#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 1.25 -0.30 0.03 1.81 -1.26 -5.15 118.95 115.33 1o6x s ARG 2 Ca 0.00 -1.66 -0.05 0.00 -1.72 0.00 0.00 55.73 52.30 1o6x s ARG 2 Cb 0.00 0.21 0.19 0.00 -0.45 0.00 0.00 34.95 34.90 1o6x s ARG 2 CO 0.00 -0.39 0.75 0.45 -0.68 0.00 0.00 175.30 175.43 1o6x s SER 3 N -3.19 -1.09 0.16 0.23 0.15 -1.26 -5.17 113.70 103.55 1o6x s SER 3 Ca 0.39 0.66 0.06 0.00 0.70 0.00 0.00 55.95 57.76 1o6x s SER 3 Cb 0.07 1.90 -0.04 0.00 -1.71 0.00 0.00 66.02 66.24 1o6x s SER 3 CO 0.13 -0.20 -0.13 -0.76 1.20 0.00 0.00 173.24 173.47 1o6x s LEU 4 N 2.89 2.50 0.23 3.45 1.43 -1.26 -5.16 118.68 122.76 1o6x s LEU 4 Ca 0.14 -0.95 0.10 0.00 -1.03 0.00 0.00 54.13 52.38 1o6x s LEU 4 Cb -0.13 -0.55 -0.04 0.00 0.03 0.00 0.00 46.19 45.49 1o6x s LEU 4 CO -0.18 -0.20 -0.09 -0.70 0.23 0.00 0.00 176.35 175.40 1o6x s GLU 5 N -3.36 2.04 0.03 1.70 2.12 -1.26 -5.14 118.70 114.82 1o6x s GLU 5 Ca 0.17 -1.42 -0.01 0.00 0.36 0.00 0.00 54.97 54.06 1o6x s GLU 5 Cb -0.01 -2.07 -0.03 0.00 0.26 0.00 0.00 34.13 32.28 1o6x s GLU 5 CO 0.04 0.39 -0.02 0.95 -0.54 0.00 0.00 175.26 176.08 1o6x s THR 6 N -2.05 0.15 0.12 -1.70 -4.23 -1.26 -5.16 115.64 101.50 1o6x s THR 6 Ca 0.28 -1.25 -0.11 0.00 -1.18 0.00 0.00 61.69 59.42 1o6x s THR 6 Cb -0.07 -0.78 0.04 0.00 1.34 0.00 0.00 72.50 73.03 1o6x s THR 6 CO 0.16 -0.69 0.55 0.49 -0.54 0.00 0.00 174.62 174.59 1o6x n PHE 7 N 0.98 -1.10 -4.58 3.99 3.72 -1.26 -5.19 117.46 114.03 1o6x n PHE 7 Ca -0.20 -0.74 -0.30 0.00 -0.05 0.00 0.00 57.45 56.16 1o6x n PHE 7 Cb 0.57 0.36 -0.05 0.00 -0.94 0.00 0.00 39.48 39.42 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 -0.39 0.00 -2.30 -4.37 0.31 -1.26 -5.07 118.33 105.25 1o6x n VAL 8 Ca -0.02 -2.24 0.03 0.00 -0.01 0.00 0.00 64.34 62.10 1o6x n VAL 8 Cb 0.32 0.37 0.03 0.00 -0.91 0.00 0.00 33.84 33.65 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 -0.85 1.18 2.71 2.92 0.00 -1.26 -4.98 105.19 104.92 1o6x n GLY 9 Ca -0.17 -0.68 -0.19 0.00 0.00 0.00 0.00 46.02 44.99 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 0.25 0.47 -3.59 1.61 9.92 -1.26 -2.21 116.55 121.75 1o6x n ASP 10 Ca 0.05 -1.55 -0.01 0.00 -0.53 0.00 0.00 54.79 52.75 1o6x n ASP 10 Cb 1.01 -0.59 -0.06 0.00 -0.64 0.00 0.00 41.12 40.84 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 -4.69 0.33 0.64 -1.24 -0.44 0.21 -4.51 119.66 109.96 1o6x s GLN 11 Ca 0.50 0.62 -0.06 0.00 -2.50 0.00 0.00 55.36 53.92 1o6x s GLN 11 Cb -0.02 0.15 0.03 0.00 -1.64 0.00 0.00 33.01 31.53 1o6x s GLN 11 CO 0.34 -0.08 0.94 0.08 0.50 0.00 0.00 175.29 177.08 1o6x s VAL 12 N 1.56 3.07 -0.13 1.34 1.01 -1.11 -0.12 