#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1o6x h ARG 2 N 0.00 0.00 -3.18 0.03 0.11 -2.11 -3.37 114.38 105.86 1o6x h ARG 2 Ca 0.00 0.00 -0.36 0.00 0.10 0.00 0.00 59.98 59.72 1o6x h ARG 2 Cb 0.00 0.00 -0.38 0.00 1.11 0.00 0.00 29.97 30.70 1o6x h ARG 2 CO 0.00 0.00 -0.71 -1.12 0.10 0.00 0.00 179.97 178.24 1o6x s SER 3 N -5.40 1.20 0.18 0.08 0.01 -1.26 -5.14 113.70 103.36 1o6x s SER 3 Ca -0.04 0.05 0.01 0.00 1.31 0.00 0.00 55.95 57.28 1o6x s SER 3 Cb 0.14 -0.02 -0.01 0.00 0.21 0.00 0.00 66.02 66.34 1o6x s SER 3 CO 0.47 -0.26 0.05 0.00 0.41 0.00 0.00 173.24 173.91 1o6x n LEU 4 N 5.31 0.00 -4.71 2.44 -0.00 -1.26 -5.12 117.00 113.66 1o6x n LEU 4 Ca -0.04 -1.30 -0.39 0.00 -0.00 0.00 0.00 56.01 54.29 1o6x n LEU 4 Cb 0.50 0.39 0.04 0.00 -0.00 0.00 0.00 43.42 44.35 1o6x n LEU 4 CO 0.06 -0.20 0.87 1.21 -0.00 0.00 0.00 177.39 179.33 1o6x n GLU 5 N -0.40 1.50 -0.88 1.47 4.07 -1.26 -4.92 120.64 120.21 1o6x n GLU 5 Ca -0.03 0.55 -0.36 0.00 -0.06 0.00 0.00 57.16 57.26 1o6x n GLU 5 Cb 0.26 -2.45 0.08 0.00 -0.06 0.00 0.00 31.44 29.27 1o6x n GLU 5 CO 0.00 0.00 0.00 0.25 -0.06 0.00 0.00 177.13 177.32 1o6x n THR 6 N -1.14 0.00 -3.25 6.31 -2.24 -1.26 -5.02 114.28 107.68 1o6x n THR 6 Ca 0.11 -0.15 -0.02 0.00 -2.27 0.00 0.00 64.05 61.72 1o6x n THR 6 Cb 0.45 -0.23 0.00 0.00 -2.10 0.00 0.00 70.33 68.45 1o6x n THR 6 CO 0.00 0.00 0.00 0.33 -0.57 0.00 0.00 175.07 174.83 1o6x n PHE 7 N -3.73 -1.10 -2.09 4.78 7.35 -1.26 -5.19 117.46 116.23 1o6x n PHE 7 Ca -0.01 -0.34 0.00 0.00 -0.76 0.00 0.00 57.45 56.34 1o6x n PHE 7 Cb 0.69 0.15 0.00 0.00 0.35 0.00 0.00 39.48 40.66 1o6x n PHE 7 CO 0.00 0.00 0.00 1.55 -0.76 0.00 0.00 176.76 177.55 1o6x n VAL 8 N -0.09 0.00 -3.34 -2.13 3.14 -1.26 -5.17 118.33 109.48 1o6x n VAL 8 Ca -0.01 0.00 -0.20 0.00 -2.96 0.00 0.00 64.34 61.16 1o6x n VAL 8 Cb 0.10 0.00 0.01 0.00 -1.06 0.00 0.00 33.84 32.89 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 2.02 0.71 7.55 0.00 -1.26 -5.03 107.32 111.31 1o6x s GLY 9 Ca 0.00 -1.80 0.03 0.00 0.00 0.00 0.00 44.72 42.95 1o6x s GLY 9 CO 0.00 -1.68 0.97 0.51 0.00 0.00 0.00 173.10 172.90 1o6x s ASP 10 N -4.35 4.41 -0.29 1.64 -4.77 -1.26 -2.60 116.67 109.46 1o6x s ASP 10 Ca 0.51 -0.63 -0.15 0.00 -3.30 0.00 0.00 52.55 48.97 1o6x s ASP 10 Cb -0.05 0.31 0.10 0.00 -1.09 0.00 0.00 42.92 42.19 1o6x s ASP 10 CO 0.31 -1.84 0.76 -1.58 0.70 0.00 0.00 175.17 173.52 1o6x s GLN 11 N -5.05 0.60 0.38 2.11 0.74 0.38 -4.53 119.66 114.29 1o6x s GLN 11 Ca 0.67 1.10 0.07 0.00 0.05 0.00 0.00 55.36 57.25 1o6x s GLN 11 Cb -0.04 0.22 -0.00 0.00 1.10 0.00 0.00 33.01 34.29 1o6x s GLN 11 CO 0.44 -0.14 