#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b4a h GLN 5 N 0.00 -0.06 -0.22 1.61 1.08 -2.05 0.30 115.11 115.76 1b4a h GLN 5 Ca 0.00 0.00 -0.02 0.00 -1.45 0.00 0.00 58.65 57.19 1b4a h GLN 5 Cb 0.00 0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 27.43 1b4a h GLN 5 CO 0.00 -0.04 0.08 -0.09 -0.95 0.00 0.00 178.83 177.83 1b4a h ARG 6 N -0.06 0.35 -0.39 1.46 2.43 -2.04 -1.73 114.38 114.40 1b4a h ARG 6 Ca 0.31 -0.07 -0.01 0.00 -0.81 0.00 0.00 59.98 59.39 1b4a h ARG 6 Cb 0.58 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 30.06 1b4a h ARG 6 CO -0.88 0.42 0.19 0.45 -1.51 0.00 0.00 179.97 178.64 1b4a h HIS 7 N 0.20 0.52 -0.12 2.20 3.86 -1.72 -1.58 115.15 118.50 1b4a h HIS 7 Ca 0.07 -0.01 -0.15 0.00 -1.16 0.00 0.00 60.37 59.12 1b4a h HIS 7 Cb 0.22 -0.17 -0.01 0.00 1.06 0.00 0.00 27.41 28.51 1b4a h HIS 7 CO -0.00 0.38 -0.58 0.82 0.86 0.00 0.00 177.93 179.42 1b4a h ILE 8 N 0.54 1.35 -0.15 2.45 2.04 -0.20 -2.70 117.51 120.83 1b4a h ILE 8 Ca 0.14 -1.88 -0.14 0.00 1.00 0.00 0.00 64.86 63.97 1b4a h ILE 8 Cb 0.05 1.89 -0.01 0.00 -0.74 0.00 0.00 36.82 38.01 1b4a h ILE 8 CO -0.02 0.57 -0.52 0.50 0.00 0.00 0.00 178.15 178.68 1b4a h LYS 9 N 0.30 0.43 -0.26 2.37 3.11 -0.70 -2.81 116.57 119.00 1b4a h LYS 9 Ca -0.00 -0.26 -0.06 0.00 -2.81 0.00 0.00 60.65 57.52 1b4a h LYS 9 Cb 1.10 0.02 -0.01 0.00 -1.00 0.00 0.00 32.23 32.34 1b4a h LYS 9 CO 0.10 0.84 -0.12 0.82 -2.81 0.00 0.00 179.45 178.29 1b4a h ILE 10 N 0.34 1.22 -0.43 2.00 2.04 -1.16 -0.67 117.51 120.84 1b4a h ILE 10 Ca 0.01 -0.94 -0.02 0.00 1.00 0.00 0.00 64.86 64.91 1b4a h ILE 10 Cb 1.02 1.15 -0.02 0.00 -0.74 0.00 0.00 36.82 38.23 1b4a h ILE 10 CO 0.09 0.31 0.21 0.03 0.00 0.00 0.00 178.15 178.78 1b4a h ARG 11 N 0.40 0.62 -0.20 2.37 3.08 -1.22 -1.17 114.38 118.26 1b4a h ARG 11 Ca 0.08 -0.09 -0.07 0.00 0.07 0.00 0.00 59.98 59.97 1b4a h ARG 11 Cb 0.45 -0.11 -0.00 0.00 0.08 0.00 0.00 29.97 30.39 1b4a h ARG 11 CO 0.03 0.53 -0.13 1.49 -1.07 0.00 0.00 179.97 180.82 1b4a h GLU 12 N 0.55 0.45 0.14 0.04 4.81 -1.36 -2.80 114.58 116.42 1b4a h GLU 12 Ca 0.15 -0.21 -0.00 0.00 -0.13 0.00 0.00 59.36 59.16 1b4a h GLU 12 Cb 0.12 -0.01 -0.00 0.00 0.63 0.00 0.00 28.75 29.49 1b4a h GLU 12 CO -0.02 0.76 -0.09 0.82 -0.73 0.00 0.00 179.01 179.75 1b4a h ILE 13 N 0.14 0.81 0.00 2.32 2.04 -1.01 0.37 117.51 122.17 1b4a h ILE 13 Ca 0.04 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.89 1b4a h ILE 13 Cb 0.64 0.81 -0.00 0.00 -0.74 0.00 0.00 36.82 37.53 1b4a h ILE 13 CO 0.04 0.00 -0.05 0.16 0.00 0.00 0.00 178.15 178.30 1b4a h ILE 14 N -0.23 0.14 0.00 -0.67 3.07 -1.29 -1.50 117.51 117.04 1b4a h ILE 14 Ca -0.01 -0.54 -0.30 0.00 1.55 0.00 0.00 64.86 65.56 1b4a h ILE 14 Cb 0.19 1.46 -0.05 0.00 -0.27 0.00 0.00 36.82 38.15 1b4a h ILE 14 CO 0.01 0.05 -1.92 0.23 -1.05 0.00 0.00 178.15 175.46 1b4a n MET 15 N -3.19 0.65 0.00 0.16 2.81 -1.05 -4.19 117.12 112.30 1b4a n MET 15 Ca -0.00 0.17 0.12 0.00 -1.81 0.00 0.00 57.70 56.18 1b4a n MET 15 Cb 0.29 -1.69 0.30 0.00 -0.71 0.00 0.00 33.22 31.40 1b4a n MET 15 CO 0.00 0.00 0.00 0.43 1.51 0.00 0.00 175.97 177.91 1b4a n SER 16 N -2.91 0.45 -3.75 7.83 7.64 0.13 -4.94 113.62 118.08 1b4a n SER 16 Ca -0.21 -0.18 -0.17 0.00 1.01 0.00 0.00 58.87 59.32 1b4a n SER 16 Cb 1.05 0.16 -0.09 0.00 -1.01 0.00 0.00 64.21 64.32 1b4a n SER 16 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 1b4a s ASN 17 N -2.99 1.16 -0.96 6.43 0.01 -0.58 -5.05 114.94 112.97 1b4a s ASN 17 Ca 0.12 -1.60 -0.03 0.00 -0.71 0.00 0.00 52.86 50.64 1b4a s ASN 17 Cb 0.18 0.47 0.26 0.00 0.41 0.00 0.00 41.25 42.57 1b4a s ASN 17 CO 0.68 -0.96 1.02 0.47 -1.51 0.00 0.00 177.10 176.79 1b4a n ASP 18 N -1.02 4.96 -4.61 -1.22 8.00 -1.26 -4.69 116.55 116.70 1b4a n ASP 18 Ca 0.04 -3.22 -0.43 0.00 0.71 0.00 0.00 54.79 51.90 1b4a n ASP 18 Cb 0.64 -1.13 -0.02 0.00 -0.02 0.00 0.00 41.12 40.59 1b4a n ASP 18 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1b4a s ILE 19 N -1.84 4.23 -0.34 0.53 -1.09 -1.26 -4.88 121.20 116.55 1b4a s ILE 19 Ca 0.31 1.33 0.22 0.00 -2.23 0.00 0.00 60.65 60.27 1b4a s ILE 19 Cb -0.02 -4.44 -0.30 0.00 -1.58 0.00 0.00 42.46 36.12 1b4a s ILE 19 CO -0.05 -0.76 0.63 -0.62 -1.23 0.00 0.00 174.94 172.91 1b4a n GLU 20 N 7.55 0.45 -4.10 2.79 1.02 -1.26 -1.01 120.64 126.07 1b4a n GLU 20 Ca 0.13 -0.13 -0.09 0.00 -0.02 0.00 0.00 57.16 57.05 1b4a n GLU 20 Cb 0.48 -1.52 -0.10 0.00 -0.02 0.00 0.00 31.44 30.28 1b4a n GLU 20 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 1b4a s THR 21 N -3.35 0.42 0.24 2.62 2.01 -1.26 -4.84 115.64 111.47 1b4a s THR 21 Ca -0.03 -1.67 -0.05 0.00 0.31 0.00 0.00 61.69 60.26 1b4a s THR 21 Cb 0.15 -1.33 0.12 0.00 0.01 0.00 0.00 72.50 71.45 1b4a s THR 21 CO 0.89 -0.82 1.75 -0.61 -0.69 0.00 0.00 174.62 175.14 1b4a h GLN 22 N 3.41 0.96 -0.61 4.92 4.15 -2.00 -2.47 115.11 123.48 1b4a h GLN 22 Ca -0.34 -0.23 -0.04 0.00 