#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 1.72 0.22 0.03 0.52 -1.26 -5.18 118.95 115.00 1o6x s ARG 2 Ca 0.00 -1.84 0.05 0.00 -0.52 0.00 0.00 55.73 53.42 1o6x s ARG 2 Cb 0.00 0.36 -0.02 0.00 0.52 0.00 0.00 34.95 35.81 1o6x s ARG 2 CO 0.00 -0.66 0.19 -1.13 0.02 0.00 0.00 175.30 173.72 1o6x n SER 3 N -1.27 -0.47 -4.00 0.23 3.41 -1.26 -5.18 113.62 105.09 1o6x n SER 3 Ca 0.04 -2.46 -0.08 0.00 -0.26 0.00 0.00 58.87 56.11 1o6x n SER 3 Cb 0.63 1.11 -0.09 0.00 -0.26 0.00 0.00 64.21 65.60 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 2.02 0.00 1.04 1.02 -1.26 -5.18 118.68 116.32 1o6x s LEU 4 Ca 0.27 -0.86 0.01 0.00 0.02 0.00 0.00 54.13 53.56 1o6x s LEU 4 Cb 0.01 0.55 0.01 0.00 0.02 0.00 0.00 46.19 46.79 1o6x s LEU 4 CO 0.19 -0.66 0.08 1.21 0.02 0.00 0.00 176.35 177.19 1o6x n GLU 5 N 0.03 1.21 -2.16 1.70 2.13 -1.26 -5.15 120.64 117.15 1o6x n GLU 5 Ca -0.14 -2.04 -0.27 0.00 0.66 0.00 0.00 57.16 55.37 1o6x n GLU 5 Cb 0.62 0.44 0.11 0.00 0.27 0.00 0.00 31.44 32.87 1o6x n GLU 5 CO 0.00 0.00 0.00 0.95 -0.41 0.00 0.00 177.13 177.67 1o6x s THR 6 N -1.86 2.15 -0.23 6.31 -4.23 -1.26 -5.11 115.64 111.41 1o6x s THR 6 Ca 0.06 -0.22 -0.32 0.00 -1.18 0.00 0.00 61.69 60.03 1o6x s THR 6 Cb -0.00 -2.93 0.16 0.00 1.34 0.00 0.00 72.50 71.07 1o6x s THR 6 CO 0.04 0.00 1.24 0.72 -0.54 0.00 0.00 174.62 176.08 1o6x s PHE 7 N -3.44 -0.13 0.38 3.99 -0.12 -1.26 -5.18 117.98 112.22 1o6x s PHE 7 Ca 0.65 0.17 0.04 0.00 -0.05 0.00 0.00 56.93 57.74 1o6x s PHE 7 Cb -0.08 0.49 0.04 0.00 -0.63 0.00 0.00 43.02 42.84 1o6x s PHE 7 CO 0.47 -0.15 0.30 0.28 -0.05 0.00 0.00 175.22 176.08 1o6x n VAL 8 N 0.32 0.00 -2.77 -2.49 0.31 -1.26 -5.08 118.33 107.37 1o6x n VAL 8 Ca -0.01 -1.50 -0.01 0.00 -0.01 0.00 0.00 64.34 62.81 1o6x n VAL 8 Cb 0.58 -0.20 0.08 0.00 -0.91 0.00 0.00 33.84 33.39 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 0.40 1.85 1.97 2.92 0.00 -1.26 -5.12 105.19 105.96 1o6x n GLY 9 Ca -0.01 -0.74 -0.14 0.00 0.00 0.00 0.00 46.02 45.13 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 -0.90 0.25 -3.64 1.61 8.00 -1.26 -2.55 116.55 118.06 1o6x n ASP 10 Ca -0.02 -1.35 -0.06 0.00 0.71 0.00 0.00 54.79 54.07 1o6x n ASP 10 Cb 0.83 -0.46 -0.07 0.00 -0.02 0.00 0.00 41.12 41.40 1o6x n ASP 10 CO 0.00 0.00 0.00 -1.58 -0.39 0.00 0.00 177.20 175.23 1o6x s GLN 11 N -4.26 0.39 0.44 -1.24 0.74 0.24 -4.59 119.66 111.38 1o6x s GLN 11 Ca 0.37 0.51 0.04 0.00 0.05 0.00 0.00 55.36 56.33 1o6x s GLN 11 Cb -0.01 0.17 0.01 0.00 1.10 0.00 0.00 33.01 34.28 1o6x s GLN 11 CO 0.26 -0.05 0.62 0.08 -0.55 0.00 0.00 175.29 175.65 1o6x s VAL 12 N 0.44 3.40 0.04 1.34 1.01 -1.26 