#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3abm s THR 7 N 0.00 2.18 0.28 3.84 -4.23 -1.26 -4.80 115.64 111.65 3abm s THR 7 Ca 0.00 0.06 0.01 0.00 -1.18 0.00 0.00 61.69 60.58 3abm s THR 7 Cb 0.00 -2.24 0.27 0.00 1.34 0.00 0.00 72.50 71.87 3abm s THR 7 CO 0.00 -0.08 1.81 0.44 -0.54 0.00 0.00 174.62 176.25 3abm h ASP 8 N -2.16 0.81 -0.04 3.99 3.32 -2.05 -1.88 116.42 118.40 3abm h ASP 8 Ca -0.54 0.06 -0.07 0.00 0.02 0.00 0.00 57.03 56.50 3abm h ASP 8 Cb 1.31 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 40.75 3abm h ASP 8 CO 0.50 0.40 -0.16 -0.33 -1.72 0.00 0.00 179.24 177.93 3abm h GLU 9 N 0.87 0.38 0.13 3.56 3.07 -1.99 -0.89 114.58 119.71 3abm h GLU 9 Ca 0.49 -0.11 -0.29 0.00 -0.50 0.00 0.00 59.36 58.95 3abm h GLU 9 Cb 0.55 -0.04 0.02 0.00 -0.84 0.00 0.00 28.75 28.44 3abm h GLU 9 CO -0.29 0.54 -1.25 0.93 -1.40 0.00 0.00 179.01 177.54 3abm h GLU 10 N 0.35 0.44 0.21 2.33 5.08 -1.84 -2.34 114.58 118.82 3abm h GLU 10 Ca 0.06 -0.66 0.01 0.00 -1.00 0.00 0.00 59.36 57.78 3abm h GLU 10 Cb 0.49 0.23 -0.04 0.00 0.50 0.00 0.00 28.75 29.93 3abm h GLU 10 CO 0.03 1.29 -0.47 0.35 -1.00 0.00 0.00 179.01 179.21 3abm h PHE 11 N 0.17 -1.34 -0.83 4.33 3.04 -1.09 -2.13 116.94 119.09 3abm h PHE 11 Ca -0.17 0.03 0.11 0.00 3.98 0.00 0.00 57.97 61.92 3abm h PHE 11 Cb 1.94 0.56 -0.06 0.00 2.56 0.00 0.00 35.95 40.95 3abm h PHE 11 CO 0.09 -0.58 0.54 -0.44 -2.02 0.00 0.00 178.31 175.90 3abm h ASP 12 N -0.77 0.66 0.56 0.41 3.45 -1.17 -2.58 116.42 116.99 3abm h ASP 12 Ca -0.01 0.02 -0.24 0.00 0.43 0.00 0.00 57.03 57.23 3abm h ASP 12 Cb 0.75 -0.11 -0.00 0.00 -0.56 0.00 0.00 39.33 39.41 3abm h ASP 12 CO -0.22 0.38 -1.09 0.00 -1.57 0.00 0.00 179.24 176.75 3abm h ALA 13 N 1.60 0.25 -0.73 3.45 0.00 -1.27 0.29 119.26 122.85 3abm h ALA 13 Ca 0.39 -0.81 0.07 0.00 0.00 0.00 0.00 54.91 54.56 3abm h ALA 13 Cb 0.52 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 18.23 3abm h ALA 13 CO -0.16 0.93 0.42 0.00 0.00 0.00 0.00 179.25 180.44 3abm h ARG 14 N 0.12 0.72 -0.22 0.00 3.08 -1.00 -0.36 114.38 116.73 3abm h ARG 14 Ca -0.10 -0.04 -0.14 0.00 0.07 0.00 0.00 59.98 59.77 3abm h ARG 14 Cb 1.78 -0.16 0.00 0.00 0.08 0.00 0.00 29.97 31.66 3abm h ARG 14 CO 0.18 0.48 -0.41 -1.49 -1.07 0.00 0.00 179.97 177.66 3abm h TRP 15 N 0.75 0.83 -0.43 3.04 4.06 -1.16 -1.56 115.95 121.48 3abm h TRP 15 Ca 0.34 -0.30 0.07 0.00 2.06 0.00 0.00 58.89 61.06 3abm h TRP 15 Cb 0.23 -0.15 -0.06 0.00 -1.00 0.00 0.00 29.16 28.18 3abm h TRP 15 CO -0.07 1.06 0.08 0.28 -3.56 0.00 0.00 178.44 176.23 3abm h VAL 16 N 0.36 0.77 -0.77 1.49 2.07 -0.83 -1.99 116.25 117.34 3abm h VAL 16 Ca 0.01 -0.07 0.00 0.00 0.82 0.00 0.00 66.70 67.46 3abm h VAL 16 Cb 1.01 0.54 -0.04 0.00 -1.52 0.00 0.00 31.29 31.28 3abm h VAL 16 CO 0.09 0.04 0.50 0.74 0.02 0.00 0.00 177.57 178.96 3abm h THR 17 N 0.21 1.20 0.10 2.57 2.02 -1.01 -1.09 112.91 116.92 3abm h THR 17 Ca 0.21 -0.39 0.02 0.00 0.77 0.00 0.00 66.41 67.02 3abm h THR 17 Cb 0.26 0.08 -0.04 0.00 -1.74 0.00 0.00 68.15 66.71 3abm h THR 17 CO -0.28 0.20 -0.31 0.22 0.37 0.00 0.00 175.52 175.72 3abm h TYR 18 N 1.05 -0.85 0.00 3.16 3.20 -0.88 -2.41 116.97 120.24 3abm h TYR 18 Ca 0.28 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 62.14 3abm h TYR 18 Cb -0.10 0.36 -0.00 0.00 1.54 0.00 0.00 36.73 38.52 3abm h TYR 18 CO -0.02 -0.42 -0.13 0.74 -1.64 0.00 0.00 178.16 176.70 3abm h PHE 19 N -0.52 0.00 0.00 -3.82 -1.00 -1.20 -3.12 116.94 107.28 3abm h PHE 19 Ca 0.04 