#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 3.13 0.13 0.00 1.51 -1.26 -1.48 117.35 119.39 3mop s TYR 4 Ca 0.00 -0.06 -0.30 0.00 -1.01 0.00 0.00 57.07 55.71 3mop s TYR 4 Cb 0.00 -1.47 -0.06 0.00 -0.11 0.00 0.00 41.96 40.33 3mop s TYR 4 CO 0.00 0.52 1.57 0.82 -1.11 0.00 0.00 175.55 177.35 3mop h ILE 5 N 1.82 0.10 0.00 2.71 2.04 -1.18 -0.91 117.51 122.10 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 1.22 0.10 0.00 0.00 -0.74 0.00 0.00 36.82 37.40 3mop h ILE 5 CO 0.62 0.00 0.00 0.00 0.00 0.00 0.00 178.15 178.77 3mop n TYR 6 N -5.43 0.00 0.07 1.37 0.18 -1.26 -0.70 117.16 111.39 3mop n TYR 6 Ca -0.04 0.00 0.08 0.00 1.88 0.00 0.00 57.90 59.82 3mop n TYR 6 Cb 0.36 -0.23 0.26 0.00 -0.38 0.00 0.00 39.34 39.36 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 -1.23 2.71 -2.83 -3.48 6.02 -0.34 -4.91 117.38 113.31 3mop n GLN 7 Ca 0.03 -2.08 -0.41 0.00 -0.01 0.00 0.00 57.00 54.53 3mop n GLN 7 Cb 0.04 -1.60 -0.04 0.00 1.02 0.00 0.00 30.24 29.67 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 -1.28 4.29 0.25 1.08 2.01 0.12 -4.69 118.68 120.47 3mop s LEU 8 Ca 0.38 1.42 -0.30 0.00 0.01 0.00 0.00 54.13 55.64 3mop s LEU 8 Cb 0.22 -3.38 -0.14 0.00 0.01 0.00 0.00 46.19 42.91 3mop s LEU 8 CO 0.22 -0.29 1.17 -2.65 1.01 0.00 0.00 176.35 175.81 3mop n PRO 9 N 4.34 1.53 0.17 1.29 -0.02 -1.26 -4.75 135.00 136.30 3mop n PRO 9 Ca 0.04 0.54 0.13 0.00 -2.02 0.00 0.00 63.50 62.20 3mop n PRO 9 Cb 0.50 -2.03 0.58 0.00 -0.02 0.00 0.00 33.50 32.53 3mop n PRO 9 CO 0.00 0.00 0.00 0.77 1.98 0.00 0.00 175.50 178.25 3mop h SER 10 N 2.93 0.00 0.18 2.55 0.02 -1.99 -1.60 113.55 115.65 3mop h SER 10 Ca -0.42 0.00 -0.25 0.00 -0.84 0.00 0.00 61.79 60.28 3mop h SER 10 Cb 1.32 0.00 0.03 0.00 0.14 0.00 0.00 62.40 63.89 3mop h SER 10 CO 0.67 0.00 -1.08 4.11 -1.14 0.00 0.00 176.83 179.38 3mop h TRP 11 N 0.00 0.71 -0.78 3.45 0.09 -1.97 -0.42 115.95 117.03 3mop h TRP 11 Ca 0.00 -0.52 0.07 0.00 0.09 0.00 0.00 58.89 58.53 3mop h TRP 11 Cb 0.32 -0.03 -0.05 0.00 0.08 0.00 0.00 29.16 29.48 3mop h TRP 11 CO 0.00 1.41 0.51 0.28 0.09 0.00 0.00 178.44 180.74 3mop h VAL 12 N -0.18 1.02 -0.01 0.12 2.07 -1.68 0.53 116.25 118.13 3mop h VAL 12 Ca -0.19 -0.28 -0.19 0.00 0.82 0.00 0.00 66.70 66.85 3mop h VAL 12 Cb 1.85 0.13 -0.01 0.00 -1.52 0.00 0.00 31.29 31.74 3mop h VAL 12 CO 0.20 0.15 -0.84 0.25 0.02 0.00 0.00 177.57 177.35 3mop h LEU 13 N 0.82 0.31 0.74 2.57 7.12 -1.47 -2.67 115.31 122.73 3mop h LEU 13 Ca 0.34 -0.24 -0.03 0.00 0.13 0.00 0.00 57.88 58.08 3mop h LEU 13 Cb 0.27 -0.09 -0.00 0.00 -0.53 0.00 0.00 40.66 40.30 3mop h LEU 13 CO -0.12 1.02 -0.44 -0.78 -0.13 0.00 0.00 178.44 177.99 3mop h ASP 14 N 0.15 -1.11 -0.71 1.25 1.82 0.11 0.27 116.42 118.19 3mop h ASP 14 Ca -0.04 0.06 0.17 0.00 -0.39 0.00 0.00 57.03 56.82 3mop h ASP 14 Cb 1.45 0.32 -0.04 0.00 0.68 0.00 0.00 39.33 41.74 3mop h ASP 14 CO 0.13 -0.69 0.49 0.44 -1.61 0.00 0.00 179.24 178.00 3mop h ASP 15 N -1.10 0.23 0.71 2.28 5.19 -0.17 -0.18 116.42 123.38 3mop h ASP 15 Ca -0.10 0.01 0.00 0.00 -0.62 0.00 0.00 57.03 56.33 3mop h ASP 15 Cb 0.88 -0.03 0.00 0.00 0.18 0.00 0.00 39.33 40.36 3mop h ASP 15 CO 0.11 0.11 -0.64 -0.11 -3.12 0.00 0.00 179.24 175.60 3mop n LEU 16 N -4.43 0.62 -0.80 1.55 0.00 -1.01 -2.93 117.00 110.01 3mop n LEU 16 Ca 0.14 0.14 0.10 0.00 0.00 0.00 0.00 56.01 56.39 3mop n LEU 16 Cb 0.62 -0.19 0.28 0.00 0.00 0.00 0.00 43.42 44.12 3mop n LEU 16 CO 0.34 0.01 0.72 0.00 0.00 0.00 0.00 177.39 178.47 3mop h ARG 18 N 2.92 0.29 0.00 0.00 2.47 -1.21 -3.35 114.38 115.50 3mop h ARG 18 Ca 0.00 -0.50 0.00 0.00 -1.26 0.00 0.00 59.98 58.22 3mop h ARG 18 Cb 0.65 0.19 0.00 0.00 -1.65 0.00 0.00 29.97 29.16 3mop h ARG 18 CO 0.00 1.23 0.00 0.09 0.56 0.00 0.00 179.97 181.85 3mop n ASN 19 N -3.50 0.00 -0.08 7.04 5.03 -1.22 -3.74 115.26 118.78 3mop n ASN 19 Ca -0.30 0.00 0.06 0.00 0.87 0.00 0.00 54.58 55.21 3mop n ASN 19 Cb 1.06 0.00 0.11 0.00 -1.02 0.00 0.00 39.78 39.93 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 -0.02 0.00 3.52 2.81 -1.24 -2.18 117.12 120.01 3mop n MET 20 Ca 0.00 0.37 0.00 0.00 -1.81 0.00 0.00 57.70 56.26 3mop n MET 20 Cb 0.00 -0.62 0.00 0.00 -0.71 0.00 0.00 33.22 31.89 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 -3.86 0.00 -4.57 7.83 4.64 -1.26 -3.63 116.55 115.70 3mop n ASP 21 Ca 0.08 0.00 -0.38 0.00 -1.38 0.00 0.00 54.79 53.10 3mop n ASP 21 Cb 0.26 0.00 -0.02 0.00 -1.04 0.00 0.00 41.12 40.32 3mop n ASP 21 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 3mop s ALA 22 N -2.52 2.71 -0.43 -1.67 0.00 -0.93 -4.74 121.76 114.17 3mop s ALA 22 Ca 0.00 -2.42 0.05 0.00 0.00 0.00 0.00 51.96 49.60 3mop s ALA 22 Cb 0.00 -4.60 0.19 0.00 0.00 0.00 0.00 23.12 18.71 3mop s ALA 22 CO 0.00 -3.85 0.73 -0.51 0.00 0.00 0.00 175.76 172.13 3mop s LEU 23 N 6.09 -1.33 -0.04 0.00 1.43 -1.24 -4.76 118.68 118.83 3mop s LEU 23 Ca 0.55 -1.02 -0.03 0.00 -1.03 0.00 0.00 54.13 52.60 3mop s LEU 23 Cb 0.01 1.71 0.01 0.00 0.03 0.00 0.00 46.19 47.95 3mop s LEU 23 CO 0.01 -0.11 0.06 -1.20 0.23 0.00 0.00 176.35 175.34 3mop n SER 24 N 3.76 -4.37 0.17 2.29 7.64 -1.26 -2.87 113.62 118.97 3mop n SER 24 Ca 0.13 1.29 0.04 0.00 1.01 0.00 0.00 58.87 61.34 3mop n SER 24 Cb 0.58 -3.32 0.22 0.00 -1.01 0.00 0.00 64.21 60.67 3mop n SER 24 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 3mop n GLU 25 N 2.04 0.06 -0.13 1.43 2.13 -1.26 -0.67 120.64 124.24 3mop n GLU 25 Ca -0.10 0.53 -0.27 0.00 0.66 0.00 0.00 57.16 57.98 3mop n GLU 25 Cb 0.16 -2.17 -0.11 0.00 0.27 0.00 0.00 31.44 29.59 3mop n GLU 25 CO 0.00 0.00 0.00 0.91 -0.41 0.00 0.00 177.13 177.63 3mop n TRP 26 N -1.93 0.29 0.21 4.31 8.01 -1.26 -3.29 117.44 123.78 3mop n TRP 26 Ca -0.01 0.12 0.12 0.00 -1.31 0.00 0.00 57.50 56.43 3mop n TRP 26 Cb 0.50 -1.03 0.70 0.00 -2.01 0.00 0.00 31.31 29.47 3mop n TRP 26 CO 0.00 0.00 0.00 -0.44 -1.01 0.00 0.00 177.69 176.24 3mop h ASP 27 N -0.94 0.00 0.00 -0.99 3.32 -1.07 -2.60 116.42 114.14 3mop h ASP 27 Ca -0.60 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 56.43 3mop h ASP 27 Cb 1.55 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 41.10 3mop h ASP 27 CO -0.35 0.00 -0.16 -0.25 -1.72 0.00 0.00 179.24 176.76 3mop h TRP 28 N 0.00 0.00 -0.02 4.55 7.01 -1.07 -3.37 115.95 123.05 3mop h TRP 28 Ca 0.06 0.00 0.01 0.00 2.11 0.00 0.00 58.89 61.06 3mop h TRP 28 Cb 0.25 0.00 -0.00 0.00 -2.10 0.00 0.00 29.16 27.31 3mop h TRP 28 CO 0.00 0.36 0.12 1.98 -2.79 0.00 0.00 178.44 178.11 3mop h MET 29 N -1.00 0.00 0.00 2.65 4.05 -1.47 0.92 114.93 120.07 3mop h MET 29 Ca -0.02 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.40 3mop h MET 29 Cb 0.41 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.21 3mop h MET 29 CO -0.01 0.00 -0.45 -0.85 0.23 0.00 0.00 176.91 175.82 3mop n GLU 30 N -3.12 0.17 0.06 0.39 0.28 -1.01 -1.70 120.64 115.71 3mop n GLU 30 Ca -0.02 0.06 -0.22 0.00 -0.16 0.00 0.00 57.16 56.82 3mop n GLU 30 Cb 0.19 -1.62 -0.15 0.00 1.43 0.00 0.00 31.44 31.29 3mop n GLU 30 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 177.13 177.32 3mop h PHE 31 N 0.00 0.63 0.80 -1.84 3.57 0.68 -3.21 116.94 117.57 3mop h PHE 31 Ca 0.00 -0.46 -0.04 0.00 3.53 0.00 0.00 57.97 61.00 3mop h PHE 31 Cb 0.65 -0.03 0.00 0.00 2.79 0.00 0.00 35.95 39.36 3mop h PHE 31 CO 0.00 1.51 -0.45 0.00 -2.23 0.00 0.00 178.31 177.14 3mop h ALA 32 N 0.06 -1.28 -0.09 2.41 0.00 -1.36 -2.39 119.26 116.61 3mop h ALA 32 Ca -0.26 -0.25 0.03 0.00 0.00 0.00 0.00 54.91 54.43 3mop h ALA 32 Cb 1.87 0.54 -0.00 0.00 0.00 0.00 0.00 17.79 20.20 3mop h ALA 32 CO 0.15 -1.22 0.39 0.66 0.00 0.00 0.00 179.25 179.23 3mop h SER 33 N -1.16 0.00 -0.33 0.00 4.64 -1.50 0.40 113.55 115.60 3mop h SER 33 Ca -0.11 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.21 3mop h SER 33 Cb 0.92 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.01 3mop h SER 33 CO 0.14 0.00 0.00 -1.22 -0.87 0.00 0.00 176.83 174.88 3mop n TYR 34 N -3.04 0.42 -0.46 4.77 4.02 -0.93 -4.22 117.16 117.73 3mop n TYR 34 Ca 0.00 -0.21 -0.08 0.00 -0.01 0.00 0.00 57.90 57.60 3mop n TYR 34 Cb 0.46 0.00 0.19 0.00 -0.02 0.00 0.00 39.34 39.97 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 1.00 2.29 -1.08 -0.72 3.14 0.14 -4.83 118.33 118.27 3mop n VAL 35 Ca 0.18 -1.19 -0.03 0.00 -2.96 0.00 0.00 64.34 60.35 3mop n VAL 35 Cb 0.48 -0.51 -0.01 0.00 -1.06 0.00 0.00 33.84 32.74 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 -0.44 1.55 5.41 -1.26 -5.02 119.36 119.41 3mop n ILE 36 Ca 0.32 0.00 0.00 0.00 1.00 0.00 0.00 62.75 64.07 3mop n ILE 36 Cb 1.15 -0.57 0.00 0.00 -0.71 0.00 0.00 39.64 39.51 3mop n ILE 36 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 176.55 176.90 3mop n THR 37 N -2.76 0.00 -3.96 1.39 -2.24 -1.26 -5.13 114.28 100.32 3mop n THR 37 Ca -0.03 0.00 -0.10 0.00 -2.27 0.00 0.00 64.05 61.66 3mop n THR 37 Cb 0.17 -1.84 -0.06 0.00 -2.10 0.00 0.00 70.33 66.50 3mop n THR 37 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 3mop