#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1o6x n ARG 2 N 0.00 0.00 -0.55 0.03 1.85 -1.26 -5.18 116.66 111.56 1o6x n ARG 2 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.85 1o6x n ARG 2 Cb 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.41 1o6x n ARG 2 CO 0.00 0.00 0.00 0.45 -0.01 0.00 0.00 177.63 178.07 1o6x n SER 3 N 0.00 0.00 0.00 2.89 2.88 -1.26 -5.15 113.62 112.98 1o6x n SER 3 Ca 0.00 -0.59 0.00 0.00 -1.33 0.00 0.00 58.87 56.95 1o6x n SER 3 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1o6x n SER 3 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1o6x n LEU 4 N 0.00 0.00 -4.68 2.46 -0.00 -1.26 -5.18 117.00 108.34 1o6x n LEU 4 Ca 0.00 0.00 -0.24 0.00 -0.00 0.00 0.00 56.01 55.77 1o6x n LEU 4 Cb 0.00 0.00 -0.08 0.00 -0.00 0.00 0.00 43.42 43.34 1o6x n LEU 4 CO 0.00 0.00 -0.24 -0.70 -0.00 0.00 0.00 177.39 176.45 1o6x s GLU 5 N 1.58 2.19 0.00 1.47 2.56 -1.26 -5.15 118.70 120.08 1o6x s GLU 5 Ca 0.00 -1.73 0.00 0.00 0.00 0.00 0.00 54.97 53.24 1o6x s GLU 5 Cb 0.00 -2.00 0.00 0.00 2.00 0.00 0.00 34.13 34.13 1o6x s GLU 5 CO 0.00 0.07 0.00 0.25 -0.56 0.00 0.00 175.26 175.02 1o6x n THR 6 N -1.07 0.00 -3.59 -1.70 -2.24 -1.26 -5.17 114.28 99.25 1o6x n THR 6 Ca -0.03 0.00 -0.07 0.00 -2.27 0.00 0.00 64.05 61.68 1o6x n THR 6 Cb 0.63 -0.24 -0.04 0.00 -2.10 0.00 0.00 70.33 68.58 1o6x n THR 6 CO 0.00 0.00 0.00 0.72 -0.57 0.00 0.00 175.07 175.22 1o6x s PHE 7 N -0.42 -0.22 0.00 4.78 -0.12 -1.26 -5.17 117.98 115.56 1o6x s PHE 7 Ca 0.00 0.31 0.00 0.00 -0.05 0.00 0.00 56.93 57.19 1o6x s PHE 7 Cb 0.00 0.49 0.00 0.00 -0.63 0.00 0.00 43.02 42.88 1o6x s PHE 7 CO 0.00 -0.25 0.00 1.55 -0.05 0.00 0.00 175.22 176.47 1o6x n VAL 8 N 0.38 0.00 0.00 -2.49 3.14 -1.26 -5.11 118.33 112.99 1o6x n VAL 8 Ca -0.05 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.33 1o6x n VAL 8 Cb 0.59 -0.05 0.00 0.00 -1.06 0.00 0.00 33.84 33.31 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 3.72 2.64 2.01 7.55 0.00 -1.26 -5.11 105.19 114.73 1o6x n GLY 9 Ca 0.00 -0.34 -0.19 0.00 0.00 0.00 0.00 46.02 45.49 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 -3.15 -3.64 1.61 5.75 -1.26 -3.67 116.55 112.19 1o6x n ASP 10 Ca 0.00 -0.60 -0.09 0.00 -0.01 0.00 0.00 54.79 54.10 1o6x n ASP 10 Cb 0.00 -0.62 -0.07 0.00 -1.03 0.00 0.00 41.12 39.40 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 -4.33 0.52 0.49 0.11 0.74 0.31 -4.63 119.66 112.87 1o6x s GLN 11 Ca 0.42 0.67 0.01 0.00 0.05 0.00 0.00 55.36 56.52 1o6x s GLN 11 Cb -0.07 0.23 0.01 0.00 1.10 0.00 0.00 33.01 34.28 1o6x s GLN 11 CO 0.35 -0.07 0.71 0.08 -0.55 0.00 0.00 175.29 175.81 