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.82 3abm h PHE 19 Cb 0.56 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.12 3abm h PHE 19 CO -0.29 0.13 0.00 0.09 -1.61 0.00 0.00 178.31 176.63 3abm n ASN 20 N -3.17 0.00 -4.68 2.17 3.02 -0.43 -4.46 115.26 107.72 3abm n ASN 20 Ca 0.02 0.43 -0.47 0.00 -0.03 0.00 0.00 54.58 54.54 3abm n ASN 20 Cb 0.51 -0.47 -0.04 0.00 -0.61 0.00 0.00 39.78 39.16 3abm n ASN 20 CO 0.00 0.00 0.00 1.17 -2.62 0.00 0.00 177.26 175.81 3abm n LYS 21 N -1.47 2.25 -0.25 3.52 4.81 -0.98 -4.85 118.16 121.18 3abm n LYS 21 Ca 0.06 0.82 -0.03 0.00 -0.87 0.00 0.00 58.31 58.29 3abm n LYS 21 Cb 0.26 -2.64 0.09 0.00 0.02 0.00 0.00 35.03 32.76 3abm n LYS 21 CO 0.00 0.00 0.00 -1.35 1.17 0.00 0.00 177.40 177.22 3abm h PRO 22 N 7.86 0.80 -0.93 1.64 0.11 -1.93 -2.42 132.00 137.13 3abm h PRO 22 Ca -0.47 -0.05 -0.46 0.00 0.11 0.00 0.00 66.00 65.13 3abm h PRO 22 Cb 1.26 -0.18 -0.28 0.00 0.11 0.00 0.00 31.00 31.91 3abm h PRO 22 CO 0.92 0.53 0.57 -0.40 -0.21 0.00 0.00 178.00 179.42 3abm n ASP 23 N -4.69 3.83 -4.57 -2.05 3.85 -1.26 -4.97 116.55 106.69 3abm n ASP 23 Ca 0.08 -3.57 -0.54 0.00 -0.71 0.00 0.00 54.79 50.05 3abm n ASP 23 Cb 0.11 -0.82 -0.07 0.00 -1.35 0.00 0.00 41.12 39.00 3abm n ASP 23 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 3abm n ILE 24 N -1.02 0.01 -2.68 2.12 3.06 -0.91 -4.97 119.36 114.96 3abm n ILE 24 Ca 0.56 -0.00 -0.22 0.00 -2.50 0.00 0.00 62.75 60.59 3abm n ILE 24 Cb 1.61 -0.62 0.09 0.00 0.54 0.00 0.00 39.64 41.26 3abm n ILE 24 CO 0.00 0.00 0.00 1.51 -2.50 0.00 0.00 176.55 175.56 3abm s ASP 25 N 0.48 4.59 0.22 9.51 1.47 -1.26 -4.93 116.67 126.74 3abm s ASP 25 Ca 0.87 -0.42 -0.04 0.00 1.18 0.00 0.00 52.55 54.14 3abm s ASP 25 Cb -1.04 -0.05 0.20 0.00 -0.34 0.00 0.00 42.92 41.69 3abm s ASP 25 CO 0.50 -1.69 1.62 0.00 0.68 0.00 0.00 175.17 176.29 3abm h ALA 26 N -0.33 0.87 -0.12 2.11 0.00 -1.98 -1.63 119.26 118.18 3abm h ALA 26 Ca -0.36 -0.39 0.03 0.00 0.00 0.00 0.00 54.91 54.20 3abm h ALA 26 Cb 1.27 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.89 3abm h ALA 26 CO 0.41 0.63 -0.07 2.35 0.00 0.00 0.00 179.25 182.58 3abm h TRP 27 N 0.62 -0.15 -0.80 0.00 7.01 -2.00 -2.09 115.95 118.54 3abm h TRP 27 Ca 0.08 0.01 -0.01 0.00 2.11 0.00 0.00 58.89 61.08 3abm h TRP 27 Cb 0.78 0.09 -0.04 0.00 -2.10 0.00 0.00 29.16 27.89 3abm h TRP 27 CO 0.04 -0.10 0.45 0.93 -2.79 0.00 0.00 178.44 176.96 3abm h GLU 28 N -0.06 1.10 -0.57 2.65 5.08 -1.89 0.53 114.58 121.41 3abm h GLU 28 Ca 0.07 -0.12 0.03 0.00 -1.00 0.00 0.00 59.36 58.34 3abm h GLU 28 Cb 0.16 -0.22 -0.04 0.00 0.50 0.00 0.00 28.75 29.15 3abm h GLU 28 CO -0.16 0.79 0.34 1.25 -1.00 0.00 0.00 179.01 180.24 3abm h LEU 29 N 1.11 0.56 -0.04 1.33 5.85 -1.06 0.32 115.31 123.37 3abm h LEU 29 Ca 0.28 0.01 -0.04 0.00 0.84 0.00 0.00 57.88 58.97 3abm h LEU 29 Cb 0.01 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 40.93 3abm h LEU 29 CO -0.05 0.39 -0.13 0.03 -0.34 0.00 0.00 178.44 178.34 3abm h ARG 30 N 0.68 0.15 -0.88 1.25 3.08 -0.94 -2.39 114.38 115.33 3abm h ARG 30 Ca 0.23 -0.11 0.16 0.00 0.07 0.00 0.00 59.98 60.33 3abm h ARG 30 Cb 0.03 0.02 -0.10 0.00 0.08 0.00 0.00 29.97 30.00 3abm h ARG 30 CO -0.11 0.74 0.46 -0.22 -1.07 0.00 0.00 179.97 179.78 3abm h LYS 31 N -0.41 0.60 -0.23 0.04 1.63 -0.92 -0.32 116.57 116.96 3abm h LYS 31 Ca -0.01 -0.04 -0.07 0.00 -0.85 0.00 0.00 60.65 59.69 3abm h LYS 31 Cb 0.76 -0.14 -0.01 0.00 -0.60 0.00 0.00 32.23 32.24 3abm h LYS 31 CO 0.03 0.40 -0.11 0.78 -3.45 0.00 0.00 179.45 177.09 3abm h GLY 32 N 0.62 0.53 0.98 5.01 0.00 -0.85 -1.19 103.07 108.17 3abm h GLY 32 Ca 0.49 -0.48 -0.09 0.00 0.00 0.00 0.00 47.33 47.26 3abm h GLY 32 CO -0.39 0.44 -0.09 -0.33 0.00 0.00 0.00 176.54 176.17 3abm h MET 33 N 0.21 0.77 -0.17 4.80 2.86 -1.07 -0.57 114.93 121.75 3abm h MET 33 Ca 0.05 -0.29 -0.07 0.00 -2.06 0.00 0.00 59.70 57.33 3abm h MET 33 Cb 0.61 -0.05 -0.01 0.00 0.06 0.00 0.00 31.60 32.22 3abm h MET 33 CO 0.03 0.90 -0.20 -0.91 1.06 0.00 0.00 176.91 177.79 3abm h ASN 34 N 0.58 0.29 -0.05 1.22 2.35 -1.09 -2.13 115.58 116.75 3abm h ASN 34 Ca 0.10 -0.08 -0.12 0.00 -0.55 0.00 0.00 56.30 55.66 3abm h ASN 34 Cb 0.61 -0.08 0.01 0.00 0.05 0.00 0.00 38.32 38.91 3abm h ASN 34 CO 0.04 0.51 -0.44 0.74 -1.65 0.00 0.00 177.43 176.62 3abm h THR 35 N 0.27 1.43 -0.91 2.81 2.02 -1.13 -3.35 112.91 114.05 3abm h THR 35 Ca 0.05 -1.89 -0.01 0.00 0.77 0.00 0.00 66.41 65.33 3abm h THR 35 Cb 0.51 2.44 -0.04 0.00 -1.74 0.00 0.00 68.15 69.32 3abm h THR 35 CO 0.03 0.55 0.51 0.25 0.37 0.00 0.00 175.52 177.23 3abm h LEU 36 N -0.12 1.12 0.00 2.58 5.85 -0.99 -0.46 115.31 123.29 3abm h LEU 36 Ca -0.04 -0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.59 3abm h LEU 36 Cb 1.12 -0.29 0.00 0.00 0.37 0.00 0.00 40.66 41.87 3abm h LEU 36 CO 0.09 0.89 0.00 1.33 -0.34 0.00 0.00 178.44 180.41 3abm n VAL 37 N -4.33 0.13 0.41 1.05 0.24 -0.81 -2.31 118.33 112.70 3abm n VAL 37 Ca 0.10 0.03 0.13 0.00 -2.04 0.00 0.00 64.34 62.56 3abm n VAL 37 Cb 0.09 -0.66 0.48 0.00 -1.47 0.00 0.00 33.84 32.29 3abm n VAL 37 CO 0.00 0.00 0.00 1.23 -2.14 0.00 0.00 176.83 175.92 3abm h GLY 38 N 3.76 0.00 -1.65 7.63 0.00 -1.21 -3.46 103.07 108.14 3abm h GLY 38 Ca 0.00 0.00 -0.49 0.00 0.00 0.00 0.00 47.33 46.84 3abm h GLY 38 CO 0.00 0.00 0.21 -0.19 0.00 0.00 0.00 176.54 176.56 3abm s TYR 39 N -3.33 3.42 -1.19 5.60 2.02 -0.98 -4.96 117.35 117.92 3abm s TYR 39 Ca 0.05 0.82 -0.08 0.00 -0.37 0.00 0.00 57.07 57.50 3abm s TYR 39 Cb 0.09 -2.62 0.22 0.00 -0.40 0.00 0.00 41.96 39.26 3abm s TYR 39 CO 0.50 -0.65 1.63 -3.47 -1.57 0.00 0.00 175.55 171.99 3abm n ASP 40 N -2.54 5.59 -3.47 2.29 4.64 -1.26 -4.84 116.55 116.96 3abm n ASP 40 Ca 0.04 -3.19 -0.10 0.00 -1.38 0.00 0.00 54.79 50.16 3abm n ASP 40 Cb 0.56 -1.41 -0.02 0.00 -1.04 0.00 0.00 41.12 39.21 3abm n ASP 40 CO 0.00 0.00 0.00 -1.48 -0.82 0.00 0.00 177.20 174.90 3abm s LEU 41 N -0.92 -0.44 -0.19 -2.67 0.05 -1.26 -5.13 118.68 108.11 3abm s LEU 41 Ca 0.36 -0.00 -0.12 0.00 0.05 0.00 0.00 54.13 54.43 3abm s LEU 41 Cb 0.05 2.24 -0.05 0.00 -2.05 0.00 0.00 46.19 46.39 3abm s LEU 41 CO 0.03 -0.75 0.21 -0.69 -0.55 0.00 0.00 176.35 174.59 3abm s VAL 42 N -3.36 5.36 0.14 1.48 1.01 -1.26 -4.96 120.40 118.80 3abm s VAL 42 Ca 0.03 0.34 -0.34 0.00 0.00 0.00 0.00 61.98 62.01 3abm s VAL 42 Cb -0.01 -3.54 -0.14 0.00 0.00 0.00 0.00 36.38 32.68 3abm s VAL 42 CO -0.11 0.40 1.55 -2.65 0.00 0.00 0.00 175.10 174.29 3abm n PRO 43 N 3.71 1.98 -1.42 2.72 -0.02 -1.26 -4.94 135.00 135.78 3abm n PRO 43 Ca -0.14 0.71 -0.42 0.00 -2.02 0.00 0.00 63.50 61.63 3abm n PRO 43 Cb 0.52 -2.47 0.00 0.00 -0.02 0.00 0.00 33.50 31.53 3abm n PRO 43 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 3abm n GLU 44 N 3.40 0.40 -0.18 -0.52 -0.58 -1.26 -4.78 120.64 117.12 3abm n GLU 44 Ca 0.17 0.15 0.25 0.00 -0.42 0.00 0.00 57.16 57.31 3abm n GLU 44 Cb 0.27 -1.34 0.66 0.00 -0.57 0.00 0.00 31.44 30.45 3abm n GLU 44 CO 0.00 0.00 0.00 -1.35 -0.48 0.00 0.00 177.13 