#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 0.60 -0.25 2.12 3.52 -1.26 -5.18 118.95 118.50 1o6x s ARG 2 Ca 0.00 0.38 -0.31 0.00 -0.13 0.00 0.00 55.73 55.67 1o6x s ARG 2 Cb 0.00 0.29 0.17 0.00 -1.56 0.00 0.00 34.95 33.85 1o6x s ARG 2 CO 0.00 -0.14 1.28 -1.54 -0.81 0.00 0.00 175.30 174.09 1o6x s SER 3 N -0.48 -0.10 0.14 -2.12 1.04 -1.26 -5.19 113.70 105.73 1o6x s SER 3 Ca -0.00 0.09 -0.11 0.00 0.48 0.00 0.00 55.95 56.41 1o6x s SER 3 Cb -0.03 0.09 0.00 0.00 0.10 0.00 0.00 66.02 66.19 1o6x s SER 3 CO -0.01 -0.11 0.30 -0.22 0.98 0.00 0.00 173.24 174.18 1o6x s LEU 4 N -1.25 0.93 -0.31 2.42 2.96 -1.26 -5.14 118.68 117.04 1o6x s LEU 4 Ca 0.07 -0.67 -0.00 0.00 -0.22 0.00 0.00 54.13 53.31 1o6x s LEU 4 Cb -0.01 1.35 0.06 0.00 0.50 0.00 0.00 46.19 48.09 1o6x s LEU 4 CO -0.06 -0.85 0.01 -0.70 -1.32 0.00 0.00 176.35 173.44 1o6x s GLU 5 N -3.90 2.24 0.15 1.98 2.12 -1.26 -5.08 118.70 114.96 1o6x s GLU 5 Ca 0.10 -1.42 -0.16 0.00 0.36 0.00 0.00 54.97 53.85 1o6x s GLU 5 Cb 0.03 -3.18 0.03 0.00 0.26 0.00 0.00 34.13 31.27 1o6x s GLU 5 CO -0.06 -0.70 0.42 0.95 -0.54 0.00 0.00 175.26 175.33 1o6x s THR 6 N 1.17 0.06 -0.23 -1.70 -4.23 -1.26 -5.18 115.64 104.27 1o6x s THR 6 Ca -0.03 -0.72 -0.32 0.00 -1.18 0.00 0.00 61.69 59.45 1o6x s THR 6 Cb -0.20 -1.35 0.16 0.00 1.34 0.00 0.00 72.50 72.45 1o6x s THR 6 CO -0.03 -0.26 1.24 0.72 -0.54 0.00 0.00 174.62 175.75 1o6x s PHE 7 N -3.84 -0.13 0.15 3.99 -0.12 -1.26 -5.19 117.98 111.58 1o6x s PHE 7 Ca 0.06 0.17 -0.02 0.00 -0.05 0.00 0.00 56.93 57.09 1o6x s PHE 7 Cb 0.01 0.49 -0.03 0.00 -0.63 0.00 0.00 43.02 42.86 1o6x s PHE 7 CO -0.08 -0.15 0.11 0.08 -0.05 0.00 0.00 175.22 175.13 1o6x s VAL 8 N -1.55 0.08 0.00 -2.49 1.01 -1.26 -5.06 120.40 111.14 1o6x s VAL 8 Ca 0.07 -1.83 0.00 0.00 0.00 0.00 0.00 61.98 60.22 1o6x s VAL 8 Cb -0.01 -2.07 0.00 0.00 0.00 0.00 0.00 36.38 34.30 1o6x s VAL 8 CO -0.05 -0.38 0.00 0.61 0.00 0.00 0.00 175.10 175.29 1o6x n GLY 9 N -0.14 0.72 4.00 4.51 0.00 -1.26 -5.02 105.19 108.01 1o6x n GLY 9 Ca -0.05 -0.64 -0.23 0.00 0.00 0.00 0.00 46.02 45.10 1o6x n GLY 9 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1o6x s ASP 10 N -0.06 4.26 -0.28 1.61 1.47 -1.26 -2.27 116.67 120.14 1o6x s ASP 10 Ca 0.00 -0.50 -0.22 0.00 1.18 0.00 0.00 52.55 53.01 1o6x s ASP 10 Cb 0.00 0.20 0.13 0.00 -0.34 0.00 0.00 42.92 42.90 1o6x s ASP 10 CO 0.00 -1.93 1.00 -1.58 0.68 0.00 0.00 175.17 173.34 1o6x s GLN 11 N -5.15 0.48 0.53 2.11 0.74 0.20 -4.65 119.66 113.92 1o6x s GLN 11 Ca 0.67 0.64 -0.00 0.00 0.05 0.00 0.00 55.36 56.72 1o6x s GLN 11 Cb -0.04 0.19 0.02 0.00 1.10 0.00 0.00 33.01 34.28 1o6x s GLN 11 CO 0.45 -0.07 0.76 