 0.00 -1.14 0.00 0.00 41.12 40.94 2v6t n ASP 41 CO 0.00 0.00 0.00 0.15 -1.33 0.00 0.00 177.20 176.02 2v6t h PHE 42 N 1.36 0.18 -0.74 2.11 3.57 -1.89 -2.87 116.94 118.66 2v6t h PHE 42 Ca -0.26 0.02 0.17 0.00 3.53 0.00 0.00 57.97 61.43 2v6t h PHE 42 Cb 0.89 -0.03 -0.12 0.00 2.79 0.00 0.00 35.95 39.48 2v6t h PHE 42 CO 0.00 0.06 0.09 -0.97 -2.23 0.00 0.00 178.31 175.26 2v6t h ASN 43 N 0.24 -0.16 0.11 0.41 -0.73 -1.96 0.27 115.58 113.75 2v6t h ASN 43 Ca 0.17 0.17 -0.01 0.00 1.87 0.00 0.00 56.30 58.50 2v6t h ASN 43 Cb 0.16 0.27 0.00 0.00 0.27 0.00 0.00 38.32 39.02 2v6t h ASN 43 CO -0.19 -0.11 -0.05 -0.33 -0.37 0.00 0.00 177.43 176.37 2v6t h GLU 44 N 0.18 -0.14 -0.91 6.67 5.08 -1.97 -1.89 114.58 121.59 2v6t h GLU 44 Ca 0.41 0.01 0.11 0.00 -1.00 0.00 0.00 59.36 58.89 2v6t h GLU 44 Cb 0.72 0.03 -0.07 0.00 0.50 0.00 0.00 28.75 29.93 2v6t h GLU 44 CO -0.58 -0.03 0.59 0.00 -1.00 0.00 0.00 179.01 177.98 2v6t h ALA 45 N 0.67 1.64 -0.11 3.43 0.00 -0.71 0.13 119.26 124.32 2v6t h ALA 45 Ca -0.01 0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.80 2v6t h ALA 45 Cb 0.17 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.77 2v6t h ALA 45 CO 0.02 0.15 -0.32 2.35 0.00 0.00 0.00 179.25 181.45 2v6t h TRP 46 N 0.88 0.53 -0.61 0.00 2.91 -0.48 0.16 115.95 119.34 2v6t h TRP 46 Ca 0.43 -0.21 0.12 0.00 1.13 0.00 0.00 58.89 60.36 2v6t h TRP 46 Cb 0.47 -0.09 -0.12 0.00 -0.51 0.00 0.00 29.16 28.91 2v6t h TRP 46 CO -0.00 0.94 -0.25 0.78 -1.03 0.00 0.00 178.44 178.87 2v6t h GLY 47 N -0.03 0.17 0.00 2.65 0.00 -0.41 0.80 103.07 106.25 2v6t h GLY 47 Ca -0.01 0.33 0.00 0.00 0.00 0.00 0.00 47.33 47.65 2v6t h GLY 47 CO 0.07 -0.23 0.00 0.33 0.00 0.00 0.00 176.54 176.71 2v6t n PHE 48 N -5.44 0.00 -0.28 5.60 7.35 0.33 -2.55 117.46 122.46 2v6t n PHE 48 Ca 0.06 0.00 0.09 0.00 -0.76 0.00 0.00 57.45 56.84 2v6t n PHE 48 Cb 0.35 -0.42 0.25 0.00 0.35 0.00 0.00 39.48 40.00 2v6t n PHE 48 CO 0.00 0.00 0.00 0.52 -0.76 0.00 0.00 176.76 176.52 2v6t h MET 49 N 0.00 0.41 -0.70 -4.13 2.86 0.10 -0.98 114.93 112.50 2v6t h MET 49 Ca 0.00 -0.02 0.15 0.00 -2.06 0.00 0.00 59.70 57.77 2v6t h MET 49 Cb 0.00 -0.09 -0.12 0.00 0.06 0.00 0.00 31.60 31.45 2v6t h MET 49 CO 0.00 0.27 0.02 0.77 1.06 0.00 0.00 176.91 179.03 2v6t h SER 50 N 0.42 -0.29 -0.27 1.22 0.02 0.68 0.27 113.55 115.60 2v6t h SER 50 Ca 0.49 0.17 -0.15 0.00 -0.84 0.00 0.00 61.79 61.47 2v6t h SER 50 Cb 0.84 0.30 -0.01 0.00 0.14 0.00 