0.53 0.08 -0.55 0.00 0.00 175.29 175.65 1o6x s VAL 12 N 1.74 3.65 -0.12 1.34 1.01 -1.19 0.20 120.40 127.03 1o6x s VAL 12 Ca -0.09 -0.96 -0.21 0.00 0.00 0.00 0.00 61.98 60.72 1o6x s VAL 12 Cb -0.06 -3.26 0.05 0.00 0.00 0.00 0.00 36.38 33.12 1o6x s VAL 12 CO -0.19 -0.11 0.53 -1.48 0.00 0.00 0.00 175.10 173.86 1o6x s LEU 13 N -4.28 -0.05 -0.24 3.92 0.05 -1.19 -3.72 118.68 113.18 1o6x s LEU 13 Ca 0.49 0.78 -0.12 0.00 0.05 0.00 0.00 54.13 55.33 1o6x s LEU 13 Cb -0.10 1.94 -0.05 0.00 -2.05 0.00 0.00 46.19 45.93 1o6x s LEU 13 CO 0.32 -0.36 0.22 -1.83 -0.55 0.00 0.00 176.35 174.15 1o6x s GLU 14 N -0.47 4.07 0.07 1.48 -1.05 0.09 -3.64 118.70 119.24 1o6x s GLU 14 Ca -0.06 -0.17 0.06 0.00 -0.15 0.00 0.00 54.97 54.65 1o6x s GLU 14 Cb -0.03 -3.56 -0.04 0.00 -0.44 0.00 0.00 34.13 30.07 1o6x s GLU 14 CO 0.04 0.00 -0.12 0.42 0.95 0.00 0.00 175.26 176.55 1o6x s ILE 15 N 1.22 3.23 -0.42 1.83 1.01 -0.37 0.79 121.20 128.49 1o6x s ILE 15 Ca 0.10 -1.17 0.02 0.00 0.00 0.00 0.00 60.65 59.60 1o6x s ILE 15 Cb -0.14 -2.45 0.13 0.00 0.01 0.00 0.00 42.46 40.01 1o6x s ILE 15 CO 0.06 0.23 0.22 -0.69 0.00 0.00 0.00 174.94 174.76 1o6x s VAL 16 N -1.09 1.27 0.73 2.92 1.01 -0.13 -1.00 120.40 124.11 1o6x s VAL 16 Ca 0.18 -2.38 -0.12 0.00 0.00 0.00 0.00 61.98 59.66 1o6x s VAL 16 Cb -0.11 -1.90 0.18 0.00 0.00 0.00 0.00 36.38 34.55 1o6x s VAL 16 CO 0.10 -0.88 0.80 -0.81 0.00 0.00 0.00 175.10 174.31 1o6x n PRO 17 N 3.71 -1.63 0.00 2.72 -0.04 -1.26 -4.40 135.00 134.10 1o6x n PRO 17 Ca 0.08 -1.26 0.00 0.00 -0.04 0.00 0.00 63.50 62.28 1o6x n PRO 17 Cb 0.35 -0.99 0.00 0.00 -0.04 0.00 0.00 33.50 32.82 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 -3.90 0.00 -3.40 3.54 2.88 -1.26 -4.01 113.62 107.48 1o6x n SER 18 Ca 0.11 0.00 -0.10 0.00 -1.33 0.00 0.00 58.87 57.55 1o6x n SER 18 Cb 0.39 0.14 0.04 0.00 -0.75 0.00 0.00 64.21 64.03 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 -1.74 0.97 -0.01 -3.46 3.02 -1.26 -4.74 115.26 108.03 1o6x n ASN 19 Ca 0.00 -1.72 -0.07 0.00 -0.03 0.00 0.00 54.58 52.77 1o6x n ASN 19 Cb 0.00 -0.22 -0.13 0.00 -0.61 0.00 0.00 39.78 38.82 1o6x n ASN 19 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1o6x n GLU 20 N -1.66 0.63 0.12 3.52 4.71 -1.26 -3.63 120.64 123.07 1o6x n GLU 20 Ca 0.08 0.28 -0.14 0.00 -0.01 0.00 0.00 57.16 57.38 1o6x n GLU 20 Cb 0.29 -1.80 -0.08 0.00 -1.01 0.00 0.00 31.44 28.84 1o6x n GLU 20 CO 0.00 0.00 0.00 1.49 0.09 0.00 0.00 177.13 178.71 1o6x h GLU 21 N 0.00 -0.24 -0.53 3.49 4.57 -1.96 1.45 114.58 121.37 1o6x h GLU 21 Ca -0.26 0.02 0.02 0.00 -1.18 0.00 0.00 59.36 57.96 1o6x h GLU 21 Cb 1.92 0.05 -0.03 