0.18 120.40 125.55 1o6x s VAL 12 Ca 0.01 -0.79 -0.28 0.00 0.00 0.00 0.00 61.98 60.92 1o6x s VAL 12 Cb -0.05 -3.21 0.07 0.00 0.00 0.00 0.00 36.38 33.19 1o6x s VAL 12 CO -0.10 -0.11 0.64 -1.48 0.00 0.00 0.00 175.10 174.05 1o6x s LEU 13 N -4.47 -0.61 0.06 3.92 0.05 -1.14 -3.65 118.68 112.85 1o6x s LEU 13 Ca 0.52 0.42 -0.04 0.00 0.05 0.00 0.00 54.13 55.07 1o6x s LEU 13 Cb -0.10 2.55 -0.05 0.00 -2.05 0.00 0.00 46.19 46.55 1o6x s LEU 13 CO 0.35 -0.76 0.28 -0.70 -0.55 0.00 0.00 176.35 174.97 1o6x s GLU 14 N -2.26 3.54 -0.01 1.48 2.12 0.14 -3.42 118.70 120.30 1o6x s GLU 14 Ca -0.06 -0.20 0.01 0.00 0.36 0.00 0.00 54.97 55.08 1o6x s GLU 14 Cb -0.00 -3.01 0.00 0.00 0.26 0.00 0.00 34.13 31.38 1o6x s GLU 14 CO 0.00 0.59 -0.03 0.42 -0.54 0.00 0.00 175.26 175.71 1o6x s ILE 15 N -1.46 0.25 -0.38 -3.70 1.01 -0.33 0.56 121.20 117.15 1o6x s ILE 15 Ca 0.33 -0.10 0.01 0.00 0.00 0.00 0.00 60.65 60.89 1o6x s ILE 15 Cb -0.13 -0.23 0.12 0.00 0.01 0.00 0.00 42.46 42.23 1o6x s ILE 15 CO 0.22 0.09 0.18 -0.69 0.00 0.00 0.00 174.94 174.74 1o6x s VAL 16 N 0.11 1.04 1.07 2.92 1.01 -0.08 -1.13 120.40 125.34 1o6x s VAL 16 Ca -0.01 -2.01 -0.18 0.00 0.00 0.00 0.00 61.98 59.78 1o6x s VAL 16 Cb -0.03 -1.75 0.26 0.00 0.00 0.00 0.00 36.38 34.85 1o6x s VAL 16 CO -0.00 -0.83 1.18 -0.81 0.00 0.00 0.00 175.10 174.64 1o6x n PRO 17 N 4.10 -2.15 0.00 2.72 -0.04 -1.26 -4.22 135.00 134.14 1o6x n PRO 17 Ca 0.05 -1.85 0.00 0.00 -0.04 0.00 0.00 63.50 61.66 1o6x n PRO 17 Cb 0.38 -1.46 0.00 0.00 -0.04 0.00 0.00 33.50 32.38 1o6x n PRO 17 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1o6x n SER 18 N -4.31 0.00 -3.76 3.54 7.64 -1.26 -4.24 113.62 111.23 1o6x n SER 18 Ca 0.15 0.00 -0.15 0.00 1.01 0.00 0.00 58.87 59.89 1o6x n SER 18 Cb 0.57 0.13 0.01 0.00 -1.01 0.00 0.00 64.21 63.91 1o6x n SER 18 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1o6x n ASN 19 N -2.09 1.82 0.03 6.43 3.02 -1.26 -4.76 115.26 118.45 1o6x n ASN 19 Ca 0.00 -2.09 -0.20 0.00 -0.03 0.00 0.00 54.58 52.26 1o6x n ASN 19 Cb 0.00 -0.10 -0.14 0.00 -0.61 0.00 0.00 39.78 38.93 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 -0.38 3.52 3.07 -1.98 -3.23 114.58 115.83 1o6x h GLU 20 Ca -0.20 -0.45 0.08 0.00 -0.50 0.00 0.00 59.36 58.29 1o6x h GLU 20 Cb 0.77 0.17 -0.09 0.00 -0.84 0.00 0.00 28.75 28.76 1o6x h GLU 20 CO 0.30 1.22 -0.31 1.49 -1.40 0.00 0.00 179.01 180.31 1o6x h GLU 21 N -0.38 -0.23 -0.84 2.33 4.57 -1.97 1.53 114.58 119.59 1o6x h GLU 21 Ca -0.20 0.02 0.12 0.00 -1.18 0.00 0.00 59.36 58.11 1o6x h GLU 21 Cb 1.66 0.05 -0.08 0.00 -0.16 0.00 0.00 28.75 30.22 1o6x h GLU 21 CO 0.10 -0.16 0.46 1.96 -1.18 0.00 