#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mop s TYR 4 N 0.00 3.24 0.12 0.00 1.51 -1.26 -1.49 117.35 119.47 3mop s TYR 4 Ca 0.00 0.01 -0.31 0.00 -1.01 0.00 0.00 57.07 55.76 3mop s TYR 4 Cb 0.00 -1.54 -0.11 0.00 -0.11 0.00 0.00 41.96 40.20 3mop s TYR 4 CO 0.00 0.52 1.51 0.82 -1.11 0.00 0.00 175.55 177.29 3mop h ILE 5 N 1.86 0.00 0.00 2.71 2.04 -1.29 -0.78 117.51 122.05 3mop h ILE 5 Ca -0.48 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.38 3mop h ILE 5 Cb 1.20 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 37.28 3mop h ILE 5 CO 0.64 0.00 0.00 0.00 0.00 0.00 0.00 178.15 178.79 3mop n TYR 6 N -5.20 0.00 -0.63 1.37 0.18 -1.26 -0.78 117.16 110.84 3mop n TYR 6 Ca -0.04 0.00 0.08 0.00 1.88 0.00 0.00 57.90 59.83 3mop n TYR 6 Cb 0.32 -0.10 0.36 0.00 -0.38 0.00 0.00 39.34 39.54 3mop n TYR 6 CO 0.00 0.00 0.00 1.04 -2.08 0.00 0.00 176.86 175.82 3mop n GLN 7 N -1.10 4.03 -2.53 -3.48 6.02 -0.30 -4.93 117.38 115.09 3mop n GLN 7 Ca 0.04 -2.87 -0.42 0.00 -0.01 0.00 0.00 57.00 53.74 3mop n GLN 7 Cb 0.03 -2.00 -0.03 0.00 1.02 0.00 0.00 30.24 29.26 3mop n GLN 7 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 3mop s LEU 8 N -2.08 4.37 0.31 1.08 1.43 0.04 -4.66 118.68 119.17 3mop s LEU 8 Ca 0.51 1.87 -0.29 0.00 -1.03 0.00 0.00 54.13 55.19 3mop s LEU 8 Cb 0.35 -3.57 -0.12 0.00 0.03 0.00 0.00 46.19 42.87 3mop s LEU 8 CO 0.21 -0.40 1.39 -0.81 0.23 0.00 0.00 176.35 176.97 3mop n PRO 9 N 3.98 2.23 0.27 1.29 -0.04 -1.26 -4.77 135.00 136.70 3mop n PRO 9 Ca 0.08 0.79 0.18 0.00 -0.04 0.00 0.00 63.50 64.51 3mop n PRO 9 Cb 0.48 -2.43 0.90 0.00 -0.04 0.00 0.00 33.50 32.41 3mop n PRO 9 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 3mop h SER 10 N 3.39 0.00 0.19 3.54 4.64 -1.99 -1.12 113.55 122.21 3mop h SER 10 Ca -0.46 0.00 -0.26 0.00 -0.47 0.00 0.00 61.79 60.60 3mop h SER 10 Cb 1.27 0.00 0.03 0.00 -0.31 0.00 0.00 62.40 63.39 3mop h SER 10 CO 0.69 0.00 -1.14 4.11 -0.87 0.00 0.00 176.83 179.62 3mop h TRP 11 N 0.00 0.75 -0.94 4.77 0.09 -1.98 -1.20 115.95 117.45 3mop h TRP 11 Ca 0.00 -0.55 0.07 0.00 0.09 0.00 0.00 58.89 58.50 3mop h TRP 11 Cb 0.18 -0.03 -0.06 0.00 0.08 0.00 0.00 29.16 29.33 3mop h TRP 11 CO 0.00 1.44 0.61 0.28 0.09 0.00 0.00 178.44 180.86 3mop h VAL 12 N -0.13 1.07 0.00 0.12 2.07 -1.59 0.59 116.25 118.38 3mop h VAL 12 Ca -0.20 -0.37 -0.14 0.00 0.82 0.00 0.00 66.70 66.81 3mop h VAL 12 Cb 1.89 -0.10 -0.02 0.00 -1.52 0.00 0.00 31.29 31.54 3mop h VAL 12 CO 0.21 0.20 -0.64 0.25 0.02 0.00 0.00 177.57 177.60 3mop h LEU 13 N 1.08 0.00 0.52 2.57 6.46 -1.48 -2.33 115.31 122.12 3mop h LEU 13 Ca 0.41 0.00 -0.03 0.00 -0.12 0.00 0.00 57.88 58.14 3mop h LEU 13 Cb 0.19 0.00 0.01 0.00 -0.73 0.00 0.00 40.66 40.13 3mop h LEU 13 CO -0.16 0.64 -0.25 -0.78 -0.62 0.00 0.00 178.44 177.28 3mop h ASP 14 N 0.00 -0.59 -0.48 1.25 3.58 0.49 0.32 116.42 121.00 3mop h ASP 14 Ca -0.01 -0.06 0.14 0.00 0.42 0.00 0.00 57.03 57.52 3mop h ASP 14 Cb 1.32 0.15 -0.02 0.00 1.72 0.00 0.00 39.33 42.51 3mop h ASP 14 CO 0.08 -0.25 0.36 0.44 -2.88 0.00 