175.30 3abm h PRO 45 N 0.75 0.12 0.00 3.49 0.11 -1.92 -0.41 132.00 134.15 3abm h PRO 45 Ca -0.38 -0.01 -0.06 0.00 0.11 0.00 0.00 66.00 65.66 3abm h PRO 45 Cb 1.41 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 32.49 3abm h PRO 45 CO 0.51 0.08 -0.28 1.57 -0.21 0.00 0.00 178.00 179.67 3abm h LYS 46 N 0.12 0.00 0.07 1.05 2.10 -1.98 0.85 116.57 118.78 3abm h LYS 46 Ca 0.42 0.00 -0.21 0.00 -2.00 0.00 0.00 60.65 58.87 3abm h LYS 46 Cb 1.48 0.00 0.02 0.00 -0.90 0.00 0.00 32.23 32.83 3abm h LYS 46 CO -0.06 0.28 -0.84 0.82 -2.00 0.00 0.00 179.45 177.64 3abm h ILE 47 N 0.00 1.40 -0.29 0.07 2.04 -1.42 -2.78 117.51 116.55 3abm h ILE 47 Ca -0.00 -2.30 0.00 0.00 1.00 0.00 0.00 64.86 63.56 3abm h ILE 47 Cb 0.73 2.76 -0.01 0.00 -0.74 0.00 0.00 36.82 39.56 3abm h ILE 47 CO 0.04 0.67 0.18 0.40 0.00 0.00 0.00 178.15 179.44 3abm h ILE 48 N -0.05 1.08 -0.49 -0.67 1.08 -1.10 -1.43 117.51 115.93 3abm h ILE 48 Ca -0.12 -0.17 0.10 0.00 -0.39 0.00 0.00 64.86 64.27 3abm h ILE 48 Cb 1.57 0.69 -0.10 0.00 -3.07 0.00 0.00 36.82 35.91 3abm h ILE 48 CO 0.16 0.08 -0.21 -0.78 -0.69 0.00 0.00 178.15 176.71 3abm h ASP 49 N 0.38 -0.74 -0.62 1.72 -0.00 -0.90 0.37 116.42 116.62 3abm h ASP 49 Ca 0.10 0.18 -0.02 0.00 -0.00 0.00 0.00 57.03 57.29 3abm h ASP 49 Cb -0.02 0.41 -0.03 0.00 -0.00 0.00 0.00 39.33 39.68 3abm h ASP 49 CO -0.02 -0.24 0.30 0.00 -0.00 0.00 0.00 179.24 179.28 3abm h ALA 50 N 1.24 1.32 -0.11 -0.78 0.00 -1.14 -1.88 119.26 117.90 3abm h ALA 50 Ca 0.23 -0.14 -0.17 0.00 0.00 0.00 0.00 54.91 54.84 3abm h ALA 50 Cb 0.46 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 3abm h ALA 50 CO -0.56 0.53 -0.64 0.00 0.00 0.00 0.00 179.25 178.58 3abm h ALA 51 N 1.42 0.68 -0.52 0.00 0.00 -0.20 -1.90 119.26 118.73 3abm h ALA 51 Ca 0.22 -0.56 -0.05 0.00 0.00 0.00 0.00 54.91 54.53 3abm h ALA 51 Cb 0.11 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 3abm h ALA 51 CO -0.03 0.73 0.13 -0.07 0.00 0.00 0.00 179.25 180.01 3abm h LEU 52 N 0.31 0.74 -0.47 0.00 3.38 0.08 -1.10 115.31 118.26 3abm h LEU 52 Ca -0.01 -0.13 -0.17 0.00 0.09 0.00 0.00 57.88 57.66 3abm h LEU 52 Cb 1.19 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.74 3abm h LEU 52 CO 0.11 0.72 -0.69 0.03 0.09 0.00 0.00 178.44 178.70 3abm h ARG 53 N 0.77 0.36 -0.68 1.13 3.08 -1.22 -1.39 114.38 116.43 3abm h ARG 53 Ca 0.17 -0.28 -0.08 0.00 0.07 0.00 0.00 59.98 59.86 3abm h ARG 53 Cb 0.27 0.05 -0.03 0.00 0.08 0.00 0.00 29.97 30.35 3abm h ARG 53 CO -0.00 0.92 0.12 0.00 -1.07 0.00 0.00 179.97 179.94 3abm h ALA 54 N 1.01 0.93 -0.61 0.04 0.00 -1.16 -1.35 119.26 118.12 3abm h ALA 54 Ca -0.02 -0.27 0.09 0.00 0.00 0.00 0.00 54.91 54.72 3abm h ALA 54 Cb 1.25 -0.26 -0.07 0.00 0.00 0.00 0.00 17.79 18.71 3abm h ALA 54 CO 0.12 0.67 0.22 0.00 0.00 0.00 0.00 179.25 180.26 3abm h ARG 56 N 0.40 0.27 0.00 0.00 9.65 -0.80 0.92 114.38 124.82 3abm h ARG 56 Ca 0.31 -0.02 0.00 0.00 -1.10 0.00 0.00 59.98 59.17 3abm h ARG 56 Cb 0.38 -0.06 0.00 0.00 -1.39 0.00 0.00 29.97 28.90 3abm h ARG 56 CO -0.31 0.18 0.00 0.00 2.80 0.00 0.00 179.97 182.64 3abm h ARG 57 N 0.28 0.00 -0.37 0.20 3.08 -0.90 -0.73 114.38 115.93 3abm h ARG 57 Ca 0.11 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.16 3abm h ARG 57 Cb 0.04 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.09 3abm h ARG 57 CO -0.08 0.00 0.00 1.28 -1.07 0.00 0.00 179.97 180.10 3abm n LEU 58 N -2.65 3.42 -3.26 3.04 4.77 -0.66 -4.95 117.00 116.70 3abm n LEU 58 Ca 0.01 -1.49 -0.23 0.00 -0.03 0.00 0.00 56.01 54.26 3abm n LEU 58 Cb 0.22 -0.24 0.04 0.00 -2.33 0.00 0.00 43.42 41.12 3abm n LEU 58 CO 0.22 0.73 0.07 0.59 -1.33 0.00 0.00 177.39 177.66 3abm n ASN 59 N 1.45 -5.90 -4.01 -1.43 3.02 -0.17 -4.94 115.26 103.28 3abm n ASN 59 Ca 0.19 -0.40 -0.33 0.00 -0.03 0.00 0.00 54.58 54.01 3abm n ASN 59 Cb 0.60 -4.73 -0.12 0.00 -0.61 0.00 0.00 39.78 34.91 3abm n ASN 59 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3abm s ASP 60 N -2.90 4.72 0.19 6.41 3.68 0.14 -4.92 116.67 124.00 3abm s ASP 60 Ca 0.41 -2.97 -0.09 0.00 2.13 0.00 0.00 52.55 52.03 3abm s ASP 60 Cb -0.19 -1.73 0.11 0.00 -1.45 0.00 0.00 42.92 39.66 3abm s ASP 60 CO 0.51 -0.29 1.73 0.15 0.13 0.00 0.00 175.17 177.40 3abm h PHE 61 N 6.69 1.13 -0.43 -5.34 3.57 -1.92 -3.22 116.94 117.42 3abm h PHE 61 Ca -0.05 -0.12 -0.13 0.00 3.53 0.00 0.00 57.97 61.21 3abm h PHE 61 Cb 0.91 -0.33 -0.01 0.00 2.79 0.00 0.00 35.95 39.32 3abm h PHE 61 CO 0.61 0.90 -0.24 0.00 -2.23 0.00 0.00 178.31 177.35 3abm h ALA 62 N 1.10 0.60 -0.09 2.41 0.00 -1.97 -2.29 119.26 119.01 3abm h ALA 62 Ca 0.22 -0.40 -0.03 0.00 0.00 0.00 0.00 54.91 54.71 3abm h ALA 62 Cb 0.31 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 3abm h ALA 62 CO -0.01 0.60 -0.07 0.77 0.00 0.00 0.00 179.25 180.55 3abm h SER 63 N 0.75 0.12 -0.71 0.00 0.02 -1.98 -1.45 113.55 110.29 3abm h SER 63 Ca 0.09 -0.02 -0.05 0.00 -0.84 0.00 0.00 61.79 60.98 3abm h SER 63 Cb 0.82 -0.03 -0.03 0.00 0.14 0.00 0.00 62.40 63.29 3abm h SER 63 CO 0.07 0.22 0.26 0.00 -1.14 0.00 0.00 176.83 176.24 3abm h ALA 64 N 1.80 0.93 -0.39 3.77 0.00 -1.43 -0.57 119.26 123.36 3abm h ALA 64 Ca 0.03 -0.20 -0.11 0.00 0.00 0.00 0.00 54.91 54.63 3abm h ALA 64 Cb 0.22 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 3abm h ALA 64 CO 0.01 0.58 -0.22 0.28 0.00 0.00 0.00 179.25 179.90 3abm h VAL 65 N 1.03 1.27 -0.13 0.00 2.07 -1.07 -2.57 116.25 116.85 3abm h VAL 65 Ca 0.24 -1.33 -0.11 0.00 0.82 0.00 0.00 66.70 66.32 3abm h VAL 65 Cb 0.25 1.20 -0.01 0.00 -1.52 0.00 0.00 31.29 31.21 3abm h VAL 65 CO -0.02 0.45 -0.38 -0.09 0.02 0.00 0.00 177.57 177.55 3abm h ARG 66 N 0.68 0.29 -0.62 1.57 9.65 -0.91 -1.49 114.38 123.54 3abm h ARG 66 Ca 0.09 -0.13 -0.08 0.00 -1.10 0.00 0.00 59.98 58.77 3abm h ARG 66 Cb 0.73 -0.01 -0.02 0.00 -1.39 0.00 0.00 29.97 29.28 3abm h ARG 66 CO 0.06 0.63 0.09 0.82 2.80 0.00 0.00 179.97 184.37 3abm h ILE 67 N 0.24 1.26 -0.66 1.20 2.04 -0.73 -0.77 117.51 120.11 3abm h ILE 67 Ca 0.03 -1.03 -0.08 0.00 1.00 0.00 0.00 64.86 64.78 3abm h ILE 67 Cb 0.79 0.72 -0.03 0.00 -0.74 0.00 0.00 36.82 37.57 3abm h ILE 67 CO 0.06 0.38 0.10 -0.07 0.00 0.00 0.00 178.15 178.63 3abm h LEU 68 N 0.94 1.04 -1.25 1.44 3.38 -1.05 -1.99 115.31 117.83 3abm h LEU 68 Ca 0.19 -0.26 0.04 0.00 0.09 0.00 0.00 57.88 57.93 3abm h LEU 68 Cb 0.45 -0.28 -0.05 0.00 0.09 0.00 0.00 40.66 40.88 3abm h LEU 68 CO 0.01 1.04 0.52 -0.33 0.09 0.00 0.00 178.44 179.78 3abm h GLU 69 N 1.01 0.95 0.00 1.13 5.08 -0.53 -2.70 114.58 119.51 3abm h GLU 69 Ca 0.20 -0.06 -0.17 0.00 -1.00 0.00 0.00 59.36 58.33 3abm h GLU 69 Cb 0.44 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 29.45 3abm h GLU 69 CO 0.01 0.63 -0.82 -0.24 -1.00 0.00 0.00 179.01 177.59 3abm h VAL 70 N 0.98 1.58 -0.50 3.13 3.04 -0.47 -0.52 116.25 123.49 3abm h VAL 70 Ca 0.32 -2.83 0.04 0.00 -1.01 0.00 0.00 66.70 63.22 3abm h VAL 70 Cb 0.05 2.53 -0.04 0.00 -2.01 0.00 0.00 31.29 31.82 3abm h VAL 70 CO -0.09 0.80 0.26 0.58 -1.01 0.00 0.00 177.57 