#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 1.15 -0.30 0.03 1.81 -1.26 -5.17 118.95 115.21 1o6x s ARG 2 Ca 0.00 -1.24 -0.29 0.00 -1.72 0.00 0.00 55.73 52.49 1o6x s ARG 2 Cb 0.00 0.36 0.20 0.00 -0.45 0.00 0.00 34.95 35.06 1o6x s ARG 2 CO 0.00 -0.41 1.40 0.45 -0.68 0.00 0.00 175.30 176.06 1o6x s SER 3 N -2.99 -0.01 -0.05 0.23 0.15 -1.26 -5.18 113.70 104.59 1o6x s SER 3 Ca 0.19 0.01 -0.10 0.00 0.70 0.00 0.00 55.95 56.75 1o6x s SER 3 Cb 0.04 0.01 0.02 0.00 -1.71 0.00 0.00 66.02 64.37 1o6x s SER 3 CO 0.01 -0.01 0.24 -0.76 1.20 0.00 0.00 173.24 173.93 1o6x s LEU 4 N -0.92 1.10 0.17 3.45 1.43 -1.26 -5.17 118.68 117.48 1o6x s LEU 4 Ca 0.10 0.23 0.10 0.00 -1.03 0.00 0.00 54.13 53.53 1o6x s LEU 4 Cb -0.01 0.94 -0.04 0.00 0.03 0.00 0.00 46.19 47.10 1o6x s LEU 4 CO -0.09 -0.25 -0.16 -0.70 0.23 0.00 0.00 176.35 175.37 1o6x s GLU 5 N -0.61 1.82 0.31 1.70 2.56 -1.26 -5.14 118.70 118.08 1o6x s GLU 5 Ca -0.07 -1.33 -0.16 0.00 0.00 0.00 0.00 54.97 53.41 1o6x s GLU 5 Cb -0.04 -2.05 0.02 0.00 2.00 0.00 0.00 34.13 34.07 1o6x s GLU 5 CO 0.02 0.43 0.67 0.95 -0.56 0.00 0.00 175.26 176.77 1o6x s THR 6 N -1.55 0.00 0.05 -1.70 -4.23 -1.26 -5.19 115.64 101.76 1o6x s THR 6 Ca 0.22 -1.15 -0.15 0.00 -1.18 0.00 0.00 61.69 59.44 1o6x s THR 6 Cb -0.09 -2.36 0.05 0.00 1.34 0.00 0.00 72.50 71.44 1o6x s THR 6 CO 0.12 0.00 0.68 0.49 -0.54 0.00 0.00 174.62 175.37 1o6x n PHE 7 N -0.47 -0.69 -3.95 3.99 3.72 -1.26 -5.19 117.46 113.60 1o6x n PHE 7 Ca -0.04 -0.60 -0.11 0.00 -0.05 0.00 0.00 57.45 56.65 1o6x n PHE 7 Cb 0.60 0.29 -0.03 0.00 -0.94 0.00 0.00 39.48 39.40 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 -0.48 0.00 0.00 -4.37 0.31 -1.26 -5.16 118.33 107.37 1o6x n VAL 8 Ca 0.01 -1.35 0.00 0.00 -0.01 0.00 0.00 64.34 62.99 1o6x n VAL 8 Cb 0.34 0.81 0.00 0.00 -0.91 0.00 0.00 33.84 34.08 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 -0.43 0.71 1.99 2.92 0.00 -1.26 -5.11 105.19 104.01 1o6x n GLY 9 Ca 0.01 0.57 -0.13 0.00 0.00 0.00 0.00 46.02 46.47 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 0.00 0.49 -3.65 1.61 9.92 -1.26 -2.07 116.55 121.59 1o6x n ASP 10 Ca 0.00 -1.48 -0.02 0.00 -0.53 0.00 0.00 54.79 52.77 1o6x n ASP 10 Cb 0.00 -0.39 -0.06 0.00 -0.64 0.00 0.00 41.12 40.03 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 -4.00 0.28 0.61 -1.24 0.74 0.30 -4.60 119.66 111.75 1o6x s GLN 11 Ca 0.35 0.47 -0.04 0.00 0.05 0.00 0.00 55.36 56.20 1o6x s GLN 11 Cb -0.02 0.07 0.03 0.00 1.10 0.00 0.00 33.01 34.19 1o6x s GLN 11 CO 0.24 -0.06 0.89 0.08 -0.55 0.00 0.00 175.29 175.90 1o6x s VAL 12 N 1.13 2.93 -0.11 1.34 