0.00 179.24 176.99 3mop h ASP 15 N -0.95 0.00 1.26 2.28 5.19 -0.02 0.44 116.42 124.62 3mop h ASP 15 Ca -0.07 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.34 3mop h ASP 15 Cb 0.61 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.12 3mop h ASP 15 CO 0.12 0.00 -0.60 0.25 -3.12 0.00 0.00 179.24 175.89 3mop h LEU 16 N 0.00 0.00 -1.57 1.55 6.46 -1.19 -3.12 115.31 117.44 3mop h LEU 16 Ca 0.23 -0.05 0.00 0.00 -0.12 0.00 0.00 57.88 57.94 3mop h LEU 16 Cb 0.94 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.87 3mop h LEU 16 CO -0.00 0.02 0.00 0.00 -0.62 0.00 0.00 178.44 177.84 3mop h ARG 18 N 3.08 0.29 0.00 0.00 3.08 -1.26 -3.34 114.38 116.23 3mop h ARG 18 Ca 0.00 -0.50 0.00 0.00 0.07 0.00 0.00 59.98 59.55 3mop h ARG 18 Cb 0.68 0.19 0.00 0.00 0.08 0.00 0.00 29.97 30.92 3mop h ARG 18 CO 0.00 1.21 0.00 0.09 -1.07 0.00 0.00 179.97 180.20 3mop n ASN 19 N -3.50 0.00 -0.17 7.04 5.03 -1.23 -3.70 115.26 118.73 3mop n ASN 19 Ca -0.28 0.00 0.15 0.00 0.87 0.00 0.00 54.58 55.32 3mop n ASN 19 Cb 1.06 0.00 0.29 0.00 -1.02 0.00 0.00 39.78 40.10 3mop n ASN 19 CO 0.00 0.00 0.00 0.23 -1.83 0.00 0.00 177.26 175.66 3mop n MET 20 N 0.00 -0.03 0.00 3.52 2.81 -1.25 -2.38 117.12 119.79 3mop n MET 20 Ca 0.00 0.73 0.00 0.00 -1.81 0.00 0.00 57.70 56.62 3mop n MET 20 Cb 0.00 -1.29 0.00 0.00 -0.71 0.00 0.00 33.22 31.22 3mop n MET 20 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 3mop n ASP 21 N -4.25 0.00 -4.57 7.83 2.03 -1.26 -3.58 116.55 112.75 3mop n ASP 21 Ca 0.19 0.00 -0.36 0.00 0.52 0.00 0.00 54.79 55.13 3mop n ASP 21 Cb 0.63 0.00 -0.03 0.00 -0.72 0.00 0.00 41.12 41.00 3mop n ASP 21 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3mop s ALA 22 N -2.60 2.50 -0.48 -1.67 0.00 -1.00 -4.74 121.76 113.76 3mop s ALA 22 Ca 0.00 -2.27 0.04 0.00 0.00 0.00 0.00 51.96 49.74 3mop s ALA 22 Cb 0.00 -4.59 0.19 0.00 0.00 0.00 0.00 23.12 18.72 3mop s ALA 22 CO 0.00 -4.07 0.79 -1.17 0.00 0.00 0.00 175.76 171.31 3mop s LEU 23 N 6.92 -1.24 -0.04 0.00 1.98 -1.24 -4.74 118.68 120.33 3mop s LEU 23 Ca 0.57 -1.41 -0.03 0.00 -2.89 0.00 0.00 54.13 50.37 3mop s LEU 23 Cb -0.00 1.62 0.01 0.00 0.66 0.00 0.00 46.19 48.47 3mop s LEU 23 CO 0.01 -0.05 0.06 -0.24 -1.89 0.00 0.00 176.35 174.24 3mop n SER 24 N 2.98 -4.38 0.17 3.68 2.88 -1.26 -2.99 113.62 114.70 3mop n SER 24 Ca 0.16 1.30 0.05 0.00 -1.33 0.00 0.00 58.87 59.05 3mop n SER 24 Cb 0.58 -3.32 0.26 0.00 -0.75 0.00 0.00 64.21 60.97 3mop n SER 24 CO 0.00 0.00 0.00 -0.08 -1.23 0.00 0.00 175.04 173.73 3mop h GLU 25 N 4.38 0.00 0.00 -1.46 4.81 -1.96 0.24 114.58 120.59 3mop h GLU 25 Ca -0.13 0.00 -0.39 0.00 -0.13 0.00 0.00 59.36 58.71 3mop h GLU 25 Cb 0.30 0.00 -0.07 0.00 0.63 0.00 0.00 28.75 29.61 3mop h GLU 25 CO 0.00 0.00 -2.44 1.87 -0.73 0.00 0.00 179.01 177.71 3mop n TRP 26 N -2.00 0.00 0.30 0.92 -0.00 -1.26 -3.19 117.44 112.21 3mop n TRP 26 Ca -0.01 0.00 0.16 0.00 -0.00 0.00 0.00 57.50 57.65 3mop n TRP 26 Cb 0.47 -0.97 0.94 0.00 -0.00 0.00 0.00 31.31 31.74 3mop n TRP 26 CO 0.00 0.00 0.00 0.22 -0.00 0.00 