#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 3.05 0.11 0.00 1.51 -1.26 -1.71 117.35 119.05 3mop s TYR 4 Ca 0.00 -0.06 -0.31 0.00 -1.01 0.00 0.00 57.07 55.69 3mop s TYR 4 Cb 0.00 -1.47 -0.12 0.00 -0.11 0.00 0.00 41.96 40.26 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 2.16 0.00 0.00 2.71 1.08 -1.32 -1.03 117.51 121.11 3mop h ILE 5 Ca -0.47 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.00 3mop h ILE 5 Cb 1.20 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 34.95 3mop h ILE 5 CO 0.62 0.00 0.00 0.00 -0.69 0.00 0.00 178.15 178.08 3mop n TYR 6 N -5.20 0.00 -0.76 1.37 0.18 -1.26 -0.60 117.16 110.89 3mop n TYR 6 Ca -0.06 0.00 0.08 0.00 1.88 0.00 0.00 57.90 59.80 3mop n TYR 6 Cb 0.35 -0.11 0.39 0.00 -0.38 0.00 0.00 39.34 39.59 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 -1.11 4.34 -2.62 -3.48 6.02 -0.39 -4.93 117.38 115.21 3mop n GLN 7 Ca 0.03 -3.04 -0.42 0.00 -0.01 0.00 0.00 57.00 53.55 3mop n GLN 7 Cb 0.02 -2.09 -0.03 0.00 1.02 0.00 0.00 30.24 29.17 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 -2.29 4.34 0.16 1.08 2.01 0.23 -4.66 118.68 119.56 3mop s LEU 8 Ca 0.54 1.74 -0.33 0.00 0.01 0.00 0.00 54.13 56.08 3mop s LEU 8 Cb 0.38 -3.57 -0.16 0.00 0.01 0.00 0.00 46.19 42.85 3mop s LEU 8 CO 0.21 -0.36 1.15 -2.65 1.01 0.00 0.00 176.35 175.70 3mop n PRO 9 N 4.18 1.07 0.22 1.29 -0.01 -1.26 -4.77 135.00 135.72 3mop n PRO 9 Ca 0.08 0.38 0.15 0.00 -0.01 0.00 0.00 63.50 64.10 3mop n PRO 9 Cb 0.49 -1.87 0.73 0.00 -0.01 0.00 0.00 33.50 32.84 3mop n PRO 9 CO 0.00 0.00 0.00 0.77 -0.01 0.00 0.00 175.50 176.26 3mop h SER 10 N 3.34 0.00 0.18 2.55 0.02 -1.99 -1.14 113.55 116.51 3mop h SER 10 Ca -0.43 0.00 -0.28 0.00 -0.84 0.00 0.00 61.79 60.24 3mop h SER 10 Cb 1.35 0.00 0.02 0.00 0.14 0.00 0.00 62.40 63.91 3mop h SER 10 CO 0.70 0.00 -1.30 4.11 -1.14 0.00 0.00 176.83 179.19 3mop h TRP 11 N 0.00 0.69 -0.93 3.45 0.09 -1.98 -1.32 115.95 115.95 3mop h TRP 11 Ca 0.00 -0.50 0.16 0.00 0.09 0.00 0.00 58.89 58.64 3mop h TRP 11 Cb 0.22 -0.03 -0.10 0.00 0.08 0.00 0.00 29.16 29.34 3mop h TRP 11 CO 0.00 1.50 0.53 0.28 0.09 0.00 0.00 178.44 180.84 3mop h VAL 12 N -0.12 0.74 -0.02 0.12 2.07 -1.59 0.69 116.25 118.13 3mop h VAL 12 Ca -0.25 -0.25 -0.18 0.00 0.82 0.00 0.00 66.70 66.84 3mop h VAL 12 Cb 1.91 -0.05 -0.01 0.00 -1.52 0.00 0.00 31.29 31.62 3mop h VAL 12 CO 0.17 0.13 -0.79 0.25 0.02 0.00 0.00 177.57 177.36 3mop h LEU 13 N 0.73 0.26 0.66 2.57 7.12 -1.47 -2.57 115.31 122.60 3mop h LEU 13 Ca 0.51 -0.19 -0.03 0.00 0.13 0.00 0.00 57.88 58.30 3mop h LEU 13 Cb 0.73 -0.08 0.01 0.00 -0.53 0.00 0.00 40.66 40.79 3mop h LEU 13 CO -0.36 0.95 -0.31 -0.78 -0.13 0.00 0.00 178.44 177.80 3mop h ASP 14 N 0.13 -0.75 -0.54 1.25 -0.00 0.67 0.26 116.42 117.45 3mop h ASP 14 Ca -0.03 -0.01 0.16 0.00 -0.00 0.00 0.00 57.03 57.14 3mop h ASP 14 Cb 1.38 0.19 -0.02 0.00 -0.00 0.00 0.00 39.33 40.88 3mop h ASP 14 CO 0.12 -0.44 0.41 0.44 -0.00 0.00 0.00 179.24 179.77 3mop h ASP 15 N -1.03 0.00 0.61 2.28 5.19 0.13 0.05 116.42 123.65 3mop h ASP 15 Ca -0.09 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.32 3mop h ASP 15 Cb 0.71 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.22 3mop h ASP 15 CO 0.15 0.00 -0.93 -0.11 -3.12 0.00 0.00 179.24 175.23 3mop n LEU 16 N -4.23 0.64 -1.06 1.55 0.00 -0.97 -3.13 117.00 109.81 3mop n LEU 16 Ca 0.10 0.09 0.11 0.00 0.00 0.00 0.00 56.01 56.31 3mop n LEU 16 Cb 0.64 -0.12 0.26 0.00 0.00 0.00 0.00 43.42 44.20 3mop n LEU 16 CO 0.35 -0.01 0.73 0.00 0.00 0.00 0.00 177.39 178.46 3mop h ARG 18 N 3.82 0.32 0.00 0.00 -0.00 -1.20 -3.35 114.38 113.96 3mop h ARG 18 Ca 0.00 -0.55 0.00 0.00 -0.50 0.00 0.00 59.98 58.93 3mop h ARG 18 Cb 0.85 0.21 0.00 0.00 0.00 0.00 0.00 29.97 31.03 3mop h ARG 18 CO 0.00 1.26 0.00 0.09 0.00 0.00 0.00 179.97 181.32 3mop n ASN 19 N -3.70 0.00 0.00 7.04 5.03 -1.22 -3.73 115.26 118.67 3mop n ASN 19 Ca -0.26 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.19 3mop n ASN 19 Cb 1.01 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 39.77 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 0.00 0.00 3.52 2.81 -1.25 -2.28 117.12 119.92 3mop n MET 20 Ca 0.00 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.89 3mop n MET 20 Cb 0.00 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 32.51 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 -3.57 0.00 -4.57 7.83 4.64 -1.26 -3.66 116.55 115.97 3mop n ASP 21 Ca 0.00 0.00 -0.36 0.00 -1.38 0.00 0.00 54.79 53.05 3mop n ASP 21 Cb 0.00 0.00 -0.03 0.00 -1.04 0.00 0.00 41.12 40.05 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 -2.57 2.44 -0.47 -1.67 0.00 -0.97 -4.74 121.76 113.77 3mop s ALA 22 Ca 0.00 -2.21 0.04 0.00 0.00 0.00 0.00 51.96 49.79 3mop s ALA 22 Cb 0.00 -4.59 0.20 0.00 0.00 0.00 0.00 23.12 18.73 3mop s ALA 22 CO 0.00 -4.11 0.84 -0.11 0.00 0.00 0.00 175.76 172.37 3mop n LEU 23 N 10.96 -2.93 -2.73 0.00 -0.00 -1.24 -4.76 117.00 116.30 3mop n LEU 23 Ca 0.40 -2.50 -0.03 0.00 -0.00 0.00 0.00 56.01 53.88 3mop n LEU 23 Cb 0.48 0.72 -0.02 0.00 -0.00 0.00 0.00 43.42 44.59 3mop n LEU 23 CO 0.67 1.77 -0.37 -0.24 -0.00 0.00 0.00 177.39 179.22 3mop n SER 24 N 2.71 -3.73 0.29 1.96 2.88 -1.26 -2.93 113.62 113.55 3mop n SER 24 Ca 0.15 1.23 0.00 0.00 -1.33 0.00 0.00 58.87 58.92 3mop n SER 24 Cb 0.59 -3.66 0.00 0.00 -0.75 0.00 0.00 64.21 60.39 3mop n SER 24 CO 0.00 0.00 0.00 1.21 -1.23 0.00 0.00 175.04 175.02 3mop n GLU 25 N 2.06 0.03 -0.13 -1.46 2.13 -1.26 0.24 120.64 122.24 3mop n GLU 25 Ca -0.21 0.85 -0.27 0.00 0.66 0.00 0.00 57.16 58.18 3mop n GLU 25 Cb 0.33 -2.40 -0.10 0.00 0.27 0.00 0.00 31.44 29.54 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 -2.31 0.27 -0.03 4.31 7.02 -1.26 -3.39 117.44 122.05 3mop n TRP 26 Ca 0.00 0.12 0.18 0.00 -1.02 0.00 0.00 57.50 56.78 3mop n TRP 26 Cb 0.92 -1.01 0.64 0.00 -2.42 0.00 0.00 31.31 29.43 3mop n TRP 26 CO 0.00 0.00 0.00 -0.44 -2.02 0.00 0.00 177.69 175.23 3mop h ASP 27 N -1.00 0.11 