0.08 -0.55 0.00 0.00 175.29 175.96 1o6x s VAL 12 N 0.60 3.21 -0.13 1.34 1.01 -1.26 0.40 120.40 125.57 1o6x s VAL 12 Ca -0.01 -0.53 -0.19 0.00 0.00 0.00 0.00 61.98 61.26 1o6x s VAL 12 Cb -0.05 -3.21 0.05 0.00 0.00 0.00 0.00 36.38 33.17 1o6x s VAL 12 CO -0.09 -0.16 0.49 -1.48 0.00 0.00 0.00 175.10 173.85 1o6x s LEU 13 N -4.73 0.14 -0.25 3.92 0.05 -1.14 -3.49 118.68 113.18 1o6x s LEU 13 Ca 0.54 0.75 -0.12 0.00 0.05 0.00 0.00 54.13 55.35 1o6x s LEU 13 Cb -0.10 1.75 -0.05 0.00 -2.05 0.00 0.00 46.19 45.74 1o6x s LEU 13 CO 0.39 -0.31 0.24 -1.83 -0.55 0.00 0.00 176.35 174.30 1o6x s GLU 14 N -0.33 4.05 -0.02 1.48 -1.05 0.79 -3.56 118.70 120.05 1o6x s GLU 14 Ca -0.05 -0.15 0.03 0.00 -0.15 0.00 0.00 54.97 54.65 1o6x s GLU 14 Cb -0.03 -3.59 -0.03 0.00 -0.44 0.00 0.00 34.13 30.04 1o6x s GLU 14 CO 0.03 -0.07 -0.10 0.42 0.95 0.00 0.00 175.26 176.49 1o6x s ILE 15 N 1.45 3.42 -0.42 1.83 1.01 -0.35 0.74 121.20 128.88 1o6x s ILE 15 Ca 0.11 -0.74 0.03 0.00 0.00 0.00 0.00 60.65 60.05 1o6x s ILE 15 Cb -0.15 -2.43 0.12 0.00 0.01 0.00 0.00 42.46 40.01 1o6x s ILE 15 CO 0.08 0.48 0.16 -0.69 0.00 0.00 0.00 174.94 174.97 1o6x s VAL 16 N -0.88 2.22 0.53 2.92 1.01 -0.54 -0.96 120.40 124.70 1o6x s VAL 16 Ca 0.14 -2.71 -0.09 0.00 0.00 0.00 0.00 61.98 59.32 1o6x s VAL 16 Cb -0.11 -2.59 0.13 0.00 0.00 0.00 0.00 36.38 33.81 1o6x s VAL 16 CO 0.04 -0.72 0.58 -0.81 0.00 0.00 0.00 175.10 174.20 1o6x n PRO 17 N 3.74 -1.34 0.00 2.72 -0.04 -1.26 -4.40 135.00 134.43 1o6x n PRO 17 Ca 0.04 -0.92 0.00 0.00 -0.04 0.00 0.00 63.50 62.59 1o6x n PRO 17 Cb 0.37 -0.72 0.00 0.00 -0.04 0.00 0.00 33.50 33.11 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 -3.66 0.00 -4.90 3.54 2.88 -1.26 -4.52 113.62 105.70 1o6x n SER 18 Ca 0.08 0.00 -0.21 0.00 -1.33 0.00 0.00 58.87 57.40 1o6x n SER 18 Cb 0.28 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.73 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 -1.02 5.01 0.03 -3.46 0.01 -1.26 -4.83 114.94 109.42 1o6x s ASN 19 Ca 0.00 -0.82 -0.11 0.00 -0.71 0.00 0.00 52.86 51.22 1o6x s ASN 19 Cb 0.00 -0.33 -0.32 0.00 0.41 0.00 0.00 41.25 41.01 1o6x s ASN 19 CO 0.00 -0.80 0.97 -0.33 -1.51 0.00 0.00 177.10 175.43 1o6x h GLU 20 N 0.88 0.42 -0.51 -0.60 5.08 -1.98 -3.03 114.58 114.84 1o6x h GLU 20 Ca -0.39 -0.71 0.01 0.00 -1.00 0.00 0.00 59.36 57.27 1o6x h GLU 20 Cb 1.28 0.26 -0.03 0.00 0.50 0.00 0.00 28.75 30.76 1o6x h GLU 20 CO 0.55 1.33 0.33 1.49 -1.00 0.00 0.00 179.01 181.71 1o6x h GLU 21 N 0.11 0.65 -0.74 2.33 4.22 -1.96 1.42 114.58 120.61 1o6x h GLU 21 Ca -0.24 -0.04 -0.04 0.00 0.08 0.00 0.00 59.36 59.12 1o6x h GLU 21 Cb 2.09 -0.15 -0.03 0.00 0.50 0.00 