s ASP 38 N -1.00 -0.05 0.12 3.42 3.84 -1.26 -4.99 116.67 116.75 3mop s ASP 38 Ca 0.00 -0.87 -0.30 0.00 -0.00 0.00 0.00 52.55 51.38 3mop s ASP 38 Cb 0.00 0.51 -0.09 0.00 -1.38 0.00 0.00 42.92 41.96 3mop s ASP 38 CO 0.00 -1.01 1.59 0.25 -0.00 0.00 0.00 175.17 176.00 3mop h LEU 39 N 2.39 -1.23 -0.70 2.11 6.46 -2.00 -2.89 115.31 119.45 3mop h LEU 39 Ca -0.29 0.14 -0.02 0.00 -0.12 0.00 0.00 57.88 57.59 3mop h LEU 39 Cb 1.24 0.47 -0.03 0.00 -0.73 0.00 0.00 40.66 41.62 3mop h LEU 39 CO 0.42 -0.47 0.34 0.74 -0.62 0.00 0.00 178.44 178.86 3mop h THR 40 N -0.61 1.23 0.35 1.05 2.02 -2.01 -3.12 112.91 111.81 3mop h THR 40 Ca 0.04 -0.63 -0.00 0.00 0.77 0.00 0.00 66.41 66.58 3mop h THR 40 Cb 0.66 0.36 -0.02 0.00 -1.74 0.00 0.00 68.15 67.41 3mop h THR 40 CO -0.28 0.26 -0.31 1.56 0.37 0.00 0.00 175.52 177.13 3mop h GLN 41 N 0.97 -0.65 -0.47 6.66 1.08 -1.95 -1.92 115.11 118.83 3mop h GLN 41 Ca 0.24 0.04 0.14 0.00 -1.45 0.00 0.00 58.65 57.62 3mop h GLN 41 Cb 0.10 0.15 -0.02 0.00 -0.05 0.00 0.00 27.48 27.66 3mop h GLN 41 CO -0.03 -0.43 0.50 1.25 -0.95 0.00 0.00 178.83 179.17 3mop h LEU 42 N -0.67 0.00 -0.46 1.46 6.46 -1.49 -0.05 115.31 120.55 3mop h LEU 42 Ca -0.02 0.00 -0.06 0.00 -0.12 0.00 0.00 57.88 57.67 3mop h LEU 42 Cb 0.60 0.00 -0.02 0.00 -0.73 0.00 0.00 40.66 40.51 3mop h LEU 42 CO -0.04 0.00 0.04 0.03 -0.62 0.00 0.00 178.44 177.85 3mop h ARG 43 N 0.00 0.79 0.00 1.25 2.47 -1.29 -1.57 114.38 116.03 3mop h ARG 43 Ca 0.22 -0.23 0.00 0.00 -1.26 0.00 0.00 59.98 58.71 3mop h ARG 43 Cb 1.23 -0.08 0.00 0.00 -1.65 0.00 0.00 29.97 29.47 3mop h ARG 43 CO -0.00 0.83 0.00 1.17 0.56 0.00 0.00 179.97 182.53 3mop n LYS 44 N -4.41 0.00 0.15 0.04 4.81 -0.06 -2.36 118.16 116.34 3mop n LYS 44 Ca 0.00 0.43 0.04 0.00 -0.87 0.00 0.00 58.31 57.91 3mop n LYS 44 Cb 0.28 -1.31 0.22 0.00 0.02 0.00 0.00 35.03 34.23 3mop n LYS 44 CO 0.00 0.00 0.00 -0.89 1.17 0.00 0.00 177.40 177.68 3mop n ILE 45 N -1.63 0.42 -0.05 3.15 5.41 -1.06 0.66 119.36 126.26 3mop n ILE 45 Ca 0.00 0.73 -0.21 0.00 1.00 0.00 0.00 62.75 64.27 3mop n ILE 45 Cb 0.00 -1.73 -0.13 0.00 -0.71 0.00 0.00 39.64 37.07 3mop n ILE 45 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 176.55 177.05 3mop h LYS 46 N 0.00 0.11 -0.97 0.38 1.63 -1.19 -3.37 116.57 113.16 3mop h LYS 46 Ca 0.00 -0.19 0.28 0.00 -0.85 0.00 0.00 60.65 59.89 3mop h LYS 46 Cb 0.89 0.07 -0.14 0.00 -0.60 0.00 0.00 32.23 32.45 3mop h LYS 46 CO 0.00 1.09 0.51 0.66 -3.45 0.00 0.00 179.45 178.25 3mop h SER 47 N -0.64 0.46 -0.02 4.20 4.64 0.61 -0.15 113.55 122.64 3mop h SER 47 Ca -0.31 0.18 0.01 0.00 -0.47 0.00 0.00 61.79 61.19 3mop h SER 47 Cb 1.51 0.13 -0.00 0.00 -0.31 0.00 0.00 62.40 63.74 3mop h SER 47 CO -0.07 -0.07 0.09 0.24 -0.87 0.00 0.00 176.83 176.15 3mop h MET 48 N 0.38 0.00 -0.19 4.77 2.86 -1.70 -2.76 114.93 118.28 3mop h MET 48 Ca 0.67 0.00 0.02 0.00 -2.06 0.00 0.00 59.70 58.33 3mop h MET 48 Cb 1.42 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 33.06 3mop