#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3m0w h PRO 4 N 8.06 0.34 -0.67 0.00 0.11 -2.05 -1.16 132.00 136.64 3m0w h PRO 4 Ca -0.13 -0.02 -0.07 0.00 0.11 0.00 0.00 66.00 65.89 3m0w h PRO 4 Cb 1.01 -0.08 -0.03 0.00 0.11 0.00 0.00 31.00 32.02 3m0w h PRO 4 CO 0.47 0.23 0.14 1.25 -0.21 0.00 0.00 178.00 179.88 3m0w h LEU 5 N 0.36 1.03 -0.54 2.35 5.85 -1.98 0.19 115.31 122.55 3m0w h LEU 5 Ca 0.38 -0.22 -0.16 0.00 0.84 0.00 0.00 57.88 58.72 3m0w h LEU 5 Cb 0.59 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.35 3m0w h LEU 5 CO -0.42 1.00 -0.53 -0.33 -0.34 0.00 0.00 178.44 177.81 3m0w h GLU 6 N 1.02 0.55 -0.11 1.25 5.08 -1.86 -1.75 114.58 118.75 3m0w h GLU 6 Ca 0.21 -0.34 -0.06 0.00 -1.00 0.00 0.00 59.36 58.18 3m0w h GLU 6 Cb 0.39 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.66 3m0w h GLU 6 CO 0.01 0.94 -0.18 -0.22 -1.00 0.00 0.00 179.01 178.55 3m0w h LYS 7 N 0.42 0.18 -0.36 2.33 3.64 -0.41 -1.83 116.57 120.54 3m0w h LYS 7 Ca 0.01 -0.05 -0.17 0.00 -1.27 0.00 0.00 60.65 59.18 3m0w h LYS 7 Cb 1.07 -0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 32.86 3m0w h LYS 7 CO 0.10 0.37 -0.42 0.00 -2.27 0.00 0.00 179.45 177.23 3m0w h ALA 8 N 1.64 0.54 -0.53 5.00 0.00 -0.09 -0.61 119.26 125.22 3m0w h ALA 8 Ca 0.03 -0.47 -0.07 0.00 0.00 0.00 0.00 54.91 54.41 3m0w h ALA 8 Cb 0.43 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 3m0w h ALA 8 CO 0.03 0.67 0.05 -0.07 0.00 0.00 0.00 179.25 179.92 3m0w h LEU 9 N 0.74 0.81 -0.39 0.00 3.38 -1.06 -1.69 115.31 117.10 3m0w h LEU 9 Ca 0.05 -0.18 -0.00 0.00 0.09 0.00 0.00 57.88 57.83 3m0w h LEU 9 Cb 1.02 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.53 3m0w h LEU 9 CO 0.10 0.85 0.23 -0.78 0.09 0.00 0.00 178.44 178.93 3m0w h ASP 10 N 0.80 0.48 -0.63 -0.43 3.58 -0.88 -1.81 116.42 117.53 3m0w h ASP 10 Ca 0.16 -0.07 -0.06 0.00 0.42 0.00 0.00 57.03 57.48 3m0w h ASP 10 Cb 0.41 -0.12 -0.03 0.00 1.72 0.00 0.00 39.33 41.32 3m0w h ASP 10 CO 0.01 0.41 0.15 0.58 -2.88 0.00 0.00 179.24 177.52 3m0w h VAL 11 N 0.51 1.25 -0.80 2.25 2.07 -0.94 0.03 116.25 120.63 3m0w h VAL 11 Ca 0.14 -0.92 0.03 0.00 0.82 0.00 0.00 66.70 66.77 3m0w h VAL 11 Cb 0.03 0.65 -0.05 0.00 -1.52 0.00 0.00 31.29 30.40 3m0w h VAL 11 CO -0.02 0.35 0.51 0.24 0.02 0.00 0.00 177.57 178.67 3m0w h MET 12 N 0.92 0.97 0.12 1.57 2.86 -0.95 -0.83 114.93 119.59 3m0w h MET 12 Ca 0.20 -0.06 -0.28 0.00 -2.06 0.00 0.00 59.70 57.50 3m0w h MET 12 Cb 0.36 -0.22 0.00 0.00 0.06 0.00 0.00 31.60 31.80 3m0w h MET 12 CO 0.00 0.64 -1.32 0.28 1.06 0.00 0.00 176.91 177.57 3m0w h VAL 13 N 1.00 1.41 -0.03 -2.22 2.07 -1.08 -3.26 116.25 114.13 3m0w h VAL 13 Ca 0.32 -3.00 -0.08 0.00 0.82 0.00 0.00 66.70 64.76 3m0w h VAL 13 Cb 0.01 2.89 0.00 0.00 -1.52 0.00 0.00 31.29 32.68 3m0w h