#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 8.24 0.12 -0.63 0.00 0.11 -2.05 -0.25 132.00 137.53 3m0w h PRO 4 Ca -0.13 -0.01 -0.08 0.00 0.11 0.00 0.00 66.00 65.89 3m0w h PRO 4 Cb 1.10 -0.03 -0.03 0.00 0.11 0.00 0.00 31.00 32.16 3m0w h PRO 4 CO 0.31 0.08 0.08 1.25 -0.21 0.00 0.00 178.00 179.51 3m0w h LEU 5 N 0.12 1.01 -0.88 2.35 5.85 -1.98 0.15 115.31 121.92 3m0w h LEU 5 Ca 0.39 -0.24 -0.11 0.00 0.84 0.00 0.00 57.88 58.76 3m0w h LEU 5 Cb 0.67 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.42 3m0w h LEU 5 CO -0.62 1.02 -0.32 -0.33 -0.34 0.00 0.00 178.44 177.84 3m0w h GLU 6 N 0.98 0.45 -0.05 1.25 5.08 -1.75 -2.05 114.58 118.49 3m0w h GLU 6 Ca 0.19 -0.19 -0.11 0.00 -1.00 0.00 0.00 59.36 58.25 3m0w h GLU 6 Cb 0.45 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.67 3m0w h GLU 6 CO 0.02 0.72 -0.46 -0.22 -1.00 0.00 0.00 179.01 178.06 3m0w h LYS 7 N 0.38 0.11 -0.41 2.33 3.64 -0.33 -2.51 116.57 119.78 3m0w h LYS 7 Ca 0.05 -0.06 -0.14 0.00 -1.27 0.00 0.00 60.65 59.23 3m0w h LYS 7 Cb 0.76 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.57 3m0w h LYS 7 CO 0.06 0.55 -0.31 0.00 -2.27 0.00 0.00 179.45 177.49 3m0w h ALA 8 N 1.44 0.67 -0.61 5.00 0.00 -0.23 -0.50 119.26 125.03 3m0w h ALA 8 Ca 0.00 -0.42 -0.08 0.00 0.00 0.00 0.00 54.91 54.41 3m0w h ALA 8 Cb 0.85 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.48 3m0w h ALA 8 CO 0.07 0.67 0.07 -0.07 0.00 0.00 0.00 179.25 179.99 3m0w h LEU 9 N 0.77 0.96 -0.22 0.00 3.38 -1.30 -1.75 115.31 117.16 3m0w h LEU 9 Ca 0.08 -0.23 0.01 0.00 0.09 0.00 0.00 57.88 57.83 3m0w h LEU 9 Cb 0.88 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.36 3m0w h LEU 9 CO 0.08 0.98 0.12 -0.78 0.09 0.00 0.00 178.44 178.93 3m0w h ASP 10 N 0.94 0.20 -0.69 -0.43 1.82 -0.99 -1.56 116.42 115.70 3m0w h ASP 10 Ca 0.18 0.00 -0.05 0.00 -0.39 0.00 0.00 57.03 56.78 3m0w h ASP 10 Cb 0.45 -0.04 -0.03 0.00 0.68 0.00 0.00 39.33 40.39 3m0w h ASP 10 CO 0.02 0.15 0.25 0.58 -1.61 0.00 0.00 179.24 178.62 3m0w h VAL 11 N 0.26 1.25 -0.62 2.25 2.07 -0.90 0.88 116.25 121.43 3m0w h VAL 11 Ca 0.09 -0.82 -0.04 0.00 0.82 0.00 0.00 66.70 66.75 3m0w h VAL 11 Cb 0.00 0.44 -0.03 0.00 -1.52 0.00 0.00 31.29 30.18 3m0w h VAL 11 CO -0.05 0.33 0.25 0.24 0.02 0.00 0.00 177.57 178.36 3m0w h MET 12 N 1.04 0.93 0.07 1.57 2.86 -0.95 -0.22 114.93 120.23 3m0w h MET 12 Ca 0.23 -0.17 -0.27 0.00 -2.06 0.00 0.00 59.70 57.43 3m0w h MET 12 Cb 0.25 -0.15 0.03 0.00 0.06 0.00 0.00 31.60 31.78 3m0w h MET 12 CO -0.01 0.79 -1.11 0.28 1.06 0.00 0.00 176.91 177.92 3m0w h VAL 13 N 0.87 1.30 -0.14 -2.22 2.07 -0.96 -3.20 116.25 113.97 3m0w h VAL 13 Ca 0.21 -2.36 -0.15 0.00 0.82 0.00 0.00 66.70 65.22 3m0w h VAL 13 Cb 0.21 2.60 -0.01 0.00 -1.52 0.00 0.00 31.29 32.57 3m0w h