0.00 28.75 31.16 1o6x h GLU 21 CO 0.23 0.43 0.30 1.96 -2.18 0.00 0.00 179.01 179.75 1o6x h GLN 22 N 0.67 1.11 -0.20 1.92 4.20 -1.87 -0.56 115.11 120.37 1o6x h GLN 22 Ca 0.19 -0.20 -0.18 0.00 0.06 0.00 0.00 58.65 58.52 1o6x h GLN 22 Cb -0.05 -0.18 0.00 0.00 0.30 0.00 0.00 27.48 27.55 1o6x h GLN 22 CO -0.05 0.90 -0.58 0.82 -0.67 0.00 0.00 178.83 179.24 1o6x h ILE 23 N 1.07 1.30 0.00 2.54 2.04 -1.27 -2.59 117.51 120.59 1o6x h ILE 23 Ca 0.25 -1.80 0.00 0.00 1.00 0.00 0.00 64.86 64.31 1o6x h ILE 23 Cb 0.20 1.86 0.00 0.00 -0.74 0.00 0.00 36.82 38.15 1o6x h ILE 23 CO -0.02 0.57 0.00 0.50 0.00 0.00 0.00 178.15 179.20 1o6x h LYS 24 N 0.48 0.00 -0.28 2.37 3.64 0.23 -1.36 116.57 121.65 1o6x h LYS 24 Ca -0.02 0.00 -0.15 0.00 -1.27 0.00 0.00 60.65 59.21 1o6x h LYS 24 Cb 1.20 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 33.02 1o6x h LYS 24 CO 0.13 0.00 -0.41 -0.97 -2.27 0.00 0.00 179.45 175.92 1o6x h ASN 25 N 0.00 0.84 -0.17 4.20 -0.73 -0.69 -2.25 115.58 116.78 1o6x h ASN 25 Ca 0.00 -0.51 -0.02 0.00 1.87 0.00 0.00 56.30 57.64 1o6x h ASN 25 Cb 0.17 -0.24 -0.01 0.00 0.27 0.00 0.00 38.32 38.51 1o6x h ASN 25 CO 0.00 1.19 0.03 -0.07 -0.37 0.00 0.00 177.43 178.21 1o6x h LEU 26 N 0.52 0.27 -0.23 0.34 3.38 -1.29 -1.33 115.31 116.98 1o6x h LEU 26 Ca 0.03 -0.25 0.06 0.00 0.09 0.00 0.00 57.88 57.81 1o6x h LEU 26 Cb 1.01 -0.07 -0.07 0.00 0.09 0.00 0.00 40.66 41.62 1o6x h LEU 26 CO 0.10 0.45 -0.28 -0.07 0.09 0.00 0.00 178.44 178.73 1o6x h LEU 27 N 0.08 -0.88 -1.27 1.67 3.38 -1.49 1.05 115.31 117.85 1o6x h LEU 27 Ca 0.05 0.15 0.09 0.00 0.09 0.00 0.00 57.88 58.26 1o6x h LEU 27 Cb 0.29 0.40 -0.06 0.00 0.09 0.00 0.00 40.66 41.38 1o6x h LEU 27 CO 0.00 -0.31 0.54 -0.61 0.09 0.00 0.00 178.44 178.16 1o6x h GLN 28 N -0.29 0.80 0.41 1.13 -0.00 -1.29 0.89 115.11 116.76 1o6x h GLN 28 Ca 0.13 -0.05 -0.02 0.00 -0.00 0.00 0.00 58.65 58.71 1o6x h GLN 28 Cb 0.50 -0.18 0.00 0.00 0.00 0.00 0.00 27.48 27.80 1o6x h GLN 28 CO -0.40 0.53 -0.20 1.25 0.00 0.00 0.00 178.83 180.02 1o6x h LEU 29 N 0.82 -0.46 -1.40 -2.39 5.85 0.41 -2.86 115.31 115.28 1o6x h LEU 29 Ca 0.38 0.02 0.18 0.00 0.84 0.00 0.00 57.88 59.30 1o6x h LEU 29 Cb 0.38 0.12 -0.07 0.00 0.37 0.00 0.00 40.66 41.46 1o6x h LEU 29 CO -0.15 -0.18 0.59 -0.08 -0.34 0.00 0.00 178.44 178.28 1o6x h GLU 30 N -0.85 0.50 -0.63 1.25 4.22 0.13 0.13 114.58 119.33 1o6x h GLU 30 Ca -0.06 -0.03 0.10 0.00 0.08 0.00 0.00 59.36 59.45 1o6x h GLU 30 Cb 0.42 -0.11 -0.07 0.00 0.50 0.00 0.00 28.75 29.48 1o6x h GLU 30 CO 0.09 0.33 0.24 0.00 -2.18 0.00 0.00 179.01 177.50 1o6x h ALA 31 N 1.61 0.82 -1.00 2.92 0.00 0.83 -3.38 119.26 121.07 1o6x h ALA 31 Ca 0.47 