h MET 48 CO -0.58 0.00 0.05 1.49 1.06 0.00 0.00 176.91 178.93 3mop h GLU 49 N 0.00 0.12 -1.79 1.72 4.81 -1.24 -3.03 114.58 115.18 3mop h GLU 49 Ca 0.01 -0.01 -0.12 0.00 -0.13 0.00 0.00 59.36 59.12 3mop h GLU 49 Cb 0.19 -0.03 -0.05 0.00 0.63 0.00 0.00 28.75 29.49 3mop h GLU 49 CO -0.00 0.08 0.15 0.91 -0.73 0.00 0.00 179.01 179.42 3mop n TRP 50 N -5.07 0.56 -4.15 0.92 5.03 -1.04 -4.56 117.44 109.12 3mop n TRP 50 Ca -0.03 -1.32 -0.15 0.00 3.03 0.00 0.00 57.50 59.03 3mop n TRP 50 Cb 0.08 -0.65 -0.13 0.00 -1.03 0.00 0.00 31.31 29.58 3mop n TRP 50 CO 0.00 0.00 0.00 0.54 -0.03 0.00 0.00 177.69 178.20 3mop s VAL 51 N -0.82 0.60 0.00 -0.99 0.11 -1.14 -5.02 120.40 113.14 3mop s VAL 51 Ca 0.11 -0.77 0.00 0.00 -2.93 0.00 0.00 61.98 58.39 3mop s VAL 51 Cb 0.09 -0.59 0.00 0.00 -1.53 0.00 0.00 36.38 34.34 3mop s VAL 51 CO -0.00 -0.14 0.00 0.00 -3.33 0.00 0.00 175.10 171.63 3mop n GLN 52 N 2.06 0.00 -0.94 1.54 1.13 -1.26 -2.92 117.38 116.98 3mop n GLN 52 Ca -0.18 0.00 -0.01 0.00 -1.94 0.00 0.00 57.00 54.86 3mop n GLN 52 Cb 0.56 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.91 3mop n GLN 52 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3mop n GLY 53 N 0.00 0.01 2.82 1.08 0.00 -1.26 -4.94 105.19 102.90 3mop n GLY 53 Ca 0.00 0.04 -0.28 0.00 0.00 0.00 0.00 46.02 45.78 3mop n GLY 53 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3mop s VAL 54 N -0.09 0.93 -0.62 1.61 -7.23 -1.15 -5.07 120.40 108.78 3mop s VAL 54 Ca 0.01 -0.77 -0.31 0.00 -1.81 0.00 0.00 61.98 59.10 3mop s VAL 54 Cb -0.00 -1.31 -0.14 0.00 0.56 0.00 0.00 36.38 35.49 3mop s VAL 54 CO 0.03 -0.12 2.44 -0.24 -0.31 0.00 0.00 175.10 176.91 3mop n SER 55 N 4.90 1.52 -0.32 4.85 2.88 -1.26 -4.59 113.62 121.60 3mop n SER 55 Ca -0.10 0.03 0.32 0.00 -1.33 0.00 0.00 58.87 57.79 3mop n SER 55 Cb 0.46 -1.24 0.70 0.00 -0.75 0.00 0.00 64.21 63.38 3mop n SER 55 CO 0.00 0.00 0.00 -0.29 -1.23 0.00 0.00 175.04 173.52 3mop h ILE 56 N 7.61 0.43 0.08 2.46 6.09 -1.90 0.44 117.51 132.71 3mop h ILE 56 Ca -0.18 -0.03 -0.26 0.00 -1.37 0.00 0.00 64.86 63.03 3mop h ILE 56 Cb 1.30 0.33 -0.01 0.00 0.47 0.00 0.00 36.82 38.92 3mop h ILE 56 CO 1.20 0.02 -1.21 0.74 -3.07 0.00 0.00 178.15 175.82 3mop h THR 57 N 0.09 1.51 0.27 2.19 2.02 -1.90 -1.40 112.91 115.69 3mop h THR 57 Ca 0.57 -3.15 0.00 0.00 0.77 0.00 0.00 66.41 64.60 3mop h THR 57 Cb 2.10 2.87 -0.04 0.00 -1.74 0.00 0.00 68.15 71.34 3mop h THR 57 CO -0.08 0.90 -0.51 -0.09 0.37 0.00 0.00 175.52 176.11 3mop h ARG 58 N 0.04 -0.80 -0.08 6.66 1.12 -0.70 1.37 114.38 122.00 3mop h ARG 58 Ca -0.11 0.05 -0.07 0.00 -1.11 0.00 0.00 59.98 58.74 3mop h ARG 58 Cb 1.91 0.18 -0.01 0.00 -0.01 0.00 0.00 29.97 32.04 3mop h ARG 58 CO 0.17 -0.54 -0.29 0.93 -3.11 0.00 0.00 179.97 177.13 3mop h GLU 59 N -0.83 0.14 -0.35 0.20 3.07 -0.53 0.15 114.58 116.43 3mop h GLU 59 Ca -0.03 -0.05 -0.12 0.00 -0.50 0.00 0.00 59.36 58.67 3mop h GLU 59 Cb 0.78 -0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 