0.00 179.01 180.20 1o6x h GLN 22 N -0.24 0.70 -0.32 1.92 4.20 -1.86 0.92 115.11 120.44 1o6x h GLN 22 Ca 0.17 -0.04 -0.10 0.00 0.06 0.00 0.00 58.65 58.74 1o6x h GLN 22 Cb 0.53 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 28.14 1o6x h GLN 22 CO -0.52 0.47 -0.20 0.82 -0.67 0.00 0.00 178.83 178.72 1o6x h ILE 23 N 0.73 1.29 0.00 2.54 2.04 -0.83 -2.19 117.51 121.09 1o6x h ILE 23 Ca 0.43 -1.34 0.00 0.00 1.00 0.00 0.00 64.86 64.95 1o6x h ILE 23 Cb 0.49 1.47 0.00 0.00 -0.74 0.00 0.00 36.82 38.04 1o6x h ILE 23 CO -0.29 0.43 0.00 0.50 0.00 0.00 0.00 178.15 178.79 1o6x h LYS 24 N 0.45 0.00 0.07 2.37 3.64 0.36 -1.48 116.57 121.97 1o6x h LYS 24 Ca 0.06 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.44 1o6x h LYS 24 Cb 0.75 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.57 1o6x h LYS 24 CO 0.06 0.00 -0.03 -0.97 -2.27 0.00 0.00 179.45 176.23 1o6x h ASN 25 N 0.00 -0.07 -0.49 4.20 -1.24 -0.22 -1.67 115.58 116.09 1o6x h ASN 25 Ca 0.00 -0.29 -0.00 0.00 0.71 0.00 0.00 56.30 56.72 1o6x h ASN 25 Cb 0.03 0.02 -0.02 0.00 0.73 0.00 0.00 38.32 39.08 1o6x h ASN 25 CO 0.00 0.26 0.30 -0.07 -1.29 0.00 0.00 177.43 176.63 1o6x h LEU 26 N -0.41 0.59 -0.28 0.34 3.38 -1.30 -1.57 115.31 116.05 1o6x h LEU 26 Ca -0.01 -0.05 0.07 0.00 0.09 0.00 0.00 57.88 57.98 1o6x h LEU 26 Cb 0.36 -0.15 -0.08 0.00 0.09 0.00 0.00 40.66 40.89 1o6x h LEU 26 CO 0.01 0.46 -0.27 -0.07 0.09 0.00 0.00 178.44 178.67 1o6x h LEU 27 N 0.66 -0.88 -1.29 1.67 3.38 -1.38 1.11 115.31 118.58 1o6x h LEU 27 Ca 0.18 0.16 0.09 0.00 0.09 0.00 0.00 57.88 58.39 1o6x h LEU 27 Cb -0.02 0.41 -0.06 0.00 0.09 0.00 0.00 40.66 41.09 1o6x h LEU 27 CO -0.03 -0.30 0.54 -0.61 0.09 0.00 0.00 178.44 178.13 1o6x h GLN 28 N -0.26 0.78 0.27 1.13 4.15 -0.93 0.60 115.11 120.85 1o6x h GLN 28 Ca 0.15 -0.05 -0.01 0.00 0.77 0.00 0.00 58.65 59.51 1o6x h GLN 28 Cb 0.49 -0.18 0.00 0.00 0.21 0.00 0.00 27.48 28.01 1o6x h GLN 28 CO -0.43 0.51 -0.13 1.25 -1.93 0.00 0.00 178.83 178.10 1o6x h LEU 29 N 0.80 -0.31 -1.87 -2.39 5.85 0.34 -2.56 115.31 115.17 1o6x h LEU 29 Ca 0.38 0.01 0.28 0.00 0.84 0.00 0.00 57.88 59.39 1o6x h LEU 29 Cb 0.41 0.08 -0.05 0.00 0.37 0.00 0.00 40.66 41.47 1o6x h LEU 29 CO -0.15 -0.10 0.71 -0.08 -0.34 0.00 0.00 178.44 178.48 1o6x h GLU 30 N -0.62 0.09 -0.22 1.25 4.81 0.13 0.37 114.58 120.39 1o6x h GLU 30 Ca -0.04 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.18 1o6x h GLU 30 Cb 0.28 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.63 1o6x h GLU 30 CO 0.06 0.06 0.11 0.00 -0.73 0.00 0.00 179.01 178.51 1o6x h ALA 31 N 1.52 0.28 -0.79 2.92 0.00 0.25 -3.39 119.26 120.05 1o6x h ALA 31 