120.40 126.03 1o6x s VAL 12 Ca -0.07 -0.12 -0.22 0.00 0.00 0.00 0.00 61.98 61.57 1o6x s VAL 12 Cb -0.04 -3.26 0.05 0.00 0.00 0.00 0.00 36.38 33.14 1o6x s VAL 12 CO -0.15 -0.27 0.55 -1.48 0.00 0.00 0.00 175.10 173.75 1o6x s LEU 13 N -5.09 -0.10 -0.23 3.92 0.05 -1.13 -3.46 118.68 112.64 1o6x s LEU 13 Ca 0.57 0.83 -0.12 0.00 0.05 0.00 0.00 54.13 55.46 1o6x s LEU 13 Cb -0.11 1.97 -0.05 0.00 -2.05 0.00 0.00 46.19 45.95 1o6x s LEU 13 CO 0.45 -0.35 0.21 -1.83 -0.55 0.00 0.00 176.35 174.28 1o6x s GLU 14 N -0.39 4.11 0.06 1.48 -1.05 0.16 -3.58 118.70 119.48 1o6x s GLU 14 Ca -0.05 -0.15 0.08 0.00 -0.15 0.00 0.00 54.97 54.69 1o6x s GLU 14 Cb -0.03 -3.53 -0.03 0.00 -0.44 0.00 0.00 34.13 30.10 1o6x s GLU 14 CO 0.04 0.06 -0.20 0.42 0.95 0.00 0.00 175.26 176.53 1o6x s ILE 15 N 1.06 2.69 -0.40 1.83 1.01 -0.41 0.76 121.20 127.73 1o6x s ILE 15 Ca 0.10 -1.31 0.01 0.00 0.00 0.00 0.00 60.65 59.45 1o6x s ILE 15 Cb -0.14 -2.15 0.14 0.00 0.01 0.00 0.00 42.46 40.32 1o6x s ILE 15 CO 0.05 0.27 0.23 -0.69 0.00 0.00 0.00 174.94 174.81 1o6x s VAL 16 N -0.97 0.78 0.63 2.92 1.01 0.99 -1.10 120.40 124.66 1o6x s VAL 16 Ca 0.15 -2.18 -0.11 0.00 0.00 0.00 0.00 61.98 59.84 1o6x s VAL 16 Cb -0.10 -1.55 0.15 0.00 0.00 0.00 0.00 36.38 34.87 1o6x s VAL 16 CO 0.06 -0.96 0.70 -0.81 0.00 0.00 0.00 175.10 174.09 1o6x n PRO 17 N 3.73 -1.47 0.00 2.72 -0.04 -1.26 -4.23 135.00 134.45 1o6x n PRO 17 Ca 0.11 -1.09 0.00 0.00 -0.04 0.00 0.00 63.50 62.48 1o6x n PRO 17 Cb 0.36 -0.86 0.00 0.00 -0.04 0.00 0.00 33.50 32.96 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 -3.77 0.00 -4.95 3.54 2.88 -1.26 -4.03 113.62 106.02 1o6x n SER 18 Ca 0.09 0.00 -0.23 0.00 -1.33 0.00 0.00 58.87 57.40 1o6x n SER 18 Cb 0.33 0.03 -0.02 0.00 -0.75 0.00 0.00 64.21 63.80 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 -1.09 6.32 0.34 -3.46 -0.87 -1.26 -4.81 114.94 110.11 1o6x s ASN 19 Ca 0.00 0.28 0.15 0.00 -1.57 0.00 0.00 52.86 51.71 1o6x s ASN 19 Cb 0.00 -1.95 0.61 0.00 -0.02 0.00 0.00 41.25 39.88 1o6x s ASN 19 CO 0.00 -0.16 1.73 -0.33 -2.57 0.00 0.00 177.10 175.77 1o6x h GLU 20 N 1.13 0.00 0.35 -0.60 3.07 -1.99 -2.32 114.58 114.22 1o6x h GLU 20 Ca -0.50 0.00 -0.02 0.00 -0.50 0.00 0.00 59.36 58.34 1o6x h GLU 20 Cb 1.22 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.13 1o6x h GLU 20 CO 0.62 0.45 -0.17 1.49 -1.40 0.00 0.00 179.01 180.01 1o6x h GLU 21 N 0.00 -0.45 0.00 2.33 4.57 -1.98 0.53 114.58 119.58 1o6x h GLU 21 Ca -0.00 0.03 -0.02 0.00 -1.18 0.00 0.00 59.36 58.18 1o6x h GLU 21 Cb 0.89 0.10 -0.00 0.00 -0.16 0.00 0.00 28.75 29.58 1o6x h GLU 21 CO 0.06 -0.18 -0.10 1.96 -1.18 