#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1soy n ASN 2 N 0.00 4.79 -0.19 7.83 3.02 -1.26 -4.85 115.26 124.61 1soy n ASN 2 Ca 0.00 -3.70 -0.08 0.00 -0.03 0.00 0.00 54.58 50.78 1soy n ASN 2 Cb 0.00 -0.59 0.06 0.00 -0.61 0.00 0.00 39.78 38.64 1soy n ASN 2 CO 0.00 0.00 0.00 0.44 -2.62 0.00 0.00 177.26 175.08 1soy h ASP 3 N 2.99 0.98 -0.46 6.41 3.32 -1.98 -1.79 116.42 125.89 1soy h ASP 3 Ca 0.20 -0.26 -0.05 0.00 0.02 0.00 0.00 57.03 56.93 1soy h ASP 3 Cb 0.56 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.83 1soy h ASP 3 CO 0.86 1.03 0.08 -1.28 -1.72 0.00 0.00 179.24 178.21 1soy h SER 4 N 0.93 0.73 0.78 6.45 0.87 -1.99 -0.27 113.55 121.06 1soy h SER 4 Ca 0.17 -0.25 -0.04 0.00 -1.23 0.00 0.00 61.79 60.44 1soy h SER 4 Cb 0.52 -0.19 -0.00 0.00 -0.44 0.00 0.00 62.40 62.28 1soy h SER 4 CO 0.03 0.80 -0.46 -0.33 -0.53 0.00 0.00 176.83 176.34 1soy h GLU 5 N 0.63 -1.11 -0.96 2.24 5.08 -1.95 -1.95 114.58 116.57 1soy h GLU 5 Ca 0.14 0.08 0.16 0.00 -1.00 0.00 0.00 59.36 58.73 1soy h GLU 5 Cb 0.37 0.25 -0.08 0.00 0.50 0.00 0.00 28.75 29.79 1soy h GLU 5 CO 0.01 -0.74 0.60 0.35 -1.00 0.00 0.00 179.01 178.23 1soy h PHE 6 N -1.15 0.95 0.05 4.33 3.57 -1.23 0.56 116.94 124.02 1soy h PHE 6 Ca -0.11 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.42 1soy h PHE 6 Cb 0.91 -0.30 0.00 0.00 2.79 0.00 0.00 35.95 39.36 1soy h PHE 6 CO -0.07 0.31 -0.03 0.45 -2.23 0.00 0.00 178.31 176.75 1soy h HIS 7 N 0.77 -0.07 -0.24 0.41 3.86 -1.03 -1.61 115.15 117.24 1soy h HIS 7 Ca 0.50 -0.00 -0.06 0.00 -1.16 0.00 0.00 60.37 59.65 1soy h HIS 7 Cb 0.75 0.02 -0.01 0.00 1.06 0.00 0.00 27.41 29.23 1soy h HIS 7 CO -0.00 0.01 -0.08 -0.09 0.86 0.00 0.00 177.93 178.63 1soy h ARG 8 N -0.13 0.47 -0.58 2.45 2.43 -0.51 -1.85 114.38 116.67 1soy h ARG 8 Ca -0.01 -0.19 0.07 0.00 -0.81 0.00 0.00 59.98 59.04 1soy h ARG 8 Cb 0.11 -0.02 -0.06 0.00 -0.42 0.00 0.00 29.97 29.58 1soy h ARG 8 CO 0.01 0.72 0.25 -0.07 -1.51 0.00 0.00 179.97 179.37 1soy h LEU 9 N 0.20 0.30 0.31 3.80 3.38 -1.01 -2.08 115.31 120.22 1soy h LEU 9 Ca 0.06 0.06 -0.00 0.00 0.09 0.00 0.00 57.88 58.08 1soy h LEU 9 Cb 0.56 0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.30 1soy h LEU 9 CO 0.03 0.19 -0.30 0.00 0.09 0.00 0.00 178.44 178.46 1soy h ALA 10 N 1.36 -0.63 -0.72 1.53 0.00 -1.15 -1.50 119.26 118.15 1soy h ALA 10 Ca 0.28 -0.10 0.07 0.00 0.00 0.00 0.00 54.91 55.16 1soy h ALA 10 Cb 0.28 0.42 -0.06 0.00 0.00 0.00 0.00 17.79 18.43 1soy h ALA 10 CO -0.24 -0.89 0.40 0.22 0.00 0.00 0.00 179.25 178.74 1soy h ASP 11 N -0.63 0.59 0.33 0.00 3.58 -1.09 0.39 116.42 119.58 1soy h ASP 11 Ca -0.02 0.03 -0.02 0.00 0.42 0.00 0.00 57.03 57.45 1soy h ASP 11 Cb 0.57 -0.08 0.00 0.00 1.72 0.00 0.00 39.33 41.55 1soy h ASP 11 CO -0.05 0.37 -0.16 1.56 -2.88 0.00 0.00 179.24 178.08 1soy h GLN 12 N 0.72 -0.42 -0.19 0.28 1.08 -1.35 -2.33 115.11 112.90 1soy h GLN 12 Ca 0.33 0.03 -0.02 0.00 -1.45 0.00 0.00 58.65 57.53 1soy h GLN 12 Cb 0.23 0.10 -0.01 0.00 -0.05 0.00 0.00 27.48 27.75 1soy h GLN 12 CO -0.20 -0.18 0.03 1.37 -0.95 0.00 0.00 178.83 178.90 1soy h LEU 13 N -0.61 0.30 -0.35 1.46 8.10 -0.85 -1.64 115.31 121.72 1soy h LEU 13 Ca -0.04 -0.26 0.07 0.00 0.11 0.00 0.00 57.88 57.76 1soy h LEU 13 Cb 0.44 -0.08 -0.07 0.00 -0.44 0.00 0.00 40.66 40.51 1soy h LEU 13 CO 0.07 0.49 -0.09 -0.50 -4.11 0.00 0.00 178.44 174.30 1soy h TRP 14 N 0.11 -0.19 -0.06 0.17 6.55 -1.05 -0.35 115.95 121.12 1soy h TRP 14 Ca 0.06 0.03 -0.00 0.00 0.95 