0.77 0.00 0.00 58.65 58.81 1b4a h GLN 22 Cb 1.16 -0.12 -0.03 0.00 0.21 0.00 0.00 27.48 28.70 1b4a h GLN 22 CO 0.60 0.88 0.23 0.22 -1.93 0.00 0.00 178.83 178.83 1b4a h ASP 23 N 0.91 0.81 -0.65 -0.69 -0.00 -1.98 -0.13 116.42 114.68 1b4a h ASP 23 Ca 0.19 -0.11 -0.02 0.00 -0.00 0.00 0.00 57.03 57.08 1b4a h ASP 23 Cb 0.39 -0.21 -0.03 0.00 -0.00 0.00 0.00 39.33 39.48 1b4a h ASP 23 CO 0.01 0.73 0.33 -0.33 -0.00 0.00 0.00 179.24 179.98 1b4a h GLU 24 N 0.87 0.96 -0.22 0.28 5.08 -1.87 0.11 114.58 119.78 1b4a h GLU 24 Ca 0.20 -0.12 -0.20 0.00 -1.00 0.00 0.00 59.36 58.24 1b4a h GLU 24 Cb 0.18 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.26 1b4a h GLU 24 CO -0.02 0.73 -0.65 1.25 -1.00 0.00 0.00 179.01 179.32 1b4a h LEU 25 N 0.95 0.94 -0.63 1.33 5.85 -1.01 -2.05 115.31 120.70 1b4a h LEU 25 Ca 0.24 -0.55 -0.06 0.00 0.84 0.00 0.00 57.88 58.34 1b4a h LEU 25 Cb 0.09 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 40.82 1b4a h LEU 25 CO -0.03 1.35 0.14 0.58 -0.34 0.00 0.00 178.44 180.14 1b4a h VAL 26 N 0.60 1.26 -0.42 1.05 2.07 -0.57 -1.42 116.25 118.82 1b4a h VAL 26 Ca -0.02 -0.95 -0.08 0.00 0.82 0.00 0.00 66.70 66.48 1b4a h VAL 26 Cb 1.27 0.67 -0.01 0.00 -1.52 0.00 0.00 31.29 31.69 1b4a h VAL 26 CO 0.14 0.36 -0.06 0.44 0.02 0.00 0.00 177.57 178.47 1b4a h ASP 27 N 0.93 0.77 -0.62 0.57 3.32 -0.76 -1.84 116.42 118.79 1b4a h ASP 27 Ca 0.20 -0.34 -0.03 0.00 0.02 0.00 0.00 57.03 56.87 1b4a h ASP 27 Cb 0.38 -0.21 -0.03 0.00 0.22 0.00 0.00 39.33 39.69 1b4a h ASP 27 CO 0.00 0.93 0.28 -0.09 -1.72 0.00 0.00 179.24 178.64 1b4a h ARG 28 N 0.60 0.94 -0.31 3.56 9.65 -1.21 -1.71 114.38 125.89 1b4a h ARG 28 Ca 0.11 -0.14 -0.16 0.00 -1.10 0.00 0.00 59.98 58.69 1b4a h ARG 28 Cb 0.57 -0.17 -0.01 0.00 -1.39 0.00 0.00 29.97 28.97 1b4a h ARG 28 CO 0.03 0.75 -0.45 -0.07 2.80 0.00 0.00 179.97 183.03 1b4a h LEU 29 N 0.93 0.86 -0.73 3.80 3.38 -1.10 -2.29 115.31 120.15 1b4a h LEU 29 Ca 0.22 -0.41 -0.11 0.00 0.09 0.00 0.00 57.88 57.67 1b4a h LEU 29 Cb 0.14 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 1b4a h LEU 29 CO -0.02 1.17 -0.21 0.03 0.09 0.00 0.00 178.44 179.50 1b4a h ARG 30 N 0.63 0.75 -0.54 1.13 -0.00 -1.05 -0.50 114.38 114.80 1b4a h ARG 30 Ca 0.04 -0.29 -0.06 0.00 -0.50 0.00 0.00 59.98 59.17 1b4a h ARG 30 Cb 1.02 -0.04 -0.02 0.00 0.00 0.00 0.00 29.97 30.92 1b4a h ARG 30 CO 0.10 0.90 0.09 1.49 0.00 0.00 0.00 179.97 182.55 1b4a h GLU 31 N 0.66 0.86 0.00 0.04 4.81 -1.27 -2.26 114.58 117.42 1b4a h GLU 31 Ca 0.09 -0.20 0.00 0.00 -0.13 0.00 0.00 59.36 59.13 1b4a h GLU 31 Cb 0.71 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 29.97 1b4a h GLU 31 CO 0.05 0.80 0.00 0.00 -0.73 0.00 0.00 179.01 179.13 1b4a n ALA 32 N -2.47 2.28 0.00 2.92 0.00 -0.87 -4.86 120.51 117.51 1b4a n ALA 32 Ca 0.04 -0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.35 1b4a n ALA 32 Cb 0.25 -1.38 0.00 0.00 0.00 0.00 0.00 19.45 18.32 1b4a n ALA 32 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1b4a n GLY 33 N 0.58 0.92 3.42 0.00 0.00 -0.85 -5.07 105.19 104.18 1b4a n GLY 33 Ca 0.14 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.75 1b4a n GLY 33 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1b4a s PHE 34 N -2.00 3.24 -0.67 1.61 0.40 -0.23 -5.00 117.98 115.32 1b4a s PHE 34 Ca 0.00 -0.76 -0.22 0.00 -0.60 0.00 0.00 56.93 55.35 1b4a s PHE 34 Cb 0.00 -2.49 0.08 0.00 0.51 0.00 0.00 43.02 41.12 1b4a s PHE 34 CO 0.00 -0.60 0.95 1.21 0.70 0.00 0.00 175.22 177.48 1b4a s ASN 35 N 1.61 6.21 0.24 1.36 3.84 -1.26 -3.27 114.94 123.66 1b4a s ASN 35 Ca 0.03 -1.11 0.10 0.00 0.21 0.00 0.00 52.86 52.09 1b4a s ASN 35 Cb -0.19 -2.41 -0.04 0.00 -0.55 0.00 0.00 41.25 38.06 1b4a s ASN 35 CO 0.08 -1.38 -0.07 0.68 -2.79 0.00 0.00 177.10 173.62 1b4a s VAL 36 N 3.83 3.20 0.22 -5.21 -7.23 -1.26 -5.11 120.40 108.83 1b4a s VAL 36 Ca 0.22 -1.92 0.05 0.00 -1.81 0.00 0.00 61.98 58.52 1b4a s VAL 36 Cb -0.17 -2.66 -0.03 0.00 0.56 0.00 0.00 36.38 34.07 1b4a s VAL 36 CO 0.08 -0.30 0.28 0.42 -0.31 0.00 0.00 175.10 175.27 1b4a s THR 37 N -2.16 4.97 0.52 5.32 -4.23 -1.26 -4.99 115.64 113.80 1b4a s THR 37 Ca 0.29 -1.06 0.21 0.00 -1.18 0.00 0.00 61.69 59.95 1b4a s THR 37 Cb -0.07 -3.66 0.35 0.00 1.34 0.00 0.00 72.50 70.46 1b4a s THR 37 CO 0.18 -0.27 2.04 1.56 -0.54 0.00 0.00 174.62 177.59 1b4a h GLN 38 N 1.56 0.05 -0.23 3.99 1.08 -1.99 -2.03 115.11 117.54 1b4a h GLN 38 Ca -0.50 -0.00 -0.12 0.00 -1.45 0.00 0.00 58.65 56.57 1b4a h GLN 38 Cb 1.22 -0.01 -0.00 0.00 -0.05 0.00 0.00 27.48 28.64 1b4a h GLN 38 CO 0.62 0.03 -0.35 0.00 -0.95 0.00 0.00 178.83 178.19 1b4a h ALA 39 N 1.81 0.35 -0.21 3.87 0.00 -1.99 -2.11 119.26 120.98 1b4a h ALA 39 Ca 0.18 -0.43 -0.01 0.00 0.00 0.00 0.00 54.91 54.65 1b4a h ALA 39 Cb 0.64 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 1b4a h ALA 39 CO -0.01 0.40 0.10 1.15 0.00 0.00 0.00 179.25 180.90 