VAL 13 CO -0.11 0.87 -0.30 0.28 0.02 0.00 0.00 177.57 178.33 3m0w h SER 14 N 0.07 0.32 -0.75 0.57 0.02 -0.84 -3.16 113.55 109.78 3m0w h SER 14 Ca -0.16 -0.70 0.17 0.00 -0.84 0.00 0.00 61.79 60.25 3m0w h SER 14 Cb 1.98 -0.10 -0.11 0.00 0.14 0.00 0.00 62.40 64.31 3m0w h SER 14 CO 0.19 0.98 0.19 0.74 -1.14 0.00 0.00 176.83 177.78 3m0w h THR 15 N -0.31 0.50 -0.47 -2.27 2.02 -1.27 0.62 112.91 111.73 3m0w h THR 15 Ca -0.03 -0.09 0.09 0.00 0.77 0.00 0.00 66.41 67.15 3m0w h THR 15 Cb 0.99 0.20 -0.08 0.00 -1.74 0.00 0.00 68.15 67.53 3m0w h THR 15 CO 0.06 0.05 -0.00 0.15 0.37 0.00 0.00 175.52 176.15 3m0w h PHE 16 N 0.27 -0.03 0.00 3.16 3.57 -1.59 -2.19 116.94 120.13 3m0w h PHE 16 Ca 0.43 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.96 3m0w h PHE 16 Cb 0.75 0.09 0.00 0.00 2.79 0.00 0.00 35.95 39.57 3m0w h PHE 16 CO -0.26 -0.10 0.00 0.45 -2.23 0.00 0.00 178.31 176.16 3m0w h HIS 17 N 0.11 0.00 0.00 0.41 3.86 -0.96 -0.43 115.15 118.14 3m0w h HIS 17 Ca 0.24 0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 59.42 3m0w h HIS 17 Cb 0.35 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.82 3m0w h HIS 17 CO -0.30 0.00 -0.11 -0.22 0.86 0.00 0.00 177.93 178.16 3m0w h LYS 18 N 0.00 0.00 0.00 2.45 3.64 -0.39 -3.17 116.57 119.10 3m0w h LYS 18 Ca 0.00 0.00 -0.17 0.00 -1.27 0.00 0.00 60.65 59.21 3m0w h LYS 18 Cb 0.90 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.69 3m0w h LYS 18 CO 0.00 0.11 -1.62 0.66 -2.27 0.00 0.00 179.45 176.32 3m0w n TYR 19 N -3.43 0.00 0.03 1.91 4.01 -0.98 -4.66 117.16 114.03 3m0w n TYR 19 Ca -0.01 0.00 -0.03 0.00 -0.16 0.00 0.00 57.90 57.70 3m0w n TYR 19 Cb 0.27 -0.45 0.21 0.00 -0.31 0.00 0.00 39.34 39.07 3m0w n TYR 19 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 3m0w h SER 20 N 0.00 0.45 -0.16 7.72 4.64 -1.15 -3.02 113.55 122.03 3m0w h SER 20 Ca -0.25 -0.15 0.00 0.00 -0.47 0.00 0.00 61.79 60.92 3m0w h SER 20 Cb 1.54 -0.12 0.00 0.00 -0.31 0.00 0.00 62.40 63.51 3m0w h SER 20 CO 0.01 0.71 0.00 0.61 -0.87 0.00 0.00 176.83 177.29 3m0w n GLY 21 N -0.38 -0.12 0.10 -0.77 0.00 -1.04 -4.10 105.19 98.89 3m0w n GLY 21 Ca -0.00 -0.18 -0.14 0.00 0.00 0.00 0.00 46.02 45.69 3m0w n GLY 21 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3m0w h LYS 22 N 0.95 0.19 -4.13 1.61 1.57 -1.81 -3.47 116.57 111.48 3m0w h LYS 22 Ca 0.00 -0.15 -0.11 0.00 -1.87 0.00 0.00 60.65 58.51 3m0w h LYS 22 Cb 0.25 0.03 -0.15 0.00 0.08 0.00 0.00 32.23 32.45 3m0w h LYS 22 CO 0.01 0.80 -0.59 -1.83 -0.57 0.00 0.00 179.45 177.27 3m0w s GLU 23 N -3.61 0.70 5.95 3.15 -1.05 -1.26 -5.11 118.70 117.46 3m0w s GLU 23 Ca -0.15 -1.17 0.00 0.00 -0.15 0.00 0.00 54.97 53.50 3m0w s GLU 23 Cb 0.02 0.25 0.00 0.00 -0.44 0.00 0.00 34.13 33.96 3m0w s GLU 23 CO 0.73 -0.17 0.00 0.41 0.95 0.00 