0.09 -0.38 0.00 0.00 0.00 0.00 54.91 55.09 1o6x h ALA 31 Cb 1.01 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.84 1o6x h ALA 31 CO -0.20 -0.18 1.39 1.04 0.00 0.00 0.00 179.25 181.29 1o6x n GLN 32 N -4.99 0.71 -0.62 0.00 1.13 0.45 -4.72 117.38 109.34 1o6x n GLN 32 Ca 0.09 -0.16 0.48 0.00 -1.94 0.00 0.00 57.00 55.47 1o6x n GLN 32 Cb 0.29 -3.02 0.75 0.00 0.11 0.00 0.00 30.24 28.36 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 8.69 -0.01 0.00 -1.09 -0.58 -1.26 0.23 120.64 126.62 1o6x n GLU 33 Ca 0.46 1.08 -0.11 0.00 -0.42 0.00 0.00 57.16 58.16 1o6x n GLU 33 Cb 0.41 -2.38 -0.05 0.00 -0.57 0.00 0.00 31.44 28.85 1o6x n GLU 33 CO 0.00 0.00 0.00 1.25 -0.48 0.00 0.00 177.13 177.90 1o6x h HIS 34 N 0.00 0.09 -1.95 -0.32 -0.00 -1.90 -2.75 115.15 108.32 1o6x h HIS 34 Ca 0.88 0.00 -0.74 0.00 -0.00 0.00 0.00 60.37 60.51 1o6x h HIS 34 Cb 3.36 -0.03 -0.30 0.00 -0.00 0.00 0.00 27.41 30.44 1o6x h HIS 34 CO -0.00 0.05 0.75 1.28 -0.00 0.00 0.00 177.93 180.01 1o6x n LEU 35 N -5.04 7.02 -3.32 0.26 4.77 0.62 -4.89 117.00 116.42 1o6x n LEU 35 Ca -0.05 -4.96 -0.27 0.00 -0.03 0.00 0.00 56.01 50.69 1o6x n LEU 35 Cb 0.04 -0.97 -0.04 0.00 -2.33 0.00 0.00 43.42 40.11 1o6x n LEU 35 CO 0.33 1.87 1.91 1.67 -1.33 0.00 0.00 177.39 181.83 1o6x n GLN 36 N -0.48 1.23 -1.38 3.23 0.00 -0.99 -4.15 117.38 114.84 1o6x n GLN 36 Ca 0.51 -1.33 -0.30 0.00 -0.00 0.00 0.00 57.00 55.88 1o6x n GLN 36 Cb 0.30 -2.51 0.12 0.00 0.00 0.00 0.00 30.24 28.15 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 0.39 2.37 -0.15 1.69 1.02 -1.26 -5.05 118.68 117.68 1o6x s LEU 37 Ca 0.41 1.36 0.02 0.00 0.02 0.00 0.00 54.13 55.94 1o6x s LEU 37 Cb 0.10 -3.85 0.01 0.00 0.02 0.00 0.00 46.19 42.47 1o6x s LEU 37 CO 0.07 -2.36 -0.20 -0.62 0.02 0.00 0.00 176.35 173.26 1o6x s ASP 38 N -3.67 3.27 -0.13 2.29 -1.08 -1.26 -4.92 116.67 111.17 1o6x s ASP 38 Ca 0.62 -0.57 -0.16 0.00 -0.52 0.00 0.00 52.55 51.92 1o6x s ASP 38 Cb -0.16 -1.48 -0.04 0.00 -1.46 0.00 0.00 42.92 39.77 1o6x s ASP 38 CO 0.56 0.07 0.41 -0.36 0.52 0.00 0.00 175.17 176.36 1o6x s PHE 39 N 0.87 3.51 -0.03 -5.34 0.08 -1.26 -3.69 117.98 112.13 1o6x s PHE 39 Ca -0.05 0.79 -0.23 0.00 0.12 0.00 0.00 56.93 57.56 1o6x s PHE 39 Cb -0.15 -2.46 -0.17 0.00 -0.57 0.00 0.00 43.02 39.67 1o6x s PHE 39 CO -0.03 0.23 1.06 -1.49 -0.10 0.00 0.00 175.22 174.89 1o6x h TRP 40 N 6.56 -0.22 -3.67 0.36 4.06 -1.58 -3.41 115.95 118.06 1o6x h TRP 40 Ca -0.42 -0.01 -0.68 0.00 2.06 0.00 0.00 58.89 59.84 1o6x h TRP 40 Cb 1.18 0.07 -0.31 0.00 -1.00 0.00 0.00 29.16 29.10 1o6x h TRP 40 CO 0.62 0.20 -0.67 0.21 -3.56 0.00 0.00 178.44 175.23 1o6x s LYS 41 N -3.97 2.66 -0.86 0.49 