28.67 3mop h GLU 59 CO -0.19 0.42 -0.24 1.25 -1.40 0.00 0.00 179.01 178.85 3mop h LEU 60 N 0.13 0.81 -0.10 1.33 5.85 -0.78 -1.75 115.31 120.79 3mop h LEU 60 Ca 0.02 -0.44 -0.05 0.00 0.84 0.00 0.00 57.88 58.26 3mop h LEU 60 Cb 0.58 -0.23 -0.00 0.00 0.37 0.00 0.00 40.66 41.39 3mop h LEU 60 CO 0.04 1.07 -0.12 -0.07 -0.34 0.00 0.00 178.44 179.02 3mop h LEU 61 N 0.55 0.29 -1.29 2.25 4.07 0.23 -1.50 115.31 119.91 3mop h LEU 61 Ca 0.07 -0.50 0.03 0.00 0.08 0.00 0.00 57.88 57.55 3mop h LEU 61 Cb 0.80 -0.08 -0.04 0.00 1.08 0.00 0.00 40.66 42.42 3mop h LEU 61 CO 0.06 0.73 0.49 -0.25 -1.08 0.00 0.00 178.44 178.40 3mop h TRP 62 N -0.15 0.90 0.00 1.13 7.01 -0.79 0.27 115.95 124.31 3mop h TRP 62 Ca 0.01 0.02 -0.01 0.00 2.11 0.00 0.00 58.89 61.02 3mop h TRP 62 Cb 0.66 -0.30 -0.00 0.00 -2.10 0.00 0.00 29.16 27.42 3mop h TRP 62 CO 0.09 0.54 -0.06 2.35 -2.79 0.00 0.00 178.44 178.57 3mop h TRP 63 N 0.94 0.00 0.00 2.65 2.91 -1.18 -0.12 115.95 121.15 3mop h TRP 63 Ca 0.29 0.00 -0.12 0.00 1.13 0.00 0.00 58.89 60.19 3mop h TRP 63 Cb 0.00 0.00 -0.02 0.00 -0.51 0.00 0.00 29.16 28.63 3mop h TRP 63 CO -0.00 0.06 -0.86 2.35 -1.03 0.00 0.00 178.44 178.96 3mop h TRP 64 N 0.00 0.00 0.51 2.65 7.01 -0.16 -3.32 115.95 122.65 3mop h TRP 64 Ca -0.00 0.00 -0.02 0.00 2.11 0.00 0.00 58.89 60.98 3mop h TRP 64 Cb 0.69 0.00 -0.01 0.00 -2.10 0.00 0.00 29.16 27.74 3mop h TRP 64 CO 0.00 0.50 -0.41 0.78 -2.79 0.00 0.00 178.44 176.52 3mop h GLY 65 N 3.61 -1.16 0.20 2.65 0.00 0.97 -2.36 103.07 106.99 3mop h GLY 65 Ca -0.06 0.51 0.00 0.00 0.00 0.00 0.00 47.33 47.77 3mop h GLY 65 CO 0.05 -0.37 0.86 1.98 0.00 0.00 0.00 176.54 179.06 3mop h MET 66 N -0.89 0.00 -0.54 4.80 1.85 -1.18 0.31 114.93 119.29 3mop h MET 66 Ca -0.07 0.00 0.00 0.00 -0.61 0.00 0.00 59.70 59.02 3mop h MET 66 Cb 0.74 0.00 0.00 0.00 0.43 0.00 0.00 31.60 32.77 3mop h MET 66 CO 0.01 0.00 0.00 0.54 -0.40 0.00 0.00 176.91 177.06 3mop n ARG 67 N -2.43 3.57 -2.38 0.39 3.00 -0.92 -4.95 116.66 112.94 3mop n ARG 67 Ca -0.00 -2.79 -0.20 0.00 -0.01 0.00 0.00 57.85 54.85 3mop n ARG 67 Cb 0.87 -1.82 -0.01 0.00 0.00 0.00 0.00 32.46 31.49 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 0.73 -1.60 -1.96 5.56 -0.06 0.11 -4.95 117.38 115.21 3mop n GLN 68 Ca 0.23 0.97 -0.41 0.00 -2.00 0.00 0.00 57.00 55.79 3mop n GLN 68 Cb 0.85 -5.59 -0.02 0.00 -4.06 0.00 0.00 30.24 21.42 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 -3.00 3.63 1.00 1.69 0.00 -1.00 -4.99 121.76 119.09 3mop s ALA 69 Ca 0.00 1.39 0.00 0.00 0.00 0.00 0.00 51.96 53.35 3mop s ALA 69 Cb 0.00 -3.57 0.00 0.00 0.00 0.00 0.00 23.12 19.55 3mop s ALA 69 CO 0.00 -0.81 0.00 0.25 0.00 0.00 0.00 175.76 175.20 3mop n THR 70 N 1.95 0.00 -0.01 0.00 -2.24 -1.26 -2.32 114.28 110.39 3mop n THR 70 Ca 0.06 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.84 3mop n THR 70 Cb 0.40 -0.96 -0.04 0.00 -2.10 0.00 0.00 70.33 67.62 3mop n THR 70 CO 0.00 0.00 0.00 0.55 -0.57 0.00 0.00 175.07 175.05 3mop n VAL 71 