#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 3.07 0.23 0.03 6.06 -1.26 -5.08 118.95 122.00 1o6x s ARG 2 Ca 0.00 -0.45 -0.30 0.00 -2.50 0.00 0.00 55.73 52.48 1o6x s ARG 2 Cb 0.00 -2.78 -0.09 0.00 0.06 0.00 0.00 34.95 32.14 1o6x s ARG 2 CO 0.00 0.61 1.28 -1.54 -2.50 0.00 0.00 175.30 173.15 1o6x s SER 3 N -0.64 6.92 1.05 -2.12 1.04 -1.26 -5.00 113.70 113.70 1o6x s SER 3 Ca 0.10 2.44 -0.12 0.00 0.48 0.00 0.00 55.95 58.85 1o6x s SER 3 Cb -0.12 -2.62 0.22 0.00 0.10 0.00 0.00 66.02 63.60 1o6x s SER 3 CO 0.02 -0.48 1.07 -0.76 0.98 0.00 0.00 173.24 174.07 1o6x s LEU 4 N -0.60 1.48 -0.09 2.42 1.02 -1.26 -4.99 118.68 116.65 1o6x s LEU 4 Ca 0.54 1.50 -0.15 0.00 0.02 0.00 0.00 54.13 56.03 1o6x s LEU 4 Cb -0.36 -3.62 -0.05 0.00 0.02 0.00 0.00 46.19 42.18 1o6x s LEU 4 CO 0.41 -3.56 0.39 -0.70 0.02 0.00 0.00 176.35 172.92 1o6x s GLU 5 N -4.69 4.14 0.21 1.70 2.12 -1.26 -5.08 118.70 115.84 1o6x s GLU 5 Ca 0.67 0.33 0.05 0.00 0.36 0.00 0.00 54.97 56.37 1o6x s GLU 5 Cb -0.22 -3.35 -0.03 0.00 0.26 0.00 0.00 34.13 30.79 1o6x s GLU 5 CO 0.61 0.39 0.25 0.95 -0.54 0.00 0.00 175.26 176.92 1o6x s THR 6 N -0.08 4.90 0.12 -1.70 -4.23 -1.26 -5.11 115.64 108.28 1o6x s THR 6 Ca 0.22 -1.06 -0.11 0.00 -1.18 0.00 0.00 61.69 59.56 1o6x s THR 6 Cb -0.15 -3.60 0.04 0.00 1.34 0.00 0.00 72.50 70.13 1o6x s THR 6 CO 0.09 -0.24 0.54 0.49 -0.54 0.00 0.00 174.62 174.96 1o6x n PHE 7 N -0.95 -1.11 0.12 3.99 3.72 -1.26 -5.10 117.46 116.87 1o6x n PHE 7 Ca -0.08 -0.74 0.00 0.00 -0.05 0.00 0.00 57.45 56.58 1o6x n PHE 7 Cb 0.56 0.36 0.00 0.00 -0.94 0.00 0.00 39.48 39.46 1o6x n PHE 7 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 176.76 176.99 1o6x n VAL 8 N -0.38 0.18 0.00 -4.37 0.31 -1.26 -5.12 118.33 107.70 1o6x n VAL 8 Ca -0.02 0.06 0.00 0.00 -0.01 0.00 0.00 64.34 64.37 1o6x n VAL 8 Cb 0.32 -0.68 0.00 0.00 -0.91 0.00 0.00 33.84 32.57 1o6x n VAL 8 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1o6x n GLY 9 N 1.82 0.77 3.18 2.92 0.00 -1.26 -4.95 105.19 107.66 1o6x n GLY 9 Ca 0.00 -0.70 -0.26 0.00 0.00 0.00 0.00 46.02 45.06 1o6x n GLY 9 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1o6x n ASP 10 N 0.00 -3.46 -3.66 1.61 5.75 -1.26 -4.13 116.55 111.40 1o6x n ASP 10 Ca 0.00 -0.60 -0.15 0.00 -0.01 0.00 0.00 54.79 54.03 1o6x n ASP 10 Cb 0.00 -0.95 -0.08 0.00 -1.03 0.00 0.00 41.12 39.06 1o6x n ASP 10 CO 0.00 0.00 0.00 -1.58 -0.11 0.00 0.00 177.20 175.51 1o6x s GLN 11 N -4.38 0.75 0.39 0.11 0.74 0.31 -4.73 119.66 112.86 1o6x s GLN 11 Ca 0.56 0.46 0.07 0.00 0.05 0.00 0.00 55.36 56.50 1o6x s GLN 11 Cb -0.12 0.36 0.00 0.00 1.10 0.00 0.00 33.01 34.35 1o6x s GLN 11 CO 0.50 -0.16 0.54 0.08 -0.55 0.00 