1o6x s VAL 12 N 0.47 3.37 0.03 1.34 1.01 -1.26 0.18 120.40 125.55 1o6x s VAL 12 Ca 0.01 -0.60 -0.28 0.00 0.00 0.00 0.00 61.98 61.11 1o6x s VAL 12 Cb -0.05 -3.25 0.07 0.00 0.00 0.00 0.00 36.38 33.16 1o6x s VAL 12 CO -0.07 -0.17 0.66 -1.48 0.00 0.00 0.00 175.10 174.04 1o6x s LEU 13 N -4.63 -0.61 0.05 3.92 0.05 -1.13 -3.61 118.68 112.73 1o6x s LEU 13 Ca 0.52 0.40 -0.05 0.00 0.05 0.00 0.00 54.13 55.05 1o6x s LEU 13 Cb -0.10 2.53 -0.05 0.00 -2.05 0.00 0.00 46.19 46.52 1o6x s LEU 13 CO 0.38 -0.75 0.29 -0.70 -0.55 0.00 0.00 176.35 175.01 1o6x s GLU 14 N -2.28 3.56 -0.01 1.48 2.12 0.13 -3.44 118.70 120.27 1o6x s GLU 14 Ca -0.05 -0.15 0.01 0.00 0.36 0.00 0.00 54.97 55.14 1o6x s GLU 14 Cb -0.00 -3.01 0.00 0.00 0.26 0.00 0.00 34.13 31.37 1o6x s GLU 14 CO -0.00 0.59 -0.03 0.42 -0.54 0.00 0.00 175.26 175.70 1o6x s ILE 15 N -1.43 0.30 -0.40 -3.70 1.01 -0.29 0.55 121.20 117.24 1o6x s ILE 15 Ca 0.32 -0.14 0.01 0.00 0.00 0.00 0.00 60.65 60.85 1o6x s ILE 15 Cb -0.13 -0.27 0.13 0.00 0.01 0.00 0.00 42.46 42.20 1o6x s ILE 15 CO 0.21 0.10 0.20 -0.69 0.00 0.00 0.00 174.94 174.75 1o6x s VAL 16 N 0.06 1.18 0.94 2.92 1.01 0.58 -1.09 120.40 126.00 1o6x s VAL 16 Ca -0.00 -2.20 -0.16 0.00 0.00 0.00 0.00 61.98 59.62 1o6x s VAL 16 Cb -0.03 -1.85 0.22 0.00 0.00 0.00 0.00 36.38 34.73 1o6x s VAL 16 CO -0.00 -0.84 1.04 -0.81 0.00 0.00 0.00 175.10 174.48 1o6x n PRO 17 N 3.92 -1.94 0.00 2.72 -0.04 -1.26 -4.13 135.00 134.26 1o6x n PRO 17 Ca 0.06 -1.63 0.00 0.00 -0.04 0.00 0.00 63.50 61.90 1o6x n PRO 17 Cb 0.37 -1.28 0.00 0.00 -0.04 0.00 0.00 33.50 32.55 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 -4.15 0.00 -3.39 3.54 2.88 -1.26 -4.28 113.62 106.96 1o6x n SER 18 Ca 0.14 0.00 -0.12 0.00 -1.33 0.00 0.00 58.87 57.56 1o6x n SER 18 Cb 0.50 0.16 0.01 0.00 -0.75 0.00 0.00 64.21 64.12 1o6x n SER 18 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 1o6x n ASN 19 N -2.06 1.63 0.02 -3.46 3.02 -1.26 -4.75 115.26 108.39 1o6x n ASN 19 Ca 0.00 -1.87 -0.21 0.00 -0.03 0.00 0.00 54.58 52.47 1o6x n ASN 19 Cb 0.00 -0.07 -0.14 0.00 -0.61 0.00 0.00 39.78 38.96 1o6x n ASN 19 CO 0.00 0.00 0.00 -0.33 -2.62 0.00 0.00 177.26 174.31 1o6x h GLU 20 N 0.00 0.26 -0.46 3.52 3.07 -1.99 -3.28 114.58 115.69 1o6x h GLU 20 Ca -0.16 -0.44 0.09 0.00 -0.50 0.00 0.00 59.36 58.35 1o6x h GLU 20 Cb 0.61 0.16 -0.10 0.00 -0.84 0.00 0.00 28.75 28.59 1o6x h GLU 20 CO 0.24 1.21 -0.29 1.49 -1.40 0.00 0.00 179.01 180.26 1o6x h GLU 21 N -0.34 -0.19 -0.75 2.33 4.57 -1.97 1.52 114.58 119.76 1o6x h GLU 21 Ca -0.25 0.01 0.12 0.00 -1.18 0.00 0.00 59.36 58.06 1o6x h GLU 21 Cb 1.71 0.04 -0.08 0.00 -0.16 