0.00 175.26 177.19 3m0w n GLY 24 N 0.05 2.98 3.68 -3.83 0.00 -1.26 -4.44 105.19 102.37 3m0w n GLY 24 Ca -0.14 -0.36 -0.44 0.00 0.00 0.00 0.00 46.02 45.08 3m0w n GLY 24 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3m0w n ASP 25 N 0.92 3.81 0.24 1.61 -0.08 -1.26 -4.86 116.55 116.94 3m0w n ASP 25 Ca 0.00 0.97 0.12 0.00 -1.51 0.00 0.00 54.79 54.38 3m0w n ASP 25 Cb 0.00 -1.48 0.55 0.00 2.34 0.00 0.00 41.12 42.53 3m0w n ASP 25 CO 0.00 0.00 0.00 0.11 0.12 0.00 0.00 177.20 177.43 3m0w h LYS 26 N 8.92 0.00 -0.39 -0.67 6.56 -1.78 -3.09 116.57 126.12 3m0w h LYS 26 Ca -0.48 0.00 -0.03 0.00 -1.06 0.00 0.00 60.65 59.08 3m0w h LYS 26 Cb 1.24 0.00 -0.02 0.00 -0.57 0.00 0.00 32.23 32.88 3m0w h LYS 26 CO 0.94 0.15 0.02 1.19 -2.06 0.00 0.00 179.45 179.69 3m0w n PHE 27 N -3.32 1.37 -3.91 -1.35 3.72 -1.26 -2.49 117.46 110.22 3m0w n PHE 27 Ca 0.00 -0.92 -0.10 0.00 -0.05 0.00 0.00 57.45 56.38 3m0w n PHE 27 Cb 0.37 -0.41 -0.10 0.00 -0.94 0.00 0.00 39.48 38.41 3m0w n PHE 27 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 176.76 176.86 3m0w s LYS 28 N -2.87 0.49 -0.29 -1.08 1.02 -1.17 -4.36 119.74 111.49 3m0w s LYS 28 Ca 0.47 -0.58 -0.14 0.00 0.02 0.00 0.00 55.97 55.74 3m0w s LYS 28 Cb 0.37 0.20 -0.03 0.00 -0.52 0.00 0.00 37.83 37.85 3m0w s LYS 28 CO 0.10 -0.12 0.31 -0.51 -0.92 0.00 0.00 175.35 174.22 3m0w s LEU 29 N -1.69 4.15 0.76 3.17 1.43 0.86 -4.62 118.68 122.74 3m0w s LEU 29 Ca -0.11 0.04 -0.08 0.00 -1.03 0.00 0.00 54.13 52.94 3m0w s LEU 29 Cb -0.05 -2.30 0.09 0.00 0.03 0.00 0.00 46.19 43.96 3m0w s LEU 29 CO -0.01 -0.18 1.09 0.54 0.23 0.00 0.00 176.35 178.01 3m0w s ASN 30 N 1.70 4.44 0.25 2.29 2.20 -1.26 -0.77 114.94 123.78 3m0w s ASN 30 Ca 0.11 0.39 -0.05 0.00 -0.94 0.00 0.00 52.86 52.37 3m0w s ASN 30 Cb -0.16 -0.89 0.47 0.00 -2.00 0.00 0.00 41.25 38.67 3m0w s ASN 30 CO 0.11 -1.86 1.67 0.07 -2.94 0.00 0.00 177.10 174.15 3m0w h LYS 31 N -0.83 0.22 -0.31 3.55 5.09 -1.99 0.76 116.57 123.06 3m0w h LYS 31 Ca -0.44 -0.01 -0.04 0.00 0.09 0.00 0.00 60.65 60.25 3m0w h LYS 31 Cb 1.30 -0.05 -0.01 0.00 0.10 0.00 0.00 32.23 33.57 3m0w h LYS 31 CO 0.55 0.14 0.03 1.03 -2.09 0.00 0.00 179.45 179.12 3m0w h SER 32 N 0.22 0.51 -0.68 7.07 0.87 -1.99 -1.41 113.55 118.15 3m0w h SER 32 Ca 0.42 -0.28 -0.07 0.00 -1.23 0.00 0.00 61.79 60.63 3m0w h SER 32 Cb 0.74 -0.14 -0.03 0.00 -0.44 0.00 0.00 62.40 62.53 3m0w h SER 32 CO -0.55 0.66 0.17 -0.33 -0.53 0.00 0.00 176.83 176.25 3m0w h GLU 33 N 0.33 1.09 -0.49 2.24 5.08 -1.62 -2.16 114.58 119.06 3m0w h GLU 33 Ca 0.09 -0.26 -0.07 0.00 -1.00 0.00 0.00 59.36 58.12 3m0w h GLU 33 Cb 0.39 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.47 3m0w h GLU 33 CO 0.01 0.97 0.02 1.25 -1.00 0.00 0.00 179.01 180.26 3m0w h LEU 34 N 1.02 0.77 -0.57 1.33 5.85 -0.70 -1.24 115.31 121.78 3m0w h LEU 34 Ca 0.21 -0.18 -0.01 0.00 0.84 0.00 0.00 57.88 58.75 3m0w h LEU 34 Cb 0.36 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.16 3m0w h LEU 34 CO 0.00 0.82 0.33 0.50 -0.34 0.00 0.00 178.44 179.76 3m0w h LYS 35 N 0.75 0.77 0.12 1.25 1.63 -0.93 -1.44 116.57 118.72 3m0w h LYS 35 Ca 0.15 -0.08 -0.01 0.00 -0.85 0.00 0.00 60.65 59.87 3m0w h LYS 35 Cb 0.43 -0.16 0.00 0.00 -0.60 0.00 0.00 32.23 31.90 3m0w h LYS 35 CO 0.02 0.57 -0.06 0.93 -3.45 0.00 0.00 179.45 177.46 3m0w h GLU 36 N 0.76 -0.15 -0.32 1.90 5.08 -0.83 -0.91 114.58 120.10 3m0w h GLU 36 Ca 0.20 0.01 0.05 0.00 -1.00 0.00 0.00 59.36 58.62 3m0w h GLU 36 Cb -0.00 0.03 -0.05 0.00 0.50 0.00 0.00 28.75 29.24 3m0w h GLU 36 CO -0.04 -0.01 0.04 1.25 -1.00 0.00 0.00 179.01 179.25 3m0w h LEU 37 N -0.27 -0.05 -0.20 1.33 6.46 -1.13 0.74 115.31 122.20 3m0w h LEU 37 Ca -0.02 0.06 -0.02 0.00 -0.12 0.00 0.00 57.88 57.79 3m0w h LEU 37 Cb 0.22 0.10 -0.01 0.00 -0.73 0.00 0.00 40.66 40.23 3m0w h LEU 37 CO 0.03 0.01 0.06 -0.07 -0.62 0.00 0.00 178.44 177.84 3m0w h LEU 38 N 0.14 0.29 -0.26 2.25 3.38 -1.17 0.26 115.31 120.20 3m0w h LEU 38 Ca 0.15 -0.22 0.01 0.00 0.09 0.00 0.00 57.88 57.92 3m0w h LEU 38 Cb 0.19 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 3m0w h LEU 38 CO -0.23 0.43 0.15 0.74 0.09 0.00 0.00 178.44 179.63 3m0w h THR 39 N 0.14 1.02 0.00 0.22 2.02 -0.77 -0.47 112.91 115.08 3m0w h THR 39 Ca 0.06 -0.11 -0.14 0.00 0.77 0.00 0.00 66.41 67.00 3m0w h THR 39 Cb 0.25 0.69 -0.02 0.00 -1.74 0.00 0.00 68.15 67.32 3m0w h THR 39 CO -0.00 0.06 -1.30 0.03 0.37 0.00 0.00 175.52 174.67 3m0w h ARG 40 N 0.31 0.00 0.00 6.66 3.08 -0.79 -3.36 114.38 120.28 3m0w h ARG 40 Ca 0.10 0.00 -0.13 0.00 0.07 0.00 0.00 59.98 60.02 3m0w h ARG 40 Cb 0.00 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.03 3m0w h ARG 40 CO -0.05 0.25 -1.59 0.39 -1.07 0.00 0.00 179.97 177.89 3m0w n GLU 41 N -2.87 2.05 -2.79 0.04 -0.58 0.92 -4.74 120.64 112.66 3m0w n GLU 41 Ca -0.08 -0.02 -0.20 0.00 -0.42 0.00 0.00 57.16 56.44 3m0w n GLU 41 Cb 0.79 -1.24 -0.01 0.00 -0.57 0.00 0.00 31.44 30.41 3m0w n GLU 41 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 3m0w n LEU 42 N -2.24 2.90 0.24 -4.62 4.77 -0.19 -4.91 117.00 112.95 3m0w n LEU 42 Ca -0.12 -4.86 0.07 0.00 -0.03 0.00 0.00 56.01 51.06 3m0w n LEU 42 Cb 0.69 0.03 0.58 0.00 -2.33 0.00 0.00 43.42 42.38 3m0w n LEU 42 CO 0.20 2.09 0.99 1.55 -1.33 0.00 0.00 177.39 180.89 3m0w h PRO 43 N 2.88 0.00 0.00 3.23 0.13 -1.68 -1.49 132.00 135.07 3m0w h PRO 43 Ca 0.11 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 65.19 3m0w h PRO 43 Cb 0.91 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.03 3m0w h PRO 43 CO 0.67 0.08 -0.23 0.77 -0.23 0.00 0.00 178.00 179.07 3m0w h SER 44 N 