#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 0.38 -3.83 0.03 3.00 -1.26 -5.16 116.66 109.82 1o6x n ARG 2 Ca 0.00 -1.13 -0.06 0.00 -0.00 0.00 0.00 57.85 56.66 1o6x n ARG 2 Cb 0.00 -0.70 0.01 0.00 0.00 0.00 0.00 32.46 31.77 1o6x n ARG 2 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.63 176.09 1o6x s SER 3 N -0.67 -0.04 0.49 6.15 1.04 -1.26 -5.18 113.70 114.23 1o6x s SER 3 Ca 0.28 -0.88 0.06 0.00 0.48 0.00 0.00 55.95 55.89 1o6x s SER 3 Cb 0.20 0.70 0.01 0.00 0.10 0.00 0.00 66.02 67.03 1o6x s SER 3 CO -0.14 -1.38 0.35 -0.76 0.98 0.00 0.00 173.24 172.29 1o6x s LEU 4 N -3.15 2.92 0.22 2.42 1.02 -1.26 -5.14 118.68 115.72 1o6x s LEU 4 Ca 0.17 -1.11 0.10 0.00 0.02 0.00 0.00 54.13 53.30 1o6x s LEU 4 Cb -0.04 -1.42 -0.04 0.00 0.02 0.00 0.00 46.19 44.71 1o6x s LEU 4 CO 0.08 -0.90 -0.12 -0.70 0.02 0.00 0.00 176.35 174.74 1o6x s GLU 5 N -4.17 1.95 0.48 1.70 2.12 -1.26 -5.15 118.70 114.37 1o6x s GLU 5 Ca 0.38 -1.45 0.03 0.00 0.36 0.00 0.00 54.97 54.29 1o6x s GLU 5 Cb -0.01 -2.03 -0.03 0.00 0.26 0.00 0.00 34.13 32.31 1o6x s GLU 5 CO 0.23 0.39 0.01 0.95 -0.54 0.00 0.00 175.26 176.30 1o6x s THR 6 N -2.02 1.44 0.11 -1.70 -4.23 -1.26 -5.16 115.64 102.83 1o6x s THR 6 Ca 0.27 -1.99 -0.11 0.00 -1.18 0.00 0.00 61.69 58.68 1o6x s THR 6 Cb -0.07 -2.43 0.04 0.00 1.34 0.00 0.00 72.50 71.38 1o6x s THR 6 CO 0.15 0.00 0.55 0.49 -0.54 0.00 0.00 174.62 175.27 1o6x n PHE 7 N -1.18 -1.10 -1.93 3.99 3.72 -1.26 -5.19 117.46 114.52 1o6x n PHE 7 Ca -0.14 -0.74 0.00 0.00 -0.05 0.00 0.00 57.45 56.52 1o6x n PHE 7 Cb 0.67 0.36 0.00 0.00 -0.94 0.00 0.00 39.48 39.57 1o6x n PHE 7 CO 0.00 0.00 0.00 1.55 -0.05 0.00 0.00 176.76 178.26 1o6x n VAL 8 N -0.38 0.00 -3.74 -4.37 3.14 -1.26 -5.17 118.33 106.55 1o6x n VAL 8 Ca -0.02 0.00 -0.18 0.00 -2.96 0.00 0.00 64.34 61.19 1o6x n VAL 8 Cb 0.32 0.00 -0.17 0.00 -1.06 0.00 0.00 33.84 32.93 1o6x n VAL 8 CO 0.00 0.00 0.00 -0.83 -6.46 0.00 0.00 176.83 169.54 1o6x s GLY 9 N 0.00 0.17 0.55 7.55 0.00 -1.26 -5.12 107.32 109.22 1o6x s GLY 9 Ca 0.00 0.23 -0.09 0.00 0.00 0.00 0.00 44.72 44.85 1o6x s GLY 9 CO 0.00 1.00 0.65 1.22 0.00 0.00 0.00 173.10 175.96 1o6x n ASP 10 N 4.69 -0.49 -3.61 1.64 9.92 -1.26 -3.00 116.55 124.43 1o6x n ASP 10 Ca -0.17 -1.11 -0.07 0.00 -0.53 0.00 0.00 54.79 52.91 1o6x n ASP 10 Cb 0.50 -0.52 -0.05 0.00 -0.64 0.00 0.00 41.12 40.41 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 0.39 0.39 -1.24 2.00 0.48 -4.67 119.66 112.57 1o6x s GLN 11 Ca 0.38 0.14 0.07 0.00 -2.00 0.00 0.00 55.36 53.96 1o6x s GLN 11 Cb -0.02 0.18 0.00 0.00 0.80 0.00 0.00 33.01 33.98 1o6x s GLN 11 CO 0.28 -0.11 0.53 0.08 -0.50 0.00 0.00 175.29 