0.00 0.00 28.75 30.26 1o6x h GLU 21 CO 0.08 -0.12 0.35 1.96 -1.18 0.00 0.00 179.01 180.10 1o6x h GLN 22 N -0.19 0.54 -0.37 1.92 4.20 -1.85 0.22 115.11 119.56 1o6x h GLN 22 Ca 0.20 -0.03 -0.13 0.00 0.06 0.00 0.00 58.65 58.75 1o6x h GLN 22 Cb 0.52 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 28.17 1o6x h GLN 22 CO -0.57 0.36 -0.26 0.82 -0.67 0.00 0.00 178.83 178.51 1o6x h ILE 23 N 0.56 1.28 0.00 2.54 2.04 -0.82 -2.07 117.51 121.04 1o6x h ILE 23 Ca 0.39 -1.41 0.00 0.00 1.00 0.00 0.00 64.86 64.84 1o6x h ILE 23 Cb 0.50 1.37 0.00 0.00 -0.74 0.00 0.00 36.82 37.95 1o6x h ILE 23 CO -0.33 0.47 0.00 1.17 0.00 0.00 0.00 178.15 179.46 1o6x n LYS 24 N -4.20 0.17 0.15 2.37 4.81 0.49 -2.34 118.16 119.62 1o6x n LYS 24 Ca -0.02 0.56 -0.09 0.00 -0.87 0.00 0.00 58.31 57.89 1o6x n LYS 24 Cb 0.46 -1.95 -0.05 0.00 0.02 0.00 0.00 35.03 33.52 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 -0.39 -0.22 3.14 -0.73 0.08 -2.62 115.58 114.85 1o6x h ASN 25 Ca 0.00 -0.09 0.03 0.00 1.87 0.00 0.00 56.30 58.11 1o6x h ASN 25 Cb 0.15 0.10 -0.06 0.00 0.27 0.00 0.00 38.32 38.78 1o6x h ASN 25 CO 0.00 0.07 -0.47 0.25 -0.37 0.00 0.00 177.43 176.91 1o6x h LEU 26 N -1.05 -1.54 -0.89 0.34 5.85 -1.42 0.16 115.31 116.76 1o6x h LEU 26 Ca -0.05 0.19 0.14 0.00 0.84 0.00 0.00 57.88 59.01 1o6x h LEU 26 Cb 0.45 0.61 -0.15 0.00 0.37 0.00 0.00 40.66 41.95 1o6x h LEU 26 CO 0.08 -0.39 -0.36 -0.07 -0.34 0.00 0.00 178.44 177.36 1o6x h LEU 27 N -0.43 -1.31 -1.13 2.25 3.38 -1.64 1.66 115.31 118.09 1o6x h LEU 27 Ca 0.04 0.29 0.14 0.00 0.09 0.00 0.00 57.88 58.43 1o6x h LEU 27 Cb 0.55 0.69 -0.08 0.00 0.09 0.00 0.00 40.66 41.92 1o6x h LEU 27 CO -0.43 -0.29 0.61 -0.61 0.09 0.00 0.00 178.44 177.80 1o6x h GLN 28 N -0.04 0.82 0.41 1.13 -0.00 -0.67 0.80 115.11 117.56 1o6x h GLN 28 Ca 0.33 -0.05 -0.02 0.00 -0.00 0.00 0.00 58.65 58.91 1o6x h GLN 28 Cb 0.59 -0.19 0.00 0.00 0.00 0.00 0.00 27.48 27.89 1o6x h GLN 28 CO -0.91 0.54 -0.19 1.25 0.00 0.00 0.00 178.83 179.52 1o6x h LEU 29 N 0.85 -0.46 -2.14 -2.39 5.85 0.49 -2.76 115.31 114.75 1o6x h LEU 29 Ca 0.48 0.02 0.02 0.00 0.84 0.00 0.00 57.88 59.24 1o6x h LEU 29 Cb 0.62 0.12 -0.00 0.00 0.37 0.00 0.00 40.66 41.77 1o6x h LEU 29 CO -0.25 -0.21 0.30 -0.08 -0.34 0.00 0.00 178.44 177.86 1o6x h GLU 30 N -0.79 0.00 -0.44 1.25 4.81 0.30 0.40 114.58 120.11 1o6x h GLU 30 Ca -0.06 0.00 -0.13 0.00 -0.13 0.00 0.00 59.36 59.05 1o6x h GLU 30 Cb 0.42 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.78 1o6x h GLU 30 CO 0.09 0.00 -0.23 0.00 -0.73 0.00 0.00 179.01 178.14 1o6x h ALA 31 N 1.48 0.75 -0.71 2.92 0.00 0.81 -3.41 119.26 121.09 1o6x h