0.00 177.69 177.91 3mop h ASP 27 N -0.08 0.00 0.00 5.87 -0.00 -0.74 -2.35 116.42 119.12 3mop h ASP 27 Ca -0.57 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 56.46 3mop h ASP 27 Cb 1.85 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 41.18 3mop h ASP 27 CO -0.11 0.01 -0.02 -0.25 -0.00 0.00 0.00 179.24 178.87 3mop h TRP 28 N 0.00 0.00 -0.85 0.28 7.01 -1.13 -3.36 115.95 117.89 3mop h TRP 28 Ca -0.00 0.00 0.25 0.00 2.11 0.00 0.00 58.89 61.25 3mop h TRP 28 Cb 0.02 0.00 -0.03 0.00 -2.10 0.00 0.00 29.16 27.04 3mop h TRP 28 CO 0.00 0.00 0.67 1.98 -2.79 0.00 0.00 178.44 178.30 3mop h MET 29 N -0.64 0.00 -0.02 2.65 4.05 -1.40 0.83 114.93 120.40 3mop h MET 29 Ca 0.00 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.42 3mop h MET 29 Cb 0.02 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 30.82 3mop h MET 29 CO 0.00 0.00 -0.12 -1.91 0.23 0.00 0.00 176.91 175.11 3mop n GLU 30 N -4.08 1.85 0.09 0.39 4.07 -0.99 -1.52 120.64 120.45 3mop n GLU 30 Ca 0.18 -1.43 -0.23 0.00 -0.06 0.00 0.00 57.16 55.61 3mop n GLU 30 Cb 0.97 -1.47 -0.15 0.00 -0.06 0.00 0.00 31.44 30.73 3mop n GLU 30 CO 0.00 0.00 0.00 0.35 -0.06 0.00 0.00 177.13 177.42 3mop h PHE 31 N 3.50 0.78 0.82 4.31 -0.00 0.51 -3.23 116.94 123.63 3mop h PHE 31 Ca 0.00 -0.57 -0.04 0.00 -0.00 0.00 0.00 57.97 57.37 3mop h PHE 31 Cb 0.81 -0.03 0.00 0.00 -0.00 0.00 0.00 35.95 36.73 3mop h PHE 31 CO 0.00 1.55 -0.46 0.00 -0.00 0.00 0.00 178.31 179.40 3mop h ALA 32 N 0.10 -1.21 -0.04 2.41 0.00 -1.41 -1.59 119.26 117.52 3mop h ALA 32 Ca -0.27 -0.25 0.01 0.00 0.00 0.00 0.00 54.91 54.41 3mop h ALA 32 Cb 2.01 0.54 -0.00 0.00 0.00 0.00 0.00 17.79 20.34 3mop h ALA 32 CO 0.20 -1.19 0.38 1.03 0.00 0.00 0.00 179.25 179.67 3mop h SER 33 N -1.18 0.00 -0.57 0.00 0.87 -1.45 0.34 113.55 111.56 3mop h SER 33 Ca -0.11 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.45 3mop h SER 33 Cb 0.93 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.89 3mop h SER 33 CO 0.14 0.00 0.00 -1.22 -0.53 0.00 0.00 176.83 175.22 3mop n TYR 34 N -2.95 1.11 0.29 2.24 4.02 -0.64 -4.29 117.16 116.94 3mop n TYR 34 Ca -0.01 -0.59 0.01 0.00 -0.01 0.00 0.00 57.90 57.31 3mop n TYR 34 Cb 0.44 -0.15 0.14 0.00 -0.02 0.00 0.00 39.34 39.75 3mop n TYR 34 CO 0.00 0.00 0.00 1.55 -1.01 0.00 0.00 176.86 177.40 3mop n VAL 35 N 0.97 1.10 -1.04 -0.72 3.14 0.12 -4.82 118.33 117.08 3mop n VAL 35 Ca 0.22 -0.53 -0.01 0.00 -2.96 0.00 0.00 64.34 61.06 3mop n VAL 35 Cb 0.73 -0.46 -0.01 0.00 -1.06 0.00 0.00 33.84 33.04 3mop n VAL 35 CO 0.00 0.00 0.00 -0.38 -6.46 0.00 0.00 176.83 169.99 3mop n ILE 36 N 0.19 0.00 -0.39 1.55 2.08 -1.26 -5.02 119.36 116.51 3mop n ILE 36 Ca 0.11 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.42 3mop n ILE 36 Cb 0.64 -0.39 0.00 0.00 -0.75 0.00 0.00 39.64 39.13 3mop n ILE 36 CO 0.00 0.00 0.00 0.41 0.56 0.00 0.00 176.55 177.52 3mop n THR 37 N -2.80 0.00 -3.89 1.39 -1.04 -1.26 -5.13 114.28 101.54 3mop n THR 37 Ca -0.01 0.00 -0.09 0.00 -2.04 0.00 0.00 64.05 61.90 3mop n THR 37 Cb 0.12 -1.94 -0.06 0.00 -1.82 0.00 0.00 70.33 66.63 3mop n THR 37 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 3mop s ASP 38 N -1.00 -0.04 0.13 8.00 2.15 -1.26 -4.99 116.67 119.65 3mop s ASP 38 Ca 0.00 -0.74 -0.30 0.00 0.43 0.00 0.00 52.55 51.94 3mop s ASP 38 Cb 0.00 0.47 -0.07 0.00 -0.30 0.00 0.00 42.92 43.02 3mop s ASP 38 CO 0.00 -0.93 1.58 0.25 -0.17 0.00 0.00 175.17 175.90 3mop h LEU 39 N 2.46 -1.37 -0.27 -1.34 6.46 -2.00 -2.90 115.31 116.34 3mop h LEU 39 Ca -0.31 0.17 0.05 0.00 -0.12 0.00 0.00 57.88 57.68 3mop h LEU 39 Cb 1.24 0.55 -0.05 0.00 -0.73 0.00 0.00 40.66 41.67 3mop h LEU 39 CO 0.46 -0.45 -0.04 0.74 -0.62 0.00 0.00 178.44 178.53 3mop h THR 40 N -0.53 0.76 0.47 1.05 2.02 -2.01 -3.14 112.91 111.52 3mop h THR 40 Ca 0.06 -0.01 -0.01 0.00 0.77 0.00 0.00 66.41 67.22 3mop h THR 40 Cb 0.65 0.73 -0.01 0.00 -1.74 0.00 0.00 68.15 67.77 3mop h THR 40 CO -0.38 0.00 -0.37 1.56 0.37 0.00 0.00 175.52 176.71 3mop h GLN 41 N 0.03 -0.79 0.00 6.66 4.20 -1.95 -1.90 115.11 121.36 3mop h GLN 41 Ca 0.13 0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.89 3mop h GLN 41 Cb 0.19 0.18 0.00 0.00 0.30 0.00 0.00 27.48 28.15 3mop h GLN 41 CO -0.26 -0.53 0.06 -0.07 -0.67 0.00 0.00 178.83 177.36 3mop h LEU 42 N -0.83 0.00 -0.08 1.46 3.38 -1.51 -0.54 115.31 117.20 3mop h LEU 42 Ca -0.05 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.93 3mop h LEU 42 Cb 0.71 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.45 3mop h LEU 42 CO -0.00 0.00 0.02 0.03 0.09 0.00 0.00 178.44 178.58 3mop h ARG 43 N 0.00 0.06 0.00 1.13 2.47 -1.29 -1.08 114.38 115.67 3mop h ARG 43 Ca 0.00 -0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 3mop h ARG 43 Cb 0.11 -0.01 0.00 0.00 -1.65 0.00 0.00 29.97 28.42 3mop h ARG 43 CO 0.00 0.04 0.00 1.17 0.56 0.00 0.00 179.97 181.74 3mop n LYS 44 N -5.08 0.00 0.08 0.04 4.81 -0.23 -2.51 118.16 115.28 3mop n LYS 44 Ca -0.05 0.49 0.04 0.00 -0.87 0.00 0.00 58.31 57.91 3mop n LYS 44 Cb 0.05 -1.43 0.20 0.00 0.02 0.00 0.00 35.03 33.87 3mop n LYS 44 CO 0.00 0.00 0.00 1.51 1.17 0.00 0.00 177.40 180.08 3mop n ILE 45 N -1.90 1.00 0.02 3.15 3.06 -1.10 0.35 119.36 123.94 3mop n ILE 45 Ca 0.00 0.63 -0.22 0.00 -2.50 0.00 0.00 62.75 60.66 3mop n ILE 45 Cb 0.00 -1.63 -0.14 0.00 0.54 0.00 0.00 39.64 38.41 3mop n ILE 45 CO 0.00 0.00 0.00 0.50 -2.50 0.00 0.00 176.55 174.55 3mop h LYS 46 N 0.00 0.28 -1.04 9.51 1.63 -1.16 -3.36 116.57 122.44 3mop h LYS 46 Ca 0.00 -0.49 0.28 0.00 -0.85 0.00 0.00 60.65 59.60 3mop h LYS 46 Cb 0.42 0.18 -0.12 0.00 -0.60 0.00 0.00 32.23 32.11 3mop h LYS 46 CO 0.00 1.23 0.63 0.77 -3.45 0.00 0.00 179.45 178.63 3mop h SER 47 N 0.02 0.54 -0.08 4.20 0.02 0.21 0.08 113.55 118.54 3mop h SER 47 Ca -0.40 0.13 0.02 0.00 -0.84 0.00 0.00 61.79 60.71 3mop h SER 47 Cb 2.01 0.06 -0.00 0.00 0.14 0.00 0.00 62.40 64.61 3mop h SER 47 CO 0.10 0.02 0.13 0.24 -1.14 0.00 0.00 176.83 176.18 3mop h MET 48 N 0.43 0.00 -0.34 3.45 2.86 -1.69 -2.92 114.93 116.73 3mop h MET 48 Ca 0.67 0.00 0.01 0.00 -2.06 0.00 0.00 59.70 58.32 3mop h MET 48 Cb 1.51 