#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 -2.57 -2.81 2.12 1.85 -1.26 -5.18 116.66 108.82 1o6x n ARG 2 Ca 0.00 0.00 -0.14 0.00 -1.00 0.00 0.00 57.85 56.71 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 -1.13 -0.01 0.00 0.00 177.63 176.49 1o6x n SER 3 N 1.17 2.02 -4.62 2.89 3.41 -1.26 -5.14 113.62 112.10 1o6x n SER 3 Ca 0.00 -2.03 -0.33 0.00 -0.26 0.00 0.00 58.87 56.26 1o6x n SER 3 Cb 0.00 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 63.85 1o6x n SER 3 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1o6x s LEU 4 N 0.00 3.30 -0.12 1.04 1.43 -1.26 -5.11 118.68 117.96 1o6x s LEU 4 Ca 0.15 -0.05 0.01 0.00 -1.03 0.00 0.00 54.13 53.21 1o6x s LEU 4 Cb -0.01 -1.84 -0.01 0.00 0.03 0.00 0.00 46.19 44.36 1o6x s LEU 4 CO 0.09 0.31 -0.17 -0.70 0.23 0.00 0.00 176.35 176.12 1o6x s GLU 5 N -1.26 3.27 0.41 1.70 2.56 -1.26 -5.12 118.70 118.99 1o6x s GLU 5 Ca 0.16 -0.75 0.08 0.00 0.00 0.00 0.00 54.97 54.46 1o6x s GLU 5 Cb -0.11 -2.52 -0.02 0.00 2.00 0.00 0.00 34.13 33.48 1o6x s GLU 5 CO 0.06 0.19 0.39 0.95 -0.56 0.00 0.00 175.26 176.30 1o6x s THR 6 N 0.37 2.78 0.12 -1.70 -4.23 -1.26 -5.13 115.64 106.59 1o6x s THR 6 Ca -0.13 -1.30 -0.11 0.00 -1.18 0.00 0.00 61.69 58.96 1o6x s THR 6 Cb -0.17 -3.02 0.04 0.00 1.34 0.00 0.00 72.50 70.70 1o6x s THR 6 CO 0.06 -0.02 0.55 0.49 -0.54 0.00 0.00 174.62 175.17 1o6x n PHE 7 N -1.57 -1.12 -3.90 3.99 3.72 -1.26 -5.19 117.46 112.13 1o6x n PHE 7 Ca 0.04 -0.75 -0.09 0.00 -0.05 0.00 0.00 57.45 56.60 1o6x n PHE 7 Cb 0.61 0.37 -0.07 0.00 -0.94 0.00 0.00 39.48 39.45 1o6x n PHE 7 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 1o6x s VAL 8 N -2.32 0.10 -0.38 -4.37 1.01 -1.26 -5.08 120.40 108.09 1o6x s VAL 8 Ca 0.12 -1.26 0.13 0.00 0.00 0.00 0.00 61.98 60.97 1o6x s VAL 8 Cb -0.02 -1.60 0.42 0.00 0.00 0.00 0.00 36.38 35.18 1o6x s VAL 8 CO 0.04 -0.44 0.95 0.61 0.00 0.00 0.00 175.10 176.26 1o6x n GLY 9 N -0.15 3.31 1.93 4.51 0.00 -1.26 -5.10 105.19 108.43 1o6x n GLY 9 Ca -0.11 -1.84 -0.15 0.00 0.00 0.00 0.00 46.02 43.91 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 -0.12 -0.48 -3.65 1.61 9.92 -1.26 -2.85 116.55 119.72 1o6x n ASP 10 Ca 0.21 -1.11 -0.02 0.00 -0.53 0.00 0.00 54.79 53.34 1o6x n ASP 10 Cb 0.72 -0.52 -0.06 0.00 -0.64 0.00 0.00 41.12 40.61 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 -4.43 0.35 0.64 -1.24 0.74 0.16 -4.60 119.66 111.29 1o6x s GLN 11 Ca 0.38 0.60 -0.04 0.00 0.05 0.00 0.00 55.36 56.35 1o6x s GLN 11 Cb -0.02 0.07 0.05 0.00 1.10 0.00 0.00 33.01 34.21 1o6x s GLN 11 CO 0.28 -0.07 0.92 0.08 -0.55 0.00 0.00 175.29 175.95 1o6x s VAL 12 N 