VAL 13 CO -0.02 0.72 -0.57 0.28 0.02 0.00 0.00 177.57 178.01 3m0w h SER 14 N 0.26 0.47 -0.68 0.57 0.02 -0.78 -3.15 113.55 110.26 3m0w h SER 14 Ca -0.16 -0.25 -0.03 0.00 -0.84 0.00 0.00 61.79 60.50 3m0w h SER 14 Cb 1.79 -0.13 -0.03 0.00 0.14 0.00 0.00 62.40 64.16 3m0w h SER 14 CO 0.21 0.94 0.30 0.74 -1.14 0.00 0.00 176.83 177.88 3m0w h THR 15 N 0.32 1.23 -0.22 -2.27 2.02 -1.10 -1.44 112.91 111.46 3m0w h THR 15 Ca 0.00 -0.70 0.05 0.00 0.77 0.00 0.00 66.41 66.54 3m0w h THR 15 Cb 1.09 0.43 -0.05 0.00 -1.74 0.00 0.00 68.15 67.87 3m0w h THR 15 CO 0.10 0.28 -0.09 0.15 0.37 0.00 0.00 175.52 176.33 3m0w h PHE 16 N 0.96 -0.22 0.00 3.16 3.57 -1.54 -2.55 116.94 120.31 3m0w h PHE 16 Ca 0.23 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.72 3m0w h PHE 16 Cb 0.16 0.13 -0.00 0.00 2.79 0.00 0.00 35.95 39.03 3m0w h PHE 16 CO 0.01 -0.15 -0.14 0.45 -2.23 0.00 0.00 178.31 176.25 3m0w h HIS 17 N -0.06 0.00 -0.03 0.41 3.86 -1.46 -0.67 115.15 117.21 3m0w h HIS 17 Ca 0.12 0.00 -0.03 0.00 -1.16 0.00 0.00 60.37 59.29 3m0w h HIS 17 Cb 0.24 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.70 3m0w h HIS 17 CO -0.26 0.14 -0.15 -0.22 0.86 0.00 0.00 177.93 178.30 3m0w h LYS 18 N 0.00 0.04 0.00 2.45 3.64 -0.84 -3.11 116.57 118.75 3m0w h LYS 18 Ca -0.00 -0.01 -0.19 0.00 -1.27 0.00 0.00 60.65 59.18 3m0w h LYS 18 Cb 0.70 -0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 32.48 3m0w h LYS 18 CO 0.02 0.19 -1.81 0.66 -2.27 0.00 0.00 179.45 176.24 3m0w n TYR 19 N -4.35 0.00 0.05 1.91 4.01 -0.94 -4.57 117.16 113.27 3m0w n TYR 19 Ca -0.02 0.00 -0.04 0.00 -0.16 0.00 0.00 57.90 57.68 3m0w n TYR 19 Cb 0.23 -0.56 0.18 0.00 -0.31 0.00 0.00 39.34 38.87 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 0.39 -0.18 7.72 4.64 -1.17 -3.15 113.55 121.80 3m0w h SER 20 Ca -0.28 -0.17 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 3m0w h SER 20 Cb 1.57 -0.11 0.00 0.00 -0.31 0.00 0.00 62.40 63.55 3m0w h SER 20 CO 0.02 0.76 0.00 0.61 -0.87 0.00 0.00 176.83 177.34 3m0w n GLY 21 N -0.12 -0.08 0.07 -0.77 0.00 -1.03 -4.17 105.19 99.10 3m0w n GLY 21 Ca -0.01 -0.24 -0.13 0.00 0.00 0.00 0.00 46.02 45.64 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 1.21 -0.03 -5.10 1.61 1.57 -1.80 -3.47 116.57 110.56 3m0w h LYS 22 Ca 0.00 0.00 -0.37 0.00 -1.87 0.00 0.00 60.65 58.41 3m0w h LYS 22 Cb 0.28 0.01 -0.14 0.00 0.08 0.00 0.00 32.23 32.45 3m0w h LYS 22 CO 0.00 0.66 -0.67 -1.21 -0.57 0.00 0.00 179.45 177.66 3m0w s GLU 23 N -3.06 1.29 4.43 3.15 2.02 -1.26 -5.10 118.70 120.17 3m0w s GLU 23 Ca -0.16 -1.63 0.00 0.00 0.02 0.00 0.00 54.97 53.19 3m0w s GLU 23 Cb -0.01 -0.64 0.00 0.00 0.10 0.00 0.00 34.13 33.58 3m0w s GLU 23 CO 0.62 -0.06 0.00 0.41 0.02 0.00 0.00 175.26 176.26 3m0w n GLY 24 N -0.38 2.76 