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 33.15 3mop h MET 48 CO -0.45 0.00 0.19 1.49 1.06 0.00 0.00 176.91 179.20 3mop h GLU 49 N 0.00 0.39 -1.78 1.72 4.81 -1.19 -2.96 114.58 115.57 3mop h GLU 49 Ca 0.04 -0.02 -0.50 0.00 -0.13 0.00 0.00 59.36 58.74 3mop h GLU 49 Cb 0.30 -0.09 -0.19 0.00 0.63 0.00 0.00 28.75 29.40 3mop h GLU 49 CO -0.00 0.26 0.52 0.91 -0.73 0.00 0.00 179.01 179.97 3mop n TRP 50 N -4.90 1.90 -4.36 0.92 7.02 -1.10 -4.54 117.44 112.37 3mop n TRP 50 Ca -0.00 -2.10 -0.21 0.00 -1.02 0.00 0.00 57.50 54.17 3mop n TRP 50 Cb 0.05 -1.25 -0.13 0.00 -2.42 0.00 0.00 31.31 27.56 3mop n TRP 50 CO 0.00 0.00 0.00 0.08 -2.02 0.00 0.00 177.69 175.75 3mop s VAL 51 N -2.83 1.24 0.00 -0.99 1.01 -1.12 -5.03 120.40 112.68 3mop s VAL 51 Ca 0.51 -1.11 0.00 0.00 0.00 0.00 0.00 61.98 61.38 3mop s VAL 51 Cb 0.37 -1.12 0.00 0.00 0.00 0.00 0.00 36.38 35.62 3mop s VAL 51 CO -0.17 -0.00 0.00 1.67 0.00 0.00 0.00 175.10 176.60 3mop n GLN 52 N 1.74 0.00 -0.94 2.72 7.27 -1.26 -3.01 117.38 123.89 3mop n GLN 52 Ca -0.18 0.00 -0.01 0.00 0.07 0.00 0.00 57.00 56.87 3mop n GLN 52 Cb 0.54 0.00 0.00 0.00 2.41 0.00 0.00 30.24 33.19 3mop n GLN 52 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3mop n GLY 53 N 0.00 0.01 2.83 1.69 0.00 -1.26 -4.95 105.19 103.50 3mop n GLY 53 Ca 0.00 0.04 -0.29 0.00 0.00 0.00 0.00 46.02 45.78 3mop n GLY 53 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3mop s VAL 54 N -0.11 0.94 -0.61 1.61 1.01 -1.17 -5.07 120.40 117.01 3mop s VAL 54 Ca 0.01 -0.79 -0.31 0.00 0.00 0.00 0.00 61.98 60.89 3mop s VAL 54 Cb -0.00 -1.33 -0.14 0.00 0.00 0.00 0.00 36.38 34.92 3mop s VAL 54 CO 0.03 -0.13 2.43 -1.20 0.00 0.00 0.00 175.10 176.23 3mop n SER 55 N 4.90 1.57 0.31 3.32 7.64 -1.26 -4.58 113.62 125.51 3mop n SER 55 Ca -0.10 0.04 0.19 0.00 1.01 0.00 0.00 58.87 60.01 3mop n SER 55 Cb 0.46 -1.25 1.03 0.00 -1.01 0.00 0.00 64.21 63.44 3mop n SER 55 CO 0.00 0.00 0.00 -0.29 -3.01 0.00 0.00 175.04 171.74 3mop h ILE 56 N 7.58 0.18 0.08 0.44 6.09 -1.90 0.36 117.51 130.34 3mop h ILE 56 Ca -0.19 0.00 -0.28 0.00 -1.37 0.00 0.00 64.86 63.03 3mop h ILE 56 Cb 1.30 0.91 -0.02 0.00 0.47 0.00 0.00 36.82 39.49 3mop h ILE 56 CO 1.19 0.00 -1.40 0.00 -3.07 0.00 0.00 178.15 174.86 3mop h THR 57 N 0.00 1.28 -0.07 2.19 1.03 -1.90 -1.42 112.91 114.01 3mop h THR 57 Ca 0.02 -2.96 0.03 0.00 -0.01 0.00 0.00 66.41 63.49 3mop h THR 57 Cb 0.22 2.76 -0.06 0.00 -1.07 0.00 0.00 68.15 69.99 3mop h THR 57 CO -0.00 0.82 -0.53 -0.09 -0.01 0.00 0.00 175.52 175.70 3mop h ARG 58 N 0.04 -0.59 -0.11 0.00 1.12 -0.77 0.87 114.38 114.95 3mop h ARG 58 Ca -0.18 0.04 -0.08 0.00 -1.11 0.00 0.00 59.98 58.64 3mop h ARG 58 Cb 1.95 0.13 -0.01 0.00 -0.01 0.00 0.00 29.97 32.04 3mop h ARG 58 CO 0.15 -0.40 -0.31 0.93 -3.11 0.00 0.00 179.97 177.23 3mop h GLU 59 N -0.62 0.22 -0.35 0.20 3.07 -0.91 0.20 114.58 116.39 3mop h GLU 59 Ca 0.02 -0.08 -0.16 0.00 -0.50 0.00 0.00 59.36 58.64 3mop h GLU 59 Cb 0.69 -0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 28.58 3mop h GLU 59 CO -0.40 