1.01 -1.24 0.14 120.40 125.61 1o6x s VAL 12 Ca -0.07 -0.30 -0.26 0.00 0.00 0.00 0.00 61.98 61.34 1o6x s VAL 12 Cb -0.03 -3.18 0.06 0.00 0.00 0.00 0.00 36.38 33.23 1o6x s VAL 12 CO -0.13 -0.17 0.62 -1.48 0.00 0.00 0.00 175.10 173.94 1o6x s LEU 13 N -4.99 -0.38 -0.24 3.92 0.05 -1.14 -3.50 118.68 112.39 1o6x s LEU 13 Ca 0.56 0.82 -0.12 0.00 0.05 0.00 0.00 54.13 55.45 1o6x s LEU 13 Cb -0.11 2.26 -0.05 0.00 -2.05 0.00 0.00 46.19 46.24 1o6x s LEU 13 CO 0.43 -0.46 0.23 -1.61 -0.55 0.00 0.00 176.35 174.38 1o6x s GLU 14 N -0.71 4.06 -0.02 1.48 8.01 0.10 -3.62 118.70 128.00 1o6x s GLU 14 Ca -0.08 -0.17 0.05 0.00 0.01 0.00 0.00 54.97 54.78 1o6x s GLU 14 Cb -0.02 -3.57 -0.03 0.00 -4.31 0.00 0.00 34.13 26.20 1o6x s GLU 14 CO 0.06 -0.03 -0.16 0.42 0.01 0.00 0.00 175.26 175.56 1o6x s ILE 15 N 1.31 2.90 -0.45 -1.63 1.01 -0.30 0.13 121.20 124.17 1o6x s ILE 15 Ca 0.10 -0.88 0.03 0.00 0.00 0.00 0.00 60.65 59.90 1o6x s ILE 15 Cb -0.14 -2.15 0.13 0.00 0.01 0.00 0.00 42.46 40.30 1o6x s ILE 15 CO 0.07 0.52 0.22 -0.69 0.00 0.00 0.00 174.94 175.05 1o6x s VAL 16 N -0.78 2.01 0.50 2.92 1.01 -0.51 -1.13 120.40 124.42 1o6x s VAL 16 Ca 0.12 -2.80 -0.08 0.00 0.00 0.00 0.00 61.98 59.22 1o6x s VAL 16 Cb -0.11 -2.42 0.12 0.00 0.00 0.00 0.00 36.38 33.98 1o6x s VAL 16 CO 0.02 -0.80 0.55 -0.81 0.00 0.00 0.00 175.10 174.05 1o6x n PRO 17 N 3.52 -1.27 0.00 2.72 -0.04 -1.26 -4.43 135.00 134.24 1o6x n PRO 17 Ca 0.06 -0.86 0.00 0.00 -0.04 0.00 0.00 63.50 62.66 1o6x n PRO 17 Cb 0.35 -0.68 0.00 0.00 -0.04 0.00 0.00 33.50 33.13 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 -3.61 0.00 -4.94 3.54 2.88 -1.26 -4.11 113.62 106.12 1o6x n SER 18 Ca 0.07 0.00 -0.20 0.00 -1.33 0.00 0.00 58.87 57.41 1o6x n SER 18 Cb 0.26 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.70 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 -0.94 5.78 0.12 -3.46 -0.87 -1.26 -4.78 114.94 109.51 1o6x s ASN 19 Ca 0.00 -0.26 -0.11 0.00 -1.57 0.00 0.00 52.86 50.92 1o6x s ASN 19 Cb 0.00 -1.24 -0.11 0.00 -0.02 0.00 0.00 41.25 39.88 1o6x s ASN 19 CO 0.00 -0.34 1.35 -0.33 -2.57 0.00 0.00 177.10 175.21 1o6x h GLU 20 N 1.07 0.78 -0.93 -0.60 3.07 -1.98 -2.73 114.58 113.27 1o6x h GLU 20 Ca -0.46 -0.60 0.04 0.00 -0.50 0.00 0.00 59.36 57.84 1o6x h GLU 20 Cb 1.25 0.11 -0.06 0.00 -0.84 0.00 0.00 28.75 29.22 1o6x h GLU 20 CO 0.56 1.21 0.60 1.49 -1.40 0.00 0.00 179.01 181.47 1o6x h GLU 21 N 0.55 1.12 0.00 2.33 4.81 -1.97 0.45 114.58 121.87 1o6x h GLU 21 Ca -0.03 -0.07 -0.08 0.00 -0.13 0.00 0.00 59.36 59.05 1o6x h GLU 21 Cb 1.33 -0.25 -0.01 0.00 0.63 0.00 0.00 28.75 30.44 1o6x