0.00 62.40 63.67 2v6t h SER 50 CO -0.47 -0.14 -0.36 0.03 -1.14 0.00 0.00 176.83 174.74 2v6t h ARG 51 N 0.12 0.81 -0.43 3.45 3.08 -0.90 -2.71 114.38 117.80 2v6t h ARG 51 Ca 0.38 -0.41 -0.06 0.00 0.07 0.00 0.00 59.98 59.96 2v6t h ARG 51 Cb 0.64 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.67 2v6t h ARG 51 CO -0.60 1.04 0.02 0.28 -1.07 0.00 0.00 179.97 179.64 2v6t h VAL 52 N 0.67 1.22 -0.28 2.04 2.07 -0.69 -1.94 116.25 119.35 2v6t h VAL 52 Ca 0.06 -0.89 0.06 0.00 0.82 0.00 0.00 66.70 66.75 2v6t h VAL 52 Cb 0.92 0.88 -0.05 0.00 -1.52 0.00 0.00 31.29 31.52 2v6t h VAL 52 CO 0.08 0.31 -0.07 0.00 0.02 0.00 0.00 177.57 177.92 2v6t h ALA 53 N 1.38 0.18 -0.27 1.67 0.00 -0.33 -0.21 119.26 121.68 2v6t h ALA 53 Ca 0.13 0.11 -0.00 0.00 0.00 0.00 0.00 54.91 55.15 2v6t h ALA 53 Cb 0.38 0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 2v6t h ALA 53 CO 0.01 -0.47 0.16 -0.07 0.00 0.00 0.00 179.25 178.89 2v6t h LEU 54 N -0.00 0.33 -0.28 0.00 3.38 -1.06 -1.88 115.31 115.80 2v6t h LEU 54 Ca 0.13 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.05 2v6t h LEU 54 Cb 0.20 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 2v6t h LEU 54 CO -0.29 0.29 0.18 0.22 0.09 0.00 0.00 178.44 178.93 2v6t h TYR 55 N 0.34 0.36 -0.39 1.13 3.20 -1.30 -2.40 116.97 117.92 2v6t h TYR 55 Ca 0.10 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.96 2v6t h TYR 55 Cb 0.02 -0.12 -0.02 0.00 1.54 0.00 0.00 36.73 38.15 2v6t h TYR 55 CO -0.04 0.25 0.21 0.00 -1.64 0.00 0.00 178.16 176.94 2v6t h ALA 56 N 1.08 0.50 0.00 1.82 0.00 -0.45 -0.32 119.26 121.89 2v6t h ALA 56 Ca 0.10 -0.08 -0.08 0.00 0.00 0.00 0.00 54.91 54.85 2v6t h ALA 56 Cb -0.01 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 2v6t h ALA 56 CO -0.02 0.03 -0.37 0.22 0.00 0.00 0.00 179.25 179.11 2v6t h ASP 57 N 0.49 0.00 0.46 0.00 3.58 -1.39 -0.48 116.42 119.08 2v6t h ASP 57 Ca 0.14 0.00 -0.02 0.00 0.42 0.00 0.00 57.03 57.56 2v6t h ASP 57 Cb 0.07 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.12 2v6t h ASP 57 CO -0.02 0.37 -0.22 0.50 -2.88 0.00 0.00 179.24 176.99 2v6t h LYS 58 N 0.00 -0.59 -0.46 0.28 3.64 -0.62 -3.12 116.57 115.69 2v6t h LYS 58 Ca -0.00 0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.42 2v6t h LYS 58 Cb 0.74 0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.70 2v6t h LYS 58 CO 0.05 -0.35 0.00 1.33 -2.27 0.00 0.00 179.45 178.21 2v6t n VAL 59 N -5.32 0.61 -2.58 