0.00 175.29 175.71 1o6x s VAL 12 N -0.38 3.41 -0.15 1.34 1.01 -1.26 0.16 120.40 124.52 1o6x s VAL 12 Ca -0.05 -0.97 -0.25 0.00 0.00 0.00 0.00 61.98 60.70 1o6x s VAL 12 Cb -0.03 -3.16 0.06 0.00 0.00 0.00 0.00 36.38 33.25 1o6x s VAL 12 CO 0.04 -0.07 0.64 -1.48 0.00 0.00 0.00 175.10 174.23 1o6x s LEU 13 N -4.31 -0.47 -0.19 3.92 0.05 -1.15 -3.55 118.68 112.99 1o6x s LEU 13 Ca 0.51 1.00 -0.12 0.00 0.05 0.00 0.00 54.13 55.57 1o6x s LEU 13 Cb -0.10 2.29 -0.05 0.00 -2.05 0.00 0.00 46.19 46.29 1o6x s LEU 13 CO 0.33 -0.39 0.24 -1.83 -0.55 0.00 0.00 176.35 174.14 1o6x s GLU 14 N -0.37 4.20 0.04 1.48 1.03 0.88 -3.50 118.70 122.46 1o6x s GLU 14 Ca -0.05 -0.04 0.08 0.00 0.03 0.00 0.00 54.97 54.98 1o6x s GLU 14 Cb -0.03 -3.46 -0.03 0.00 -0.80 0.00 0.00 34.13 29.81 1o6x s GLU 14 CO 0.05 0.19 -0.20 0.42 -1.33 0.00 0.00 175.26 174.38 1o6x s ILE 15 N 0.65 2.61 -0.45 1.83 1.01 -0.34 0.71 121.20 127.22 1o6x s ILE 15 Ca 0.13 -1.23 0.03 0.00 0.00 0.00 0.00 60.65 59.58 1o6x s ILE 15 Cb -0.13 -2.07 0.13 0.00 0.01 0.00 0.00 42.46 40.40 1o6x s ILE 15 CO 0.03 0.36 0.21 -0.69 0.00 0.00 0.00 174.94 174.85 1o6x s VAL 16 N -0.88 1.91 0.64 2.92 1.01 -0.49 -1.28 120.40 124.23 1o6x s VAL 16 Ca 0.14 -2.73 -0.11 0.00 0.00 0.00 0.00 61.98 59.27 1o6x s VAL 16 Cb -0.10 -2.35 0.15 0.00 0.00 0.00 0.00 36.38 34.09 1o6x s VAL 16 CO 0.04 -0.81 0.71 -0.81 0.00 0.00 0.00 175.10 174.23 1o6x n PRO 17 N 3.56 -1.49 0.00 2.72 -0.04 -1.26 -4.41 135.00 134.07 1o6x n PRO 17 Ca 0.06 -1.11 0.00 0.00 -0.04 0.00 0.00 63.50 62.40 1o6x n PRO 17 Cb 0.35 -0.88 0.00 0.00 -0.04 0.00 0.00 33.50 32.93 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 -3.79 0.00 -4.92 3.54 2.88 -1.26 -3.90 113.62 106.17 1o6x n SER 18 Ca 0.09 0.00 -0.19 0.00 -1.33 0.00 0.00 58.87 57.44 1o6x n SER 18 Cb 0.34 0.05 -0.02 0.00 -0.75 0.00 0.00 64.21 63.83 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 -1.14 5.26 0.07 -3.46 0.01 -1.26 -4.62 114.94 109.80 1o6x s ASN 19 Ca 0.00 -0.63 -0.15 0.00 -0.71 0.00 0.00 52.86 51.37 1o6x s ASN 19 Cb 0.00 -0.61 -0.18 0.00 0.41 0.00 0.00 41.25 40.87 1o6x s ASN 19 CO 0.00 -0.68 1.25 -0.33 -1.51 0.00 0.00 177.10 175.82 1o6x h GLU 20 N 0.90 0.68 -0.57 -0.60 3.07 -1.98 -2.87 114.58 113.20 1o6x h GLU 20 Ca -0.41 -0.59 0.07 0.00 -0.50 0.00 0.00 59.36 57.93 1o6x h GLU 20 Cb 1.27 0.13 -0.06 0.00 -0.84 0.00 0.00 28.75 29.25 1o6x h GLU 20 CO 0.53 1.20 0.25 1.49 -1.40 0.00 0.00 179.01 181.08 1o6x h GLU 21 N 0.35 0.45 -0.61 2.33 4.22 -1.96 1.48 114.58 120.85 1o6x h GLU 21 Ca -0.06 -0.03 0.00 0.00 0.08 0.00 0.00 59.36 59.35 1o6x h GLU 21 Cb 1.37 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 30.49 1o6x h GLU 21 CO 0.15 