175.56 1o6x s VAL 12 N -0.88 3.42 -0.13 1.34 1.01 -1.26 0.11 120.40 124.02 1o6x s VAL 12 Ca 0.03 -1.00 -0.22 0.00 0.00 0.00 0.00 61.98 60.78 1o6x s VAL 12 Cb -0.01 -3.16 0.05 0.00 0.00 0.00 0.00 36.38 33.26 1o6x s VAL 12 CO -0.03 -0.06 0.55 -1.48 0.00 0.00 0.00 175.10 174.08 1o6x s LEU 13 N -4.28 -0.13 -0.23 3.92 0.05 -1.13 -3.43 118.68 113.46 1o6x s LEU 13 Ca 0.51 0.82 -0.12 0.00 0.05 0.00 0.00 54.13 55.39 1o6x s LEU 13 Cb -0.10 2.00 -0.05 0.00 -2.05 0.00 0.00 46.19 46.00 1o6x s LEU 13 CO 0.32 -0.37 0.24 -1.83 -0.55 0.00 0.00 176.35 174.16 1o6x s GLU 14 N -0.46 4.10 0.02 1.48 -1.05 0.14 -3.56 118.70 119.38 1o6x s GLU 14 Ca -0.06 -0.12 0.05 0.00 -0.15 0.00 0.00 54.97 54.69 1o6x s GLU 14 Cb -0.03 -3.55 -0.03 0.00 -0.44 0.00 0.00 34.13 30.08 1o6x s GLU 14 CO 0.04 0.01 -0.14 0.42 0.95 0.00 0.00 175.26 176.55 1o6x s ILE 15 N 1.18 3.11 -0.34 1.83 1.01 -0.37 0.86 121.20 128.49 1o6x s ILE 15 Ca 0.11 -1.01 -0.00 0.00 0.00 0.00 0.00 60.65 59.75 1o6x s ILE 15 Cb -0.14 -2.32 0.11 0.00 0.01 0.00 0.00 42.46 40.12 1o6x s ILE 15 CO 0.06 0.37 0.14 -0.69 0.00 0.00 0.00 174.94 174.82 1o6x s VAL 16 N -0.94 0.83 0.64 2.92 1.01 0.12 -1.31 120.40 123.67 1o6x s VAL 16 Ca 0.15 -1.60 -0.11 0.00 0.00 0.00 0.00 61.98 60.43 1o6x s VAL 16 Cb -0.11 -1.62 0.15 0.00 0.00 0.00 0.00 36.38 34.80 1o6x s VAL 16 CO 0.06 -0.75 0.70 -0.81 0.00 0.00 0.00 175.10 174.30 1o6x n PRO 17 N 4.56 -1.49 0.00 2.72 -0.04 -1.26 -4.11 135.00 135.37 1o6x n PRO 17 Ca 0.01 -1.11 0.00 0.00 -0.04 0.00 0.00 63.50 62.36 1o6x n PRO 17 Cb 0.40 -0.87 0.00 0.00 -0.04 0.00 0.00 33.50 32.99 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 -3.79 0.00 -4.89 3.54 2.88 -1.26 -4.37 113.62 105.73 1o6x n SER 18 Ca 0.09 0.00 -0.20 0.00 -1.33 0.00 0.00 58.87 57.43 1o6x n SER 18 Cb 0.34 0.07 -0.03 0.00 -0.75 0.00 0.00 64.21 63.84 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 -1.19 5.11 0.06 -3.46 0.01 -1.26 -4.87 114.94 109.34 1o6x s ASN 19 Ca 0.00 -0.71 0.00 0.00 -0.71 0.00 0.00 52.86 51.44 1o6x s ASN 19 Cb 0.00 -0.58 -0.26 0.00 0.41 0.00 0.00 41.25 40.82 1o6x s ASN 19 CO 0.00 -0.67 1.06 -0.33 -1.51 0.00 0.00 177.10 175.65 1o6x h GLU 20 N 0.98 0.18 -0.63 -0.60 5.08 -1.98 -2.98 114.58 114.63 1o6x h GLU 20 Ca -0.41 -0.30 -0.01 0.00 -1.00 0.00 0.00 59.36 57.63 1o6x h GLU 20 Cb 1.27 0.11 -0.03 0.00 0.50 0.00 0.00 28.75 30.60 1o6x h GLU 20 CO 0.56 1.08 0.34 1.49 -1.00 0.00 0.00 179.01 181.48 1o6x h GLU 21 N 0.05 0.88 -0.42 2.33 4.81 -1.96 1.48 114.58 121.75 1o6x h GLU 21 Ca -0.15 -0.11 -0.09 0.00 -0.13 0.00 0.00 59.36 58.88 1o6x h GLU 21 Cb 1.94 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 31.13 1o6x