0.00 0.00 58.89 59.93 1soy h TRP 14 Cb 0.31 0.14 -0.00 0.00 -0.86 0.00 0.00 29.16 28.75 1soy h TRP 14 CO 0.02 -0.16 0.04 1.25 -1.05 0.00 0.00 178.44 178.54 1soy h LEU 15 N -0.00 0.08 0.26 -4.49 5.85 -1.36 -2.04 115.31 113.61 1soy h LEU 15 Ca 0.17 -0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.84 1soy h LEU 15 Cb 0.26 -0.02 -0.00 0.00 0.37 0.00 0.00 40.66 41.27 1soy h LEU 15 CO -0.37 0.09 -0.16 0.74 -0.34 0.00 0.00 178.44 178.40 1soy h THR 16 N 0.05 0.65 0.25 1.05 2.02 -0.96 -1.32 112.91 114.65 1soy h THR 16 Ca 0.02 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.20 1soy h THR 16 Cb 0.03 0.65 -0.02 0.00 -1.74 0.00 0.00 68.15 67.08 1soy h THR 16 CO -0.00 0.00 -0.22 0.40 0.37 0.00 0.00 175.52 176.06 1soy h ILE 17 N -0.41 0.52 -0.16 3.11 2.04 -1.12 -1.93 117.51 119.56 1soy h ILE 17 Ca -0.03 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.84 1soy h ILE 17 Cb 0.34 0.52 -0.01 0.00 -0.74 0.00 0.00 36.82 36.94 1soy h ILE 17 CO 0.02 0.00 0.10 -0.08 0.00 0.00 0.00 178.15 178.20 1soy h GLU 18 N -0.50 0.21 -0.24 2.37 4.81 -1.32 -1.50 114.58 118.41 1soy h GLU 18 Ca -0.01 -0.01 0.03 0.00 -0.13 0.00 0.00 59.36 59.23 1soy h GLU 18 Cb 0.45 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.76 1soy h GLU 18 CO -0.03 0.15 0.07 1.49 -0.73 0.00 0.00 179.01 179.95 1soy h GLU 19 N 0.21 0.17 0.00 1.92 4.81 -1.27 -1.09 114.58 119.33 1soy h GLU 19 Ca 0.06 -0.01 -0.11 0.00 -0.13 0.00 0.00 59.36 59.16 1soy h GLU 19 Cb -0.01 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.31 1soy h GLU 19 CO -0.01 0.11 -0.54 -0.09 -0.73 0.00 0.00 179.01 177.75 1soy h ARG 20 N 0.18 0.00 0.06 1.92 1.12 -1.23 -1.78 114.38 114.65 1soy h ARG 20 Ca 0.10 0.00 -0.00 0.00 -1.11 0.00 0.00 59.98 58.97 1soy h ARG 20 Cb 0.08 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 30.04 1soy h ARG 20 CO -0.12 0.54 -0.03 1.25 -3.11 0.00 0.00 179.97 178.50 1soy h LEU 21 N 0.00 -0.07 -1.19 3.80 5.85 -1.09 -3.09 115.31 119.53 1soy h LEU 21 Ca -0.01 -0.32 -0.03 0.00 0.84 0.00 0.00 57.88 58.36 1soy h LEU 21 Cb 0.97 0.02 -0.03 0.00 0.37 0.00 0.00 40.66 41.99 1soy h LEU 21 CO 0.07 0.29 0.23 -0.78 -0.34 0.00 0.00 178.44 177.91 1soy h ASP 22 N -0.44 0.72 -0.36 1.25 3.58 -1.05 -2.02 116.42 118.11 1soy h ASP 22 Ca -0.01 -0.09 -0.05 0.00 0.42 0.00 0.00 57.03 57.30 1soy h ASP 22 Cb 0.39 -0.19 -0.03 0.00 1.72 0.00 0.00 39.33 41.22 1soy h ASP 22 CO 0.01 0.65 0.07 -0.67 -2.88 0.00 0.00 179.24 176.42 1soy n ASP 23 N -4.34 3.56 -0.06 2.28 2.03 -0.68 -4.44 116.55 114.89 1soy n ASP 23 Ca 0.05 -2.58 -0.03 0.00 0.52 0.00 0.00 54.79 52.75 1soy n ASP 23 Cb 0.16 -0.62 -0.01 0.00 -0.72 0.00 0.00 41.12 39.93 1soy n ASP 23 CO 0.00 0.00 0.00 -0.25 -1.92 0.00 0.00 177.20 175.03 1soy h TRP 24 N 1.87 0.00 0.00 -0.67 -0.00 -1.27 -3.49 115.95 112.39 1soy h TRP 24 Ca 0.07 0.00 0.00 0.00 -0.00 0.00 0.00 58.89 58.96 1soy h TRP 24 Cb 1.44 0.00 0.00 0.00 -0.00 0.00 0.00 29.16 30.60 1soy h TRP 24 CO 0.65 0.04 0.00 -3.47 -0.00 0.00 0.00 178.44 175.66 1soy n ASP 25 N -4.70 0.00 0.00 2.65 2.03 -1.26 -5.02 116.55 110.25 1soy n ASP 25 Ca -0.04 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.27 1soy n ASP 25 Cb 0.13 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.53 1soy n ASP 25 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1soy n GLY 26 N 0.00 0.83 0.11 0.27 0.00 -1.26 -3.73 105.19 101.41 1soy n GLY 26 Ca 0.00 -1.35 -0.00 0.00 0.00 0.00 0.00 46.02 44.67 1soy n GLY 26 