2.20 -1.26 -4.95 119.74 114.06 1o6x s LYS 41 Ca -0.14 -1.12 -0.33 0.00 -0.36 0.00 0.00 55.97 54.02 1o6x s LYS 41 Cb 0.01 -3.24 -0.20 0.00 -1.51 0.00 0.00 37.83 32.89 1o6x s LYS 41 CO 0.54 -0.56 2.57 -1.13 -0.36 0.00 0.00 175.35 176.41 1o6x n SER 42 N 4.72 0.59 0.00 1.43 3.41 -1.26 -4.53 113.62 117.97 1o6x n SER 42 Ca -0.14 0.22 0.12 0.00 -0.26 0.00 0.00 58.87 58.81 1o6x n SER 42 Cb 0.45 -0.98 0.70 0.00 -0.26 0.00 0.00 64.21 64.12 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 8.36 0.74 -0.61 4.33 -0.04 -1.26 -3.81 135.00 142.72 1o6x n PRO 43 Ca 0.61 0.00 0.49 0.00 -0.04 0.00 0.00 63.50 64.56 1o6x n PRO 43 Cb 0.07 -1.49 0.78 0.00 -0.04 0.00 0.00 33.50 32.81 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 0.00 0.07 -3.77 0.52 2.02 -1.89 -3.38 112.91 106.47 1o6x h THR 44 Ca 0.00 0.00 -0.43 0.00 0.77 0.00 0.00 66.41 66.75 1o6x h THR 44 Cb 0.00 0.07 -0.20 0.00 -1.74 0.00 0.00 68.15 66.28 1o6x h THR 44 CO 0.00 0.00 -0.78 0.42 0.37 0.00 0.00 175.52 175.53 1o6x s THR 45 N -4.84 1.28 0.08 3.16 -4.23 -1.25 -4.90 115.64 104.94 1o6x s THR 45 Ca -0.05 -1.53 -0.01 0.00 -1.18 0.00 0.00 61.69 58.92 1o6x s THR 45 Cb 0.25 -1.34 0.02 0.00 1.34 0.00 0.00 72.50 72.77 1o6x s THR 45 CO 0.85 -0.30 0.09 -0.81 -0.54 0.00 0.00 174.62 173.91 1o6x n PRO 46 N 0.91 -0.62 -0.98 3.99 -0.04 -1.26 -4.14 135.00 132.86 1o6x n PRO 46 Ca -0.18 -0.14 0.00 0.00 -0.04 0.00 0.00 63.50 63.14 1o6x n PRO 46 Cb 0.55 -0.11 0.00 0.00 -0.04 0.00 0.00 33.50 33.91 1o6x n PRO 46 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1o6x n GLY 47 N 3.19 0.13 2.74 0.55 0.00 -1.26 -4.90 105.19 105.64 1o6x n GLY 47 Ca 0.01 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.85 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 -1.46 0.27 0.83 1.61 2.02 -1.26 -5.12 118.70 115.59 1o6x s GLU 48 Ca 0.00 -0.06 -0.13 0.00 0.02 0.00 0.00 54.97 54.80 1o6x s GLU 48 Cb 0.00 -0.85 0.06 0.00 0.10 0.00 0.00 34.13 33.43 1o6x s GLU 48 CO 0.00 -0.91 0.92 0.25 0.02 0.00 0.00 175.26 175.54 1o6x n THR 49 N 5.31 1.37 -4.28 3.63 -2.24 -1.26 -4.71 114.28 112.10 1o6x n THR 49 Ca -0.03 -0.22 -0.24 0.00 -2.27 0.00 0.00 64.05 61.29 1o6x n THR 49 Cb 0.47 -0.98 -0.08 0.00 -2.10 0.00 0.00 70.33 67.64 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 -2.19 3.13 -0.33 6.98 0.00 -0.13 -4.58 121.76 124.64 1o6x s ALA 50 Ca 0.68 -1.58 0.02 0.00 0.00 0.00 0.00 51.96 51.09 1o6x s ALA 50 Cb -0.28 -0.81 0.15 0.00 0.00 0.00 0.00 23.12 22.19 1o6x s ALA 50 CO 0.56 0.33 0.39 -1.01 0.00 0.00 0.00 175.76 176.03 1o6x s HIS 51 N -2.13 -0.65 -0.02 0.00 3.76 -1.25 -1.21 115.29 113.79 1o6x s HIS 51 Ca 0.30 -0.26 0.03 0.00 -0.15 