#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1m1p s GLN 3 N 0.00 0.50 0.52 0.00 0.74 -1.26 -5.06 119.66 115.11 1m1p s GLN 3 Ca 0.00 -0.43 -0.19 0.00 0.05 0.00 0.00 55.36 54.78 1m1p s GLN 3 Cb 0.00 -0.41 -0.07 0.00 1.10 0.00 0.00 33.01 33.64 1m1p s GLN 3 CO 0.00 0.10 1.08 0.15 -0.55 0.00 0.00 175.29 176.07 1m1p s LYS 4 N -0.72 3.55 0.33 1.67 -0.14 -1.26 -0.83 119.74 122.33 1m1p s LYS 4 Ca -0.02 1.45 0.06 0.00 -1.36 0.00 0.00 55.97 56.10 1m1p s LYS 4 Cb -0.05 -2.05 0.58 0.00 -1.68 0.00 0.00 37.83 34.63 1m1p s LYS 4 CO 0.00 -0.66 1.82 1.25 -0.76 0.00 0.00 175.35 177.00 1m1p h LEU 5 N 1.27 0.36 -0.25 3.17 5.85 -0.70 -1.83 115.31 123.19 1m1p h LEU 5 Ca -0.49 -0.10 0.01 0.00 0.84 0.00 0.00 57.88 58.14 1m1p h LEU 5 Cb 1.24 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 42.15 1m1p h LEU 5 CO 0.58 0.56 0.13 0.77 -0.34 0.00 0.00 178.44 180.14 1m1p h SER 6 N 0.34 0.19 -0.21 1.25 4.64 -1.19 -2.10 113.55 116.47 1m1p h SER 6 Ca 0.06 0.01 -0.07 0.00 -0.47 0.00 0.00 61.79 61.32 1m1p h SER 6 Cb 0.52 -0.03 -0.02 0.00 -0.31 0.00 0.00 62.40 62.56 1m1p h SER 6 CO 0.03 0.14 -0.10 0.44 -0.87 0.00 0.00 176.83 176.48 1m1p h ASP 7 N 0.27 0.57 -0.54 4.97 3.32 -1.72 0.03 116.42 123.32 1m1p h ASP 7 Ca 0.10 -0.15 -0.01 0.00 0.02 0.00 0.00 57.03 57.00 1m1p h ASP 7 Cb 0.02 -0.15 -0.03 0.00 0.22 0.00 0.00 39.33 39.40 1m1p h ASP 7 CO -0.07 0.71 0.30 0.15 -1.72 0.00 0.00 179.24 178.61 1m1p h PHE 8 N 0.54 0.72 -0.34 4.55 3.57 -1.14 -1.14 116.94 123.70 1m1p h PHE 8 Ca 0.10 -0.01 -0.07 0.00 3.53 0.00 0.00 57.97 61.52 1m1p h PHE 8 Cb 0.50 -0.23 -0.01 0.00 2.79 0.00 0.00 35.95 38.99 1m1p h PHE 8 CO 0.02 0.52 -0.06 0.45 -2.23 0.00 0.00 178.31 177.01 1m1p h HIS 9 N 0.72 0.72 0.00 0.41 3.86 -1.14 -3.34 115.15 116.38 1m1p h HIS 9 Ca 0.19 -0.15 -0.10 0.00 -1.16 0.00 0.00 60.37 59.15 1m1p h HIS 9 Cb 0.02 -0.18 -0.01 0.00 1.06 0.00 0.00 27.41 28.30 1m1p h HIS 9 CO -0.02 0.80 -0.46 0.00 0.86 0.00 0.00 177.93 179.11 1m1p h ALA 10 N 0.82 0.95 -0.54 2.45 0.00 -0.65 -1.55 119.26 120.74 1m1p h ALA 10 Ca 0.09 -0.42 0.10 0.00 0.00 0.00 0.00 54.91 54.68 1m1p h ALA 10 Cb 0.55 -0.07 -0.09 0.00 0.00 0.00 0.00 17.79 18.18 1m1p h ALA 10 CO 0.03 0.58 0.02 1.05 0.00 0.00 0.00 179.25 180.93 1m1p h GLU 11 N 0.00 0.14 0.00 0.00 4.11 -1.34 -0.49 114.58 116.99 1m1p h GLU 11 Ca -0.00 -0.01 -0.03 0.00 0.07 0.00 0.00 59.36 59.39 1m1p h GLU 11 Cb 1.01 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 30.22 1m1p h GLU 11 CO 0.06 0.09 -1.33 -1.13 0.07 0.00 0.00 179.01 176.77 1m1p n SER 12 N -5.22 3.48 0.12 3.06 3.41 -1.25 -4.70 113.62 