0.00 0.00 0.03 1.44 0.02 -1.91 -3.13 113.55 110.00 3m0w h SER 44 Ca -0.00 0.00 -0.15 0.00 -0.84 0.00 0.00 61.79 60.79 3m0w h SER 44 Cb 0.15 0.00 0.01 0.00 0.14 0.00 0.00 62.40 62.70 3m0w h SER 44 CO 0.01 0.23 -0.62 0.15 -1.14 0.00 0.00 176.83 175.45 3m0w h PHE 45 N 0.00 0.57 -0.76 3.45 3.57 -1.63 -3.43 116.94 118.71 3m0w h PHE 45 Ca -0.00 -0.33 -0.47 0.00 3.53 0.00 0.00 57.97 60.69 3m0w h PHE 45 Cb 0.67 -0.06 -0.06 0.00 2.79 0.00 0.00 35.95 39.29 3m0w h PHE 45 CO 0.00 1.17 1.40 -0.51 -2.23 0.00 0.00 178.31 178.14 3m0w s LEU 46 N -8.25 3.38 0.00 0.59 1.43 -1.18 -5.19 118.68 109.46 3m0w s LEU 46 Ca -0.13 -1.63 0.00 0.00 -1.03 0.00 0.00 54.13 51.34 3m0w s LEU 46 Cb 0.03 -2.58 0.00 0.00 0.03 0.00 0.00 46.19 43.67 3m0w s LEU 46 CO 0.82 -2.17 0.00 0.61 0.23 0.00 0.00 176.35 175.83 3m0w n GLY 47 N 6.13 0.00 0.21 -3.19 0.00 -1.26 -5.05 105.19 102.03 3m0w n GLY 47 Ca 0.43 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.34 3m0w n GLY 47 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3m0w h GLU 52 N 0.00 0.60 -0.34 1.61 4.39 -2.05 -3.53 114.58 115.25 3m0w h GLU 52 Ca 0.00 -0.41 -0.07 0.00 0.34 0.00 0.00 59.36 59.22 3m0w h GLU 52 Cb 0.00 0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 28.70 3m0w h GLU 52 CO 0.00 1.02 -0.07 0.00 -1.16 0.00 0.00 179.01 178.80 3m0w h ALA 53 N 0.89 0.47 -0.11 3.43 0.00 -2.05 -0.67 119.26 121.21 3m0w h ALA 53 Ca -0.00 -0.29 -0.05 0.00 0.00 0.00 0.00 54.91 54.56 3m0w h ALA 53 Cb 1.17 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.82 3m0w h ALA 53 CO 0.12 0.31 -0.17 0.00 0.00 0.00 0.00 179.25 179.50 3m0w h ALA 54 N 0.82 1.50 -0.51 0.00 0.00 -2.03 -0.74 119.26 118.30 3m0w h ALA 54 Ca 0.09 -0.22 -0.09 0.00 0.00 0.00 0.00 54.91 54.68 3m0w h ALA 54 Cb 0.57 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 3m0w h ALA 54 CO 0.03 0.36 -0.05 0.74 0.00 0.00 0.00 179.25 180.33 3m0w h PHE 55 N 0.17 1.03 -0.60 0.00 -1.00 -1.92 -2.25 116.94 112.38 3m0w h PHE 55 Ca 0.03 -0.20 -0.10 0.00 2.81 0.00 0.00 57.97 60.52 3m0w h PHE 55 Cb 0.41 -0.26 -0.02 0.00 3.61 0.00 0.00 35.95 39.69 3m0w h PHE 55 CO 0.00 0.97 -0.02 0.37 -1.61 0.00 0.00 178.31 178.02 3m0w h GLN 56 N 0.80 1.07 -0.19 1.51 5.75 -0.46 0.13 115.11 123.72 3m0w h GLN 56 Ca 0.14 -0.35 -0.05 0.00 -0.15 0.00 0.00 58.65 58.24 3m0w h GLN 56 Cb 0.59 -0.09 -0.01 0.00 1.07 0.00 0.00 27.48 29.03 3m0w h GLN 56 CO 0.04 1.06 -0.10 0.87 -2.65 0.00 0.00 178.83 178.04 3m0w h LYS 57 N 0.97 0.30 -0.00 1.69 6.56 -1.10 0.27 116.57 125.25 3m0w h LYS 57 Ca 0.17 -0.07 -0.04 0.00 -1.06 0.00 0.00 60.65 59.65 3m0w h LYS 57 Cb 0.58 -0.04 0.00 0.00 -0.57 0.00 0.00 32.23 32.21 3m0w h LYS 57 CO 0.03 0.41 -0.15 1.25 -2.06 0.00 0.00 179.45 178.94 3m0w h LEU 58 N 0.28 0.14 -1.09 2.94 7.12 -0.90 -2.29 115.31 121.51 