0.00 -0.99 3.45 -0.39 -2.49 116.42 115.12 3mop h ASP 27 Ca -0.59 0.01 -0.04 0.00 0.43 0.00 0.00 57.03 56.83 3mop h ASP 27 Cb 1.51 -0.02 -0.01 0.00 -0.56 0.00 0.00 39.33 40.26 3mop h ASP 27 CO -0.36 0.06 -0.32 -0.25 -1.57 0.00 0.00 179.24 176.80 3mop h TRP 28 N 0.12 0.00 -0.84 4.55 7.01 -1.21 -3.36 115.95 122.21 3mop h TRP 28 Ca 0.27 0.00 0.24 0.00 2.11 0.00 0.00 58.89 61.52 3mop h TRP 28 Cb 0.91 0.00 -0.03 0.00 -2.10 0.00 0.00 29.16 27.94 3mop h TRP 28 CO -0.00 0.55 0.70 1.98 -2.79 0.00 0.00 178.44 178.88 3mop h MET 29 N -1.00 0.00 -0.02 2.65 4.05 -1.47 1.04 114.93 120.18 3mop h MET 29 Ca -0.06 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.36 3mop h MET 29 Cb 0.62 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.42 3mop h MET 29 CO -0.04 0.00 -0.22 -1.91 0.23 0.00 0.00 176.91 174.97 3mop n GLU 30 N -3.97 1.57 0.02 0.39 4.07 -0.98 -1.97 120.64 119.79 3mop n GLU 30 Ca 0.18 -1.21 -0.20 0.00 -0.06 0.00 0.00 57.16 55.87 3mop n GLU 30 Cb 1.00 -1.47 -0.14 0.00 -0.06 0.00 0.00 31.44 30.76 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 2.95 0.46 0.81 4.31 3.04 0.94 -3.24 116.94 126.20 3mop h PHE 31 Ca 0.00 -0.33 -0.04 0.00 3.98 0.00 0.00 57.97 61.58 3mop h PHE 31 Cb 0.76 -0.02 0.00 0.00 2.56 0.00 0.00 35.95 39.25 3mop h PHE 31 CO 0.00 1.34 -0.42 0.00 -2.02 0.00 0.00 178.31 177.21 3mop h ALA 32 N 0.03 -1.14 0.00 2.41 0.00 -1.37 -2.00 119.26 117.19 3mop h ALA 32 Ca -0.17 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.50 3mop h ALA 32 Cb 1.60 0.48 0.00 0.00 0.00 0.00 0.00 17.79 19.87 3mop h ALA 32 CO 0.11 -1.15 0.23 1.03 0.00 0.00 0.00 179.25 179.46 3mop h SER 33 N -1.13 0.00 -0.06 0.00 0.87 -1.57 0.66 113.55 112.31 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 0.88 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.84 3mop h SER 33 CO 0.16 0.00 0.00 -1.22 -0.53 0.00 0.00 176.83 175.24 3mop n TYR 34 N -2.58 0.05 0.07 2.24 4.02 -0.78 -4.25 117.16 115.94 3mop n TYR 34 Ca -0.02 -0.03 -0.02 0.00 -0.01 0.00 0.00 57.90 57.83 3mop n TYR 34 Cb 0.27 0.00 0.15 0.00 -0.02 0.00 0.00 39.34 39.74 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 0.77 1.55 -1.02 -0.72 3.14 0.23 -4.80 118.33 117.47 3mop n VAL 35 Ca 0.17 -0.73 -0.01 0.00 -2.96 0.00 0.00 64.34 60.81 3mop n VAL 35 Cb 0.47 -0.53 -0.00 0.00 -1.06 0.00 0.00 33.84 32.72 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 0.09 0.00 -0.52 1.55 5.41 -1.26 -5.03 119.36 119.60 3mop n ILE 36 Ca 0.18 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.93 3mop n ILE 36 Cb 0.82 -0.29 0.00 0.00 -0.71 0.00 0.00 39.64 39.46 3mop n ILE 36 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 176.55 176.96 3mop n THR 37 N -2.85 0.00 -3.86 1.39 -1.04 -1.26 -5.13 114.28 101.53 3mop n THR 37 Ca -0.01 0.00 -0.10 0.00 -2.04 0.00 0.00 64.05 61.91 3mop n THR 37 Cb 0.09 -1.86 -0.06 0.00 -1.82 0.00 0.00 70.33 66.68 3mop n THR 37 CO 0.00 0.00 0.00 1.51 -0.64 0.00 0.00 175.07 175.94 3mop s ASP 38 N -1.00 -0.08 