ALA 31 Ca 0.04 -0.39 -0.28 0.00 0.00 0.00 0.00 54.91 54.28 1o6x h ALA 31 Cb 0.63 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 1o6x h ALA 31 CO -0.00 0.66 1.09 1.04 0.00 0.00 0.00 179.25 182.04 1o6x n GLN 32 N -4.11 0.59 -1.54 0.00 1.13 0.14 -4.76 117.38 108.84 1o6x n GLN 32 Ca -0.00 -0.33 -0.17 0.00 -1.94 0.00 0.00 57.00 54.56 1o6x n GLN 32 Cb 0.46 -2.98 -0.13 0.00 0.11 0.00 0.00 30.24 27.69 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 8.41 0.35 0.03 -1.09 2.13 -1.26 -2.90 120.64 126.31 1o6x n GLU 33 Ca 0.49 -0.52 0.00 0.00 0.66 0.00 0.00 57.16 57.79 1o6x n GLU 33 Cb 0.38 -2.65 0.00 0.00 0.27 0.00 0.00 31.44 29.44 1o6x n GLU 33 CO 0.00 0.00 0.00 0.72 -0.41 0.00 0.00 177.13 177.44 1o6x n HIS 34 N 13.63 -2.14 0.22 4.31 8.25 -1.26 -4.99 115.22 133.24 1o6x n HIS 34 Ca 0.55 0.21 -0.12 0.00 -0.26 0.00 0.00 57.72 58.10 1o6x n HIS 34 Cb 0.32 0.83 -0.07 0.00 1.12 0.00 0.00 29.99 32.19 1o6x n HIS 34 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1o6x h LEU 35 N 0.00 -0.50 -2.36 2.41 3.38 -1.86 -3.48 115.31 112.90 1o6x h LEU 35 Ca 0.00 -0.09 -0.19 0.00 0.09 0.00 0.00 57.88 57.69 1o6x h LEU 35 Cb 0.00 0.13 0.13 0.00 0.09 0.00 0.00 40.66 41.01 1o6x h LEU 35 CO 0.00 -0.09 -0.57 0.00 0.09 0.00 0.00 178.44 177.86 1o6x n GLN 36 N -5.20 -2.48 -3.21 1.13 6.02 -1.26 -5.01 117.38 107.37 1o6x n GLN 36 Ca -0.09 0.60 -0.33 0.00 -0.01 0.00 0.00 57.00 57.16 1o6x n GLN 36 Cb 0.29 -4.60 -0.06 0.00 1.02 0.00 0.00 30.24 26.89 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 -4.76 4.17 -0.16 1.08 1.02 -1.26 -5.07 118.68 113.69 1o6x s LEU 37 Ca 0.22 1.21 -0.00 0.00 0.02 0.00 0.00 54.13 55.58 1o6x s LEU 37 Cb -0.03 -3.82 -0.00 0.00 0.02 0.00 0.00 46.19 42.36 1o6x s LEU 37 CO 0.51 -0.10 -0.13 -1.81 0.02 0.00 0.00 176.35 174.83 1o6x s ASP 38 N -2.11 3.79 -0.17 2.29 1.11 -1.26 -4.94 116.67 115.37 1o6x s ASP 38 Ca 0.49 -0.44 -0.25 0.00 0.18 0.00 0.00 52.55 52.52 1o6x s ASP 38 Cb -0.12 -1.60 -0.01 0.00 1.07 0.00 0.00 42.92 42.26 1o6x s ASP 38 CO 0.19 0.07 0.82 -0.36 1.18 0.00 0.00 175.17 177.08 1o6x s PHE 39 N 0.88 3.41 0.02 4.23 0.08 -1.26 -4.06 117.98 121.28 1o6x s PHE 39 Ca -0.04 1.24 -0.20 0.00 0.12 0.00 0.00 56.93 58.05 1o6x s PHE 39 Cb -0.15 -3.01 -0.19 0.00 -0.57 0.00 0.00 43.02 39.11 1o6x s PHE 39 CO -0.01 -0.25 1.20 -1.49 -0.10 0.00 0.00 175.22 174.58 1o6x h TRP 40 N 7.36 0.51 -3.57 0.36 4.06 -1.91 -3.40 115.95 119.35 1o6x h TRP 40 Ca -0.29 -0.22 -0.68 0.00 2.06 0.00 0.00 58.89 59.76 1o6x h TRP 40 Cb 1.13 -0.08 -0.37 0.00 -1.00 0.00 0.00 29.16 28.84 1o6x h TRP 40 CO 0.72 0.96 -0.62 0.15 -3.56 0.00 0.00 178.44 176.09 1o6x