#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1m1p s LYS 4 N 0.00 3.76 0.45 3.69 -0.14 -1.26 -1.29 119.74 124.94 1m1p s LYS 4 Ca 0.00 1.53 0.10 0.00 -1.36 0.00 0.00 55.97 56.24 1m1p s LYS 4 Cb 0.00 -2.21 1.00 0.00 -1.68 0.00 0.00 37.83 34.93 1m1p s LYS 4 CO 0.00 -0.50 2.09 1.25 -0.76 0.00 0.00 175.35 177.43 1m1p h LEU 5 N 1.74 0.31 -0.30 3.17 5.85 -0.82 -1.77 115.31 123.49 1m1p h LEU 5 Ca -0.49 -0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.21 1m1p h LEU 5 Cb 1.23 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 42.17 1m1p h LEU 5 CO 0.59 0.23 0.15 0.77 -0.34 0.00 0.00 178.44 179.84 1m1p h SER 6 N 0.37 0.39 -0.39 1.25 4.64 -1.29 -2.28 113.55 116.24 1m1p h SER 6 Ca 0.10 -0.12 -0.09 0.00 -0.47 0.00 0.00 61.79 61.22 1m1p h SER 6 Cb -0.04 -0.10 -0.02 0.00 -0.31 0.00 0.00 62.40 61.93 1m1p h SER 6 CO -0.02 0.40 -0.08 0.44 -0.87 0.00 0.00 176.83 176.70 1m1p h ASP 7 N 0.36 0.81 -0.53 4.97 3.32 -1.70 -1.66 116.42 121.98 1m1p h ASP 7 Ca 0.10 -0.23 0.03 0.00 0.02 0.00 0.00 57.03 56.95 1m1p h ASP 7 Cb 0.11 -0.22 -0.04 0.00 0.22 0.00 0.00 39.33 39.40 1m1p h ASP 7 CO -0.01 0.92 0.31 0.15 -1.72 0.00 0.00 179.24 178.88 1m1p h PHE 8 N 0.75 0.58 -0.18 4.55 3.57 -1.22 -2.93 116.94 122.05 1m1p h PHE 8 Ca 0.13 0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.58 1m1p h PHE 8 Cb 0.56 -0.18 -0.00 0.00 2.79 0.00 0.00 35.95 39.11 1m1p h PHE 8 CO 0.03 0.33 -0.15 0.45 -2.23 0.00 0.00 178.31 176.74 1m1p h HIS 9 N 0.61 0.49 0.00 0.41 3.86 -1.16 -3.13 115.15 116.24 1m1p h HIS 9 Ca 0.21 -0.14 0.00 0.00 -1.16 0.00 0.00 60.37 59.28 1m1p h HIS 9 Cb 0.04 -0.11 0.00 0.00 1.06 0.00 0.00 27.41 28.40 1m1p h HIS 9 CO -0.07 0.77 0.11 0.00 0.86 0.00 0.00 177.93 179.60 1m1p h ALA 10 N 0.65 1.11 0.16 2.45 0.00 -1.21 -2.76 119.26 119.66 1m1p h ALA 10 Ca 0.03 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 1m1p h ALA 10 Cb 0.67 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.46 1m1p h ALA 10 CO 0.04 -0.11 -0.08 1.05 0.00 0.00 0.00 179.25 180.15 1m1p h GLU 11 N 0.00 -0.21 0.00 0.00 4.11 -1.46 -2.82 114.58 114.20 1m1p h GLU 11 Ca 0.00 0.01 0.00 0.00 0.07 0.00 0.00 59.36 59.44 1m1p h GLU 11 Cb 0.22 0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.52 1m1p h GLU 11 CO 0.00 0.10 0.00 -1.13 0.07 0.00 0.00 179.01 178.05 1m1p n SER 12 N -5.04 0.00 -2.41 3.06 3.41 -1.04 -5.15 113.62 106.45 1m1p n SER 12 Ca -0.09 -0.20 -0.11 0.00 -0.26 0.00 0.00 58.87 58.21 1m1p n SER 12 Cb 0.22 -0.25 -0.03 0.00 -0.26 0.00 0.00 64.21 63.88 1m1p n SER 12 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1m1p n GLY 14 N 