0.00 0.00 55.06 54.98 1o6x s HIS 51 Cb -0.07 -0.29 -0.03 0.00 1.11 0.00 0.00 32.58 33.30 1o6x s HIS 51 CO 0.19 -0.98 -0.11 0.54 -0.85 0.00 0.00 174.74 173.53 1o6x s VAL 52 N 2.00 3.36 -1.09 -0.90 0.11 -1.23 -1.31 120.40 121.34 1o6x s VAL 52 Ca 0.13 -0.76 -0.19 0.00 -2.93 0.00 0.00 61.98 58.23 1o6x s VAL 52 Cb -0.13 -2.40 0.10 0.00 -1.53 0.00 0.00 36.38 32.42 1o6x s VAL 52 CO -0.18 0.49 1.42 -0.13 -3.33 0.00 0.00 175.10 173.37 1o6x s ARG 53 N -1.09 3.77 0.25 1.54 0.52 -1.24 -2.90 118.95 119.79 1o6x s ARG 53 Ca 0.14 -1.74 -0.17 0.00 -0.52 0.00 0.00 55.73 53.44 1o6x s ARG 53 Cb -0.11 -5.23 -0.08 0.00 0.52 0.00 0.00 34.95 30.05 1o6x s ARG 53 CO 0.04 -2.03 0.70 0.54 0.02 0.00 0.00 175.30 174.58 1o6x s VAL 54 N 3.60 4.65 0.18 3.52 0.11 0.16 -4.67 120.40 127.96 1o6x s VAL 54 Ca 0.44 1.08 -0.30 0.00 -2.93 0.00 0.00 61.98 60.27 1o6x s VAL 54 Cb -0.01 -3.75 -0.08 0.00 -1.53 0.00 0.00 36.38 31.02 1o6x s VAL 54 CO -0.04 0.06 1.12 -2.16 -3.33 0.00 0.00 175.10 170.75 1o6x s PRO 55 N -2.36 4.58 0.34 1.54 0.04 -1.26 0.61 135.00 138.48 1o6x s PRO 55 Ca 0.47 1.75 0.11 0.00 0.04 0.00 0.00 61.00 63.36 1o6x s PRO 55 Cb -0.14 -3.27 0.91 0.00 0.04 0.00 0.00 34.50 32.04 1o6x s PRO 55 CO 0.20 0.05 1.76 0.35 0.04 0.00 0.00 177.00 179.39 1o6x h PHE 56 N 5.07 0.93 0.00 0.56 3.04 -1.72 2.11 116.94 126.93 1o6x h PHE 56 Ca -0.44 0.03 0.00 0.00 3.98 0.00 0.00 57.97 61.54 1o6x h PHE 56 Cb 1.21 -0.27 0.00 0.00 2.56 0.00 0.00 35.95 39.45 1o6x h PHE 56 CO 0.62 0.12 0.00 -0.24 -2.02 0.00 0.00 178.31 176.79 1o6x h VAL 57 N 0.58 0.00 -0.03 1.41 3.04 -1.92 -1.34 116.25 118.00 1o6x h VAL 57 Ca 0.61 -0.30 0.00 0.00 -1.01 0.00 0.00 66.70 66.00 1o6x h VAL 57 Cb 1.20 1.24 0.00 0.00 -2.01 0.00 0.00 31.29 31.72 1o6x h VAL 57 CO -0.39 0.00 0.00 -3.20 -1.01 0.00 0.00 177.57 172.97 1o6x n ASN 58 N -2.94 2.17 0.12 3.17 5.15 0.59 -4.58 115.26 118.95 1o6x n ASN 58 Ca -0.00 -2.26 -0.02 0.00 -0.60 0.00 0.00 54.58 51.70 1o6x n ASN 58 Cb 0.21 -0.12 0.09 0.00 -0.53 0.00 0.00 39.78 39.43 1o6x n ASN 58 CO 0.00 0.00 0.00 0.58 1.40 0.00 0.00 177.26 179.24 1o6x h VAL 59 N 0.17 1.38 0.15 3.44 2.07 0.34 -2.88 116.25 120.91 1o6x h VAL 59 Ca 0.00 -2.46 -0.01 0.00 0.82 0.00 0.00 66.70 65.05 1o6x h VAL 59 Cb 0.64 2.37 0.00 0.00 -1.52 0.00 0.00 31.29 32.78 1o6x h VAL 59 CO 0.00 0.68 -0.07 -0.61 0.02 0.00 0.00 177.57 177.59 1o6x h GLN 60 N 0.00 -0.20 -0.97 1.57 5.75 -1.81 -0.57 115.11 118.88 1o6x h GLN 60 Ca -0.01 0.01 0.25 0.00 -0.15 0.00 0.00 58.65 58.76 1o6x h GLN 60 Cb 1.31 0.04 -0.13 0.00 1.07 0.00 0.00 27.48 29.78 1o6x h GLN 60 CO 0.09 0.18 0.53 0.00 -2.65 0.00 0.00 178.83 176.98 1o6x h ALA 61 N -0.53 1.72 -0.23 