s LYS 41 N -3.69 1.79 -0.94 0.49 1.02 -1.26 -4.95 119.74 112.21 1o6x s LYS 41 Ca -0.14 -1.87 -0.28 0.00 0.02 0.00 0.00 55.97 53.71 1o6x s LYS 41 Cb 0.04 -3.43 -0.21 0.00 -0.52 0.00 0.00 37.83 33.71 1o6x s LYS 41 CO 0.78 -1.02 2.50 -1.13 -0.92 0.00 0.00 175.35 175.56 1o6x n SER 42 N 4.41 0.16 0.00 2.83 3.41 -1.26 -4.43 113.62 118.74 1o6x n SER 42 Ca 0.01 0.12 0.11 0.00 -0.26 0.00 0.00 58.87 58.85 1o6x n SER 42 Cb 0.41 -0.84 0.67 0.00 -0.26 0.00 0.00 64.21 64.20 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 7.78 0.75 -0.66 4.33 -0.04 -1.26 -3.89 135.00 142.01 1o6x n PRO 43 Ca 0.62 0.00 0.49 0.00 -0.04 0.00 0.00 63.50 64.57 1o6x n PRO 43 Cb 0.04 -1.47 0.76 0.00 -0.04 0.00 0.00 33.50 32.79 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 -0.97 -0.01 -4.35 0.52 -1.04 -1.26 -4.24 114.28 102.93 1o6x n THR 44 Ca 0.17 1.39 -0.22 0.00 -2.04 0.00 0.00 64.05 63.35 1o6x n THR 44 Cb 0.08 -2.32 -0.11 0.00 -1.82 0.00 0.00 70.33 66.16 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 -4.73 1.91 0.00 12.58 -4.23 -1.25 -4.95 115.64 114.97 1o6x s THR 45 Ca -0.05 -1.95 0.00 0.00 -1.18 0.00 0.00 61.69 58.51 1o6x s THR 45 Cb 0.25 -1.90 0.00 0.00 1.34 0.00 0.00 72.50 72.19 1o6x s THR 45 CO 0.83 -0.29 0.00 -0.81 -0.54 0.00 0.00 174.62 173.80 1o6x n PRO 46 N 0.25 -0.38 -1.37 3.99 -0.04 -1.26 -4.07 135.00 132.12 1o6x n PRO 46 Ca -0.13 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.20 1o6x n PRO 46 Cb 0.57 0.00 -0.06 0.00 -0.04 0.00 0.00 33.50 33.97 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 3.76 1.22 2.71 0.55 0.00 -1.26 -4.89 105.19 107.28 1o6x n GLY 47 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.81 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 -3.08 0.13 0.36 1.61 0.41 -1.26 -5.12 118.70 111.76 1o6x s GLU 48 Ca 0.00 0.28 -0.26 0.00 -0.41 0.00 0.00 54.97 54.59 1o6x s GLU 48 Cb 0.00 -0.63 -0.09 0.00 -1.78 0.00 0.00 34.13 31.63 1o6x s GLU 48 CO 0.00 -0.31 1.04 0.95 -0.49 0.00 0.00 175.26 176.46 1o6x s THR 49 N 2.03 3.74 0.17 3.63 -4.23 -1.26 -4.48 115.64 115.25 1o6x s THR 49 Ca 0.04 1.44 0.09 0.00 -1.18 0.00 0.00 61.69 62.08 1o6x s THR 49 Cb -0.12 -3.80 -0.04 0.00 1.34 0.00 0.00 72.50 69.88 1o6x s THR 49 CO -0.04 0.11 -0.14 0.00 -0.54 0.00 0.00 174.62 174.02 1o6x s ALA 50 N -1.53 2.82 -0.32 3.99 0.00 -0.25 -4.51 121.76 121.96 1o6x s ALA 50 Ca 0.53 -1.49 0.02 0.00 0.00 0.00 0.00 51.96 51.03 1o6x s ALA 50 Cb -0.24 -0.64 0.16 0.00 0.00 0.00 0.00 23.12 22.40 1o6x s ALA 50 CO 0.30 0.48 0.39 -1.01 0.00 0.00 0.00 175.76 175.92 1o6x s HIS 51 N -1.62 -0.77 0.06 0.00 3.76 -1.25 -1.13 115.29 114.33 1o6x s HIS 