0.51 -0.41 1.25 -1.40 0.00 0.00 179.01 178.56 3mop h LEU 60 N 0.19 0.94 0.32 1.33 5.85 -0.89 -1.94 115.31 121.11 3mop h LEU 60 Ca 0.03 -0.44 -0.02 0.00 0.84 0.00 0.00 57.88 58.29 3mop h LEU 60 Cb 0.65 -0.26 0.00 0.00 0.37 0.00 0.00 40.66 41.42 3mop h LEU 60 CO 0.05 1.22 -0.15 -0.07 -0.34 0.00 0.00 178.44 179.15 3mop h LEU 61 N 0.71 -0.36 -0.96 2.25 4.07 0.11 -1.97 115.31 119.16 3mop h LEU 61 Ca 0.05 -0.16 0.06 0.00 0.08 0.00 0.00 57.88 57.91 3mop h LEU 61 Cb 1.00 0.09 -0.06 0.00 1.08 0.00 0.00 40.66 42.77 3mop h LEU 61 CO 0.10 -0.01 0.62 -0.25 -1.08 0.00 0.00 178.44 177.81 3mop h TRP 62 N -0.75 1.14 0.00 1.13 7.01 -0.69 0.20 115.95 123.98 3mop h TRP 62 Ca -0.04 0.03 -0.05 0.00 2.11 0.00 0.00 58.89 60.94 3mop h TRP 62 Cb 0.50 -0.37 -0.01 0.00 -2.10 0.00 0.00 29.16 27.18 3mop h TRP 62 CO 0.02 0.60 -0.23 2.35 -2.79 0.00 0.00 178.44 178.38 3mop h TRP 63 N 1.13 0.00 0.00 2.65 2.91 -1.34 0.12 115.95 121.42 3mop h TRP 63 Ca 0.41 0.00 -0.14 0.00 1.13 0.00 0.00 58.89 60.29 3mop h TRP 63 Cb 0.15 0.00 -0.02 0.00 -0.51 0.00 0.00 29.16 28.78 3mop h TRP 63 CO -0.01 0.23 -0.68 2.35 -1.03 0.00 0.00 178.44 179.30 3mop h TRP 64 N 0.00 0.00 0.71 2.65 7.01 -0.49 -3.28 115.95 122.55 3mop h TRP 64 Ca -0.00 0.00 -0.03 0.00 2.11 0.00 0.00 58.89 60.97 3mop h TRP 64 Cb 0.52 0.00 -0.01 0.00 -2.10 0.00 0.00 29.16 27.57 3mop h TRP 64 CO 0.00 0.65 -0.50 0.78 -2.79 0.00 0.00 178.44 176.58 3mop h GLY 65 N 3.36 -1.34 -0.39 2.65 0.00 0.15 -2.26 103.07 105.24 3mop h GLY 65 Ca -0.01 0.57 0.21 0.00 0.00 0.00 0.00 47.33 48.09 3mop h GLY 65 CO 0.08 -0.43 0.99 1.98 0.00 0.00 0.00 176.54 179.16 3mop h MET 66 N -1.16 0.00 -0.62 4.80 1.85 -0.93 0.23 114.93 119.10 3mop h MET 66 Ca -0.09 0.00 -0.33 0.00 -0.61 0.00 0.00 59.70 58.67 3mop h MET 66 Cb 0.95 0.00 -0.19 0.00 0.43 0.00 0.00 31.60 32.79 3mop h MET 66 CO 0.05 0.00 0.22 0.54 -0.40 0.00 0.00 176.91 177.33 3mop n ARG 67 N -3.21 2.01 -2.13 0.39 3.00 -0.89 -4.94 116.66 110.88 3mop n ARG 67 Ca 0.16 -3.12 -0.15 0.00 -0.01 0.00 0.00 57.85 54.73 3mop n ARG 67 Cb 1.22 -1.97 -0.02 0.00 0.00 0.00 0.00 32.46 31.69 3mop n ARG 67 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.63 178.57 3mop n GLN 68 N -1.14 -1.14 -1.99 5.56 -0.06 0.83 -4.96 117.38 114.48 3mop n GLN 68 Ca 0.45 0.76 -0.41 0.00 -2.00 0.00 0.00 57.00 55.79 3mop n GLN 68 Cb 1.31 -5.04 -0.02 0.00 -4.06 0.00 0.00 30.24 22.42 3mop n GLN 68 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 3mop s ALA 69 N -2.70 3.63 1.00 1.69 0.00 -1.00 -5.00 121.76 119.39 3mop s ALA 69 Ca 0.00 1.36 0.00 0.00 0.00 0.00 0.00 51.96 53.32 3mop s ALA 69 Cb 0.00 -3.56 0.00 0.00 0.00 0.00 0.00 23.12 19.56 3mop s ALA 69 CO 0.00 -0.77 0.00 -2.37 0.00 0.00 0.00 175.76 172.62 3mop n THR 70 N 2.14 0.00 -0.01 0.00 5.66 -1.26 -2.42 114.28 118.39 3mop n THR 70 Ca 0.06 0.00 0.01 0.00 -3.05 0.00 0.00 64.05 61.07 3mop n THR 70 Cb 0.40 -1.30 -0.04 0.00 -1.55 0.00 0.00 70.33 67.84 3mop n THR 70 CO 0.00 0.00 0.00 0.55 -3.05 0.00 0.00 175.07 172.57 3mop n VAL 71 N -0.34 0.09 0.64 1.08 3.14 -0.56 -2.76 118.33 119.61 3mop n VAL 71 Ca 0.00 -0.13 0.10 0.00 -2.96 0.00 0.00 64.34 61.35 3mop n VAL 71 Cb 0.00 0.04 0.43 0.00 -1.06 0.00 0.00 33.84 33.25 3mop n VAL 71 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 3mop n GLN 72 N -1.81 0.05 0.06 1.45 1.13 -1.26 -1.75 117.38 115.25 3mop n GLN 72 Ca -0.03 0.20 0.11 0.00 -1.94 0.00 0.00 57.00 55.34 3mop n GLN 72 Cb 0.27 -1.58 -0.06 0.00 0.11 0.00 0.00 30.24 28.98 3mop n GLN 72 CO 0.00 0.00 0.00 1.04 -1.44 0.00 0.00 177.06 176.66 3mop n GLN 73 N -1.66 0.62 0.06 -1.09 6.02 -1.26 -1.82 117.38 118.25 3mop n GLN 73 Ca 0.04 0.02 -0.21 0.00 -0.01 0.00 0.00 57.00 56.85 3mop n GLN 73 Cb 0.25 -1.72 -0.14 0.00 1.02 0.00 0.00 30.24 29.64 3mop n GLN 73 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 177.06 177.30 3mop h LEU 74 N 0.00 0.55 -0.16 1.08 7.12 -1.65 -2.90 115.31 119.34 3mop h LEU 74 Ca -0.01 -0.92 -0.01 0.00 0.13 0.00 0.00 57.88 57.06 3mop h LEU 74 Cb 1.04 -0.18 -0.01 0.00 -0.53 0.00 0.00 40.66 40.98 3mop h LEU 74 CO 0.00 1.43 0.05 0.58 -0.13 0.00 0.00 178.44 180.37 3mop h VAL 75 N -0.24 1.19 -0.75 1.05 2.07 -1.45 -2.11 116.25 116.02 3mop h VAL 75 Ca -0.15 -0.61 0.07 0.00 0.82 0.00 0.00 66.70 66.83 3mop h VAL 75 Cb 1.70 1.29 -0.10 0.00 -1.52 0.00 0.00 31.29 32.66 3mop h VAL 75 CO 0.17 0.19 -0.56 0.44 0.02 0.00 0.00 177.57 177.83 3mop h ASP 76 N 0.08 -1.99 -0.11 0.57 5.19 -1.48 -0.15 116.42 118.54 3mop h ASP 76 Ca 0.05 0.29 0.00 0.00 -0.62 0.00 0.00 57.03 56.75 3mop h ASP 76 Cb 0.25 0.86 0.00 0.00 0.18 0.00 0.00 39.33 40.61 3mop h ASP 76 CO -0.00 -0.29 0.00 0.18 -3.12 0.00 0.00 179.24 176.01 3mop n LEU 77 N -5.22 1.26 -0.40 1.55 4.32 -1.09 -1.87 117.00 115.54 3mop n LEU 77 Ca -0.00 -0.63 0.09 0.00 -0.02 0.00 0.00 56.01 55.44 3mop n LEU 77 Cb 0.28 -0.32 -0.00 0.00 -1.62 0.00 0.00 43.42 41.76 3mop n LEU 77 CO -0.09 0.24 0.27 0.18 -1.22 0.00 0.00 177.39 176.77 3mop n LEU 78 N -0.01 1.73 -0.05 2.23 4.77 -0.08 -4.20 117.00 121.38 3mop n LEU 78 Ca 0.04 -0.76 -0.11 0.00 -0.03 0.00 0.00 56.01 55.15 3mop n LEU 78 Cb 0.26 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.32 3mop n LEU 78 CO 0.04 0.33 -0.78 0.00 -1.33 0.00 0.00 177.39 175.65 3mop n ARG 80 N -3.60 0.15 0.00 0.00 0.63 -0.78 0.33 116.66 113.39 3mop n ARG 80 Ca -0.19 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.74 3mop n ARG 80 Cb 0.57 -1.01 0.00 0.00 0.45 0.00 0.00 32.46 32.48 3mop n ARG 80 CO 0.00 0.00 0.00 -0.11 -2.51 0.00 0.00 177.63 175.01 3mop n LEU 81 N -0.41 0.29 -0.24 6.15 -0.00 -1.26 -5.01 117.00 116.53 3mop n LEU 81 Ca 0.00 -0.29 -0.03 0.00 -0.00 0.00 0.00 56.01 55.69 3mop n LEU 81 Cb 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 43.42 43.41 3mop n LEU 81 CO 0.00 0.07 -0.03 -0.62 -0.00 0.00 0.00 177.39 176.81 3mop n GLU 82 N -0.02 -0.66 -2.46 1.96 1.02 0.15 -4.90 120.64 115.73 3mop n GLU 82 Ca 0.00 0.42 -0.41 0.00 -0.02 0.00 0.00 57.16 57.15 3mop n GLU 82 Cb 0.22 -4.09 0.02 0.00 -0.02 0.00 0.00 31.44 27.58 3mop n GLU 82 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 3mop n LEU 