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1soy h ASP 27 N 2.60 0.00 -3.91 1.61 5.19 -2.06 -3.46 116.42 116.40 1soy h ASP 27 Ca 0.00 0.00 -0.49 0.00 -0.62 0.00 0.00 57.03 55.92 1soy h ASP 27 Cb 0.00 0.00 0.02 0.00 0.18 0.00 0.00 39.33 39.53 1soy h ASP 27 CO 0.00 0.63 0.42 -0.94 -3.12 0.00 0.00 179.24 176.23 1soy s SER 28 N -6.37 6.93 -0.11 6.45 1.04 -1.24 -5.07 113.70 115.33 1soy s SER 28 Ca 0.02 2.08 -0.04 0.00 0.48 0.00 0.00 55.95 58.49 1soy s SER 28 Cb 0.08 -2.60 -0.04 0.00 0.10 0.00 0.00 66.02 63.57 1soy s SER 28 CO 0.77 -0.37 0.05 -0.62 0.98 0.00 0.00 173.24 174.06 1soy s ASP 29 N -1.39 5.64 -0.16 7.02 2.15 -1.26 -4.56 116.67 124.11 1soy s ASP 29 Ca 0.54 0.23 -0.04 0.00 0.43 0.00 0.00 52.55 53.71 1soy s ASP 29 Cb -0.24 -1.73 0.08 0.00 -0.30 0.00 0.00 42.92 40.72 1soy s ASP 29 CO 0.31 0.36 0.24 0.27 -0.17 0.00 0.00 175.17 176.18 1soy s ILE 30 N -0.73 -0.38 0.02 4.11 -5.25 -1.26 -2.13 121.20 115.58 1soy s ILE 30 Ca 0.12 0.11 0.06 0.00 -0.99 0.00 0.00 60.65 59.95 1soy s ILE 30 Cb -0.12 -0.54 -0.02 0.00 2.95 0.00 0.00 42.46 44.73 1soy s ILE 30 CO 0.03 -0.02 -0.18 -1.81 -1.79 0.00 0.00 174.94 171.16 1soy s ASP 31 N 2.38 2.15 0.09 4.36 1.01 -0.69 -4.77 116.67 121.20 1soy s ASP 31 Ca 0.04 -0.43 0.05 0.00 0.71 0.00 0.00 52.55 52.92 1soy s ASP 31 Cb -0.14 -0.19 -0.04 0.00 1.01 0.00 0.00 42.92 43.56 1soy s ASP 31 CO -0.10 0.15 -0.02 0.00 0.21 0.00 0.00 175.17 175.41 1soy s GLU 33 N -2.28 2.42 -0.25 0.00 2.02 0.16 -4.94 118.70 115.83 1soy s GLU 33 Ca 0.25 -0.77 0.02 0.00 0.02 0.00 0.00 54.97 54.49 1soy s GLU 33 Cb -0.12 -2.37 0.06 0.00 0.10 0.00 0.00 34.13 31.80 1soy s GLU 33 CO 0.17 0.60 -0.09 -1.50 0.02 0.00 0.00 175.26 174.46 1soy s ILE 34 N -0.85 1.89 -0.90 -1.63 1.10 -1.26 -1.56 121.20 117.98 1soy s ILE 34 Ca 0.14 -1.43 -0.01 0.00 -0.51 0.00 0.00 60.65 58.84 1soy s ILE 34 Cb -0.11 -2.05 0.26 0.00 0.15 0.00 0.00 42.46 40.71 1soy s ILE 34 CO 0.04 -0.04 1.04 0.59 -2.11 0.00 0.00 174.94 174.45 1soy n ASN 35 N 4.54 4.94 0.00 4.50 3.02 -0.12 -4.84 115.26 127.31 1soy n ASN 35 Ca -0.13 -3.32 0.00 0.00 -0.03 0.00 0.00 54.58 51.10 1soy n ASN 35 Cb 0.43 -1.04 0.00 0.00 -0.61 0.00 0.00 39.78 38.56 1soy n ASN 35 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1soy n GLY 36 N 1.56 1.69 0.00 7.41 0.00 -1.26 -1.65 105.19 112.94 1soy n GLY 36 Ca 0.26 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.28 1soy n GLY 36 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1soy n GLY 37 N -2.00 1.75 3.58 -0.02 0.00 -1.26 -5.09 105.19 102.15 1soy n GLY 37 Ca 0.00 -0.16 -0.42 0.00 0.00 0.00 0.00 46.02 45.44 1soy n GLY 37 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1soy s VAL 38 N 0.00 3.97 -0.16 1.61 1.01 -0.66 -4.85 120.40 121.32 1soy s VAL 38 Ca 0.00 0.86 -0.15 0.00 0.00 0.00 0.00 61.98 62.69 1soy s VAL 38 Cb 0.00 -4.67 -0.04 0.00 0.00 0.00 0.00 36.38 31.66 1soy s VAL 38 CO 0.00 -1.31 0.36 -0.76 0.00 0.00 0.00 175.10 173.38 1soy s LEU 39 N 5.17 4.23 -0.12 3.92 1.43 -0.75 -0.94 118.68 131.62 1soy s LEU 39 Ca 0.45 0.58 0.01 0.00 -1.03 0.00 0.00 54.13 54.13 1soy s LEU 39 Cb -0.08 -2.48 0.02 0.00 0.03 0.00 0.00 46.19 43.68 1soy s LEU 39 CO 0.25 0.04 -0.12 0.42 0.23 0.00 0.00 176.35 177.17 1soy s THR 40 N 0.66 1.36 -0.25 5.49 -4.23 -0.60 -0.72 115.64 117.35 1soy s THR 40 Ca 0.19 -0.52 -0.13 0.00 -1.18 0.00 0.00 61.69 60.05 1soy s THR 40 Cb -0.14 -1.29 -0.04 0.00 1.34 0.00 0.00 72.50 72.37 1soy s THR 40 CO 0.06 0.42 0.30 -0.63 -0.54 0.00 0.00 174.62 174.23 1soy