0.02 8.00 1.47 -1.26 -4.99 116.67 118.82 3mop s ASP 38 Ca 0.00 -0.69 -0.03 0.00 1.18 0.00 0.00 52.55 53.01 3mop s ASP 38 Cb 0.00 0.49 -0.01 0.00 -0.34 0.00 0.00 42.92 43.06 3mop s ASP 38 CO 0.00 -0.95 0.82 -0.11 0.68 0.00 0.00 175.17 175.62 3mop n LEU 39 N -0.26 -0.12 -0.21 2.11 0.00 -1.26 -2.77 117.00 114.50 3mop n LEU 39 Ca -0.09 0.85 -0.08 0.00 0.00 0.00 0.00 56.01 56.70 3mop n LEU 39 Cb 0.63 -0.35 0.03 0.00 0.00 0.00 0.00 43.42 43.72 3mop n LEU 39 CO 0.21 -0.49 0.98 0.00 0.00 0.00 0.00 177.39 178.09 3mop h THR 40 N 0.00 1.23 0.41 1.96 1.03 -2.01 -3.18 112.91 112.35 3mop h THR 40 Ca 0.02 -0.73 -0.01 0.00 -0.01 0.00 0.00 66.41 65.68 3mop h THR 40 Cb 0.05 0.60 -0.00 0.00 -1.07 0.00 0.00 68.15 67.72 3mop h THR 40 CO -0.10 0.28 -0.25 1.56 -0.01 0.00 0.00 175.52 177.00 3mop h GLN 41 N 0.82 -0.60 -0.16 0.00 1.08 -1.95 -2.17 115.11 112.13 3mop h GLN 41 Ca 0.20 0.04 0.05 0.00 -1.45 0.00 0.00 58.65 57.48 3mop h GLN 41 Cb 0.21 0.14 -0.01 0.00 -0.05 0.00 0.00 27.48 27.78 3mop h GLN 41 CO -0.01 -0.40 0.31 -0.07 -0.95 0.00 0.00 178.83 177.70 3mop h LEU 42 N -0.63 0.00 -0.56 1.46 -0.00 -1.54 -0.71 115.31 113.33 3mop h LEU 42 Ca -0.05 0.00 -0.05 0.00 -0.00 0.00 0.00 57.88 57.78 3mop h LEU 42 Cb 0.51 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 41.15 3mop h LEU 42 CO 0.05 0.00 0.16 0.03 -0.00 0.00 0.00 178.44 178.68 3mop h ARG 43 N 0.00 0.89 0.09 1.13 3.08 -1.37 -0.97 114.38 117.23 3mop h ARG 43 Ca 0.08 -0.20 -0.00 0.00 0.07 0.00 0.00 59.98 59.92 3mop h ARG 43 Cb 0.70 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 30.63 3mop h ARG 43 CO -0.00 0.82 -0.04 -0.22 -1.07 0.00 0.00 179.97 179.45 3mop h LYS 44 N 0.79 -0.12 0.00 0.04 3.64 -1.18 -2.76 116.57 116.98 3mop h LYS 44 Ca 0.18 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.57 3mop h LYS 44 Cb 0.31 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.16 3mop h LYS 44 CO -0.00 -0.08 0.20 1.51 -2.27 0.00 0.00 179.45 178.81 3mop n ILE 45 N -2.33 1.05 0.03 2.00 0.13 -1.06 0.39 119.36 119.56 3mop n ILE 45 Ca -0.01 0.61 -0.22 0.00 -1.10 0.00 0.00 62.75 62.02 3mop n ILE 45 Cb 0.05 -1.61 -0.14 0.00 -0.84 0.00 0.00 39.64 37.10 3mop n ILE 45 CO 0.00 0.00 0.00 0.50 2.80 0.00 0.00 176.55 179.85 3mop h LYS 46 N 0.00 0.30 -1.03 9.51 1.63 -1.14 -3.36 116.57 122.49 3mop h LYS 46 Ca 0.00 -0.52 0.30 0.00 -0.85 0.00 0.00 60.65 59.58 3mop h LYS 46 Cb 0.40 0.19 -0.14 0.00 -0.60 0.00 0.00 32.23 32.09 3mop h LYS 46 CO 0.00 1.25 0.61 1.03 -3.45 0.00 0.00 179.45 178.89 3mop h SER 47 N 0.07 0.53 -0.06 4.20 0.87 0.24 0.12 113.55 119.52 3mop h SER 47 Ca -0.40 0.16 0.02 0.00 -1.23 0.00 0.00 61.79 60.34 3mop h SER 47 Cb 2.05 0.10 -0.00 0.00 -0.44 0.00 0.00 62.40 64.10 3mop h SER 47 CO 0.11 -0.05 0.12 0.24 -0.53 0.00 0.00 176.83 176.72 3mop h MET 48 N 0.38 0.00 -0.06 2.24 2.86 -1.68 -2.89 114.93 115.77 3mop h MET 48 Ca 0.70 0.00 0.02 0.00 -2.06 0.00 0.00 59.70 58.37 3mop h MET 48 Cb 1.61 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 