1b4a h THR 40 N 0.33 1.13 -0.38 0.00 2.02 -1.78 -1.88 112.91 112.35 1b4a h THR 40 Ca 0.02 -0.38 -0.04 0.00 0.77 0.00 0.00 66.41 66.79 1b4a h THR 40 Cb 0.93 1.00 -0.02 0.00 -1.74 0.00 0.00 68.15 68.32 1b4a h THR 40 CO 0.08 0.13 0.08 0.58 0.37 0.00 0.00 175.52 176.75 1b4a h VAL 41 N 0.21 1.18 -0.39 3.16 2.07 -1.49 0.49 116.25 121.49 1b4a h VAL 41 Ca 0.07 -0.66 -0.08 0.00 0.82 0.00 0.00 66.70 66.86 1b4a h VAL 41 Cb 0.11 0.81 -0.02 0.00 -1.52 0.00 0.00 31.29 30.68 1b4a h VAL 41 CO -0.01 0.24 -0.08 -1.28 0.02 0.00 0.00 177.57 176.46 1b4a h SER 42 N 0.55 0.64 -0.19 0.57 0.87 -1.01 -1.49 113.55 113.49 1b4a h SER 42 Ca 0.13 -0.17 -0.21 0.00 -1.23 0.00 0.00 61.79 60.31 1b4a h SER 42 Cb 0.24 -0.17 0.01 0.00 -0.44 0.00 0.00 62.40 62.04 1b4a h SER 42 CO -0.00 0.76 -0.69 -0.09 -0.53 0.00 0.00 176.83 176.28 1b4a h ARG 43 N 0.61 0.81 -0.62 2.24 2.43 -0.59 -3.11 114.38 116.14 1b4a h ARG 43 Ca 0.11 -0.61 0.04 0.00 -0.81 0.00 0.00 59.98 58.72 1b4a h ARG 43 Cb 0.50 0.11 -0.05 0.00 -0.42 0.00 0.00 29.97 30.12 1b4a h ARG 43 CO 0.03 1.23 0.36 -0.44 -1.51 0.00 0.00 179.97 179.63 1b4a h ASP 44 N 0.55 0.55 -0.91 -3.80 5.19 -0.50 0.15 116.42 117.65 1b4a h ASP 44 Ca -0.03 0.02 0.05 0.00 -0.62 0.00 0.00 57.03 56.45 1b4a h ASP 44 Cb 1.31 -0.09 -0.06 0.00 0.18 0.00 0.00 39.33 40.68 1b4a h ASP 44 CO 0.15 0.37 0.60 0.40 -3.12 0.00 0.00 179.24 177.63 1b4a h ILE 45 N 0.68 1.12 -0.08 0.35 2.04 -1.27 0.97 117.51 121.31 1b4a h ILE 45 Ca 0.27 -0.38 -0.11 0.00 1.00 0.00 0.00 64.86 65.64 1b4a h ILE 45 Cb 0.11 -0.08 0.00 0.00 -0.74 0.00 0.00 36.82 36.12 1b4a h ILE 45 CO -0.15 0.20 -0.37 0.11 0.00 0.00 0.00 178.15 177.94 1b4a h LYS 46 N 1.10 0.40 -0.81 2.37 1.57 -1.23 -1.48 116.57 118.49 1b4a h LYS 46 Ca 0.37 -0.32 -0.02 0.00 -1.87 0.00 0.00 60.65 58.82 1b4a h LYS 46 Cb 0.09 0.06 -0.04 0.00 0.08 0.00 0.00 32.23 32.43 1b4a h LYS 46 CO -0.13 0.95 0.43 0.93 -0.57 0.00 0.00 179.45 181.06 1b4a h GLU 47 N -0.06 1.14 -0.00 3.15 5.08 -0.26 -1.68 114.58 121.95 1b4a h GLU 47 Ca -0.02 -0.14 0.00 0.00 -1.00 0.00 0.00 59.36 58.19 1b4a h GLU 47 Cb 1.01 -0.22 0.00 0.00 0.50 0.00 0.00 28.75 30.05 1b4a h GLU 47 CO 0.08 0.85 -0.05 -1.33 -1.00 0.00 0.00 179.01 177.56 1b4a n MET 48 N -4.39 0.66 -4.03 2.33 2.81 0.29 -4.90 117.12 109.89 1b4a n MET 48 Ca 0.08 -0.12 -0.32 0.00 -1.81 0.00 0.00 57.70 55.53 1b4a n MET 48 Cb 0.11 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.12 1b4a n MET 48 CO 0.00 0.00 0.00 1.04 1.51 0.00 0.00 175.97 178.52 1b4a n GLN 49 N -1.07 -4.40 -0.95 0.03 6.02 -0.63 -4.71 117.38 111.66 1b4a n GLN 49 Ca 0.16 0.50 -0.33 0.00 -0.01 0.00 0.00 57.00 57.31 1b4a n GLN 49 Cb 0.24 -5.25 0.13 0.00 1.02 0.00 0.00 30.24 26.38 1b4a n GLN 49 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1b4a n LEU 50 N -4.53 2.56 -4.26 1.08 4.77 -0.63 -4.17 117.00 111.83 1b4a n LEU 50 Ca 0.01 0.49 -0.14 0.00 -0.03 0.00 0.00 56.01 56.34 1b4a n LEU 50 Cb 0.53 -1.39 -0.10 0.00 -2.33 0.00 0.00 43.42 40.13 1b4a n LEU 50 CO 0.79 -2.47 -0.29 -0.69 -1.33 0.00 0.00 177.39 173.40 1b4a s VAL 51 N -2.28 0.54 -0.19 4.08 1.01 -0.31 -4.90 120.40 118.35 1b4a s VAL 51 Ca 0.67 -1.98 -0.03 0.00 0.00 0.00 0.00 61.98 60.64 1b4a s VAL 51 Cb -0.27 -2.33 -0.01 0.00 0.00 0.00 0.00 36.38 33.78 1b4a s VAL 51 CO 0.57 -0.27 -0.07 -0.54 0.00 0.00 0.00 175.10 174.79 1b4a s LYS 52 N -3.99 3.39 0.05 2.72 -0.14 -1.26 -0.65 119.74 119.86 1b4a s LYS 52 Ca 0.30 -0.64 0.09 0.00 -1.36 0.00 0.00 55.97 54.36 1b4a s LYS 52 Cb 0.07 -2.89 -0.03 0.00 -1.68 0.00 0.00 37.83 33.30 1b4a s LYS 52 CO 0.08 -0.06 -0.26 0.14 -0.76 0.00 0.00 175.35 174.49 1b4a s VAL 53 N 1.10 2.20 0.38 3.17 -7.23 0.36 -4.86 120.40 115.51 1b4a s VAL 53 Ca 0.01 -1.39 -0.27 0.00 -1.81 0.00 0.00 61.98 58.52 1b4a s VAL 53 Cb -0.15 -1.87 -0.09 0.00 0.56 0.00 0.00 36.38 34.84 1b4a s VAL 53 CO -0.01 0.36 1.32 -2.16 -0.31 0.00 0.00 175.10 174.29 1b4a s PRO 54 N -1.28 4.11 0.20 4.82 0.04 -1.26 -0.53 135.00 141.09 1b4a s PRO 54 Ca 0.12 2.21 0.03 0.00 0.04 0.00 0.00 61.00 63.40 1b4a s PRO 54 Cb -0.10 -2.88 0.03 0.00 0.04 0.00 0.00 34.50 31.59 1b4a s PRO 54 CO 0.02 -0.40 0.26 -1.33 0.04 0.00 0.00 177.00 175.60 1b4a n MET 55 N 0.38 0.92 0.22 4.56 2.81 0.18 -4.89 117.12 121.31 1b4a n MET 55 Ca 0.02 -1.11 -0.16 0.00 -1.81 0.00 0.00 57.70 54.65 1b4a n MET 55 Cb 0.43 -0.05 -0.08 0.00 -0.71 0.00 0.00 33.22 32.81 1b4a n MET 55 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1b4a h ALA 56 N 0.42 -0.79 -0.03 3.04 0.00 -1.97 -3.02 119.26 116.92 1b4a h ALA 56 Ca -0.10 -0.12 -0.07 0.00 0.00 0.00 0.00 54.91 54.62 1b4a h ALA 56 Cb 0.44 0.54 -0.01 0.00 0.00 0.00 0.00 17.79 18.75 1b4a h ALA 56 CO 0.14 -0.98 -0.29 -2.95 0.00 0.00 0.00 179.25 175.17 1b4a h ASN 57 N -0.75 0.05 0.00 0.00 -0.00 -2.04 -3.46 115.58 109.38 1b4a h ASN 57 Ca -0.02 -0.01 0.00 0.00 -0.00 0.00 0.00 56.30 56.26 1b4a h ASN 57 Cb 0.68 -0.01 0.00 0.00 -0.00 0.00 0.00 38.32 38.99 1b4a h ASN 57 CO -0.07 0.34 0.00 0.61 -0.00 0.00 0.00 177.43 178.31 1b4a n GLY 58 N -0.65 0.78 3.92 9.14 0.00 -1.14 -5.12 105.19 112.12 1b4a n GLY 58 Ca -0.02 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.74 1b4a n GLY 58 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1b4a s ARG 59 N 0.00 2.49 0.16 1.61 0.52 -1.26 -4.73 118.95 117.74 1b4a s ARG 59 Ca 0.00 -0.14 0.11 0.00 -0.52 0.00 0.00 55.73 55.18 1b4a s ARG 59 Cb 0.00 -2.20 -0.04 0.00 0.52 0.00 0.00 34.95 33.22 1b4a s ARG 59 CO 0.00 -1.03 -0.24 0.71 0.02 0.00 0.00 175.30 174.76 1b4a s TYR 60 N -3.15 2.34 0.06 -0.53 1.51 -1.26 0.52 117.35 116.83 1b4a s TYR 60 Ca 0.58 -0.35 0.01 0.00 -1.01 0.00 0.00 57.07 56.29 1b4a s TYR 60 Cb -0.11 -1.22 -0.03 0.00 -0.11 0.00 0.00 41.96 40.49 1b4a s TYR 60 CO 0.45 0.41 -0.06 -1.59 -1.11 0.00 0.00 175.55 173.66 1b4a s LYS 61 N -2.34 0.62 0.69 -0.62 -2.85 0.31 -4.50 119.74 111.04 1b4a s LYS 61 Ca 0.17 -1.03 -0.15 0.00 -1.00 0.00 0.00 55.97 53.97 1b4a s LYS 61 Cb -0.09 -0.10 0.02 0.00 -2.06 0.00 0.00 37.83 35.59 1b4a s LYS 61 CO 0.08 -0.02 1.16 0.71 0.10 0.00 0.00 175.35 177.38 1b4a s TYR 62 N -2.68 2.35 0.05 1.78 4.12 -0.18 -0.49 117.35 122.30 1b4a s TYR 62 Ca 0.00 1.58 -0.28 0.00 0.02 0.00 0.00 57.07 58.39 1b4a s TYR 62 Cb -0.01 -3.32 0.09 0.00 -1.52 0.00 0.00 41.96 37.20 1b4a s TYR 62 CO -0.04 -2.12 1.02 0.45 0.02 0.00 0.00 175.55 174.88 1b4a s SER 63 N -2.27 -0.20 0.30 2.29 0.15 0.18 -4.80 113.70 109.34 1b4a s SER 63 Ca 0.71 -0.21 -0.29 0.00 0.70 0.00 0.00 55.95 56.86 1b4a s SER 63 Cb -0.25 0.37 -0.10 0.00 -1.71 0.00 0.00 66.02 64.33 1b4a s SER 63 CO 0.42 -0.66 1.24 -0.76 1.20 0.00 0.00 173.24 174.69 1b4a s LEU 64 N -2.76 4.46 0.50 3.45 1.02 -1.26 -1.17 118.68 122.93 1b4a s LEU 64 Ca 0.10 2.53 0.27 0.00 0.02 0.00 0.00 54.13 57.06 1b4a s LEU 64 Cb -0.00 -3.64 1.36 0.00 0.02 0.00 0.00 46.19 43.93 1b4a s LEU 64 CO -0.03 -0.41 1.87 1.55 0.02 0.00 0.00 176.35 179.35 1b4a h PRO 65 N 3.75 0.13 0.00 1.29 0.13 -1.85 0.72 132.00 136.18 1b4a h PRO 65 Ca -0.48 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 1b4a h PRO 65 Cb 1.22 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1b4a h PRO 65 CO 0.67 0.09 0.00 0.43 -0.23 0.00 0.00 178.00 178.96 1b4a n SER 66 N -4.35 0.00 -4.66 1.44 7.64 -1.26 -4.85 113.62 107.57 1b4a n SER 66 Ca 0.20 -1.31 -0.47 0.00 1.01 0.00 0.00 58.87 58.30 1b4a n SER 66 Cb 0.91 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 64.06 1b4a n SER 66 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 1b4a n ASP 67 N -0.69 3.01 0.31 6.43 -0.08 0.24 -4.82 116.55 120.96 1b4a n ASP 67 Ca 0.07 1.07 0.19 0.00 -1.51 0.00 0.00 54.79 54.62 1b4a n ASP 67 Cb 0.03 -1.40 1.00 0.00 2.34 0.00 0.00 41.12 43.09 1b4a n ASP 67 CO 0.00 0.00 0.00 1.56 0.12 0.00 0.00 177.20 178.88 1b4a h GLN 68 N 6.16 0.00 -0.47 -0.67 4.20 -1.90 -2.27 115.11 120.17 1b4a h GLN 68 Ca -0.45 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.26 1b4a h GLN 68 Cb 1.26 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.04 1b4a h GLN 68 CO 0.89 0.00 0.00 2.89 -0.67 0.00 0.00 178.83 181.94 1b4a n ARG 69 N -3.21 3.51 0.00 1.46 1.85 -1.26 -4.44 116.66 114.56 1b4a n ARG 69 Ca -0.02 -2.77 0.00 0.00 -1.00 0.00 0.00 57.85 54.07 1b4a n ARG 69 Cb 0.22 -1.82 0.00 0.00 -1.05 0.00 0.00 32.46 29.81 1b4a n ARG 69 CO 0.00 0.00 0.00 0.34 -0.01 0.00 0.00 177.63 177.96 1b4a n PHE 70 N 0.45 0.00 -3.71 2.89 -0.00 -0.85 -4.70 117.46 111.55 1b4a n PHE 70 Ca 0.22 0.00 -0.36 0.00 -0.00 0.00 0.00 57.45 57.31 1b4a n PHE 70 Cb 0.85 0.00 -0.09 0.00 -0.00 0.00 0.00 39.48 40.24 1b4a n PHE 70 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 176.76 177.97 1b4a s ASN 71 N -1.15 5.37 0.27 -2.13 2.47 -1.26 -4.95 114.94 113.56 1b4a s ASN 71 Ca 0.00 -3.11 -0.04 0.00 0.42 0.00 0.00 52.86 50.13 1b4a s ASN 71 Cb 0.00 -1.85 0.34 0.00 -1.45 0.00 0.00 41.25 38.29 1b4a s ASN 71 CO 0.00 -0.31 1.94 -0.65 -3.72 0.00 0.00 177.10 174.36 1b4a h PRO 72 N 6.70 1.22 -0.38 0.43 0.11 -1.84 -2.76 132.00 135.49 1b4a h PRO 72 Ca 0.03 -0.07 -0.01 0.00 0.11 0.00 0.00 66.00 66.06 1b4a h PRO 72 Cb 0.91 -0.28 -0.02 0.00 0.11 0.00 0.00 31.00 31.73 1b4a h PRO 72 CO 0.74 0.81 0.18 1.25 -0.21 0.00 0.00 178.00 180.78 1b4a h LEU 73 N 1.26 0.49 -0.44 2.35 5.85 -1.92 -0.56 115.31 122.34 1b4a h LEU 73 Ca 0.35 -0.12 -0.01 0.00 0.84 0.00 0.00 57.88 58.94 1b4a h LEU 73 Cb -0.13 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 40.75 1b4a h LEU 73 CO -0.08 0.48 0.25 -0.61 -0.34 0.00 0.00 178.44 178.14 1b4a h GLN 74 N 0.47 0.61 -0.39 1.25 4.15 -1.98 -1.30 115.11 117.92 1b4a h GLN 74 Ca 0.13 -0.07 -0.04 0.00 0.77 0.00 0.00 58.65 59.44 1b4a h GLN 74 Cb 0.11 -0.12 -0.02 0.00 0.21 0.00 0.00 27.48 27.66 1b4a h GLN 74 CO -0.02 0.47 0.07 0.87 -1.93 0.00 0.00 178.83 178.30 1b4a h LYS 75 N 0.58 0.58 -0.20 1.69 1.57 -1.30 -1.72 116.57 