h GLU 21 CO 0.15 0.74 -0.40 1.96 -0.73 0.00 0.00 179.01 180.73 1o6x h GLN 22 N 1.16 0.00 0.05 1.92 4.20 -1.88 -0.89 115.11 119.66 1o6x h GLN 22 Ca 0.37 0.00 -0.24 0.00 0.06 0.00 0.00 58.65 58.84 1o6x h GLN 22 Cb 0.02 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.80 1o6x h GLN 22 CO -0.13 0.40 -1.05 0.82 -0.67 0.00 0.00 178.83 178.21 1o6x h ILE 23 N 0.00 1.46 0.00 2.54 2.04 -0.77 -3.00 117.51 119.78 1o6x h ILE 23 Ca -0.00 -2.73 0.00 0.00 1.00 0.00 0.00 64.86 63.13 1o6x h ILE 23 Cb 0.72 2.64 0.00 0.00 -0.74 0.00 0.00 36.82 39.44 1o6x h ILE 23 CO 0.05 0.80 0.00 0.50 0.00 0.00 0.00 178.15 179.51 1o6x h LYS 24 N 0.15 0.00 0.60 2.37 3.64 0.21 -3.11 116.57 120.43 1o6x h LYS 24 Ca -0.10 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.26 1o6x h LYS 24 Cb 1.72 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 33.55 1o6x h LYS 24 CO 0.17 0.00 -0.29 -0.97 -2.27 0.00 0.00 179.45 176.10 1o6x h ASN 25 N 0.00 -0.68 -0.07 4.20 -1.24 -1.03 -1.79 115.58 114.96 1o6x h ASN 25 Ca 0.00 0.02 0.02 0.00 0.71 0.00 0.00 56.30 57.06 1o6x h ASN 25 Cb 0.62 0.18 -0.05 0.00 0.73 0.00 0.00 38.32 39.79 1o6x h ASN 25 CO 0.00 -0.29 -0.48 0.25 -1.29 0.00 0.00 177.43 175.62 1o6x h LEU 26 N -1.22 -1.52 -0.86 0.34 5.85 -1.57 0.14 115.31 116.48 1o6x h LEU 26 Ca -0.08 0.18 0.16 0.00 0.84 0.00 0.00 57.88 58.97 1o6x h LEU 26 Cb 0.62 0.58 -0.16 0.00 0.37 0.00 0.00 40.66 42.08 1o6x h LEU 26 CO 0.14 -0.45 -0.28 -0.07 -0.34 0.00 0.00 178.44 177.44 1o6x h LEU 27 N -0.55 -1.03 -1.11 2.25 3.38 -1.63 1.55 115.31 118.16 1o6x h LEU 27 Ca 0.02 0.27 0.11 0.00 0.09 0.00 0.00 57.88 58.37 1o6x h LEU 27 Cb 0.62 0.60 -0.07 0.00 0.09 0.00 0.00 40.66 41.90 1o6x h LEU 27 CO -0.36 -0.29 0.61 -0.61 0.09 0.00 0.00 178.44 177.87 1o6x h GLN 28 N -0.03 0.91 0.58 1.13 -0.00 -0.22 1.02 115.11 118.51 1o6x h GLN 28 Ca 0.37 -0.05 -0.03 0.00 -0.00 0.00 0.00 58.65 58.94 1o6x h GLN 28 Cb 0.62 -0.21 0.01 0.00 0.00 0.00 0.00 27.48 27.90 1o6x h GLN 28 CO -0.89 0.60 -0.28 1.25 0.00 0.00 0.00 178.83 179.52 1o6x h LEU 29 N 0.94 -0.65 -2.41 -2.39 5.85 0.46 -2.33 115.31 114.78 1o6x h LEU 29 Ca 0.45 0.02 0.03 0.00 0.84 0.00 0.00 57.88 59.22 1o6x h LEU 29 Cb 0.45 0.17 -0.00 0.00 0.37 0.00 0.00 40.66 41.65 1o6x h LEU 29 CO -0.21 -0.35 0.14 -0.08 -0.34 0.00 0.00 178.44 177.60 1o6x h GLU 30 N -1.02 0.00 -0.42 1.25 4.22 -0.04 0.24 114.58 118.81 1o6x h GLU 30 Ca -0.08 0.00 -0.06 0.00 0.08 0.00 0.00 59.36 59.30 1o6x h GLU 30 Cb 0.59 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.83 1o6x h GLU 30 CO 0.13 0.00 0.02 0.00 -2.18 0.00 0.00 179.01 176.98 1o6x h ALA 31 N 1.80 