112.51 1m1p n SER 12 Ca 0.07 0.00 -0.01 0.00 -0.26 0.00 0.00 58.87 58.67 1m1p n SER 12 Cb 0.29 1.15 0.02 0.00 -0.26 0.00 0.00 64.21 65.41 1m1p n SER 12 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 1m1p h GLY 13 N 1.22 0.00 0.00 5.00 0.00 -1.29 -3.50 103.07 104.49 1m1p h GLY 13 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.29 1m1p h GLY 13 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.15 1m1p n GLY 14 N 1.09 -1.35 0.38 4.60 0.00 -0.20 -3.84 105.19 105.88 1m1p n GLY 14 Ca 0.01 -1.42 0.15 0.00 0.00 0.00 0.00 46.02 44.76 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 -4.54 0.13 0.21 0.00 0.00 -1.26 -1.68 120.64 113.50 1m1p n GLU 16 Ca 0.17 0.12 0.08 0.00 0.00 0.00 0.00 57.16 57.53 1m1p n GLU 16 Cb 0.55 -1.50 0.44 0.00 0.00 0.00 0.00 31.44 30.93 1m1p n GLU 16 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.13 177.79 1m1p h SER 17 N 0.00 0.00 0.00 -1.84 4.64 -1.40 -3.33 113.55 111.61 1m1p h SER 17 Ca 0.00 0.00 -0.21 0.00 -0.47 0.00 0.00 61.79 61.11 1m1p h SER 17 Cb 0.29 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.34 1m1p h SER 17 CO 0.00 0.28 -1.78 0.00 -0.87 0.00 0.00 176.83 174.46 1m1p s HIS 19 N -2.28 2.73 -0.01 0.00 3.76 -0.68 -3.96 115.29 114.86 1m1p s HIS 19 Ca -0.07 -0.67 -0.30 0.00 -0.15 0.00 0.00 55.06 53.87 1m1p s HIS 19 Cb 0.03 -1.78 -0.08 0.00 1.11 0.00 0.00 32.58 31.86 1m1p s HIS 19 CO 0.45 -0.21 1.98 0.21 -0.85 0.00 0.00 174.74 176.32 1m1p s LYS 20 N 0.20 4.01 -1.47 1.40 2.20 -1.24 -1.06 119.74 123.77 1m1p s LYS 20 Ca -0.10 2.50 0.00 0.00 -0.36 0.00 0.00 55.97 58.01 1m1p s LYS 20 Cb -0.16 -4.18 0.00 0.00 -1.51 0.00 0.00 37.83 31.98 1m1p s LYS 20 CO 0.06 -1.11 0.00 -0.25 -0.36 0.00 0.00 175.35 173.69 1m1p n ASP 21 N 8.08 -4.55 0.00 1.43 8.00 -1.26 -1.71 116.55 126.54 1m1p n ASP 21 Ca 0.21 0.21 0.00 0.00 0.71 0.00 0.00 54.79 55.92 1m1p n ASP 21 Cb 0.42 -3.93 0.00 0.00 -0.02 0.00 0.00 41.12 37.59 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 -0.68 0.75 3.39 0.44 0.00 -0.22 -4.96 105.19 103.91 1m1p n GLY 22 Ca -0.18 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.50 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 -3.03 3.50 0.42 2.61 2.01 -0.69 -4.92 115.64 115.55 1m1p s THR 23 Ca 0.00 -0.48 -0.26 0.00 0.31 0.00 0.00 61.69 61.27 1m1p s THR 23 Cb 0.00 -2.55 -0.09 0.00 0.01 0.00 0.00 72.50 69.87 1m1p s THR 23 CO 0.00 0.47 1.36 -2.16 -0.69 0.00 0.00 174.62 173.60 1m1p s PRO 24 N 0.85 3.86 0.72 4.92 0.04 -1.26 -3.68 135.00 140.45 1m1p s PRO 24 Ca -0.02 2.29 -0.11 0.00 0.04 0.00 0.00 61.00 63.20 1m1p s PRO 24 Cb -0.15 -2.73 0.02 0.00 0.04 0.00 0.00 34.50 31.69 1m1p s PRO 24 CO 0.01 -0.63 1.08 -1.54 0.04 0.00 0.00 177.00 175.97 1m1p s SER 25 N -0.61 5.22 0.26 6.66 1.04 -1.26 -4.99 113.70 120.03 1m1p s SER 25 Ca 0.58 1.31 0.13 0.00 0.48 0.00 0.00 55.95 58.46 1m1p s SER 25 Cb -0.41 -2.14 0.18 0.00 0.10 0.00 0.00 66.02 63.75 1m1p s SER 25 CO 0.53 -1.51 1.49 0.00 0.98 0.00 0.00 173.24 174.73 1m1p h ALA 26 N -0.77 0.70 -0.00 5.32 0.00 -2.05 -3.36 119.26 119.10 1m1p h ALA 26 Ca -0.45 -0.56 0.00 0.00 0.00 0.00 0.00 54.91 53.90 1m1p h ALA 26 Cb 1.24 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.93 1m1p h ALA 26 CO 0.61 0.77 -0.36 -0.40 0.00 0.00 0.00 179.25 179.87 1m1p n ASP 27 N -3.40 0.69 0.00 0.00 3.85 -1.26 -5.01 116.55 111.42 1m1p n ASP 27 Ca 0.01 -0.85 0.00 0.00 -0.71 0.00 0.00 54.79 53.24 1m1p n ASP 27 Cb 0.72 0.82 0.00 0.00 -1.35 0.00 0.00 41.12 41.31 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 1.11 0.67 0.14 6.12 0.00 -1.26 -4.94 105.19 107.03 1m1p n GLY 28 Ca 0.03 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.93 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 0.29 -0.49 4.61 0.00 -1.94 -1.68 119.26 120.05 1m1p h ALA 29 Ca 0.00 -0.22 0.04 0.00 0.00 0.00 0.00 54.91 54.73 1m1p h ALA 29 Cb 0.07 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.74 1m1p h ALA 29 CO 0.00 0.02 0.25 0.35 0.00 0.00 0.00 179.25 179.88 1m1p h PHE 30 N 0.15 0.47 -0.44 0.00 3.57 -1.93 -1.43 116.94 117.31 1m1p h PHE 30 Ca 0.06 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.57 1m1p h PHE 30 Cb 0.41 -0.14 -0.02 0.00 2.79 0.00 0.00 35.95 39.00 1m1p h PHE 30 CO 0.04 0.24 0.22 0.93 -2.23 0.00 0.00 178.31 177.51 1m1p h GLU 31 N 0.50 0.63 -0.47 1.11 3.07 -1.66 -1.54 114.58 116.21 1m1p h GLU 31 Ca 0.21 -0.09 0.03 0.00 -0.50 0.00 0.00 59.36 59.01 1m1p h GLU 31 Cb 0.10 -0.12 -0.03 0.00 -0.84 0.00 0.00 28.75 27.86 1m1p h GLU 31 CO -0.14 0.53 0.27 0.35 -1.40 0.00 0.00 179.01 178.62 1m1p h PHE 32 N 0.58 0.50 -0.95 4.33 3.57 -1.02 -1.11 116.94 122.84 1m1p h PHE 32 Ca 0.15 0.02 0.08 0.00 3.53 0.00 0.00 57.97 61.75 1m1p h PHE 32 Cb 0.10 -0.16 -0.07 0.00 2.79 0.00 0.00 35.95 38.61 1m1p h PHE 32 CO -0.01 0.28 0.61 0.00 -2.23 0.00 0.00 178.31 176.96 1m1p h ALA 33 N 1.22 1.50 -0.33 2.41 0.00 -0.96 -2.62 119.26 120.48 1m1p h ALA 33 Ca 0.19 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.99 1m1p h ALA 33 Cb 0.04 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 1m1p h ALA 33 CO -0.10 0.34 -0.17 1.96 0.00 0.00 0.00 179.25 181.28 1m1p h GLN 34 N 1.05 0.70 -0.68 0.00 1.08 -0.29 -1.02 115.11 115.95 