s ILE 41 N 1.39 5.25 -0.26 2.99 1.01 0.13 -0.66 121.20 131.05 1soy s ILE 41 Ca 0.01 0.44 0.02 0.00 0.00 0.00 0.00 60.65 61.11 1soy s ILE 41 Cb -0.13 -3.63 0.07 0.00 0.01 0.00 0.00 42.46 38.78 1soy s ILE 41 CO -0.07 0.24 -0.05 0.42 0.00 0.00 0.00 174.94 175.48 1soy s THR 42 N 1.62 1.76 0.34 2.92 -4.23 0.65 -1.90 115.64 116.80 1soy s THR 42 Ca 0.13 -1.47 0.09 0.00 -1.18 0.00 0.00 61.69 59.25 1soy s THR 42 Cb -0.15 -2.03 -0.05 0.00 1.34 0.00 0.00 72.50 71.61 1soy s THR 42 CO 0.08 -0.17 0.05 0.72 -0.54 0.00 0.00 174.62 174.77 1soy s PHE 43 N 1.27 2.60 0.57 3.99 -0.12 -1.23 -1.70 117.98 123.36 1soy s PHE 43 Ca -0.04 -0.42 0.43 0.00 -0.05 0.00 0.00 56.93 56.85 1soy s PHE 43 Cb -0.19 -1.53 2.24 0.00 -0.63 0.00 0.00 43.02 42.91 1soy s PHE 43 CO -0.07 0.43 2.31 1.05 -0.05 0.00 0.00 175.22 178.89 1soy h GLU 44 N 1.72 0.00 0.00 1.99 -0.00 -1.76 -1.68 114.58 114.86 1soy h GLU 44 Ca -0.43 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 58.93 1soy h GLU 44 Cb 1.25 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 30.00 1soy h GLU 44 CO 0.66 0.00 0.00 -0.97 -0.00 0.00 0.00 179.01 178.70 1soy h ASN 45 N 0.00 0.00 0.00 3.06 -1.24 -1.91 -3.46 115.58 112.03 1soy h ASN 45 Ca -0.00 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.01 1soy h ASN 45 Cb 0.09 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.14 1soy h ASN 45 CO 0.00 0.00 0.00 0.61 -1.29 0.00 0.00 177.43 176.75 1soy n GLY 46 N -0.42 0.31 3.94 1.57 0.00 -0.63 -5.07 105.19 104.89 1soy n GLY 46 Ca 0.01 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.78 1soy n GLY 46 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1soy s SER 47 N -2.37 6.31 -0.03 1.61 0.01 -1.26 -5.00 113.70 112.97 1soy s SER 47 Ca 0.00 0.51 -0.03 0.00 1.31 0.00 0.00 55.95 57.74 1soy s SER 47 Cb 0.00 -2.06 0.01 0.00 0.21 0.00 0.00 66.02 64.18 1soy s SER 47 CO 0.00 -0.30 0.08 -1.59 0.41 0.00 0.00 173.24 171.84 1soy s LYS 48 N -4.24 0.10 -0.01 12.44 -2.85 -1.26 -3.50 119.74 120.41 1soy s LYS 48 Ca 0.41 0.11 0.01 0.00 -1.00 0.00 0.00 55.97 55.50 1soy s LYS 48 Cb -0.10 0.05 -0.03 0.00 -2.06 0.00 0.00 37.83 35.68 1soy s LYS 48 CO 0.36 -0.01 -0.01 -1.50 0.10 0.00 0.00 175.35 174.28 1soy s ILE 49 N 0.03 4.06 -0.12 3.79 2.07 -0.80 -4.71 121.20 125.52 1soy s ILE 49 Ca -0.00 -0.59 0.01 0.00 -1.41 0.00 0.00 60.65 58.65 1soy s ILE 49 Cb -0.01 -2.78 0.02 0.00 0.13 0.00 0.00 42.46 39.82 1soy s ILE 49 CO 0.00 0.41 -0.13 -0.63 -1.91 0.00 0.00 174.94 172.69 1soy s ILE 50 N -1.04 1.37 -0.26 2.00 -1.09 0.54 -0.69 121.20 122.03 1soy s ILE 50 Ca 0.18 -0.53 0.01 0.00 -2.23 0.00 0.00 60.65 58.08 1soy s ILE 50 Cb -0.11 -1.30 0.07 0.00 -1.58 0.00 0.00 42.46 39.54 1soy s ILE 50 CO 0.09 0.42 -0.04 -0.63 -1.23 0.00 0.00 174.94 173.55 1soy s ILE 51 N 1.33 1.67 0.28 2.92 1.01 0.10 -1.55 121.20 126.96 1soy s ILE 51 Ca -0.00 -1.42 0.11 0.00 0.00 0.00 0.00 60.65 59.34 1soy s ILE 51 Cb -0.14 -1.96 -0.05 0.00 0.01 0.00 0.00 42.46 40.32 1soy s ILE 51 CO -0.06 -0.19 -0.18 0.20 0.00 0.00 0.00 174.94 174.71 1soy s ASN 52 N 1.31 3.54 -0.02 3.58 0.01 -1.26 -1.80 114.94 120.29 1soy s ASN 52 Ca -0.03 -1.05 -0.02 0.00 -0.71 0.00 0.00 52.86 51.04 1soy s ASN 52 Cb -0.19 -0.29 0.01 0.00 0.41 0.00 0.00 41.25 41.18 1soy s ASN 52 CO -0.08 -0.00 0.06 0.00 -1.51 0.00 0.00 177.10 175.57 1soy s ARG 53 N -3.53 0.08 -0.29 -0.60 1.70 -1.26 -2.18 118.95 112.86 1soy s ARG 53 Ca 0.30 0.07 -0.06 0.00 -0.47 0.00 0.00 55.73 55.57 1soy s ARG 53 Cb -0.04 0.04 0.02 