0.56 -0.38 2.92 0.00 0.13 -3.41 119.26 120.89 1o6x h ALA 31 Ca 0.04 -0.25 -0.32 0.00 0.00 0.00 0.00 54.91 54.38 1o6x h ALA 31 Cb 0.32 -0.16 -0.06 0.00 0.00 0.00 0.00 17.79 17.90 1o6x h ALA 31 CO -0.00 0.33 1.38 1.04 0.00 0.00 0.00 179.25 182.01 1o6x n GLN 32 N -4.44 0.33 -1.53 0.00 1.13 0.07 -4.71 117.38 108.24 1o6x n GLN 32 Ca -0.00 -0.22 -0.15 0.00 -1.94 0.00 0.00 57.00 54.69 1o6x n GLN 32 Cb 0.28 -2.25 -0.11 0.00 0.11 0.00 0.00 30.24 28.26 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 7.69 0.35 0.03 -1.09 -0.58 -1.26 -2.81 120.64 122.97 1o6x n GLU 33 Ca 0.57 -0.70 0.00 0.00 -0.42 0.00 0.00 57.16 56.61 1o6x n GLU 33 Cb 0.26 -2.96 0.00 0.00 -0.57 0.00 0.00 31.44 28.17 1o6x n GLU 33 CO 0.00 0.00 0.00 0.72 -0.48 0.00 0.00 177.13 177.37 1o6x n HIS 34 N 15.12 -1.97 -0.04 -0.32 8.25 -1.26 -4.96 115.22 130.05 1o6x n HIS 34 Ca 0.50 0.19 -0.16 0.00 -0.26 0.00 0.00 57.72 57.99 1o6x n HIS 34 Cb 0.37 0.75 -0.08 0.00 1.12 0.00 0.00 29.99 32.15 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 0.66 -3.23 2.41 3.38 -1.85 -3.48 115.31 113.20 1o6x h LEU 35 Ca 0.00 -0.61 -0.40 0.00 0.09 0.00 0.00 57.88 56.96 1o6x h LEU 35 Cb 0.00 -0.19 0.07 0.00 0.09 0.00 0.00 40.66 40.62 1o6x h LEU 35 CO 0.00 1.15 -0.87 1.67 0.09 0.00 0.00 178.44 180.48 1o6x n GLN 36 N -4.22 -1.21 -2.98 1.13 7.27 -1.26 -4.95 117.38 111.15 1o6x n GLN 36 Ca -0.07 0.57 -0.31 0.00 0.07 0.00 0.00 57.00 57.26 1o6x n GLN 36 Cb 0.58 -4.00 -0.04 0.00 2.41 0.00 0.00 30.24 29.20 1o6x n GLN 36 CO 0.00 0.00 0.00 -0.51 0.07 0.00 0.00 177.06 176.62 1o6x s LEU 37 N -6.11 3.91 -0.11 1.69 1.02 -1.26 -5.08 118.68 112.74 1o6x s LEU 37 Ca 0.38 1.10 0.01 0.00 0.02 0.00 0.00 54.13 55.64 1o6x s LEU 37 Cb -0.14 -3.96 -0.02 0.00 0.02 0.00 0.00 46.19 42.09 1o6x s LEU 37 CO 0.86 -0.33 -0.13 -1.81 0.02 0.00 0.00 176.35 174.96 1o6x s ASP 38 N -2.96 4.02 -0.16 2.29 1.01 -1.26 -4.94 116.67 114.66 1o6x s ASP 38 Ca 0.51 -0.30 -0.18 0.00 0.71 0.00 0.00 52.55 53.29 1o6x s ASP 38 Cb -0.10 -1.47 -0.04 0.00 1.01 0.00 0.00 42.92 42.32 1o6x s ASP 38 CO 0.28 0.20 0.48 -0.36 0.21 0.00 0.00 175.17 175.98 1o6x s PHE 39 N 0.14 3.45 -0.03 4.23 0.08 -1.26 -3.69 117.98 120.89 1o6x s PHE 39 Ca -0.07 0.81 -0.09 0.00 0.12 0.00 0.00 56.93 57.70 1o6x s PHE 39 Cb -0.15 -2.59 -0.05 0.00 -0.57 0.00 0.00 43.02 39.66 1o6x s PHE 39 CO 0.05 0.05 0.49 -1.49 -0.10 0.00 0.00 175.22 174.22 1o6x h TRP 40 N 7.06 -0.31 -3.40 0.36 4.06 -1.82 -3.41 115.95 118.49 1o6x h TRP 40 Ca -0.38 -0.01 -0.73 0.00 2.06 0.00 0.00 58.89 59.84 1o6x h TRP 40 Cb 1.17 0.10 -0.21 0.00 -1.00 0.00 0.00 29.16 29.22 1o6x h TRP 40 