0.00 -0.16 0.00 0.00 28.75 30.54 1o6x h GLU 21 CO 0.07 -0.06 0.35 1.96 -1.18 0.00 0.00 179.01 180.15 1o6x h GLN 22 N -0.37 0.61 0.06 1.92 4.20 -1.86 0.76 115.11 120.43 1o6x h GLN 22 Ca -0.03 -0.04 -0.26 0.00 0.06 0.00 0.00 58.65 58.38 1o6x h GLN 22 Cb 0.29 -0.14 0.02 0.00 0.30 0.00 0.00 27.48 27.95 1o6x h GLN 22 CO 0.04 0.41 -1.07 0.82 -0.67 0.00 0.00 178.83 178.36 1o6x h ILE 23 N 0.63 1.31 0.00 2.54 2.04 -1.53 -3.01 117.51 119.49 1o6x h ILE 23 Ca 0.21 -2.33 0.00 0.00 1.00 0.00 0.00 64.86 63.73 1o6x h ILE 23 Cb 0.05 2.59 0.00 0.00 -0.74 0.00 0.00 36.82 38.72 1o6x h ILE 23 CO -0.05 0.71 0.00 1.17 0.00 0.00 0.00 178.15 179.98 1o6x n LYS 24 N -3.89 0.10 0.02 2.37 4.81 0.49 -2.53 118.16 119.53 1o6x n LYS 24 Ca -0.12 0.25 -0.19 0.00 -0.87 0.00 0.00 58.31 57.37 1o6x n LYS 24 Cb 0.90 -1.66 -0.10 0.00 0.02 0.00 0.00 35.03 34.20 1o6x n LYS 24 CO 0.00 0.00 0.00 -0.91 1.17 0.00 0.00 177.40 177.66 1o6x h ASN 25 N 0.00 0.87 -0.40 3.14 4.21 0.63 -2.88 115.58 121.15 1o6x h ASN 25 Ca 0.00 -0.71 -0.04 0.00 1.21 0.00 0.00 56.30 56.76 1o6x h ASN 25 Cb 0.40 -0.26 -0.02 0.00 -1.12 0.00 0.00 38.32 37.32 1o6x h ASN 25 CO 0.00 1.46 0.08 -0.07 -1.29 0.00 0.00 177.43 177.61 1o6x h LEU 26 N 0.36 0.62 -0.10 1.61 3.38 -1.46 -1.89 115.31 117.83 1o6x h LEU 26 Ca -0.10 -0.24 0.04 0.00 0.09 0.00 0.00 57.88 57.67 1o6x h LEU 26 Cb 1.56 -0.16 -0.06 0.00 0.09 0.00 0.00 40.66 42.09 1o6x h LEU 26 CO 0.18 0.70 -0.34 -0.07 0.09 0.00 0.00 178.44 179.00 1o6x h LEU 27 N 0.51 -1.06 -1.30 1.67 3.38 -1.56 0.88 115.31 117.82 1o6x h LEU 27 Ca 0.12 0.15 0.13 0.00 0.09 0.00 0.00 57.88 58.37 1o6x h LEU 27 Cb 0.34 0.44 -0.07 0.00 0.09 0.00 0.00 40.66 41.46 1o6x h LEU 27 CO 0.00 -0.38 0.56 -0.61 0.09 0.00 0.00 178.44 178.10 1o6x h GLN 28 N -0.44 0.69 0.37 1.13 -0.00 -1.37 0.66 115.11 116.15 1o6x h GLN 28 Ca 0.08 -0.04 -0.02 0.00 -0.00 0.00 0.00 58.65 58.67 1o6x h GLN 28 Cb 0.57 -0.16 0.00 0.00 0.00 0.00 0.00 27.48 27.90 1o6x h GLN 28 CO -0.34 0.46 -0.18 1.25 0.00 0.00 0.00 178.83 180.01 1o6x h LEU 29 N 0.71 -0.42 -2.02 -2.39 5.85 -0.02 -2.60 115.31 114.42 1o6x h LEU 29 Ca 0.42 0.01 0.08 0.00 0.84 0.00 0.00 57.88 59.24 1o6x h LEU 29 Cb 0.63 0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.76 1o6x h LEU 29 CO -0.19 -0.18 0.38 -0.08 -0.34 0.00 0.00 178.44 178.04 1o6x h GLU 30 N -0.75 0.00 -0.50 1.25 4.22 0.10 0.39 114.58 119.29 1o6x h GLU 30 Ca -0.05 0.00 -0.10 0.00 0.08 0.00 0.00 59.36 59.29 1o6x h GLU 30 Cb 0.38 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.62 1o6x h GLU 30 CO 0.08 0.00 -0.10 0.00 -2.18 0.00 0.00 179.01 176.82 1o6x h ALA 31 N 1.49 0.68 -0.36 2.92 