178.12 3abm h VAL 71 N 0.00 0.99 -0.67 1.51 2.07 -1.08 0.12 116.25 119.19 3abm h VAL 71 Ca -0.01 -0.18 -0.08 0.00 0.82 0.00 0.00 66.70 67.26 3abm h VAL 71 Cb 1.46 0.42 -0.03 0.00 -1.52 0.00 0.00 31.29 31.62 3abm h VAL 71 CO 0.11 0.10 0.12 0.50 0.02 0.00 0.00 177.57 178.41 3abm h LYS 72 N 0.52 1.09 -0.43 1.57 3.64 -1.17 -2.81 116.57 118.98 3abm h LYS 72 Ca 0.21 -0.28 -0.12 0.00 -1.27 0.00 0.00 60.65 59.19 3abm h LYS 72 Cb 0.10 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 31.77 3abm h LYS 72 CO -0.13 0.99 -0.21 0.22 -2.27 0.00 0.00 179.45 178.05 3abm h ASP 73 N 1.03 0.86 0.67 4.20 3.58 -0.36 -2.96 116.42 123.44 3abm h ASP 73 Ca 0.21 -0.31 -0.00 0.00 0.42 0.00 0.00 57.03 57.34 3abm h ASP 73 Cb 0.42 -0.24 -0.00 0.00 1.72 0.00 0.00 39.33 41.24 3abm h ASP 73 CO 0.01 1.04 -0.01 0.11 -2.88 0.00 0.00 179.24 177.51 3abm h LYS 74 N 0.74 0.00 0.00 0.28 1.79 -0.53 -2.15 116.57 116.71 3abm h LYS 74 Ca 0.10 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.57 3abm h LYS 74 Cb 0.74 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.39 3abm h LYS 74 CO 0.06 0.01 -0.18 0.00 -1.08 0.00 0.00 179.45 178.26 3abm n ALA 75 N -2.10 2.53 -0.90 3.86 0.00 -1.12 -4.75 120.51 118.03 3abm n ALA 75 Ca -0.01 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.32 3abm n ALA 75 Cb 0.23 -1.38 0.00 0.00 0.00 0.00 0.00 19.45 18.31 3abm n ALA 75 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3abm n GLY 76 N 1.37 3.64 0.26 0.00 0.00 -0.81 -1.32 105.19 108.33 3abm n GLY 76 Ca 0.05 -0.06 0.15 0.00 0.00 0.00 0.00 46.02 46.16 3abm n GLY 76 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3abm n PRO 77 N 13.80 1.25 -2.65 1.61 -0.04 -1.26 -4.54 135.00 143.18 3abm n PRO 77 Ca 0.00 -0.53 -0.43 0.00 -0.04 0.00 0.00 63.50 62.50 3abm n PRO 77 Cb 0.00 -1.49 -0.01 0.00 -0.04 0.00 0.00 33.50 31.96 3abm n PRO 77 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 3abm s HIS 78 N -2.11 2.82 -0.37 0.54 3.76 -0.44 -4.82 115.29 114.67 3abm s HIS 78 Ca 0.38 -1.42 0.22 0.00 -0.15 0.00 0.00 55.06 54.10 3abm s HIS 78 Cb 0.21 -4.65 1.05 0.00 1.11 0.00 0.00 32.58 30.30 3abm s HIS 78 CO 0.38 -1.77 1.68 1.63 -0.85 0.00 0.00 174.74 175.81 3abm n LYS 79 N 8.07 0.17 0.13 1.40 5.02 -1.26 -2.35 118.16 129.34 3abm n LYS 79 Ca 0.40 0.52 0.13 0.00 -2.02 0.00 0.00 58.31 57.34 3abm n LYS 79 Cb 0.47 -1.91 0.40 0.00 -0.02 0.00 0.00 35.03 33.98 3abm n LYS 79 CO 0.00 0.00 0.00 1.05 -0.52 0.00 0.00 177.40 177.93 3abm h GLU 80 N 0.00 0.00 -0.00 1.97 9.09 -1.97 -3.37 114.58 120.30 3abm h GLU 80 Ca 0.00 0.00 -0.05 0.00 0.05 0.00 0.00 59.36 59.36 3abm h GLU 80 Cb 0.21 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.31 3abm h GLU 80 CO 0.00 0.00 -0.18 0.82 0.05 0.00 0.00 179.01 179.70 3abm h ILE 81 N 0.00 1.57 0.03 -1.06 2.04 -1.86 -3.20 117.51 115.04 3abm h ILE 81 Ca 0.00 -1.92 -0.00 0.00 1.00 0.00 0.00 64.86 63.94 3abm h ILE 81 Cb 0.70 2.80 0.00 0.00 -0.74 0.00 0.00 36.82 39.58 3abm h ILE 81 CO 0.00 0.52 -0.02 0.22 0.00 0.00 0.00 178.15 178.87 3abm h TYR 82 N -0.58 -0.04 -0.92 1.37 5.03 -1.78 -0.41 116.97 119.63 3abm h TYR 82 Ca -0.02 -0.00 0.15 0.00 2.58 0.00 0.00 58.73 61.44 3abm h TYR 82 Cb 0.95 0.01 -0.08 0.00 1.55 0.00 0.00 36.73 39.17 3abm h TYR 82 CO 0.19 0.17 0.59 -1.35 -1.32 0.00 0.00 178.16 176.44 3abm h PRO 83 N -0.25 0.70 -0.28 1.82 0.11 -1.77 -1.43 132.00 130.91 3abm h PRO 83 Ca -0.00 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 66.04 3abm h PRO 83 Cb 0.23 