117.77 1b4a h LYS 75 Ca 0.16 -0.11 -0.04 0.00 -1.87 0.00 0.00 60.65 58.79 1b4a h LYS 75 Cb 0.03 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.24 1b4a h LYS 75 CO -0.03 0.55 -0.02 1.25 -0.57 0.00 0.00 179.45 180.64 1b4a h LEU 76 N 0.57 0.37 -0.32 2.94 6.46 -0.60 0.40 115.31 125.13 1b4a h LEU 76 Ca 0.13 -0.33 0.05 0.00 -0.12 0.00 0.00 57.88 57.60 1b4a h LEU 76 Cb 0.25 -0.10 -0.05 0.00 -0.73 0.00 0.00 40.66 40.04 1b4a h LEU 76 CO 0.00 0.62 0.04 0.50 -0.62 0.00 0.00 178.44 178.98 1b4a h LYS 77 N 0.12 0.14 -0.50 1.25 3.11 -0.93 0.15 116.57 119.91 1b4a h LYS 77 Ca 0.06 -0.01 -0.00 0.00 -2.81 0.00 0.00 60.65 57.89 1b4a h LYS 77 Cb 0.44 -0.03 -0.02 0.00 -1.00 0.00 0.00 32.23 31.61 1b4a h LYS 77 CO 0.01 0.09 0.31 -0.09 -2.81 0.00 0.00 179.45 176.96 1b4a h ARG 78 N 0.14 0.67 -0.12 1.90 2.43 -1.19 -2.30 114.38 115.90 1b4a h ARG 78 Ca 0.15 -0.05 -0.02 0.00 -0.81 0.00 0.00 59.98 59.25 1b4a h ARG 78 Cb 0.18 -0.14 -0.00 0.00 -0.42 0.00 0.00 29.97 29.58 1b4a h ARG 78 CO -0.22 0.47 -0.00 0.00 -1.51 0.00 0.00 179.97 178.71 1b4a h ALA 79 N 1.15 0.16 -0.21 2.80 0.00 -0.43 -3.02 119.26 119.72 1b4a h ALA 79 Ca 0.18 -0.19 0.03 0.00 0.00 0.00 0.00 54.91 54.93 1b4a h ALA 79 Cb -0.03 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 1b4a h ALA 79 CO -0.04 -0.14 0.02 -0.07 0.00 0.00 0.00 179.25 179.03 1b4a h LEU 80 N -0.06 -0.03 -2.50 0.00 3.38 -0.64 0.41 115.31 115.87 1b4a h LEU 80 Ca 0.03 0.04 0.01 0.00 0.09 0.00 0.00 57.88 58.06 1b4a h LEU 80 Cb 0.37 0.06 -0.00 0.00 0.09 0.00 0.00 40.66 41.18 1b4a h LEU 80 CO 0.01 0.02 0.08 1.62 0.09 0.00 0.00 178.44 180.25 1b4a h VAL 81 N 0.10 0.34 0.07 1.22 3.04 -1.45 0.11 116.25 119.69 1b4a h VAL 81 Ca 0.10 0.00 -0.35 0.00 -1.01 0.00 0.00 66.70 65.44 1b4a h VAL 81 Cb 0.11 0.93 -0.03 0.00 -2.01 0.00 0.00 31.29 30.28 1b4a h VAL 81 CO -0.15 0.00 -1.97 0.47 -1.01 0.00 0.00 177.57 174.91 1b4a n ASP 82 N -3.57 2.04 -0.09 3.17 10.43 -0.44 -4.66 116.55 123.43 1b4a n ASP 82 Ca -0.02 0.20 0.05 0.00 2.57 0.00 0.00 54.79 57.59 1b4a n ASP 82 Cb 0.17 -0.81 -0.03 0.00 1.84 0.00 0.00 41.12 42.29 1b4a n ASP 82 CO 0.00 0.00 0.00 1.33 -1.07 0.00 0.00 177.20 177.46 1b4a n VAL 83 N -3.68 0.00 -1.72 2.53 0.24 0.00 -4.93 118.33 110.77 1b4a n VAL 83 Ca -0.36 -0.32 -0.40 0.00 -2.04 0.00 0.00 64.34 61.23 1b4a n VAL 83 Cb 0.96 1.05 0.03 0.00 -1.47 0.00 0.00 33.84 34.41 1b4a n VAL 83 CO 0.00 0.00 0.00 0.33 -2.14 0.00 0.00 176.83 175.02 1b4a n PHE 84 N -0.84 2.19 0.06 6.34 7.35 0.39 -1.03 117.46 131.92 1b4a n PHE 84 Ca 0.03 0.46 0.00 0.00 -0.76 0.00 0.00 57.45 57.17 1b4a n PHE 84 Cb 0.18 -2.37 0.00 0.00 0.35 0.00 0.00 39.48 37.64 1b4a n PHE 84 CO 0.00 0.00 0.00 -0.89 -0.76 0.00 0.00 176.76 175.11 1b4a n ILE 85 N -0.67 0.36 -3.60 -2.13 5.41 -0.51 -4.81 119.36 113.41 1b4a n ILE 85 Ca 0.08 0.12 -0.13 0.00 1.00 0.00 0.00 62.75 63.83 1b4a n ILE 85 Cb 0.43 -1.02 -0.05 0.00 -0.71 0.00 0.00 39.64 38.28 1b4a n ILE 85 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 176.55 174.96 1b4a s LYS 86 N -2.00 1.03 -0.03 0.38 -2.85 -1.10 -5.01 119.74 110.16 1b4a s LYS 86 Ca 0.00 -0.37 0.00 0.00 -1.00 0.00 0.00 55.97 54.60 1b4a s LYS 86 Cb 0.00 0.46 0.03 0.00 -2.06 0.00 0.00 37.83 36.26 1b4a s LYS 86 CO 0.00 -0.38 0.01 -1.17 0.10 0.00 0.00 175.35 173.91 1b4a s LEU 87 N -2.18 1.06 0.26 2.77 2.96 -1.26 -0.46 118.68 121.82 1b4a s LEU 87 Ca -0.03 -0.01 0.01 0.00 -0.22 0.00 0.00 54.13 53.88 1b4a s LEU 87 Cb -0.00 -0.21 -0.04 0.00 0.50 0.00 0.00 46.19 46.43 1b4a s LEU 87 CO -0.05 -0.12 0.13 -1.81 -1.32 0.00 0.00 176.35 173.18 1b4a s ASP 88 N 1.15 1.07 -0.17 3.68 -0.00 -0.43 -5.00 116.67 116.97 1b4a s ASP 88 Ca -0.08 -1.45 -0.35 0.00 -0.00 0.00 0.00 52.55 50.67 1b4a s ASP 88 Cb -0.13 0.29 0.15 0.00 -0.00 0.00 0.00 42.92 43.23 1b4a s ASP 88 CO -0.02 -0.81 1.41 -0.83 -0.00 0.00 0.00 175.17 174.92 1b4a s GLY 89 N -3.30 -0.37 -0.19 0.21 0.00 -1.26 -0.04 107.32 102.37 1b4a s GLY 89 Ca 0.37 1.34 -0.13 0.00 0.00 0.00 0.00 44.72 46.31 1b4a s GLY 89 CO 0.15 0.37 0.47 -1.08 0.00 0.00 0.00 173.10 173.00 1b4a s THR 90 N -2.05 -0.01 0.00 0.90 -1.32 -0.80 -5.01 115.64 107.34 1b4a s THR 90 Ca 0.14 0.05 0.00 0.00 -1.21 0.00 0.00 61.69 60.66 1b4a s THR 90 Cb 0.04 -0.68 0.00 0.00 -1.51 0.00 0.00 72.50 70.35 1b4a s THR 90 CO -0.05 0.02 0.00 0.61 -2.21 0.00 0.00 174.62 172.99 1b4a n GLY 91 N 3.75 3.99 1.70 6.08 0.00 -1.26 -1.39 105.19 118.05 1b4a n GLY 91 Ca -0.19 0.03 0.08 0.00 0.00 0.00 0.00 46.02 45.94 1b4a n GLY 91 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1b4a n ASN 92 N 7.22 5.19 -4.54 1.61 2.04 -1.26 -4.30 115.26 121.22 1b4a n ASN 92 Ca 0.00 -2.71 -0.31 0.00 -0.44 0.00 0.00 54.58 51.12 1b4a n ASN 92 Cb 0.00 -0.63 -0.11 0.00 -2.53 0.00 0.00 39.78 36.51 1b4a n ASN 92 CO 0.00 0.00 0.00 -0.76 -0.44 0.00 0.00 177.26 176.06 1b4a s LEU 93 N -2.33 2.95 -0.05 -4.53 1.43 -0.49 -1.55 118.68 114.11 1b4a s