0.00 0.47 -3.35 119.26 121.11 1o6x h ALA 31 Ca 0.13 -0.34 -0.14 0.00 0.00 0.00 0.00 54.91 54.56 1o6x h ALA 31 Cb 0.90 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.48 1o6x h ALA 31 CO -0.00 0.57 0.70 1.04 0.00 0.00 0.00 179.25 181.56 1o6x n GLN 32 N -4.22 0.45 -0.32 0.00 1.13 0.14 -4.74 117.38 109.81 1o6x n GLN 32 Ca 0.01 -0.55 0.14 0.00 -1.94 0.00 0.00 57.00 54.66 1o6x n GLN 32 Cb 0.38 -2.96 0.28 0.00 0.11 0.00 0.00 30.24 28.05 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 8.02 -0.07 -0.33 -1.09 2.13 -1.26 0.18 120.64 128.22 1o6x n GLU 33 Ca 0.52 1.40 0.25 0.00 0.66 0.00 0.00 57.16 59.99 1o6x n GLU 33 Cb 0.36 -2.23 0.47 0.00 0.27 0.00 0.00 31.44 30.31 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 -5.38 0.95 0.00 4.31 -0.00 -1.26 -2.67 115.22 111.17 1o6x n HIS 34 Ca 0.22 1.19 0.00 0.00 -0.00 0.00 0.00 57.72 59.13 1o6x n HIS 34 Cb 0.73 -1.44 0.00 0.00 -0.00 0.00 0.00 29.99 29.27 1o6x n HIS 34 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 1o6x n LEU 35 N -5.35 0.68 -2.71 2.41 4.77 0.47 -5.02 117.00 112.25 1o6x n LEU 35 Ca 0.32 0.18 -0.11 0.00 -0.03 0.00 0.00 56.01 56.38 1o6x n LEU 35 Cb 1.08 -0.31 0.05 0.00 -2.33 0.00 0.00 43.42 41.91 1o6x n LEU 35 CO -0.02 -0.31 0.04 0.00 -1.33 0.00 0.00 177.39 175.76 1o6x n GLN 36 N -1.71 -2.45 -1.90 3.23 6.02 -0.57 -5.01 117.38 114.98 1o6x n GLN 36 Ca 0.00 0.60 -0.30 0.00 -0.01 0.00 0.00 57.00 57.29 1o6x n GLN 36 Cb 0.00 -4.62 0.04 0.00 1.02 0.00 0.00 30.24 26.68 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 -4.77 2.97 -0.11 1.08 1.02 -1.26 -5.07 118.68 112.54 1o6x s LEU 37 Ca 0.23 1.16 0.03 0.00 0.02 0.00 0.00 54.13 55.56 1o6x s LEU 37 Cb -0.03 -4.00 -0.01 0.00 0.02 0.00 0.00 46.19 42.17 1o6x s LEU 37 CO 0.51 -1.25 -0.20 -1.81 0.02 0.00 0.00 176.35 173.62 1o6x s ASP 38 N -4.33 3.43 -0.18 2.29 1.01 -1.26 -4.88 116.67 112.76 1o6x s ASP 38 Ca 0.57 -0.47 -0.13 0.00 0.71 0.00 0.00 52.55 53.24 1o6x s ASP 38 Cb -0.11 -1.46 -0.05 0.00 1.01 0.00 0.00 42.92 42.31 1o6x s ASP 38 CO 0.52 0.17 0.24 -0.36 0.21 0.00 0.00 175.17 175.94 1o6x s PHE 39 N 0.32 3.43 -0.01 4.23 0.08 -1.26 -3.50 117.98 121.27 1o6x s PHE 39 Ca -0.15 0.50 -0.07 0.00 0.12 0.00 0.00 56.93 57.32 1o6x s PHE 39 Cb -0.17 -2.29 -0.04 0.00 -0.57 0.00 0.00 43.02 39.95 1o6x s PHE 39 CO 0.08 0.24 0.59 -1.49 -0.10 0.00 0.00 175.22 174.53 1o6x h TRP 40 N 6.74 -0.25 -3.46 0.36 4.06 -1.41 -3.41 115.95 118.58 1o6x h TRP 40 Ca -0.41 -0.01 -0.71 0.00 2.06 0.00 0.00 58.89 59.83 1o6x h TRP 40 Cb 1.16 0.08 -0.20 0.00 -1.00 0.00 0.00 29.16 29.20 1o6x h TRP 40 CO 0.60 -0.15 -0.28 0.15 -3.56 0.00 0.00 178.44 