33.25 3mop h MET 48 CO -0.52 0.00 -0.07 1.49 1.06 0.00 0.00 176.91 178.87 3mop h GLU 49 N 0.00 -0.09 -1.67 1.72 4.22 -1.19 -2.98 114.58 114.60 3mop h GLU 49 Ca 0.03 0.01 -0.28 0.00 0.08 0.00 0.00 59.36 59.19 3mop h GLU 49 Cb 0.26 0.02 -0.12 0.00 0.50 0.00 0.00 28.75 29.41 3mop h GLU 49 CO -0.00 -0.06 0.32 0.91 -2.18 0.00 0.00 179.01 178.00 3mop n TRP 50 N -5.20 1.24 -4.34 0.92 7.02 -1.09 -4.58 117.44 111.41 3mop n TRP 50 Ca -0.05 -1.79 -0.21 0.00 -1.02 0.00 0.00 57.50 54.43 3mop n TRP 50 Cb 0.12 -0.95 -0.13 0.00 -2.42 0.00 0.00 31.31 27.94 3mop n TRP 50 CO 0.00 0.00 0.00 0.54 -2.02 0.00 0.00 177.69 176.21 3mop s VAL 51 N -1.79 1.24 0.00 -0.99 0.11 -1.13 -5.02 120.40 112.82 3mop s VAL 51 Ca 0.30 -1.15 0.00 0.00 -2.93 0.00 0.00 61.98 58.20 3mop s VAL 51 Cb 0.22 -1.13 0.00 0.00 -1.53 0.00 0.00 36.38 33.93 3mop s VAL 51 CO -0.02 -0.03 0.00 0.00 -3.33 0.00 0.00 175.10 171.72 3mop n GLN 52 N 1.67 0.00 -0.82 1.54 1.13 -1.26 -3.09 117.38 116.55 3mop n GLN 52 Ca -0.19 0.00 -0.01 0.00 -1.94 0.00 0.00 57.00 54.86 3mop n GLN 52 Cb 0.54 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.89 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 0.00 2.74 1.08 0.00 -1.26 -4.95 105.19 102.80 3mop n GLY 53 Ca 0.00 0.02 -0.28 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.06 0.59 -0.70 1.61 -7.23 -1.18 -5.07 120.40 108.35 3mop s VAL 54 Ca 0.01 -0.66 -0.30 0.00 -1.81 0.00 0.00 61.98 59.22 3mop s VAL 54 Cb -0.00 -1.12 -0.15 0.00 0.56 0.00 0.00 36.38 35.68 3mop s VAL 54 CO 0.02 -0.25 2.51 -1.20 -0.31 0.00 0.00 175.10 175.86 3mop n SER 55 N 5.02 1.32 -0.28 4.85 7.64 -1.26 -4.59 113.62 126.32 3mop n SER 55 Ca -0.09 -0.03 0.34 0.00 1.01 0.00 0.00 58.87 60.10 3mop n SER 55 Cb 0.46 -1.22 0.74 0.00 -1.01 0.00 0.00 64.21 63.18 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 7.73 0.37 0.00 0.44 6.09 -1.90 0.35 117.51 130.59 3mop h ILE 56 Ca -0.15 0.00 -0.25 0.00 -1.37 0.00 0.00 64.86 63.09 3mop h ILE 56 Cb 1.30 0.40 -0.04 0.00 0.47 0.00 0.00 36.82 38.95 3mop h ILE 56 CO 1.24 0.00 -1.43 0.71 -3.07 0.00 0.00 178.15 175.60 3mop h THR 57 N 0.00 1.05 0.02 2.19 1.35 -1.91 -1.61 112.91 114.01 3mop h THR 57 Ca 0.53 -2.81 0.01 0.00 -0.55 0.00 0.00 66.41 63.59 3mop h THR 57 Cb 2.22 2.50 -0.03 0.00 -1.73 0.00 0.00 68.15 71.11 3mop h THR 57 CO -0.01 0.60 -0.34 -0.09 -0.25 0.00 0.00 175.52 175.43 3mop h ARG 58 N 0.00 -0.43 -0.98 4.72 1.12 -0.81 0.80 114.38 118.81 3mop h ARG 58 Ca -0.18 0.03 0.07 0.00 -1.11 0.00 0.00 59.98 58.79 3mop h ARG 58 Cb 1.88 0.10 -0.07 0.00 -0.01 0.00 0.00 29.97 31.87 3mop h ARG 58 CO 0.09 -0.28 0.64 0.93 -3.11 0.00 0.00 179.97 178.23 3mop h GLU 59 N -0.44 1.09 -0.32 0.20 3.07 -0.87 0.27 114.58 117.58 3mop h GLU 59 Ca 0.00 -0.07 -0.16 0.00 -0.50 0.00 0.00 59.36 58.64 3mop h GLU 59 Cb 0.47 -0.25 -0.01 0.00 -0.84 0.00 0.00 28.75 28.12 3mop h GLU 59 CO -0.22 0.72 -0.43 1.25 -1.40 0.00 0.00 179.01 178.93 3mop h LEU 60 N 1.12 0.88 -0.02 1.33 5.85 -0.96 -1.79 115.31 