#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1o6x s ARG 2 N 0.00 3.13 0.45 0.03 1.70 -1.26 -5.12 118.95 117.88 1o6x s ARG 2 Ca 0.00 -0.99 0.07 0.00 -0.47 0.00 0.00 55.73 54.34 1o6x s ARG 2 Cb 0.00 -2.76 0.02 0.00 -0.57 0.00 0.00 34.95 31.64 1o6x s ARG 2 CO 0.00 0.20 0.62 -1.12 -1.08 0.00 0.00 175.30 173.93 1o6x s SER 3 N -4.06 5.55 0.45 -2.89 0.01 -1.26 -5.12 113.70 106.38 1o6x s SER 3 Ca 0.40 -0.37 0.08 0.00 1.31 0.00 0.00 55.95 57.38 1o6x s SER 3 Cb -0.09 -0.65 0.02 0.00 0.21 0.00 0.00 66.02 65.52 1o6x s SER 3 CO 0.29 -0.87 0.58 -1.48 0.41 0.00 0.00 173.24 172.18 1o6x s LEU 4 N -4.45 3.49 0.24 2.44 2.34 -1.26 -5.12 118.68 116.35 1o6x s LEU 4 Ca 0.56 -0.57 0.05 0.00 0.06 0.00 0.00 54.13 54.23 1o6x s LEU 4 Cb -0.10 -2.33 -0.03 0.00 -0.56 0.00 0.00 46.19 43.17 1o6x s LEU 4 CO 0.34 -0.87 0.31 -0.70 -1.06 0.00 0.00 176.35 174.37 1o6x s GLU 5 N -4.38 3.30 0.00 1.48 2.12 -1.26 -5.13 118.70 114.83 1o6x s GLU 5 Ca 0.55 -0.83 0.00 0.00 0.36 0.00 0.00 54.97 55.05 1o6x s GLU 5 Cb -0.08 -2.81 0.00 0.00 0.26 0.00 0.00 34.13 31.50 1o6x s GLU 5 CO 0.33 0.43 0.00 0.25 -0.54 0.00 0.00 175.26 175.73 1o6x n THR 6 N -1.29 0.00 -3.75 -1.70 -2.24 -1.26 -5.15 114.28 98.89 1o6x n THR 6 Ca -0.09 0.00 -0.02 0.00 -2.27 0.00 0.00 64.05 61.67 1o6x n THR 6 Cb 0.57 -0.94 -0.01 0.00 -2.10 0.00 0.00 70.33 67.85 1o6x n THR 6 CO 0.00 0.00 0.00 0.33 -0.57 0.00 0.00 175.07 174.83 1o6x n PHE 7 N -0.89 -0.46 -1.34 4.78 7.35 -1.26 -5.18 117.46 120.45 1o6x n PHE 7 Ca 0.00 -0.39 0.00 0.00 -0.76 0.00 0.00 57.45 56.30 1o6x n PHE 7 Cb 0.00 0.08 0.00 0.00 0.35 0.00 0.00 39.48 39.91 1o6x n PHE 7 CO 0.00 0.00 0.00 1.55 -0.76 0.00 0.00 176.76 177.55 1o6x n VAL 8 N -0.09 0.00 -3.82 -2.13 3.14 -1.26 -5.17 118.33 109.00 1o6x n VAL 8 Ca 0.00 0.00 -0.07 0.00 -2.96 0.00 0.00 64.34 61.31 1o6x n VAL 8 Cb 0.09 -0.03 0.03 0.00 -1.06 0.00 0.00 33.84 32.87 1o6x n VAL 8 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1o6x n GLY 9 N 5.00 0.87 2.51 7.55 0.00 -1.26 -5.13 105.19 114.73 1o6x n GLY 9 Ca 0.00 -1.22 -0.21 0.00 0.00 0.00 0.00 46.02 44.59 1o6x n GLY 9 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1o6x n ASP 10 N -1.46 -1.21 -3.59 1.61 9.92 -1.26 -3.21 116.55 117.35 1o6x n ASP 10 Ca -0.07 -1.08 -0.11 0.00 -0.53 0.00 0.00 54.79 53.00 1o6x n ASP 10 Cb 0.58 -0.70 -0.06 0.00 -0.64 0.00 0.00 41.12 40.30 1o6x n ASP 10 CO 0.00 0.00 0.00 -1.58 0.13 0.00 0.00 177.20 175.75 1o6x s GLN 11 N -4.82 0.64 0.41 -1.24 0.74 0.21 -4.63 119.66 110.97 1o6x s GLN 11 Ca 0.50 0.35 0.07 0.00 0.05 0.00 0.00 55.36 56.33 1o6x s GLN 11 Cb -0.04 0.30 0.01 0.00 1.10 0.00 0.00 33.01 34.38 1o6x s GLN 11 CO 0.38 -0.16 0.57 0.08 -0.55 0.00 0.00 175.29 175.61 1o6x s