51 Ca 0.23 -0.07 0.07 0.00 -0.15 0.00 0.00 55.06 55.14 1o6x s HIS 51 Cb -0.09 -0.25 -0.04 0.00 1.11 0.00 0.00 32.58 33.32 1o6x s HIS 51 CO 0.13 -0.98 -0.14 0.54 -0.85 0.00 0.00 174.74 173.44 1o6x s VAL 52 N 2.18 3.13 -1.10 -0.90 0.11 -1.22 -2.79 120.40 119.80 1o6x s VAL 52 Ca 0.12 -1.17 -0.20 0.00 -2.93 0.00 0.00 61.98 57.80 1o6x s VAL 52 Cb -0.13 -2.38 0.09 0.00 -1.53 0.00 0.00 36.38 32.43 1o6x s VAL 52 CO -0.23 0.25 1.46 -0.13 -3.33 0.00 0.00 175.10 173.12 1o6x s ARG 53 N -1.74 3.77 0.28 1.54 0.52 -1.26 -2.85 118.95 119.20 1o6x s ARG 53 Ca 0.17 -1.69 -0.24 0.00 -0.52 0.00 0.00 55.73 53.45 1o6x s ARG 53 Cb -0.11 -5.27 -0.09 0.00 0.52 0.00 0.00 34.95 30.00 1o6x s ARG 53 CO 0.09 -2.07 0.87 0.08 0.02 0.00 0.00 175.30 174.29 1o6x s VAL 54 N 3.83 4.31 0.17 3.52 1.01 0.48 -4.59 120.40 129.13 1o6x s VAL 54 Ca 0.45 1.68 -0.30 0.00 0.00 0.00 0.00 61.98 63.81 1o6x s VAL 54 Cb -0.00 -4.00 -0.07 0.00 0.00 0.00 0.00 36.38 32.30 1o6x s VAL 54 CO -0.04 0.21 1.12 -2.16 0.00 0.00 0.00 175.10 174.23 1o6x s PRO 55 N -1.91 4.56 0.35 2.72 0.04 -1.26 0.11 135.00 139.63 1o6x s PRO 55 Ca 0.46 1.74 0.14 0.00 0.04 0.00 0.00 61.00 63.38 1o6x s PRO 55 Cb -0.19 -3.28 0.99 0.00 0.04 0.00 0.00 34.50 32.06 1o6x s PRO 55 CO 0.24 0.02 1.75 0.35 0.04 0.00 0.00 177.00 179.39 1o6x h PHE 56 N 5.27 0.86 0.00 0.56 3.57 -1.82 2.42 116.94 127.80 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 39.71 1o6x h PHE 56 CO 0.63 0.06 -0.01 -0.24 -2.23 0.00 0.00 178.31 176.51 1o6x h VAL 57 N 0.50 0.08 0.00 1.41 3.04 -1.91 -1.59 116.25 117.78 1o6x h VAL 57 Ca 0.63 -0.24 0.00 0.00 -1.01 0.00 0.00 66.70 66.07 1o6x h VAL 57 Cb 1.36 1.22 0.00 0.00 -2.01 0.00 0.00 31.29 31.86 1o6x h VAL 57 CO -0.40 0.01 -1.53 -3.20 -1.01 0.00 0.00 177.57 171.45 1o6x n ASN 58 N -3.17 1.78 -0.26 3.17 5.15 0.64 -4.53 115.26 118.04 1o6x n ASN 58 Ca -0.02 -0.07 0.02 0.00 -0.60 0.00 0.00 54.58 53.91 1o6x n ASN 58 Cb 0.17 1.56 0.09 0.00 -0.53 0.00 0.00 39.78 41.08 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 0.00 0.26 0.07 3.44 2.07 0.42 1.35 116.25 123.86 1o6x h VAL 59 Ca 0.00 -0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.51 1o6x h VAL 59 Cb 0.59 0.26 0.00 0.00 -1.52 0.00 0.00 31.29 30.62 1o6x h VAL 59 CO 0.00 0.00 -0.03 -0.61 0.02 0.00 0.00 177.57 176.95 1o6x h GLN 60 N 0.01 -0.09 -1.37 1.57 5.75 -1.79 1.46 115.11 120.64 1o6x h GLN 60 Ca 0.36 0.01 0.40 0.00 -0.15 0.00 0.00 58.65 59.27 1o6x h GLN 60 Cb 0.56 0.02 -0.07 0.00 1.07 0.00 0.00 27.48 29.06 1o6x h GLN 60 CO -0.76 -0.06 0.97 0.00 -2.65 0.00 0.00 178.83 176.33 1o6x h ALA 61 N -1.94 3.16 0.02 3.38 0.00 -1.66 1.43 119.26 