1.31 2.57 -0.11 1.34 1.01 -1.24 -0.52 120.40 124.74 1o6x s VAL 12 Ca -0.09 -0.37 -0.24 0.00 0.00 0.00 0.00 61.98 61.29 1o6x s VAL 12 Cb -0.03 -3.06 0.06 0.00 0.00 0.00 0.00 36.38 33.35 1o6x s VAL 12 CO -0.14 -0.05 0.57 -1.48 0.00 0.00 0.00 175.10 174.00 1o6x s LEU 13 N -5.06 -0.20 -0.27 3.92 0.05 -1.15 -3.51 118.68 112.46 1o6x s LEU 13 Ca 0.58 0.78 -0.12 0.00 0.05 0.00 0.00 54.13 55.42 1o6x s LEU 13 Cb -0.11 2.09 -0.05 0.00 -2.05 0.00 0.00 46.19 46.07 1o6x s LEU 13 CO 0.43 -0.42 0.26 -1.61 -0.55 0.00 0.00 176.35 174.46 1o6x s GLU 14 N -0.62 3.98 -0.01 1.48 2.02 0.84 -3.59 118.70 122.81 1o6x s GLU 14 Ca -0.07 -0.18 0.03 0.00 0.02 0.00 0.00 54.97 54.77 1o6x s GLU 14 Cb -0.03 -3.65 -0.03 0.00 0.10 0.00 0.00 34.13 30.52 1o6x s GLU 14 CO 0.05 -0.20 -0.06 0.42 0.02 0.00 0.00 175.26 175.49 1o6x s ILE 15 N 1.83 3.69 -0.35 -1.63 1.01 -0.41 0.13 121.20 125.46 1o6x s ILE 15 Ca 0.10 -0.71 0.00 0.00 0.00 0.00 0.00 60.65 60.04 1o6x s ILE 15 Cb -0.16 -2.59 0.11 0.00 0.01 0.00 0.00 42.46 39.83 1o6x s ILE 15 CO 0.10 0.42 0.15 -0.69 0.00 0.00 0.00 174.94 174.93 1o6x s VAL 16 N -0.97 0.99 0.96 2.92 1.01 -0.38 -1.28 120.40 123.64 1o6x s VAL 16 Ca 0.16 -1.79 -0.16 0.00 0.00 0.00 0.00 61.98 60.19 1o6x s VAL 16 Cb -0.11 -1.73 0.23 0.00 0.00 0.00 0.00 36.38 34.77 1o6x s VAL 16 CO 0.07 -0.77 1.06 -0.81 0.00 0.00 0.00 175.10 174.65 1o6x n PRO 17 N 4.38 -1.99 0.00 2.72 -0.04 -1.26 -4.28 135.00 134.53 1o6x n PRO 17 Ca 0.02 -1.66 0.00 0.00 -0.04 0.00 0.00 63.50 61.83 1o6x n PRO 17 Cb 0.39 -1.31 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 -4.18 0.00 -3.32 3.54 2.88 -1.26 -4.23 113.62 107.05 1o6x n SER 18 Ca 0.14 0.00 -0.14 0.00 -1.33 0.00 0.00 58.87 57.54 1o6x n SER 18 Cb 0.51 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 -2.03 2.16 0.08 -3.46 3.02 -1.26 -4.68 115.26 109.09 1o6x n ASN 19 Ca 0.00 -1.97 0.12 0.00 -0.03 0.00 0.00 54.58 52.70 1o6x n ASN 19 Cb 0.00 0.05 0.07 0.00 -0.61 0.00 0.00 39.78 39.30 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 0.00 0.55 3.52 5.08 -1.98 -3.25 114.58 118.50 1o6x h GLU 20 Ca -0.18 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.15 1o6x h GLU 20 Cb 0.61 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.86 1o6x h GLU 20 CO 0.29 0.00 -0.26 1.49 -1.00 0.00 0.00 179.01 179.53 1o6x h GLU 21 N 0.00 -0.71 0.00 2.33 4.81 -1.96 1.44 114.58 120.49 1o6x h GLU 21 Ca 0.00 0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.26 1o6x h GLU 21 Cb 0.87 0.16 -0.00 0.00 0.63 0.00 0.00 28.75 30.41 1o6x h GLU 21 CO 0.00 -0.47 -0.06 1.96 -0.73 0.00 0.00 179.01 179.70 1o6x h GLN 22 N -0.90 0.00 0.12 