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 31.17 3abm h PRO 83 CO 0.01 0.46 0.08 -0.92 -0.21 0.00 0.00 178.00 177.42 3abm h TYR 84 N 0.72 0.45 -0.64 0.65 3.20 -1.42 -0.49 116.97 119.45 3abm h TYR 84 Ca 0.47 -0.05 -0.08 0.00 3.14 0.00 0.00 58.73 62.22 3abm h TYR 84 Cb 0.74 -0.13 -0.03 0.00 1.54 0.00 0.00 36.73 38.86 3abm h TYR 84 CO -0.00 0.49 0.09 0.28 -1.64 0.00 0.00 178.16 177.38 3abm h VAL 85 N 0.29 1.26 -0.41 1.81 2.07 -0.33 -1.79 116.25 119.14 3abm h VAL 85 Ca 0.09 -1.04 -0.06 0.00 0.82 0.00 0.00 66.70 66.52 3abm h VAL 85 Cb 0.25 0.67 -0.02 0.00 -1.52 0.00 0.00 31.29 30.68 3abm h VAL 85 CO -0.00 0.39 0.04 0.40 0.02 0.00 0.00 177.57 178.41 3abm h ILE 86 N 0.99 1.25 -0.24 4.57 1.08 -1.25 -1.62 117.51 122.29 3abm h ILE 86 Ca 0.19 -0.95 0.06 0.00 -0.39 0.00 0.00 64.86 63.78 3abm h ILE 86 Cb 0.45 1.05 -0.07 0.00 -3.07 0.00 0.00 36.82 35.18 3abm h ILE 86 CO 0.01 0.32 -0.27 -0.61 -0.69 0.00 0.00 178.15 176.92 3abm h GLN 87 N 0.55 -0.27 0.00 2.37 4.15 -0.75 -0.80 115.11 120.37 3abm h GLN 87 Ca 0.12 0.02 -0.02 0.00 0.77 0.00 0.00 58.65 59.54 3abm h GLN 87 Cb 0.42 0.06 -0.00 0.00 0.21 0.00 0.00 27.48 28.17 3abm h GLN 87 CO 0.01 -0.18 -0.08 0.93 -1.93 0.00 0.00 178.83 177.59 3abm h GLU 88 N -0.28 0.00 0.00 1.69 4.39 -1.11 -2.89 114.58 116.39 3abm h GLU 88 Ca 0.13 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.83 3abm h GLU 88 Cb 0.49 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.14 3abm h GLU 88 CO -0.40 0.08 -0.69 1.28 -1.16 0.00 0.00 179.01 178.12 3abm n LEU 89 N -3.62 0.61 -0.25 1.33 4.77 -0.56 -4.55 117.00 114.73 3abm n LEU 89 Ca -0.02 -0.02 0.05 0.00 -0.03 0.00 0.00 56.01 55.99 3abm n LEU 89 Cb 0.20 -0.18 0.19 0.00 -2.33 0.00 0.00 43.42 41.30 3abm n LEU 89 CO 0.29 0.09 1.00 -0.09 -1.33 0.00 0.00 177.39 177.34 3abm h ARG 90 N 0.00 0.39 -1.00 3.23 9.65 -0.97 0.36 114.38 126.04 3abm h ARG 90 Ca 0.00 -0.02 0.07 0.00 -1.10 0.00 0.00 59.98 58.92 3abm h ARG 90 Cb 0.59 -0.09 -0.07 0.00 -1.39 0.00 0.00 29.97 29.02 3abm h ARG 90 CO 0.00 0.26 0.65 -1.35 2.80 0.00 0.00 179.97 182.32 3abm h PRO 91 N 0.40 1.14 -0.17 0.20 0.11 -1.82 0.12 132.00 131.97 3abm h PRO 91 Ca 0.42 -0.07 -0.16 0.00 0.11 0.00 0.00 66.00 66.30 3abm h PRO 91 Cb 0.66 -0.26 0.00 0.00 0.11 0.00 0.00 31.00 31.51 3abm h PRO 91 CO -0.43 0.75 -0.52 1.15 -0.21 0.00 0.00 178.00 178.75 3abm h THR 92 N 1.17 1.32 -0.39 -1.15 2.02 -0.83 0.24 112.91 115.29 3abm h THR 92 Ca 0.43 -1.76 0.04 0.00 0.77 0.00 0.00 66.41 65.89 3abm h THR 92 Cb 0.17 1.96 -0.04 0.00 -1.74 0.00 0.00 68.15 68.51 3abm h THR 92 CO -0.18 0.55 0.17 -0.07 0.37 0.00 0.00 175.52 176.36 3abm h LEU 93 N 0.33 0.23 -0.14 2.58 3.38 -0.05 -0.31 115.31 121.33 3abm h LEU 93 Ca -0.02 0.03 0.01 0.00 0.09 0.00 0.00 57.88 58.00 3abm h LEU 93 Cb 1.14 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.86 3abm h LEU 93 CO 0.11 0.17 0.05 0.78 0.09 0.00 0.00 178.44 179.64 3abm h ASN 94 N 0.36 0.06 -0.56 -0.43 -0.26 -0.67 0.66 115.58 114.74 3abm h ASN 94 Ca 0.17 0.01 0.01 0.00 -0.56 0.00 0.00 56.30 55.94 3abm h ASN 94 Cb 0.11 0.01 -0.03 0.00 -1.06 0.00 0.00 38.32 37.35 3abm h ASN 94 CO -0.14 0.05 0.36 -0.08 -1.06 0.00 0.00 177.43 176.56 3abm h GLU 95 N 0.12 0.72 -0.02 0.81 4.81 -0.08 -2.82 114.58 118.12 3abm h GLU 95 Ca 0.06 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.25 3abm h GLU 95 Cb 0.03 -0.16 0.00 0.00 0.63 0.00 0.00 28.75 29.25 3abm h GLU 95 CO -0.06 0.47 -0.00 1.28 -0.73 0.00 0.00 179.01 179.97 3abm n LEU 96 N -4.71 