h GLU 21 CO 0.16 0.68 -0.10 1.96 -0.73 0.00 0.00 179.01 180.98 1o6x h GLN 22 N 0.86 0.81 -0.22 1.92 4.20 -1.81 -1.73 115.11 119.14 1o6x h GLN 22 Ca 0.22 -0.31 -0.17 0.00 0.06 0.00 0.00 58.65 58.46 1o6x h GLN 22 Cb 0.05 -0.05 -0.00 0.00 0.30 0.00 0.00 27.48 27.78 1o6x h GLN 22 CO -0.03 0.93 -0.54 0.82 -0.67 0.00 0.00 178.83 179.33 1o6x h ILE 23 N 0.64 1.31 0.00 2.54 2.04 -1.31 -2.41 117.51 120.32 1o6x h ILE 23 Ca 0.11 -1.77 0.00 0.00 1.00 0.00 0.00 64.86 64.20 1o6x h ILE 23 Cb 0.63 1.72 0.00 0.00 -0.74 0.00 0.00 36.82 38.43 1o6x h ILE 23 CO 0.04 0.56 0.00 0.50 0.00 0.00 0.00 178.15 179.25 1o6x h LYS 24 N 0.50 0.00 -0.02 2.37 3.64 0.22 -2.26 116.57 121.02 1o6x h LYS 24 Ca 0.01 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.37 1o6x h LYS 24 Cb 1.10 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.92 1o6x h LYS 24 CO 0.11 0.00 -0.09 -0.97 -2.27 0.00 0.00 179.45 176.23 1o6x h ASN 25 N 0.00 0.11 0.36 4.20 -0.73 -0.79 -2.89 115.58 115.85 1o6x h ASN 25 Ca 0.00 -0.65 -0.00 0.00 1.87 0.00 0.00 56.30 57.52 1o6x h ASN 25 Cb 0.25 -0.03 -0.03 0.00 0.27 0.00 0.00 38.32 38.77 1o6x h ASN 25 CO 0.00 0.74 -0.47 0.25 -0.37 0.00 0.00 177.43 177.59 1o6x h LEU 26 N -0.51 -1.31 -0.90 0.34 5.85 -1.33 -0.47 115.31 116.98 1o6x h LEU 26 Ca -0.00 0.12 0.15 0.00 0.84 0.00 0.00 57.88 58.99 1o6x h LEU 26 Cb 0.74 0.45 -0.16 0.00 0.37 0.00 0.00 40.66 42.06 1o6x h LEU 26 CO 0.02 -0.60 -0.33 -0.07 -0.34 0.00 0.00 178.44 177.12 1o6x h LEU 27 N -0.87 -1.20 -1.08 2.25 3.38 -1.58 1.65 115.31 117.85 1o6x h LEU 27 Ca -0.03 0.28 0.12 0.00 0.09 0.00 0.00 57.88 58.34 1o6x h LEU 27 Cb 0.79 0.67 -0.08 0.00 0.09 0.00 0.00 40.66 42.13 1o6x h LEU 27 CO -0.12 -0.30 0.62 -0.61 0.09 0.00 0.00 178.44 178.12 1o6x h GLN 28 N -0.03 0.91 0.52 1.13 -0.00 -1.16 0.41 115.11 116.90 1o6x h GLN 28 Ca 0.35 -0.05 -0.03 0.00 -0.00 0.00 0.00 58.65 58.92 1o6x h GLN 28 Cb 0.61 -0.21 0.01 0.00 0.00 0.00 0.00 27.48 27.89 1o6x h GLN 28 CO -0.92 0.60 -0.25 1.25 0.00 0.00 0.00 178.83 179.52 1o6x h LEU 29 N 0.94 -0.59 -1.95 -2.39 5.85 0.38 -2.85 115.31 114.71 1o6x h LEU 29 Ca 0.47 0.02 0.22 0.00 0.84 0.00 0.00 57.88 59.44 1o6x h LEU 29 Cb 0.49 0.15 -0.03 0.00 0.37 0.00 0.00 40.66 41.65 1o6x h LEU 29 CO -0.24 -0.30 0.62 -0.08 -0.34 0.00 0.00 178.44 178.10 1o6x h GLU 30 N -0.93 0.00 -0.42 1.25 4.22 0.13 0.35 114.58 119.17 1o6x h GLU 30 Ca -0.07 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.37 1o6x h GLU 30 Cb 0.53 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.76 1o6x h GLU 30 CO 0.12 0.00 0.27 0.00 -2.18 0.00 0.00 179.01 177.22 1o6x h ALA 31 N 1.48 0.53 -0.71 2.92 0.00 0.02 -3.39 119.26 120.11 