2.00 0.24 -0.27 -4.90 118.33 108.11 2v6t n VAL 59 Ca -0.11 -0.62 -0.13 0.00 -2.04 0.00 0.00 64.34 61.44 2v6t n VAL 59 Cb 0.28 0.32 -0.00 0.00 -1.47 0.00 0.00 33.84 32.97 2v6t n VAL 59 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 2v6t n ASP 60 N 0.86 -3.73 -3.82 -1.34 2.03 -0.25 -4.95 116.55 105.35 2v6t n ASP 60 Ca 0.16 0.13 -0.23 0.00 0.52 0.00 0.00 54.79 55.36 2v6t n ASP 60 Cb 0.40 -3.17 -0.17 0.00 -0.72 0.00 0.00 41.12 37.46 2v6t n ASP 60 CO 0.00 0.00 0.00 -2.28 -1.92 0.00 0.00 177.20 173.00 2v6t s HIS 61 N -2.63 0.80 0.07 -0.67 2.46 -0.84 -5.00 115.29 109.49 2v6t s HIS 61 Ca 0.06 -0.26 0.08 0.00 0.47 0.00 0.00 55.06 55.41 2v6t s HIS 61 Cb -0.03 -0.83 -0.04 0.00 -0.13 0.00 0.00 32.58 31.55 2v6t s HIS 61 CO 0.08 -0.33 -0.19 -1.01 -2.47 0.00 0.00 174.74 170.82 2v6t s HIS 62 N 1.70 2.52 0.70 3.88 3.76 -1.26 -4.56 115.29 122.03 2v6t s HIS 62 Ca 0.01 -0.27 -0.09 0.00 -0.15 0.00 0.00 55.06 54.56 2v6t s HIS 62 Cb -0.13 -1.41 0.04 0.00 1.11 0.00 0.00 32.58 32.20 2v6t s HIS 62 CO -0.04 0.30 1.04 -1.25 -0.85 0.00 0.00 174.74 173.93 2v6t s PRO 63 N -1.70 2.47 -0.37 8.40 0.05 -1.26 -4.87 135.00 137.72 2v6t s PRO 63 Ca 0.16 0.05 -0.04 0.00 0.05 0.00 0.00 61.00 61.22 2v6t s PRO 63 Cb -0.10 -2.11 0.08 0.00 0.05 0.00 0.00 34.50 32.42 2v6t s PRO 63 CO 0.07 -1.15 0.15 -0.80 0.05 0.00 0.00 177.00 175.32 2v6t s ASN 64 N -4.44 5.23 0.14 6.66 0.01 -1.16 -5.04 114.94 116.33 2v6t s ASN 64 Ca 0.59 -1.65 0.05 0.00 -0.71 0.00 0.00 52.86 51.13 2v6t s ASN 64 Cb -0.11 -1.83 -0.04 0.00 0.41 0.00 0.00 41.25 39.68 2v6t s ASN 64 CO 0.47 -0.45 -0.11 -1.66 -1.51 0.00 0.00 177.10 173.85 2v6t s TRP 65 N 1.24 1.30 -0.12 2.20 -2.14 -1.26 -0.97 118.94 119.18 2v6t s TRP 65 Ca 0.03 -0.68 -0.01 0.00 2.66 0.00 0.00 56.10 58.09 2v6t s TRP 65 Cb -0.22 -0.66 0.04 0.00 -3.10 0.00 0.00 33.47 29.53 2v6t s TRP 65 CO -0.02 0.11 -0.01 -0.47 -2.66 0.00 0.00 176.95 173.90 2v6t s TYR 66 N -2.88 1.02 -0.12 1.66 5.04 -0.78 -4.93 117.35 116.36 2v6t s TYR 66 Ca 0.13 -0.56 -0.01 0.00 -2.44 0.00 0.00 57.07 54.20 2v6t s TYR 66 Cb -0.00 -0.99 -0.02 0.00 0.35 0.00 0.00 41.96 41.29 2v6t s TYR 66 CO 0.02 -0.47 -0.10 1.21 -1.34 0.00 0.00 175.55 174.87 2v6t s ASN 67 N 1.86 4.32 -0.15 4.32 3.04 -1.26 -0.74 114.94 126.32 2v6t s ASN 67 Ca 0.03 -0.22 -0.01 0.00 0.04 0.00 0.00 52.86 52.69 2v6t s ASN 67 Cb -0.14 -1.55 0.04 0.00 -1.54 0.00 0.00 41.25 38.05 2v6t s ASN 67 CO -0.07 0.20 -0.04 -0.69 -3.04 