1.64 -3.51 1.64 4.77 -0.16 -4.96 117.00 111.70 3abm n LEU 96 Ca 0.04 -0.55 -0.24 0.00 -0.03 0.00 0.00 56.01 55.23 3abm n LEU 96 Cb 0.03 -0.00 0.07 0.00 -2.33 0.00 0.00 43.42 41.19 3abm n LEU 96 CO 0.35 0.27 0.22 0.61 -1.33 0.00 0.00 177.39 177.51 3abm n GLY 97 N 1.19 -0.54 3.63 -0.72 0.00 0.04 -4.99 105.19 103.81 3abm n GLY 97 Ca 0.18 0.24 -0.40 0.00 0.00 0.00 0.00 46.02 46.05 3abm n GLY 97 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3abm s ILE 98 N -3.30 5.07 0.23 -0.61 1.01 -0.12 -5.04 121.20 118.44 3abm s ILE 98 Ca 0.55 0.90 -0.22 0.00 0.00 0.00 0.00 60.65 61.89 3abm s ILE 98 Cb -0.24 -3.83 -0.08 0.00 0.01 0.00 0.00 42.46 38.31 3abm s ILE 98 CO 0.69 0.10 0.76 -0.44 0.00 0.00 0.00 174.94 176.05 3abm s SER 99 N 1.46 7.16 0.70 3.58 0.01 -1.26 -4.68 113.70 120.67 3abm s SER 99 Ca 0.22 1.52 -0.11 0.00 1.31 0.00 0.00 55.95 58.88 3abm s SER 99 Cb -0.16 -2.46 0.01 0.00 0.21 0.00 0.00 66.02 63.63 3abm s SER 99 CO 0.09 0.05 1.07 0.42 0.41 0.00 0.00 173.24 175.28 3abm s THR 100 N -1.47 3.84 0.37 1.44 -4.23 -1.26 -4.80 115.64 109.53 3abm s THR 100 Ca 0.43 0.60 0.11 0.00 -1.18 0.00 0.00 61.69 61.65 3abm s THR 100 Cb -0.18 -3.46 0.34 0.00 1.34 0.00 0.00 72.50 70.54 3abm s THR 100 CO 0.22 -0.78 1.85 -0.65 -0.54 0.00 0.00 174.62 174.72 3abm h PRO 101 N -0.69 0.59 -0.36 3.99 0.11 -1.96 -1.35 132.00 132.32 3abm h PRO 101 Ca -0.45 -0.04 -0.09 0.00 0.11 0.00 0.00 66.00 65.54 3abm h PRO 101 Cb 1.23 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 32.20 3abm h PRO 101 CO 0.60 0.39 -0.13 0.93 -0.21 0.00 0.00 178.00 179.59 3abm h GLU 102 N 0.61 0.72 0.00 1.05 3.07 -1.92 -0.08 114.58 118.03 3abm h GLU 102 Ca 0.47 -0.30 -0.02 0.00 -0.50 0.00 0.00 59.36 59.02 3abm h GLU 102 Cb 0.88 -0.03 -0.00 0.00 -0.84 0.00 0.00 28.75 28.76 3abm h GLU 102 CO -0.22 0.90 -0.09 0.93 -1.40 0.00 0.00 179.01 179.13 3abm h GLU 103 N 0.51 0.00 -0.23 2.33 5.08 -1.64 -2.24 114.58 118.39 3abm h GLU 103 Ca 0.09 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 3abm h GLU 103 Cb 0.65 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.90 3abm h GLU 103 CO 0.04 0.09 0.00 1.28 -1.00 0.00 0.00 179.01 179.42 3abm n LEU 104 N -3.94 2.01 -0.55 1.33 4.77 -0.67 -4.95 117.00 114.98 3abm n LEU 104 Ca -0.02 -0.86 -0.07 0.00 -0.03 0.00 0.00 56.01 55.02 3abm n LEU 104 Cb 0.18 -0.15 -0.03 0.00 -2.33 0.00 0.00 43.42 41.09 3abm n LEU 104 CO 0.31 0.43 -0.07 0.61 -1.33 0.00 0.00 177.39 177.34 3abm n GLY 105 N 1.19 0.76 0.21 -0.72 0.00 -0.84 -4.91 105.19 100.88 3abm n GLY 105 Ca 0.16 -0.08 0.14 0.00 0.00 0.00 0.00 46.02 46.24 3abm n GLY 105 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3abm n LEU 106 N -0.82 0.72 -0.02 0.99 4.77 -0.07 -2.60 117.00 119.97 3abm n LEU 106 Ca -0.07 -0.18 0.14 0.00 -0.03 0.00 0.00 56.01 55.87 3abm n LEU 106 Cb 0.47 -0.07 0.66 0.00 -2.33 0.00 0.00 43.42 42.15 3abm n LEU 106 CO 0.11 0.13 0.94 -0.90 -1.33 0.00 0.00 177.39 176.34 3abm n ASP 107 N -0.57 0.11 -4.76 -1.43 3.85 -1.23 -4.91 116.55 107.61 3abm n ASP 107 Ca 0.18 -0.04 -0.40 0.00 -0.71 0.00 0.00 54.79 53.83 3abm n ASP 107 Cb 0.26 -0.28 -0.06 0.00 -1.35 0.00 0.00 41.12 39.70 3abm n ASP 107 CO 0.00 0.00 0.00 -0.54 -1.01 0.00 0.00 177.20 175.65 3abm s LYS 108 N -2.71 4.58 0.00 0.11 1.02 -1.07 -5.10 119.74 116.57 3abm s LYS 108 Ca 0.23 1.18 0.31 0.00 0.02 0.00 0.00 55.97 57.71 3abm s LYS 108 Cb 0.20 -3.31 1.73 0.00 -0.52 0.00 0.00 37.83 35.92 3abm s LYS 108 CO 0.50 0.44 2.13 1.33 -0.92 0.00 0.00 175.35 178.82