VAL 12 N -0.61 3.22 -0.15 1.34 1.01 -1.26 0.15 120.40 124.10 1o6x s VAL 12 Ca -0.01 -0.96 -0.15 0.00 0.00 0.00 0.00 61.98 60.86 1o6x s VAL 12 Cb -0.02 -3.10 0.04 0.00 0.00 0.00 0.00 36.38 33.30 1o6x s VAL 12 CO 0.00 -0.04 0.42 -1.48 0.00 0.00 0.00 175.10 174.00 1o6x s LEU 13 N -4.36 0.40 -0.27 3.92 0.05 -1.11 -3.45 118.68 113.87 1o6x s LEU 13 Ca 0.53 0.80 -0.13 0.00 0.05 0.00 0.00 54.13 55.38 1o6x s LEU 13 Cb -0.10 1.45 -0.04 0.00 -2.05 0.00 0.00 46.19 45.45 1o6x s LEU 13 CO 0.33 -0.17 0.26 -1.61 -0.55 0.00 0.00 176.35 174.61 1o6x s GLU 14 N 0.10 3.99 -0.06 1.48 2.02 0.16 -3.54 118.70 122.86 1o6x s GLU 14 Ca -0.01 -0.17 0.03 0.00 0.02 0.00 0.00 54.97 54.84 1o6x s GLU 14 Cb -0.03 -3.65 -0.03 0.00 0.10 0.00 0.00 34.13 30.53 1o6x s GLU 14 CO 0.01 -0.19 -0.12 0.42 0.02 0.00 0.00 175.26 175.40 1o6x s ILE 15 N 1.81 3.27 -0.43 -1.63 1.09 -0.47 0.14 121.20 124.97 1o6x s ILE 15 Ca 0.10 -0.64 0.03 0.00 -1.10 0.00 0.00 60.65 59.04 1o6x s ILE 15 Cb -0.16 -2.30 0.12 0.00 -1.06 0.00 0.00 42.46 39.06 1o6x s ILE 15 CO 0.10 0.59 0.19 -0.69 -0.10 0.00 0.00 174.94 175.03 1o6x s VAL 16 N -0.70 1.92 0.51 2.92 1.01 -0.40 -0.99 120.40 124.69 1o6x s VAL 16 Ca 0.11 -2.65 -0.09 0.00 0.00 0.00 0.00 61.98 59.35 1o6x s VAL 16 Cb -0.11 -2.37 0.12 0.00 0.00 0.00 0.00 36.38 34.03 1o6x s VAL 16 CO 0.01 -0.78 0.57 -0.81 0.00 0.00 0.00 175.10 174.09 1o6x n PRO 17 N 3.67 -1.30 0.00 2.72 -0.04 -1.26 -4.42 135.00 134.38 1o6x n PRO 17 Ca 0.05 -0.89 0.00 0.00 -0.04 0.00 0.00 63.50 62.62 1o6x n PRO 17 Cb 0.36 -0.70 0.00 0.00 -0.04 0.00 0.00 33.50 33.12 1o6x n PRO 17 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1o6x n SER 18 N -3.63 0.00 -4.63 3.54 2.88 -1.26 -4.05 113.62 106.47 1o6x n SER 18 Ca 0.07 0.00 -0.33 0.00 -1.33 0.00 0.00 58.87 57.29 1o6x n SER 18 Cb 0.27 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.63 1o6x n SER 18 CO 0.00 0.00 0.00 0.20 -1.23 0.00 0.00 175.04 174.01 1o6x s ASN 19 N -0.75 4.83 0.52 -3.46 0.01 -1.26 -4.83 114.94 110.01 1o6x s ASN 19 Ca 0.00 -0.07 0.25 0.00 -0.71 0.00 0.00 52.86 52.33 1o6x s ASN 19 Cb 0.00 -1.20 1.38 0.00 0.41 0.00 0.00 41.25 41.84 1o6x s ASN 19 CO 0.00 0.29 1.98 -0.33 -1.51 0.00 0.00 177.10 177.53 1o6x h GLU 20 N 4.53 0.03 -0.84 -0.60 3.07 -1.99 0.20 114.58 118.99 1o6x h GLU 20 Ca -0.49 -0.00 0.02 0.00 -0.50 0.00 0.00 59.36 58.39 1o6x h GLU 20 Cb 1.17 -0.01 -0.05 0.00 -0.84 0.00 0.00 28.75 29.03 1o6x h GLU 20 CO 0.55 0.02 0.55 1.49 -1.40 0.00 0.00 179.01 180.22 1o6x h GLU 21 N 0.04 1.05 -0.25 2.33 4.81 -1.96 1.86 114.58 122.45 1o6x h GLU 21 Ca 0.28 -0.06 -0.12 0.00 -0.13 0.00 0.00 59.36 59.33 1o6x h GLU 21 Cb 1.07 -0.24 -0.00 0.00 0.63 0.00 0.00 28.75 30.21 1o6x h GLU 21 CO -0.01 