0.00 -0.57 0.00 0.00 34.95 34.39 1soy s ARG 53 CO 0.15 -0.01 0.05 -0.65 -1.08 0.00 0.00 175.30 173.76 1soy s GLN 54 N 0.00 2.99 0.23 3.89 -1.52 -1.26 -5.05 119.66 118.95 1soy s GLN 54 Ca -0.00 -0.91 -0.08 0.00 -1.95 0.00 0.00 55.36 52.41 1soy s GLN 54 Cb -0.01 -3.29 0.39 0.00 -0.22 0.00 0.00 33.01 29.88 1soy s GLN 54 CO 0.00 -0.45 1.66 0.93 -0.25 0.00 0.00 175.29 177.17 1soy h GLU 55 N 8.18 0.14 0.00 2.91 5.08 -2.00 -2.60 114.58 126.28 1soy h GLU 55 Ca -0.31 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.04 1soy h GLU 55 Cb 1.12 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.34 1soy h GLU 55 CO 0.59 0.09 0.00 -2.30 -1.00 0.00 0.00 179.01 176.39 1soy n PRO 56 N -5.28 0.06 0.09 2.33 -0.02 -1.26 -3.29 135.00 127.63 1soy n PRO 56 Ca 0.12 0.23 -0.23 0.00 -2.02 0.00 0.00 63.50 61.60 1soy n PRO 56 Cb 0.43 -1.61 -0.15 0.00 -0.02 0.00 0.00 33.50 32.15 1soy n PRO 56 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 1soy h LEU 57 N 0.00 0.66 0.76 2.45 3.38 -1.91 -3.45 115.31 117.20 1soy h LEU 57 Ca 0.00 -0.91 -0.18 0.00 0.09 0.00 0.00 57.88 56.88 1soy h LEU 57 Cb 0.37 -0.21 -0.05 0.00 0.09 0.00 0.00 40.66 40.86 1soy h LEU 57 CO 0.00 1.75 -0.19 1.41 0.09 0.00 0.00 178.44 181.50 1soy n HIS 58 N -3.61 -0.16 -4.22 1.13 8.25 -1.21 -5.02 115.22 110.38 1soy n HIS 58 Ca -0.23 0.00 -0.16 0.00 -0.26 0.00 0.00 57.72 57.08 1soy n HIS 58 Cb 1.08 -1.99 -0.11 0.00 1.12 0.00 0.00 29.99 30.10 1soy n HIS 58 CO 0.00 0.00 0.00 1.14 0.64 0.00 0.00 176.34 178.12 1soy s GLN 59 N -3.40 0.97 0.24 -0.41 -2.07 -1.26 -4.87 119.66 108.87 1soy s GLN 59 Ca 0.00 -1.28 0.10 0.00 -1.82 0.00 0.00 55.36 52.37 1soy s GLN 59 Cb 0.00 -0.69 -0.05 0.00 -1.09 0.00 0.00 33.01 31.19 1soy s GLN 59 CO 0.00 0.11 -0.11 0.08 -1.32 0.00 0.00 175.29 174.05 1soy s VAL 60 N -2.62 2.95 0.11 3.63 1.01 -0.96 -4.42 120.40 120.10 1soy s VAL 60 Ca 0.10 -2.04 0.02 0.00 0.00 0.00 0.00 61.98 60.06 1soy s VAL 60 Cb -0.02 -2.53 -0.04 0.00 0.00 0.00 0.00 36.38 33.80 1soy s VAL 60 CO 0.01 -0.30 0.21 -1.66 0.00 0.00 0.00 175.10 173.36 1soy s TRP 61 N -2.18 3.40 -0.35 5.22 1.48 -0.93 -0.31 118.94 125.27 1soy s TRP 61 Ca 0.28 0.14 0.02 0.00 -1.06 0.00 0.00 56.10 55.48 1soy s TRP 61 Cb -0.07 -1.67 0.11 0.00 -1.16 0.00 0.00 33.47 30.68 1soy s TRP 61 CO 0.16 0.54 0.11 -0.51 -4.06 0.00 0.00 176.95 173.19 1soy s LEU 62 N -2.85 3.50 0.01 -4.66 1.43 0.16 -4.27 118.68 112.00 1soy s LEU 62 Ca 0.33 -2.08 -0.12 0.00 -1.03 0.00 0.00 54.13 51.23 1soy s LEU 62 Cb -0.12 -1.26 -0.05 0.00 0.03 0.00 0.00 46.19 44.79 1soy s LEU 62 CO 0.27 -0.37 0.37 0.00 0.23 0.00 0.00 176.35 176.85 1soy s ALA 63 N 1.02 3.73 0.00 4.21 0.00 -0.60 -1.20 121.76 128.93 1soy s ALA 63 Ca 0.12 -0.33 0.00 0.00 0.00 0.00 0.00 51.96 51.75 1soy s ALA 63 Cb -0.20 -2.29 0.00 0.00 0.00 0.00 0.00 23.12 20.63 1soy s ALA 63 CO -0.13 0.53 0.00 0.25 0.00 0.00 0.00 175.76 176.41 1soy n THR 64 N 1.53 0.00 -0.12 0.00 -2.24 -1.26 -0.34 114.28 111.84 1soy n THR 64 Ca -0.13 0.00 -0.18 0.00 -2.27 0.00 0.00 64.05 61.48 1soy n THR 64 Cb 0.53 0.00 -0.11 0.00 -2.10 0.00 0.00 70.33 68.65 1soy n THR 64 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 1soy n LYS 65 N 0.00 0.60 0.17 -0.78 0.00 -1.26 -4.78 118.16 112.11 1soy n LYS 65 Ca 0.00 0.15 0.05 0.00 0.00 0.00 0.00 58.31 58.50 1soy n LYS 65 Cb 0.00 -1.47 0.25 0.00 0.00 0.00 0.00 35.03 33.81 1soy n LYS 65 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.40 177.77 1soy h GLN 66 N -0.08 0.00 0.00 1.64 4.15 -1.96 -3.46 115.11 115.40 1soy h GLN 66 Ca -0.55 0.00 0.00 0.00 0.77 0.00 0.00 58.65 58.87 1soy h GLN 66 Cb 1.81 0.00 0.00 0.00 0.21 0.00 0.00 27.48 29.50 1soy h GLN 66 CO -0.11 0.42 0.00 0.41 -1.93 0.00 0.00 178.83 177.62 1soy n GLY 67 N 0.50 1.51 0.00 2.39 0.00 -1.26 -5.09 105.19 103.23 1soy n GLY 67 Ca 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 45.90 1soy n GLY 67 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1soy n GLY 68 N 0.00 2.69 3.77 -0.02 0.00 -1.26 -4.86 105.19 105.51 1soy n GLY 68 Ca 0.00 -1.01 -0.34 0.00 0.00 0.00 0.00 46.02 44.67 1soy n GLY 68 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1soy s TYR 69 N 0.00 3.31 0.14 1.61 2.02 -0.34 -4.94 117.35 119.14 1soy s TYR 69 Ca 0.00 0.26 0.06 0.00 -0.37 0.00 0.00 57.07 57.02 1soy s TYR 69 Cb 0.00 -1.79 -0.04 0.00 -0.40 0.00 0.00 41.96 39.73 1soy s TYR 69 CO 0.00 0.56 0.02 -3.38 -1.57 0.00 0.00 175.55 171.18 1soy s HIS 70 N -1.07 2.95 -0.05 2.71 -3.43 -1.26 0.35 115.29 115.48 1soy s HIS 70 Ca 0.19 -0.08 0.02 0.00 -0.80 0.00 0.00 55.06 54.39 1soy s HIS 70 Cb -0.12 -1.46 0.01 0.00 -1.43 0.00 0.00 32.58 29.58 1soy s HIS 70 CO 0.09 0.50 -0.11 -0.59 -2.00 0.00 0.00 174.74 172.63 1soy s PHE 71 N -1.56 1.31 0.41 0.38 -0.71 0.58 -0.74 117.98 117.64 1soy s PHE 71 Ca 0.27 -0.44 0.08 0.00 -1.04 0.00 0.00 56.93 55.80 1soy s PHE 71 Cb -0.10 -0.96 -0.04 0.00 -1.21 0.00 0.00 43.02 40.71 1soy s PHE 71 CO 0.19 -0.23 0.28 -0.51 -1.34 0.00 0.00 175.22 173.62 1soy s ASP 72 N 0.56 4.77 -0.25 1.98 1.01 -0.62 -2.26 116.67 121.86 1soy s ASP 72 Ca -0.11 -0.88 -0.01 0.00 0.71 0.00 0.00 52.55 52.25 1soy s ASP 72 Cb -0.14 -0.55 0.03 0.00 1.01 0.00 0.00 42.92 43.28 1soy s ASP 72 CO 0.03 -0.59 -0.07 -0.22 0.21 0.00 0.00 175.17 174.53 1soy s LEU 73 N -4.02 3.25 -0.03 1.23 2.96 -1.26 -0.50 118.68 120.30 1soy s LEU 73 Ca 0.45 -0.97 -0.17 0.00 -0.22 0.00 0.00 54.13 53.22 1soy s LEU 73 Cb -0.00 -1.65 -0.09 0.00 0.50 0.00 0.00 46.19 44.95 1soy s LEU 73 CO 0.25 -0.14 0.70 0.11 -1.32 0.00 0.00 176.35 175.95 1soy h LYS 74 N 7.98 -0.58 0.00 1.98 1.57 -1.66 -3.49 116.57 122.37 1soy h LYS 74 Ca -0.30 0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.52 1soy h LYS 74 Cb 1.10 0.13 0.00 0.00 0.08 0.00 0.00 32.23 33.54 1soy h LYS 74 CO 0.56 -0.39 0.00 0.41 -0.57 0.00 0.00 179.45 179.46 1soy n GLY 75 N 0.24 -2.10 1.51 3.86 0.00 -1.26 -4.92 105.19 102.52 1soy n GLY 75 Ca -0.07 0.65 -0.07 0.00 0.00 0.00 0.00 46.02 46.53 1soy n GLY 75 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1soy n ASP 76 N -1.48 3.46 -3.47 1.61 2.03 -1.26 -4.87 116.55 112.57 1soy n ASP 76 Ca 0.00 -3.50 0.01 0.00 0.52 0.00 0.00 54.79 51.82 1soy n ASP 76 Cb 0.00 -0.69 -0.03 0.00 -0.72 0.00 0.00 41.12 39.68 1soy n ASP 76 CO 0.00 0.00 0.00 -1.83 -1.92 0.00 0.00 177.20 173.45 1soy s GLU 77 N -3.14 0.54 0.00 -0.67 1.03 -1.26 -5.12 118.70 110.09 1soy s GLU 77 Ca 0.49 1.23 -0.29 0.00 0.03 0.00 0.00 54.97 56.43 1soy s GLU 77 Cb 0.42 0.73 -0.03 0.00 -0.80 0.00 0.00 34.13 34.44 1soy s GLU 77 CO 0.06 -0.32 0.94 -1.58 -1.33 0.00 0.00 175.26 173.03 1soy s TRP 78 N 2.85 3.66 -0.04 4.83 0.52 -1.26 -1.59 118.94 127.92 1soy s TRP 78 Ca 0.03 1.65 0.04 0.00 0.02 0.00 0.00 56.10 57.83 1soy s TRP 78 Cb -0.12 -3.07 -0.00 0.00 -1.15 0.00 0.00 33.47 29.13 1soy s TRP 78 CO -0.19 0.03 -0.17 0.96 0.02 0.00 0.00 176.95 177.60 1soy s ILE 79 N 0.87 1.39 -0.20 2.03 -0.00 0.34 -1.33 121.20 124.31 1soy s ILE 79 Ca 0.49 -0.70 -0.25 0.00 -0.00 0.00 0.00 