CO 0.66 -0.19 -0.35 0.15 -3.56 0.00 0.00 178.44 175.15 1o6x s LYS 41 N -2.68 2.99 -0.95 0.49 1.02 -1.26 -4.94 119.74 114.41 1o6x s LYS 41 Ca -0.05 -1.15 -0.28 0.00 0.02 0.00 0.00 55.97 54.51 1o6x s LYS 41 Cb 0.00 -4.06 -0.22 0.00 -0.52 0.00 0.00 37.83 33.04 1o6x s LYS 41 CO 0.15 -0.91 2.51 -1.13 -0.92 0.00 0.00 175.35 175.05 1o6x n SER 42 N 5.26 0.15 0.00 2.83 3.41 -1.26 -4.43 113.62 119.58 1o6x n SER 42 Ca -0.11 0.12 0.08 0.00 -0.26 0.00 0.00 58.87 58.70 1o6x n SER 42 Cb 0.45 -0.84 0.50 0.00 -0.26 0.00 0.00 64.21 64.06 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 7.82 0.75 -0.27 4.33 -0.04 -1.26 -4.02 135.00 142.31 1o6x n PRO 43 Ca 0.63 0.00 0.16 0.00 -0.04 0.00 0.00 63.50 64.25 1o6x n PRO 43 Cb 0.04 -1.35 0.31 0.00 -0.04 0.00 0.00 33.50 32.46 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 -0.85 -0.34 -4.41 0.52 -1.04 -1.26 -4.32 114.28 102.58 1o6x n THR 44 Ca 0.13 1.73 -0.26 0.00 -2.04 0.00 0.00 64.05 63.61 1o6x n THR 44 Cb 0.06 -2.61 -0.10 0.00 -1.82 0.00 0.00 70.33 65.85 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 -5.58 2.60 0.91 12.58 -4.23 -1.26 -4.98 115.64 115.67 1o6x s THR 45 Ca -0.09 -2.10 -0.12 0.00 -1.18 0.00 0.00 61.69 58.20 1o6x s THR 45 Cb 0.25 -2.30 0.14 0.00 1.34 0.00 0.00 72.50 71.92 1o6x s THR 45 CO 0.63 -0.23 1.14 -2.16 -0.54 0.00 0.00 174.62 173.46 1o6x s PRO 46 N -3.05 1.18 0.00 3.99 0.04 -1.26 -3.91 135.00 131.99 1o6x s PRO 46 Ca 0.25 0.30 0.00 0.00 0.04 0.00 0.00 61.00 61.59 1o6x s PRO 46 Cb -0.07 -1.84 0.00 0.00 0.04 0.00 0.00 34.50 32.63 1o6x s PRO 46 CO 0.13 -2.17 0.00 0.41 0.04 0.00 0.00 177.00 175.41 1o6x n GLY 47 N -2.22 3.02 3.33 0.56 0.00 -1.26 -4.97 105.19 103.66 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 -0.27 2.72 0.62 1.61 -1.05 -1.25 -5.03 118.70 116.04 1o6x s GLU 48 Ca 0.00 -1.22 -0.19 0.00 -0.15 0.00 0.00 54.97 53.41 1o6x s GLU 48 Cb 0.00 -3.71 -0.03 0.00 -0.44 0.00 0.00 34.13 29.95 1o6x s GLU 48 CO 0.00 -0.78 1.20 0.25 0.95 0.00 0.00 175.26 176.88 1o6x n THR 49 N 4.95 4.37 -4.23 1.83 -2.24 -1.26 -4.64 114.28 113.06 1o6x n THR 49 Ca -0.11 -0.50 -0.30 0.00 -2.27 0.00 0.00 64.05 60.87 1o6x n THR 49 Cb 0.45 -1.41 -0.09 0.00 -2.10 0.00 0.00 70.33 67.18 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 -1.41 3.05 -0.35 6.98 0.00 -0.29 -4.39 121.76 125.35 1o6x s ALA 50 Ca 0.79 -1.19 0.01 0.00 0.00 0.00 0.00 51.96 51.57 1o6x s ALA 50 Cb -0.40 -1.00 0.14 0.00 0.00 0.00 0.00 23.12 21.86 1o6x s ALA 50 CO 0.44 0.66 0.27 -1.01 0.00 0.00 0.00 175.76 176.11 1o6x s HIS 51 N -1.22 0.29 0.02 0.00 3.76 -1.25 -1.15 115.29 115.74 1o6x s HIS 51 