0.00 0.00 177.10 173.47 2v6t s VAL 68 N 0.14 0.92 0.00 -5.21 1.01 -0.86 -5.04 120.40 111.37 2v6t s VAL 68 Ca -0.05 -0.45 0.00 0.00 0.00 0.00 0.00 61.98 61.48 2v6t s VAL 68 Cb -0.14 -1.11 0.00 0.00 0.00 0.00 0.00 36.38 35.13 2v6t s VAL 68 CO 0.04 0.15 0.00 0.00 0.00 0.00 0.00 175.10 175.29 2v6t n TYR 69 N 4.95 0.00 0.61 5.22 9.36 -1.26 -1.43 117.16 134.60 2v6t n TYR 69 Ca -0.11 0.00 0.08 0.00 3.32 0.00 0.00 57.90 61.19 2v6t n TYR 69 Cb 0.48 0.00 0.08 0.00 -0.63 0.00 0.00 39.34 39.27 2v6t n TYR 69 CO 0.00 0.00 0.00 0.27 0.22 0.00 0.00 176.86 177.35 2v6t n ASN 70 N 9.33 2.45 -4.75 2.98 6.94 -1.26 -4.13 115.26 126.82 2v6t n ASN 70 Ca 0.00 -1.71 -0.36 0.00 -0.02 0.00 0.00 54.58 52.49 2v6t n ASN 70 Cb 0.00 -0.03 -0.08 0.00 -2.36 0.00 0.00 39.78 37.31 2v6t n ASN 70 CO 0.00 0.00 0.00 0.42 -1.03 0.00 0.00 177.26 176.65 2v6t s THR 71 N -1.35 4.86 -0.12 5.53 -4.23 -0.52 -1.08 115.64 118.73 2v6t s THR 71 Ca 0.20 -0.04 -0.00 0.00 -1.18 0.00 0.00 61.69 60.68 2v6t s THR 71 Cb 0.14 -3.09 0.02 0.00 1.34 0.00 0.00 72.50 70.91 2v6t s THR 71 CO 0.21 0.59 -0.09 -0.69 -0.54 0.00 0.00 174.62 174.10 2v6t s VAL 72 N -0.77 1.13 -0.33 2.29 1.01 -0.79 -2.02 120.40 120.90 2v6t s VAL 72 Ca 0.13 -0.36 -0.02 0.00 0.00 0.00 0.00 61.98 61.72 2v6t s VAL 72 Cb -0.12 -1.12 0.07 0.00 0.00 0.00 0.00 36.38 35.21 2v6t s VAL 72 CO 0.03 0.38 0.07 -0.62 0.00 0.00 0.00 175.10 174.96 2v6t s ASP 73 N 1.62 5.03 0.09 3.32 -1.08 0.08 -0.64 116.67 125.09 2v6t s ASP 73 Ca 0.04 -1.49 0.03 0.00 -0.52 0.00 0.00 52.55 50.61 2v6t s ASP 73 Cb -0.13 -1.76 -0.04 0.00 -1.46 0.00 0.00 42.92 39.54 2v6t s ASP 73 CO -0.08 -0.35 0.13 -0.69 0.52 0.00 0.00 175.17 174.71 2v6t s VAL 74 N 1.23 4.79 -0.06 1.11 1.01 -0.17 -1.86 120.40 126.45 2v6t s VAL 74 Ca -0.01 -0.72 -0.02 0.00 0.00 0.00 0.00 61.98 61.23 2v6t s VAL 74 Cb -0.20 -3.35 0.04 0.00 0.00 0.00 0.00 36.38 32.86 2v6t s VAL 74 CO -0.02 0.08 0.11 -0.70 0.00 0.00 0.00 175.10 174.57 2v6t s GLU 75 N -2.60 -0.01 -0.02 2.72 2.12 -0.15 -1.60 118.70 119.17 2v6t s GLU 75 Ca 0.31 0.43 0.05 0.00 0.36 0.00 0.00 54.97 56.12 2v6t s GLU 75 Cb -0.12 -0.34 -0.03 0.00 0.26 0.00 0.00 34.13 33.90 2v6t s GLU 75 CO 0.24 -0.28 -0.16 -0.51 -0.54 0.00 0.00 175.26 174.01 2v6t s LEU 76 N 1.94 2.66 -0.29 2.70 1.43 -0.54 -2.96 118.68 123.63 2v6t s LEU 76 Ca 0.01 -0.27 -0.26 0.00 -1.03 0.00 0.00 54.13 52.57 2v6t s LEU 76 Cb -0.12 -1.54 0.18 0.00 0.03 0.00 0.00 46.19 44.74 