1.92 7.50 -1.79 -0.00 115.11 121.95 1o6x h GLN 22 Ca -0.08 0.00 -0.29 0.00 0.50 0.00 0.00 58.65 58.78 1o6x h GLN 22 Cb 0.56 0.00 0.03 0.00 0.05 0.00 0.00 27.48 28.12 1o6x h GLN 22 CO 0.12 0.06 -1.21 0.82 -1.50 0.00 0.00 178.83 177.13 1o6x h ILE 23 N 0.00 1.29 0.00 2.54 2.04 -1.56 -3.00 117.51 118.82 1o6x h ILE 23 Ca -0.00 -2.44 0.00 0.00 1.00 0.00 0.00 64.86 63.41 1o6x h ILE 23 Cb 0.14 2.71 0.00 0.00 -0.74 0.00 0.00 36.82 38.93 1o6x h ILE 23 CO 0.01 0.74 0.00 0.50 0.00 0.00 0.00 178.15 179.40 1o6x h LYS 24 N 0.24 0.00 0.04 2.37 3.11 0.30 -2.13 116.57 120.49 1o6x h LYS 24 Ca -0.18 0.00 -0.25 0.00 -2.81 0.00 0.00 60.65 57.41 1o6x h LYS 24 Cb 1.89 0.00 0.01 0.00 -1.00 0.00 0.00 32.23 33.13 1o6x h LYS 24 CO 0.23 0.00 -1.04 -0.91 -2.81 0.00 0.00 179.45 174.92 1o6x h ASN 25 N 0.00 0.59 -0.37 4.20 4.21 -0.94 -2.95 115.58 120.32 1o6x h ASN 25 Ca 0.00 -0.51 -0.06 0.00 1.21 0.00 0.00 56.30 56.94 1o6x h ASN 25 Cb 0.42 -0.18 -0.01 0.00 -1.12 0.00 0.00 38.32 37.42 1o6x h ASN 25 CO 0.00 1.32 -0.01 -0.07 -1.29 0.00 0.00 177.43 177.39 1o6x h LEU 26 N 0.22 0.65 0.15 1.61 3.38 -1.26 -1.88 115.31 118.18 1o6x h LEU 26 Ca -0.11 -0.31 0.02 0.00 0.09 0.00 0.00 57.88 57.57 1o6x h LEU 26 Cb 1.70 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 42.23 1o6x h LEU 26 CO 0.18 0.80 -0.40 -0.07 0.09 0.00 0.00 178.44 179.05 1o6x h LEU 27 N 0.47 -1.16 -1.32 1.67 3.38 -1.51 0.67 115.31 117.51 1o6x h LEU 27 Ca 0.10 0.13 0.17 0.00 0.09 0.00 0.00 57.88 58.37 1o6x h LEU 27 Cb 0.47 0.43 -0.07 0.00 0.09 0.00 0.00 40.66 41.58 1o6x h LEU 27 CO 0.02 -0.48 0.58 -0.61 0.09 0.00 0.00 178.44 178.04 1o6x h GLN 28 N -0.65 0.60 0.46 1.13 -0.00 -1.46 0.88 115.11 116.06 1o6x h GLN 28 Ca 0.02 -0.04 -0.02 0.00 -0.00 0.00 0.00 58.65 58.61 1o6x h GLN 28 Cb 0.67 -0.13 0.00 0.00 0.00 0.00 0.00 27.48 28.02 1o6x h GLN 28 CO -0.22 0.39 -0.22 1.25 0.00 0.00 0.00 178.83 180.04 1o6x h LEU 29 N 0.61 -0.52 -2.01 -2.39 5.85 -0.22 -1.57 115.31 115.07 1o6x h LEU 29 Ca 0.47 0.02 0.15 0.00 0.84 0.00 0.00 57.88 59.36 1o6x h LEU 29 Cb 0.88 0.13 -0.02 0.00 0.37 0.00 0.00 40.66 42.02 1o6x h LEU 29 CO -0.22 -0.24 0.41 -0.08 -0.34 0.00 0.00 178.44 177.96 1o6x h GLU 30 N -0.87 0.00 -0.06 1.25 4.81 0.80 0.19 114.58 120.70 1o6x h GLU 30 Ca -0.06 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.16 1o6x h GLU 30 Cb 0.47 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.85 1o6x h GLU 30 CO 0.10 0.00 0.01 0.00 -0.73 0.00 0.00 179.01 178.39 1o6x h ALA 31 N 1.69 0.08 -0.32 2.92 0.00 0.89 -3.34 119.26 121.19 1o6x h ALA 31 Ca 0.25 -0.14 -0.60 0.00 0.00 0.00 0.00 54.91 54.42 1o6x h ALA 31 