3.38 0.00 -1.84 0.67 119.26 122.41 1o6x h ALA 61 Ca -0.02 0.15 -0.15 0.00 0.00 0.00 0.00 54.91 54.88 1o6x h ALA 61 Cb 0.47 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.34 1o6x h ALA 61 CO 0.03 -0.34 -0.46 0.28 0.00 0.00 0.00 179.25 178.77 1o6x h VAL 62 N 0.48 1.31 -0.09 0.00 2.07 -1.55 -0.79 116.25 117.68 1o6x h VAL 62 Ca 0.64 -1.67 0.03 0.00 0.82 0.00 0.00 66.70 66.52 1o6x h VAL 62 Cb 1.26 1.77 -0.00 0.00 -1.52 0.00 0.00 31.29 32.80 1o6x h VAL 62 CO -0.52 0.53 0.07 0.50 0.02 0.00 0.00 177.57 178.17 1o6x h LYS 63 N 0.45 0.00 0.21 1.57 3.64 0.18 0.30 116.57 122.91 1o6x h LYS 63 Ca 0.01 0.00 -0.32 0.00 -1.27 0.00 0.00 60.65 59.07 1o6x h LYS 63 Cb 1.06 0.00 0.02 0.00 -0.41 0.00 0.00 32.23 32.91 1o6x h LYS 63 CO 0.10 0.00 -1.45 0.28 -2.27 0.00 0.00 179.45 176.12 1o6x h VAL 64 N 0.00 1.30 -0.62 2.00 2.07 0.02 -3.05 116.25 117.97 1o6x h VAL 64 Ca 0.04 -2.79 0.00 0.00 0.82 0.00 0.00 66.70 64.77 1o6x h VAL 64 Cb 0.18 2.97 -0.03 0.00 -1.52 0.00 0.00 31.29 32.90 1o6x h VAL 64 CO -0.00 0.84 0.39 0.15 0.02 0.00 0.00 177.57 178.97 1o6x h PHE 65 N 0.12 0.81 0.89 1.57 3.57 0.41 0.41 116.94 124.71 1o6x h PHE 65 Ca -0.23 0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.23 1o6x h PHE 65 Cb 2.10 -0.27 0.01 0.00 2.79 0.00 0.00 35.95 40.58 1o6x h PHE 65 CO 0.10 0.53 -0.43 -0.07 -2.23 0.00 0.00 178.31 176.22 1o6x h LEU 66 N 0.84 -1.01 -1.85 0.59 3.38 -1.11 1.06 115.31 117.22 1o6x h LEU 66 Ca 0.23 0.03 0.13 0.00 0.09 0.00 0.00 57.88 58.36 1o6x h LEU 66 Cb -0.05 0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.93 1o6x h LEU 66 CO -0.04 -0.70 0.39 -0.33 0.09 0.00 0.00 178.44 177.84 1o6x h GLU 67 N -1.23 0.16 -0.08 1.13 4.39 -1.44 0.88 114.58 118.39 1o6x h GLU 67 Ca -0.12 -0.01 -0.22 0.00 0.34 0.00 0.00 59.36 59.35 1o6x h GLU 67 Cb 0.91 -0.04 0.01 0.00 -0.10 0.00 0.00 28.75 29.54 1o6x h GLU 67 CO 0.20 0.10 -0.82 0.66 -1.16 0.00 0.00 179.01 178.00 1o6x h SER 68 N 0.16 0.85 -0.02 1.42 4.64 0.27 -2.93 113.55 117.96 1o6x h SER 68 Ca 0.26 -0.68 0.00 0.00 -0.47 0.00 0.00 61.79 60.90 1o6x h SER 68 Cb 0.82 -0.26 0.00 0.00 -0.31 0.00 0.00 62.40 62.66 1o6x h SER 68 CO -0.04 1.41 0.00 0.00 -0.87 0.00 0.00 176.83 177.33 1o6x n GLN 69 N -3.98 1.05 -3.60 4.77 10.64 0.36 -4.88 117.38 121.75 1o6x n GLN 69 Ca -0.09 -0.08 -0.20 0.00 -1.83 0.00 0.00 57.00 54.80 1o6x n GLN 69 Cb 0.77 -1.13 0.05 0.00 -0.86 0.00 0.00 30.24 29.07 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 0.65 -0.39 3.79 2.61 0.00 0.08 -4.79 105.19 107.15 1o6x n GLY 70 Ca 0.06 0.16 -0.30 0.00 0.00 0.00 0.00 46.02 45.94 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 -3.56 1.43 -0.08 -0.61 