3.68 -1.39 0.00 -1.26 -4.36 105.19 104.24 3m0w n GLY 24 Ca -0.06 -0.21 -0.45 0.00 0.00 0.00 0.00 46.02 45.30 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 1.55 3.59 0.18 1.61 -0.08 -1.26 -4.86 116.55 117.28 3m0w n ASP 25 Ca 0.00 1.03 0.14 0.00 -1.51 0.00 0.00 54.79 54.44 3m0w n ASP 25 Cb 0.00 -1.47 0.45 0.00 2.34 0.00 0.00 41.12 42.44 3m0w n ASP 25 CO 0.00 0.00 0.00 0.07 0.12 0.00 0.00 177.20 177.39 3m0w h LYS 26 N 7.57 0.00 -0.25 -0.67 2.10 -1.76 -3.18 116.57 120.38 3m0w h LYS 26 Ca -0.46 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.18 3m0w h LYS 26 Cb 1.24 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.57 3m0w h LYS 26 CO 0.93 0.00 -0.00 1.19 -2.00 0.00 0.00 179.45 179.57 3m0w n PHE 27 N -2.67 0.89 -3.88 0.07 3.72 -1.26 -2.45 117.46 111.87 3m0w n PHE 27 Ca 0.03 -0.91 -0.11 0.00 -0.05 0.00 0.00 57.45 56.41 3m0w n PHE 27 Cb 0.37 -0.31 -0.11 0.00 -0.94 0.00 0.00 39.48 38.49 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 -2.85 0.34 -0.30 -1.08 1.02 -1.20 -4.28 119.74 111.38 3m0w s LYS 28 Ca 0.42 -0.28 -0.14 0.00 0.02 0.00 0.00 55.97 55.99 3m0w s LYS 28 Cb 0.34 0.14 -0.03 0.00 -0.52 0.00 0.00 37.83 37.76 3m0w s LYS 28 CO 0.08 -0.07 0.31 -0.51 -0.92 0.00 0.00 175.35 174.24 3m0w s LEU 29 N -0.96 4.19 0.84 3.17 1.43 0.15 -4.65 118.68 122.85 3m0w s LEU 29 Ca -0.10 -0.00 -0.12 0.00 -1.03 0.00 0.00 54.13 52.87 3m0w s LEU 29 Cb -0.06 -2.29 0.12 0.00 0.03 0.00 0.00 46.19 43.98 3m0w s LEU 29 CO 0.01 -0.20 1.19 0.54 0.23 0.00 0.00 176.35 178.12 3m0w s ASN 30 N 1.71 4.12 0.27 2.29 2.20 -1.26 -0.75 114.94 123.52 3m0w s ASN 30 Ca 0.11 0.52 0.00 0.00 -0.94 0.00 0.00 52.86 52.56 3m0w s ASN 30 Cb -0.16 -0.90 0.62 0.00 -2.00 0.00 0.00 41.25 38.81 3m0w s ASN 30 CO 0.11 -2.11 1.69 0.07 -2.94 0.00 0.00 177.10 173.92 3m0w h LYS 31 N -1.14 0.33 -0.27 3.55 5.09 -1.98 -0.02 116.57 122.13 3m0w h LYS 31 Ca -0.45 -0.02 -0.03 0.00 0.09 0.00 0.00 60.65 60.24 3m0w h LYS 31 Cb 1.30 -0.08 -0.01 0.00 0.10 0.00 0.00 32.23 33.54 3m0w h LYS 31 CO 0.55 0.22 0.03 1.03 -2.09 0.00 0.00 179.45 179.20 3m0w h SER 32 N 0.34 0.43 0.05 7.07 0.87 -1.98 -1.53 113.55 118.81 3m0w h SER 32 Ca 0.50 -0.27 -0.12 0.00 -1.23 0.00 0.00 61.79 60.67 3m0w h SER 32 Cb 0.92 -0.12 -0.01 0.00 -0.44 0.00 0.00 62.40 62.75 3m0w h SER 32 CO -0.53 0.60 -0.41 -0.33 -0.53 0.00 0.00 176.83 175.63 3m0w h GLU 33 N 0.26 0.45 -0.27 2.24 5.08 -1.66 -2.41 114.58 118.27 3m0w h GLU 33 Ca 0.08 -0.22 -0.12 0.00 -1.00 0.00 0.00 59.36 58.10 3m0w h GLU 33 Cb 0.35 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.59 3m0w h GLU 33 CO 0.01 0.78 -0.32 1.25 -1.00 0.00 0.00 179.01 179.73 3m0w h LEU 34 N 0.37 0.59 -0.57 1.33 5.85 -0.95 -1.94 115.31 119.98 3m0w h LEU 34 Ca 0.03 -0.23 0.00 0.00 0.84 0.00 0.00 57.88 