Cb 1.07 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.78 1o6x h ALA 31 CO -0.00 -0.27 1.57 1.04 0.00 0.00 0.00 179.25 181.59 1o6x n GLN 32 N -4.89 0.26 -0.35 0.00 1.13 0.05 -4.75 117.38 108.82 1o6x n GLN 32 Ca -0.07 0.04 -0.03 0.00 -1.94 0.00 0.00 57.00 55.01 1o6x n GLN 32 Cb 0.16 -1.83 0.01 0.00 0.11 0.00 0.00 30.24 28.69 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 8.21 -0.25 -0.25 -1.09 0.00 -1.26 0.20 120.64 126.20 1o6x n GLU 33 Ca 0.56 1.39 0.02 0.00 0.00 0.00 0.00 57.16 59.13 1o6x n GLU 33 Cb 0.09 -2.06 0.15 0.00 0.00 0.00 0.00 31.44 29.62 1o6x n GLU 33 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.13 177.58 1o6x h HIS 34 N 0.00 0.63 -1.44 4.31 -0.00 -1.93 -0.36 115.15 116.36 1o6x h HIS 34 Ca 0.28 0.03 -0.66 0.00 -0.00 0.00 0.00 60.37 60.02 1o6x h HIS 34 Cb 0.51 -0.17 -0.25 0.00 -0.00 0.00 0.00 27.41 27.50 1o6x h HIS 34 CO -0.82 0.21 0.84 1.28 -0.00 0.00 0.00 177.93 179.44 1o6x n LEU 35 N -4.87 7.30 -3.34 2.43 4.77 0.54 -4.85 117.00 118.97 1o6x n LEU 35 Ca 0.12 -4.42 -0.29 0.00 -0.03 0.00 0.00 56.01 51.38 1o6x n LEU 35 Cb 0.29 -1.07 -0.04 0.00 -2.33 0.00 0.00 43.42 40.27 1o6x n LEU 35 CO 0.24 1.63 2.00 1.67 -1.33 0.00 0.00 177.39 181.60 1o6x n GLN 36 N -0.31 1.38 -1.51 3.23 0.00 0.27 -3.88 117.38 116.56 1o6x n GLN 36 Ca 0.53 -1.42 -0.35 0.00 -0.00 0.00 0.00 57.00 55.77 1o6x n GLN 36 Cb 0.43 -2.56 0.09 0.00 0.00 0.00 0.00 30.24 28.20 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 3.37 -0.25 1.69 1.43 -1.25 -5.00 118.68 119.13 1o6x s LEU 37 Ca 0.43 2.41 -0.02 0.00 -1.03 0.00 0.00 54.13 55.92 1o6x s LEU 37 Cb 0.11 -4.59 0.02 0.00 0.03 0.00 0.00 46.19 41.76 1o6x s LEU 37 CO 0.06 -2.20 -0.05 -1.81 0.23 0.00 0.00 176.35 172.59 1o6x s ASP 38 N -1.90 4.39 -0.11 2.29 1.01 -1.26 -4.85 116.67 116.24 1o6x s ASP 38 Ca 0.76 -0.86 -0.19 0.00 0.71 0.00 0.00 52.55 52.98 1o6x s ASP 38 Cb -0.31 -1.68 -0.04 0.00 1.01 0.00 0.00 42.92 41.90 1o6x s ASP 38 CO 0.44 -0.13 0.50 -0.36 0.21 0.00 0.00 175.17 175.82 1o6x s PHE 39 N 1.34 3.52 0.03 4.23 0.08 -1.26 -3.24 117.98 122.69 1o6x s PHE 39 Ca 0.00 0.92 -0.18 0.00 0.12 0.00 0.00 56.93 57.80 1o6x s PHE 39 Cb -0.17 -2.57 -0.22 0.00 -0.57 0.00 0.00 43.02 39.49 1o6x s PHE 39 CO -0.04 0.17 1.15 -1.49 -0.10 0.00 0.00 175.22 174.91 1o6x h TRP 40 N 6.68 0.75 -3.81 0.36 4.06 -1.68 -3.41 115.95 118.89 1o6x h TRP 40 Ca -0.41 -0.39 -0.66 0.00 2.06 0.00 0.00 58.89 59.49 1o6x h TRP 40 Cb 1.18 -0.09 -0.38 0.00 -1.00 0.00 0.00 29.16 28.87 1o6x h TRP 40 CO 0.62 1.21 -0.79 0.21 -3.56 0.00 0.00 178.44 176.13 1o6x s LYS 41 N -3.34 2.06 -0.96 0.49 2.20 -1.26 -4.96 119.74 113.97 