0.00 0.00 179.01 179.56 1o6x h GLN 22 N -0.67 0.00 0.12 1.92 4.20 -1.81 -0.71 115.11 118.15 1o6x h GLN 22 Ca -0.05 0.00 -0.29 0.00 0.06 0.00 0.00 58.65 58.37 1o6x h GLN 22 Cb 0.48 0.00 0.02 0.00 0.30 0.00 0.00 27.48 28.28 1o6x h GLN 22 CO 0.08 0.10 -1.24 0.82 -0.67 0.00 0.00 178.83 177.92 1o6x h ILE 23 N 0.00 1.32 0.00 2.54 2.04 -1.06 -3.10 117.51 119.24 1o6x h ILE 23 Ca -0.00 -2.55 -0.01 0.00 1.00 0.00 0.00 64.86 63.29 1o6x h ILE 23 Cb 0.26 2.73 -0.00 0.00 -0.74 0.00 0.00 36.82 39.07 1o6x h ILE 23 CO 0.01 0.77 -0.06 0.50 0.00 0.00 0.00 178.15 179.37 1o6x h LYS 24 N 0.24 0.00 0.76 2.37 3.64 0.95 -2.99 116.57 121.53 1o6x h LYS 24 Ca -0.18 0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.17 1o6x h LYS 24 Cb 1.91 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 33.74 1o6x h LYS 24 CO 0.23 0.06 -0.36 -0.97 -2.27 0.00 0.00 179.45 176.14 1o6x h ASN 25 N 0.00 -0.86 -0.04 4.20 -1.24 -1.09 -0.52 115.58 116.03 1o6x h ASN 25 Ca -0.00 0.03 0.02 0.00 0.71 0.00 0.00 56.30 57.06 1o6x h ASN 25 Cb 0.53 0.22 -0.05 0.00 0.73 0.00 0.00 38.32 39.75 1o6x h ASN 25 CO 0.01 -0.54 -0.50 0.25 -1.29 0.00 0.00 177.43 175.35 1o6x h LEU 26 N -1.17 -1.57 -0.85 0.34 5.85 -1.57 0.12 115.31 116.45 1o6x h LEU 26 Ca -0.10 0.18 0.16 0.00 0.84 0.00 0.00 57.88 58.96 1o6x h LEU 26 Cb 0.78 0.60 -0.16 0.00 0.37 0.00 0.00 40.66 42.26 1o6x h LEU 26 CO 0.17 -0.48 -0.26 -0.07 -0.34 0.00 0.00 178.44 177.46 1o6x h LEU 27 N -0.60 -0.95 -1.17 2.25 3.38 -1.57 1.57 115.31 118.21 1o6x h LEU 27 Ca 0.02 0.26 0.10 0.00 0.09 0.00 0.00 57.88 58.35 1o6x h LEU 27 Cb 0.66 0.58 -0.07 0.00 0.09 0.00 0.00 40.66 41.92 1o6x h LEU 27 CO -0.36 -0.29 0.59 -0.61 0.09 0.00 0.00 178.44 177.86 1o6x h GLN 28 N -0.02 0.88 0.45 1.13 -0.00 0.46 0.31 115.11 118.31 1o6x h GLN 28 Ca 0.38 -0.05 -0.02 0.00 -0.00 0.00 0.00 58.65 58.96 1o6x h GLN 28 Cb 0.62 -0.20 0.00 0.00 0.00 0.00 0.00 27.48 27.90 1o6x h GLN 28 CO -0.88 0.58 -0.21 1.25 0.00 0.00 0.00 178.83 179.57 1o6x h LEU 29 N 0.91 -0.51 -0.98 -2.39 5.85 0.46 -3.01 115.31 115.63 1o6x h LEU 29 Ca 0.43 0.02 0.26 0.00 0.84 0.00 0.00 57.88 59.42 1o6x h LEU 29 Cb 0.42 0.13 -0.13 0.00 0.37 0.00 0.00 40.66 41.45 1o6x h LEU 29 CO -0.19 -0.25 0.54 -0.08 -0.34 0.00 0.00 178.44 178.13 1o6x h GLU 30 N -0.83 0.46 -0.65 1.25 4.22 -0.10 0.38 114.58 119.31 1o6x h GLU 30 Ca -0.06 -0.03 0.14 0.00 0.08 0.00 0.00 59.36 59.49 1o6x h GLU 30 Cb 0.46 -0.10 -0.11 0.00 0.50 0.00 0.00 28.75 29.50 1o6x h GLU 30 CO 0.10 0.30 0.01 0.00 -2.18 0.00 0.00 179.01 177.25 1o6x h ALA 31 N 1.76 0.66 -1.20 2.92 0.00 -0.35 -3.37 119.26 119.68 1o6x h ALA 31 Ca 0.65 0.20 -0.45 0.00 