3m0w h LEU 58 Ca 0.06 -0.76 0.13 0.00 0.13 0.00 0.00 57.88 57.44 3m0w h LEU 58 Cb 0.36 -0.04 -0.08 0.00 -0.53 0.00 0.00 40.66 40.37 3m0w h LEU 58 CO 0.02 0.88 0.61 -0.03 -0.13 0.00 0.00 178.44 179.79 3m0w h MET 59 N -0.59 0.88 -0.32 1.25 4.05 -0.59 -0.88 114.93 118.73 3m0w h MET 59 Ca -0.02 -0.05 -0.12 0.00 -0.28 0.00 0.00 59.70 59.23 3m0w h MET 59 Cb 0.90 -0.20 -0.01 0.00 -0.80 0.00 0.00 31.60 31.50 3m0w h MET 59 CO 0.03 0.58 -0.26 1.03 0.23 0.00 0.00 176.91 178.52 3m0w h SER 60 N 0.90 0.78 -0.33 1.39 0.87 -0.98 -2.21 113.55 113.98 3m0w h SER 60 Ca 0.48 -0.45 -0.01 0.00 -1.23 0.00 0.00 61.79 60.58 3m0w h SER 60 Cb 0.56 -0.22 -0.02 0.00 -0.44 0.00 0.00 62.40 62.29 3m0w h SER 60 CO -0.25 1.07 0.16 0.78 -0.53 0.00 0.00 176.83 178.06 3m0w h ASN 61 N 0.50 0.43 -0.22 6.23 2.35 -0.79 -3.21 115.58 120.87 3m0w h ASN 61 Ca 0.06 -0.12 -0.16 0.00 -0.55 0.00 0.00 56.30 55.52 3m0w h ASN 61 Cb 0.83 -0.11 -0.01 0.00 0.05 0.00 0.00 38.32 39.08 3m0w h ASN 61 CO 0.07 0.43 -0.46 -0.07 -1.65 0.00 0.00 177.43 175.76 3m0w h LEU 62 N 0.40 0.85 -6.64 1.61 3.38 -1.18 -3.36 115.31 110.37 3m0w h LEU 62 Ca 0.11 -0.42 -0.67 0.00 0.09 0.00 0.00 57.88 57.00 3m0w h LEU 62 Cb 0.12 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.59 3m0w h LEU 62 CO -0.01 1.18 2.66 -0.67 0.09 0.00 0.00 178.44 181.68 3m0w n ASP 63 N -4.02 3.88 0.18 -0.43 2.03 -0.83 -4.72 116.55 112.62 3m0w n ASP 63 Ca -0.03 -2.83 0.02 0.00 0.52 0.00 0.00 54.79 52.48 3m0w n ASP 63 Cb 0.57 -1.60 0.32 0.00 -0.72 0.00 0.00 41.12 39.69 3m0w n ASP 63 CO 0.00 0.00 0.00 0.77 -1.92 0.00 0.00 177.20 176.05 3m0w h SER 64 N 6.89 0.00 -0.01 1.67 4.64 -1.80 -1.99 113.55 122.96 3m0w h SER 64 Ca 0.50 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.82 3m0w h SER 64 Cb 0.72 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.81 3m0w h SER 64 CO 1.76 0.43 -0.00 -0.46 -0.87 0.00 0.00 176.83 177.68 3m0w n ASN 65 N -3.93 1.12 -2.90 4.97 6.94 -1.26 -4.96 115.26 115.24 3m0w n ASN 65 Ca -0.02 -1.36 -0.22 0.00 -0.02 0.00 0.00 54.58 52.97 3m0w n ASN 65 Cb 0.46 0.00 0.04 0.00 -2.36 0.00 0.00 39.78 37.92 3m0w n ASN 65 CO 0.00 0.00 0.00 -1.14 -1.03 0.00 0.00 177.26 175.09 3m0w n ARG 66 N -0.13 -4.75 -0.80 -3.83 3.00 -0.75 -4.89 116.66 104.53 3m0w n ARG 66 Ca 0.20 0.88 0.07 0.00 -0.00 0.00 0.00 57.85 59.00 3m0w n ARG 66 Cb 0.30 -5.67 0.37 0.00 0.00 0.00 0.00 32.46 27.46 3m0w n ARG 66 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.63 177.23 3m0w n ASP 67 N -2.35 5.27 -0.20 6.15 5.75 -1.26 -4.93 116.55 124.98 3m0w n ASP 67 Ca -0.11 -2.79 -0.03 0.00 -0.01 0.00 0.00 54.79 51.86 3m0w n ASP 67 Cb 0.62 -0.66 -0.01 0.00 -1.03 0.00 0.00 41.12 40.04 3m0w n ASP 67 CO 0.00 0.00 0.00 -3.20 -0.11 0.00 0.00 177.20 173.89 3m0w n ASN 68 N 0.67 -4.73 -4.10 -1.12 