123.64 1o6x h ALA 61 Ca -0.01 -0.02 -0.20 0.00 0.00 0.00 0.00 54.91 54.68 1o6x h ALA 61 Cb 0.07 0.11 0.02 0.00 0.00 0.00 0.00 17.79 17.99 1o6x h ALA 61 CO 0.01 -1.59 -0.79 0.28 0.00 0.00 0.00 179.25 177.16 1o6x h VAL 62 N 0.05 1.38 -0.35 0.00 2.07 0.22 -1.50 116.25 118.13 1o6x h VAL 62 Ca 0.69 -2.19 0.02 0.00 0.82 0.00 0.00 66.70 66.04 1o6x h VAL 62 Cb 2.57 2.59 -0.02 0.00 -1.52 0.00 0.00 31.29 34.91 1o6x h VAL 62 CO -0.09 0.65 0.23 0.11 0.02 0.00 0.00 177.57 178.50 1o6x h LYS 63 N 0.05 0.37 0.04 1.57 1.57 1.24 0.13 116.57 121.54 1o6x h LYS 63 Ca -0.10 -0.02 -0.22 0.00 -1.87 0.00 0.00 60.65 58.43 1o6x h LYS 63 Cb 1.49 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 33.71 1o6x h LYS 63 CO 0.16 0.25 -1.02 0.28 -0.57 0.00 0.00 179.45 178.54 1o6x h VAL 64 N 0.38 1.55 0.46 0.50 2.07 -0.64 -3.15 116.25 117.43 1o6x h VAL 64 Ca 0.14 -2.94 -0.02 0.00 0.82 0.00 0.00 66.70 64.70 1o6x h VAL 64 Cb 0.09 2.70 0.00 0.00 -1.52 0.00 0.00 31.29 32.56 1o6x h VAL 64 CO -0.03 0.85 -0.22 0.15 0.02 0.00 0.00 177.57 178.34 1o6x h PHE 65 N 0.07 -0.57 -0.50 1.57 3.57 0.09 0.32 116.94 121.50 1o6x h PHE 65 Ca -0.06 -0.01 0.09 0.00 3.53 0.00 0.00 57.97 61.51 1o6x h PHE 65 Cb 1.71 0.19 -0.10 0.00 2.79 0.00 0.00 35.95 40.54 1o6x h PHE 65 CO 0.03 -0.25 -0.37 -0.07 -2.23 0.00 0.00 178.31 175.43 1o6x h LEU 66 N -0.90 -1.26 -0.42 0.59 3.38 -0.96 0.44 115.31 116.18 1o6x h LEU 66 Ca -0.06 0.22 0.05 0.00 0.09 0.00 0.00 57.88 58.17 1o6x h LEU 66 Cb 0.58 0.59 -0.04 0.00 0.09 0.00 0.00 40.66 41.87 1o6x h LEU 66 CO 0.10 -0.33 0.17 -0.33 0.09 0.00 0.00 178.44 178.15 1o6x h GLU 67 N -0.23 0.35 -0.75 1.13 4.39 -1.55 -0.06 114.58 117.86 1o6x h GLU 67 Ca 0.19 -0.02 0.11 0.00 0.34 0.00 0.00 59.36 59.98 1o6x h GLU 67 Cb 0.56 -0.08 -0.08 0.00 -0.10 0.00 0.00 28.75 29.05 1o6x h GLU 67 CO -0.62 0.23 0.36 0.66 -1.16 0.00 0.00 179.01 178.48 1o6x h SER 68 N 0.36 0.45 -0.02 1.42 4.64 0.14 0.77 113.55 121.31 1o6x h SER 68 Ca 0.19 0.07 0.00 0.00 -0.47 0.00 0.00 61.79 61.58 1o6x h SER 68 Cb 0.15 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.24 1o6x h SER 68 CO -0.17 0.24 0.00 0.00 -0.87 0.00 0.00 176.83 176.02 1o6x n GLN 69 N -4.88 1.06 -3.83 4.77 10.64 0.13 -4.88 117.38 120.39 1o6x n GLN 69 Ca 0.13 -0.09 -0.26 0.00 -1.83 0.00 0.00 57.00 54.94 1o6x n GLN 69 Cb 0.32 -1.07 0.01 0.00 -0.86 0.00 0.00 30.24 28.64 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 0.59 -0.45 3.88 2.61 0.00 0.27 -4.74 105.19 107.34 1o6x n GLY 70 Ca 0.03 0.23 -0.27 0.00 0.00 0.00 0.00 46.02 46.01 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 -3.77 1.60 -0.10 -0.61 2.07 -0.14 -5.01 