1m1p h GLN 34 Ca 0.42 -0.31 0.08 0.00 -1.45 0.00 0.00 58.65 57.39 1m1p h GLN 34 Cb 0.26 -0.02 -0.06 0.00 -0.05 0.00 0.00 27.48 27.61 1m1p h GLN 34 CO -0.18 0.91 0.35 0.00 -0.95 0.00 0.00 178.83 178.97 1m1p h GLN 36 N 0.62 0.27 -0.83 0.00 4.20 -1.34 -1.30 115.11 116.74 1m1p h GLN 36 Ca 0.32 -0.14 0.07 0.00 0.06 0.00 0.00 58.65 58.96 1m1p h GLN 36 Cb 0.28 0.00 -0.06 0.00 0.30 0.00 0.00 27.48 28.00 1m1p h GLN 36 CO -0.23 0.67 0.50 0.66 -0.67 0.00 0.00 178.83 179.76 1m1p h SER 37 N 0.23 0.76 0.74 1.46 4.64 -0.34 0.13 113.55 121.16 1m1p h SER 37 Ca 0.02 0.03 -0.08 0.00 -0.47 0.00 0.00 61.79 61.29 1m1p h SER 37 Cb 0.88 -0.13 -0.01 0.00 -0.31 0.00 0.00 62.40 62.82 1m1p h SER 37 CO 0.07 0.47 -1.32 0.00 -0.87 0.00 0.00 176.83 175.18 1m1p n HIS 39 N -2.71 0.00 0.00 0.00 8.25 -0.50 -5.14 115.22 115.11 1m1p n HIS 39 Ca -0.05 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.41 1m1p n HIS 39 Cb 0.68 -0.04 0.00 0.00 1.12 0.00 0.00 29.99 31.75 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 2.03 0.66 3.91 -1.41 0.00 0.43 -5.00 105.19 105.81 1m1p n GLY 40 Ca -0.00 -2.14 -0.27 0.00 0.00 0.00 0.00 46.02 43.60 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 -1.14 3.34 0.42 1.61 1.02 -1.26 -4.27 119.74 119.46 1m1p s LYS 41 Ca 0.00 -0.60 0.14 0.00 0.02 0.00 0.00 55.97 55.52 1m1p s LYS 41 Cb 0.00 -2.93 1.00 0.00 -0.52 0.00 0.00 37.83 35.39 1m1p s LYS 41 CO 0.00 0.54 1.95 -0.07 -0.92 0.00 0.00 175.35 176.85 1m1p h LEU 42 N 2.45 0.41 -1.99 3.17 3.38 -1.96 -0.64 115.31 120.14 1m1p h LEU 42 Ca -0.47 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.51 1m1p h LEU 42 Cb 1.19 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.86 1m1p h LEU 42 CO 0.69 0.24 0.00 0.77 0.09 0.00 0.00 178.44 180.23 1m1p h SER 43 N 0.45 0.00 -0.02 -0.43 4.64 -1.91 -2.36 113.55 113.93 1m1p h SER 43 Ca 0.32 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.64 1m1p h SER 43 Cb 0.64 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.73 1m1p h SER 43 CO -0.10 0.00 -0.37 -0.62 -0.87 0.00 0.00 176.83 174.87 1m1p n GLU 44 N -2.64 1.46 -2.10 4.77 1.02 -0.25 -5.00 120.64 117.90 1m1p n GLU 44 Ca -0.02 -1.10 -0.10 0.00 -0.02 0.00 0.00 57.16 55.93 1m1p n GLU 44 Cb 0.09 -1.42 0.03 0.00 -0.02 0.00 0.00 31.44 30.11 1m1p n GLU 44 CO 0.00 0.00 0.00 -1.33 1.18 0.00 0.00 177.13 176.98 1m1p n MET 45 N 0.17 0.88 -0.94 3.49 2.81 -0.89 -5.00 117.12 117.64 1m1p n MET 45 Ca 0.09 -1.54 -0.22 0.00 -1.81 0.00 0.00 57.70 54.23 1m1p n MET 45 Cb 0.45 -0.05 0.17 0.00 -0.71 0.00 0.00 33.22 33.09 1m1p n MET 45 CO 0.00 0.00 0.00 -0.40 1.51 