Ca 0.49 -0.07 -0.49 0.00 0.00 0.00 0.00 54.91 54.84 1o6x h ALA 31 Cb 1.81 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 19.47 1o6x h ALA 31 CO -0.06 -0.17 1.68 1.04 0.00 0.00 0.00 179.25 181.74 1o6x n GLN 32 N -4.86 0.53 -0.38 0.00 1.13 0.13 -4.73 117.38 109.20 1o6x n GLN 32 Ca -0.03 0.01 0.34 0.00 -1.94 0.00 0.00 57.00 55.38 1o6x n GLN 32 Cb 0.09 -2.44 0.61 0.00 0.11 0.00 0.00 30.24 28.60 1o6x n GLN 32 CO 0.00 0.00 0.00 1.49 -1.44 0.00 0.00 177.06 177.11 1o6x h GLU 33 N 15.51 0.06 -0.33 -1.09 4.57 -1.83 1.62 114.58 133.09 1o6x h GLU 33 Ca -0.15 -0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.03 1o6x h GLU 33 Cb 1.29 -0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 29.85 1o6x h GLU 33 CO 1.26 0.04 0.21 0.45 -1.18 0.00 0.00 179.01 179.79 1o6x h HIS 34 N 0.06 0.42 -1.77 0.92 3.86 -1.92 -2.55 115.15 114.17 1o6x h HIS 34 Ca 0.84 0.01 -0.74 0.00 -1.16 0.00 0.00 60.37 59.32 1o6x h HIS 34 Cb 2.38 -0.14 -0.28 0.00 1.06 0.00 0.00 27.41 30.42 1o6x h HIS 34 CO -0.01 0.27 0.90 1.28 0.86 0.00 0.00 177.93 181.23 1o6x n LEU 35 N -4.85 7.37 -3.34 2.43 4.77 0.54 -4.87 117.00 119.04 1o6x n LEU 35 Ca -0.01 -4.76 -0.29 0.00 -0.03 0.00 0.00 56.01 50.92 1o6x n LEU 35 Cb 0.03 -1.01 -0.04 0.00 -2.33 0.00 0.00 43.42 40.07 1o6x n LEU 35 CO 0.34 1.74 1.93 1.67 -1.33 0.00 0.00 177.39 181.74 1o6x n GLN 36 N -0.61 1.25 -2.11 3.23 0.00 -0.55 -4.08 117.38 114.51 1o6x n GLN 36 Ca 0.55 -1.37 -0.32 0.00 -0.00 0.00 0.00 57.00 55.86 1o6x n GLN 36 Cb 0.34 -2.54 0.00 0.00 0.00 0.00 0.00 30.24 28.05 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 0.43 3.50 -0.17 1.69 1.02 -1.26 -5.04 118.68 118.85 1o6x s LEU 37 Ca 0.43 1.72 -0.03 0.00 0.02 0.00 0.00 54.13 56.27 1o6x s LEU 37 Cb 0.11 -4.52 -0.02 0.00 0.02 0.00 0.00 46.19 41.77 1o6x s LEU 37 CO 0.08 -1.01 -0.05 -1.81 0.02 0.00 0.00 176.35 173.58 1o6x s ASP 38 N -2.98 4.57 -0.18 2.29 1.11 -1.26 -4.82 116.67 115.40 1o6x s ASP 38 Ca 0.62 -0.23 -0.17 0.00 0.18 0.00 0.00 52.55 52.95 1o6x s ASP 38 Cb -0.14 -1.75 -0.04 0.00 1.07 0.00 0.00 42.92 42.06 1o6x s ASP 38 CO 0.37 0.11 0.45 -0.36 1.18 0.00 0.00 175.17 176.92 1o6x s PHE 39 N 0.68 3.41 0.07 4.23 0.08 -1.26 -4.04 117.98 121.16 1o6x s PHE 39 Ca -0.03 0.72 -0.25 0.00 0.12 0.00 0.00 56.93 57.49 1o6x s PHE 39 Cb -0.15 -2.57 -0.16 0.00 -0.57 0.00 0.00 43.02 39.57 1o6x s PHE 39 CO 0.02 0.01 1.66 -1.49 -0.10 0.00 0.00 175.22 175.32 1o6x h TRP 40 N 7.22 -0.21 -4.08 0.36 4.06 -1.74 -3.45 115.95 118.12 1o6x h TRP 40 Ca -0.37 -0.00 -0.02 0.00 2.06 0.00 0.00 58.89 60.56 1o6x h TRP 40 Cb 1.16 0.07 0.00 0.00 -1.00 0.00 0.00 29.16 29.39 1o6x h TRP 40 CO 0.67 -0.09 -0.00 1.63 -3.56 0.00 0.00 178.44 177.09 1o6x n LYS 41 N -5.16 1.04 -3.70 0.49 5.02 -1.26 -4.95 118.16 109.64 1o6x n LYS 41 Ca -0.09 -0.11 -0.38 0.00 -2.02 0.00 0.00 58.31 55.72 1o6x n LYS 41 Cb 0.13 -0.01 -0.11 0.00 -0.02 0.00 0.00 35.03 35.03 1o6x n LYS 41 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 1o6x s SER 42 N -1.12 5.41 0.32 4.39 0.01 -1.26 -4.88 113.70 116.58 1o6x s SER 42 Ca 0.02 -1.88 0.26 0.00 1.31 0.00 0.00 55.95 55.66 1o6x s SER 42 Cb -0.00 -1.90 0.89 0.00 0.21 0.00 0.00 66.02 65.22 1o6x s SER 42 CO 0.01 -0.57 1.77 1.55 0.41 0.00 0.00 173.24 176.41 1o6x h PRO 43 N 8.21 0.00 -1.84 12.44 0.13 -1.90 -3.26 132.00 145.78 1o6x h PRO 43 Ca -0.17 0.00 0.54 0.00 -0.87 0.00 0.00 66.00 65.49 1o6x h PRO 43 Cb 1.06 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 32.11 1o6x h PRO 43 CO 0.74 0.00 1.32 2.41 -0.23 0.00 0.00 178.00 182.24 1o6x n THR 44 N -2.54 -0.01 -4.28 1.56 -1.04 -1.26 -4.25 114.28 102.46 1o6x n THR 44 Ca 0.03 1.40 -0.19 0.00 -2.04 0.00 0.00 64.05 63.25 1o6x n THR 44 Cb 0.36 -2.34 -0.11 0.00 -1.82 0.00 0.00 70.33 66.42 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 -4.74 1.52 0.00 12.58 -4.23 -1.23 -4.94 115.64 114.60 1o6x s THR 45 Ca -0.05 -1.80 0.00 0.00 -1.18 0.00 0.00 61.69 58.66 1o6x s THR 45 Cb 0.25 -1.66 0.00 0.00 1.34 0.00 0.00 72.50 72.43 1o6x s THR 45 CO 0.83 -0.38 0.00 -0.81 -0.54 0.00 0.00 174.62 173.72 1o6x n PRO 46 N 0.42 -0.08 -1.50 3.99 -0.04 -1.26 -4.09 135.00 132.44 1o6x n PRO 46 Ca -0.14 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.21 1o6x n PRO 46 Cb 0.57 0.00 -0.04 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 3.75 0.71 2.72 0.55 0.00 -1.26 -4.88 105.19 106.78 1o6x n GLY 47 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 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 -3.24 0.33 0.32 1.61 2.02 -1.26 -5.11 118.70 113.37 1o6x s GLU 48 Ca 0.00 0.15 -0.27 0.00 0.02 0.00 0.00 54.97 54.87 1o6x s GLU 48 Cb 0.00 -0.96 -0.09 0.00 0.10 0.00 0.00 34.13 33.18 1o6x s GLU 48 CO 0.00 -0.36 1.05 0.95 0.02 0.00 0.00 175.26 176.91 1o6x s THR 49 N 2.04 3.70 0.20 3.63 -4.23 -1.26 -4.47 115.64 115.25 1o6x s THR 49 Ca 0.04 1.53 0.10 0.00 -1.18 0.00 0.00 61.69 62.19 1o6x s THR 49 Cb -0.13 -3.91 -0.04 0.00 1.34 0.00 0.00 72.50 69.76 1o6x s THR 49 CO -0.05 0.23 -0.13 0.00 -0.54 0.00 0.00 174.62 174.13 1o6x s ALA 50 N -1.38 2.85 -0.30 3.99 0.00 -0.28 -4.49 121.76 122.15 1o6x s ALA 50 Ca 0.49 -1.55 0.02 0.00 0.00 0.00 0.00 51.96 50.92 1o6x s ALA 50 Cb -0.26 -0.61 0.16 0.00 0.00 0.00 0.00 23.12 22.41 1o6x s ALA 50 CO 0.34 0.43 0.39 -1.01 0.00 0.00 0.00 175.76 175.91 