175.19 1o6x s LYS 41 N -2.66 3.03 -0.76 0.49 1.02 -1.26 -4.92 119.74 114.68 1o6x s LYS 41 Ca -0.04 -0.96 -0.36 0.00 0.02 0.00 0.00 55.97 54.63 1o6x s LYS 41 Cb 0.00 -4.01 -0.20 0.00 -0.52 0.00 0.00 37.83 33.10 1o6x s LYS 41 CO 0.12 -0.88 2.40 -1.13 -0.92 0.00 0.00 175.35 174.94 1o6x n SER 42 N 5.43 0.48 0.00 2.83 3.41 -1.26 -4.39 113.62 120.12 1o6x n SER 42 Ca -0.09 0.39 0.12 0.00 -0.26 0.00 0.00 58.87 59.02 1o6x n SER 42 Cb 0.46 -0.89 0.68 0.00 -0.26 0.00 0.00 64.21 64.21 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 7.88 0.75 -0.59 4.33 -0.04 -1.26 -3.79 135.00 142.28 1o6x n PRO 43 Ca 0.60 0.00 0.47 0.00 -0.04 0.00 0.00 63.50 64.53 1o6x n PRO 43 Cb -0.00 -1.48 0.78 0.00 -0.04 0.00 0.00 33.50 32.76 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 0.10 -3.71 0.52 2.02 -1.88 -3.38 112.91 106.58 1o6x h THR 44 Ca 0.00 -0.00 -0.49 0.00 0.77 0.00 0.00 66.41 66.69 1o6x h THR 44 Cb 0.00 0.09 -0.20 0.00 -1.74 0.00 0.00 68.15 66.30 1o6x h THR 44 CO 0.00 0.00 -0.79 0.42 0.37 0.00 0.00 175.52 175.52 1o6x s THR 45 N -4.95 1.53 0.97 3.16 -4.23 -1.25 -4.95 115.64 105.92 1o6x s THR 45 Ca -0.05 -1.63 -0.14 0.00 -1.18 0.00 0.00 61.69 58.69 1o6x s THR 45 Cb 0.27 -1.52 0.17 0.00 1.34 0.00 0.00 72.50 72.75 1o6x s THR 45 CO 0.87 -0.23 1.17 -2.16 -0.54 0.00 0.00 174.62 173.72 1o6x s PRO 46 N -2.26 0.67 0.00 3.99 0.04 -1.26 -3.99 135.00 132.18 1o6x s PRO 46 Ca 0.08 0.11 0.00 0.00 0.04 0.00 0.00 61.00 61.22 1o6x s PRO 46 Cb -0.08 -1.80 0.00 0.00 0.04 0.00 0.00 34.50 32.66 1o6x s PRO 46 CO 0.04 -2.48 0.00 0.41 0.04 0.00 0.00 177.00 175.01 1o6x n GLY 47 N -2.29 1.74 3.46 0.56 0.00 -1.26 -4.91 105.19 102.50 1o6x n GLY 47 Ca 0.09 -0.25 -0.43 0.00 0.00 0.00 0.00 46.02 45.43 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 0.00 3.14 0.99 1.61 0.41 -1.26 -4.97 118.70 118.62 1o6x s GLU 48 Ca 0.00 -0.75 -0.15 0.00 -0.41 0.00 0.00 54.97 53.66 1o6x s GLU 48 Cb 0.00 -4.20 0.03 0.00 -1.78 0.00 0.00 34.13 28.18 1o6x s GLU 48 CO 0.00 -1.75 0.17 0.25 -0.49 0.00 0.00 175.26 173.44 1o6x n THR 49 N 5.95 0.00 -4.40 3.63 -2.24 -1.26 -4.63 114.28 111.33 1o6x n THR 49 Ca -0.03 -0.24 -0.26 0.00 -2.27 0.00 0.00 64.05 61.26 1o6x n THR 49 Cb 0.46 -0.54 -0.10 0.00 -2.10 0.00 0.00 70.33 68.04 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 -2.32 2.74 -0.33 6.98 0.00 -0.17 -4.35 121.76 124.31 1o6x s ALA 50 Ca 0.55 -1.69 0.02 0.00 0.00 0.00 0.00 51.96 50.84 1o6x s ALA 50 Cb -0.18 -0.42 0.16 0.00 0.00 0.00 0.00 23.12 22.67 1o6x s ALA 50 CO 0.69 0.37 0.39 -1.01 0.00 0.00 0.00 175.76 176.20 1o6x s HIS 51 N -2.01 -0.68 -0.02 0.00 3.76 -1.25 -1.24 115.29 