1.06 3.66 0.27 5.00 0.00 -1.07 -5.13 105.19 108.98 1m1p n GLY 14 Ca 0.14 -1.94 0.06 0.00 0.00 0.00 0.00 46.02 44.28 1m1p n GLY 14 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1m1p n GLU 16 N -4.47 0.11 -0.26 0.00 0.00 -1.26 -1.72 120.64 113.05 1m1p n GLU 16 Ca -0.01 0.14 0.04 0.00 0.00 0.00 0.00 57.16 57.33 1m1p n GLU 16 Cb 0.12 -1.50 0.18 0.00 0.00 0.00 0.00 31.44 30.24 1m1p n GLU 16 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.13 177.90 1m1p h SER 17 N 0.00 0.35 0.00 -1.84 0.02 -1.76 -3.34 113.55 106.98 1m1p h SER 17 Ca 0.00 0.10 -0.04 0.00 -0.84 0.00 0.00 61.79 61.01 1m1p h SER 17 Cb 0.27 0.05 -0.01 0.00 0.14 0.00 0.00 62.40 62.86 1m1p h SER 17 CO 0.00 0.15 -1.29 0.00 -1.14 0.00 0.00 176.83 174.56 1m1p s HIS 19 N -2.28 2.64 0.10 0.00 3.76 -0.70 -4.12 115.29 114.69 1m1p s HIS 19 Ca -0.02 -0.72 -0.31 0.00 -0.15 0.00 0.00 55.06 53.86 1m1p s HIS 19 Cb 0.03 -1.72 -0.08 0.00 1.11 0.00 0.00 32.58 31.91 1m1p s HIS 19 CO 0.22 -0.22 1.52 0.21 -0.85 0.00 0.00 174.74 175.62 1m1p s LYS 20 N 0.09 4.25 -2.14 1.40 2.47 -1.25 -2.04 119.74 122.52 1m1p s LYS 20 Ca -0.09 2.22 0.00 0.00 -1.56 0.00 0.00 55.97 56.55 1m1p s LYS 20 Cb -0.15 -3.37 0.00 0.00 -1.46 0.00 0.00 37.83 32.85 1m1p s LYS 20 CO 0.06 -0.60 0.00 -0.25 0.16 0.00 0.00 175.35 174.72 1m1p n ASP 21 N 4.65 -5.52 -0.31 1.43 8.00 -1.26 -2.45 116.55 121.08 1m1p n ASP 21 Ca 0.14 0.50 -0.04 0.00 0.71 0.00 0.00 54.79 56.10 1m1p n ASP 21 Cb 0.41 -4.79 -0.02 0.00 -0.02 0.00 0.00 41.12 36.70 1m1p n ASP 21 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1m1p n GLY 22 N -0.37 0.67 3.08 0.44 0.00 -0.86 -5.00 105.19 103.15 1m1p n GLY 22 Ca -0.20 -0.45 -0.24 0.00 0.00 0.00 0.00 46.02 45.13 1m1p n GLY 22 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1m1p s THR 23 N -2.02 1.18 0.33 2.61 2.01 -1.03 -4.93 115.64 113.79 1m1p s THR 23 Ca 0.00 -0.58 -0.28 0.00 0.31 0.00 0.00 61.69 61.14 1m1p s THR 23 Cb 0.00 -1.02 -0.10 0.00 0.01 0.00 0.00 72.50 71.39 1m1p s THR 23 CO 0.00 0.35 1.18 -2.16 -0.69 0.00 0.00 174.62 173.30 1m1p s PRO 24 N 0.08 4.39 0.67 4.92 0.04 -1.26 -3.93 135.00 139.92 1m1p s PRO 24 Ca -0.03 1.94 -0.11 0.00 0.04 0.00 0.00 61.00 62.84 1m1p s PRO 24 Cb -0.10 -3.01 -0.01 0.00 0.04 0.00 0.00 34.50 31.42 1m1p s PRO 24 CO 0.01 -0.06 1.07 -1.54 0.04 0.00 0.00 177.00 176.52 1m1p s SER 25 N -0.83 5.75 0.24 6.66 1.04 -1.26 -4.99 113.70 120.31 1m1p s SER 25 Ca 0.49 1.26 -0.02 0.00 0.48 0.00 0.00 55.95 58.16 1m1p s SER 25 Cb -0.34 -2.16 0.28 0.00 0.10 0.00 0.00 66.02 63.90 1m1p s SER 25 CO 0.44 -1.16 1.69 0.00 0.98 0.00 0.00 173.24 175.20 