1o6x s LYS 41 Ca -0.12 -1.37 -0.32 0.00 -0.36 0.00 0.00 55.97 53.81 1o6x s LYS 41 Cb 0.05 -2.88 -0.22 0.00 -1.51 0.00 0.00 37.83 33.27 1o6x s LYS 41 CO 0.85 -0.62 2.66 -1.13 -0.36 0.00 0.00 175.35 176.75 1o6x n SER 42 N 4.44 0.36 0.00 1.43 3.41 -1.26 -4.60 113.62 117.40 1o6x n SER 42 Ca -0.12 0.19 0.11 0.00 -0.26 0.00 0.00 58.87 58.80 1o6x n SER 42 Cb 0.42 -0.93 0.66 0.00 -0.26 0.00 0.00 64.21 64.10 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 8.46 0.75 -0.60 4.33 -0.04 -1.26 -3.85 135.00 142.78 1o6x n PRO 43 Ca 0.65 0.00 0.48 0.00 -0.04 0.00 0.00 63.50 64.58 1o6x n PRO 43 Cb 0.04 -1.46 0.76 0.00 -0.04 0.00 0.00 33.50 32.80 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 0.01 -3.15 0.52 2.02 -1.92 -3.37 112.91 107.01 1o6x h THR 44 Ca 0.00 -0.00 -0.63 0.00 0.77 0.00 0.00 66.41 66.55 1o6x h THR 44 Cb 0.00 0.01 -0.10 0.00 -1.74 0.00 0.00 68.15 66.31 1o6x h THR 44 CO 0.00 0.00 -0.63 0.42 0.37 0.00 0.00 175.52 175.68 1o6x s THR 45 N -5.05 4.20 0.00 3.16 -4.23 -1.25 -4.99 115.64 107.48 1o6x s THR 45 Ca -0.06 -0.99 0.00 0.00 -1.18 0.00 0.00 61.69 59.46 1o6x s THR 45 Cb 0.29 -3.04 0.00 0.00 1.34 0.00 0.00 72.50 71.09 1o6x s THR 45 CO 0.87 0.06 0.00 -0.81 -0.54 0.00 0.00 174.62 174.20 1o6x n PRO 46 N 0.32 0.06 -2.40 3.99 -0.04 -1.26 -4.04 135.00 131.63 1o6x n PRO 46 Ca -0.10 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.34 1o6x n PRO 46 Cb 0.53 0.00 -0.00 0.00 -0.04 0.00 0.00 33.50 33.98 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 -0.45 2.82 0.55 0.00 -1.26 -4.84 105.19 105.77 1o6x n GLY 47 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.82 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 -4.62 0.60 0.29 1.61 4.04 -1.26 -5.07 118.70 114.29 1o6x s GLU 48 Ca 0.04 0.04 -0.29 0.00 0.04 0.00 0.00 54.97 54.80 1o6x s GLU 48 Cb -0.02 -0.83 -0.09 0.00 0.02 0.00 0.00 34.13 33.21 1o6x s GLU 48 CO 0.05 -0.20 1.04 0.95 -1.84 0.00 0.00 175.26 175.26 1o6x s THR 49 N 1.46 3.70 0.19 1.83 -4.23 -1.26 -4.30 115.64 113.03 1o6x s THR 49 Ca -0.03 1.63 0.09 0.00 -1.18 0.00 0.00 61.69 62.21 1o6x s THR 49 Cb -0.13 -4.01 -0.04 0.00 1.34 0.00 0.00 72.50 69.66 1o6x s THR 49 CO -0.03 0.33 -0.13 0.00 -0.54 0.00 0.00 174.62 174.25 1o6x s ALA 50 N -1.26 2.85 -0.33 3.99 0.00 -0.40 -4.66 121.76 121.95 1o6x s ALA 50 Ca 0.46 -1.52 0.01 0.00 0.00 0.00 0.00 51.96 50.91 1o6x s ALA 50 Cb -0.28 -0.64 0.15 0.00 0.00 0.00 0.00 23.12 22.34 1o6x s ALA 50 CO 0.36 0.45 0.34 -1.01 0.00 0.00 0.00 175.76 175.90 1o6x s HIS 51 N -1.72 -0.39 -0.01 0.00 3.76 -1.25 -1.29 115.29 114.38 1o6x s HIS 51 Ca 0.24 -0.48 0.01 0.00 -0.15 0.00 