0.00 0.00 0.00 54.91 55.30 1o6x h ALA 31 Cb 1.31 0.34 -0.01 0.00 0.00 0.00 0.00 17.79 19.43 1o6x h ALA 31 CO -0.52 -0.39 1.62 1.04 0.00 0.00 0.00 179.25 180.99 1o6x n GLN 32 N -5.28 0.79 -0.37 0.00 1.13 0.13 -4.80 117.38 108.97 1o6x n GLN 32 Ca 0.10 -0.03 -0.06 0.00 -1.94 0.00 0.00 57.00 55.07 1o6x n GLN 32 Cb 0.38 -3.01 -0.03 0.00 0.11 0.00 0.00 30.24 27.69 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 8.86 -0.32 -0.33 -1.09 -0.58 -1.26 0.20 120.64 126.12 1o6x n GLU 33 Ca 0.44 1.41 0.23 0.00 -0.42 0.00 0.00 57.16 58.82 1o6x n GLU 33 Cb 0.43 -2.08 0.44 0.00 -0.57 0.00 0.00 31.44 29.66 1o6x n GLU 33 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 1o6x h HIS 34 N 0.00 0.49 -1.81 -0.32 3.86 -1.91 1.47 115.15 116.92 1o6x h HIS 34 Ca 0.23 0.05 -0.75 0.00 -1.16 0.00 0.00 60.37 58.74 1o6x h HIS 34 Cb 0.46 -0.05 -0.28 0.00 1.06 0.00 0.00 27.41 28.60 1o6x h HIS 34 CO -0.89 -0.40 0.97 1.28 0.86 0.00 0.00 177.93 179.75 1o6x n LEU 35 N -5.31 7.47 -3.35 2.43 4.77 0.52 -4.87 117.00 118.67 1o6x n LEU 35 Ca 0.30 -4.76 -0.29 0.00 -0.03 0.00 0.00 56.01 51.24 1o6x n LEU 35 Cb 1.01 -1.03 -0.04 0.00 -2.33 0.00 0.00 43.42 41.03 1o6x n LEU 35 CO -0.00 1.73 1.96 0.00 -1.33 0.00 0.00 177.39 179.75 1o6x n GLN 36 N -0.60 1.31 -2.67 3.23 6.02 0.50 -4.26 117.38 120.91 1o6x n GLN 36 Ca 0.55 -1.39 -0.34 0.00 -0.01 0.00 0.00 57.00 55.81 1o6x n GLN 36 Cb 0.32 -2.55 -0.05 0.00 1.02 0.00 0.00 30.24 28.98 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 0.45 3.93 -0.23 1.08 1.02 -1.26 -5.04 118.68 118.63 1o6x s LEU 37 Ca 0.43 1.83 -0.07 0.00 0.02 0.00 0.00 54.13 56.35 1o6x s LEU 37 Cb 0.11 -4.50 -0.03 0.00 0.02 0.00 0.00 46.19 41.78 1o6x s LEU 37 CO 0.07 -0.56 0.05 -1.81 0.02 0.00 0.00 176.35 174.13 1o6x s ASP 38 N -2.02 5.14 -0.16 2.29 1.11 -1.26 -4.88 116.67 116.89 1o6x s ASP 38 Ca 0.64 -0.16 -0.19 0.00 0.18 0.00 0.00 52.55 53.02 1o6x s ASP 38 Cb -0.14 -1.91 -0.03 0.00 1.07 0.00 0.00 42.92 41.91 1o6x s ASP 38 CO 0.18 0.02 0.53 -0.36 1.18 0.00 0.00 175.17 176.72 1o6x s PHE 39 N 1.26 3.44 -0.01 4.23 0.08 -1.26 -4.10 117.98 121.61 1o6x s PHE 39 Ca 0.04 0.87 -0.21 0.00 0.12 0.00 0.00 56.93 57.76 1o6x s PHE 39 Cb -0.15 -2.66 -0.11 0.00 -0.57 0.00 0.00 43.02 39.53 1o6x s PHE 39 CO 0.03 -0.00 0.86 -1.49 -0.10 0.00 0.00 175.22 174.52 1o6x h TRP 40 N 7.15 -0.69 -3.50 0.36 4.06 -1.87 -3.40 115.95 118.05 1o6x h TRP 40 Ca -0.36 -0.02 -0.71 0.00 2.06 0.00 0.00 58.89 59.86 1o6x h TRP 40 Cb 1.16 0.23 -0.20 0.00 -1.00 0.00 0.00 29.16 29.35 1o6x h TRP 40 CO 0.67 -0.43 -0.35 0.15 -3.56 0.00 0.00 178.44 174.92 1o6x s LYS 41 N -3.98 3.01 -0.83 0.49 1.02 -1.26 -4.94 119.74 113.25 1o6x s LYS 41 Ca -0.11 -0.95 -0.33 0.00 0.02 0.00 0.00 55.97 54.60 1o6x s LYS 41 Cb 0.01 -3.99 -0.19 0.00 -0.52 0.00 0.00 37.83 33.14 1o6x s LYS 41 CO 0.33 -0.81 2.56 -1.13 -0.92 0.00 0.00 175.35 175.38 1o6x n SER 42 N 5.32 0.69 0.00 2.83 3.41 -1.26 -4.43 113.62 120.17 1o6x n SER 42 Ca -0.10 0.19 0.09 0.00 -0.26 0.00 0.00 58.87 58.79 1o6x n SER 42 Cb 0.47 -1.01 0.51 0.00 -0.26 0.00 0.00 64.21 63.92 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 8.39 0.75 -0.31 4.33 -0.04 -1.26 -4.08 135.00 142.79 1o6x n PRO 43 Ca 0.60 0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 64.05 1o6x n PRO 43 Cb 0.09 -1.36 0.04 0.00 -0.04 0.00 0.00 33.50 32.23 1o6x n PRO 43 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 1o6x n THR 44 N -0.86 -0.42 -4.25 0.52 -1.04 -1.26 -4.38 114.28 102.60 1o6x n THR 44 Ca 0.13 1.86 -0.25 0.00 -2.04 0.00 0.00 64.05 63.75 1o6x n THR 44 Cb 0.06 -2.46 -0.08 0.00 -1.82 0.00 0.00 70.33 66.03 1o6x n THR 44 CO 0.00 0.00 0.00 0.42 -0.64 0.00 0.00 175.07 174.85 1o6x s THR 45 N -5.76 3.55 0.91 12.58 -4.23 -1.26 -4.97 115.64 116.47 1o6x s THR 45 Ca -0.11 -1.63 -0.12 0.00 -1.18 0.00 0.00 61.69 58.64 1o6x s THR 45 Cb 0.16 -2.82 0.14 0.00 1.34 0.00 0.00 72.50 71.32 1o6x s THR 45 CO 0.57 -0.21 1.14 -2.16 -0.54 0.00 0.00 174.62 173.42 1o6x s PRO 46 N -3.20 1.11 0.00 3.99 0.04 -1.26 -3.92 135.00 131.77 1o6x s PRO 46 Ca 0.28 0.28 0.00 0.00 0.04 0.00 0.00 61.00 61.60 1o6x s PRO 46 Cb -0.08 -1.84 0.00 0.00 0.04 0.00 0.00 34.50 32.62 1o6x s PRO 46 CO 0.19 -2.21 0.00 0.41 0.04 0.00 0.00 177.00 175.42 1o6x n GLY 47 N -2.22 3.04 3.34 0.56 0.00 -1.26 -4.97 105.19 103.67 1o6x n GLY 47 Ca 0.07 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.28 2.75 0.82 1.61 -1.05 -1.25 -5.04 118.70 116.25 1o6x s GLU 48 Ca 0.00 -1.21 -0.13 0.00 -0.15 0.00 0.00 54.97 53.48 1o6x s GLU 48 Cb 0.00 -3.74 0.08 0.00 -0.44 0.00 0.00 34.13 30.02 1o6x s GLU 48 CO 0.00 -0.79 1.13 0.25 0.95 0.00 0.00 175.26 176.80 1o6x n THR 49 N 4.97 1.85 -4.40 1.83 -2.24 -1.26 -4.66 114.28 110.37 1o6x n THR 49 Ca -0.11 -0.21 -0.27 0.00 -2.27 0.00 0.00 64.05 61.19 1o6x n THR 49 Cb 0.45 -1.14 -0.11 0.00 -2.10 0.00 0.00 70.33 67.43 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 -2.15 2.64 -0.35 6.98 0.00 -0.26 -4.41 121.76 124.22 1o6x s ALA 50 Ca 0.72 -1.63 0.03 0.00 0.00 0.00 0.00 51.96 51.07 1o6x s ALA 50 Cb -0.29 -0.40 0.15 0.00 0.00 0.00 0.00 23.12 22.58 1o6x s ALA 50 CO 0.52 0.42 0.38 -1.01 0.00 0.00 0.00 175.76 176.08 1o6x s HIS 51 N -1.76 -0.53 0.05 0.00 3.76 -1.25 -1.29 115.29 114.26 1o6x s HIS 51 Ca 0.22 -0.46 0.05 0.00 -0.15 0.00 0.00 55.06 54.72 1o6x s HIS 51 Cb -0.08 -0.33 -0.04 0.00 1.11 0.00 0.00 32.58 33.24 1o6x s HIS 51 CO 0.11 -0.98 -0.09 0.54 -0.85 0.00 0.00 174.74 173.48 1o6x s VAL 52 N 1.80 3.48 -0.91 -0.90 0.11 -1.24 -2.50 120.40 120.24 1o6x s VAL 52 Ca 0.14 -1.00 -0.20 0.00 -2.93 0.00 0.00 61.98 58.00 1o6x s VAL 52 Cb -0.14 -2.55 0.10 0.00 -1.53 0.00 0.00 36.38 32.26 1o6x s VAL 52 CO -0.13 0.28 1.18 -0.13 -3.33 0.00 0.00 175.10 172.96 1o6x s ARG 53 N -1.73 3.53 0.15 1.54 0.52 -1.26 -2.86 118.95 118.85 1o6x s ARG 53 Ca 0.19 -1.49 -0.18 0.00 -0.52 0.00 0.00 55.73 53.73 1o6x s ARG 53 Cb -0.11 -4.91 -0.07 0.00 0.52 0.00 0.00 34.95 30.37 1o6x s ARG 53 CO 0.10 -1.88 0.62 0.54 0.02 0.00 0.00 175.30 174.70 1o6x s VAL 54 N 3.38 4.72 0.16 3.52 0.11 0.83 -4.69 120.40 128.43 1o6x s VAL 54 Ca 0.34 1.10 -0.30 0.00 -2.93 0.00 0.00 61.98 60.19 1o6x s VAL 54 Cb -0.05 -3.83 -0.07 0.00 -1.53 0.00 0.00 36.38 30.90 1o6x s VAL 54 CO -0.07 0.31 1.13 -2.16 -3.33 0.00 0.00 175.10 170.98 1o6x s PRO 55 N -1.74 4.55 0.34 1.54 0.04 -1.26 0.66 135.00 139.13 1o6x s PRO 55 Ca 0.37 1.74 0.12 0.00 0.04 0.00 0.00 61.00 63.27 1o6x s PRO 55 Cb -0.17 -3.29 0.94 0.00 0.04 0.00 0.00 34.50 32.03 1o6x s PRO 55 CO 0.20 -0.00 1.74 0.35 0.04 0.00 0.00 177.00 179.33 1o6x h PHE 56 N 5.41 0.92 0.00 0.56 3.57 -1.70 2.23 116.94 127.93 1o6x h PHE 56 Ca -0.44 0.03 -0.01 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 39.69 1o6x h PHE 56 CO 0.63 0.07 -0.04 -0.24 -2.23 0.00 0.00 178.31 176.50 1o6x h VAL 57 N 0.54 0.15 -0.12 1.41 3.04 -1.91 -1.23 116.25 118.13 1o6x h VAL 57 Ca 0.63 -0.39 0.00 0.00 -1.01 0.00 0.00 66.70 65.93 1o6x h VAL 57 Cb 1.30 1.33 0.00 0.00 -2.01 0.00 0.00 31.29 31.91 1o6x h VAL 57 CO -0.43 0.04 0.00 -3.20 -1.01 0.00 0.00 177.57 172.97 1o6x n ASN 58 N -3.22 2.46 0.08 3.17 2.85 0.63 -4.56 115.26 116.67 1o6x n ASN 58 Ca -0.01 -2.24 -0.16 0.00 -0.11 0.00 0.00 54.58 52.06 1o6x n ASN 58 Cb 0.23 -0.17 -0.09 0.00 1.24 0.00 0.00 39.78 40.99 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 0.70 1.39 0.06 3.44 2.07 0.33 -2.87 116.25 121.38 1o6x h VAL 59 Ca 0.00 -2.57 -0.00 0.00 0.82 0.00 0.00 66.70 64.94 1o6x h VAL 59 Cb 0.71 2.59 0.00 0.00 -1.52 0.00 0.00 31.29 33.07 1o6x h VAL 59 CO 0.02 0.77 -0.03 -0.61 0.02 0.00 0.00 177.57 177.74 1o6x h GLN 60 N 0.22 -0.08 -1.26 1.57 5.75 -1.80 1.45 115.11 120.94 1o6x h GLN 60 Ca -0.12 0.01 0.41 0.00 -0.15 0.00 0.00 58.65 58.79 1o6x h GLN 60 Cb 1.74 0.02 -0.12 0.00 1.07 0.00 0.00 27.48 30.19 1o6x h GLN 60 CO 0.19 -0.05 0.81 0.00 -2.65 0.00 0.00 178.83 177.13 1o6x h ALA 61 N -1.94 2.63 0.00 3.38 0.00 -1.85 1.44 119.26 122.93 