N -0.77 0.15 0.59 2.28 3.14 -0.55 -2.56 118.33 120.61 3mop n VAL 71 Ca 0.00 -0.16 0.11 0.00 -2.96 0.00 0.00 64.34 61.33 3mop n VAL 71 Cb 0.00 -0.15 0.44 0.00 -1.06 0.00 0.00 33.84 33.07 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 -1.90 0.11 0.07 1.45 1.13 -1.26 -1.93 117.38 115.05 3mop n GLN 72 Ca -0.04 0.25 0.11 0.00 -1.94 0.00 0.00 57.00 55.38 3mop n GLN 72 Cb 0.36 -1.67 -0.05 0.00 0.11 0.00 0.00 30.24 29.00 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 -1.86 0.62 0.05 -1.09 6.02 -1.26 -1.98 117.38 117.87 3mop n GLN 73 Ca 0.04 0.03 -0.20 0.00 -0.01 0.00 0.00 57.00 56.87 3mop n GLN 73 Cb 0.27 -1.74 -0.14 0.00 1.02 0.00 0.00 30.24 29.65 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 0.54 -0.29 1.08 7.12 -1.69 -2.83 115.31 119.24 3mop h LEU 74 Ca 0.00 -0.90 -0.06 0.00 0.13 0.00 0.00 57.88 57.05 3mop h LEU 74 Cb 1.00 -0.17 -0.01 0.00 -0.53 0.00 0.00 40.66 40.95 3mop h LEU 74 CO 0.00 1.40 -0.04 0.58 -0.13 0.00 0.00 178.44 180.24 3mop h VAL 75 N -0.22 1.27 -0.53 1.05 2.07 -1.49 -2.26 116.25 116.14 3mop h VAL 75 Ca -0.14 -1.04 0.07 0.00 0.82 0.00 0.00 66.70 66.41 3mop h VAL 75 Cb 1.63 1.37 -0.10 0.00 -1.52 0.00 0.00 31.29 32.68 3mop h VAL 75 CO 0.16 0.33 -0.49 0.44 0.02 0.00 0.00 177.57 178.03 3mop h ASP 76 N 0.31 -1.67 0.00 0.57 3.45 -1.50 -0.18 116.42 117.39 3mop h ASP 76 Ca 0.08 0.25 0.00 0.00 0.43 0.00 0.00 57.03 57.78 3mop h ASP 76 Cb 0.51 0.73 0.00 0.00 -0.56 0.00 0.00 39.33 40.00 3mop h ASP 76 CO 0.02 -0.36 0.00 -0.11 -1.57 0.00 0.00 179.24 177.23 3mop n LEU 77 N -5.39 0.00 -0.64 1.55 0.00 -1.07 -1.63 117.00 109.83 3mop n LEU 77 Ca -0.00 0.00 0.08 0.00 0.00 0.00 0.00 56.01 56.09 3mop n LEU 77 Cb 0.34 0.00 0.06 0.00 0.00 0.00 0.00 43.42 43.82 3mop n LEU 77 CO -0.01 0.00 0.49 0.18 0.00 0.00 0.00 177.39 178.05 3mop n LEU 78 N -0.53 2.31 -0.05 -1.96 4.77 -0.10 -4.16 117.00 117.28 3mop n LEU 78 Ca 0.02 -0.98 -0.10 0.00 -0.03 0.00 0.00 56.01 54.91 3mop n LEU 78 Cb 0.01 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.06 3mop n LEU 78 CO 0.01 0.41 -0.67 0.00 -1.33 0.00 0.00 177.39 175.81 3mop n ARG 80 N -3.91 0.04 0.00 0.00 0.63 -0.65 0.72 116.66 113.50 3mop n ARG 80 Ca -0.18 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.75 3mop n ARG 80 Cb 0.48 -1.00 0.00 0.00 0.45 0.00 0.00 32.46 32.39 3mop n ARG 80 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40 3mop n LEU 81 N -0.37 0.02 -0.95 6.15 7.99 -1.26 -5.00 117.00 123.58 3mop n LEU 81 Ca 0.00 -0.02 -0.12 0.00 -0.01 0.00 0.00 56.01 55.86 3mop n LEU 81 Cb 0.00 0.00 -0.05 0.00 -0.11 0.00 0.00 43.42 43.26 3mop n LEU 81 CO 0.00 0.00 -0.12 -0.62 -1.51 0.00 0.00 177.39 175.15 3mop n GLU 82 N -0.00 -0.97 -2.12 3.23 -0.58 0.22 -4.89 120.64 115.53 3mop n GLU 82 Ca 0.00 0.92 -0.38 0.00 -0.42 0.00 0.00 57.16 57.28 3mop n GLU 82 Cb 0.35 -4.98 0.01 0.00 -0.57 0.00 0.00 31.44 26.25 3mop n GLU 82 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 3mop n LEU 83 N -1.40 7.40 -0.27 -4.62 