0.00 55.06 54.68 1o6x s HIS 51 Cb -0.08 -0.43 -0.04 0.00 1.11 0.00 0.00 32.58 33.14 1o6x s HIS 51 CO 0.14 -0.95 -0.01 0.54 -0.85 0.00 0.00 174.74 173.61 1o6x s VAL 52 N 1.90 4.08 -1.16 -0.90 0.11 -1.24 -1.58 120.40 121.62 1o6x s VAL 52 Ca 0.13 -0.59 -0.16 0.00 -2.93 0.00 0.00 61.98 58.43 1o6x s VAL 52 Cb -0.15 -2.80 0.14 0.00 -1.53 0.00 0.00 36.38 32.05 1o6x s VAL 52 CO -0.18 0.41 1.43 -0.60 -3.33 0.00 0.00 175.10 172.82 1o6x s ARG 53 N -1.45 3.96 0.26 1.54 3.52 -1.20 -2.92 118.95 122.66 1o6x s ARG 53 Ca 0.18 -2.27 -0.23 0.00 -0.13 0.00 0.00 55.73 53.28 1o6x s ARG 53 Cb -0.11 -5.13 -0.09 0.00 -1.56 0.00 0.00 34.95 28.06 1o6x s ARG 53 CO 0.09 -1.87 0.83 0.08 -0.81 0.00 0.00 175.30 173.62 1o6x s VAL 54 N 2.37 4.37 0.17 7.11 1.01 0.32 -4.66 120.40 131.09 1o6x s VAL 54 Ca 0.43 1.60 -0.30 0.00 0.00 0.00 0.00 61.98 63.71 1o6x s VAL 54 Cb -0.02 -3.98 -0.07 0.00 0.00 0.00 0.00 36.38 32.31 1o6x s VAL 54 CO -0.01 0.24 1.12 -2.16 0.00 0.00 0.00 175.10 174.29 1o6x s PRO 55 N -1.85 4.57 0.34 2.72 0.04 -1.26 0.41 135.00 139.95 1o6x s PRO 55 Ca 0.45 1.74 0.12 0.00 0.04 0.00 0.00 61.00 63.34 1o6x s PRO 55 Cb -0.19 -3.28 0.93 0.00 0.04 0.00 0.00 34.50 32.01 1o6x s PRO 55 CO 0.23 0.02 1.74 0.35 0.04 0.00 0.00 177.00 179.39 1o6x h PHE 56 N 5.27 0.93 0.00 0.56 3.57 -1.78 2.26 116.94 127.75 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 -0.27 -0.00 0.00 2.79 0.00 0.00 35.95 39.68 1o6x h PHE 56 CO 0.63 0.07 -0.02 -0.24 -2.23 0.00 0.00 178.31 176.53 1o6x h VAL 57 N 0.55 0.06 -0.07 1.41 3.04 -1.91 -1.30 116.25 118.02 1o6x h VAL 57 Ca 0.63 -0.35 0.00 0.00 -1.01 0.00 0.00 66.70 65.97 1o6x h VAL 57 Cb 1.28 1.33 0.00 0.00 -2.01 0.00 0.00 31.29 31.89 1o6x h VAL 57 CO -0.42 0.01 0.00 -3.20 -1.01 0.00 0.00 177.57 172.95 1o6x n ASN 58 N -3.14 2.34 0.09 3.17 2.85 0.64 -4.56 115.26 116.65 1o6x n ASN 58 Ca -0.01 -2.30 -0.05 0.00 -0.11 0.00 0.00 54.58 52.11 1o6x n ASN 58 Cb 0.22 -0.16 0.00 0.00 1.24 0.00 0.00 39.78 41.08 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 0.43 1.60 0.21 3.44 2.07 0.35 -2.95 116.25 121.39 1o6x h VAL 59 Ca 0.00 -2.87 -0.01 0.00 0.82 0.00 0.00 66.70 64.64 1o6x h VAL 59 Cb 0.71 2.55 0.00 0.00 -1.52 0.00 0.00 31.29 33.03 1o6x h VAL 59 CO 0.01 0.82 -0.10 -0.61 0.02 0.00 0.00 177.57 177.71 1o6x h GLN 60 N 0.00 -0.27 -1.24 1.57 5.75 -1.80 0.16 115.11 119.28 1o6x h GLN 60 Ca -0.01 0.02 0.39 0.00 -0.15 0.00 0.00 58.65 58.90 1o6x h GLN 60 Cb 1.48 0.06 -0.12 0.00 1.07 0.00 0.00 27.48 29.98 1o6x h GLN 60 CO 0.11 -0.18 0.80 0.00 -2.65 0.00 0.00 178.83 176.91 1o6x h ALA 61 N -1.64 2.60 -0.12 3.38 0.00 -1.85 1.43 119.26 123.05 