0.30 0.38 1.96 -2.18 0.00 0.00 179.01 179.62 1o6x h GLN 22 N 0.47 0.81 -0.36 1.92 7.50 -1.87 0.33 115.11 123.92 1o6x h GLN 22 Ca 0.27 -0.06 -0.17 0.00 0.50 0.00 0.00 58.65 59.19 1o6x h GLN 22 Cb 0.26 -0.18 -0.00 0.00 0.05 0.00 0.00 27.48 27.61 1o6x h GLN 22 CO -0.23 0.57 -0.44 0.82 -1.50 0.00 0.00 178.83 178.04 1o6x h ILE 23 N 0.82 1.27 0.00 2.54 2.04 -1.04 -2.22 117.51 120.93 1o6x h ILE 23 Ca 0.22 -1.62 0.00 0.00 1.00 0.00 0.00 64.86 64.46 1o6x h ILE 23 Cb -0.05 1.46 0.00 0.00 -0.74 0.00 0.00 36.82 37.49 1o6x h ILE 23 CO -0.04 0.54 0.00 1.17 0.00 0.00 0.00 178.15 179.81 1o6x n LYS 24 N -4.04 0.13 -0.03 2.37 4.81 0.50 -2.02 118.16 119.88 1o6x n LYS 24 Ca -0.03 0.47 -0.14 0.00 -0.87 0.00 0.00 58.31 57.74 1o6x n LYS 24 Cb 0.58 -1.80 -0.10 0.00 0.02 0.00 0.00 35.03 33.73 1o6x n LYS 24 CO 0.00 0.00 0.00 -0.97 1.17 0.00 0.00 177.40 177.60 1o6x h ASN 25 N 0.00 0.19 -0.45 3.14 -0.73 -0.29 -2.27 115.58 115.16 1o6x h ASN 25 Ca 0.00 -0.61 -0.02 0.00 1.87 0.00 0.00 56.30 57.54 1o6x h ASN 25 Cb 0.20 -0.05 -0.02 0.00 0.27 0.00 0.00 38.32 38.72 1o6x h ASN 25 CO 0.00 0.76 0.21 -0.07 -0.37 0.00 0.00 177.43 177.96 1o6x h LEU 26 N -0.38 0.60 -0.15 0.34 3.38 -1.41 -1.01 115.31 116.68 1o6x h LEU 26 Ca -0.00 -0.14 0.05 0.00 0.09 0.00 0.00 57.88 57.88 1o6x h LEU 26 Cb 0.74 -0.15 -0.06 0.00 0.09 0.00 0.00 40.66 41.28 1o6x h LEU 26 CO 0.03 0.57 -0.27 -0.07 0.09 0.00 0.00 178.44 178.79 1o6x h LEU 27 N 0.58 -0.84 -1.31 1.67 3.38 -1.51 1.22 115.31 118.51 1o6x h LEU 27 Ca 0.15 0.13 0.07 0.00 0.09 0.00 0.00 57.88 58.32 1o6x h LEU 27 Cb 0.14 0.37 -0.05 0.00 0.09 0.00 0.00 40.66 41.21 1o6x h LEU 27 CO -0.02 -0.31 0.51 -0.61 0.09 0.00 0.00 178.44 178.10 1o6x h GLN 28 N -0.33 0.81 0.28 1.13 4.15 -1.16 0.38 115.11 120.38 1o6x h GLN 28 Ca 0.11 -0.05 -0.01 0.00 0.77 0.00 0.00 58.65 59.46 1o6x h GLN 28 Cb 0.49 -0.18 0.00 0.00 0.21 0.00 0.00 27.48 28.00 1o6x h GLN 28 CO -0.34 0.53 -0.14 1.25 -1.93 0.00 0.00 178.83 178.21 1o6x h LEU 29 N 0.83 -0.32 -1.95 -2.39 5.85 0.45 -2.98 115.31 114.80 1o6x h LEU 29 Ca 0.34 0.01 0.31 0.00 0.84 0.00 0.00 57.88 59.38 1o6x h LEU 29 Cb 0.25 0.08 -0.05 0.00 0.37 0.00 0.00 40.66 41.32 1o6x h LEU 29 CO -0.12 -0.11 0.77 -0.08 -0.34 0.00 0.00 178.44 178.56 1o6x h GLU 30 N -0.63 0.03 -0.48 1.25 4.81 0.16 0.49 114.58 120.21 1o6x h GLU 30 Ca -0.04 -0.00 0.03 0.00 -0.13 0.00 0.00 59.36 59.22 1o6x h GLU 30 Cb 0.29 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.63 1o6x h GLU 30 CO 0.06 0.02 0.27 0.00 -0.73 0.00 0.00 179.01 178.64 1o6x h ALA 31 N 1.47 0.61 -0.97 2.92 0.00 -0.18 -3.39 119.26 119.72 1o6x h ALA 31 Ca 0.52 -0.00 -0.52 0.00 0.00 0.00 0.00 54.91 54.90 1o6x h ALA 31 