1o6x s HIS 51 N -1.79 -0.89 0.03 0.00 3.76 -1.26 -1.19 115.29 113.96 1o6x s HIS 51 Ca 0.25 0.17 0.06 0.00 -0.15 0.00 0.00 55.06 55.39 1o6x s HIS 51 Cb -0.08 -0.22 -0.03 0.00 1.11 0.00 0.00 32.58 33.36 1o6x s HIS 51 CO 0.14 -0.98 -0.15 0.54 -0.85 0.00 0.00 174.74 173.44 1o6x s VAL 52 N 2.45 3.00 -1.05 -0.90 0.11 -1.22 -1.80 120.40 120.99 1o6x s VAL 52 Ca 0.10 -1.09 -0.20 0.00 -2.93 0.00 0.00 61.98 57.86 1o6x s VAL 52 Cb -0.13 -2.28 0.09 0.00 -1.53 0.00 0.00 36.38 32.54 1o6x s VAL 52 CO -0.29 0.34 1.37 -0.13 -3.33 0.00 0.00 175.10 173.07 1o6x s ARG 53 N -1.45 3.70 0.24 1.54 0.52 -1.26 -2.88 118.95 119.36 1o6x s ARG 53 Ca 0.15 -1.63 -0.23 0.00 -0.52 0.00 0.00 55.73 53.51 1o6x s ARG 53 Cb -0.11 -5.20 -0.09 0.00 0.52 0.00 0.00 34.95 30.08 1o6x s ARG 53 CO 0.06 -2.01 0.80 0.54 0.02 0.00 0.00 175.30 174.71 1o6x s VAL 54 N 3.69 4.41 0.16 3.52 0.11 0.49 -4.63 120.40 128.15 1o6x s VAL 54 Ca 0.42 1.55 -0.30 0.00 -2.93 0.00 0.00 61.98 60.72 1o6x s VAL 54 Cb -0.01 -3.97 -0.07 0.00 -1.53 0.00 0.00 36.38 30.79 1o6x s VAL 54 CO -0.06 0.26 1.12 -2.16 -3.33 0.00 0.00 175.10 170.93 1o6x s PRO 55 N -1.81 4.56 0.34 1.54 0.04 -1.26 0.80 135.00 139.20 1o6x s PRO 55 Ca 0.44 1.74 0.12 0.00 0.04 0.00 0.00 61.00 63.33 1o6x s PRO 55 Cb -0.19 -3.28 0.93 0.00 0.04 0.00 0.00 34.50 32.00 1o6x s PRO 55 CO 0.23 0.01 1.74 0.35 0.04 0.00 0.00 177.00 179.38 1o6x h PHE 56 N 5.33 0.93 0.00 0.56 3.04 -1.74 2.21 116.94 127.27 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 0.63 0.08 -0.02 -0.24 -2.02 0.00 0.00 178.31 176.74 1o6x h VAL 57 N 0.55 0.09 -0.09 1.41 3.04 -1.91 -1.28 116.25 118.06 1o6x h VAL 57 Ca 0.63 -0.37 0.00 0.00 -1.01 0.00 0.00 66.70 65.95 1o6x h VAL 57 Cb 1.27 1.33 0.00 0.00 -2.01 0.00 0.00 31.29 31.88 1o6x h VAL 57 CO -0.42 0.02 0.00 -3.20 -1.01 0.00 0.00 177.57 172.96 1o6x n ASN 58 N -3.17 2.37 0.07 3.17 2.85 0.62 -4.57 115.26 116.61 1o6x n ASN 58 Ca -0.01 -2.22 -0.13 0.00 -0.11 0.00 0.00 54.58 52.11 1o6x n ASN 58 Cb 0.22 -0.15 -0.04 0.00 1.24 0.00 0.00 39.78 41.05 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 0.56 1.43 0.25 3.44 2.07 0.35 -2.71 116.25 121.63 1o6x h VAL 59 Ca 0.00 -2.53 -0.01 0.00 0.82 0.00 0.00 66.70 64.98 1o6x h VAL 59 Cb 0.68 2.47 0.00 0.00 -1.52 0.00 0.00 31.29 32.92 1o6x h VAL 59 CO 0.01 0.75 -0.12 -0.61 0.02 0.00 0.00 177.57 177.62 1o6x h GLN 60 N 0.19 -0.32 -1.25 1.57 5.75 -1.81 0.51 115.11 119.76 1o6x h GLN 60 Ca -0.08 0.02 0.36 0.00 -0.15 0.00 0.00 58.65 58.81 1o6x h GLN 60 Cb 1.59 0.07 -0.09 0.00 1.07 0.00 0.00 27.48 30.13 1o6x h GLN 60 CO 0.16 -0.21 0.84 0.00 -2.65 0.00 0.00 178.83 176.97 1o6x h ALA 61 N -1.65 