LEU 93 Ca 0.52 -0.30 0.02 0.00 -1.03 0.00 0.00 54.13 53.34 1b4a s LEU 93 Cb 0.37 -1.72 0.02 0.00 0.03 0.00 0.00 46.19 44.88 1b4a s LEU 93 CO 0.20 0.24 -0.08 -0.76 0.23 0.00 0.00 176.35 176.18 1b4a s LEU 94 N -1.64 1.49 -0.24 1.79 1.02 -0.60 -1.91 118.68 118.58 1b4a s LEU 94 Ca 0.17 -0.20 -0.02 0.00 0.02 0.00 0.00 54.13 54.10 1b4a s LEU 94 Cb -0.11 -0.60 0.02 0.00 0.02 0.00 0.00 46.19 45.52 1b4a s LEU 94 CO 0.08 -0.01 -0.06 -0.69 0.02 0.00 0.00 176.35 175.70 1b4a s VAL 95 N 0.77 2.98 -0.17 -1.59 1.01 0.94 -0.47 120.40 123.86 1b4a s VAL 95 Ca -0.13 -0.93 -0.05 0.00 0.00 0.00 0.00 61.98 60.88 1b4a s VAL 95 Cb -0.15 -2.48 -0.03 0.00 0.00 0.00 0.00 36.38 33.72 1b4a s VAL 95 CO 0.02 0.23 -0.01 -0.22 0.00 0.00 0.00 175.10 175.12 1b4a s LEU 96 N 1.36 3.32 -0.11 3.92 2.96 -0.08 -1.31 118.68 128.73 1b4a s LEU 96 Ca 0.01 -0.13 -0.03 0.00 -0.22 0.00 0.00 54.13 53.76 1b4a s LEU 96 Cb -0.16 -1.82 -0.03 0.00 0.50 0.00 0.00 46.19 44.68 1b4a s LEU 96 CO -0.04 0.14 0.01 -0.13 -1.32 0.00 0.00 176.35 175.01 1b4a s ARG 97 N 0.56 3.25 0.40 1.98 0.52 0.39 -0.58 118.95 125.46 1b4a s ARG 97 Ca -0.02 -0.40 0.04 0.00 -0.52 0.00 0.00 55.73 54.83 1b4a s ARG 97 Cb -0.14 -2.89 -0.03 0.00 0.52 0.00 0.00 34.95 32.41 1b4a s ARG 97 CO 0.02 0.58 0.13 0.95 0.02 0.00 0.00 175.30 177.00 1b4a s THR 98 N -0.53 0.60 0.71 0.02 -4.23 -0.08 -1.43 115.64 110.71 1b4a s THR 98 Ca 0.09 -2.00 -0.16 0.00 -1.18 0.00 0.00 61.69 58.44 1b4a s THR 98 Cb -0.12 -2.39 0.03 0.00 1.34 0.00 0.00 72.50 71.36 1b4a s THR 98 CO 0.02 0.00 1.23 -0.76 -0.54 0.00 0.00 174.62 174.57 1b4a s LEU 99 N -3.58 3.37 0.05 4.79 1.02 -0.19 -4.76 118.68 119.38 1b4a s LEU 99 Ca 0.26 2.44 -0.37 0.00 0.02 0.00 0.00 54.13 56.47 1b4a s LEU 99 Cb 0.03 -4.60 -0.17 0.00 0.02 0.00 0.00 46.19 41.47 1b4a s LEU 99 CO 0.15 -2.23 1.35 -2.65 0.02 0.00 0.00 176.35 172.98 1b4a n PRO 100 N -2.54 1.05 -1.81 1.29 -0.02 -1.26 -2.40 135.00 129.31 1b4a n PRO 100 Ca 0.14 0.38 -0.10 0.00 -2.02 0.00 0.00 63.50 61.90 1b4a n PRO 100 Cb 0.50 -2.01 -0.02 0.00 -0.02 0.00 0.00 33.50 31.94 1b4a n PRO 100 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1b4a n GLY 101 N 2.56 0.46 0.02 -1.23 0.00 -0.65 -4.90 105.19 101.44 1b4a n GLY 101 Ca 0.19 -0.52 0.01 0.00 0.00 0.00 0.00 46.02 45.70 1b4a n GLY 101 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1b4a n ASN 102 N 0.23 0.38 -0.09 1.61 3.02 -1.01 -4.74 115.26 114.66 1b4a n ASN 102 Ca -0.11 -0.69 -0.07 0.00 -0.03 0.00 0.00 54.58 53.68 1b4a n ASN 102 Cb 0.48 0.73 0.00 0.00 -0.61 0.00 0.00 39.78 40.38 1b4a n ASN 102 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1b4a h ALA 103 N 0.30 0.37 -0.21 5.41 0.00 -1.71 -2.98 119.26 120.45 1b4a h ALA 103 Ca 0.00 0.03 0.05 0.00 0.00 0.00 0.00 54.91 54.98 1b4a h ALA 103 Cb 0.06 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 17.79 1b4a h ALA 103 CO 0.00 -0.27 -0.09 1.25 0.00 0.00 0.00 179.25 180.15 1b4a h HIS 104 N 0.27 -0.20 -0.42 0.00 -0.00 -1.80 -1.39 115.15 111.61 1b4a h HIS 104 Ca 0.14 0.02 0.09 0.00 -0.00 0.00 0.00 60.37 60.62 1b4a h HIS 104 Cb 0.09 0.12 -0.09 0.00 -0.00 0.00 0.00 27.41 27.53 1b4a h HIS 104 CO -0.12 -0.14 -0.24 0.00 -0.00 0.00 0.00 177.93 177.43 1b4a h ALA 105 N 1.13 0.03 -0.58 5.26 0.00 -1.84 -0.43 119.26 122.83 1b4a h ALA 105 Ca 0.11 0.14 -0.05 0.00 0.00 0.00 0.00 54.91 55.10 1b4a h ALA 105 Cb 0.22 0.55 -0.03 0.00 0.00 0.00 0.00 17.79 18.54 1b4a h ALA 105 CO -0.25 -0.61 0.15 0.82 0.00 0.00 0.00 179.25 179.37 1b4a h ILE 106 N -0.16 1.23 -0.91 0.00 1.08 -1.39 -2.41 117.51 114.96 1b4a h ILE 106 Ca 0.20 -0.83 0.01 0.00 -0.39 0.00 0.00 64.86 63.84 1b4a h ILE 106 Cb 0.47 0.63 -0.04 0.00 -3.07 0.00 0.00 36.82 34.81 1b4a h ILE 106 CO -0.51 0.31 0.60 1.23 -0.69 0.00 0.00 178.15 179.09 1b4a h GLY 107 N 1.00 1.28 0.93 5.37 0.00 0.00 0.33 103.07 111.98 1b4a h GLY 107 Ca 0.19 -0.48 -0.07 0.00 0.00 0.00 0.00 47.33 46.97 1b4a h GLY 107 CO -0.00 0.47 -0.05 -2.08 0.00 0.00 0.00 176.54 174.88 1b4a h VAL 108 N 1.23 1.27 -0.39 4.60 2.07 -0.89 -0.82 116.25 123.31 1b4a h VAL 108 Ca 0.33 -1.08 0.01 0.00 0.82 0.00 0.00 66.70 66.79 1b4a h VAL 108 Cb -0.14 1.25 -0.02 0.00 -1.52 0.00 0.00 31.29 30.86 1b4a h VAL 108 CO -0.07 0.36 0.24 -0.07 0.02 0.00 0.00 177.57 178.05 1b4a h LEU 109 N 0.46 0.40 -0.90 2.57 4.07 -0.97 0.49 115.31 121.44 1b4a h LEU 109 Ca 0.10 -0.00 0.03 0.00 0.08 0.00 0.00 57.88 58.09 1b4a h LEU 109 Cb 0.53 -0.09 -0.05 0.00 1.08 0.00 0.00 40.66 42.13 1b4a h LEU 109 CO 0.03 0.29 0.58 -0.07 -1.08 0.00 0.00 178.44 178.19 1b4a h LEU 110 N 0.49 0.97 -0.99 1.67 -0.00 -0.83 -1.55 115.31 115.07 1b4a h LEU 110 Ca 0.15 -0.01 -0.07 0.00 -0.00 0.00 0.00 57.88 57.95 1b4a h LEU 110 Cb -0.02 -0.22 -0.02 0.00 -0.00 0.00 0.00 40.66 40.40 1b4a h LEU 110 CO -0.06 0.67 -0.07 0.44 -0.00 0.00 0.00 178.44 179.42 1b4a h ASP 111 N 1.13 0.62 0.89 -0.43 3.32 -0.19 -2.65 116.42 119.12 1b4a