Cb 2.01 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 19.65 1o6x h ALA 31 CO -0.03 -0.05 1.63 1.04 0.00 0.00 0.00 179.25 181.84 1o6x n GLN 32 N -4.84 0.72 -0.34 0.00 1.13 0.17 -4.80 117.38 109.43 1o6x n GLN 32 Ca 0.03 0.07 -0.09 0.00 -1.94 0.00 0.00 57.00 55.07 1o6x n GLN 32 Cb 0.08 -2.59 -0.08 0.00 0.11 0.00 0.00 30.24 27.76 1o6x n GLN 32 CO 0.00 0.00 0.00 -1.91 -1.44 0.00 0.00 177.06 173.71 1o6x n GLU 33 N 8.66 -0.36 -0.33 -1.09 2.13 -1.26 0.20 120.64 128.59 1o6x n GLU 33 Ca 0.47 1.30 0.23 0.00 0.66 0.00 0.00 57.16 59.82 1o6x n GLU 33 Cb 0.31 -1.91 0.44 0.00 0.27 0.00 0.00 31.44 30.54 1o6x n GLU 33 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 1o6x h HIS 34 N 0.00 0.49 -1.79 4.31 -0.00 -1.93 1.47 115.15 117.70 1o6x h HIS 34 Ca 0.13 0.05 -0.75 0.00 -0.00 0.00 0.00 60.37 59.80 1o6x h HIS 34 Cb 0.33 -0.05 -0.27 0.00 -0.00 0.00 0.00 27.41 27.42 1o6x h HIS 34 CO -0.91 -0.40 1.02 1.28 -0.00 0.00 0.00 177.93 178.93 1o6x n LEU 35 N -5.31 7.56 -3.34 2.43 4.77 0.54 -4.86 117.00 118.79 1o6x n LEU 35 Ca 0.30 -4.72 -0.28 0.00 -0.03 0.00 0.00 56.01 51.28 1o6x n LEU 35 Cb 1.01 -1.05 -0.04 0.00 -2.33 0.00 0.00 43.42 41.00 1o6x n LEU 35 CO -0.00 1.70 1.92 0.00 -1.33 0.00 0.00 177.39 179.68 1o6x n GLN 36 N -0.60 1.23 -1.85 3.23 6.02 0.50 -4.29 117.38 121.63 1o6x n GLN 36 Ca 0.56 -1.35 -0.30 0.00 -0.01 0.00 0.00 57.00 55.89 1o6x n GLN 36 Cb 0.32 -2.53 0.05 0.00 1.02 0.00 0.00 30.24 29.10 1o6x n GLN 36 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1o6x s LEU 37 N 0.42 2.87 -0.21 1.08 1.02 -1.26 -5.07 118.68 117.53 1o6x s LEU 37 Ca 0.43 1.14 -0.02 0.00 0.02 0.00 0.00 54.13 55.70 1o6x s LEU 37 Cb 0.10 -3.92 0.07 0.00 0.02 0.00 0.00 46.19 42.46 1o6x s LEU 37 CO 0.08 -1.41 0.03 -0.62 0.02 0.00 0.00 176.35 174.45 1o6x s ASP 38 N -4.32 3.19 -0.08 2.29 2.15 -1.26 -4.89 116.67 113.75 1o6x s ASP 38 Ca 0.58 -0.97 -0.30 0.00 0.43 0.00 0.00 52.55 52.29 1o6x s ASP 38 Cb -0.11 -0.71 -0.04 0.00 -0.30 0.00 0.00 42.92 41.76 1o6x s ASP 38 CO 0.52 -0.31 1.39 -0.36 -0.17 0.00 0.00 175.17 176.24 1o6x s PHE 39 N 1.76 2.68 0.21 -5.34 0.08 -1.26 -4.22 117.98 111.89 1o6x s PHE 39 Ca -0.00 0.78 -0.09 0.00 0.12 0.00 0.00 56.93 57.73 1o6x s PHE 39 Cb -0.17 -3.64 0.22 0.00 -0.57 0.00 0.00 43.02 38.85 1o6x s PHE 39 CO -0.10 -2.40 1.84 -1.49 -0.10 0.00 0.00 175.22 172.98 1o6x h TRP 40 N 8.33 0.83 -3.49 0.36 4.06 -0.66 -3.29 115.95 122.09 1o6x h TRP 40 Ca -0.34 0.02 -0.67 0.00 2.06 0.00 0.00 58.89 59.96 1o6x h TRP 40 Cb 1.15 -0.27 -0.38 0.00 -1.00 0.00 0.00 29.16 28.66 1o6x h TRP 40 CO 0.80 0.46 -0.48 0.15 -3.56 0.00 0.00 178.44 175.80 1o6x s LYS 41 N -6.11 2.29 -0.60 0.49 1.02 -1.26 -4.92 