0.00 0.00 175.97 177.08 1m1p n ASP 46 N -2.50 -1.27 0.08 7.83 5.68 -1.26 -4.35 116.55 120.75 1m1p n ASP 46 Ca 0.06 -1.09 0.10 0.00 -0.50 0.00 0.00 54.79 53.36 1m1p n ASP 46 Cb 0.29 -0.74 0.42 0.00 -1.14 0.00 0.00 41.12 39.95 1m1p n ASP 46 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1m1p n ALA 47 N -4.16 1.66 0.12 2.12 0.00 -1.26 -0.71 120.51 118.28 1m1p n ALA 47 Ca -0.15 0.03 -0.22 0.00 0.00 0.00 0.00 53.44 53.10 1m1p n ALA 47 Cb 0.43 -1.33 -0.15 0.00 0.00 0.00 0.00 19.45 18.40 1m1p n ALA 47 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1m1p h VAL 48 N 0.00 1.23 0.01 0.00 2.07 -1.92 -3.41 116.25 114.24 1m1p h VAL 48 Ca 0.00 -2.73 -0.10 0.00 0.82 0.00 0.00 66.70 64.69 1m1p h VAL 48 Cb 0.32 2.95 -0.01 0.00 -1.52 0.00 0.00 31.29 33.03 1m1p h VAL 48 CO 0.00 0.83 -0.54 0.45 0.02 0.00 0.00 177.57 178.33 1m1p h HIS 49 N 0.12 0.03 -0.78 1.57 3.86 -1.64 -3.40 115.15 114.92 1m1p h HIS 49 Ca -0.26 -0.03 0.11 0.00 -1.16 0.00 0.00 60.37 59.04 1m1p h HIS 49 Cb 2.12 -0.00 -0.08 0.00 1.06 0.00 0.00 27.41 30.50 1m1p h HIS 49 CO 0.11 1.21 0.40 -0.22 0.86 0.00 0.00 177.93 180.29 1m1p h LYS 50 N -0.95 0.63 0.00 2.45 3.64 -0.97 -1.37 116.57 119.99 1m1p h LYS 50 Ca -0.14 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.20 1m1p h LYS 50 Cb 1.16 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.84 1m1p h LYS 50 CO -0.07 0.42 0.03 -1.35 -2.27 0.00 0.00 179.45 176.21 1m1p h PRO 51 N 0.65 0.00 -0.02 1.90 0.11 -1.79 -1.76 132.00 131.10 1m1p h PRO 51 Ca 0.39 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.50 1m1p h PRO 51 Cb 0.45 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.56 1m1p h PRO 51 CO -0.29 0.00 -0.08 0.72 -0.21 0.00 0.00 178.00 178.14 1m1p n HIS 52 N -2.41 0.00 -1.66 0.65 8.25 -0.52 -4.84 115.22 114.68 1m1p n HIS 52 Ca -0.02 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 57.01 1m1p n HIS 52 Cb 0.07 -0.01 -0.03 0.00 1.12 0.00 0.00 29.99 31.14 1m1p n HIS 52 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 1m1p n ASP 53 N 0.53 4.01 0.00 0.41 2.03 -0.66 -1.36 116.55 121.51 1m1p n ASP 53 Ca 0.15 0.89 0.00 0.00 0.52 0.00 0.00 54.79 56.36 1m1p n ASP 53 Cb 0.46 -1.50 0.00 0.00 -0.72 0.00 0.00 41.12 39.37 1m1p n ASP 53 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1m1p n GLY 54 N 4.57 1.14 0.00 0.27 0.00 -1.26 -4.87 105.19 105.04 1m1p n GLY 54 Ca 0.21 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.23 1m1p n GLY 54 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1m1p n ASN 55 N 0.00 4.72 -4.18 1.61 3.02 -0.46 -5.08 115.26 114.88 1m1p n ASN 