2v6t s LEU 76 CO -0.04 0.32 1.37 -0.94 0.23 0.00 0.00 176.35 177.28 2v6t s SER 77 N -0.93 -0.11 -0.29 2.29 1.04 -1.26 -1.80 113.70 112.64 2v6t s SER 77 Ca 0.12 0.19 -0.29 0.00 0.48 0.00 0.00 55.95 56.46 2v6t s SER 77 Cb -0.11 0.19 -0.02 0.00 0.10 0.00 0.00 66.02 66.18 2v6t s SER 77 CO 0.02 -0.05 1.66 -0.89 0.98 0.00 0.00 173.24 174.96 2v6t s THR 78 N -0.18 3.64 0.09 2.02 2.01 -0.72 -4.88 115.64 117.62 2v6t s THR 78 Ca 0.07 0.68 -0.22 0.00 0.31 0.00 0.00 61.69 62.53 2v6t s THR 78 Cb -0.04 -3.76 -0.13 0.00 0.01 0.00 0.00 72.50 68.58 2v6t s THR 78 CO -0.13 -0.41 1.71 -0.74 -0.69 0.00 0.00 174.62 174.36 2v6t h HIS 79 N 11.59 0.09 0.00 4.92 2.76 -1.98 -2.09 115.15 130.44 2v6t h HIS 79 Ca -0.33 -0.00 0.00 0.00 -2.20 0.00 0.00 60.37 57.84 2v6t h HIS 79 Cb 1.15 -0.03 0.00 0.00 1.55 0.00 0.00 27.41 30.08 2v6t h HIS 79 CO 0.94 0.10 0.00 -0.25 -1.30 0.00 0.00 177.93 177.42 2v6t n ASP 80 N -5.02 0.00 -0.19 3.26 8.00 -1.26 -0.91 116.55 120.43 2v6t n ASP 80 Ca -0.06 0.37 0.08 0.00 0.71 0.00 0.00 54.79 55.89 2v6t n ASP 80 Cb 0.05 -0.42 -0.05 0.00 -0.02 0.00 0.00 41.12 40.68 2v6t n ASP 80 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2v6t n ALA 81 N -1.42 3.69 -3.97 2.24 0.00 -0.89 -5.02 120.51 115.13 2v6t n ALA 81 Ca 0.03 -0.50 -0.27 0.00 0.00 0.00 0.00 53.44 52.70 2v6t n ALA 81 Cb 0.10 -0.59 -0.06 0.00 0.00 0.00 0.00 19.45 18.90 2v6t n ALA 81 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2v6t n ALA 82 N -0.77 -1.89 0.00 0.00 0.00 -0.09 -4.70 120.51 113.06 2v6t n ALA 82 Ca 0.05 -0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.13 2v6t n ALA 82 Cb 0.30 -0.88 0.00 0.00 0.00 0.00 0.00 19.45 18.87 2v6t n ALA 82 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2v6t n GLY 83 N -2.20 -0.82 3.85 0.00 0.00 -1.19 -5.04 105.19 99.79 2v6t n GLY 83 Ca -0.23 -0.94 -0.32 0.00 0.00 0.00 0.00 46.02 44.53 2v6t n GLY 83 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2v6t s LEU 84 N 0.00 4.01 0.00 0.99 1.43 -1.19 -1.76 118.68 122.16 2v6t s LEU 84 Ca 0.00 1.31 0.04 0.00 -1.03 0.00 0.00 54.13 54.45 2v6t s LEU 84 Cb 0.00 -4.13 -0.01 0.00 0.03 0.00 0.00 46.19 42.07 2v6t s LEU 84 CO 0.00 -0.26 0.26 0.35 0.23 0.00 0.00 176.35 176.94 2v6t n THR 85 N -0.54 0.00 -0.09 5.49 -2.24 -1.26 -2.10 114.28 113.53 2v6t n THR 85 Ca 0.04 -1.72 -0.07 0.00 -2.27 0.00 0.00 64.05 60.03 2v6t n THR 85 Cb 0.53 0.91 -0.01 0.00 -2.10 0.00 0.00 70.33 69.66 2v6t n THR 85 