2.78 -0.00 3.38 0.00 -1.84 1.09 119.26 123.02 1o6x h ALA 61 Ca -0.03 0.03 -0.17 0.00 0.00 0.00 0.00 54.91 54.74 1o6x h ALA 61 Cb 0.26 0.11 0.01 0.00 0.00 0.00 0.00 17.79 18.17 1o6x h ALA 61 CO 0.06 -1.24 -0.65 0.28 0.00 0.00 0.00 179.25 177.69 1o6x h VAL 62 N 0.16 1.41 -0.44 0.00 2.07 -1.43 -1.62 116.25 116.40 1o6x h VAL 62 Ca 0.68 -2.10 0.04 0.00 0.82 0.00 0.00 66.70 66.14 1o6x h VAL 62 Cb 2.23 2.57 -0.02 0.00 -1.52 0.00 0.00 31.29 34.55 1o6x h VAL 62 CO -0.22 0.62 0.29 0.11 0.02 0.00 0.00 177.57 178.39 1o6x h LYS 63 N -0.04 0.44 0.01 1.57 1.57 0.62 0.64 116.57 121.37 1o6x h LYS 63 Ca -0.08 -0.03 -0.21 0.00 -1.87 0.00 0.00 60.65 58.46 1o6x h LYS 63 Cb 1.36 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 33.56 1o6x h LYS 63 CO 0.13 0.29 -0.92 0.28 -0.57 0.00 0.00 179.45 178.66 1o6x h VAL 64 N 0.45 1.47 0.55 0.50 2.07 -0.20 -3.13 116.25 117.95 1o6x h VAL 64 Ca 0.18 -2.60 -0.03 0.00 0.82 0.00 0.00 66.70 65.08 1o6x h VAL 64 Cb 0.16 2.48 0.01 0.00 -1.52 0.00 0.00 31.29 32.42 1o6x h VAL 64 CO -0.04 0.76 -0.26 0.15 0.02 0.00 0.00 177.57 178.19 1o6x h PHE 65 N 0.15 -0.68 -0.54 1.57 3.57 0.06 0.13 116.94 121.19 1o6x h PHE 65 Ca -0.06 -0.02 0.09 0.00 3.53 0.00 0.00 57.97 61.51 1o6x h PHE 65 Cb 1.56 0.23 -0.11 0.00 2.79 0.00 0.00 35.95 40.42 1o6x h PHE 65 CO 0.04 -0.36 -0.38 -0.07 -2.23 0.00 0.00 178.31 175.31 1o6x h LEU 66 N -0.93 -1.31 -0.50 0.59 3.38 -1.10 0.55 115.31 115.99 1o6x h LEU 66 Ca -0.08 0.23 0.04 0.00 0.09 0.00 0.00 57.88 58.16 1o6x h LEU 66 Cb 0.63 0.61 -0.04 0.00 0.09 0.00 0.00 40.66 41.95 1o6x h LEU 66 CO 0.12 -0.33 0.26 -0.33 0.09 0.00 0.00 178.44 178.26 1o6x h GLU 67 N -0.22 0.50 -0.71 1.13 4.39 -1.51 -0.04 114.58 118.13 1o6x h GLU 67 Ca 0.20 -0.03 0.09 0.00 0.34 0.00 0.00 59.36 59.96 1o6x h GLU 67 Cb 0.56 -0.11 -0.07 0.00 -0.10 0.00 0.00 28.75 29.03 1o6x h GLU 67 CO -0.66 0.33 0.36 0.66 -1.16 0.00 0.00 179.01 178.54 1o6x h SER 68 N 0.52 0.47 0.00 1.42 4.64 0.22 0.62 113.55 121.43 1o6x h SER 68 Ca 0.21 0.06 0.00 0.00 -0.47 0.00 0.00 61.79 61.59 1o6x h SER 68 Cb 0.10 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.17 1o6x h SER 68 CO -0.14 0.27 0.00 0.00 -0.87 0.00 0.00 176.83 176.09 1o6x n GLN 69 N -4.86 0.98 -3.75 4.77 10.64 0.16 -4.88 117.38 120.44 1o6x n GLN 69 Ca 0.11 0.00 -0.24 0.00 -1.83 0.00 0.00 57.00 55.04 1o6x n GLN 69 Cb 0.27 -1.13 0.02 0.00 -0.86 0.00 0.00 30.24 28.54 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 0.60 -0.44 3.88 2.61 0.00 0.21 -4.76 105.19 107.30 1o6x n GLY 70 Ca 0.06 0.21 -0.27 0.00 0.00 0.00 0.00 46.02 46.03 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 -3.71 1.67 -0.12 -0.61 2.07 -0.12 -5.01 121.20 115.37 1o6x s ILE 71 Ca 0.11 -1.54 -0.00 0.00 -1.41 0.00 0.00 60.65 57.81 1o6x s ILE 71 Cb -0.03 -2.21 0.02 0.00 0.13 0.00 0.00 42.46 40.37 1o6x s ILE 71 CO 0.84 0.00 -0.09 0.00 -1.91 0.00 0.00 174.94 173.78 1o6x s ALA 72 N -2.76 1.43 0.00 1.50 0.00 -1.26 -4.60 121.76 116.07 1o6x s ALA 72 Ca 0.32 -0.61 0.00 0.00 0.00 0.00 0.00 51.96 51.67 1o6x s ALA 72 Cb -0.02 -0.92 0.00 0.00 0.00 0.00 0.00 23.12 22.19 1o6x s ALA 72 CO 0.20 -0.37 0.00 2.48 0.00 0.00 0.00 175.76 178.06 1o6x n TYR 73 N 4.83 0.00 -3.44 0.00 4.11 -1.26 -0.90 117.16 120.50 1o6x n TYR 73 Ca -0.14 0.00 -0.13 0.00 -0.00 0.00 0.00 57.90 57.63 1o6x n TYR 73 Cb 0.50 0.00 -0.03 0.00 -0.00 0.00 0.00 39.34 39.81 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 -0.58 -0.34 9.48 0.01 0.19 -4.90 113.70 116.61 1o6x s SER 74 Ca 0.00 0.13 -0.14 0.00 1.31 0.00 0.00 55.95 57.25 1o6x s SER 74 Cb 0.00 0.59 -0.01 0.00 0.21 0.00 0.00 66.02 66.80 1o6x s SER 74 CO 0.00 -0.90 0.28 -0.63 0.41 0.00 0.00 173.24 172.40 1o6x s ILE 75 N -3.29 5.25 -0.02 1.44 1.09 -1.26 0.25 121.20 124.66 1o6x s ILE 75 Ca -0.01 -0.16 -0.01 0.00 -1.10 0.00 0.00 60.65 59.37 1o6x s ILE 75 Cb -0.01 -3.76 -0.00 0.00 -1.06 0.00 0.00 42.46 37.63 1o6x s ILE 75 CO -0.09 -0.05 -0.01 -0.03 -0.10 0.00 0.00 174.94 174.66 1o6x h MET 76 N 8.49 0.00 -6.21 2.79 4.05 -1.90 -3.47 114.93 118.67 1o6x h MET 76 Ca -0.31 0.00 -0.60 0.00 -0.28 0.00 0.00 59.70 58.51 1o6x h MET 76 Cb 1.15 0.00 -0.13 0.00 -0.80 0.00 0.00 31.60 31.82 1o6x h MET 76 CO 0.66 0.00 -0.74 -1.50 0.23 0.00 0.00 176.91 175.55 1o6x s ILE 77 N -1.15 2.64 0.00 1.77 1.10 -1.25 -5.06 121.20 119.24 1o6x s ILE 77 Ca -0.01 -2.32 0.00 0.00 -0.51 0.00 0.00 60.65 57.81 1o6x s ILE 77 Cb 0.00 -2.39 0.00 0.00 0.15 0.00 0.00 42.46 40.23 1o6x s ILE 77 CO 0.02 -0.39 0.00 1.21 -2.11 0.00 0.00 174.94 173.66 1o6x n GLU 78 N -0.65 2.27 -2.03 3.50 2.13 -1.26 -4.22 120.64 120.38 1o6x n GLU 78 Ca -0.05 0.00 -0.42 0.00 0.66 0.00 0.00 57.16 57.34 1o6x n GLU 78 Cb 0.60 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.31 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 4.31 -4.51 4.31 8.00 -1.26 -4.89 116.55 122.51 1o6x n ASP 79 Ca 0.00 -2.90 -0.39 0.00 0.71 0.00 0.00 54.79 52.22 1o6x n ASP 79 Cb 0.00 -1.65 -0.11 0.00 -0.02 0.00 0.00 41.12 39.34 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 2.95 4.94 -1.82 2.53 0.11 -1.26 -5.23 120.40 122.61 1o6x s VAL 80 Ca 0.47 -0.16 0.00 0.00 -2.93 0.00 0.00 61.98 59.36 1o6x s VAL 80 Cb 0.11 -3.44 0.00 0.00 -1.53 0.00 0.00 36.38 31.51 1o6x s VAL 80 CO -0.04 0.14 0.46 0.00 -3.33 0.00 0.00 175.10 172.33