55 Ca 0.00 0.00 -0.15 0.00 -0.03 0.00 0.00 54.58 54.40 1m1p n ASN 55 Cb 0.00 0.76 -0.11 0.00 -0.61 0.00 0.00 39.78 39.82 1m1p n ASN 55 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1m1p s LEU 56 N -3.65 2.41 0.35 3.41 1.43 -0.81 -5.12 118.68 116.70 1m1p s LEU 56 Ca -0.01 -0.82 0.05 0.00 -1.03 0.00 0.00 54.13 52.33 1m1p s LEU 56 Cb 0.01 -0.33 -0.01 0.00 0.03 0.00 0.00 46.19 45.89 1m1p s LEU 56 CO 0.05 -0.25 0.50 0.68 0.23 0.00 0.00 176.35 177.55 1m1p s VAL 57 N -2.44 4.22 0.24 -1.59 -7.23 -1.26 -4.81 120.40 107.53 1m1p s VAL 57 Ca 0.06 -0.88 -0.04 0.00 -1.81 0.00 0.00 61.98 59.31 1m1p s VAL 57 Cb -0.03 -3.49 0.21 0.00 0.56 0.00 0.00 36.38 33.64 1m1p s VAL 57 CO 0.00 -0.22 1.74 0.00 -0.31 0.00 0.00 175.10 176.31 1m1p n ALA 59 N -2.49 1.36 0.25 0.00 0.00 -1.26 -1.28 120.51 117.09 1m1p n ALA 59 Ca 0.14 0.09 0.14 0.00 0.00 0.00 0.00 53.44 53.81 1m1p n ALA 59 Cb 0.40 -1.29 0.55 0.00 0.00 0.00 0.00 19.45 19.11 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 -1.63 -3.35 116.42 114.76 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 0.17 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.69 1m1p h ASP 60 CO 0.00 0.10 -1.68 0.00 -1.72 0.00 0.00 179.24 175.94 1m1p s HIS 62 N -2.23 2.86 -0.96 0.00 3.76 -0.40 -4.70 115.29 113.62 1m1p s HIS 62 Ca -0.17 -0.89 -0.22 0.00 -0.15 0.00 0.00 55.06 53.64 1m1p s HIS 62 Cb 0.06 -4.26 0.08 0.00 1.11 0.00 0.00 32.58 29.56 1m1p s HIS 62 CO 0.23 -1.56 1.31 0.00 -0.85 0.00 0.00 174.74 173.86 1m1p s ALA 63 N 3.45 2.95 0.24 -1.40 0.00 -1.26 -4.26 121.76 121.49 1m1p s ALA 63 Ca 0.25 -2.36 0.19 0.00 0.00 0.00 0.00 51.96 50.03 1m1p s ALA 63 Cb -0.13 -4.32 0.79 0.00 0.00 0.00 0.00 23.12 19.46 1m1p s ALA 63 CO 0.03 -3.35 1.80 -0.39 0.00 0.00 0.00 175.76 173.85 1m1p h VAL 64 N 6.39 0.92 0.00 0.00 -1.51 -1.90 -0.96 116.25 119.19 1m1p h VAL 64 Ca 0.14 -1.35 0.00 0.00 -1.23 0.00 0.00 66.70 64.26 1m1p h VAL 64 Cb 1.02 1.80 0.00 0.00 -2.13 0.00 0.00 31.29 31.98 1m1p h VAL 64 CO 1.30 0.34 -0.17 1.41 -1.23 0.00 0.00 177.57 179.22 1m1p n HIS 65 N -3.65 0.24 -0.02 5.19 8.25 -1.26 -0.71 115.22 123.26 1m1p n HIS 65 Ca -0.01 0.07 0.02 0.00 -0.26 0.00 0.00 57.72 57.54 1m1p n HIS 65 Cb 0.45 -0.55 -0.07 0.00 1.12 0.00 0.00 29.99 30.94 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 -1.71 2.90 -4.85 0.41 8.00 -0.63 -4.89 116.55 115.78 1m1p n ASP 66 Ca 0.06 0.00 -0.31 0.00 0.71 0.00 0.00 54.79 55.25 1m1p n ASP 66 Cb 0.37 1.19 -0.05 0.00 -0.02 0.00 0.00 41.12 42.60 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 -2.50 3.21 0.48 -1.24 -1.94 -0.46 -5.01 