113.85 1o6x s HIS 51 Ca 0.25 -0.23 0.01 0.00 -0.15 0.00 0.00 55.06 54.95 1o6x s HIS 51 Cb -0.07 -0.28 -0.03 0.00 1.11 0.00 0.00 32.58 33.31 1o6x s HIS 51 CO 0.13 -0.98 -0.02 0.54 -0.85 0.00 0.00 174.74 173.57 1o6x s VAL 52 N 2.02 4.07 -1.18 -0.90 0.11 -1.24 -0.94 120.40 122.34 1o6x s VAL 52 Ca 0.13 -0.55 -0.18 0.00 -2.93 0.00 0.00 61.98 58.45 1o6x s VAL 52 Cb -0.13 -2.77 0.09 0.00 -1.53 0.00 0.00 36.38 32.04 1o6x s VAL 52 CO -0.19 0.44 1.55 -0.13 -3.33 0.00 0.00 175.10 173.45 1o6x s ARG 53 N -1.34 3.89 0.30 1.54 0.52 -1.23 -3.15 118.95 119.47 1o6x s ARG 53 Ca 0.17 -1.91 -0.28 0.00 -0.52 0.00 0.00 55.73 53.19 1o6x s ARG 53 Cb -0.11 -5.33 -0.09 0.00 0.52 0.00 0.00 34.95 29.93 1o6x s ARG 53 CO 0.07 -2.09 1.04 0.54 0.02 0.00 0.00 175.30 174.89 1o6x s VAL 54 N 3.65 3.71 -0.10 3.52 0.11 0.53 -4.65 120.40 127.17 1o6x s VAL 54 Ca 0.48 1.62 -0.30 0.00 -2.93 0.00 0.00 61.98 60.85 1o6x s VAL 54 Cb 0.01 -3.99 -0.03 0.00 -1.53 0.00 0.00 36.38 30.84 1o6x s VAL 54 CO 0.01 0.31 1.25 -2.16 -3.33 0.00 0.00 175.10 171.17 1o6x s PRO 55 N -1.62 4.29 0.47 1.54 0.04 -1.26 0.14 135.00 138.60 1o6x s PRO 55 Ca 0.46 1.69 0.39 0.00 0.04 0.00 0.00 61.00 63.59 1o6x s PRO 55 Cb -0.28 -3.66 1.51 0.00 0.04 0.00 0.00 34.50 32.12 1o6x s PRO 55 CO 0.35 -0.58 1.46 0.34 0.04 0.00 0.00 177.00 178.61 1o6x n PHE 56 N 5.88 0.31 0.03 0.56 7.35 -1.07 0.21 117.46 130.72 1o6x n PHE 56 Ca 0.12 0.32 -0.13 0.00 -0.76 0.00 0.00 57.45 57.00 1o6x n PHE 56 Cb 0.45 -0.76 -0.09 0.00 0.35 0.00 0.00 39.48 39.43 1o6x n PHE 56 CO 0.00 0.00 0.00 -0.24 -0.76 0.00 0.00 176.76 175.76 1o6x h VAL 57 N 0.00 1.19 -0.33 -2.13 3.04 -1.90 -2.91 116.25 113.22 1o6x h VAL 57 Ca 0.85 -1.01 0.00 0.00 -1.01 0.00 0.00 66.70 65.53 1o6x h VAL 57 Cb 3.12 1.84 0.00 0.00 -2.01 0.00 0.00 31.29 34.23 1o6x h VAL 57 CO -0.21 0.25 0.00 -3.20 -1.01 0.00 0.00 177.57 173.39 1o6x n ASN 58 N -4.92 2.60 0.10 3.17 5.15 0.55 -4.21 115.26 117.71 1o6x n ASN 58 Ca -0.08 -2.22 -0.12 0.00 -0.60 0.00 0.00 54.58 51.55 1o6x n ASN 58 Cb 0.25 -0.41 -0.06 0.00 -0.53 0.00 0.00 39.78 39.03 1o6x n ASN 58 CO 0.00 0.00 0.00 1.62 1.40 0.00 0.00 177.26 180.28 1o6x h VAL 59 N 2.05 0.71 0.26 3.44 3.04 0.25 -1.46 116.25 124.53 1o6x h VAL 59 Ca 0.00 0.00 -0.01 0.00 -1.01 0.00 0.00 66.70 65.68 1o6x h VAL 59 Cb 0.84 0.71 -0.00 0.00 -2.01 0.00 0.00 31.29 30.82 1o6x h VAL 59 CO 0.12 0.00 -0.16 -0.61 -1.01 0.00 0.00 177.57 175.91 1o6x h GLN 60 N -0.27 -0.39 -0.91 4.17 4.15 -1.77 0.39 115.11 120.49 1o6x h GLN 60 Ca 0.01 0.03 0.25 0.00 0.77 0.00 0.00 58.65 59.71 1o6x h GLN 60 Cb 0.27 0.09 -0.16 0.00 0.21 0.00 0.00 27.48 27.89 1o6x h GLN 60 