1o6x h ALA 31 Ca 0.37 -0.04 -0.48 0.00 0.00 0.00 0.00 54.91 54.76 1o6x h ALA 31 Cb 1.61 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 19.18 1o6x h ALA 31 CO -0.00 0.00 1.71 1.04 0.00 0.00 0.00 179.25 181.99 1o6x n GLN 32 N -4.78 0.46 -0.23 0.00 1.13 0.12 -4.69 117.38 109.39 1o6x n GLN 32 Ca 0.01 -0.01 0.31 0.00 -1.94 0.00 0.00 57.00 55.37 1o6x n GLN 32 Cb 0.03 -2.37 0.61 0.00 0.11 0.00 0.00 30.24 28.63 1o6x n GLN 32 CO 0.00 0.00 0.00 1.05 -1.44 0.00 0.00 177.06 176.67 1o6x h GLU 33 N 15.41 0.00 -0.14 -1.09 4.11 -1.85 1.61 114.58 132.63 1o6x h GLU 33 Ca -0.13 0.00 -0.12 0.00 0.07 0.00 0.00 59.36 59.18 1o6x h GLU 33 Cb 1.29 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.54 1o6x h GLU 33 CO 1.29 0.00 -0.37 0.45 0.07 0.00 0.00 179.01 180.45 1o6x h HIS 34 N 0.00 0.64 -1.89 2.06 -0.00 -1.92 -3.21 115.15 110.83 1o6x h HIS 34 Ca 0.50 -0.25 -0.75 0.00 -0.00 0.00 0.00 60.37 59.87 1o6x h HIS 34 Cb 2.53 -0.11 -0.28 0.00 -0.00 0.00 0.00 27.41 29.54 1o6x h HIS 34 CO 0.00 0.99 0.92 1.28 -0.00 0.00 0.00 177.93 181.12 1o6x n LEU 35 N -4.33 7.34 -3.37 2.43 4.77 0.54 -4.88 117.00 119.52 1o6x n LEU 35 Ca -0.07 -4.83 -0.30 0.00 -0.03 0.00 0.00 56.01 50.78 1o6x n LEU 35 Cb 0.52 -1.02 -0.05 0.00 -2.33 0.00 0.00 43.42 40.54 1o6x n LEU 35 CO 0.44 1.78 1.92 0.00 -1.33 0.00 0.00 177.39 180.20 1o6x n GLN 36 N -0.56 1.22 -2.02 3.23 6.02 -0.81 -4.25 117.38 120.21 1o6x n GLN 36 Ca 0.54 -1.39 -0.34 0.00 -0.01 0.00 0.00 57.00 55.80 1o6x n GLN 36 Cb 0.29 -2.56 0.02 0.00 1.02 0.00 0.00 30.24 29.01 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 0.47 3.59 -0.28 1.08 1.02 -1.26 -5.01 118.68 118.28 1o6x s LEU 37 Ca 0.45 2.11 -0.07 0.00 0.02 0.00 0.00 54.13 56.63 1o6x s LEU 37 Cb 0.11 -4.57 -0.01 0.00 0.02 0.00 0.00 46.19 41.75 1o6x s LEU 37 CO 0.09 -1.42 0.08 -1.81 0.02 0.00 0.00 176.35 173.31 1o6x s ASP 38 N -2.12 5.13 -0.14 2.29 1.11 -1.26 -4.92 116.67 116.76 1o6x s ASP 38 Ca 0.70 -0.51 -0.20 0.00 0.18 0.00 0.00 52.55 52.73 1o6x s ASP 38 Cb -0.23 -1.90 -0.04 0.00 1.07 0.00 0.00 42.92 41.83 1o6x s ASP 38 CO 0.34 -0.13 0.56 -0.36 1.18 0.00 0.00 175.17 176.75 1o6x s PHE 39 N 1.55 3.46 0.06 4.23 0.08 -1.26 -3.99 117.98 122.11 1o6x s PHE 39 Ca 0.04 0.93 -0.17 0.00 0.12 0.00 0.00 56.93 57.86 1o6x s PHE 39 Cb -0.16 -2.68 -0.15 0.00 -0.57 0.00 0.00 43.02 39.46 1o6x s PHE 39 CO 0.03 0.02 1.29 -1.49 -0.10 0.00 0.00 175.22 174.97 1o6x h TRP 40 N 7.06 0.73 -3.78 0.36 4.06 -1.87 -3.40 115.95 119.10 1o6x h TRP 40 Ca -0.37 -0.29 -0.67 0.00 2.06 0.00 0.00 58.89 59.62 1o6x h TRP 40 Cb 1.17 -0.13 -0.36 0.00 -1.00 0.00 0.00 29.16 28.84 1o6x h TRP 40 CO 0.66 1.05 -0.74 0.15 -3.56 0.00 0.00 178.44 176.00 1o6x s LYS 41 N -3.90 2.13 -0.87 0.49 1.02 -1.26 -4.94 119.74 112.41 1o6x s LYS 41 Ca -0.13 -1.46 -0.32 0.00 0.02 0.00 0.00 55.97 54.08 1o6x s LYS 41 Cb 0.06 -3.07 -0.20 0.00 -0.52 0.00 0.00 37.83 34.10 1o6x s LYS 41 CO 0.82 -0.69 2.59 -1.13 -0.92 0.00 0.00 175.35 176.02 1o6x n SER 42 N 4.46 0.59 0.00 2.83 3.41 -1.26 -4.49 113.62 119.15 1o6x n SER 42 Ca -0.10 0.19 0.12 0.00 -0.26 0.00 0.00 58.87 58.82 1o6x n SER 42 Cb 0.42 -0.99 0.65 0.00 -0.26 0.00 0.00 64.21 64.03 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 8.41 0.55 -0.57 4.33 -0.04 -1.26 -3.82 135.00 142.59 1o6x n PRO 43 Ca 0.61 0.03 0.45 0.00 -0.04 0.00 0.00 63.50 64.55 1o6x n PRO 43 Cb 0.07 -1.50 0.71 0.00 -0.04 0.00 0.00 33.50 32.75 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 -1.14 -0.10 -4.39 0.52 -1.04 -1.26 -4.25 114.28 102.62 1o6x n THR 44 Ca 0.15 1.52 -0.25 0.00 -2.04 0.00 0.00 64.05 63.43 1o6x n THR 44 Cb 0.13 -2.51 -0.11 0.00 -1.82 0.00 0.00 70.33 66.02 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 -4.90 2.13 0.00 12.58 -4.23 -1.25 -4.92 115.64 115.06 1o6x s THR 45 Ca -0.06 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.45 1o6x s THR 45 Cb 0.27 -2.01 0.00 0.00 1.34 0.00 0.00 72.50 72.10 1o6x s THR 45 CO 0.81 -0.21 0.00 -0.81 -0.54 0.00 0.00 174.62 173.86 1o6x n PRO 46 N 0.24 -0.10 -1.52 3.99 -0.04 -1.26 -4.08 135.00 132.22 1o6x n PRO 46 Ca -0.12 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.24 1o6x n PRO 46 Cb 0.57 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.99 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 3.77 0.64 2.65 0.55 0.00 -1.26 -4.87 105.19 106.66 1o6x n GLY 47 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 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 -3.28 0.14 0.38 1.61 2.02 -1.26 -5.10 118.70 113.21 1o6x s GLU 48 Ca 0.00 -0.03 -0.27 0.00 0.02 0.00 0.00 54.97 54.69 1o6x s GLU 48 Cb 0.00 -1.58 -0.09 0.00 0.10 0.00 0.00 34.13 32.56 1o6x s GLU 48 CO 0.00 -0.59 1.23 0.95 0.02 0.00 0.00 175.26 176.88 1o6x s THR 49 N 2.10 2.93 0.17 3.63 -4.23 -1.26 -4.55 115.64 114.43 1o6x s THR 49 Ca 0.02 0.84 0.08 0.00 -1.18 0.00 0.00 61.69 61.45 1o6x s THR 49 Cb -0.15 -3.50 -0.04 0.00 1.34 0.00 0.00 72.50 70.15 1o6x s THR 49 CO -0.08 0.13 -0.05 0.00 -0.54 0.00 0.00 174.62 174.09 1o6x s ALA 50 N -1.29 3.08 -0.33 3.99 0.00 -0.43 -4.51 121.76 122.28 1o6x s ALA 50 Ca 0.54 -1.40 0.02 0.00 0.00 0.00 0.00 51.96 51.12 1o6x s ALA 50 Cb -0.35 -0.88 0.15 0.00 0.00 0.00 0.00 23.12 22.04 1o6x s ALA 50 CO 0.45 0.49 0.38 -1.01 0.00 0.00 0.00 175.76 176.07 1o6x s HIS 51 N -1.69 -0.59 0.06 0.00 3.76 -1.25 -1.24 115.29 114.34 1o6x s HIS 51 Ca 0.26 -0.33 0.06 0.00 -0.15 0.00 0.00 55.06 54.89 1o6x s HIS 51 Cb -0.09 -0.32 -0.04 0.00 1.11 0.00 0.00 32.58 33.24 1o6x s HIS 51 CO 0.17 -0.98 -0.09 0.54 -0.85 0.00 0.00 174.74 173.53 1o6x s VAL 52 N 1.94 3.45 -1.02 -0.90 0.11 -1.23 -2.47 120.40 120.28 1o6x s VAL 52 Ca 0.13 -1.07 -0.18 0.00 -2.93 0.00 0.00 61.98 57.93 1o6x s VAL 52 Cb -0.14 -2.57 0.14 0.00 -1.53 0.00 0.00 36.38 32.29 1o6x s VAL 52 CO -0.17 0.23 1.24 0.00 -3.33 0.00 0.00 175.10 173.07 1o6x s ARG 53 N -1.88 3.74 0.18 1.54 1.70 -1.26 -2.83 118.95 120.16 1o6x s ARG 53 Ca 0.20 -1.96 -0.19 0.00 -0.47 0.00 0.00 55.73 53.30 1o6x s ARG 53 Cb -0.11 -5.00 -0.08 0.00 -0.57 0.00 0.00 34.95 29.20 1o6x s ARG 53 CO 0.11 -1.81 0.67 0.54 -1.08 0.00 0.00 175.30 173.74 1o6x s VAL 54 N 2.53 4.63 0.16 4.99 0.11 0.31 -4.67 120.40 128.46 1o6x s VAL 54 Ca 0.37 1.23 -0.30 0.00 -2.93 0.00 0.00 61.98 60.35 1o6x s VAL 54 Cb -0.04 -3.87 -0.07 0.00 -1.53 0.00 0.00 36.38 30.87 1o6x s VAL 54 CO -0.06 0.29 1.12 -2.16 -3.33 0.00 0.00 175.10 170.96 1o6x s PRO 55 N -1.77 4.55 0.34 1.54 0.04 -1.26 -0.38 135.00 138.05 1o6x s PRO 55 Ca 0.39 1.74 0.11 0.00 0.04 0.00 0.00 61.00 63.29 1o6x s PRO 55 Cb -0.17 -3.29 0.93 0.00 0.04 0.00 0.00 34.50 32.01 1o6x s PRO 55 CO 0.21 0.00 1.74 0.35 0.04 0.00 0.00 177.00 179.34 1o6x h PHE 56 N 5.41 0.94 0.00 0.56 3.04 -1.81 2.24 116.94 127.33 1o6x h PHE 56 Ca -0.44 0.03 -0.01 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 0.63 0.07 -0.03 -0.24 -2.02 0.00 0.00 178.31 176.72 1o6x h VAL 57 N 0.55 0.13 -0.10 1.41 3.04 -1.91 -1.22 116.25 118.14 1o6x h VAL 57 Ca 0.64 -0.37 0.00 0.00 -1.01 0.00 0.00 66.70 65.95 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 -0.44 0.03 0.00 -3.20 -1.01 0.00 0.00 177.57 172.95 1o6x n ASN 58 N -3.20 2.43 0.09 3.17 2.85 0.64 -4.55 115.26 116.68 1o6x n ASN 58 Ca -0.01 -2.28 -0.07 0.00 -0.11 0.00 0.00 54.58 52.11 1o6x n ASN 58 Cb 0.22 -0.17 -0.03 0.00 1.24 0.00 0.00 39.78 41.04 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 0.60 1.57 0.25 3.44 2.07 0.34 -2.96 116.25 121.56 1o6x h VAL 59 Ca 0.00 -2.86 -0.01 0.00 0.82 0.00 0.00 66.70 64.65 1o6x h VAL 59 Cb 0.72 2.58 0.00 0.00 -1.52 0.00 0.00 31.29 33.07 1o6x h VAL 59 CO 0.02 0.82 -0.12 -0.61 0.02 0.00 0.00 177.57 177.70 1o6x h GLN 60 N 0.04 -0.32 -1.14 1.57 4.15 -1.80 0.39 115.11 118.01 1o6x h GLN 60 Ca -0.03 0.02 0.36 0.00 0.77 0.00 0.00 58.65 59.78 1o6x h GLN 60 Cb 1.56 0.07 -0.13 0.00 0.21 0.00 0.00 27.48 29.19 1o6x h GLN 60 CO 0.13 -0.21 0.70 0.00 -1.93 0.00 0.00 178.83 177.52 1o6x h ALA 61 N -1.65 2.34 -0.14 3.38 0.00 -1.85 1.57 119.26 122.92 