121.72 3mop h LEU 60 Ca 0.43 -0.42 -0.01 0.00 0.84 0.00 0.00 57.88 58.73 3mop h LEU 60 Cb 0.21 -0.25 -0.00 0.00 0.37 0.00 0.00 40.66 40.99 3mop h LEU 60 CO -0.18 1.18 -0.02 -0.07 -0.34 0.00 0.00 178.44 179.01 3mop h LEU 61 N 0.66 0.05 -0.99 2.25 4.07 0.15 -1.31 115.31 120.19 3mop h LEU 61 Ca 0.04 -0.50 -0.06 0.00 0.08 0.00 0.00 57.88 57.45 3mop h LEU 61 Cb 1.00 -0.01 -0.02 0.00 1.08 0.00 0.00 40.66 42.71 3mop h LEU 61 CO 0.10 0.54 0.09 -0.25 -1.08 0.00 0.00 178.44 177.84 3mop h TRP 62 N -0.44 0.86 0.00 1.13 7.01 -0.56 0.33 115.95 124.28 3mop h TRP 62 Ca 0.00 -0.09 0.00 0.00 2.11 0.00 0.00 58.89 60.91 3mop h TRP 62 Cb 0.53 -0.25 0.00 0.00 -2.10 0.00 0.00 29.16 27.34 3mop h TRP 62 CO 0.10 0.74 0.00 2.35 -2.79 0.00 0.00 178.44 178.84 3mop h TRP 63 N 0.79 0.00 0.00 2.65 2.91 -1.30 0.57 115.95 121.56 3mop h TRP 63 Ca 0.17 0.00 -0.11 0.00 1.13 0.00 0.00 58.89 60.08 3mop h TRP 63 Cb 0.34 0.00 -0.02 0.00 -0.51 0.00 0.00 29.16 28.97 3mop h TRP 63 CO 0.02 0.00 -0.95 2.35 -1.03 0.00 0.00 178.44 178.83 3mop h TRP 64 N 0.00 0.00 0.34 2.65 7.01 -0.18 -3.32 115.95 122.45 3mop h TRP 64 Ca 0.00 0.00 -0.01 0.00 2.11 0.00 0.00 58.89 60.99 3mop h TRP 64 Cb 0.51 0.00 -0.02 0.00 -2.10 0.00 0.00 29.16 27.54 3mop h TRP 64 CO 0.00 0.41 -0.41 0.78 -2.79 0.00 0.00 178.44 176.44 3mop h GLY 65 N 3.71 -1.16 -0.76 2.65 0.00 0.15 -2.09 103.07 105.58 3mop h GLY 65 Ca -0.07 0.55 0.22 0.00 0.00 0.00 0.00 47.33 48.03 3mop h GLY 65 CO 0.04 -0.34 1.13 -0.13 0.00 0.00 0.00 176.54 177.24 3mop n MET 66 N -4.84 0.02 -0.74 4.80 0.00 0.00 0.34 117.12 116.70 3mop n MET 66 Ca -0.09 0.97 -0.00 0.00 -0.00 0.00 0.00 57.70 58.58 3mop n MET 66 Cb 0.36 -2.46 0.26 0.00 0.00 0.00 0.00 33.22 31.38 3mop n MET 66 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 175.97 176.51 3mop n ARG 67 N -2.99 2.86 -2.24 2.12 1.74 -0.81 -4.95 116.66 112.40 3mop n ARG 67 Ca 0.17 -3.02 -0.14 0.00 -0.77 0.00 0.00 57.85 54.09 3mop n ARG 67 Cb 1.36 -1.96 -0.01 0.00 -1.02 0.00 0.00 32.46 30.83 3mop n ARG 67 CO 0.00 0.00 0.00 0.94 -1.52 0.00 0.00 177.63 177.05 3mop n GLN 68 N -0.59 -1.14 -2.06 5.56 -0.06 0.15 -4.97 117.38 114.28 3mop n GLN 68 Ca 0.32 0.71 -0.41 0.00 -2.00 0.00 0.00 57.00 55.61 3mop n GLN 68 Cb 1.11 -5.00 -0.02 0.00 -4.06 0.00 0.00 30.24 22.27 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 -2.71 3.60 1.00 1.69 0.00 -1.06 -5.00 121.76 119.28 3mop s ALA 69 Ca 0.00 1.28 0.00 0.00 0.00 0.00 0.00 51.96 53.24 3mop s ALA 69 Cb 0.00 -3.54 0.00 0.00 0.00 0.00 0.00 23.12 19.58 3mop s ALA 69 CO 0.00 -0.69 0.00 0.25 0.00 0.00 0.00 175.76 175.32 3mop n THR 70 N 2.38 0.00 -0.01 0.00 -2.24 -1.26 -2.48 114.28 110.67 3mop n THR 70 Ca 0.07 0.00 0.02 0.00 -2.27 0.00 0.00 64.05 61.86 3mop n THR 70 Cb 0.41 -0.92 -0.04 0.00 -2.10 0.00 0.00 70.33 67.67 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 -0.86 0.07 0.31 2.28 3.14 -0.69 -2.83 118.33 119.74 3mop n VAL 71 Ca 0.00 -0.14 0.16 0.00 -2.96 0.00 0.00 64.34 61.41 3mop n VAL 71 