4.77 -1.01 -4.70 117.00 117.16 3mop n LEU 83 Ca -0.12 -4.93 -0.01 0.00 -0.03 0.00 0.00 56.01 50.92 3mop n LEU 83 Cb 0.43 -1.18 0.18 0.00 -2.33 0.00 0.00 43.42 40.53 3mop n LEU 83 CO 0.19 1.91 1.23 1.88 -1.33 0.00 0.00 177.39 181.27 3mop h TYR 84 N 3.68 1.07 -1.09 -1.77 -1.99 -1.85 -2.65 116.97 112.36 3mop h TYR 84 Ca 0.55 0.01 0.32 0.00 2.00 0.00 0.00 58.73 61.61 3mop h TYR 84 Cb 0.28 -0.36 -0.04 0.00 2.00 0.00 0.00 36.73 38.61 3mop h TYR 84 CO 1.35 0.69 1.20 0.00 -0.00 0.00 0.00 178.16 181.40 3mop h ARG 85 N 1.14 0.00 0.00 4.88 3.08 -1.87 -1.45 114.38 120.16 3mop h ARG 85 Ca 0.30 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.35 3mop h ARG 85 Cb -0.09 0.00 0.00 0.00 0.08 0.00 0.00 29.97 29.96 3mop h ARG 85 CO -0.06 0.00 -0.41 0.00 -1.07 0.00 0.00 179.97 178.43 3mop n ALA 86 N -2.31 0.36 0.24 0.04 0.00 -1.00 -4.28 120.51 113.55 3mop n ALA 86 Ca 0.24 -0.38 0.06 0.00 0.00 0.00 0.00 53.44 53.37 3mop n ALA 86 Cb 1.53 0.01 0.34 0.00 0.00 0.00 0.00 19.45 21.33 3mop n ALA 86 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3mop h ALA 87 N -1.32 1.45 0.00 0.00 0.00 -1.39 0.17 119.26 118.17 3mop h ALA 87 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 3mop h ALA 87 Cb 0.41 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.20 3mop h ALA 87 CO 0.00 -0.45 -0.00 1.96 0.00 0.00 0.00 179.25 180.76 3mop h GLN 88 N 0.00 0.00 0.09 0.00 4.20 -1.49 -1.94 115.11 115.97 3mop h GLN 88 Ca 0.00 0.00 -0.34 0.00 0.06 0.00 0.00 58.65 58.37 3mop h GLN 88 Cb 1.07 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.82 3mop h GLN 88 CO 0.00 0.00 -1.84 -0.84 -0.67 0.00 0.00 178.83 175.48 3mop h ILE 89 N 0.00 0.77 -0.19 2.54 3.07 -0.91 -3.32 117.51 119.47 3mop h ILE 89 Ca -0.00 -2.51 0.00 0.00 1.55 0.00 0.00 64.86 63.90 3mop h ILE 89 Cb 0.00 2.52 0.00 0.00 -0.27 0.00 0.00 36.82 39.07 3mop h ILE 89 CO 0.00 0.76 0.00 2.30 -1.05 0.00 0.00 178.15 180.16 3mop n ILE 90 N -3.35 0.77 0.18 0.16 -5.35 -0.91 -1.44 119.36 109.42 3mop n ILE 90 Ca -0.25 -0.42 0.03 0.00 -0.27 0.00 0.00 62.75 61.84 3mop n ILE 90 Cb 1.05 -0.33 -0.04 0.00 -1.74 0.00 0.00 39.64 38.58 3mop n ILE 90 CO 0.00 0.00 0.00 -0.11 -1.76 0.00 0.00 176.55 174.68 3mop n LEU 91 N 0.19 0.18 -1.21 7.28 -0.00 -0.78 -4.15 117.00 118.51 3mop n LEU 91 Ca 0.09 -0.31 0.00 0.00 -0.00 0.00 0.00 56.01 55.79 3mop n LEU 91 Cb 0.49 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.91 3mop n LEU 91 CO 0.09 0.04 0.65 0.59 -0.00 0.00 0.00 177.39 178.77 3mop n ASN 92 N -1.36 3.69 0.00 1.96 5.03 -0.52 -3.60 115.26 120.45 3mop n ASN 92 Ca 0.00 -2.05 0.00 0.00 0.87 0.00 0.00 54.58 53.40 3mop n ASN 92 Cb 0.12 -0.70 0.00 0.00 -1.02 0.00 0.00 39.78 38.18 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 0.93 -0.95 -0.25 3.10 -0.00 -1.26 -5.07 117.44 113.94 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 0.47 0.26 0.00 0.00 -0.00 0.00 0.00 31.31 32.03 3mop n TRP 93 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 177.69 179.32