0.69 -0.32 1.96 -0.73 0.00 0.00 179.01 180.60 1o6x h GLN 22 N 1.08 0.66 -0.13 1.92 7.50 -0.93 -1.96 115.11 123.24 1o6x h GLN 22 Ca 0.32 -0.37 -0.18 0.00 0.50 0.00 0.00 58.65 58.92 1o6x h GLN 22 Cb -0.04 0.03 -0.00 0.00 0.05 0.00 0.00 27.48 27.52 1o6x h GLN 22 CO -0.09 0.98 -0.65 0.82 -1.50 0.00 0.00 178.83 178.40 1o6x h ILE 23 N 0.37 1.35 0.00 2.54 2.04 -1.05 -2.38 117.51 120.38 1o6x h ILE 23 Ca 0.03 -1.97 0.00 0.00 1.00 0.00 0.00 64.86 63.92 1o6x h ILE 23 Cb 0.90 1.96 0.00 0.00 -0.74 0.00 0.00 36.82 38.93 1o6x h ILE 23 CO 0.08 0.60 0.00 0.11 0.00 0.00 0.00 178.15 178.94 1o6x h LYS 24 N 0.35 0.00 0.00 2.37 1.57 0.29 -1.56 116.57 119.59 1o6x h LYS 24 Ca -0.02 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 58.70 1o6x h LYS 24 Cb 1.21 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.51 1o6x h LYS 24 CO 0.12 0.00 -0.39 -0.91 -0.57 0.00 0.00 179.45 177.70 1o6x h ASN 25 N 0.00 0.00 0.58 0.86 2.35 -0.87 -3.09 115.58 115.41 1o6x h ASN 25 Ca 0.00 -0.67 -0.02 0.00 -0.55 0.00 0.00 56.30 55.06 1o6x h ASN 25 Cb 0.32 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.68 1o6x h ASN 25 CO 0.00 1.06 -0.50 0.25 -1.65 0.00 0.00 177.43 176.59 1o6x h LEU 26 N -1.00 -1.34 -0.77 1.61 5.85 -1.20 0.13 115.31 118.58 1o6x h LEU 26 Ca -0.10 0.10 0.15 0.00 0.84 0.00 0.00 57.88 58.87 1o6x h LEU 26 Cb 0.93 0.43 -0.15 0.00 0.37 0.00 0.00 40.66 42.24 1o6x h LEU 26 CO -0.06 -0.69 -0.22 -0.07 -0.34 0.00 0.00 178.44 177.07 1o6x h LEU 27 N -1.06 -0.79 -1.13 2.25 3.38 -1.47 1.15 115.31 117.63 1o6x h LEU 27 Ca -0.07 0.24 0.07 0.00 0.09 0.00 0.00 57.88 58.20 1o6x h LEU 27 Cb 0.90 0.50 -0.06 0.00 0.09 0.00 0.00 40.66 42.09 1o6x h LEU 27 CO -0.02 -0.26 0.60 -0.61 0.09 0.00 0.00 178.44 178.23 1o6x h GLN 28 N -0.02 1.00 0.72 1.13 4.15 -1.33 -2.10 115.11 118.66 1o6x h GLN 28 Ca 0.36 -0.06 -0.04 0.00 0.77 0.00 0.00 58.65 59.69 1o6x h GLN 28 Cb 0.57 -0.23 0.01 0.00 0.21 0.00 0.00 27.48 28.04 1o6x h GLN 28 CO -0.80 0.66 -0.34 1.25 -1.93 0.00 0.00 178.83 177.67 1o6x h LEU 29 N 1.03 -0.81 -1.33 -2.39 5.85 0.39 -2.23 115.31 115.82 1o6x h LEU 29 Ca 0.40 0.03 0.25 0.00 0.84 0.00 0.00 57.88 59.39 1o6x h LEU 29 Cb 0.21 0.21 -0.03 0.00 0.37 0.00 0.00 40.66 41.42 1o6x h LEU 29 CO -0.15 -0.50 0.99 -0.08 -0.34 0.00 0.00 178.44 178.36 1o6x h GLU 30 N -1.12 0.00 -0.02 1.25 4.81 -0.27 1.42 114.58 120.64 1o6x h GLU 30 Ca -0.10 0.00 -0.07 0.00 -0.13 0.00 0.00 59.36 59.06 1o6x h GLU 30 Cb 0.74 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.12 1o6x h GLU 30 CO 0.16 0.00 -0.26 0.00 -0.73 0.00 0.00 179.01 178.19 1o6x h ALA 31 N 0.82 0.06 -0.36 2.92 0.00 -0.86 -3.41 119.26 118.43 1o6x h ALA 31 Ca 0.40 -0.44 -0.68 0.00 0.00 0.00 0.00 54.91 54.19 