60.65 60.20 1soy s ILE 79 Cb -0.21 -1.20 -0.01 0.00 -0.00 0.00 0.00 42.46 41.04 1soy s ILE 79 CO 0.27 0.40 0.84 0.00 -0.00 0.00 0.00 174.94 176.45 1soy n ASP 81 N 5.57 7.18 -3.16 0.00 2.03 0.08 -3.60 116.55 124.63 1soy n ASP 81 Ca 0.05 -2.83 -0.17 0.00 0.52 0.00 0.00 54.79 52.36 1soy n ASP 81 Cb 0.48 -1.40 -0.06 0.00 -0.72 0.00 0.00 41.12 39.42 1soy n ASP 81 CO 0.00 0.00 0.00 -0.60 -1.92 0.00 0.00 177.20 174.68 1soy s ARG 82 N 0.19 0.92 0.00 -0.67 3.00 -1.26 -4.62 118.95 116.51 1soy s ARG 82 Ca 0.63 -1.54 0.00 0.00 -1.00 0.00 0.00 55.73 53.82 1soy s ARG 82 Cb 0.26 -0.82 0.00 0.00 0.00 0.00 0.00 34.95 34.39 1soy s ARG 82 CO -0.09 -1.34 0.00 0.43 0.00 0.00 0.00 175.30 174.30 1soy n SER 83 N 3.11 0.00 -3.16 -2.12 7.64 -1.26 -4.76 113.62 113.07 1soy n SER 83 Ca 0.23 0.00 0.03 0.00 1.01 0.00 0.00 58.87 60.14 1soy n SER 83 Cb 0.50 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.70 1soy n SER 83 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1soy s GLY 84 N 0.00 -1.14 -0.54 0.23 0.00 -1.26 -5.13 107.32 99.48 1soy s GLY 84 Ca 0.00 1.26 -0.23 0.00 0.00 0.00 0.00 44.72 45.74 1soy s GLY 84 CO 0.00 3.55 0.89 -1.83 0.00 0.00 0.00 173.10 175.71 1soy s GLU 85 N 2.82 3.31 -0.30 2.90 1.03 -1.24 -4.70 118.70 122.53 1soy s GLU 85 Ca 0.13 -0.33 -0.12 0.00 0.03 0.00 0.00 54.97 54.68 1soy s GLU 85 Cb -0.12 -4.05 0.12 0.00 -0.80 0.00 0.00 34.13 29.28 1soy s GLU 85 CO -0.24 -1.43 0.68 0.99 -1.33 0.00 0.00 175.26 173.93 1soy s THR 86 N 3.74 -0.72 0.00 1.83 2.01 -1.26 -4.24 115.64 117.00 1soy s THR 86 Ca 0.28 0.00 0.00 0.00 0.31 0.00 0.00 61.69 62.28 1soy s THR 86 Cb -0.13 -1.00 0.00 0.00 0.01 0.00 0.00 72.50 71.38 1soy s THR 86 CO 0.18 0.00 0.41 0.33 -0.69 0.00 0.00 174.62 174.85 1soy n PHE 87 N 5.13 0.00 0.28 4.92 7.35 -0.44 -1.98 117.46 132.71 1soy n PHE 87 Ca -0.14 0.00 0.14 0.00 -0.76 0.00 0.00 57.45 56.69 1soy n PHE 87 Cb 0.52 0.00 0.82 0.00 0.35 0.00 0.00 39.48 41.17 1soy n PHE 87 CO 0.00 0.00 0.00 -1.49 -0.76 0.00 0.00 176.76 174.51 1soy h TRP 88 N 0.00 0.00 0.16 -5.13 4.06 -1.98 -0.77 115.95 112.29 1soy h TRP 88 Ca 0.00 0.00 -0.24 0.00 2.06 0.00 0.00 58.89 60.71 1soy h TRP 88 Cb 0.00 0.00 0.03 0.00 -1.00 0.00 0.00 29.16 28.19 1soy h TRP 88 CO 0.00 0.07 -1.03 0.22 -3.56 0.00 0.00 178.44 174.14 1soy h ASP 89 N 0.00 0.63 -0.40 -3.49 3.58 -1.97 -1.28 116.42 113.49 1soy h ASP 89 Ca -0.00 -0.91 -0.15 0.00 0.42 0.00 0.00 57.03 56.38 1soy h ASP 89 Cb 0.22 -0.20 -0.01 0.00 1.72 0.00 0.00 39.33 41.06 1soy h ASP 89 CO 0.01 1.49 -0.35 0.25 -2.88 0.00 0.00 179.24 177.76 1soy h LEU 90 N -0.13 1.00 -0.93 2.28 5.85 -0.88 -2.21 115.31 120.30 1soy h LEU 90 Ca -0.17 -0.45 0.17 0.00 0.84 0.00 0.00 57.88 58.27 1soy h LEU 90 Cb 1.79 -0.28 -0.10 0.00 0.37 0.00 0.00 40.66 42.44 1soy h LEU 90 CO 0.19 1.24 0.51 0.25 -0.34 0.00 0.00 178.44 180.30 1soy h LEU 91 N 0.77 0.63 -0.33 2.25 5.85 -1.25 0.56 115.31 123.78 1soy h LEU 91 Ca 0.07 0.10 -0.00 0.00 0.84 0.00 0.00 57.88 58.88 1soy h LEU 91 Cb 0.94 -0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.95 1soy h LEU 91 CO 0.09 0.23 0.19 -0.08 -0.34 0.00 0.00 178.44 178.52 1soy h GLU 92 N 0.67 0.46 -0.38 1.25 4.22 -0.91 0.49 114.58 120.38 1soy h GLU 92 Ca 0.53 -0.05 -0.00 0.00 0.08 0.00 0.00 59.36 59.91 1soy h GLU 92 Cb 0.80 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.94 1soy h GLU 92 CO -0.39 0.37 0.22 0.37 -2.18 0.00 0.00 179.01 177.41 1soy h GLN 93 N 0.42 0.51 -0.76 1.92 4.15 -0.73 0.36 115.11 120.98 1soy