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 2v6t h GLU 86 N 0.00 -0.22 -0.90 -0.78 4.39 -1.92 -2.68 114.58 112.47 2v6t h GLU 86 Ca -0.19 0.01 0.24 0.00 0.34 0.00 0.00 59.36 59.77 2v6t h GLU 86 Cb 0.92 0.05 -0.16 0.00 -0.10 0.00 0.00 28.75 29.46 2v6t h GLU 86 CO 0.27 -0.15 0.09 0.87 -1.16 0.00 0.00 179.01 178.94 2v6t h LYS 87 N -0.23 0.09 -0.65 2.33 1.57 -1.99 0.13 116.57 117.82 2v6t h LYS 87 Ca 0.17 -0.01 0.12 0.00 -1.87 0.00 0.00 60.65 59.06 2v6t h LYS 87 Cb 0.49 -0.02 -0.04 0.00 0.08 0.00 0.00 32.23 32.74 2v6t h LYS 87 CO -0.48 0.06 0.44 -0.44 -0.57 0.00 0.00 179.45 178.46 2v6t h ASP 88 N 0.09 0.36 0.47 0.86 3.32 -1.89 -1.80 116.42 117.84 2v6t h ASP 88 Ca 0.54 0.01 -0.30 0.00 0.02 0.00 0.00 57.03 57.31 2v6t h ASP 88 Cb 1.09 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 40.57 2v6t h ASP 88 CO -0.78 0.20 -1.54 -0.26 -1.72 0.00 0.00 179.24 175.14 2v6t h PHE 89 N 0.39 0.37 -0.60 4.55 -1.00 -0.86 -2.27 116.94 117.51 2v6t h PHE 89 Ca 0.31 -0.27 0.12 0.00 2.81 0.00 0.00 57.97 60.95 2v6t h PHE 89 Cb 0.68 -0.01 -0.10 0.00 3.61 0.00 0.00 35.95 40.12 2v6t h PHE 89 CO -0.00 1.33 -0.03 0.00 -1.61 0.00 0.00 178.31 178.00 2v6t h ALA 90 N 0.56 0.55 0.68 2.45 0.00 -0.97 0.66 119.26 123.18 2v6t h ALA 90 Ca -0.24 0.20 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 2v6t h ALA 90 Cb 2.00 0.35 0.00 0.00 0.00 0.00 0.00 17.79 20.14 2v6t h ALA 90 CO 0.14 -0.40 -0.36 1.25 0.00 0.00 0.00 179.25 179.88 2v6t h LEU 91 N 0.09 -0.88 -0.90 0.00 5.85 -1.40 -1.65 115.31 116.42 2v6t h LEU 91 Ca 0.31 0.04 0.24 0.00 0.84 0.00 0.00 57.88 59.31 2v6t h LEU 91 Cb 0.50 0.24 -0.16 0.00 0.37 0.00 0.00 40.66 41.61 2v6t h LEU 91 CO -0.54 -0.59 0.09 0.00 -0.34 0.00 0.00 178.44 177.06 2v6t h ALA 92 N -1.47 1.12 0.49 1.25 0.00 -1.25 0.24 119.26 119.65 2v6t h ALA 92 Ca -0.09 0.28 -0.02 0.00 0.00 0.00 0.00 54.91 55.08 2v6t h ALA 92 Cb 0.74 0.47 0.00 0.00 0.00 0.00 0.00 17.79 19.01 2v6t h ALA 92 CO 0.13 -0.51 -0.24 -0.22 0.00 0.00 0.00 179.25 178.41 2v6t h LYS 93 N 0.09 -0.64 0.00 0.00 3.64 -0.68 -0.65 116.57 118.33 2v6t h LYS 93 Ca 0.54 0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.97 2v6t h LYS 93 Cb 1.09 0.15 0.00 0.00 -0.41 0.00 0.00 32.23 33.05 2v6t h LYS 93 CO -0.78 -0.35 0.00 0.34 -2.27 0.00 0.00 179.45 176.39 2v6t n PHE 94 N -5.24 0.00 -0.20 1.91 -0.00 -0.64 -0.12 117.46 113.18 2v6t n PHE 94 Ca -0.10 0.00 0.06 0.00 -0.00 0.00 0.00 57.45 57.41 