83 N -0.35 7.42 -0.15 -4.62 4.77 -1.06 -4.71 117.00 118.30 3mop n LEU 83 Ca -0.03 -5.25 0.01 0.00 -0.03 0.00 0.00 56.01 50.71 3mop n LEU 83 Cb 0.21 -1.16 0.27 0.00 -2.33 0.00 0.00 43.42 40.42 3mop n LEU 83 CO 0.05 1.99 1.16 1.88 -1.33 0.00 0.00 177.39 181.14 3mop h TYR 84 N 3.97 0.83 -1.60 -1.77 -1.99 -1.86 -2.66 116.97 111.89 3mop h TYR 84 Ca 0.55 -0.00 0.47 0.00 2.00 0.00 0.00 58.73 61.75 3mop h TYR 84 Cb 0.26 -0.27 -0.07 0.00 2.00 0.00 0.00 36.73 38.65 3mop h TYR 84 CO 1.32 0.56 1.14 -2.13 -0.00 0.00 0.00 178.16 179.05 3mop n ARG 85 N -4.40 -0.00 -0.08 4.88 0.63 -1.26 -1.67 116.66 114.75 3mop n ARG 85 Ca 0.06 0.93 -0.08 0.00 -0.92 0.00 0.00 57.85 57.84 3mop n ARG 85 Cb 0.08 -2.10 -0.03 0.00 0.45 0.00 0.00 32.46 30.87 3mop n ARG 85 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3mop n ALA 86 N -2.74 0.62 0.10 5.13 0.00 -1.00 -4.29 120.51 118.33 3mop n ALA 86 Ca 0.37 -0.56 0.05 0.00 0.00 0.00 0.00 53.44 53.30 3mop n ALA 86 Cb 1.65 -0.01 0.27 0.00 0.00 0.00 0.00 19.45 21.36 3mop n ALA 86 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3mop n ALA 87 N -3.89 0.73 0.29 0.00 0.00 -0.72 -0.28 120.51 116.64 3mop n ALA 87 Ca -0.12 0.09 0.15 0.00 0.00 0.00 0.00 53.44 53.56 3mop n ALA 87 Cb 0.39 -0.86 0.87 0.00 0.00 0.00 0.00 19.45 19.84 3mop n ALA 87 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 3mop h GLN 88 N 0.00 0.00 0.15 0.00 1.08 -1.50 -2.08 115.11 112.76 3mop h GLN 88 Ca 0.00 0.00 -0.35 0.00 -1.45 0.00 0.00 58.65 56.85 3mop h GLN 88 Cb 0.38 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.80 3mop h GLN 88 CO 0.00 0.05 -1.81 0.82 -0.95 0.00 0.00 178.83 176.94 3mop h ILE 89 N 0.00 0.85 -0.06 2.54 2.04 -0.91 -3.32 117.51 118.66 3mop h ILE 89 Ca -0.00 -2.50 0.00 0.00 1.00 0.00 0.00 64.86 63.36 3mop h ILE 89 Cb 0.15 2.66 0.00 0.00 -0.74 0.00 0.00 36.82 38.89 3mop h ILE 89 CO 0.01 0.85 0.00 -0.38 0.00 0.00 0.00 178.15 178.63 3mop n ILE 90 N -3.52 0.17 0.14 -0.67 5.41 -0.91 -1.32 119.36 118.66 3mop n ILE 90 Ca -0.26 -0.10 0.02 0.00 1.00 0.00 0.00 62.75 63.41 3mop n ILE 90 Cb 1.06 -0.23 -0.03 0.00 -0.71 0.00 0.00 39.64 39.73 3mop n ILE 90 CO 0.00 0.00 0.00 0.18 0.00 0.00 0.00 176.55 176.73 3mop n LEU 91 N -0.12 0.14 -1.25 1.39 7.99 -0.83 -4.10 117.00 120.22 3mop n LEU 91 Ca 0.02 -0.37 0.00 0.00 -0.01 0.00 0.00 56.01 55.65 3mop n LEU 91 Cb 0.20 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.51 3mop n LEU 91 CO 0.02 0.04 0.60 0.59 -1.51 0.00 0.00 177.39 177.13 3mop n ASN 92 N -1.24 3.36 0.00 -1.43 5.03 -0.43 -3.59 115.26 116.95 3mop n ASN 92 Ca 0.00 -1.89 0.00 0.00 0.87 0.00 0.00 54.58 53.56 3mop n ASN 92 Cb 0.08 -0.65 0.00 0.00 -1.02 0.00 0.00 39.78 38.19 3mop n ASN 92 CO 0.00 0.00 0.00 1.87 -1.83 0.00 0.00 177.26 177.30 3mop n TRP 93 N 1.02 -1.75 -0.34 3.10 -0.00 -1.26 -5.07 117.44 113.14 3mop n TRP 93 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.50 3mop n TRP 93 Cb 0.42 0.43 0.00 0.00 -0.00 0.00 0.00 31.31 32.15 3mop n TRP 93 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 177.69 179.32