1m1p h ALA 26 N -0.52 1.00 -0.01 5.32 0.00 -2.05 -3.33 119.26 119.67 1m1p h ALA 26 Ca -0.45 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.14 1m1p h ALA 26 Cb 1.23 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.85 1m1p h ALA 26 CO 0.63 0.60 0.00 -0.40 0.00 0.00 0.00 179.25 180.07 1m1p n ASP 27 N -4.15 1.25 0.00 0.00 3.85 -1.26 -5.00 116.55 111.23 1m1p n ASP 27 Ca 0.01 -1.20 0.00 0.00 -0.71 0.00 0.00 54.79 52.89 1m1p n ASP 27 Cb 0.38 -0.00 0.00 0.00 -1.35 0.00 0.00 41.12 40.14 1m1p n ASP 27 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1m1p n GLY 28 N -0.01 0.88 0.24 6.12 0.00 -1.25 -4.93 105.19 106.24 1m1p n GLY 28 Ca 0.01 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 1m1p n GLY 28 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1m1p h ALA 29 N 0.00 0.59 -0.55 4.61 0.00 -1.94 -1.98 119.26 119.98 1m1p h ALA 29 Ca 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.63 1m1p h ALA 29 Cb 0.00 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.61 1m1p h ALA 29 CO 0.00 0.41 0.35 0.35 0.00 0.00 0.00 179.25 180.36 1m1p h PHE 30 N 0.62 0.71 -0.57 0.00 3.57 -1.94 -1.73 116.94 117.61 1m1p h PHE 30 Ca 0.12 0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.59 1m1p h PHE 30 Cb 0.54 -0.24 -0.02 0.00 2.79 0.00 0.00 35.95 39.02 1m1p h PHE 30 CO 0.04 0.47 0.21 0.93 -2.23 0.00 0.00 178.31 177.73 1m1p h GLU 31 N 0.74 0.85 -0.60 1.11 3.07 -1.68 -1.91 114.58 116.17 1m1p h GLU 31 Ca 0.20 -0.16 -0.02 0.00 -0.50 0.00 0.00 59.36 58.87 1m1p h GLU 31 Cb -0.05 -0.13 -0.03 0.00 -0.84 0.00 0.00 28.75 27.69 1m1p h GLU 31 CO -0.04 0.75 0.28 0.35 -1.40 0.00 0.00 179.01 178.94 1m1p h PHE 32 N 0.78 0.84 -0.77 4.33 3.57 -1.05 -1.08 116.94 123.57 1m1p h PHE 32 Ca 0.19 -0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.63 1m1p h PHE 32 Cb 0.22 -0.26 -0.04 0.00 2.79 0.00 0.00 35.95 38.66 1m1p h PHE 32 CO 0.01 0.62 0.39 0.00 -2.23 0.00 0.00 178.31 177.10 1m1p h ALA 33 N 1.46 0.99 -0.58 2.41 0.00 -0.82 -2.59 119.26 120.13 1m1p h ALA 33 Ca 0.21 -0.14 -0.08 0.00 0.00 0.00 0.00 54.91 54.90 1m1p h ALA 33 Cb 0.10 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 1m1p h ALA 33 CO -0.03 0.53 0.07 1.96 0.00 0.00 0.00 179.25 181.79 1m1p h GLN 34 N 1.08 0.98 -0.73 0.00 1.08 -0.60 -0.55 115.11 116.36 1m1p h GLN 34 Ca 0.27 -0.28 0.09 0.00 -1.45 0.00 0.00 58.65 57.28 1m1p h GLN 34 Cb 0.09 -0.11 -0.07 0.00 -0.05 0.00 0.00 27.48 27.34 1m1p h GLN 34 CO -0.04 0.94 0.37 0.00 -0.95 0.00 0.00 178.83 179.16 1m1p h GLN 36 N 0.63 0.54 -0.50 0.00 4.20 -1.31 -1.34 115.11 117.33 1m1p h GLN 36 Ca 0.36 -0.28 0.05 