CO -0.05 -0.26 0.12 0.00 -1.93 0.00 0.00 178.83 176.71 1o6x h ALA 61 N 0.32 1.18 -0.07 3.38 0.00 -1.77 1.65 119.26 123.95 1o6x h ALA 61 Ca -0.02 0.28 -0.04 0.00 0.00 0.00 0.00 54.91 55.12 1o6x h ALA 61 Cb 0.34 0.45 -0.00 0.00 0.00 0.00 0.00 17.79 18.58 1o6x h ALA 61 CO 0.02 -0.53 -0.12 0.28 0.00 0.00 0.00 179.25 178.91 1o6x h VAL 62 N 0.10 1.40 -0.61 0.00 2.07 -0.68 -0.89 116.25 117.64 1o6x h VAL 62 Ca 0.56 -1.38 0.13 0.00 0.82 0.00 0.00 66.70 66.83 1o6x h VAL 62 Cb 1.15 2.15 -0.03 0.00 -1.52 0.00 0.00 31.29 33.03 1o6x h VAL 62 CO -0.77 0.39 0.42 0.50 0.02 0.00 0.00 177.57 178.12 1o6x h LYS 63 N -0.27 0.24 -0.05 1.57 3.64 0.42 0.11 116.57 122.23 1o6x h LYS 63 Ca 0.01 -0.01 -0.19 0.00 -1.27 0.00 0.00 60.65 59.18 1o6x h LYS 63 Cb 0.68 -0.06 0.01 0.00 -0.41 0.00 0.00 32.23 32.46 1o6x h LYS 63 CO 0.03 0.16 -0.71 0.28 -2.27 0.00 0.00 179.45 176.94 1o6x h VAL 64 N 0.25 1.35 -0.58 2.00 2.07 0.23 -2.89 116.25 118.68 1o6x h VAL 64 Ca 0.29 -2.03 0.07 0.00 0.82 0.00 0.00 66.70 65.85 1o6x h VAL 64 Cb 0.81 2.33 -0.06 0.00 -1.52 0.00 0.00 31.29 32.85 1o6x h VAL 64 CO -0.06 0.61 0.27 0.15 0.02 0.00 0.00 177.57 178.56 1o6x h PHE 65 N 0.19 0.49 0.68 1.57 3.57 0.60 0.43 116.94 124.48 1o6x h PHE 65 Ca -0.07 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.42 1o6x h PHE 65 Cb 1.38 -0.13 0.00 0.00 2.79 0.00 0.00 35.95 39.98 1o6x h PHE 65 CO 0.12 0.20 -0.38 -0.07 -2.23 0.00 0.00 178.31 175.95 1o6x h LEU 66 N 0.51 -0.93 -1.60 0.59 3.38 -1.15 0.74 115.31 116.86 1o6x h LEU 66 Ca 0.27 0.04 0.21 0.00 0.09 0.00 0.00 57.88 58.49 1o6x h LEU 66 Cb 0.24 0.26 -0.06 0.00 0.09 0.00 0.00 40.66 41.19 1o6x h LEU 66 CO -0.22 -0.60 0.59 -0.33 0.09 0.00 0.00 178.44 177.97 1o6x h GLU 67 N -0.97 0.33 -0.24 1.13 4.39 -1.28 0.23 114.58 118.16 1o6x h GLU 67 Ca -0.09 -0.02 -0.13 0.00 0.34 0.00 0.00 59.36 59.46 1o6x h GLU 67 Cb 0.77 -0.07 -0.00 0.00 -0.10 0.00 0.00 28.75 29.34 1o6x h GLU 67 CO 0.12 0.22 -0.34 0.66 -1.16 0.00 0.00 179.01 178.50 1o6x h SER 68 N 0.34 0.71 -0.02 1.42 4.64 0.45 -2.63 113.55 118.45 1o6x h SER 68 Ca 0.45 -0.51 0.00 0.00 -0.47 0.00 0.00 61.79 61.26 1o6x h SER 68 Cb 1.21 -0.20 0.00 0.00 -0.31 0.00 0.00 62.40 63.10 1o6x h SER 68 CO -0.15 1.09 0.00 0.00 -0.87 0.00 0.00 176.83 176.90 1o6x n GLN 69 N -4.26 1.06 -3.79 4.77 10.64 0.25 -4.88 117.38 121.17 1o6x n GLN 69 Ca -0.05 -0.09 -0.26 0.00 -1.83 0.00 0.00 57.00 54.77 1o6x n GLN 69 Cb 0.50 -1.05 0.01 0.00 -0.86 0.00 0.00 30.24 28.85 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 0.57 -0.50 3.80 2.61 0.00 0.17 -4.75 105.19 107.10 1o6x n GLY 70 Ca 0.02 0.25 -0.26 