h GLN 93 Ca 0.12 -0.05 0.05 0.00 0.77 0.00 0.00 58.65 59.54 1soy h GLN 93 Cb 0.04 -0.11 -0.05 0.00 0.21 0.00 0.00 27.48 27.58 1soy h GLN 93 CO -0.02 0.39 0.50 0.00 -1.93 0.00 0.00 178.83 177.77 1soy h ALA 94 N 1.09 1.61 -0.03 3.38 0.00 -0.86 -1.20 119.26 123.25 1soy h ALA 94 Ca 0.13 -0.03 -0.22 0.00 0.00 0.00 0.00 54.91 54.79 1soy h ALA 94 Cb 0.01 -0.23 0.02 0.00 0.00 0.00 0.00 17.79 17.58 1soy h ALA 94 CO -0.02 0.29 -0.85 0.00 0.00 0.00 0.00 179.25 178.67 1soy h ALA 95 N 1.57 0.15 -0.15 0.00 0.00 -0.43 -1.53 119.26 118.87 1soy h ALA 95 Ca 0.32 -0.64 0.04 0.00 0.00 0.00 0.00 54.91 54.63 1soy h ALA 95 Cb 0.15 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1soy h ALA 95 CO -0.10 0.58 0.12 1.15 0.00 0.00 0.00 179.25 181.00 1soy h THR 96 N 0.28 0.77 0.30 0.00 2.02 -0.79 0.20 112.91 115.69 1soy h THR 96 Ca -0.10 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.07 1soy h THR 96 Cb 1.52 0.91 0.00 0.00 -1.74 0.00 0.00 68.15 68.84 1soy h THR 96 CO 0.17 0.00 -0.15 -0.61 0.37 0.00 0.00 175.52 175.30 1soy h GLN 97 N 0.00 -0.39 -0.05 6.66 4.15 -1.05 -2.60 115.11 121.82 1soy h GLN 97 Ca 0.07 0.03 -0.24 0.00 0.77 0.00 0.00 58.65 59.28 1soy h GLN 97 Cb 0.31 0.09 0.02 0.00 0.21 0.00 0.00 27.48 28.11 1soy h GLN 97 CO -0.00 -0.06 -0.92 1.96 -1.93 0.00 0.00 178.83 177.88 1soy h GLN 98 N -0.91 0.70 0.15 1.69 4.20 -0.77 -3.33 115.11 116.84 1soy h GLN 98 Ca -0.04 -0.70 -0.29 0.00 0.06 0.00 0.00 58.65 57.68 1soy h GLN 98 Cb 0.52 0.18 0.01 0.00 0.30 0.00 0.00 27.48 28.49 1soy h GLN 98 CO 0.07 1.29 -1.37 0.00 -0.67 0.00 0.00 178.83 178.15 1soy h ALA 99 N 0.44 0.10 -0.72 3.87 0.00 -0.80 -3.43 119.26 118.72 1soy h ALA 99 Ca -0.10 -0.95 -0.01 0.00 0.00 0.00 0.00 54.91 53.85 1soy h ALA 99 Cb 1.57 0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.48 1soy h ALA 99 CO 0.18 0.98 -0.02 0.41 0.00 0.00 0.00 179.25 180.80 1soy n GLY 100 N 1.60 0.69 3.61 0.00 0.00 -0.98 -4.92 105.19 105.20 1soy n GLY 100 Ca -0.12 -0.74 -0.08 0.00 0.00 0.00 0.00 46.02 45.08 1soy n GLY 100 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1soy s GLU 101 N -4.63 0.45 -0.73 1.61 2.12 -1.23 -5.06 118.70 111.22 1soy s GLU 101 Ca 0.01 0.26 -0.26 0.00 0.36 0.00 0.00 54.97 55.34 1soy s GLU 101 Cb -0.00 0.21 -0.01 0.00 0.26 0.00 0.00 34.13 34.59 1soy s GLU 101 CO 0.01 -0.11 1.75 0.99 -0.54 0.00 0.00 175.26 177.36 1soy s THR 102 N -0.58 3.48 -0.48 -1.70 2.01 -1.26 -3.75 115.64 113.36 1soy s THR 102 Ca 0.02 0.04 -0.18 0.00 0.31 0.00 0.00 61.69 61.88 1soy s THR 102 Cb -0.02 -4.20 0.05 0.00 0.01 0.00 0.00 72.50 68.34 1soy s THR 102 CO -0.04 -1.15 0.53 -0.69 -0.69 0.00 0.00 174.62 172.58 1soy s VAL 103 N 8.44 5.00 -0.02 3.82 1.01 -1.26 -5.00 120.40 132.39 1soy s VAL 103 Ca 0.61 -0.55 0.03 0.00 0.00 0.00 0.00 61.98 62.06 1soy s VAL 103 Cb -0.10 -4.20 0.00 0.00 0.00 0.00 0.00 36.38 32.09 1soy s VAL 103 CO 0.13 -0.66 -0.09 -0.94 0.00 0.00 0.00 175.10 173.54 1soy s SER 104 N 2.43 1.20 0.00 3.32 1.04 -1.26 -4.54 113.70 115.90 1soy s SER 104 Ca 0.12 -0.19 0.23 0.00 0.48 0.00 0.00 55.95 56.60 1soy s SER 104 Cb -0.20 -0.27 0.22 0.00 0.10 0.00 0.00 66.02 65.87 1soy s SER 104 CO 0.12 0.08 1.21 0.49 0.98 0.00 0.00 173.24 176.12 1soy n PHE 105 N 3.17 0.02 1.26 5.02 3.72 -1.26 -5.14 117.46 124.26 1soy n PHE 105 Ca -0.17 0.01 0.13 0.00 -0.05 0.00 0.00 57.45 57.37 1soy n PHE 105 Cb 0.55 -0.18 0.32 0.00 -0.94 0.00 0.00 39.48 39.23 1soy n PHE 105 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25