0.00 0.06 0.00 0.00 58.65 58.84 1m1p h GLN 36 Cb 0.37 0.01 -0.05 0.00 0.30 0.00 0.00 27.48 28.11 1m1p h GLN 36 CO -0.26 0.87 0.23 1.03 -0.67 0.00 0.00 178.83 180.03 1m1p h SER 37 N 0.44 0.31 0.32 1.46 0.87 -0.28 -0.23 113.55 116.44 1m1p h SER 37 Ca 0.03 0.04 -0.33 0.00 -1.23 0.00 0.00 61.79 60.30 1m1p h SER 37 Cb 0.93 -0.01 0.00 0.00 -0.44 0.00 0.00 62.40 62.88 1m1p h SER 37 CO 0.08 0.21 -1.64 0.00 -0.53 0.00 0.00 176.83 174.96 1m1p n HIS 39 N -3.52 0.06 0.00 0.00 8.25 -0.51 -5.11 115.22 114.39 1m1p n HIS 39 Ca -0.20 0.02 0.00 0.00 -0.26 0.00 0.00 57.72 57.28 1m1p n HIS 39 Cb 1.06 -0.89 0.00 0.00 1.12 0.00 0.00 29.99 31.28 1m1p n HIS 39 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1m1p n GLY 40 N 1.62 -1.72 3.81 -1.41 0.00 -0.10 -5.04 105.19 102.34 1m1p n GLY 40 Ca -0.25 -2.19 -0.24 0.00 0.00 0.00 0.00 46.02 43.33 1m1p n GLY 40 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1m1p s LYS 41 N -0.65 2.92 0.43 1.61 1.02 -1.26 -4.29 119.74 119.52 1m1p s LYS 41 Ca 0.00 -0.94 0.09 0.00 0.02 0.00 0.00 55.97 55.14 1m1p s LYS 41 Cb 0.00 -2.62 0.93 0.00 -0.52 0.00 0.00 37.83 35.62 1m1p s LYS 41 CO 0.00 0.45 2.07 -0.07 -0.92 0.00 0.00 175.35 176.88 1m1p h LEU 42 N 2.03 0.37 -2.18 3.17 3.38 -1.96 -2.54 115.31 117.58 1m1p h LEU 42 Ca -0.48 -0.01 0.05 0.00 0.09 0.00 0.00 57.88 57.53 1m1p h LEU 42 Cb 1.22 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.87 1m1p h LEU 42 CO 0.62 0.28 0.16 0.77 0.09 0.00 0.00 178.44 180.37 1m1p h SER 43 N 0.43 0.00 -0.68 -0.43 4.64 -1.91 -1.56 113.55 114.04 1m1p h SER 43 Ca 0.11 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.43 1m1p h SER 43 Cb -0.02 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.07 1m1p h SER 43 CO -0.02 0.00 0.00 -0.62 -0.87 0.00 0.00 176.83 175.32 1m1p n GLU 44 N -4.04 2.82 -1.78 4.77 4.71 -0.96 -4.95 120.64 121.21 1m1p n GLU 44 Ca 0.01 -2.60 -0.08 0.00 -0.01 0.00 0.00 57.16 54.48 1m1p n GLU 44 Cb 0.29 -1.55 0.03 0.00 -1.01 0.00 0.00 31.44 29.20 1m1p n GLU 44 CO 0.00 0.00 0.00 -1.33 0.09 0.00 0.00 177.13 175.89 1m1p n MET 45 N 1.46 0.79 -0.28 3.49 2.00 -0.59 -5.04 117.12 118.95 1m1p n MET 45 Ca 0.23 -1.27 -0.05 0.00 0.00 0.00 0.00 57.70 56.60 1m1p n MET 45 Cb 0.62 -0.12 0.04 0.00 0.00 0.00 0.00 33.22 33.76 1m1p n MET 45 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 175.97 175.57 1m1p n ASP 46 N -2.75 -0.54 0.26 7.83 5.68 -1.26 -4.36 116.55 121.42 1m1p n ASP 46 Ca 0.07 -0.87 0.14 0.00 -0.50 0.00 0.00 54.79 53.62 1m1p n ASP 46 Cb 0.25 -0.18 0.70 0.00 -1.14 0.00 0.00 41.12 40.74 1m1p n ASP 46 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1m1p