119.74 110.65 1o6x s LYS 41 Ca -0.13 -2.53 -0.36 0.00 0.02 0.00 0.00 55.97 52.98 1o6x s LYS 41 Cb 0.16 -3.55 -0.18 0.00 -0.52 0.00 0.00 37.83 33.74 1o6x s LYS 41 CO 0.77 -1.14 2.08 -1.13 -0.92 0.00 0.00 175.35 175.02 1o6x n SER 42 N 3.39 0.54 -2.59 2.83 3.41 -1.24 -4.27 113.62 115.69 1o6x n SER 42 Ca 0.06 0.46 -0.17 0.00 -0.26 0.00 0.00 58.87 58.96 1o6x n SER 42 Cb 0.36 -0.81 -0.08 0.00 -0.26 0.00 0.00 64.21 63.41 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 7.02 2.02 0.32 4.33 -0.04 -1.26 -4.49 135.00 142.90 1o6x n PRO 43 Ca 0.53 -1.17 -0.13 0.00 -0.04 0.00 0.00 63.50 62.68 1o6x n PRO 43 Cb -0.02 -2.17 -0.06 0.00 -0.04 0.00 0.00 33.50 31.21 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 2.67 0.00 -1.95 0.52 2.02 -1.89 -3.45 112.91 110.83 1o6x h THR 44 Ca 0.36 -0.36 -0.51 0.00 0.77 0.00 0.00 66.41 66.66 1o6x h THR 44 Cb 0.75 0.00 -0.05 0.00 -1.74 0.00 0.00 68.15 67.11 1o6x h THR 44 CO 0.83 0.00 -0.49 0.42 0.37 0.00 0.00 175.52 176.65 1o6x s THR 45 N -4.34 3.66 0.47 3.16 -4.23 -1.26 -4.98 115.64 108.11 1o6x s THR 45 Ca -0.13 -1.46 -0.21 0.00 -1.18 0.00 0.00 61.69 58.71 1o6x s THR 45 Cb 0.01 -3.18 -0.09 0.00 1.34 0.00 0.00 72.50 70.59 1o6x s THR 45 CO 0.38 -0.23 1.04 -2.16 -0.54 0.00 0.00 174.62 173.11 1o6x s PRO 46 N -3.92 3.89 0.00 3.99 0.04 -1.26 -3.53 135.00 134.21 1o6x s PRO 46 Ca 0.38 1.40 0.00 0.00 0.04 0.00 0.00 61.00 62.82 1o6x s PRO 46 Cb -0.06 -2.20 0.00 0.00 0.04 0.00 0.00 34.50 32.28 1o6x s PRO 46 CO 0.25 -0.36 0.00 0.41 0.04 0.00 0.00 177.00 177.34 1o6x n GLY 47 N -0.11 3.37 3.40 0.56 0.00 -1.25 -4.95 105.19 106.21 1o6x n GLY 47 Ca 0.08 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.66 1o6x n GLY 47 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1o6x s GLU 48 N -0.83 3.07 0.47 1.61 0.41 -1.23 -4.99 118.70 117.21 1o6x s GLU 48 Ca 0.00 -1.15 -0.24 0.00 -0.41 0.00 0.00 54.97 53.17 1o6x s GLU 48 Cb 0.00 -4.20 -0.08 0.00 -1.78 0.00 0.00 34.13 28.07 1o6x s GLU 48 CO 0.00 -1.42 1.30 0.25 -0.49 0.00 0.00 175.26 174.90 1o6x n THR 49 N 5.57 3.03 -4.18 3.63 -2.24 -1.26 -4.66 114.28 114.17 1o6x n THR 49 Ca -0.08 -0.50 -0.25 0.00 -2.27 0.00 0.00 64.05 60.95 1o6x n THR 49 Cb 0.44 -1.61 -0.07 0.00 -2.10 0.00 0.00 70.33 66.99 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 -1.25 3.33 -0.32 6.98 0.00 -0.41 -4.50 121.76 125.59 1o6x s ALA 50 Ca 0.65 -1.40 0.02 0.00 0.00 0.00 0.00 51.96 51.24 1o6x s ALA 50 Cb -0.47 -1.07 0.16 0.00 0.00 0.00 0.00 23.12 21.74 1o6x s ALA 50 CO 0.55 0.41 0.40 -1.01 0.00 0.00 0.00 175.76 176.10 1o6x s HIS 51 N -1.90 -0.77 -0.00 0.00 3.76 -1.25 -1.19 115.29 113.93 1o6x s HIS 51 Ca 0.30 -0.09 0.03 0.00 -0.15 0.00 0.00 