Ca 0.22 -1.25 0.03 0.00 -0.15 0.00 0.00 55.06 53.91 1o6x s HIS 51 Cb -0.11 -0.71 -0.04 0.00 1.11 0.00 0.00 32.58 32.83 1o6x s HIS 51 CO 0.14 -0.88 -0.04 0.54 -0.85 0.00 0.00 174.74 173.65 1o6x s VAL 52 N 1.29 3.84 -1.06 -0.90 0.11 -1.24 -2.16 120.40 120.29 1o6x s VAL 52 Ca 0.17 -0.76 -0.21 0.00 -2.93 0.00 0.00 61.98 58.25 1o6x s VAL 52 Cb -0.20 -2.71 0.08 0.00 -1.53 0.00 0.00 36.38 32.03 1o6x s VAL 52 CO -0.03 0.35 1.42 -0.13 -3.33 0.00 0.00 175.10 173.37 1o6x s ARG 53 N -1.59 3.69 0.23 1.54 0.52 -1.24 -2.91 118.95 119.19 1o6x s ARG 53 Ca 0.19 -1.50 -0.27 0.00 -0.52 0.00 0.00 55.73 53.63 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 0.10 -2.09 0.88 0.54 0.02 0.00 0.00 175.30 174.74 1o6x s VAL 54 N 4.13 4.22 0.18 3.52 0.11 0.36 -4.61 120.40 128.31 1o6x s VAL 54 Ca 0.44 1.87 -0.30 0.00 -2.93 0.00 0.00 61.98 61.06 1o6x s VAL 54 Cb -0.01 -4.18 -0.08 0.00 -1.53 0.00 0.00 36.38 30.59 1o6x s VAL 54 CO -0.06 0.42 1.12 -2.16 -3.33 0.00 0.00 175.10 171.08 1o6x s PRO 55 N -1.39 4.58 0.34 1.54 0.04 -1.26 0.11 135.00 138.95 1o6x s PRO 55 Ca 0.41 1.75 0.12 0.00 0.04 0.00 0.00 61.00 63.31 1o6x s PRO 55 Cb -0.23 -3.27 0.92 0.00 0.04 0.00 0.00 34.50 31.96 1o6x s PRO 55 CO 0.28 0.05 1.76 0.35 0.04 0.00 0.00 177.00 179.48 1o6x h PHE 56 N 5.11 0.90 0.00 0.56 3.57 -1.67 2.01 116.94 127.43 1o6x h PHE 56 Ca -0.44 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.08 1o6x h PHE 56 Cb 1.21 -0.26 -0.00 0.00 2.79 0.00 0.00 35.95 39.69 1o6x h PHE 56 CO 0.62 0.12 -0.02 -0.24 -2.23 0.00 0.00 178.31 176.56 1o6x h VAL 57 N 0.57 0.06 -0.12 1.41 3.04 -1.92 -1.23 116.25 118.07 1o6x h VAL 57 Ca 0.60 -0.36 0.00 0.00 -1.01 0.00 0.00 66.70 65.93 1o6x h VAL 57 Cb 1.21 1.33 0.00 0.00 -2.01 0.00 0.00 31.29 31.83 1o6x h VAL 57 CO -0.38 0.02 0.00 -3.20 -1.01 0.00 0.00 177.57 173.00 1o6x n ASN 58 N -3.14 2.40 0.08 3.17 2.85 0.57 -4.55 115.26 116.64 1o6x n ASN 58 Ca -0.01 -2.15 -0.10 0.00 -0.11 0.00 0.00 54.58 52.21 1o6x n ASN 58 Cb 0.22 -0.13 -0.03 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 0.70 1.47 0.27 3.44 2.07 0.31 -2.59 116.25 121.91 1o6x h VAL 59 Ca 0.00 -2.59 -0.01 0.00 0.82 0.00 0.00 66.70 64.92 1o6x h VAL 59 Cb 0.66 2.47 0.00 0.00 -1.52 0.00 0.00 31.29 32.90 1o6x h VAL 59 CO 0.01 0.76 -0.13 -0.61 0.02 0.00 0.00 177.57 177.62 1o6x h GLN 60 N 0.14 -0.35 -1.16 1.57 5.75 -1.80 0.29 115.11 119.55 1o6x h GLN 60 Ca -0.06 0.02 0.33 0.00 -0.15 0.00 0.00 58.65 58.80 1o6x h GLN 60 Cb 1.55 0.08 -0.06 0.00 1.07 0.00 0.00 27.48 30.12 1o6x h GLN 60 CO 0.15 -0.23 0.81 0.00 -2.65 0.00 0.00 178.83 176.91 1o6x h ALA 61 N -1.44 2.93 