h ALA 47 N -2.04 1.13 0.24 2.12 0.00 -1.96 0.21 119.26 118.96 1m1p h ALA 47 Ca -0.08 -0.10 -0.33 0.00 0.00 0.00 0.00 54.91 54.40 1m1p h ALA 47 Cb 0.22 -0.02 0.03 0.00 0.00 0.00 0.00 17.79 18.03 1m1p h ALA 47 CO 0.05 0.14 -1.50 0.28 0.00 0.00 0.00 179.25 178.22 1m1p h VAL 48 N 0.00 1.23 0.00 0.00 2.07 -1.92 -3.41 116.25 114.22 1m1p h VAL 48 Ca -0.00 -2.65 -0.02 0.00 0.82 0.00 0.00 66.70 64.85 1m1p h VAL 48 Cb 0.44 3.00 -0.00 0.00 -1.52 0.00 0.00 31.29 33.21 1m1p h VAL 48 CO 0.01 0.81 -0.09 0.45 0.02 0.00 0.00 177.57 178.78 1m1p h HIS 49 N 0.11 0.00 -0.89 1.57 3.86 -1.76 -3.39 115.15 114.64 1m1p h HIS 49 Ca -0.27 0.00 0.13 0.00 -1.16 0.00 0.00 60.37 59.07 1m1p h HIS 49 Cb 2.13 0.00 -0.09 0.00 1.06 0.00 0.00 27.41 30.51 1m1p h HIS 49 CO 0.13 0.89 0.51 -0.22 0.86 0.00 0.00 177.93 180.10 1m1p h LYS 50 N -1.00 0.76 0.00 2.45 3.64 -1.04 -1.45 116.57 119.94 1m1p h LYS 50 Ca -0.02 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.31 1m1p h LYS 50 Cb 0.88 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 32.53 1m1p h LYS 50 CO -0.01 0.50 0.06 -1.35 -2.27 0.00 0.00 179.45 176.38 1m1p h PRO 51 N 0.79 0.00 -0.02 1.90 0.11 -1.79 -1.79 132.00 131.20 1m1p h PRO 51 Ca 0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.57 1m1p h PRO 51 Cb 0.54 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.65 1m1p h PRO 51 CO -0.30 0.00 -0.03 0.72 -0.21 0.00 0.00 178.00 178.18 1m1p n HIS 52 N -2.59 0.00 -1.64 0.65 8.25 -0.54 -4.86 115.22 114.49 1m1p n HIS 52 Ca -0.02 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.02 1m1p n HIS 52 Cb 0.10 -0.01 -0.03 0.00 1.12 0.00 0.00 29.99 31.18 1m1p n HIS 52 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 1m1p s ASP 53 N -2.04 5.34 0.00 0.41 2.15 -0.67 -1.32 116.67 120.53 1m1p s ASP 53 Ca 0.33 1.70 0.00 0.00 0.43 0.00 0.00 52.55 55.01 1m1p s ASP 53 Cb 0.20 -2.51 0.00 0.00 -0.30 0.00 0.00 42.92 40.31 1m1p s ASP 53 CO 0.34 -2.08 0.00 0.61 -0.17 0.00 0.00 175.17 173.87 1m1p n GLY 54 N 5.77 0.18 0.00 2.66 0.00 -1.26 -4.90 105.19 107.65 1m1p n GLY 54 Ca 0.30 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.32 1m1p n GLY 54 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1m1p n ASN 55 N 0.00 4.97 -4.41 1.61 6.94 -0.43 -5.07 115.26 118.87 1m1p n ASN 55 Ca 0.00 0.00 -0.25 0.00 -0.02 0.00 0.00 54.58 54.31 1m1p n ASN 55 Cb 0.00 0.65 -0.11 0.00 -2.36 0.00 0.00 39.78 37.95 1m1p n ASN 55 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 1m1p s LEU 56 N -3.69 2.47 0.35 -4.53 1.43 -0.73 -5.13 118.68 108.85 1m1p s LEU 56 Ca 0.00 -0.90 