Cb 0.00 0.11 0.68 0.00 -1.06 0.00 0.00 33.84 33.57 3mop n VAL 71 CO 0.00 0.00 0.00 1.56 -6.46 0.00 0.00 176.83 171.93 3mop h GLN 72 N 0.00 0.00 0.00 1.45 1.08 -1.95 -1.60 115.11 114.09 3mop h GLN 72 Ca -0.03 0.00 -0.08 0.00 -1.45 0.00 0.00 58.65 57.09 3mop h GLN 72 Cb 0.47 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.88 3mop h GLN 72 CO 0.00 0.00 -1.15 1.96 -0.95 0.00 0.00 178.83 178.69 3mop h GLN 73 N 0.00 0.00 0.08 1.46 4.20 -1.96 -2.08 115.11 116.81 3mop h GLN 73 Ca 0.00 0.00 -0.16 0.00 0.06 0.00 0.00 58.65 58.55 3mop h GLN 73 Cb 0.43 0.00 0.02 0.00 0.30 0.00 0.00 27.48 28.23 3mop h GLN 73 CO 0.00 0.14 -0.66 1.25 -0.67 0.00 0.00 178.83 178.89 3mop h LEU 74 N 0.00 0.44 0.24 1.46 7.12 -1.68 -3.06 115.31 119.83 3mop h LEU 74 Ca -0.07 -0.88 0.01 0.00 0.13 0.00 0.00 57.88 57.06 3mop h LEU 74 Cb 1.28 -0.14 -0.03 0.00 -0.53 0.00 0.00 40.66 41.24 3mop h LEU 74 CO 0.02 1.29 -0.32 0.58 -0.13 0.00 0.00 178.44 179.88 3mop h VAL 75 N -0.33 0.33 -0.49 1.05 2.07 -1.41 -2.28 116.25 115.19 3mop h VAL 75 Ca -0.11 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.49 3mop h VAL 75 Cb 1.46 0.33 -0.10 0.00 -1.52 0.00 0.00 31.29 31.46 3mop h VAL 75 CO 0.13 0.00 -0.47 0.44 0.02 0.00 0.00 177.57 177.68 3mop h ASP 76 N -0.61 -1.61 -0.05 0.57 3.32 -1.49 -0.09 116.42 116.46 3mop h ASP 76 Ca 0.00 0.24 0.00 0.00 0.02 0.00 0.00 57.03 57.29 3mop h ASP 76 Cb 0.59 0.70 0.00 0.00 0.22 0.00 0.00 39.33 40.84 3mop h ASP 76 CO -0.11 -0.36 0.00 -0.11 -1.72 0.00 0.00 179.24 176.93 3mop n LEU 77 N -5.40 0.69 -0.58 1.55 0.00 -1.16 -1.66 117.00 110.45 3mop n LEU 77 Ca -0.00 -0.35 0.08 0.00 0.00 0.00 0.00 56.01 55.74 3mop n LEU 77 Cb 0.35 -0.22 0.05 0.00 0.00 0.00 0.00 43.42 43.59 3mop n LEU 77 CO 0.00 0.15 0.43 0.18 0.00 0.00 0.00 177.39 178.16 3mop n LEU 78 N -0.19 2.17 -0.05 -1.96 4.77 -0.06 -4.22 117.00 117.46 3mop n LEU 78 Ca 0.02 -0.92 -0.11 0.00 -0.03 0.00 0.00 56.01 54.97 3mop n LEU 78 Cb 0.15 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.20 3mop n LEU 78 CO 0.02 0.39 -0.81 0.00 -1.33 0.00 0.00 177.39 175.65 3mop n ARG 80 N -3.52 0.09 0.00 0.00 1.74 -0.66 0.25 116.66 114.55 3mop n ARG 80 Ca -0.20 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 56.88 3mop n ARG 80 Cb 0.61 -1.01 0.00 0.00 -1.02 0.00 0.00 32.46 31.04 3mop n ARG 80 CO 0.00 0.00 0.00 -0.11 -1.52 0.00 0.00 177.63 176.00 3mop n LEU 81 N -0.34 0.22 -0.96 0.55 -0.00 -1.26 -4.99 117.00 110.21 3mop n LEU 81 Ca 0.00 -0.22 -0.13 0.00 -0.00 0.00 0.00 56.01 55.66 3mop n LEU 81 Cb 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 43.42 43.37 3mop n LEU 81 CO 0.00 0.06 -0.12 -0.62 -0.00 0.00 0.00 177.39 176.71 3mop n GLU 82 N -0.03 -1.10 -2.33 1.96 1.02 0.14 -4.89 120.64 115.41 3mop n GLU 82 Ca 0.00 0.92 -0.40 0.00 -0.02 0.00 0.00 57.16 57.66 3mop n GLU 82 Cb 0.31 -5.04 0.02 0.00 -0.02 0.00 0.00 31.44 26.70 3mop n GLU 82 CO 0.00 0.00 0.00 -0.11 1.18 0.00 0.00 177.13 178.20 3mop n LEU 83 N -1.43 7.45 -0.13 -4.62 0.00 -1.05 -4.71 117.00 112.50 3mop n LEU 83 Ca -0.13 -5.13 -0.00 0.00 0.00 0.00 0.00 56.01 50.75 3mop n LEU 83 Cb 0.47 -1.17 0.25 0.00 0.00 0.00 0.00 43.42 42.97 3mop n LEU 83 CO 0.19 1.97 1.10 1.88 0.00 0.00 0.00 177.39 182.53 3mop h TYR 84 N 3.91 0.81 -1.74 1.96 0.05 -1.85 -2.67 116.97 117.44 3mop h TYR 84 Ca 0.56 -0.03 0.51 0.00 0.05 0.00 0.00 58.73 59.82 3mop h TYR 84 Cb 0.27 -0.26 -0.08 0.00 1.01 0.00 0.00 36.73 37.67 3mop h TYR 84 CO 1.34 0.60 1.24 0.54 -1.05 0.00 0.00 178.16 180.83 3mop n ARG 85 N -4.36 -0.00 -0.06 4.88 1.74 -1.26 -1.72 116.66 115.88 3mop n ARG 85 Ca 0.05 0.99 -0.04 0.00 -0.77 0.00 0.00 57.85 58.08 3mop n ARG 85 Cb 0.13 -2.26 -0.01 0.00 -1.02 0.00 0.00 32.46 29.30 3mop n ARG 85 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3mop n ALA 86 N -2.80 0.42 0.25 7.54 0.00 -1.00 -4.30 120.51 120.61 3mop n ALA 86 Ca 0.40 -0.43 0.07 0.00 0.00 0.00 0.00 53.44 53.49 3mop n ALA 86 Cb 1.79 0.01 0.38 0.00 0.00 0.00 0.00 19.45 21.63 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 -1.21 1.44 -0.48 0.00 0.00 -1.51 0.16 119.26 117.66 3mop h ALA 87 Ca 0.00 0.00 0.14 0.00 0.00 0.00 0.00 54.91 55.05 3mop h ALA 87 Cb 0.48 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 3mop h ALA 87 CO 0.00 -0.44 0.35 1.96 0.00 0.00 0.00 179.25 181.12 3mop h GLN 88 N 0.00 0.00 0.14 0.00 4.20 -1.52 -2.07 115.11 115.86 3mop h GLN 88 Ca 0.00 0.00 -0.36 0.00 0.06 0.00 0.00 58.65 58.35 3mop h GLN 88 Cb 1.03 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.80 3mop h GLN 88 CO 0.00 0.00 -1.92 -0.84 -0.67 0.00 0.00 178.83 175.40 3mop h ILE 89 N 0.00 0.71 -0.20 2.54 3.07 -0.95 -3.32 117.51 119.37 3mop h ILE 89 Ca 0.23 -2.38 -0.02 0.00 1.55 0.00 0.00 64.86 64.24 3mop h ILE 89 Cb 0.92 2.58 -0.01 0.00 -0.27 0.00 0.00 36.82 40.04 3mop h ILE 89 CO -0.00 0.88 0.02 2.30 -1.05 0.00 0.00 178.15 180.30 3mop n ILE 90 N -3.53 0.96 0.13 0.16 -5.35 -0.96 -1.46 119.36 109.31 3mop n ILE 90 Ca -0.30 -0.46 0.02 0.00 -0.27 0.00 0.00 62.75 61.74 3mop n ILE 90 Cb 1.05 -0.47 -0.02 0.00 -1.74 0.00 0.00 39.64 38.45 3mop n ILE 90 CO 0.00 0.00 0.00 0.18 -1.76 0.00 0.00 176.55 174.97 3mop n LEU 91 N 0.18 0.14 -1.41 7.28 7.99 -0.82 -4.14 117.00 126.21 3mop n LEU 91 Ca 0.10 -0.40 0.00 0.00 -0.01 0.00 0.00 56.01 55.70 3mop n LEU 91 Cb 0.58 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.89 3mop n LEU 91 CO 0.11 0.03 0.77 0.59 -1.51 0.00 0.00 177.39 177.39 3mop n ASN 92 N -1.19 4.21 0.03 -1.43 3.02 -0.54 -3.57 115.26 115.79 3mop n ASN 92 Ca 0.00 -2.13 0.00 0.00 -0.03 0.00 0.00 54.58 52.42 3mop n ASN 92 Cb 0.06 -0.86 0.00 0.00 -0.61 0.00 0.00 39.78 38.37 3mop n ASN 92 CO 0.00 0.00 0.00 1.87 -2.62 0.00 0.00 177.26 176.51 3mop n TRP 93 N 1.30 -2.30 -0.51 3.10 -0.00 -1.26 -5.07 117.44 112.70 3mop n TRP 93 Ca 0.00 0.17 0.00 0.00 -0.00 0.00 0.00 57.50 57.67 3mop n TRP 93 Cb 0.44 0.86 0.00 0.00 -0.00 0.00 0.00 31.31 32.61 3mop n TRP 93 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 177.69 179.32