1o6x h ALA 61 Ca -0.03 0.14 -0.19 0.00 0.00 0.00 0.00 54.91 54.83 1o6x h ALA 61 Cb 0.25 0.16 0.01 0.00 0.00 0.00 0.00 17.79 18.22 1o6x h ALA 61 CO 0.06 -0.93 -0.65 0.28 0.00 0.00 0.00 179.25 178.00 1o6x h VAL 62 N 0.22 1.31 -0.39 0.00 2.07 -1.49 -1.12 116.25 116.85 1o6x h VAL 62 Ca 0.75 -1.89 0.00 0.00 0.82 0.00 0.00 66.70 66.38 1o6x h VAL 62 Cb 2.05 2.06 -0.02 0.00 -1.52 0.00 0.00 31.29 33.86 1o6x h VAL 62 CO -0.48 0.59 0.25 0.50 0.02 0.00 0.00 177.57 178.44 1o6x h LYS 63 N 0.36 0.51 0.01 1.57 3.64 0.65 0.41 116.57 123.72 1o6x h LYS 63 Ca -0.04 -0.03 -0.21 0.00 -1.27 0.00 0.00 60.65 59.10 1o6x h LYS 63 Cb 1.28 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 32.98 1o6x h LYS 63 CO 0.13 0.34 -0.92 0.28 -2.27 0.00 0.00 179.45 177.02 1o6x h VAL 64 N 0.52 1.49 0.43 2.00 2.07 0.07 -3.11 116.25 119.72 1o6x h VAL 64 Ca 0.14 -2.65 -0.02 0.00 0.82 0.00 0.00 66.70 64.99 1o6x h VAL 64 Cb -0.05 2.51 0.00 0.00 -1.52 0.00 0.00 31.29 32.23 1o6x h VAL 64 CO -0.03 0.77 -0.21 0.15 0.02 0.00 0.00 177.57 178.28 1o6x h PHE 65 N 0.12 -0.53 -0.40 1.57 3.57 0.22 0.62 116.94 122.11 1o6x h PHE 65 Ca -0.05 -0.01 0.07 0.00 3.53 0.00 0.00 57.97 61.50 1o6x h PHE 65 Cb 1.56 0.18 -0.09 0.00 2.79 0.00 0.00 35.95 40.39 1o6x h PHE 65 CO 0.04 -0.23 -0.41 -0.07 -2.23 0.00 0.00 178.31 175.41 1o6x h LEU 66 N -0.80 -1.36 -0.52 0.59 3.38 -1.08 0.38 115.31 115.89 1o6x h LEU 66 Ca -0.06 0.21 0.06 0.00 0.09 0.00 0.00 57.88 58.19 1o6x h LEU 66 Cb 0.54 0.60 -0.05 0.00 0.09 0.00 0.00 40.66 41.84 1o6x h LEU 66 CO 0.10 -0.36 0.22 -0.33 0.09 0.00 0.00 178.44 178.15 1o6x h GLU 67 N -0.32 0.41 -0.81 1.13 4.39 -1.53 -0.60 114.58 117.25 1o6x h GLU 67 Ca 0.14 -0.02 0.11 0.00 0.34 0.00 0.00 59.36 59.92 1o6x h GLU 67 Cb 0.58 -0.09 -0.08 0.00 -0.10 0.00 0.00 28.75 29.06 1o6x h GLU 67 CO -0.56 0.27 0.44 0.66 -1.16 0.00 0.00 179.01 178.66 1o6x h SER 68 N 0.42 0.60 -0.09 1.42 4.64 0.14 0.67 113.55 121.35 1o6x h SER 68 Ca 0.24 0.06 0.00 0.00 -0.47 0.00 0.00 61.79 61.62 1o6x h SER 68 Cb 0.23 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 62.27 1o6x h SER 68 CO -0.22 0.32 0.00 0.00 -0.87 0.00 0.00 176.83 176.07 1o6x n GLN 69 N -4.80 1.29 -3.99 4.77 10.64 0.11 -4.88 117.38 120.53 1o6x n GLN 69 Ca 0.14 -0.36 -0.30 0.00 -1.83 0.00 0.00 57.00 54.64 1o6x n GLN 69 Cb 0.31 -1.20 -0.02 0.00 -0.86 0.00 0.00 30.24 28.47 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 0.51 -0.42 3.87 2.61 0.00 0.23 -4.59 105.19 107.40 1o6x n GLY 70 Ca 0.03 0.23 -0.25 0.00 0.00 0.00 0.00 46.02 46.04 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 -3.90 1.94 -0.13 -0.61 2.07 -0.36 -4.99 121.20 115.22 1o6x s ILE 