2.85 -1.26 -4.98 115.26 102.60 3m0w n ASN 68 Ca 0.26 0.07 -0.10 0.00 -0.11 0.00 0.00 54.58 54.70 3m0w n ASN 68 Cb 1.09 -2.47 -0.09 0.00 1.24 0.00 0.00 39.78 39.55 3m0w n ASN 68 CO 0.00 0.00 0.00 -1.61 -2.11 0.00 0.00 177.26 173.54 3m0w s GLU 69 N -1.59 1.01 -0.30 1.20 2.02 -1.26 -4.54 118.70 115.24 3m0w s GLU 69 Ca 0.00 -1.37 -0.06 0.00 0.02 0.00 0.00 54.97 53.56 3m0w s GLU 69 Cb 0.00 0.28 0.01 0.00 0.10 0.00 0.00 34.13 34.53 3m0w s GLU 69 CO 0.00 -0.31 0.07 0.08 0.02 0.00 0.00 175.26 175.12 3m0w s VAL 70 N -4.03 3.87 0.70 2.63 1.01 0.05 -4.70 120.40 119.93 3m0w s VAL 70 Ca 0.23 -0.76 -0.02 0.00 0.00 0.00 0.00 61.98 61.43 3m0w s VAL 70 Cb 0.06 -3.01 0.10 0.00 0.00 0.00 0.00 36.38 33.53 3m0w s VAL 70 CO 0.02 0.06 0.97 1.51 0.00 0.00 0.00 175.10 177.66 3m0w s ASP 71 N 1.48 4.53 0.30 3.32 1.47 -1.26 -0.10 116.67 126.41 3m0w s ASP 71 Ca 0.02 -0.14 -0.01 0.00 1.18 0.00 0.00 52.55 53.60 3m0w s ASP 71 Cb -0.17 -0.36 0.45 0.00 -0.34 0.00 0.00 42.92 42.49 3m0w s ASP 71 CO 0.02 -1.72 1.89 0.15 0.68 0.00 0.00 175.17 176.19 3m0w h PHE 72 N -0.47 0.89 -0.50 2.11 3.57 -1.99 0.67 116.94 121.21 3m0w h PHE 72 Ca -0.39 -0.04 -0.09 0.00 3.53 0.00 0.00 57.97 60.98 3m0w h PHE 72 Cb 1.28 -0.28 -0.02 0.00 2.79 0.00 0.00 35.95 39.72 3m0w h PHE 72 CO -0.06 0.66 -0.05 0.37 -2.23 0.00 0.00 178.31 177.00 3m0w h GLN 73 N 0.89 0.87 -0.00 1.11 4.15 -1.96 0.11 115.11 120.27 3m0w h GLN 73 Ca 0.22 -0.27 -0.13 0.00 0.77 0.00 0.00 58.65 59.24 3m0w h GLN 73 Cb 0.12 -0.08 -0.02 0.00 0.21 0.00 0.00 27.48 27.71 3m0w h GLN 73 CO -0.03 0.90 -0.62 0.93 -1.93 0.00 0.00 178.83 178.08 3m0w h GLU 74 N 0.79 0.00 -0.41 1.69 5.08 -1.68 -2.63 114.58 117.42 3m0w h GLU 74 Ca 0.14 -0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.44 3m0w h GLU 74 Cb 0.55 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.78 3m0w h GLU 74 CO 0.03 0.62 0.01 -0.92 -1.00 0.00 0.00 179.01 177.75 3m0w h TYR 75 N 0.00 0.78 -0.72 4.33 3.20 0.04 -2.23 116.97 122.37 3m0w h TYR 75 Ca -0.01 -0.13 0.02 0.00 3.14 0.00 0.00 58.73 61.75 3m0w h TYR 75 Cb 1.09 -0.21 -0.04 0.00 1.54 0.00 0.00 36.73 39.12 3m0w h TYR 75 CO 0.00 0.78 0.47 0.00 -1.64 0.00 0.00 178.16 177.77 3m0w h VAL 77 N 0.93 1.07 -0.39 0.00 2.07 -1.37 0.15 116.25 118.72 3m0w h VAL 77 Ca 0.28 -0.15 0.05 0.00 0.82 0.00 0.00 66.70 67.70 3m0w h VAL 77 Cb -0.05 0.70 -0.04 0.00 -1.52 0.00 0.00 31.29 30.37 3m0w h VAL 77 CO -0.08 0.07 0.14 0.15 0.02 0.00 0.00 177.57 177.87 3m0w h PHE 78 N 0.36 0.25 -0.61 1.57 3.57 -1.04 0.06 116.94 121.09 3m0w h PHE 78 Ca 0.10 0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.55 3m0w h PHE 78 Cb -0.03 -0.05 -0.02 0.00 2.79 0.00 0.00 35.95 38.63 3m0w h PHE 78 CO -0.06 0.10 0.12 -0.07 -2.23 0.00 0.00 178.31 176.17 3m0w h LEU 79 N 0.30 0.96 -1.28 