1o6x h ALA 61 Ca -0.01 0.11 -0.15 0.00 0.00 0.00 0.00 54.91 54.86 1o6x h ALA 61 Cb 0.06 0.18 0.01 0.00 0.00 0.00 0.00 17.79 18.05 1o6x h ALA 61 CO 0.01 -1.23 -0.60 0.28 0.00 0.00 0.00 179.25 177.72 1o6x h VAL 62 N 0.13 1.43 -0.35 0.00 2.07 -1.40 -1.83 116.25 116.31 1o6x h VAL 62 Ca 0.78 -2.09 0.07 0.00 0.82 0.00 0.00 66.70 66.28 1o6x h VAL 62 Cb 2.38 2.63 -0.02 0.00 -1.52 0.00 0.00 31.29 34.76 1o6x h VAL 62 CO -0.41 0.61 0.24 0.11 0.02 0.00 0.00 177.57 178.14 1o6x h LYS 63 N -0.13 0.17 0.05 1.57 1.79 1.20 0.40 116.57 121.62 1o6x h LYS 63 Ca -0.08 -0.01 -0.28 0.00 -2.18 0.00 0.00 60.65 58.11 1o6x h LYS 63 Cb 1.32 -0.04 0.02 0.00 -1.58 0.00 0.00 32.23 31.95 1o6x h LYS 63 CO 0.12 0.11 -1.12 0.28 -1.08 0.00 0.00 179.45 177.76 1o6x h VAL 64 N 0.17 1.29 0.42 0.50 2.07 0.12 -3.14 116.25 117.68 1o6x h VAL 64 Ca 0.16 -2.37 -0.02 0.00 0.82 0.00 0.00 66.70 65.30 1o6x h VAL 64 Cb 0.42 2.52 0.00 0.00 -1.52 0.00 0.00 31.29 32.71 1o6x h VAL 64 CO -0.02 0.72 -0.22 0.15 0.02 0.00 0.00 177.57 178.22 1o6x h PHE 65 N 0.33 -0.57 -0.35 1.57 3.57 -0.12 0.30 116.94 121.67 1o6x h PHE 65 Ca -0.15 -0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.39 1o6x h PHE 65 Cb 1.78 0.19 -0.08 0.00 2.79 0.00 0.00 35.95 40.63 1o6x h PHE 65 CO 0.10 -0.35 -0.50 -0.07 -2.23 0.00 0.00 178.31 175.26 1o6x h LEU 66 N -0.59 -1.66 -0.90 0.59 3.38 -1.12 0.73 115.31 115.74 1o6x h LEU 66 Ca -0.05 0.23 0.07 0.00 0.09 0.00 0.00 57.88 58.21 1o6x h LEU 66 Cb 0.46 0.69 -0.07 0.00 0.09 0.00 0.00 40.66 41.84 1o6x h LEU 66 CO 0.08 -0.41 0.56 -0.33 0.09 0.00 0.00 178.44 178.43 1o6x h GLU 67 N -0.41 0.97 -0.59 1.13 4.39 -1.48 -0.75 114.58 117.85 1o6x h GLU 67 Ca 0.09 -0.06 0.03 0.00 0.34 0.00 0.00 59.36 59.76 1o6x h GLU 67 Cb 0.61 -0.22 -0.04 0.00 -0.10 0.00 0.00 28.75 29.00 1o6x h GLU 67 CO -0.56 0.64 0.35 0.66 -1.16 0.00 0.00 179.01 178.95 1o6x h SER 68 N 1.00 0.56 0.00 1.42 4.64 0.24 0.19 113.55 121.60 1o6x h SER 68 Ca 0.40 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.73 1o6x h SER 68 Cb 0.22 -0.11 0.00 0.00 -0.31 0.00 0.00 62.40 62.20 1o6x h SER 68 CO -0.19 0.39 0.00 0.00 -0.87 0.00 0.00 176.83 176.16 1o6x n GLN 69 N -4.76 0.89 -3.85 4.77 10.64 0.22 -4.86 117.38 120.43 1o6x n GLN 69 Ca 0.05 0.00 -0.28 0.00 -1.83 0.00 0.00 57.00 54.95 1o6x n GLN 69 Cb 0.09 -1.22 0.03 0.00 -0.86 0.00 0.00 30.24 28.28 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 0.57 -0.45 4.00 2.61 0.00 0.67 -4.65 105.19 107.95 1o6x n GLY 70 Ca 0.10 0.18 -0.19 0.00 0.00 0.00 0.00 46.02 46.10 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 2.67 -0.19 -0.61 2.07 -0.41 -5.01 121.20 116.32 