1o6x h ALA 61 Ca -0.03 0.10 -0.13 0.00 0.00 0.00 0.00 54.91 54.85 1o6x h ALA 61 Cb 0.21 0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1o6x h ALA 61 CO 0.05 -1.16 -0.43 0.28 0.00 0.00 0.00 179.25 177.99 1o6x h VAL 62 N 0.17 1.37 -0.57 0.00 2.07 -1.51 -1.22 116.25 116.56 1o6x h VAL 62 Ca 0.75 -1.74 0.07 0.00 0.82 0.00 0.00 66.70 66.61 1o6x h VAL 62 Cb 2.27 2.13 -0.03 0.00 -1.52 0.00 0.00 31.29 34.13 1o6x h VAL 62 CO -0.38 0.52 0.38 0.11 0.02 0.00 0.00 177.57 178.22 1o6x h LYS 63 N 0.10 0.47 -0.00 1.57 1.57 0.48 0.11 116.57 120.86 1o6x h LYS 63 Ca -0.02 -0.03 -0.22 0.00 -1.87 0.00 0.00 60.65 58.51 1o6x h LYS 63 Cb 1.06 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 33.26 1o6x h LYS 63 CO 0.09 0.31 -0.93 0.28 -0.57 0.00 0.00 179.45 178.63 1o6x h VAL 64 N 0.48 1.40 0.55 0.50 2.07 -0.44 -3.09 116.25 117.71 1o6x h VAL 64 Ca 0.25 -2.43 -0.03 0.00 0.82 0.00 0.00 66.70 65.31 1o6x h VAL 64 Cb 0.38 2.40 0.01 0.00 -1.52 0.00 0.00 31.29 32.56 1o6x h VAL 64 CO -0.07 0.73 -0.26 0.15 0.02 0.00 0.00 177.57 178.13 1o6x h PHE 65 N 0.23 -0.68 -0.39 1.57 3.57 0.37 0.14 116.94 121.75 1o6x h PHE 65 Ca -0.08 -0.02 0.06 0.00 3.53 0.00 0.00 57.97 61.47 1o6x h PHE 65 Cb 1.56 0.22 -0.09 0.00 2.79 0.00 0.00 35.95 40.44 1o6x h PHE 65 CO 0.06 -0.38 -0.45 -0.07 -2.23 0.00 0.00 178.31 175.24 1o6x h LEU 66 N -0.85 -1.50 -0.65 0.59 3.38 -1.02 0.45 115.31 115.71 1o6x h LEU 66 Ca -0.07 0.22 0.08 0.00 0.09 0.00 0.00 57.88 58.19 1o6x h LEU 66 Cb 0.61 0.65 -0.06 0.00 0.09 0.00 0.00 40.66 41.94 1o6x h LEU 66 CO 0.12 -0.38 0.31 -0.33 0.09 0.00 0.00 178.44 178.25 1o6x h GLU 67 N -0.35 0.54 -0.73 1.13 4.39 -1.50 -0.13 114.58 117.93 1o6x h GLU 67 Ca 0.12 -0.03 0.08 0.00 0.34 0.00 0.00 59.36 59.87 1o6x h GLU 67 Cb 0.59 -0.12 -0.07 0.00 -0.10 0.00 0.00 28.75 29.05 1o6x h GLU 67 CO -0.57 0.36 0.39 0.66 -1.16 0.00 0.00 179.01 178.69 1o6x h SER 68 N 0.55 0.56 -0.05 1.42 4.64 0.18 0.48 113.55 121.34 1o6x h SER 68 Ca 0.31 0.05 0.00 0.00 -0.47 0.00 0.00 61.79 61.68 1o6x h SER 68 Cb 0.30 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 62.33 1o6x h SER 68 CO -0.24 0.33 0.00 0.00 -0.87 0.00 0.00 176.83 176.05 1o6x n GLN 69 N -4.80 1.13 -3.81 4.77 10.64 0.13 -4.88 117.38 120.56 1o6x n GLN 69 Ca 0.11 -0.19 -0.25 0.00 -1.83 0.00 0.00 57.00 54.83 1o6x n GLN 69 Cb 0.24 -1.05 0.01 0.00 -0.86 0.00 0.00 30.24 28.58 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 0.58 -0.39 3.84 2.61 0.00 0.17 -4.51 105.19 107.49 1o6x n GLY 70 Ca 0.02 0.20 -0.27 0.00 0.00 0.00 0.00 46.02 45.97 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 1.79 -0.10 -0.61 2.07 -0.20 -4.97 121.20 115.40 1o6x s ILE 71 Ca 0.09 -1.60 -0.00 0.00 -1.41 0.00 0.00 60.65 57.73 1o6x s ILE 71 Cb -0.03 -2.39 0.02 0.00 0.13 0.00 0.00 42.46 40.19 1o6x s ILE 71 CO 0.86 0.00 -0.06 0.00 -1.91 0.00 0.00 174.94 173.82 1o6x s ALA 72 N -2.73 1.16 0.00 1.50 0.00 -1.26 -4.53 121.76 115.90 1o6x s ALA 72 Ca 0.32 -0.42 0.00 0.00 0.00 0.00 0.00 51.96 51.86 1o6x s ALA 72 Cb -0.00 -0.82 0.00 0.00 0.00 0.00 0.00 23.12 22.29 1o6x s ALA 72 CO 0.19 -0.36 0.00 2.48 0.00 0.00 0.00 175.76 178.07 1o6x n TYR 73 N 4.84 0.00 -3.60 0.00 4.11 -1.26 -1.25 117.16 120.00 1o6x n TYR 73 Ca -0.13 0.00 -0.10 0.00 -0.00 0.00 0.00 57.90 57.67 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 -0.94 -0.44 -0.45 9.48 0.01 0.34 -4.92 113.70 116.78 1o6x s SER 74 Ca 0.00 -0.25 -0.16 0.00 1.31 0.00 0.00 55.95 56.85 1o6x s SER 74 Cb 0.00 0.65 0.05 0.00 0.21 0.00 0.00 66.02 66.93 1o6x s SER 74 CO 0.00 -1.12 0.38 -0.63 0.41 0.00 0.00 173.24 172.28 1o6x s ILE 75 N -3.81 5.20 -0.00 1.44 1.09 -1.26 -0.11 121.20 123.75 1o6x s ILE 75 Ca 0.05 -0.80 -0.00 0.00 -1.10 0.00 0.00 60.65 58.80 1o6x s ILE 75 Cb -0.03 -4.06 -0.00 0.00 -1.06 0.00 0.00 42.46 37.31 1o6x s ILE 75 CO -0.05 -0.48 0.50 -0.03 -0.10 0.00 0.00 174.94 174.78 1o6x h MET 76 N 8.72 -0.00 -5.19 2.79 4.05 -1.89 -3.47 114.93 119.95 1o6x h MET 76 Ca -0.28 0.00 -0.51 0.00 -0.28 0.00 0.00 59.70 58.63 1o6x h MET 76 Cb 1.11 0.00 -0.30 0.00 -0.80 0.00 0.00 31.60 31.61 1o6x h MET 76 CO 0.82 -0.00 -0.82 -1.50 0.23 0.00 0.00 176.91 175.64 1o6x s ILE 77 N -2.01 1.19 0.00 1.77 1.10 -1.26 -5.06 121.20 116.94 1o6x s ILE 77 Ca -0.00 -0.61 0.00 0.00 -0.51 0.00 0.00 60.65 59.53 1o6x s ILE 77 Cb 0.00 -1.02 0.00 0.00 0.15 0.00 0.00 42.46 41.59 1o6x s ILE 77 CO 0.00 0.35 0.00 -1.84 -2.11 0.00 0.00 174.94 171.34 1o6x n GLU 78 N 3.00 3.31 -2.50 3.50 0.28 -1.26 -3.73 120.64 123.24 1o6x n GLU 78 Ca -0.17 0.00 -0.43 0.00 -0.16 0.00 0.00 57.16 56.40 1o6x n GLU 78 Cb 0.54 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.41 1o6x n GLU 78 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 1o6x n ASP 79 N 0.00 4.98 -4.35 -1.84 9.92 -1.26 -4.89 116.55 119.10 1o6x n ASP 79 Ca 0.00 -3.02 -0.53 0.00 -0.53 0.00 0.00 54.79 50.72 1o6x n ASP 79 Cb 0.00 -1.56 -0.13 0.00 -0.64 0.00 0.00 41.12 38.79 1o6x n ASP 79 CO 0.00 0.00 0.00 0.55 0.13 0.00 0.00 177.20 177.88 1o6x n VAL 80 N 4.27 0.00 1.20 2.53 3.14 -1.26 -5.23 118.33 122.98 1o6x n VAL 80 Ca 0.41 -0.01 0.10 0.00 -2.96 0.00 0.00 64.34 61.87 1o6x n VAL 80 Cb 0.40 -0.55 0.57 0.00 -1.06 0.00 0.00 33.84 33.20 1o6x n VAL 80 CO 0.00 0.00 0.00 1.67 -6.46 0.00 0.00 176.83 172.04