121.20 115.25 1o6x s ILE 71 Ca 0.14 -1.58 0.00 0.00 -1.41 0.00 0.00 60.65 57.80 1o6x s ILE 71 Cb -0.05 -2.18 0.02 0.00 0.13 0.00 0.00 42.46 40.38 1o6x s ILE 71 CO 0.87 0.00 -0.09 0.00 -1.91 0.00 0.00 174.94 173.81 1o6x s ALA 72 N -2.78 1.32 0.00 1.50 0.00 -1.26 -4.59 121.76 115.96 1o6x s ALA 72 Ca 0.30 -0.53 0.00 0.00 0.00 0.00 0.00 51.96 51.73 1o6x s ALA 72 Cb -0.01 -0.84 0.00 0.00 0.00 0.00 0.00 23.12 22.27 1o6x s ALA 72 CO 0.18 -0.30 0.00 2.48 0.00 0.00 0.00 175.76 178.13 1o6x n TYR 73 N 4.68 0.00 -3.50 0.00 4.11 -1.26 -0.30 117.16 120.89 1o6x n TYR 73 Ca -0.15 0.00 -0.10 0.00 -0.00 0.00 0.00 57.90 57.65 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 0.45 -0.00 0.00 0.00 176.86 177.31 1o6x s SER 74 N -0.88 -0.47 -0.29 9.48 0.15 0.19 -4.90 113.70 116.98 1o6x s SER 74 Ca 0.00 -0.09 -0.12 0.00 0.70 0.00 0.00 55.95 56.44 1o6x s SER 74 Cb 0.00 0.56 -0.04 0.00 -1.71 0.00 0.00 66.02 64.83 1o6x s SER 74 CO 0.00 -0.93 0.24 -0.63 1.20 0.00 0.00 173.24 173.11 1o6x s ILE 75 N -3.61 5.28 -0.02 6.45 1.09 -1.26 0.23 121.20 129.36 1o6x s ILE 75 Ca 0.04 0.17 -0.01 0.00 -1.10 0.00 0.00 60.65 59.74 1o6x s ILE 75 Cb -0.02 -3.60 -0.00 0.00 -1.06 0.00 0.00 42.46 37.78 1o6x s ILE 75 CO -0.09 0.18 -0.02 -0.03 -0.10 0.00 0.00 174.94 174.88 1o6x h MET 76 N 8.36 0.00 -6.31 2.79 4.05 -1.90 -3.47 114.93 118.46 1o6x h MET 76 Ca -0.34 0.00 -0.62 0.00 -0.28 0.00 0.00 59.70 58.47 1o6x h MET 76 Cb 1.18 0.00 -0.15 0.00 -0.80 0.00 0.00 31.60 31.83 1o6x h MET 76 CO 0.58 0.00 -0.77 -1.50 0.23 0.00 0.00 176.91 175.46 1o6x s ILE 77 N -1.15 2.53 0.00 1.77 1.10 -1.26 -5.06 121.20 119.13 1o6x s ILE 77 Ca -0.02 -2.27 0.00 0.00 -0.51 0.00 0.00 60.65 57.85 1o6x s ILE 77 Cb 0.00 -2.30 0.00 0.00 0.15 0.00 0.00 42.46 40.31 1o6x s ILE 77 CO 0.02 -0.32 0.00 1.21 -2.11 0.00 0.00 174.94 173.74 1o6x n GLU 78 N -0.41 0.13 -2.05 3.50 2.13 -1.26 -4.24 120.64 118.43 1o6x n GLU 78 Ca -0.07 0.00 -0.42 0.00 0.66 0.00 0.00 57.16 57.33 1o6x n GLU 78 Cb 0.59 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.30 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 4.33 -4.54 4.31 9.92 -1.26 -4.92 116.55 124.39 1o6x n ASP 79 Ca 0.00 -2.90 -0.42 0.00 -0.53 0.00 0.00 54.79 50.94 1o6x n ASP 79 Cb 0.00 -1.65 -0.08 0.00 -0.64 0.00 0.00 41.12 38.75 1o6x n ASP 79 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 1o6x s VAL 80 N 2.92 5.00 0.00 2.53 0.11 -1.26 -4.92 120.40 124.77 1o6x s VAL 80 Ca 0.47 0.22 0.00 0.00 -2.93 0.00 0.00 61.98 59.74 1o6x s VAL 80 Cb 0.11 -4.01 0.00 0.00 -1.53 0.00 0.00 36.38 30.95 1o6x s VAL 80 CO -0.04 -0.30 0.00 0.00 -3.33 0.00 0.00 175.10 171.44