55.06 55.15 1o6x s HIS 51 Cb -0.09 -0.25 -0.03 0.00 1.11 0.00 0.00 32.58 33.32 1o6x s HIS 51 CO 0.21 -0.99 -0.08 0.54 -0.85 0.00 0.00 174.74 173.57 1o6x s VAL 52 N 2.16 3.56 -1.12 -0.90 0.11 -1.23 0.17 120.40 123.14 1o6x s VAL 52 Ca 0.12 -0.77 -0.17 0.00 -2.93 0.00 0.00 61.98 58.23 1o6x s VAL 52 Cb -0.13 -2.53 0.12 0.00 -1.53 0.00 0.00 36.38 32.32 1o6x s VAL 52 CO -0.22 0.42 1.41 -0.13 -3.33 0.00 0.00 175.10 173.26 1o6x s ARG 53 N -1.32 3.85 0.24 1.54 0.52 -1.26 -2.92 118.95 119.61 1o6x s ARG 53 Ca 0.16 -2.01 -0.23 0.00 -0.52 0.00 0.00 55.73 53.13 1o6x s ARG 53 Cb -0.11 -5.16 -0.09 0.00 0.52 0.00 0.00 34.95 30.11 1o6x s ARG 53 CO 0.06 -1.94 0.81 0.54 0.02 0.00 0.00 175.30 174.79 1o6x s VAL 54 N 2.95 4.41 0.18 3.52 0.11 0.42 -4.62 120.40 127.36 1o6x s VAL 54 Ca 0.43 1.56 -0.30 0.00 -2.93 0.00 0.00 61.98 60.73 1o6x s VAL 54 Cb -0.02 -3.98 -0.08 0.00 -1.53 0.00 0.00 36.38 30.78 1o6x s VAL 54 CO -0.03 0.26 1.12 -2.16 -3.33 0.00 0.00 175.10 170.97 1o6x s PRO 55 N -1.80 4.57 0.35 1.54 0.04 -1.26 0.11 135.00 138.55 1o6x s PRO 55 Ca 0.43 1.75 0.13 0.00 0.04 0.00 0.00 61.00 63.36 1o6x s PRO 55 Cb -0.19 -3.27 0.96 0.00 0.04 0.00 0.00 34.50 32.04 1o6x s PRO 55 CO 0.23 0.03 1.76 0.35 0.04 0.00 0.00 177.00 179.41 1o6x h PHE 56 N 5.17 0.86 0.00 0.56 3.57 -1.85 2.29 116.94 127.53 1o6x h PHE 56 Ca -0.44 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.09 1o6x h PHE 56 Cb 1.21 -0.25 0.00 0.00 2.79 0.00 0.00 35.95 39.70 1o6x h PHE 56 CO 0.63 0.09 0.00 -0.24 -2.23 0.00 0.00 178.31 176.56 1o6x h VAL 57 N 0.53 0.00 -0.01 1.41 3.04 -1.91 -1.59 116.25 117.72 1o6x h VAL 57 Ca 0.61 -0.34 0.00 0.00 -1.01 0.00 0.00 66.70 65.96 1o6x h VAL 57 Cb 1.29 1.30 0.00 0.00 -2.01 0.00 0.00 31.29 31.87 1o6x h VAL 57 CO -0.38 0.00 0.00 -3.20 -1.01 0.00 0.00 177.57 172.98 1o6x n ASN 58 N -2.99 2.13 0.08 3.17 2.85 0.64 -4.60 115.26 116.53 1o6x n ASN 58 Ca -0.00 -2.31 -0.10 0.00 -0.11 0.00 0.00 54.58 52.05 1o6x n ASN 58 Cb 0.23 -0.13 -0.01 0.00 1.24 0.00 0.00 39.78 41.11 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 0.04 1.47 0.32 3.44 2.07 0.36 -2.84 116.25 121.11 1o6x h VAL 59 Ca 0.00 -2.55 -0.02 0.00 0.82 0.00 0.00 66.70 64.96 1o6x h VAL 59 Cb 0.65 2.43 0.00 0.00 -1.52 0.00 0.00 31.29 32.86 1o6x h VAL 59 CO 0.00 0.75 -0.15 -0.61 0.02 0.00 0.00 177.57 177.58 1o6x h GLN 60 N 0.14 -0.41 -1.20 1.57 5.75 -1.81 0.24 115.11 119.39 1o6x h GLN 60 Ca -0.05 0.03 0.36 0.00 -0.15 0.00 0.00 58.65 58.84 1o6x h GLN 60 Cb 1.51 0.09 -0.11 0.00 1.07 0.00 0.00 27.48 30.04 1o6x h GLN 60 CO 0.14 -0.27 0.77 0.00 -2.65 0.00 0.00 178.83 176.82 1o6x h ALA 61 N -1.54 2.52 -0.09 3.38 0.00 -1.85 1.11 119.26 122.79 1o6x