h ASP 111 Ca 0.35 -0.16 -0.06 0.00 0.02 0.00 0.00 57.03 57.18 1b4a h ASP 111 Cb -0.01 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.36 1b4a h ASP 111 CO -0.11 0.74 -0.30 0.78 -1.72 0.00 0.00 179.24 178.63 1b4a h ASN 112 N 0.60 0.00 -0.04 6.45 4.21 -0.00 -2.83 115.58 123.97 1b4a h ASN 112 Ca 0.11 0.00 -0.04 0.00 1.21 0.00 0.00 56.30 57.59 1b4a h ASN 112 Cb 0.48 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 37.67 1b4a h ASN 112 CO 0.03 0.30 -0.06 -0.07 -1.29 0.00 0.00 177.43 176.33 1b4a h LEU 113 N 0.00 0.23 -1.49 1.61 4.07 -0.96 -3.47 115.31 115.30 1b4a h LEU 113 Ca -0.00 -0.04 -0.38 0.00 0.08 0.00 0.00 57.88 57.54 1b4a h LEU 113 Cb 0.82 -0.06 0.11 0.00 1.08 0.00 0.00 40.66 42.61 1b4a h LEU 113 CO 0.04 0.33 -0.77 0.47 -1.08 0.00 0.00 178.44 177.43 1b4a n ASP 114 N -4.33 -2.76 -4.74 -0.43 9.92 -1.07 -4.94 116.55 108.20 1b4a n ASP 114 Ca -0.01 -0.69 -0.41 0.00 -0.53 0.00 0.00 54.79 53.16 1b4a n ASP 114 Cb 0.22 -4.64 -0.05 0.00 -0.64 0.00 0.00 41.12 36.01 1b4a n ASP 114 CO 0.00 0.00 0.00 0.26 0.13 0.00 0.00 177.20 177.59 1b4a s TRP 115 N -3.45 3.84 0.41 1.24 0.51 -1.26 -4.94 118.94 115.29 1b4a s TRP 115 Ca 0.17 1.81 0.23 0.00 -2.12 0.00 0.00 56.10 56.19 1b4a s TRP 115 Cb -0.08 -3.06 1.26 0.00 -0.81 0.00 0.00 33.47 30.78 1b4a s TRP 115 CO 0.77 0.18 2.02 -0.44 -0.51 0.00 0.00 176.95 178.97 1b4a h ASP 116 N 5.02 0.00 1.17 2.95 3.32 -2.01 -2.41 116.42 124.47 1b4a h ASP 116 Ca -0.44 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.61 1b4a h ASP 116 Cb 1.21 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.76 1b4a h ASP 116 CO 0.70 0.16 0.00 -0.33 -1.72 0.00 0.00 179.24 178.06 1b4a h GLU 117 N 0.00 0.00 -4.62 3.56 3.07 -1.93 -3.42 114.58 111.23 1b4a h GLU 117 Ca -0.00 0.00 -0.70 0.00 -0.50 0.00 0.00 59.36 58.16 1b4a h GLU 117 Cb 0.38 0.00 -0.22 0.00 -0.84 0.00 0.00 28.75 28.07 1b4a h GLU 117 CO 0.02 0.00 -0.49 0.42 -1.40 0.00 0.00 179.01 177.56 1b4a s ILE 118 N -3.50 4.89 0.13 3.13 1.01 -0.91 -0.74 121.20 125.21 1b4a s ILE 118 Ca 0.03 -0.62 -0.08 0.00 0.00 0.00 0.00 60.65 59.98 1b4a s ILE 118 Cb 0.08 -3.65 -0.14 0.00 0.01 0.00 0.00 42.46 38.76 1b4a s ILE 118 CO 0.54 -0.17 1.35 0.58 0.00 0.00 0.00 174.94 177.24 1b4a h VAL 119 N 5.70 1.32 0.00 2.92 2.07 -0.72 -3.45 116.25 124.09 1b4a h VAL 119 Ca -0.28 -2.06 0.00 0.00 0.82 0.00 0.00 66.70 65.18 1b4a h VAL 119 Cb 1.12 2.05 0.00 0.00 -1.52 0.00 0.00 31.29 32.95 1b4a h VAL 119 CO 0.67 0.64 0.00 0.61 0.02 0.00 0.00 177.57 179.51 1b4a n GLY 120 N 0.67 -0.30 2.95 2.17 0.00 -1.04 -5.03 105.19 104.61 1b4a n GLY 120 Ca -0.06 -0.92 -0.12 0.00 0.00 0.00 0.00 46.02 44.91 1b4a n GLY 120 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1b4a s THR 121 N -2.00 0.01 -0.15 2.61 -4.23 -1.26 -0.91 115.64 109.71 1b4a s THR 121 Ca 0.00 -0.08 0.01 0.00 -1.18 0.00 0.00 61.69 60.44 1b4a s THR 121 Cb 0.00 -0.12 0.02 0.00 1.34 0.00 0.00 72.50 73.73 1b4a s THR 121 CO 0.00 -0.04 -0.19 -0.63 -0.54 0.00 0.00 174.62 173.21 1b4a s ILE 122 N -0.11 1.92 0.04 2.99 -1.09 -0.24 -4.98 121.20 119.74 1b4a s ILE 122 Ca -0.02 -0.87 0.06 0.00 -2.23 0.00 0.00 60.65 57.59 1b4a s ILE 122 Cb -0.01 -1.73 -0.03 0.00 -1.58 0.00 0.00 42.46 39.10 1b4a s ILE 122 CO 0.00 0.52 -0.12 0.00 -1.23 0.00 0.00 174.94 174.11 1b4a n GLY 124 N 1.31 1.70 0.12 0.00 0.00 0.13 -4.91 105.19 103.54 1b4a n GLY 124 Ca -0.15 -0.41 -0.25 0.00 0.00 0.00 0.00 46.02 45.21 1b4a n GLY 124 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1b4a n ASP 125 N 0.00 1.91 0.00 1.61 -0.08 -1.26 -4.25 116.55 114.48 1b4a n ASP 125 Ca 0.00 0.37 0.00 0.00 -1.51 0.00 0.00 54.79 53.65 1b4a n ASP 125 Cb 0.00 -0.90 0.00 0.00 2.34 0.00 0.00 41.12 42.56 1b4a n ASP 125 CO 0.00 0.00 0.00 -0.90 0.12 0.00 0.00 177.20 176.42 1b4a n ASP 126 N -4.32 1.28 -4.25 1.67 5.75 -1.26 -1.64 116.55 113.78 1b4a n ASP 126 Ca -0.41 -1.58 -0.26 0.00 -0.01 0.00 0.00 54.79 52.53 1b4a n ASP 126 Cb 0.78 0.00 -0.14 0.00 -1.03 0.00 0.00 41.12 40.72 1b4a n ASP 126 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 1b4a s THR 127 N -0.58 1.67 -0.13 2.12 2.01 -1.26 -0.90 115.64 118.57 1b4a s THR 127 Ca 0.00 -1.16 -0.02 0.00 0.31 0.00 0.00 61.69 60.82 1b4a s THR 127 Cb 0.00 -1.44 0.04 0.00 0.01 0.00 0.00 72.50 71.11 1b4a s THR 127 CO 0.00 0.24 0.02 0.00 -0.69 0.00 0.00 174.62 174.19 1b4a s LEU 129 N 1.92 4.09 -0.30 0.00 0.20 0.19 -0.90 118.68 123.88 1b4a s LEU 129 Ca 0.02 0.70 -0.06 0.00 0.69 0.00 0.00 54.13 55.48 1b4a s LEU 129 Cb -0.14 -2.81 0.02 0.00 -0.43 0.00 0.00 46.19 42.83 1b4a s LEU 129 CO -0.07 -0.30 0.07 -0.63 -0.29 0.00 0.00 176.35 175.13 1b4a s ILE 130 N 2.20 3.74 -0.30 6.68 1.01 0.38 -1.08 121.20 133.84 1b4a s ILE 130 Ca 0.26 -0.89 -0.16 0.00 0.00 0.00 0.00 60.65 59.85 1b4a s ILE 130 Cb -0.16 -2.99 -0.02 0.00 0.01 0.00 0.00 42.46 39.30 1b4a s ILE 130 CO 0.09 0.01 0.44 -0.63 0.00 0.00 0.00 174.94 174.85 