1o6x h ALA 31 Cb 2.38 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 20.16 1o6x h ALA 31 CO -0.00 0.10 0.87 1.04 0.00 0.00 0.00 179.25 181.25 1o6x n GLN 32 N -4.50 0.00 -0.65 0.00 1.13 0.49 -4.64 117.38 109.20 1o6x n GLN 32 Ca -0.09 0.00 -0.23 0.00 -1.94 0.00 0.00 57.00 54.74 1o6x n GLN 32 Cb 0.49 -1.24 -0.03 0.00 0.11 0.00 0.00 30.24 29.57 1o6x n GLN 32 CO 0.00 0.00 0.00 0.39 -1.44 0.00 0.00 177.06 176.01 1o6x n GLU 33 N 4.97 1.43 0.00 -1.09 1.02 -1.26 -1.72 120.64 124.00 1o6x n GLU 33 Ca 0.37 -1.31 0.00 0.00 -0.02 0.00 0.00 57.16 56.20 1o6x n GLU 33 Cb -0.04 -2.45 0.00 0.00 -0.02 0.00 0.00 31.44 28.93 1o6x n GLU 33 CO 0.00 0.00 0.00 -2.39 1.18 0.00 0.00 177.13 175.92 1o6x n HIS 34 N 5.24 0.00 -1.59 -0.32 1.44 -1.26 -4.96 115.22 113.77 1o6x n HIS 34 Ca 0.36 0.00 -0.37 0.00 -2.01 0.00 0.00 57.72 55.70 1o6x n HIS 34 Cb 0.17 0.00 0.06 0.00 0.12 0.00 0.00 29.99 30.34 1o6x n HIS 34 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 1o6x n LEU 35 N -0.68 7.62 -3.36 2.39 4.77 -0.70 -4.86 117.00 122.19 1o6x n LEU 35 Ca 0.00 -4.52 -0.30 0.00 -0.03 0.00 0.00 56.01 51.16 1o6x n LEU 35 Cb 0.00 -1.02 -0.04 0.00 -2.33 0.00 0.00 43.42 40.02 1o6x n LEU 35 CO 0.00 1.60 1.93 1.67 -1.33 0.00 0.00 177.39 181.25 1o6x n GLN 36 N -0.73 1.23 -1.22 3.23 0.00 -1.24 -4.29 117.38 114.36 1o6x n GLN 36 Ca 0.59 -1.38 -0.30 0.00 -0.00 0.00 0.00 57.00 55.91 1o6x n GLN 36 Cb 0.47 -2.56 0.14 0.00 0.00 0.00 0.00 30.24 28.29 1o6x n GLN 36 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.06 176.55 1o6x s LEU 37 N 0.46 2.27 -0.20 1.69 1.02 -1.26 -5.04 118.68 117.62 1o6x s LEU 37 Ca 0.44 1.48 0.02 0.00 0.02 0.00 0.00 54.13 56.08 1o6x s LEU 37 Cb 0.11 -3.91 0.04 0.00 0.02 0.00 0.00 46.19 42.45 1o6x s LEU 37 CO 0.08 -2.61 -0.15 -0.62 0.02 0.00 0.00 176.35 173.06 1o6x s ASP 38 N -3.44 3.54 -0.26 2.29 2.15 -1.26 -4.95 116.67 114.74 1o6x s ASP 38 Ca 0.63 -0.90 -0.19 0.00 0.43 0.00 0.00 52.55 52.52 1o6x s ASP 38 Cb -0.18 -1.45 -0.02 0.00 -0.30 0.00 0.00 42.92 40.97 1o6x s ASP 38 CO 0.57 -0.08 0.57 -0.36 -0.17 0.00 0.00 175.17 175.70 1o6x s PHE 39 N 1.26 3.27 0.13 -5.34 0.08 -1.26 -3.64 117.98 112.48 1o6x s PHE 39 Ca -0.00 0.71 -0.19 0.00 0.12 0.00 0.00 56.93 57.56 1o6x s PHE 39 Cb -0.16 -2.79 -0.02 0.00 -0.57 0.00 0.00 43.02 39.49 1o6x s PHE 39 CO -0.10 -0.32 1.72 -1.49 -0.10 0.00 0.00 175.22 174.94 1o6x h TRP 40 N 7.98 -0.00 -3.64 0.36 4.06 -1.84 -3.35 115.95 119.51 1o6x h TRP 40 Ca -0.28 0.02 -0.68 0.00 2.06 0.00 0.00 58.89 60.01 1o6x h TRP 40 Cb 1.13 0.03 -0.35 0.00 -1.00 0.00 0.00 29.16 28.97 1o6x h TRP 40 CO 0.76 -0.03 -0.65 -1.59 -3.56 0.00 0.00 178.44 173.37 1o6x s LYS 41 N -6.19 2.04 -0.57 0.49 -2.85 -1.26 -5.02 119.74 