0.59 3.38 -0.70 -1.98 115.31 116.58 3m0w h LEU 79 Ca 0.18 -0.25 0.07 0.00 0.09 0.00 0.00 57.88 57.97 3m0w h LEU 79 Cb 0.16 -0.25 -0.05 0.00 0.09 0.00 0.00 40.66 40.61 3m0w h LEU 79 CO -0.18 0.96 0.53 0.28 0.09 0.00 0.00 178.44 180.12 3m0w h SER 80 N 0.91 0.76 -0.27 -0.43 0.02 -0.32 0.02 113.55 114.23 3m0w h SER 80 Ca 0.19 0.01 -0.02 0.00 -0.84 0.00 0.00 61.79 61.12 3m0w h SER 80 Cb 0.40 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 62.77 3m0w h SER 80 CO 0.01 0.48 0.09 0.00 -1.14 0.00 0.00 176.83 176.27 3m0w h ILE 82 N 0.28 1.18 -0.59 0.00 2.04 -0.67 -2.32 117.51 117.43 3m0w h ILE 82 Ca 0.09 -0.41 0.07 0.00 1.00 0.00 0.00 64.86 65.61 3m0w h ILE 82 Cb 0.24 0.35 -0.06 0.00 -0.74 0.00 0.00 36.82 36.60 3m0w h ILE 82 CO -0.00 0.19 0.27 0.00 0.00 0.00 0.00 178.15 178.60 3m0w h ALA 83 N 1.18 0.78 -0.92 1.87 0.00 -0.63 -0.45 119.26 121.09 3m0w h ALA 83 Ca 0.22 0.05 0.14 0.00 0.00 0.00 0.00 54.91 55.32 3m0w h ALA 83 Cb -0.02 -0.02 -0.08 0.00 0.00 0.00 0.00 17.79 17.68 3m0w h ALA 83 CO -0.04 -0.12 0.59 0.52 0.00 0.00 0.00 179.25 180.20 3m0w h MET 84 N 0.49 0.73 -0.00 0.00 2.86 -0.32 0.39 114.93 119.07 3m0w h MET 84 Ca 0.28 -0.04 -0.00 0.00 -2.06 0.00 0.00 59.70 57.88 3m0w h MET 84 Cb 0.28 -0.16 -0.00 0.00 0.06 0.00 0.00 31.60 31.77 3m0w h MET 84 CO -0.24 0.48 -0.00 1.98 1.06 0.00 0.00 176.91 180.19 3m0w h MET 85 N 0.75 0.01 -0.94 1.72 -1.53 -0.67 -2.81 114.93 111.45 3m0w h MET 85 Ca 0.47 -0.00 0.04 0.00 -3.44 0.00 0.00 59.70 56.76 3m0w h MET 85 Cb 0.70 0.00 -0.05 0.00 -0.55 0.00 0.00 31.60 31.69 3m0w h MET 85 CO -0.23 0.47 0.62 0.00 0.14 0.00 0.00 176.91 177.91 3m0w h ASN 87 N 1.17 0.39 -0.58 0.00 -1.24 -0.78 -1.61 115.58 112.94 3m0w h ASN 87 Ca 0.37 -0.02 0.10 0.00 0.71 0.00 0.00 56.30 57.46 3m0w h ASN 87 Cb 0.02 -0.10 -0.03 0.00 0.73 0.00 0.00 38.32 38.94 3m0w h ASN 87 CO -0.12 0.32 0.39 -0.33 -1.29 0.00 0.00 177.43 176.41 3m0w h GLU 88 N 0.45 0.36 -0.41 6.67 4.39 -1.18 -1.52 114.58 123.35 3m0w h GLU 88 Ca 0.12 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.80 3m0w h GLU 88 Cb 0.01 -0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 28.56 3m0w h GLU 88 CO -0.02 0.24 0.26 0.35 -1.16 0.00 0.00 179.01 178.68 3m0w h PHE 89 N 0.38 0.53 0.00 4.33 3.57 -1.40 -2.27 116.94 122.08 3m0w h PHE 89 Ca 0.27 0.01 -0.08 0.00 3.53 0.00 0.00 57.97 61.69 3m0w h PHE 89 Cb 0.56 -0.18 -0.01 0.00 2.79 0.00 0.00 35.95 39.12 3m0w h PHE 89 CO -0.00 0.35 -0.40 0.74 -2.23 0.00 0.00 178.31 176.78 3m0w h PHE 90 N 0.55 0.00 -0.02 0.41 -1.00 -1.40 -3.53 116.94 111.95 3m0w h PHE 90 Ca 0.15 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.93 3m0w h PHE 90 Cb -0.04 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.52 3m0w h PHE 90 CO -0.04 0.40 0.00 0.39 -1.61 0.00 0.00 178.31 177.45