h ALA 61 Ca -0.04 0.09 -0.10 0.00 0.00 0.00 0.00 54.91 54.86 1o6x h ALA 61 Cb 0.32 0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1o6x h ALA 61 CO 0.07 -1.06 -0.33 0.28 0.00 0.00 0.00 179.25 178.21 1o6x h VAL 62 N 0.21 1.40 -0.75 0.00 2.07 -1.45 -1.49 116.25 116.23 1o6x h VAL 62 Ca 0.73 -1.69 0.10 0.00 0.82 0.00 0.00 66.70 66.65 1o6x h VAL 62 Cb 2.13 2.22 -0.05 0.00 -1.52 0.00 0.00 31.29 34.07 1o6x h VAL 62 CO -0.37 0.49 0.49 0.50 0.02 0.00 0.00 177.57 178.71 1o6x h LYS 63 N -0.06 0.64 -0.09 1.57 3.64 0.46 0.18 116.57 122.91 1o6x h LYS 63 Ca -0.02 -0.04 -0.18 0.00 -1.27 0.00 0.00 60.65 59.15 1o6x h LYS 63 Cb 0.97 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 32.64 1o6x h LYS 63 CO 0.07 0.42 -0.71 0.28 -2.27 0.00 0.00 179.45 177.24 1o6x h VAL 64 N 0.66 1.37 0.34 2.00 2.07 -0.33 -2.97 116.25 119.39 1o6x h VAL 64 Ca 0.35 -2.11 -0.02 0.00 0.82 0.00 0.00 66.70 65.74 1o6x h VAL 64 Cb 0.47 2.08 0.00 0.00 -1.52 0.00 0.00 31.29 32.33 1o6x h VAL 64 CO -0.13 0.63 -0.16 0.15 0.02 0.00 0.00 177.57 178.09 1o6x h PHE 65 N 0.28 -0.42 -0.12 1.57 3.57 0.36 0.11 116.94 122.29 1o6x h PHE 65 Ca -0.03 -0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.50 1o6x h PHE 65 Cb 1.28 0.14 -0.07 0.00 2.79 0.00 0.00 35.95 40.09 1o6x h PHE 65 CO 0.04 -0.19 -0.43 -0.07 -2.23 0.00 0.00 178.31 175.44 1o6x h LEU 66 N -0.57 -1.35 -0.63 0.59 3.38 -1.06 0.21 115.31 115.88 1o6x h LEU 66 Ca -0.05 0.18 0.10 0.00 0.09 0.00 0.00 57.88 58.20 1o6x h LEU 66 Cb 0.42 0.54 -0.07 0.00 0.09 0.00 0.00 40.66 41.64 1o6x h LEU 66 CO 0.08 -0.43 0.25 -0.33 0.09 0.00 0.00 178.44 178.09 1o6x h GLU 67 N -0.50 0.43 -0.78 1.13 4.39 -1.47 -0.07 114.58 117.70 1o6x h GLU 67 Ca 0.07 -0.03 0.10 0.00 0.34 0.00 0.00 59.36 59.84 1o6x h GLU 67 Cb 0.63 -0.10 -0.07 0.00 -0.10 0.00 0.00 28.75 29.11 1o6x h GLU 67 CO -0.40 0.28 0.42 0.66 -1.16 0.00 0.00 179.01 178.81 1o6x h SER 68 N 0.44 0.57 -0.11 1.42 4.64 0.82 0.58 113.55 121.90 1o6x h SER 68 Ca 0.32 0.06 0.00 0.00 -0.47 0.00 0.00 61.79 61.70 1o6x h SER 68 Cb 0.39 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 62.44 1o6x h SER 68 CO -0.31 0.31 0.00 0.00 -0.87 0.00 0.00 176.83 175.97 1o6x n GLN 69 N -4.81 1.37 -3.99 4.77 10.64 0.58 -4.88 117.38 121.06 1o6x n GLN 69 Ca 0.13 -0.44 -0.30 0.00 -1.83 0.00 0.00 57.00 54.56 1o6x n GLN 69 Cb 0.29 -1.26 -0.02 0.00 -0.86 0.00 0.00 30.24 28.40 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 0.50 -0.42 3.88 2.61 0.00 0.20 -4.81 105.19 107.15 1o6x n GLY 70 Ca 0.04 0.23 -0.26 0.00 0.00 0.00 0.00 46.02 46.04 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 -3.90 1.80 -0.11 -0.61 2.07 -0.52 -5.01 121.20 114.92 1o6x s ILE 