106.38 1o6x s LYS 41 Ca -0.13 -1.63 -0.39 0.00 -1.00 0.00 0.00 55.97 52.82 1o6x s LYS 41 Cb 0.10 -3.33 -0.19 0.00 -2.06 0.00 0.00 37.83 32.36 1o6x s LYS 41 CO 0.69 -0.87 2.14 -1.13 0.10 0.00 0.00 175.35 176.28 1o6x n SER 42 N 4.52 0.62 -2.58 0.03 3.41 -1.26 -4.69 113.62 113.66 1o6x n SER 42 Ca -0.05 0.55 -0.17 0.00 -0.26 0.00 0.00 58.87 58.93 1o6x n SER 42 Cb 0.42 -0.86 -0.08 0.00 -0.26 0.00 0.00 64.21 63.43 1o6x n SER 42 CO 0.00 0.00 0.00 -0.81 -0.16 0.00 0.00 175.04 174.07 1o6x n PRO 43 N 7.30 2.03 0.39 4.33 -0.04 -1.26 -4.51 135.00 143.24 1o6x n PRO 43 Ca 0.54 -1.17 -0.16 0.00 -0.04 0.00 0.00 63.50 62.67 1o6x n PRO 43 Cb -0.02 -2.17 -0.07 0.00 -0.04 0.00 0.00 33.50 31.19 1o6x n PRO 43 CO 0.00 0.00 0.00 1.15 -0.04 0.00 0.00 175.50 176.61 1o6x h THR 44 N 2.66 0.00 -1.98 0.52 2.02 -1.92 -3.46 112.91 110.76 1o6x h THR 44 Ca 0.36 -0.24 -0.54 0.00 0.77 0.00 0.00 66.41 66.75 1o6x h THR 44 Cb 0.75 0.00 -0.08 0.00 -1.74 0.00 0.00 68.15 67.09 1o6x h THR 44 CO 0.83 0.00 -0.56 0.42 0.37 0.00 0.00 175.52 176.59 1o6x s THR 45 N -4.87 3.27 1.07 3.16 -4.23 -1.26 -4.98 115.64 107.80 1o6x s THR 45 Ca -0.15 -1.70 -0.17 0.00 -1.18 0.00 0.00 61.69 58.49 1o6x s THR 45 Cb 0.01 -3.00 0.23 0.00 1.34 0.00 0.00 72.50 71.09 1o6x s THR 45 CO 0.45 -0.24 1.21 -2.16 -0.54 0.00 0.00 174.62 173.34 1o6x s PRO 46 N -3.81 -0.16 0.00 3.99 0.04 -1.26 -4.09 135.00 129.71 1o6x s PRO 46 Ca 0.36 -0.20 0.00 0.00 0.04 0.00 0.00 61.00 61.20 1o6x s PRO 46 Cb -0.04 -1.73 0.00 0.00 0.04 0.00 0.00 34.50 32.77 1o6x s PRO 46 CO 0.22 -2.98 0.00 0.41 0.04 0.00 0.00 177.00 174.69 1o6x n GLY 47 N -2.39 1.97 3.41 0.56 0.00 -1.26 -4.93 105.19 102.55 1o6x n GLY 47 Ca 0.14 -0.32 -0.44 0.00 0.00 0.00 0.00 46.02 45.39 1o6x n GLY 47 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1o6x s GLU 48 N 0.00 3.07 0.73 1.61 -1.05 -1.26 -4.98 118.70 116.82 1o6x s GLU 48 Ca 0.00 -1.15 -0.16 0.00 -0.15 0.00 0.00 54.97 53.52 1o6x s GLU 48 Cb 0.00 -4.17 0.02 0.00 -0.44 0.00 0.00 34.13 29.53 1o6x s GLU 48 CO 0.00 -1.32 1.03 0.25 0.95 0.00 0.00 175.26 176.17 1o6x n THR 49 N 5.52 2.82 -4.22 1.83 -2.24 -1.26 -4.78 114.28 111.94 1o6x n THR 49 Ca -0.09 -0.35 -0.25 0.00 -2.27 0.00 0.00 64.05 61.10 1o6x n THR 49 Cb 0.44 -1.14 -0.07 0.00 -2.10 0.00 0.00 70.33 67.45 1o6x n THR 49 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1o6x s ALA 50 N -1.84 3.24 -0.31 6.98 0.00 -0.16 -4.83 121.76 124.84 1o6x s ALA 50 Ca 0.74 -1.48 0.01 0.00 0.00 0.00 0.00 51.96 51.23 1o6x s ALA 50 Cb -0.34 -0.96 0.14 0.00 0.00 0.00 0.00 23.12 21.97 1o6x s ALA 50 CO 0.50 0.37 0.32 -1.01 0.00 0.00 0.00 175.76 175.94 1o6x s HIS 51 N -2.00 -0.42 -0.04 0.00 3.76 -1.25 -1.37 115.29 113.97 1o6x s HIS 51 Ca 