58.53 3m0w h LEU 34 Cb 0.87 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 41.71 3m0w h LEU 34 CO 0.07 0.87 0.37 0.11 -0.34 0.00 0.00 178.44 179.53 3m0w h LYS 35 N 0.49 0.76 0.10 1.25 6.56 -0.95 -1.73 116.57 123.05 3m0w h LYS 35 Ca 0.06 -0.05 -0.00 0.00 -1.06 0.00 0.00 60.65 59.59 3m0w h LYS 35 Cb 0.79 -0.17 0.00 0.00 -0.57 0.00 0.00 32.23 32.28 3m0w h LYS 35 CO 0.06 0.51 -0.05 0.93 -2.06 0.00 0.00 179.45 178.85 3m0w h GLU 36 N 0.78 -0.13 -0.20 3.15 5.08 -1.18 -1.64 114.58 120.44 3m0w h GLU 36 Ca 0.21 0.01 0.01 0.00 -1.00 0.00 0.00 59.36 58.59 3m0w h GLU 36 Cb -0.08 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.19 3m0w h GLU 36 CO -0.04 0.02 0.12 1.25 -1.00 0.00 0.00 179.01 179.35 3m0w h LEU 37 N -0.24 0.19 -0.50 1.33 6.46 -1.23 0.20 115.31 121.51 3m0w h LEU 37 Ca -0.01 0.00 -0.00 0.00 -0.12 0.00 0.00 57.88 57.75 3m0w h LEU 37 Cb 0.20 -0.04 -0.02 0.00 -0.73 0.00 0.00 40.66 40.07 3m0w h LEU 37 CO 0.02 0.14 0.30 -0.07 -0.62 0.00 0.00 178.44 178.21 3m0w h LEU 38 N 0.24 0.61 -0.13 2.25 3.38 -1.36 0.26 115.31 120.56 3m0w h LEU 38 Ca 0.08 -0.06 -0.02 0.00 0.09 0.00 0.00 57.88 57.97 3m0w h LEU 38 Cb -0.00 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 40.59 3m0w h LEU 38 CO -0.04 0.49 -0.00 0.74 0.09 0.00 0.00 178.44 179.72 3m0w h THR 39 N 0.67 1.25 0.00 0.22 2.02 -0.81 -0.64 112.91 115.63 3m0w h THR 39 Ca 0.18 -0.82 -0.18 0.00 0.77 0.00 0.00 66.41 66.36 3m0w h THR 39 Cb -0.01 1.54 -0.03 0.00 -1.74 0.00 0.00 68.15 67.92 3m0w h THR 39 CO -0.03 0.24 -1.08 0.03 0.37 0.00 0.00 175.52 175.05 3m0w h ARG 40 N -0.04 0.00 0.00 6.66 3.08 -0.61 -3.37 114.38 120.11 3m0w h ARG 40 Ca 0.04 0.00 -0.13 0.00 0.07 0.00 0.00 59.98 59.96 3m0w h ARG 40 Cb 0.36 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.39 3m0w h ARG 40 CO 0.01 0.57 -1.62 0.39 -1.07 0.00 0.00 179.97 178.25 3m0w n GLU 41 N -3.14 1.86 -2.65 0.04 -0.58 0.90 -4.74 120.64 112.34 3m0w n GLU 41 Ca -0.05 -0.03 -0.19 0.00 -0.42 0.00 0.00 57.16 56.47 3m0w n GLU 41 Cb 0.87 -1.25 0.01 0.00 -0.57 0.00 0.00 31.44 30.49 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 -2.23 3.06 0.24 -4.62 4.77 -0.26 -4.91 117.00 113.05 3m0w n LEU 42 Ca -0.12 -4.64 0.09 0.00 -0.03 0.00 0.00 56.01 51.31 3m0w n LEU 42 Cb 0.68 -0.02 0.61 0.00 -2.33 0.00 0.00 43.42 42.36 3m0w n LEU 42 CO 0.21 1.98 0.92 1.55 -1.33 0.00 0.00 177.39 180.72 3m0w h PRO 43 N 2.82 0.00 -0.11 3.23 0.13 -1.69 -2.17 132.00 134.21 3m0w h PRO 43 Ca 0.11 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 65.12 3m0w h PRO 43 Cb 0.99 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.11 3m0w h PRO 43 CO 0.68 0.17 -0.45 0.77 -0.23 0.00 0.00 178.00 178.94 3m0w h SER 44 N 0.00 0.28 0.02 1.44 0.02 -1.91 -3.23 113.55 110.17 3m0w h SER 44 Ca -0.00 -0.13 -0.00 0.00 -0.84 0.00 0.00 61.79 60.82 3m0w h SER 44 Cb 0.38 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 62.84 3m0w h SER 44 CO 0.02 0.70 -0.01 0.15 -1.14 0.00 0.00 176.83 176.55 3m0w h PHE 45 N 0.22 -0.02 -1.62 3.45 3.57 -1.76 -3.56 116.94 117.23 3m0w h PHE 45 Ca 0.02 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.51 3m0w h PHE 45 Cb 0.88 0.01 0.00 0.00 2.79 0.00 0.00 35.95 39.63 3m0w h PHE 45 CO 0.02 0.55 0.00 1.28 -2.23 0.00 0.00 178.31 177.93 3m0w n LEU 46 N -4.82 0.00 -0.25 0.59 4.77 -1.16 -5.19 117.00 110.94 3m0w n LEU 46 Ca -0.09 -0.03 0.00 0.00 -0.03 0.00 0.00 56.01 55.87 3m0w n LEU 46 Cb 0.29 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.36 3m0w n LEU 46 CO 0.33 -0.95 0.00 -0.90 -1.33 0.00 0.00 177.39 174.54 3m0w n ASP 51 N -3.04 -0.33 0.11 -1.43 3.85 -1.26 -5.09 116.55 109.35 3m0w n ASP 51 Ca 0.00 0.00 -0.03 0.00 -0.71 0.00 0.00 54.79 54.05 3m0w n ASP 51 Cb 0.01 -0.17 0.16 0.00 -1.35 0.00 0.00 41.12 39.78 3m0w n ASP 51 CO 0.00 0.00 0.00 -0.08 -1.01 0.00 0.00 177.20 176.11 3m0w h GLU 52 N 0.00 0.16 -0.18 0.11 4.22 -2.05 -2.62 114.58 114.22 3m0w h GLU 52 Ca 0.00 -0.10 -0.04 0.00 0.08 0.00 0.00 59.36 59.30 3m0w h GLU 52 Cb 0.00 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.26 3m0w h GLU 52 CO 0.00 0.68 -0.03 0.00 -2.18 0.00 0.00 179.01 177.48 3m0w h ALA 53 N 1.30 0.24 -0.10 2.92 0.00 -2.05 -0.49 119.26 121.07 3m0w h ALA 53 Ca -0.00 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 54.65 3m0w h ALA 53 Cb 1.03 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.75 3m0w h ALA 53 CO 0.08 -0.01 -0.04 0.00 0.00 0.00 0.00 179.25 179.28 3m0w h ALA 54 N 0.74 1.74 -0.28 0.00 0.00 -1.99 -0.42 119.26 119.05 3m0w h ALA 54 Ca 0.05 -0.10 -0.18 0.00 0.00 0.00 0.00 54.91 54.68 3m0w h ALA 54 Cb 0.46 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.19 3m0w h ALA 54 CO 0.02 0.19 -0.52 0.35 0.00 0.00 0.00 179.25 179.29 3m0w h PHE 55 N 0.14 1.02 -0.57 0.00 3.57 -1.15 -2.32 116.94 117.64 3m0w h PHE 55 Ca 0.03 -0.35 -0.10 0.00 3.53 0.00 0.00 57.97 61.08 3m0w h PHE 55 Cb 0.18 -0.20 -0.02 0.00 2.79 0.00 0.00 35.95 38.70 3m0w h PHE 55 CO 0.00 1.16 -0.03 0.37 -2.23 0.00 0.00 178.31 177.58 3m0w h GLN 56 N 0.64 1.01 -0.26 1.11 5.75 -0.27 0.36 115.11 123.44 3m0w h GLN 56 Ca 0.02 -0.33 -0.06 0.00 -0.15 0.00 0.00 58.65 58.14 3m0w h GLN 56 Cb 1.11 -0.09 -0.02 0.00 1.07 0.00 0.00 27.48 29.56 3m0w h GLN 56 CO 0.11 1.01 -0.09 -0.22 -2.65 0.00 0.00 178.83 176.99 3m0w h LYS 57 N 0.92 0.42 -0.00 1.69 3.11 -0.99 -0.28 116.57 121.43 3m0w h LYS 57 Ca 0.16 -0.10 -0.05 0.00 -2.81 0.00 0.00 60.65 57.85 3m0w h LYS 57 Cb 0.57 -0.05 0.00 0.00 -1.00 0.00 0.00 32.23 31.75 3m0w h LYS 57 CO 0.03 0.52 -0.18 -0.07 -2.81 0.00 0.00 179.45 176.94 