0.01 0.00 -1.03 0.00 0.00 54.13 52.21 1m1p s LEU 56 Cb 0.00 -1.06 -0.03 0.00 0.03 0.00 0.00 46.19 45.13 1m1p s LEU 56 CO 0.00 0.06 0.55 0.68 0.23 0.00 0.00 176.35 177.87 1m1p s VAL 57 N -1.96 4.97 0.29 -1.59 -7.23 -1.26 -4.80 120.40 108.81 1m1p s VAL 57 Ca 0.21 -0.49 0.03 0.00 -1.81 0.00 0.00 61.98 59.91 1m1p s VAL 57 Cb -0.07 -3.81 0.28 0.00 0.56 0.00 0.00 36.38 33.34 1m1p s VAL 57 CO 0.10 -0.52 1.80 0.00 -0.31 0.00 0.00 175.10 176.17 1m1p n ALA 59 N -2.35 1.63 0.27 0.00 0.00 -1.26 -1.26 120.51 117.55 1m1p n ALA 59 Ca 0.20 0.06 0.14 0.00 0.00 0.00 0.00 53.44 53.85 1m1p n ALA 59 Cb 0.45 -1.35 0.78 0.00 0.00 0.00 0.00 19.45 19.33 1m1p n ALA 59 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1m1p h ASP 60 N 0.00 0.00 0.00 0.00 3.32 -1.72 -3.34 116.42 114.68 1m1p h ASP 60 Ca 0.00 0.00 -0.20 0.00 0.02 0.00 0.00 57.03 56.85 1m1p h ASP 60 Cb 0.32 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.84 1m1p h ASP 60 CO 0.00 0.09 -1.67 0.00 -1.72 0.00 0.00 179.24 175.93 1m1p s HIS 62 N -2.22 2.84 -0.88 0.00 3.76 -0.39 -4.70 115.29 113.70 1m1p s HIS 62 Ca -0.17 -0.84 -0.22 0.00 -0.15 0.00 0.00 55.06 53.69 1m1p s HIS 62 Cb 0.06 -4.24 0.08 0.00 1.11 0.00 0.00 32.58 29.59 1m1p s HIS 62 CO 0.22 -1.55 1.23 0.00 -0.85 0.00 0.00 174.74 173.79 1m1p s ALA 63 N 3.47 3.01 0.15 -1.40 0.00 -1.26 -4.18 121.76 121.56 1m1p s ALA 63 Ca 0.23 -2.24 0.19 0.00 0.00 0.00 0.00 51.96 50.14 1m1p s ALA 63 Cb -0.15 -4.21 0.65 0.00 0.00 0.00 0.00 23.12 19.42 1m1p s ALA 63 CO 0.04 -3.20 1.72 -0.39 0.00 0.00 0.00 175.76 173.93 1m1p h VAL 64 N 6.21 0.87 0.00 0.00 -1.51 -1.90 -0.43 116.25 119.50 1m1p h VAL 64 Ca 0.03 -1.55 0.00 0.00 -1.23 0.00 0.00 66.70 63.95 1m1p h VAL 64 Cb 1.03 1.95 0.00 0.00 -2.13 0.00 0.00 31.29 32.14 1m1p h VAL 64 CO 1.25 0.37 -0.30 1.41 -1.23 0.00 0.00 177.57 179.08 1m1p n HIS 65 N -3.51 0.10 -0.07 5.19 8.25 -1.26 -0.89 115.22 123.02 1m1p n HIS 65 Ca -0.00 0.03 -0.06 0.00 -0.26 0.00 0.00 57.72 57.43 1m1p n HIS 65 Cb 0.52 -0.42 -0.13 0.00 1.12 0.00 0.00 29.99 31.08 1m1p n HIS 65 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 1m1p n ASP 66 N -1.59 0.92 -4.84 0.41 8.00 -0.68 -4.91 116.55 113.86 1m1p n ASP 66 Ca 0.06 0.00 -0.34 0.00 0.71 0.00 0.00 54.79 55.22 1m1p n ASP 66 Cb 0.35 1.05 -0.06 0.00 -0.02 0.00 0.00 41.12 42.44 1m1p n ASP 66 CO 0.00 0.00 0.00 -0.04 -0.39 0.00 0.00 177.20 176.77 1m1p s MET 67 N -2.53 3.29 0.66 -1.24 -1.94 -0.26 -5.00 119.30 112.28 1m1p s MET 67 Ca -0.08 -0.33 -0.11 0.00 -1.71 0.00 0.00 55.69 53.46 1m1p s MET 67 Cb 0.06 -3.02 -0.01 0.00 2.01 0.00 0.00 34.83 33.86 1m1p s MET 