2v6t n PHE 94 Cb 0.30 -0.02 0.12 0.00 -0.00 0.00 0.00 39.48 39.88 2v6t n PHE 94 CO 0.00 0.00 0.00 -1.33 -0.00 0.00 0.00 176.76 175.43 2v6t n MET 95 N -0.92 -0.05 0.05 -4.13 2.81 0.77 0.44 117.12 116.10 2v6t n MET 95 Ca 0.00 0.85 0.04 0.00 -1.81 0.00 0.00 57.70 56.79 2v6t n MET 95 Cb 0.00 -1.32 0.45 0.00 -0.71 0.00 0.00 33.22 31.65 2v6t n MET 95 CO 0.00 0.00 0.00 -0.44 1.51 0.00 0.00 175.97 177.04 2v6t h ASP 96 N 0.00 0.38 0.16 7.83 3.32 0.11 -0.67 116.42 127.54 2v6t h ASP 96 Ca 0.30 -0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.33 2v6t h ASP 96 Cb 0.55 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 40.01 2v6t h ASP 96 CO -0.55 0.30 -0.08 0.44 -1.72 0.00 0.00 179.24 177.63 2v6t h ASP 97 N 0.44 -0.18 -0.79 6.45 3.32 1.04 -1.61 116.42 125.09 2v6t h ASP 97 Ca 0.12 -0.32 0.26 0.00 0.02 0.00 0.00 57.03 57.11 2v6t h ASP 97 Cb -0.00 0.05 -0.15 0.00 0.22 0.00 0.00 39.33 39.45 2v6t h ASP 97 CO -0.02 0.39 0.17 0.00 -1.72 0.00 0.00 179.24 178.06 2v6t n ALA 98 N -2.62 0.56 0.12 3.45 0.00 -0.90 -0.96 120.51 120.16 2v6t n ALA 98 Ca -0.07 0.83 0.02 0.00 0.00 0.00 0.00 53.44 54.23 2v6t n ALA 98 Cb 0.24 -0.69 0.01 0.00 0.00 0.00 0.00 19.45 19.01 2v6t n ALA 98 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2v6t h ALA 99 N 1.58 0.67 -0.55 0.00 0.00 -0.83 -3.25 119.26 116.87 2v6t h ALA 99 Ca 0.55 -0.51 0.07 0.00 0.00 0.00 0.00 54.91 55.02 2v6t h ALA 99 Cb 1.29 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 19.00 2v6t h ALA 99 CO -0.69 0.66 0.24 0.87 0.00 0.00 0.00 179.25 180.33 2v6t h LYS 100 N 0.00 0.44 0.00 0.00 1.57 -0.05 -1.91 116.57 116.62 2v6t h LYS 100 Ca -0.03 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 2v6t h LYS 100 Cb 1.41 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 33.62 2v6t h LYS 100 CO 0.06 0.29 0.44 -0.91 -0.57 0.00 0.00 179.45 178.76 2v6t h ASN 101 N 0.46 0.00 0.31 0.86 2.35 -1.59 0.26 115.58 118.23 2v6t h ASN 101 Ca 0.26 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.01 2v6t h ASN 101 Cb 0.24 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.61 2v6t h ASN 101 CO -0.23 0.00 -0.63 0.49 -1.65 0.00 0.00 177.43 175.42 2v6t n PHE 102 N -2.59 0.00 1.87 1.19 3.01 -0.72 -5.20 117.46 115.02 2v6t n PHE 102 Ca -0.01 0.00 0.15 0.00 1.01 0.00 0.00 57.45 58.60 2v6t n PHE 102 Cb 0.47 -0.15 0.84 0.00 -0.01 0.00 0.00 39.48 40.62 2v6t n PHE 102 CO 0.00 0.00 0.00 0.39 1.01 0.00 0.00 176.76 178.16