71 Ca 0.15 -1.52 0.00 0.00 -1.41 0.00 0.00 60.65 57.87 1o6x s ILE 71 Cb -0.07 -2.33 0.02 0.00 0.13 0.00 0.00 42.46 40.22 1o6x s ILE 71 CO 0.92 0.00 -0.09 0.00 -1.91 0.00 0.00 174.94 173.86 1o6x s ALA 72 N -2.73 1.37 0.00 1.50 0.00 -1.26 -4.59 121.76 116.05 1o6x s ALA 72 Ca 0.35 -0.57 0.00 0.00 0.00 0.00 0.00 51.96 51.74 1o6x s ALA 72 Cb -0.01 -0.88 0.00 0.00 0.00 0.00 0.00 23.12 22.23 1o6x s ALA 72 CO 0.21 -0.34 0.00 2.48 0.00 0.00 0.00 175.76 178.11 1o6x n TYR 73 N 4.77 0.00 -3.58 0.00 4.11 -1.26 -1.40 117.16 119.81 1o6x n TYR 73 Ca -0.14 0.00 -0.07 0.00 -0.00 0.00 0.00 57.90 57.68 1o6x n TYR 73 Cb 0.50 0.00 -0.02 0.00 -0.00 0.00 0.00 39.34 39.82 1o6x n TYR 73 CO 0.00 0.00 0.00 -1.12 -0.00 0.00 0.00 176.86 175.74 1o6x s SER 74 N -0.88 -0.34 -0.20 9.48 0.01 0.22 -4.94 113.70 117.05 1o6x s SER 74 Ca 0.00 -0.14 -0.11 0.00 1.31 0.00 0.00 55.95 57.01 1o6x s SER 74 Cb 0.00 0.46 -0.05 0.00 0.21 0.00 0.00 66.02 66.64 1o6x s SER 74 CO 0.00 -0.78 0.16 -0.63 0.41 0.00 0.00 173.24 172.41 1o6x s ILE 75 N -3.29 5.38 -0.05 1.44 1.01 -1.26 -0.08 121.20 124.35 1o6x s ILE 75 Ca 0.07 0.25 -0.04 0.00 0.00 0.00 0.00 60.65 60.93 1o6x s ILE 75 Cb -0.01 -3.50 -0.01 0.00 0.01 0.00 0.00 42.46 38.94 1o6x s ILE 75 CO -0.06 0.41 -0.08 0.80 0.00 0.00 0.00 174.94 176.02 1o6x n MET 76 N 3.69 0.15 -4.34 2.79 1.56 -1.23 -4.86 117.12 114.87 1o6x n MET 76 Ca -0.15 0.24 -0.26 0.00 -0.27 0.00 0.00 57.70 57.25 1o6x n MET 76 Cb 0.52 -0.95 -0.10 0.00 2.15 0.00 0.00 33.22 34.84 1o6x n MET 76 CO 0.00 0.00 0.00 -1.50 -0.73 0.00 0.00 175.97 173.74 1o6x s ILE 77 N -1.46 2.93 0.00 1.12 1.10 -1.26 -5.07 121.20 118.55 1o6x s ILE 77 Ca -0.06 -1.86 0.00 0.00 -0.51 0.00 0.00 60.65 58.22 1o6x s ILE 77 Cb 0.01 -2.46 0.00 0.00 0.15 0.00 0.00 42.46 40.16 1o6x s ILE 77 CO 0.09 -0.17 0.00 1.21 -2.11 0.00 0.00 174.94 173.96 1o6x n GLU 78 N -0.07 2.67 -2.22 3.50 2.13 -1.26 -4.15 120.64 121.24 1o6x n GLU 78 Ca -0.10 0.00 -0.43 0.00 0.66 0.00 0.00 57.16 57.29 1o6x n GLU 78 Cb 0.56 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.28 1o6x n GLU 78 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 1o6x n ASP 79 N 0.00 4.60 -4.39 4.31 8.00 -1.26 -4.93 116.55 122.88 1o6x n ASP 79 Ca 0.00 -2.95 -0.50 0.00 0.71 0.00 0.00 54.79 52.04 1o6x n ASP 79 Cb 0.00 -1.61 -0.11 0.00 -0.02 0.00 0.00 41.12 39.37 1o6x n ASP 79 CO 0.00 0.00 0.00 0.55 -0.39 0.00 0.00 177.20 177.36 1o6x n VAL 80 N 4.75 0.03 0.00 2.53 3.14 -1.26 -5.25 118.33 122.27 1o6x n VAL 80 Ca 0.46 -0.10 0.00 0.00 -2.96 0.00 0.00 64.34 61.74 1o6x n VAL 80 Cb 0.40 -0.87 0.00 0.00 -1.06 0.00 0.00 33.84 32.31 1o6x n VAL 80 CO 0.00 0.00 0.00 1.67 -6.46 0.00 0.00 176.83 172.04