67 CO 0.69 0.70 1.05 -0.80 -0.01 0.00 0.00 175.02 176.64 1m1p s ASN 68 N -1.56 5.79 0.27 3.03 0.01 -1.26 -0.96 114.94 120.27 1m1p s ASN 68 Ca 0.22 1.46 -0.30 0.00 -0.71 0.00 0.00 52.86 53.52 1m1p s ASN 68 Cb -0.12 -2.41 -0.12 0.00 0.41 0.00 0.00 41.25 39.01 1m1p s ASN 68 CO 0.12 -1.16 1.62 0.52 -1.51 0.00 0.00 177.10 176.69 1m1p n VAL 69 N -2.94 0.82 0.00 1.60 0.31 -0.41 -2.20 118.33 115.50 1m1p n VAL 69 Ca 0.07 -0.20 0.00 0.00 -0.01 0.00 0.00 64.34 64.19 1m1p n VAL 69 Cb 0.54 -1.95 0.00 0.00 -0.91 0.00 0.00 33.84 31.52 1m1p n VAL 69 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1m1p n GLY 70 N 2.51 2.44 3.65 2.92 0.00 -1.26 -4.96 105.19 110.49 1m1p n GLY 70 Ca 0.10 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.69 1m1p n GLY 70 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1m1p s GLN 71 N -0.47 4.17 -0.01 1.61 0.74 -0.94 -5.02 119.66 119.74 1m1p s GLN 71 Ca 0.00 1.19 -0.21 0.00 0.05 0.00 0.00 55.36 56.39 1m1p s GLN 71 Cb 0.00 -3.68 -0.05 0.00 1.10 0.00 0.00 33.01 30.38 1m1p s GLN 71 CO 0.00 -0.73 0.61 0.15 -0.55 0.00 0.00 175.29 174.77 1m1p s LYS 72 N 3.34 4.34 0.49 1.67 1.02 -1.26 -4.83 119.74 124.51 1m1p s LYS 72 Ca 0.43 0.75 -0.23 0.00 0.02 0.00 0.00 55.97 56.95 1m1p s LYS 72 Cb -0.14 -3.36 -0.08 0.00 -0.52 0.00 0.00 37.83 33.73 1m1p s LYS 72 CO 0.10 0.32 1.11 -2.30 -0.92 0.00 0.00 175.35 173.66 1m1p n PRO 73 N 2.88 1.42 -3.46 -1.68 -0.02 -1.26 -5.03 135.00 127.85 1m1p n PRO 73 Ca -0.06 0.52 -0.23 0.00 -2.02 0.00 0.00 63.50 61.71 1m1p n PRO 73 Cb 0.51 -2.24 0.03 0.00 -0.02 0.00 0.00 33.50 31.78 1m1p n PRO 73 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1m1p s THR 74 N -1.33 1.83 -0.06 3.45 -4.23 -1.26 -4.76 115.64 109.28 1m1p s THR 74 Ca 0.67 -1.24 0.01 0.00 -1.18 0.00 0.00 61.69 59.95 1m1p s THR 74 Cb -0.48 -2.08 -0.00 0.00 1.34 0.00 0.00 72.50 71.27 1m1p s THR 74 CO 0.53 0.00 0.16 0.00 -0.54 0.00 0.00 174.62 174.77 1m1p n GLU 76 N -0.75 0.23 0.19 0.00 0.00 -1.26 -2.04 120.64 117.01 1m1p n GLU 76 Ca 0.00 0.36 0.14 0.00 0.00 0.00 0.00 57.16 57.67 1m1p n GLU 76 Cb 0.02 -1.87 0.53 0.00 0.00 0.00 0.00 31.44 30.12 1m1p n GLU 76 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.13 177.79 1m1p h SER 77 N 0.00 0.00 0.00 -1.84 4.64 -2.01 -3.36 113.55 110.98 1m1p h SER 77 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1m1p h SER 77 Cb 0.49 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.58 1m1p h SER 77 CO 0.00 0.00 -0.28 0.00 -0.87 0.00 0.00 176.83 175.68 1m1p s HIS 79 N -0.66 2.37 -2.88 0.00 3.76 -0.86 -5.03 115.29 111.98 1m1p s HIS 79 Ca 0.00 -0.76 0.24 