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 -3.72 2.03 -0.15 -0.61 2.07 -0.60 -5.02 121.20 115.20 1o6x s ILE 71 Ca 0.16 -1.63 0.00 0.00 -1.41 0.00 0.00 60.65 57.77 1o6x s ILE 71 Cb -0.05 -2.66 0.02 0.00 0.13 0.00 0.00 42.46 39.90 1o6x s ILE 71 CO 0.86 0.00 -0.13 0.00 -1.91 0.00 0.00 174.94 173.76 1o6x s ALA 72 N -2.67 1.78 0.00 1.50 0.00 -1.26 -4.58 121.76 116.53 1o6x s ALA 72 Ca 0.36 -0.87 0.00 0.00 0.00 0.00 0.00 51.96 51.44 1o6x s ALA 72 Cb 0.01 -1.05 0.00 0.00 0.00 0.00 0.00 23.12 22.08 1o6x s ALA 72 CO 0.21 -0.43 0.00 2.48 0.00 0.00 0.00 175.76 178.01 1o6x n TYR 73 N 4.79 0.00 -3.81 0.00 4.11 -1.26 -0.96 117.16 120.04 1o6x n TYR 73 Ca -0.16 0.00 -0.05 0.00 -0.00 0.00 0.00 57.90 57.69 1o6x n TYR 73 Cb 0.50 0.00 -0.00 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 -0.67 -0.14 -0.22 9.48 0.01 0.24 -4.94 113.70 117.46 1o6x s SER 74 Ca 0.00 -0.59 -0.11 0.00 1.31 0.00 0.00 55.95 56.56 1o6x s SER 74 Cb 0.00 0.59 -0.05 0.00 0.21 0.00 0.00 66.02 66.77 1o6x s SER 74 CO 0.00 -1.12 0.18 -0.63 0.41 0.00 0.00 173.24 172.08 1o6x s ILE 75 N -3.12 5.36 -0.25 1.44 1.01 -1.26 -0.73 121.20 123.64 1o6x s ILE 75 Ca 0.14 0.25 -0.15 0.00 0.00 0.00 0.00 60.65 60.89 1o6x s ILE 75 Cb -0.03 -3.52 -0.12 0.00 0.01 0.00 0.00 42.46 38.80 1o6x s ILE 75 CO 0.05 0.37 -0.29 0.80 0.00 0.00 0.00 174.94 175.87 1o6x n MET 76 N 4.05 0.57 -3.79 2.79 1.56 -1.24 -4.85 117.12 116.20 1o6x n MET 76 Ca -0.15 0.30 -0.13 0.00 -0.27 0.00 0.00 57.70 57.45 1o6x n MET 76 Cb 0.52 -1.52 -0.14 0.00 2.15 0.00 0.00 33.22 34.24 1o6x n MET 76 CO 0.00 0.00 0.00 -1.50 -0.73 0.00 0.00 175.97 173.74 1o6x s ILE 77 N -2.55 -0.02 0.00 1.12 1.10 -1.26 -5.06 121.20 114.52 1o6x s ILE 77 Ca -0.35 0.08 0.00 0.00 -0.51 0.00 0.00 60.65 59.87 1o6x s ILE 77 Cb 0.12 -0.20 0.00 0.00 0.15 0.00 0.00 42.46 42.52 1o6x s ILE 77 CO 0.48 0.03 0.00 1.21 -2.11 0.00 0.00 174.94 174.56 1o6x n GLU 78 N 3.56 2.90 -1.73 3.50 2.13 -1.26 -3.20 120.64 126.54 1o6x n GLU 78 Ca -0.19 0.00 -0.40 0.00 0.66 0.00 0.00 57.16 57.23 1o6x n GLU 78 Cb 0.56 0.00 -0.01 0.00 0.27 0.00 0.00 31.44 32.25 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 7.19 -4.58 4.31 8.00 -1.26 -4.91 116.55 125.30 1o6x n ASP 79 Ca 0.00 -2.87 -0.42 0.00 0.71 0.00 0.00 54.79 52.22 1o6x n ASP 79 Cb 0.00 -1.51 -0.03 0.00 -0.02 0.00 0.00 41.12 39.57 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 1.09 3.72 -2.00 2.53 0.11 -1.26 -5.25 120.40 119.35 1o6x s VAL 80 Ca 0.57 0.66 0.05 0.00 -2.93 0.00 0.00 61.98 60.32 1o6x s VAL 80 Cb 0.16 -4.21 0.14 0.00 -1.53 0.00 0.00 36.38 30.94 1o6x s VAL 80 CO -0.07 -0.93 0.76 0.00 -3.33 0.00 0.00 175.10 171.54