1b4a s ILE 131 N 1.44 5.11 0.22 2.92 1.01 -0.08 -1.56 121.20 130.25 1b4a s ILE 131 Ca 0.01 0.49 0.06 0.00 0.00 0.00 0.00 60.65 61.20 1b4a s ILE 131 Cb -0.18 -3.82 -0.04 0.00 0.01 0.00 0.00 42.46 38.44 1b4a s ILE 131 CO 0.02 0.00 0.19 0.00 0.00 0.00 0.00 174.94 175.15 1b4a h ARG 133 N 1.82 -0.08 -4.00 0.00 2.47 -1.22 -3.44 114.38 109.94 1b4a h ARG 133 Ca -0.48 0.01 -0.13 0.00 -1.26 0.00 0.00 59.98 58.11 1b4a h ARG 133 Cb 1.22 0.02 -0.11 0.00 -1.65 0.00 0.00 29.97 29.45 1b4a h ARG 133 CO 0.62 -0.05 -0.30 0.95 0.56 0.00 0.00 179.97 181.75 1b4a s THR 134 N -6.17 0.00 0.34 2.04 -4.23 -1.26 -5.03 115.64 101.33 1b4a s THR 134 Ca -0.14 -1.63 0.04 0.00 -1.18 0.00 0.00 61.69 58.79 1b4a s THR 134 Cb 0.14 -2.32 0.29 0.00 1.34 0.00 0.00 72.50 71.96 1b4a s THR 134 CO 0.70 0.00 1.94 -0.65 -0.54 0.00 0.00 174.62 176.07 1b4a h PRO 135 N 2.38 0.82 -0.66 3.99 0.11 -1.88 -0.79 132.00 135.97 1b4a h PRO 135 Ca -0.30 -0.05 -0.05 0.00 0.11 0.00 0.00 66.00 65.72 1b4a h PRO 135 Cb 1.25 -0.19 -0.03 0.00 0.11 0.00 0.00 31.00 32.15 1b4a h PRO 135 CO 0.42 0.54 0.23 -0.22 -0.21 0.00 0.00 178.00 178.77 1b4a h LYS 136 N 0.85 1.01 -0.03 1.05 3.64 -1.97 -1.79 116.57 119.32 1b4a h LYS 136 Ca 0.34 -0.20 -0.10 0.00 -1.27 0.00 0.00 60.65 59.43 1b4a h LYS 136 Cb 0.26 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 31.91 1b4a h LYS 136 CO -0.12 0.86 -0.43 -0.44 -2.27 0.00 0.00 179.45 177.05 1b4a h ASP 137 N 0.95 0.08 -0.38 4.20 3.32 -1.69 -2.33 116.42 120.56 1b4a h ASP 137 Ca 0.22 -0.03 -0.06 0.00 0.02 0.00 0.00 57.03 57.17 1b4a h ASP 137 Cb 0.25 -0.02 -0.01 0.00 0.22 0.00 0.00 39.33 39.77 1b4a h ASP 137 CO -0.01 0.50 0.00 0.00 -1.72 0.00 0.00 179.24 178.00 1b4a h ALA 138 N 1.51 0.52 -0.48 3.45 0.00 -0.60 -1.44 119.26 122.22 1b4a h ALA 138 Ca 0.00 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 54.64 1b4a h ALA 138 Cb 0.78 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.41 1b4a h ALA 138 CO 0.06 0.29 0.22 -0.22 0.00 0.00 0.00 179.25 179.60 1b4a h LYS 139 N 0.50 0.71 -0.21 0.00 3.11 -1.14 -0.84 116.57 118.70 1b4a h LYS 139 Ca 0.11 -0.11 0.04 0.00 -2.81 0.00 0.00 60.65 57.87 1b4a h LYS 139 Cb 0.47 -0.12 -0.03 0.00 -1.00 0.00 0.00 32.23 31.54 1b4a h LYS 139 CO 0.02 0.61 -0.01 -0.22 -2.81 0.00 0.00 179.45 177.04 1b4a h LYS 140 N 0.64 0.05 -0.76 1.90 3.64 -1.26 -1.55 116.57 119.23 1b4a h LYS 140 Ca 0.16 -0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 59.50 1b4a h LYS 140 Cb 0.15 -0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 31.92 1b4a h LYS 140 CO -0.02 0.03 0.29 0.28 -2.27 0.00 0.00 179.45 177.77 1b4a h VAL 141 N 0.05 1.26 -0.22 2.00 2.07 -1.05 -1.70 116.25 118.65 1b4a h VAL 141 Ca 0.10 -0.82 -0.00 0.00 0.82 0.00 0.00 66.70 66.80 1b4a h VAL 141 Cb 0.13 0.36 -0.01 0.00 -1.52 0.00 0.00 31.29 30.25 1b4a h VAL 141 CO -0.18 0.33 0.13 0.77 0.02 0.00 0.00 177.57 178.64 1b4a h SER 142 N 1.11 0.27 -0.52 0.57 4.64 -0.67 -0.56 113.55 118.39 1b4a h SER 142 Ca 0.25 -0.06 -0.02 0.00 -0.47 0.00 0.00 61.79 61.50 1b4a h SER 142 Cb 0.22 -0.07 -0.02 0.00 -0.31 0.00 0.00 62.40 62.22 1b4a h SER 142 CO -0.02 0.25 0.26 0.78 -0.87 0.00 0.00 176.83 177.23 1b4a h ASN 143 N 0.27 0.68 -0.75 4.97 -0.26 -1.12 -0.52 115.58 118.84 1b4a h ASN 143 Ca 0.08 -0.12 0.04 0.00 -0.56 0.00 0.00 56.30 55.74 1b4a h ASN 143 Cb 0.03 -0.17 -0.05 0.00 -1.06 0.00 0.00 38.32 37.07 1b4a h ASN 143 CO -0.01 0.61 0.46 1.56 -1.06 0.00 0.00 177.43 178.99 1b4a h GLN 144 N 0.70 0.86 -0.22 0.81 4.20 -1.00 -0.69 115.11 119.77 1b4a h GLN 144 Ca 0.18 -0.05 -0.10 0.00 0.06 0.00 0.00 58.65 58.74 1b4a h GLN 144 Cb 0.10 -0.19 -0.00 0.00 0.30 0.00 0.00 27.48 27.69 1b4a h GLN 144 CO -0.02 0.57 -0.24 -0.07 -0.67 0.00 0.00 178.83 178.39 1b4a h LEU 145 N 0.88 0.59 -1.26 1.46 3.38 -0.73 -3.19 115.31 116.44 1b4a h LEU 145 Ca 0.32 -0.49 -0.08 0.00 0.09 0.00 0.00 57.88 57.72 1b4a h LEU 145 Cb 0.09 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 1b4a h LEU 145 CO -0.14 0.96 -0.32 -0.07 0.09 0.00 0.00 178.44 178.96 1b4a h LEU 146 N 0.23 0.08 0.00 1.67 3.38 -0.89 -2.02 115.31 117.76 1b4a h LEU 146 Ca 0.03 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1b4a h LEU 146 Cb 0.80 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.53 1b4a h LEU 146 CO 0.06 0.41 0.00 -1.54 0.09 0.00 0.00 178.44 177.46 1b4a n SER 147 N -4.13 0.00 0.14 -0.43 3.41 -0.28 -2.24 113.62 110.08 1b4a n SER 147 Ca -0.02 0.44 0.10 0.00 -0.26 0.00 0.00 58.87 59.13 1b4a n SER 147 Cb 0.38 -0.47 0.05 0.00 -0.26 0.00 0.00 64.21 63.91 1b4a n SER 147 CO 0.00 0.00 0.00 0.24 -0.16 0.00 0.00 175.04 175.12 1b4a h MET 148 N 0.00 0.00 -0.00 4.33 2.86 -1.36 -3.51 114.93 117.25 1b4a h MET 148 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1b4a h MET 148 Cb 0.27 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.93 1b4a h MET 148 CO 0.00 0.06 0.00 1.47 1.06 0.00 0.00 176.91 179.50