0.06 3.38 0.00 -1.83 0.79 119.26 123.15 1o6x h ALA 61 Ca -0.04 -0.02 -0.18 0.00 0.00 0.00 0.00 54.91 54.68 1o6x h ALA 61 Cb 0.27 0.08 0.02 0.00 0.00 0.00 0.00 17.79 18.16 1o6x h ALA 61 CO 0.06 -1.29 -0.74 0.28 0.00 0.00 0.00 179.25 177.56 1o6x h VAL 62 N 0.08 1.45 -0.36 0.00 2.07 -1.45 -1.81 116.25 116.23 1o6x h VAL 62 Ca 0.58 -2.29 0.04 0.00 0.82 0.00 0.00 66.70 65.85 1o6x h VAL 62 Cb 2.12 2.83 -0.02 0.00 -1.52 0.00 0.00 31.29 34.70 1o6x h VAL 62 CO -0.08 0.66 0.24 0.11 0.02 0.00 0.00 177.57 178.53 1o6x h LYS 63 N -0.17 0.33 0.04 1.57 1.57 0.42 0.82 116.57 121.14 1o6x h LYS 63 Ca -0.11 -0.02 -0.23 0.00 -1.87 0.00 0.00 60.65 58.41 1o6x h LYS 63 Cb 1.50 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 33.73 1o6x h LYS 63 CO 0.14 0.22 -1.02 0.28 -0.57 0.00 0.00 179.45 178.50 1o6x h VAL 64 N 0.34 1.45 0.55 0.50 2.07 -0.37 -3.14 116.25 117.64 1o6x h VAL 64 Ca 0.15 -2.65 -0.03 0.00 0.82 0.00 0.00 66.70 64.99 1o6x h VAL 64 Cb 0.18 2.58 0.01 0.00 -1.52 0.00 0.00 31.29 32.54 1o6x h VAL 64 CO -0.03 0.78 -0.27 0.15 0.02 0.00 0.00 177.57 178.22 1o6x h PHE 65 N 0.16 -0.69 -0.55 1.57 3.57 -0.09 0.11 116.94 121.03 1o6x h PHE 65 Ca -0.09 -0.02 0.08 0.00 3.53 0.00 0.00 57.97 61.48 1o6x h PHE 65 Cb 1.68 0.23 -0.10 0.00 2.79 0.00 0.00 35.95 40.54 1o6x h PHE 65 CO 0.06 -0.37 -0.43 -0.07 -2.23 0.00 0.00 178.31 175.27 1o6x h LEU 66 N -0.93 -1.46 -0.45 0.59 3.38 -1.04 0.60 115.31 116.00 1o6x h LEU 66 Ca -0.08 0.24 0.05 0.00 0.09 0.00 0.00 57.88 58.18 1o6x h LEU 66 Cb 0.63 0.66 -0.05 0.00 0.09 0.00 0.00 40.66 42.00 1o6x h LEU 66 CO 0.12 -0.34 0.19 -0.33 0.09 0.00 0.00 178.44 178.17 1o6x h GLU 67 N -0.24 0.36 -0.65 1.13 4.39 -1.52 0.72 114.58 118.77 1o6x h GLU 67 Ca 0.17 -0.02 0.09 0.00 0.34 0.00 0.00 59.36 59.95 1o6x h GLU 67 Cb 0.57 -0.08 -0.07 0.00 -0.10 0.00 0.00 28.75 29.06 1o6x h GLU 67 CO -0.67 0.24 0.28 0.66 -1.16 0.00 0.00 179.01 178.36 1o6x h SER 68 N 0.38 0.32 0.00 1.42 4.64 0.20 0.68 113.55 121.18 1o6x h SER 68 Ca 0.20 0.07 0.00 0.00 -0.47 0.00 0.00 61.79 61.59 1o6x h SER 68 Cb 0.16 0.03 0.00 0.00 -0.31 0.00 0.00 62.40 62.28 1o6x h SER 68 CO -0.18 0.18 0.00 0.00 -0.87 0.00 0.00 176.83 175.96 1o6x n GLN 69 N -4.95 0.93 -3.68 4.77 10.64 0.18 -4.87 117.38 120.40 1o6x n GLN 69 Ca 0.10 0.00 -0.21 0.00 -1.83 0.00 0.00 57.00 55.05 1o6x n GLN 69 Cb 0.28 -1.23 0.04 0.00 -0.86 0.00 0.00 30.24 28.46 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 0.63 -0.30 3.91 2.61 0.00 0.24 -4.88 105.19 107.39 1o6x n GLY 70 Ca 0.10 0.13 -0.26 0.00 0.00 0.00 0.00 46.02 46.00 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 -3.65 1.73 -0.10 -0.61 2.07 0.11 -5.00 121.20 115.74 1o6x s ILE 71 Ca 0.01 -1.46 -0.00 0.00 -1.41 0.00 0.00 60.65 57.78 1o6x s ILE 71 Cb -0.00 -2.19 0.02 0.00 0.13 0.00 0.00 42.46 40.42 1o6x s ILE 71 CO 0.81 0.00 -0.08 0.00 -1.91 0.00 0.00 174.94 173.76 1o6x s ALA 72 N -2.75 1.27 0.00 1.50 0.00 -1.26 -4.56 121.76 115.95 1o6x s ALA 72 Ca 0.36 -0.49 0.00 0.00 0.00 0.00 0.00 51.96 51.83 1o6x s ALA 72 Cb -0.02 -0.83 0.00 0.00 0.00 0.00 0.00 23.12 22.26 1o6x s ALA 72 CO 0.22 -0.32 0.00 2.48 0.00 0.00 0.00 175.76 178.14 1o6x n TYR 73 N 4.75 0.00 -3.48 0.00 4.11 -1.26 -1.42 117.16 119.85 1o6x n TYR 73 Ca -0.14 0.00 -0.11 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 -0.97 -0.49 -0.42 9.48 0.15 0.35 -4.92 113.70 116.88 1o6x s SER 74 Ca 0.00 -0.06 -0.15 0.00 0.70 0.00 0.00 55.95 56.44 1o6x s SER 74 Cb 0.00 0.57 0.02 0.00 -1.71 0.00 0.00 66.02 64.90 1o6x s SER 74 CO 0.00 -0.93 0.32 -0.63 1.20 0.00 0.00 173.24 173.20 1o6x s ILE 75 N -3.63 5.24 -0.00 6.45 1.09 -1.26 0.00 121.20 129.08 1o6x s ILE 75 Ca 0.03 -0.65 -0.00 0.00 -1.10 0.00 0.00 60.65 58.92 1o6x s ILE 75 Cb -0.01 -3.96 -0.00 0.00 -1.06 0.00 0.00 42.46 37.42 1o6x s ILE 75 CO -0.10 -0.35 0.38 -0.03 -0.10 0.00 0.00 174.94 174.74 1o6x h MET 76 N 8.65 -0.02 -4.90 2.79 4.05 -1.89 -3.47 114.93 120.15 1o6x h MET 76 Ca -0.27 0.00 -0.46 0.00 -0.28 0.00 0.00 59.70 58.69 1o6x h MET 76 Cb 1.12 0.00 -0.30 0.00 -0.80 0.00 0.00 31.60 31.62 1o6x h MET 76 CO 0.75 -0.01 -0.80 -1.50 0.23 0.00 0.00 176.91 175.58 1o6x s ILE 77 N -1.78 0.95 0.00 1.77 1.10 -1.26 -5.06 121.20 116.92 1o6x s ILE 77 Ca -0.00 -0.48 0.00 0.00 -0.51 0.00 0.00 60.65 59.66 1o6x s ILE 77 Cb 0.00 -0.82 0.00 0.00 0.15 0.00 0.00 42.46 41.79 1o6x s ILE 77 CO 0.01 0.28 0.00 -1.84 -2.11 0.00 0.00 174.94 171.28 1o6x n GLU 78 N 3.06 3.38 -3.22 3.50 0.28 -1.26 -3.64 120.64 122.74 1o6x n GLU 78 Ca -0.16 0.00 0.01 0.00 -0.16 0.00 0.00 57.16 56.85 1o6x n GLU 78 Cb 0.55 0.00 -0.03 0.00 1.43 0.00 0.00 31.44 33.39 1o6x n GLU 78 CO 0.00 0.00 0.00 0.34 -0.16 0.00 0.00 177.13 177.31 1o6x s ASP 79 N -1.00 -1.05 -0.28 -1.84 2.15 -1.26 -4.86 116.67 108.53 1o6x s ASP 79 Ca 0.00 0.79 -0.09 0.00 0.43 0.00 0.00 52.55 53.68 1o6x s ASP 79 Cb 0.00 1.97 -0.03 0.00 -0.30 0.00 0.00 42.92 44.56 1o6x s ASP 79 CO 0.00 -0.26 0.13 0.54 -0.17 0.00 0.00 175.17 175.40 1o6x s VAL 80 N 2.80 4.67 -0.31 1.11 0.11 -1.26 -5.17 120.40 122.35 1o6x s VAL 80 Ca 0.18 -0.15 0.00 0.00 -2.93 0.00 0.00 61.98 59.08 1o6x s VAL 80 Cb -0.15 -3.25 0.00 0.00 -1.53 0.00 0.00 36.38 31.45 1o6x s VAL 80 CO -0.20 0.24 0.08 1.67 -3.33 0.00 0.00 175.10 173.56