71 Ca 0.15 -1.51 0.00 0.00 -1.41 0.00 0.00 60.65 57.88 1o6x s ILE 71 Cb -0.07 -2.45 0.02 0.00 0.13 0.00 0.00 42.46 40.09 1o6x s ILE 71 CO 0.92 0.00 -0.12 0.00 -1.91 0.00 0.00 174.94 173.83 1o6x s ALA 72 N -2.69 1.66 0.00 1.50 0.00 -1.26 -4.60 121.76 116.37 1o6x s ALA 72 Ca 0.37 -0.77 0.00 0.00 0.00 0.00 0.00 51.96 51.56 1o6x s ALA 72 Cb -0.01 -0.99 0.00 0.00 0.00 0.00 0.00 23.12 22.12 1o6x s ALA 72 CO 0.22 -0.37 0.00 2.48 0.00 0.00 0.00 175.76 178.09 1o6x n TYR 73 N 4.78 0.00 -3.66 0.00 4.11 -1.26 -0.71 117.16 120.42 1o6x n TYR 73 Ca -0.16 0.00 -0.03 0.00 -0.00 0.00 0.00 57.90 57.71 1o6x n TYR 73 Cb 0.50 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 -1.12 -0.00 0.00 0.00 176.86 175.74 1o6x s SER 74 N -0.80 -0.17 -0.25 9.48 0.01 0.25 -4.94 113.70 117.28 1o6x s SER 74 Ca 0.00 -0.23 -0.11 0.00 1.31 0.00 0.00 55.95 56.92 1o6x s SER 74 Cb 0.00 0.35 -0.05 0.00 0.21 0.00 0.00 66.02 66.53 1o6x s SER 74 CO 0.00 -0.63 0.20 -0.63 0.41 0.00 0.00 173.24 172.59 1o6x s ILE 75 N -2.94 5.32 -0.02 1.44 1.01 -1.26 0.28 121.20 125.03 1o6x s ILE 75 Ca 0.11 0.24 -0.00 0.00 0.00 0.00 0.00 60.65 61.00 1o6x s ILE 75 Cb 0.00 -3.54 -0.00 0.00 0.01 0.00 0.00 42.46 38.93 1o6x s ILE 75 CO -0.02 0.30 -0.01 -0.03 0.00 0.00 0.00 174.94 175.18 1o6x h MET 76 N 7.82 0.00 -6.65 2.79 4.05 -1.88 -3.46 114.93 117.61 1o6x h MET 76 Ca -0.36 0.00 -0.67 0.00 -0.28 0.00 0.00 59.70 58.39 1o6x h MET 76 Cb 1.18 0.00 -0.17 0.00 -0.80 0.00 0.00 31.60 31.80 1o6x h MET 76 CO 0.63 0.00 -0.78 -1.50 0.23 0.00 0.00 176.91 175.49 1o6x s ILE 77 N -1.11 3.01 0.00 1.77 1.10 -1.26 -5.06 121.20 119.65 1o6x s ILE 77 Ca -0.01 -1.47 0.00 0.00 -0.51 0.00 0.00 60.65 58.67 1o6x s ILE 77 Cb 0.00 -2.40 0.00 0.00 0.15 0.00 0.00 42.46 40.21 1o6x s ILE 77 CO 0.01 0.08 0.00 1.21 -2.11 0.00 0.00 174.94 174.12 1o6x n GLU 78 N 0.68 0.00 -2.71 3.50 4.07 -1.26 -4.21 120.64 120.72 1o6x n GLU 78 Ca -0.14 0.00 -0.43 0.00 -0.06 0.00 0.00 57.16 56.52 1o6x n GLU 78 Cb 0.53 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.91 1o6x n GLU 78 CO 0.00 0.00 0.00 -0.25 -0.06 0.00 0.00 177.13 176.82 1o6x n ASP 79 N 0.00 5.23 -4.55 4.31 8.00 -1.26 -4.96 116.55 123.32 1o6x n ASP 79 Ca 0.00 -3.05 -0.42 0.00 0.71 0.00 0.00 54.79 52.02 1o6x n ASP 79 Cb 0.00 -1.51 -0.06 0.00 -0.02 0.00 0.00 41.12 39.53 1o6x n ASP 79 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1o6x s VAL 80 N 0.78 4.79 0.00 2.53 0.11 -1.26 -5.34 120.40 122.02 1o6x s VAL 80 Ca 0.41 0.42 0.00 0.00 -2.93 0.00 0.00 61.98 59.88 1o6x s VAL 80 Cb 0.02 -4.19 0.00 0.00 -1.53 0.00 0.00 36.38 30.68 1o6x s VAL 80 CO 0.00 -0.52 0.00 1.67 -3.33 0.00 0.00 175.10 172.93