3m0w h LEU 58 N 0.40 0.17 -1.37 5.20 4.07 -1.14 -2.38 115.31 120.26 3m0w h LEU 58 Ca 0.08 -0.77 0.15 0.00 0.08 0.00 0.00 57.88 57.42 3m0w h LEU 58 Cb 0.40 -0.05 -0.07 0.00 1.08 0.00 0.00 40.66 42.03 3m0w h LEU 58 CO 0.02 0.92 0.56 -0.03 -1.08 0.00 0.00 178.44 178.83 3m0w h MET 59 N -0.57 0.59 -0.26 1.13 4.05 -0.77 -0.76 114.93 118.34 3m0w h MET 59 Ca -0.02 -0.04 -0.12 0.00 -0.28 0.00 0.00 59.70 59.25 3m0w h MET 59 Cb 0.94 -0.13 -0.00 0.00 -0.80 0.00 0.00 31.60 31.61 3m0w h MET 59 CO 0.04 0.39 -0.30 1.03 0.23 0.00 0.00 176.91 178.30 3m0w h SER 60 N 0.61 0.70 -0.68 1.39 0.87 -1.08 -2.41 113.55 112.94 3m0w h SER 60 Ca 0.43 -0.49 -0.03 0.00 -1.23 0.00 0.00 61.79 60.47 3m0w h SER 60 Cb 0.78 -0.20 -0.03 0.00 -0.44 0.00 0.00 62.40 62.51 3m0w h SER 60 CO -0.18 1.05 0.30 0.78 -0.53 0.00 0.00 176.83 178.25 3m0w h ASN 61 N 0.37 0.92 0.40 6.23 2.35 -0.74 -3.20 115.58 121.91 3m0w h ASN 61 Ca 0.04 -0.15 -0.21 0.00 -0.55 0.00 0.00 56.30 55.42 3m0w h ASN 61 Cb 0.87 -0.24 -0.00 0.00 0.05 0.00 0.00 38.32 39.00 3m0w h ASN 61 CO 0.07 0.82 -0.90 -0.07 -1.65 0.00 0.00 177.43 175.70 3m0w h LEU 62 N 0.96 0.44 -7.80 1.61 3.38 -1.20 -3.38 115.31 109.32 3m0w h LEU 62 Ca 0.23 -0.35 -0.69 0.00 0.09 0.00 0.00 57.88 57.16 3m0w h LEU 62 Cb 0.16 -0.14 -0.10 0.00 0.09 0.00 0.00 40.66 40.67 3m0w h LEU 62 CO -0.02 1.14 2.01 -0.67 0.09 0.00 0.00 178.44 180.99 3m0w n ASP 63 N -3.73 5.00 0.18 -0.43 2.03 -0.91 -4.77 116.55 113.91 3m0w n ASP 63 Ca -0.05 -2.93 0.06 0.00 0.52 0.00 0.00 54.79 52.38 3m0w n ASP 63 Cb 0.81 -1.70 0.24 0.00 -0.72 0.00 0.00 41.12 39.75 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 7.44 0.00 -0.23 1.67 4.64 -1.80 -2.79 113.55 122.48 3m0w h SER 64 Ca 0.42 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.74 3m0w h SER 64 Cb 0.87 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.96 3m0w h SER 64 CO 1.41 0.37 0.00 -0.46 -0.87 0.00 0.00 176.83 177.28 3m0w n ASN 65 N -3.35 2.29 -3.21 4.97 6.94 -1.26 -4.96 115.26 116.67 3m0w n ASN 65 Ca 0.01 -1.81 -0.23 0.00 -0.02 0.00 0.00 54.58 52.53 3m0w n ASN 65 Cb 0.58 -0.14 0.03 0.00 -2.36 0.00 0.00 39.78 37.88 3m0w n ASN 65 CO 0.00 0.00 0.00 0.54 -1.03 0.00 0.00 177.26 176.77 3m0w n ARG 66 N 0.74 -4.85 -0.33 -3.83 5.12 -1.05 -4.87 116.66 107.58 3m0w n ARG 66 Ca 0.17 0.78 0.09 0.00 -1.93 0.00 0.00 57.85 56.96 3m0w n ARG 66 Cb 0.43 -5.63 0.25 0.00 -1.16 0.00 0.00 32.46 26.36 3m0w n ARG 66 CO 0.00 0.00 0.00 -0.40 -1.93 0.00 0.00 177.63 175.30 3m0w n ASP 67 N -2.53 3.17 0.00 0.55 5.75 -1.26 -4.93 116.55 117.30 3m0w n ASP 67 Ca -0.07 -2.08 0.00 0.00 -0.01 0.00 0.00 54.79 52.63 3m0w n ASP 67 Cb 0.59 -0.40 0.00 0.00 -1.03 0.00 0.00 41.12 40.28 3m0w n ASP 67 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 3m0w n ASN 68 N 