119.30 111.85 1m1p s MET 67 Ca -0.04 -0.52 -0.11 0.00 -1.71 0.00 0.00 55.69 53.32 1m1p s MET 67 Cb 0.05 -2.92 -0.06 0.00 2.01 0.00 0.00 34.83 33.91 1m1p s MET 67 CO 0.37 0.61 0.87 -0.80 -0.01 0.00 0.00 175.02 176.06 1m1p s ASN 68 N -2.32 6.46 0.14 3.03 0.01 -1.26 -0.92 114.94 120.08 1m1p s ASN 68 Ca 0.31 1.26 -0.35 0.00 -0.71 0.00 0.00 52.86 53.37 1m1p s ASN 68 Cb -0.13 -2.38 -0.15 0.00 0.41 0.00 0.00 41.25 39.00 1m1p s ASN 68 CO 0.23 -0.55 1.46 0.52 -1.51 0.00 0.00 177.10 177.25 1m1p n VAL 69 N -1.77 0.12 -0.00 1.60 0.31 -0.01 -1.26 118.33 117.32 1m1p n VAL 69 Ca 0.04 -0.03 0.00 0.00 -0.01 0.00 0.00 64.34 64.34 1m1p n VAL 69 Cb 0.54 -1.25 0.00 0.00 -0.91 0.00 0.00 33.84 32.22 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 2.94 1.57 3.66 2.92 0.00 -1.26 -4.89 105.19 110.13 1m1p n GLY 70 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 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 4.26 -0.03 1.61 0.74 -0.39 -5.03 119.66 120.35 1m1p s GLN 71 Ca 0.00 1.11 -0.18 0.00 0.05 0.00 0.00 55.36 56.34 1m1p s GLN 71 Cb 0.00 -3.61 -0.05 0.00 1.10 0.00 0.00 33.01 30.45 1m1p s GLN 71 CO 0.00 -0.47 0.50 0.15 -0.55 0.00 0.00 175.29 174.92 1m1p s LYS 72 N 2.63 4.20 0.33 1.67 1.02 -1.26 -4.85 119.74 123.48 1m1p s LYS 72 Ca 0.39 0.55 -0.29 0.00 0.02 0.00 0.00 55.97 56.64 1m1p s LYS 72 Cb -0.16 -3.32 -0.11 0.00 -0.52 0.00 0.00 37.83 33.72 1m1p s LYS 72 CO 0.10 0.43 1.50 -2.14 -0.92 0.00 0.00 175.35 174.32 1m1p s PRO 73 N -0.31 4.15 0.12 -1.68 0.02 -1.26 -5.02 135.00 131.03 1m1p s PRO 73 Ca 0.27 2.51 0.04 0.00 0.02 0.00 0.00 61.00 63.84 1m1p s PRO 73 Cb -0.17 -3.01 -0.04 0.00 0.02 0.00 0.00 34.50 31.30 1m1p s PRO 73 CO 0.14 -0.52 0.13 0.95 -0.33 0.00 0.00 177.00 177.37 1m1p s THR 74 N -0.62 4.65 -0.36 0.99 -4.23 -1.26 -4.97 115.64 109.84 1m1p s THR 74 Ca 0.57 -0.86 0.21 0.00 -1.18 0.00 0.00 61.69 60.43 1m1p s THR 74 Cb -0.46 -3.31 0.25 0.00 1.34 0.00 0.00 72.50 70.32 1m1p s THR 74 CO 0.55 0.01 1.52 0.00 -0.54 0.00 0.00 174.62 176.16 1m1p n GLU 76 N -3.09 0.20 0.13 0.00 0.00 -1.26 -1.44 120.64 115.17 1m1p n GLU 76 Ca 0.03 0.14 0.16 0.00 0.00 0.00 0.00 57.16 57.48 1m1p n GLU 76 Cb 0.58 -1.50 0.70 0.00 0.00 0.00 0.00 31.44 31.22 1m1p n GLU 76 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.13 177.90 1m1p h SER 77 N 0.00 0.00 0.00 -1.84 0.02 -2.01 -3.37 113.55 106.35 1m1p h SER 77 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1m1p h SER 77 Cb 0.19 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.73 1m1p h SER 77 CO 0.00 0.00 -0.34 0.00 -1.14 0.00 0.00 176.83 175.35 1m1p s