2.07 -0.10 -5.01 121.20 115.34 1o6x s ILE 71 Ca 0.05 -1.84 0.00 0.00 -1.41 0.00 0.00 60.65 57.45 1o6x s ILE 71 Cb -0.01 -2.28 0.02 0.00 0.13 0.00 0.00 42.46 40.33 1o6x s ILE 71 CO 0.79 0.00 -0.06 0.00 -1.91 0.00 0.00 174.94 173.76 1o6x s ALA 72 N -2.82 1.00 0.00 1.50 0.00 -1.26 -4.47 121.76 115.72 1o6x s ALA 72 Ca 0.18 -0.30 0.00 0.00 0.00 0.00 0.00 51.96 51.84 1o6x s ALA 72 Cb 0.01 -0.70 0.00 0.00 0.00 0.00 0.00 23.12 22.43 1o6x s ALA 72 CO 0.10 -0.26 0.00 2.48 0.00 0.00 0.00 175.76 178.09 1o6x n TYR 73 N 4.62 0.00 -3.69 0.00 4.11 -1.26 -1.46 117.16 119.48 1o6x n TYR 73 Ca -0.15 0.00 -0.06 0.00 -0.00 0.00 0.00 57.90 57.69 1o6x n TYR 73 Cb 0.50 0.00 -0.02 0.00 -0.00 0.00 0.00 39.34 39.83 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 -0.26 -0.18 9.48 0.01 0.23 -4.94 113.70 117.15 1o6x s SER 74 Ca 0.00 -0.31 -0.11 0.00 1.31 0.00 0.00 55.95 56.85 1o6x s SER 74 Cb 0.00 0.50 -0.05 0.00 0.21 0.00 0.00 66.02 66.69 1o6x s SER 74 CO 0.00 -0.90 0.17 -0.63 0.41 0.00 0.00 173.24 172.29 1o6x s ILE 75 N -3.37 5.39 -0.00 1.44 1.01 -1.26 -0.15 121.20 124.27 1o6x s ILE 75 Ca 0.10 0.27 -0.00 0.00 0.00 0.00 0.00 60.65 61.02 1o6x s ILE 75 Cb -0.02 -3.50 -0.00 0.00 0.01 0.00 0.00 42.46 38.95 1o6x s ILE 75 CO -0.01 0.45 -0.00 0.80 0.00 0.00 0.00 174.94 176.18 1o6x n MET 76 N 3.35 0.00 -4.39 2.79 1.56 -1.23 -4.82 117.12 114.39 1o6x n MET 76 Ca -0.16 0.13 -0.24 0.00 -0.27 0.00 0.00 57.70 57.17 1o6x n MET 76 Cb 0.52 -0.63 -0.09 0.00 2.15 0.00 0.00 33.22 35.17 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 -1.00 2.89 0.00 1.12 1.10 -1.26 -5.07 121.20 118.98 1o6x s ILE 77 Ca -0.00 -2.13 0.00 0.00 -0.51 0.00 0.00 60.65 58.01 1o6x s ILE 77 Cb 0.00 -2.51 0.00 0.00 0.15 0.00 0.00 42.46 40.10 1o6x s ILE 77 CO 0.00 -0.34 0.00 1.21 -2.11 0.00 0.00 174.94 173.70 1o6x n GLU 78 N -0.58 2.69 -3.08 3.50 4.07 -1.26 -4.19 120.64 121.79 1o6x n GLU 78 Ca -0.07 0.00 -0.44 0.00 -0.06 0.00 0.00 57.16 56.59 1o6x n GLU 78 Cb 0.59 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.97 1o6x n GLU 78 CO 0.00 0.00 0.00 -0.40 -0.06 0.00 0.00 177.13 176.67 1o6x n ASP 79 N 0.00 5.56 -4.37 4.31 5.68 -1.26 -4.93 116.55 121.53 1o6x n ASP 79 Ca 0.00 -3.09 -0.51 0.00 -0.50 0.00 0.00 54.79 50.68 1o6x n ASP 79 Cb 0.00 -1.42 -0.12 0.00 -1.14 0.00 0.00 41.12 38.44 1o6x n ASP 79 CO 0.00 0.00 0.00 0.55 -1.33 0.00 0.00 177.20 176.42 1o6x n VAL 80 N 3.03 0.02 0.00 2.12 3.14 -1.26 -5.25 118.33 120.14 1o6x n VAL 80 Ca 0.29 -0.08 0.00 0.00 -2.96 0.00 0.00 64.34 61.59 1o6x n VAL 80 Cb 0.39 -0.79 0.00 0.00 -1.06 0.00 0.00 33.84 32.38 1o6x n VAL 80 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37