0.00 -0.15 0.00 0.00 55.06 54.38 1m1p s HIS 79 Cb 0.00 -1.56 0.17 0.00 1.11 0.00 0.00 32.58 32.30 1m1p s HIS 79 CO 0.00 -0.25 1.24 -0.25 -0.85 0.00 0.00 174.74 174.62 1m1p n ASP 80 N 3.10 2.89 -0.70 1.40 10.43 -1.26 -4.24 116.55 128.17 1m1p n ASP 80 Ca -0.18 -1.95 0.10 0.00 2.57 0.00 0.00 54.79 55.34 1m1p n ASP 80 Cb 0.52 0.04 0.31 0.00 1.84 0.00 0.00 41.12 43.83 1m1p n ASP 80 CO 0.00 0.00 0.00 -0.90 -1.07 0.00 0.00 177.20 175.23 1m1p n ASP 81 N 1.22 2.10 -0.02 -2.24 5.75 -1.26 -4.94 116.55 117.16 1m1p n ASP 81 Ca 0.13 -1.81 -0.00 0.00 -0.01 0.00 0.00 54.79 53.10 1m1p n ASP 81 Cb 0.58 -0.16 -0.00 0.00 -1.03 0.00 0.00 41.12 40.51 1m1p n ASP 81 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1m1p n GLY 82 N 1.21 0.46 3.74 6.12 0.00 -1.26 -5.02 105.19 110.43 1m1p n GLY 82 Ca 0.16 -0.14 -0.37 0.00 0.00 0.00 0.00 46.02 45.68 1m1p n GLY 82 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1m1p s ARG 83 N -0.47 2.64 0.25 1.61 1.70 -1.26 -5.04 118.95 118.38 1m1p s ARG 83 Ca 0.00 2.00 0.03 0.00 -0.47 0.00 0.00 55.73 57.29 1m1p s ARG 83 Cb 0.00 -1.86 -0.05 0.00 -0.57 0.00 0.00 34.95 32.46 1m1p s ARG 83 CO 0.00 -1.51 0.04 0.95 -1.08 0.00 0.00 175.30 173.69 1m1p s THR 84 N -1.45 0.88 0.34 4.99 -4.23 -1.26 -4.55 115.64 110.36 1m1p s THR 84 Ca 0.81 -2.01 0.02 0.00 -1.18 0.00 0.00 61.69 59.33 1m1p s THR 84 Cb -0.36 -2.48 0.24 0.00 1.34 0.00 0.00 72.50 71.24 1m1p s THR 84 CO 0.38 -0.20 1.97 0.77 -0.54 0.00 0.00 174.62 177.01 1m1p h SER 85 N 2.41 0.72 -0.68 3.99 4.64 -1.97 -2.27 113.55 120.40 1m1p h SER 85 Ca -0.38 -0.04 0.00 0.00 -0.47 0.00 0.00 61.79 60.89 1m1p h SER 85 Cb 1.23 -0.18 -0.03 0.00 -0.31 0.00 0.00 62.40 63.11 1m1p h SER 85 CO 0.64 0.57 0.43 0.00 -0.87 0.00 0.00 176.83 177.60 1m1p h ALA 86 N 1.55 0.86 -0.10 5.18 0.00 -1.98 -1.37 119.26 123.40 1m1p h ALA 86 Ca 0.22 -0.07 -0.07 0.00 0.00 0.00 0.00 54.91 54.99 1m1p h ALA 86 Cb -0.01 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 1m1p h ALA 86 CO -0.04 0.32 -0.27 0.66 0.00 0.00 0.00 179.25 179.92 1m1p h SER 87 N 0.92 0.17 0.33 0.00 4.64 -1.82 -3.18 113.55 114.61 1m1p h SER 87 Ca 0.25 -0.05 -0.33 0.00 -0.47 0.00 0.00 61.79 61.19 1m1p h SER 87 Cb -0.06 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 61.98 1m1p h SER 87 CO -0.05 0.45 -1.63 0.58 -0.87 0.00 0.00 176.83 175.30 1m1p h VAL 88 N 0.16 1.05 0.00 0.95 2.07 -1.29 -3.48 116.25 115.71 1m1p h VAL 88 Ca 0.02 -2.66 0.00 0.00 0.82 0.00 0.00 66.70 64.88 1m1p h VAL 88 Cb 0.57 2.76 0.00 0.00 -1.52 0.00 0.00 31.29 33.10 1m1p h VAL 88 CO 0.04 0.83 0.00 0.18 0.02 0.00 0.00 177.57 178.64