0.30 -0.36 0.01 0.00 -0.15 0.00 0.00 55.06 54.85 1o6x s HIS 51 Cb -0.08 -0.44 -0.03 0.00 1.11 0.00 0.00 32.58 33.13 1o6x s HIS 51 CO 0.20 -0.94 -0.05 0.54 -0.85 0.00 0.00 174.74 173.64 1o6x s VAL 52 N 2.09 3.83 -1.08 -0.90 0.11 -1.23 -2.18 120.40 121.03 1o6x s VAL 52 Ca 0.12 -0.53 -0.18 0.00 -2.93 0.00 0.00 61.98 58.45 1o6x s VAL 52 Cb -0.14 -2.61 0.12 0.00 -1.53 0.00 0.00 36.38 32.21 1o6x s VAL 52 CO -0.24 0.52 1.37 -0.60 -3.33 0.00 0.00 175.10 172.82 1o6x s ARG 53 N -1.06 3.81 0.23 1.54 3.52 -1.24 -2.73 118.95 123.01 1o6x s ARG 53 Ca 0.14 -1.94 -0.16 0.00 -0.13 0.00 0.00 55.73 53.64 1o6x s ARG 53 Cb -0.11 -5.13 -0.08 0.00 -1.56 0.00 0.00 34.95 28.07 1o6x s ARG 53 CO 0.04 -1.91 0.65 0.54 -0.81 0.00 0.00 175.30 173.81 1o6x s VAL 54 N 2.95 4.72 0.19 7.11 0.11 0.39 -4.67 120.40 131.20 1o6x s VAL 54 Ca 0.41 0.97 -0.30 0.00 -2.93 0.00 0.00 61.98 60.13 1o6x s VAL 54 Cb -0.02 -3.73 -0.08 0.00 -1.53 0.00 0.00 36.38 31.02 1o6x s VAL 54 CO -0.04 0.09 1.11 -2.16 -3.33 0.00 0.00 175.10 170.77 1o6x s PRO 55 N -2.32 4.58 0.34 1.54 0.04 -1.26 0.64 135.00 138.56 1o6x s PRO 55 Ca 0.45 1.75 0.11 0.00 0.04 0.00 0.00 61.00 63.35 1o6x s PRO 55 Cb -0.14 -3.26 0.90 0.00 0.04 0.00 0.00 34.50 32.04 1o6x s PRO 55 CO 0.20 0.06 1.76 0.35 0.04 0.00 0.00 177.00 179.41 1o6x h PHE 56 N 5.02 0.92 0.00 0.56 3.57 -1.81 2.13 116.94 127.33 1o6x h PHE 56 Ca -0.45 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.09 1o6x h PHE 56 Cb 1.21 -0.27 0.00 0.00 2.79 0.00 0.00 35.95 39.68 1o6x h PHE 56 CO 0.62 0.13 0.00 -0.24 -2.23 0.00 0.00 178.31 176.59 1o6x h VAL 57 N 0.59 0.00 0.00 1.41 3.04 -1.91 -1.47 116.25 117.90 1o6x h VAL 57 Ca 0.60 -0.29 0.00 0.00 -1.01 0.00 0.00 66.70 66.00 1o6x h VAL 57 Cb 1.18 1.17 0.00 0.00 -2.01 0.00 0.00 31.29 31.62 1o6x h VAL 57 CO -0.38 0.00 -0.01 -3.20 -1.01 0.00 0.00 177.57 172.98 1o6x n ASN 58 N -2.79 2.02 0.11 3.17 2.85 0.59 -4.60 115.26 116.60 1o6x n ASN 58 Ca 0.00 -2.27 -0.03 0.00 -0.11 0.00 0.00 54.58 52.17 1o6x n ASN 58 Cb 0.21 -0.12 0.05 0.00 1.24 0.00 0.00 39.78 41.17 1o6x n ASN 58 CO 0.00 0.00 0.00 0.58 -2.11 0.00 0.00 177.26 175.73 1o6x h VAL 59 N 0.17 1.52 0.35 3.44 2.07 0.35 -3.02 116.25 121.13 1o6x h VAL 59 Ca 0.00 -2.63 -0.02 0.00 0.82 0.00 0.00 66.70 64.87 1o6x h VAL 59 Cb 0.66 2.43 0.00 0.00 -1.52 0.00 0.00 31.29 32.87 1o6x h VAL 59 CO 0.00 0.75 -0.17 -0.61 0.02 0.00 0.00 177.57 177.56 1o6x h GLN 60 N 0.00 -0.46 -0.98 1.57 4.15 -1.82 0.30 115.11 117.87 1o6x h GLN 60 Ca -0.01 0.03 0.34 0.00 0.77 0.00 0.00 58.65 59.78 1o6x h GLN 60 Cb 1.37 0.10 -0.16 0.00 0.21 0.00 0.00 27.48 29.00 1o6x h GLN 60 CO 0.10 -0.30 0.44 0.00 -1.93 0.00 0.00 178.83 177.14 1o6x h ALA 61 N -1.41 1.83 -0.13 3.38 0.00 -1.86 1.27 119.26 122.34 1o6x h ALA 61 Ca -0.05 0.24 -0.11 0.00 0.00 0.00 0.00 54.91 55.00 1o6x h ALA 61 Cb 0.36 0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.45 1o6x h ALA 61 CO 0.08 -0.69 -0.33 0.28 0.00 0.00 0.00 179.25 178.59 1o6x h VAL 62 N 0.16 1.37 -0.63 0.00 2.07 -1.53 -1.29 116.25 116.40 1o6x h VAL 62 Ca 0.73 -1.61 0.08 0.00 0.82 0.00 0.00 66.70 66.72 1o6x h VAL 62 Cb 1.73 2.05 -0.04 0.00 -1.52 0.00 0.00 31.29 33.52 1o6x h VAL 62 CO -0.71 0.48 0.42 0.11 0.02 0.00 0.00 177.57 177.89 1o6x h LYS 63 N 0.06 0.51 -0.08 1.57 1.79 0.51 0.10 116.57 121.04 1o6x h LYS 63 Ca -0.00 -0.03 -0.21 0.00 -2.18 0.00 0.00 60.65 58.23 1o6x h LYS 63 Cb 0.94 -0.12 0.00 0.00 -1.58 0.00 0.00 32.23 31.47 1o6x h LYS 63 CO 0.07 0.34 -0.81 0.28 -1.08 0.00 0.00 179.45 178.25 1o6x h VAL 64 N 0.53 1.35 0.42 0.50 2.07 0.71 -2.81 116.25 119.02 1o6x h VAL 64 Ca 0.28 -2.16 -0.02 0.00 0.82 0.00 0.00 66.70 65.62 1o6x h VAL 64 Cb 0.43 2.16 0.00 0.00 -1.52 0.00 0.00 31.29 32.35 1o6x h VAL 64 CO -0.09 0.66 -0.20 0.15 0.02 0.00 0.00 177.57 178.11 1o6x h PHE 65 N 0.35 -0.52 0.27 1.57 3.57 0.34 0.14 116.94 122.65 1o6x h PHE 65 Ca -0.05 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.44 1o6x h PHE 65 Cb 1.41 0.17 -0.04 0.00 2.79 0.00 0.00 35.95 40.29 1o6x h PHE 65 CO 0.06 -0.32 -0.48 -0.07 -2.23 0.00 0.00 178.31 175.27 1o6x h LEU 66 N -0.57 -1.38 -0.93 0.59 3.38 -1.16 -0.00 115.31 115.23 1o6x h LEU 66 Ca -0.06 0.13 0.20 0.00 0.09 0.00 0.00 57.88 58.25 1o6x h LEU 66 Cb 0.43 0.49 -0.11 0.00 0.09 0.00 0.00 40.66 41.56 1o6x h LEU 66 CO 0.09 -0.57 0.50 -0.08 0.09 0.00 0.00 178.44 178.47 1o6x h GLU 67 N -0.81 0.57 -0.97 1.13 4.22 -1.44 0.40 114.58 117.67 1o6x h GLU 67 Ca -0.02 -0.03 0.04 0.00 0.08 0.00 0.00 59.36 59.42 1o6x h GLU 67 Cb 0.77 -0.13 -0.06 0.00 0.50 0.00 0.00 28.75 29.84 1o6x h GLU 67 CO -0.18 0.38 0.63 1.03 -2.18 0.00 0.00 179.01 178.69 1o6x h SER 68 N 0.59 1.06 -0.35 1.04 0.87 0.56 0.66 113.55 117.98 1o6x h SER 68 Ca 0.56 -0.01 -0.11 0.00 -1.23 0.00 0.00 61.79 61.00 1o6x h SER 68 Cb 0.95 -0.24 -0.06 0.00 -0.44 0.00 0.00 62.40 62.60 1o6x h SER 68 CO -0.44 0.72 0.14 0.00 -0.53 0.00 0.00 176.83 176.72 1o6x n GLN 69 N -4.47 2.25 -3.85 2.24 10.64 0.13 -4.87 117.38 119.46 1o6x n GLN 69 Ca 0.13 -1.42 -0.28 0.00 -1.83 0.00 0.00 57.00 53.60 1o6x n GLN 69 Cb 0.10 -1.72 -0.07 0.00 -0.86 0.00 0.00 30.24 27.69 1o6x n GLN 69 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 1o6x n GLY 70 N 0.04 -0.19 4.01 2.61 0.00 0.22 -4.84 105.19 107.04 1o6x n GLY 70 Ca 0.19 0.10 -0.20 0.00 0.00 0.00 0.00 46.02 46.11 1o6x n GLY 70 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1o6x s ILE 71 N -3.40 2.48 -0.17 -0.61 2.07 -0.80 -5.02 