1o6x s ILE 71 Ca 0.50 -0.86 0.01 0.00 -1.41 0.00 0.00 60.65 58.89 1o6x s ILE 71 Cb -0.25 -2.81 0.03 0.00 0.13 0.00 0.00 42.46 39.56 1o6x s ILE 71 CO 0.82 0.00 -0.15 0.00 -1.91 0.00 0.00 174.94 173.70 1o6x s ALA 72 N -2.61 2.20 0.00 1.50 0.00 -1.26 -4.63 121.76 116.97 1o6x s ALA 72 Ca 0.58 -1.24 0.00 0.00 0.00 0.00 0.00 51.96 51.29 1o6x s ALA 72 Cb -0.09 -1.25 0.00 0.00 0.00 0.00 0.00 23.12 21.78 1o6x s ALA 72 CO 0.37 -0.60 0.00 2.48 0.00 0.00 0.00 175.76 178.00 1o6x n TYR 73 N 4.63 0.00 -3.88 0.00 4.11 -1.26 -0.01 117.16 120.76 1o6x n TYR 73 Ca -0.18 0.00 -0.01 0.00 -0.00 0.00 0.00 57.90 57.71 1o6x n TYR 73 Cb 0.48 0.00 0.01 0.00 -0.00 0.00 0.00 39.34 39.83 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 -0.63 -0.01 -0.20 9.48 0.15 0.23 -4.93 113.70 117.78 1o6x s SER 74 Ca 0.00 -0.48 -0.11 0.00 0.70 0.00 0.00 55.95 56.06 1o6x s SER 74 Cb 0.00 0.37 -0.05 0.00 -1.71 0.00 0.00 66.02 64.63 1o6x s SER 74 CO 0.00 -0.73 0.17 -0.63 1.20 0.00 0.00 173.24 173.24 1o6x s ILE 75 N -2.23 5.38 -0.08 6.45 1.09 -1.26 -0.66 121.20 129.88 1o6x s ILE 75 Ca 0.23 0.26 -0.06 0.00 -1.10 0.00 0.00 60.65 59.97 1o6x s ILE 75 Cb -0.01 -3.51 -0.02 0.00 -1.06 0.00 0.00 42.46 37.86 1o6x s ILE 75 CO 0.03 0.42 -0.13 0.80 -0.10 0.00 0.00 174.94 175.96 1o6x n MET 76 N 3.65 0.25 -3.71 2.79 1.56 -1.23 -4.80 117.12 115.63 1o6x n MET 76 Ca -0.15 0.30 -0.12 0.00 -0.27 0.00 0.00 57.70 57.46 1o6x n MET 76 Cb 0.52 -1.16 -0.12 0.00 2.15 0.00 0.00 33.22 34.60 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 -1.78 -0.04 0.00 1.12 1.10 -1.26 -5.05 121.20 115.28 1o6x s ILE 77 Ca -0.10 0.13 0.00 0.00 -0.51 0.00 0.00 60.65 60.17 1o6x s ILE 77 Cb 0.01 -0.46 0.00 0.00 0.15 0.00 0.00 42.46 42.16 1o6x s ILE 77 CO 0.15 0.05 0.00 -1.84 -2.11 0.00 0.00 174.94 171.20 1o6x n GLU 78 N 4.27 3.29 -3.26 3.50 0.00 -1.26 -2.73 120.64 124.44 1o6x n GLU 78 Ca -0.24 0.00 0.03 0.00 0.00 0.00 0.00 57.16 56.95 1o6x n GLU 78 Cb 0.54 0.00 -0.02 0.00 0.00 0.00 0.00 31.44 31.96 1o6x n GLU 78 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.13 177.47 1o6x s ASP 79 N -1.00 -1.20 -0.51 -1.84 -1.08 -1.26 -4.90 116.67 104.87 1o6x s ASP 79 Ca 0.00 0.95 -0.24 0.00 -0.52 0.00 0.00 52.55 52.73 1o6x s ASP 79 Cb 0.00 2.08 0.04 0.00 -1.46 0.00 0.00 42.92 43.58 1o6x s ASP 79 CO 0.00 -0.23 0.91 0.54 0.52 0.00 0.00 175.17 176.92 1o6x s VAL 80 N 2.86 4.45 -2.00 1.11 0.11 -1.26 -5.05 120.40 120.62 1o6x s VAL 80 Ca 0.12 0.41 0.05 0.00 -2.93 0.00 0.00 61.98 59.62 1o6x s VAL 80 Cb -0.13 -4.48 0.14 0.00 -1.53 0.00 0.00 36.38 30.37 1o6x s VAL 80 CO -0.19 -0.99 0.76 1.67 -3.33 0.00 0.00 175.10 173.02