1.06 -1.69 -4.20 -1.12 5.03 -1.26 -4.99 115.26 108.10 3m0w n ASN 68 Ca 0.19 0.00 -0.12 0.00 0.87 0.00 0.00 54.58 55.52 3m0w n ASN 68 Cb 0.53 -0.80 -0.10 0.00 -1.02 0.00 0.00 39.78 38.39 3m0w n ASN 68 CO 0.00 0.00 0.00 -1.61 -1.83 0.00 0.00 177.26 173.82 3m0w s GLU 69 N -0.30 1.11 -0.30 3.52 2.02 -1.26 -4.49 118.70 119.00 3m0w s GLU 69 Ca 0.00 -1.56 -0.03 0.00 0.02 0.00 0.00 54.97 53.40 3m0w s GLU 69 Cb 0.00 0.13 0.04 0.00 0.10 0.00 0.00 34.13 34.40 3m0w s GLU 69 CO 0.00 -0.29 0.02 0.08 0.02 0.00 0.00 175.26 175.08 3m0w s VAL 70 N -4.00 3.23 0.79 2.63 1.01 0.07 -4.70 120.40 119.42 3m0w s VAL 70 Ca 0.31 -1.21 -0.07 0.00 0.00 0.00 0.00 61.98 61.00 3m0w s VAL 70 Cb 0.07 -2.80 0.12 0.00 0.00 0.00 0.00 36.38 33.78 3m0w s VAL 70 CO 0.07 -0.06 1.10 1.51 0.00 0.00 0.00 175.10 177.72 3m0w s ASP 71 N 1.32 4.16 0.42 3.32 1.47 -1.26 -0.67 116.67 125.42 3m0w s ASP 71 Ca -0.03 0.13 0.10 0.00 1.18 0.00 0.00 52.55 53.93 3m0w s ASP 71 Cb -0.19 -0.51 0.91 0.00 -0.34 0.00 0.00 42.92 42.79 3m0w s ASP 71 CO -0.00 -2.02 2.01 0.15 0.68 0.00 0.00 175.17 175.99 3m0w h PHE 72 N -0.88 0.29 -0.24 2.11 3.57 -2.00 -1.03 116.94 118.76 3m0w h PHE 72 Ca -0.42 -0.01 -0.10 0.00 3.53 0.00 0.00 57.97 60.97 3m0w h PHE 72 Cb 1.28 -0.09 -0.00 0.00 2.79 0.00 0.00 35.95 39.92 3m0w h PHE 72 CO -0.29 0.28 -0.26 0.37 -2.23 0.00 0.00 178.31 176.18 3m0w h GLN 73 N 0.29 0.60 -0.18 1.11 4.15 -1.96 -1.40 115.11 117.72 3m0w h GLN 73 Ca 0.07 -0.32 -0.08 0.00 0.77 0.00 0.00 58.65 59.09 3m0w h GLN 73 Cb 0.16 0.02 -0.01 0.00 0.21 0.00 0.00 27.48 27.85 3m0w h GLN 73 CO 0.00 0.92 -0.23 0.93 -1.93 0.00 0.00 178.83 178.53 3m0w h GLU 74 N 0.31 0.33 0.07 1.69 5.08 -1.77 -2.50 114.58 117.79 3m0w h GLU 74 Ca 0.04 -0.11 -0.00 0.00 -1.00 0.00 0.00 59.36 58.29 3m0w h GLU 74 Cb 0.82 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.04 3m0w h GLU 74 CO 0.06 0.54 -0.03 -0.92 -1.00 0.00 0.00 179.01 177.66 3m0w h TYR 75 N 0.30 -0.09 -0.86 4.33 3.20 -0.87 -2.11 116.97 120.88 3m0w h TYR 75 Ca 0.05 -0.00 -0.03 0.00 3.14 0.00 0.00 58.73 61.89 3m0w h TYR 75 Cb 0.57 0.03 -0.04 0.00 1.54 0.00 0.00 36.73 38.83 3m0w h TYR 75 CO 0.01 0.01 0.43 0.00 -1.64 0.00 0.00 178.16 176.97 3m0w h VAL 77 N 1.22 0.99 -0.17 0.00 2.07 -1.39 0.32 116.25 119.29 3m0w h VAL 77 Ca 0.30 -0.32 -0.01 0.00 0.82 0.00 0.00 66.70 67.49 3m0w h VAL 77 Cb 0.10 -0.03 -0.01 0.00 -1.52 0.00 0.00 31.29 29.83 3m0w h VAL 77 CO -0.04 0.17 0.09 0.15 0.02 0.00 0.00 177.57 177.96 3m0w h PHE 78 N 0.94 0.24 -0.50 1.57 3.57 -0.54 -0.47 116.94 121.75 3m0w h PHE 78 Ca 0.40 -0.01 -0.10 0.00 3.53 0.00 0.00 57.97 61.79 3m0w h PHE 78 Cb 0.27 -0.08 -0.02 0.00 2.79 0.00 0.00 35.95 38.92 3m0w h PHE 78 CO -0.03 0.26 -0.11 -0.07 -2.23 0.00 0.00 178.31 176.12 3m0w h LEU 79 N 0.16 0.91 -0.97 0.59 3.38 -0.35 -1.17 115.31 117.86 3m0w h LEU 79 Ca 0.06 -0.29 0.08 0.00 0.09 0.00 0.00 57.88 57.82 3m0w h LEU 79 Cb 0.10 -0.25 -0.07 0.00 0.09 0.00 0.00 40.66 40.53 3m0w h LEU 79 CO -0.01 1.03 0.62 0.28 0.09 0.00 0.00 178.44 180.45 3m0w h SER 80 N 0.82 0.97 -0.30 -0.43 0.02 -0.19 0.66 113.55 115.10 3m0w h SER 80 Ca 0.13 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 61.10 3m0w h SER 80 Cb 0.64 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 62.98 3m0w h SER 80 CO 0.04 0.59 0.19 0.00 -1.14 0.00 0.00 176.83 176.52 3m0w h ILE 82 N 0.39 0.97 -0.67 0.00 2.04 -0.59 -1.30 117.51 118.35 3m0w h ILE 82 Ca 0.11 -0.00 0.13 0.00 1.00 0.00 0.00 64.86 66.10 3m0w h ILE 82 Cb -0.02 0.96 -0.10 0.00 -0.74 0.00 0.00 36.82 36.93 3m0w h ILE 82 CO -0.02 0.00 0.16 0.00 0.00 0.00 0.00 178.15 178.29 3m0w h ALA 83 N 1.03 0.83 -0.49 1.87 0.00 -0.52 -0.04 119.26 121.94 3m0w h ALA 83 Ca 0.02 0.15 0.09 0.00 0.00 0.00 0.00 54.91 55.17 3m0w h ALA 83 Cb 0.02 0.20 -0.08 0.00 0.00 0.00 0.00 17.79 17.93 3m0w h ALA 83 CO -0.03 -0.31 -0.01 1.98 0.00 0.00 0.00 179.25 180.87 3m0w h MET 84 N 0.27 0.10 0.03 0.00 -1.53 0.22 0.13 114.93 114.15 3m0w h MET 84 Ca 0.36 -0.01 0.02 0.00 -3.44 0.00 0.00 59.70 56.63 3m0w h MET 84 Cb 0.57 -0.02 -0.02 0.00 -0.55 0.00 0.00 31.60 31.58 3m0w h MET 84 CO -0.45 0.06 -0.12 0.52 0.14 0.00 0.00 176.91 177.06 3m0w h MET 85 N 0.10 -0.22 -0.64 0.39 2.07 0.06 -2.70 114.93 113.99 3m0w h MET 85 Ca 0.24 0.01 0.10 0.00 -2.07 0.00 0.00 59.70 57.99 3m0w h MET 85 Cb 0.37 0.05 -0.07 0.00 -1.87 0.00 0.00 31.60 30.07 3m0w h MET 85 CO -0.42 -0.15 0.26 0.00 1.07 0.00 0.00 176.91 177.67 3m0w h ASN 87 N 0.44 0.40 -0.46 0.00 -1.24 -0.69 -0.52 115.58 113.52 3m0w h ASN 87 Ca 0.33 0.01 0.03 0.00 0.71 0.00 0.00 56.30 57.38 3m0w h ASN 87 Cb 0.40 -0.07 -0.02 0.00 0.73 0.00 0.00 38.32 39.36 3m0w h ASN 87 CO -0.31 0.23 0.30 -0.33 -1.29 0.00 0.00 177.43 176.03 3m0w h GLU 88 N 0.44 0.49 -0.63 6.67 5.08 -1.09 -1.53 114.58 124.01 3m0w h GLU 88 Ca 0.30 -0.03 0.03 0.00 -1.00 0.00 0.00 59.36 58.66 3m0w h GLU 88 Cb 0.60 -0.11 -0.04 0.00 0.50 0.00 0.00 28.75 29.70 3m0w h GLU 88 CO -0.09 0.32 0.39 0.35 -1.00 0.00 0.00 179.01 178.98 3m0w h PHE 89 N 0.50 0.73 0.00 4.33 3.57 -1.16 -1.96 116.94 122.95 3m0w h PHE 89 Ca 0.18 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.69 3m0w h PHE 89 Cb 0.11 -0.24 -0.00 0.00 2.79 0.00 0.00 35.95 38.61 3m0w h PHE 89 CO -0.00 0.41 -0.07 0.74 -2.23 0.00 0.00 178.31 177.16 3m0w h PHE 90 N 0.76 0.00 -0.02 0.41 -1.00 -1.35 -3.53 116.94 112.21 3m0w h PHE 90 Ca 0.25 0.00 0.00 0.00 2.81 0.00 0.00 57.97 61.03 3m0w h PHE 90 Cb 0.02 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.58 3m0w h PHE 90 CO -0.05 0.07 0.00 0.39 -1.61 0.00 0.00 178.31 177.11