121.20 115.75 1o6x s ILE 71 Ca 0.31 -0.83 0.01 0.00 -1.41 0.00 0.00 60.65 58.72 1o6x s ILE 71 Cb -0.18 -2.65 0.03 0.00 0.13 0.00 0.00 42.46 39.79 1o6x s ILE 71 CO 0.77 0.00 -0.16 0.00 -1.91 0.00 0.00 174.94 173.64 1o6x s ALA 72 N -2.71 2.12 0.03 1.50 0.00 -1.26 -4.64 121.76 116.79 1o6x s ALA 72 Ca 0.60 -1.13 0.00 0.00 0.00 0.00 0.00 51.96 51.44 1o6x s ALA 72 Cb -0.08 -1.17 -0.00 0.00 0.00 0.00 0.00 23.12 21.88 1o6x s ALA 72 CO 0.38 -0.46 0.01 2.48 0.00 0.00 0.00 175.76 178.17 1o6x n TYR 73 N 4.68 0.03 -3.52 0.00 4.11 -1.26 -1.27 117.16 119.93 1o6x n TYR 73 Ca -0.18 -0.18 -0.17 0.00 -0.00 0.00 0.00 57.90 57.37 1o6x n TYR 73 Cb 0.49 -0.01 -0.06 0.00 -0.00 0.00 0.00 39.34 39.77 1o6x n TYR 73 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.86 177.31 1o6x s SER 74 N -1.18 -0.64 -0.37 9.48 0.15 0.38 -4.92 113.70 116.61 1o6x s SER 74 Ca 0.01 0.62 -0.13 0.00 0.70 0.00 0.00 55.95 57.16 1o6x s SER 74 Cb 0.00 0.54 0.01 0.00 -1.71 0.00 0.00 66.02 64.86 1o6x s SER 74 CO 0.01 -0.65 0.24 -0.63 1.20 0.00 0.00 173.24 173.41 1o6x s ILE 75 N -1.48 4.98 0.00 6.45 1.01 -1.26 0.40 121.20 131.30 1o6x s ILE 75 Ca -0.10 -0.56 0.00 0.00 0.00 0.00 0.00 60.65 60.00 1o6x s ILE 75 Cb -0.00 -3.68 0.00 0.00 0.01 0.00 0.00 42.46 38.79 1o6x s ILE 75 CO 0.07 -0.15 0.00 0.80 0.00 0.00 0.00 174.94 175.66 1o6x n MET 76 N 5.07 0.00 -2.06 2.79 0.00 -1.22 -4.96 117.12 116.74 1o6x n MET 76 Ca -0.12 0.00 -0.28 0.00 -0.00 0.00 0.00 57.70 57.30 1o6x n MET 76 Cb 0.48 -0.03 0.14 0.00 0.00 0.00 0.00 33.22 33.81 1o6x n MET 76 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 175.97 176.93 1o6x s ILE 77 N 0.00 2.06 0.00 1.12 -4.36 -1.26 -5.03 121.20 113.72 1o6x s ILE 77 Ca 0.00 -0.12 0.00 0.00 -0.26 0.00 0.00 60.65 60.27 1o6x s ILE 77 Cb 0.00 -2.93 0.00 0.00 1.25 0.00 0.00 42.46 40.78 1o6x s ILE 77 CO 0.00 0.00 0.00 1.21 0.24 0.00 0.00 174.94 176.39 1o6x n GLU 78 N -3.43 0.00 -2.73 0.37 2.13 -1.26 -4.51 120.64 111.21 1o6x n GLU 78 Ca 0.13 0.00 -0.10 0.00 0.66 0.00 0.00 57.16 57.85 1o6x n GLU 78 Cb 0.60 0.00 0.04 0.00 0.27 0.00 0.00 31.44 32.35 1o6x n GLU 78 CO 0.00 0.00 0.00 -3.47 -0.41 0.00 0.00 177.13 173.25 1o6x n ASP 79 N 0.00 0.71 -4.52 4.31 2.03 -1.26 -4.91 116.55 112.90 1o6x n ASP 79 Ca 0.00 -2.73 -0.41 0.00 0.52 0.00 0.00 54.79 52.17 1o6x n ASP 79 Cb 0.00 -0.22 -0.09 0.00 -0.72 0.00 0.00 41.12 40.09 1o6x n ASP 79 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1o6x s VAL 80 N -2.40 5.18 -0.15 5.18 0.11 -1.26 -5.05 120.40 122.02 1o6x s VAL 80 Ca 0.28 -0.13 0.00 0.00 -2.93 0.00 0.00 61.98 59.20 1o6x s VAL 80 Cb 0.43 -3.85 0.00 0.00 -1.53 0.00 0.00 36.38 31.43 1o6x s VAL 80 CO 0.00 -0.15 0.04 0.00 -3.33 0.00 0.00 175.10 171.66