HIS 79 N -1.34 3.32 -1.90 0.00 3.76 -0.52 -5.02 115.29 113.58 1m1p s HIS 79 Ca 0.00 0.30 0.22 0.00 -0.15 0.00 0.00 55.06 55.43 1m1p s HIS 79 Cb 0.00 -1.86 0.67 0.00 1.11 0.00 0.00 32.58 32.49 1m1p s HIS 79 CO 0.00 0.54 1.56 -0.25 -0.85 0.00 0.00 174.74 175.74 1m1p n ASP 80 N 2.18 4.08 -0.74 1.40 10.43 -1.26 -4.20 116.55 128.45 1m1p n ASP 80 Ca -0.19 -2.05 0.07 0.00 2.57 0.00 0.00 54.79 55.18 1m1p n ASP 80 Cb 0.54 -0.51 0.19 0.00 1.84 0.00 0.00 41.12 43.18 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 1.62 3.25 -0.58 -2.24 5.75 -1.26 -4.97 116.55 118.12 1m1p n ASP 81 Ca 0.25 -2.30 -0.08 0.00 -0.01 0.00 0.00 54.79 52.66 1m1p n ASP 81 Cb 0.66 -0.33 -0.03 0.00 -1.03 0.00 0.00 41.12 40.39 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 0.25 0.94 3.74 6.12 0.00 -1.26 -5.00 105.19 109.97 1m1p n GLY 82 Ca 0.15 -0.48 -0.33 0.00 0.00 0.00 0.00 46.02 45.36 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 -2.42 2.12 0.05 1.61 1.70 -1.26 -5.05 118.95 115.70 1m1p s ARG 83 Ca 0.00 1.49 -0.04 0.00 -0.47 0.00 0.00 55.73 56.70 1m1p s ARG 83 Cb 0.00 -1.86 -0.02 0.00 -0.57 0.00 0.00 34.95 32.50 1m1p s ARG 83 CO 0.00 -1.79 0.07 0.95 -1.08 0.00 0.00 175.30 173.45 1m1p s THR 84 N -2.42 0.15 0.25 4.99 -4.23 -1.26 -4.54 115.64 108.59 1m1p s THR 84 Ca 0.68 -1.25 -0.04 0.00 -1.18 0.00 0.00 61.69 59.89 1m1p s THR 84 Cb -0.23 -1.05 0.25 0.00 1.34 0.00 0.00 72.50 72.81 1m1p s THR 84 CO 0.49 -0.69 1.88 -1.28 -0.54 0.00 0.00 174.62 174.47 1m1p h SER 85 N 3.50 0.97 -0.66 3.99 0.87 -1.96 -2.50 113.55 117.76 1m1p h SER 85 Ca -0.33 0.01 0.10 0.00 -1.23 0.00 0.00 61.79 60.34 1m1p h SER 85 Cb 1.18 -0.20 -0.07 0.00 -0.44 0.00 0.00 62.40 62.86 1m1p h SER 85 CO 0.54 0.63 0.29 0.00 -0.53 0.00 0.00 176.83 177.76 1m1p h ALA 86 N 1.42 0.89 -0.16 6.23 0.00 -1.96 -0.62 119.26 125.06 1m1p h ALA 86 Ca 0.40 0.07 -0.04 0.00 0.00 0.00 0.00 54.91 55.35 1m1p h ALA 86 Cb 0.12 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1m1p h ALA 86 CO -0.16 -0.14 -0.04 1.03 0.00 0.00 0.00 179.25 179.94 1m1p h SER 87 N 0.49 0.32 0.91 0.00 0.87 -1.91 -3.28 113.55 110.95 1m1p h SER 87 Ca 0.34 -0.37 -0.14 0.00 -1.23 0.00 0.00 61.79 60.38 1m1p h SER 87 Cb 0.40 -0.09 -0.02 0.00 -0.44 0.00 0.00 62.40 62.25 1m1p h SER 87 CO -0.30 0.61 -0.69 0.58 -0.53 0.00 0.00 176.83 176.50 1m1p h VAL 88 N 0.02 1.36 -0.02 2.23 2.07 -1.15 -3.50 116.25 117.25 1m1p h VAL 88 Ca 0.04 -2.47 0.00 0.00 0.82 0.00 0.00 66.70 65.09 1m1p h VAL 88 Cb 0.47 2.38 0.00 0.00 -1.52 0.00 0.00 31.29 32.62 1m1p h VAL 88 CO 0.02 0.67 0.00 0.18 0.02 0.00 0.00 177.57 178.46