#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 1.11 -0.01 6.12 2.85 -1.26 -4.85 115.26 119.22 1soy n ASN 2 Ca 0.00 -1.41 -0.11 0.00 -0.11 0.00 0.00 54.58 52.95 1soy n ASN 2 Cb 0.00 -0.04 -0.06 0.00 1.24 0.00 0.00 39.78 40.93 1soy n ASN 2 CO 0.00 0.00 0.00 -2.24 -2.11 0.00 0.00 177.26 172.91 1soy h ASP 3 N 0.11 0.13 -0.64 1.20 2.03 -1.92 -0.77 116.42 116.55 1soy h ASP 3 Ca -0.07 -0.08 -0.02 0.00 -0.73 0.00 0.00 57.03 56.12 1soy h ASP 3 Cb 0.29 -0.03 -0.03 0.00 -0.83 0.00 0.00 39.33 38.73 1soy h ASP 3 CO 0.11 0.17 0.32 0.77 -1.03 0.00 0.00 179.24 179.58 1soy h SER 4 N 0.07 0.85 -0.01 4.15 4.64 -1.96 0.37 113.55 121.65 1soy h SER 4 Ca 0.04 -0.09 -0.01 0.00 -0.47 0.00 0.00 61.79 61.26 1soy h SER 4 Cb 0.07 -0.22 -0.00 0.00 -0.31 0.00 0.00 62.40 61.94 1soy h SER 4 CO -0.01 0.72 -0.02 -0.33 -0.87 0.00 0.00 176.83 176.33 1soy h GLU 5 N 0.94 0.04 -0.86 4.77 5.08 -1.89 0.13 114.58 122.79 1soy h GLU 5 Ca 0.23 -0.02 0.01 0.00 -1.00 0.00 0.00 59.36 58.58 1soy h GLU 5 Cb 0.10 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.30 1soy h GLU 5 CO -0.03 0.52 0.56 0.74 -1.00 0.00 0.00 179.01 179.80 1soy h PHE 6 N -0.44 1.09 -0.10 4.33 0.04 -1.04 -2.08 116.94 118.74 1soy h PHE 6 Ca 0.00 0.02 -0.01 0.00 2.80 0.00 0.00 57.97 60.78 1soy h PHE 6 Cb 0.51 -0.37 -0.00 0.00 2.20 0.00 0.00 35.95 38.29 1soy h PHE 6 CO 0.10 0.69 0.01 1.25 -0.60 0.00 0.00 178.31 179.76 1soy h HIS 7 N 1.17 0.19 0.38 -0.55 2.76 -0.84 -1.17 115.15 117.09 1soy h HIS 7 Ca 0.31 -0.03 -0.00 0.00 -2.20 0.00 0.00 60.37 58.45 1soy h HIS 7 Cb -0.12 -0.05 -0.02 0.00 1.55 0.00 0.00 27.41 28.77 1soy h HIS 7 CO 0.00 0.41 -0.37 -0.09 -1.30 0.00 0.00 177.93 176.57 1soy h ARG 8 N -0.08 -0.74 -0.82 5.26 2.43 -0.80 -0.07 114.38 119.56 1soy h ARG 8 Ca 0.03 0.05 0.05 0.00 -0.81 0.00 0.00 59.98 59.30 1soy h ARG 8 Cb 0.32 0.17 -0.06 0.00 -0.42 0.00 0.00 29.97 29.99 1soy h ARG 8 CO 0.00 -0.50 0.51 -0.07 -1.51 0.00 0.00 179.97 178.41 1soy h LEU 9 N -0.77 0.82 0.56 3.80 3.38 -1.44 -1.91 115.31 119.75 1soy h LEU 9 Ca -0.03 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.93 1soy h LEU 9 Cb 0.69 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.27 1soy h LEU 9 CO -0.06 0.54 -0.41 0.00 0.09 0.00 0.00 178.44 178.60 1soy h ALA 10 N 1.37 -0.98 -0.59 1.53 0.00 -1.06 -1.79 119.26 117.75 1soy h ALA 10 Ca 0.35 -0.18 0.08 0.00 0.00 0.00 0.00 54.91 55.16 1soy h ALA 10 Cb 0.11 0.54 -0.07 0.00 0.00 0.00 0.00 17.79 18.37 1soy h ALA 10 CO -0.15 -1.08 0.23 0.22 0.00 0.00 0.00 179.25 178.47 1soy h ASP 11 N -0.94 0.24 0.32 0.00 3.58 -0.70 0.26 116.42 119.18 1soy h ASP 11 Ca -0.06 0.07 -0.00 0.00 0.42 0.00 0.00 57.03 57.45 1soy h ASP 11 Cb 0.79 0.04 -0.02 0.00 1.72 0.00 0.00 39.33 41.86 1soy h ASP 11 CO 0.03 0.15 -0.28 1.56 -2.88 0.00 0.00 179.24 177.82 1soy h GLN 12 N 0.42 -0.59 -0.22 0.28 4.20 -1.38 -2.38 115.11 115.43 1soy h GLN 12 Ca 0.29 0.04 -0.16 0.00 0.06 0.00 0.00 58.65 58.88 1soy h GLN 12 Cb 0.33 0.13 -0.01 0.00 0.30 0.00 0.00 27.48 28.24 1soy h GLN 12 CO -0.28 -0.39 -0.52 1.37 -0.67 0.00 0.00 178.83 178.34 1soy h LEU 13 N -0.61 0.70 -0.60 1.46 8.10 -0.66 -1.04 115.31 122.67 1soy h LEU 13 Ca -0.02 -0.36 0.06 0.00 0.11 0.00 0.00 57.88 57.67 1soy h LEU 13 Cb 0.55 -0.20 -0.09 0.00 -0.44 0.00 0.00 40.66 40.47 1soy h LEU 13 CO -0.03 1.09 -0.56 -0.50 -4.11 0.00 0.00 178.44 174.32 1soy h TRP 14 N 0.50 -1.75 -0.64 0.17 -0.00 -0.58 0.97 115.95 114.61 1soy h TRP 14 Ca 0.02 0.10 -0.02 0.00 -0.00 0.00 0.00 58.89 58.99 1soy h TRP 14 Cb 1.07 0.84 -0.03 0.00 -0.00 0.00 0.00 29.16 31.04 1soy h TRP 14 CO 0.05 -0.45 0.33 1.25 -0.00 0.00 0.00 178.44 179.62 1soy h LEU 15 N -0.26 0.82 -0.06 -4.49 5.85 -1.35 -1.94 115.31 113.87 1soy h LEU 15 Ca 0.10 -0.11 0.03 0.00 0.84 0.00 0.00 57.88 58.74 1soy h LEU 15 Cb 0.53 -0.21 -0.04 0.00 0.37 0.00 0.00 40.66 41.31 1soy h LEU 15 CO -0.70 0.70 -0.15 0.74 -0.34 0.00 0.00 178.44 178.69 1soy h THR 16 N 0.88 0.61 0.16 1.05 2.02 -0.76 -1.61 112.91 115.25 1soy h THR 16 Ca 0.22 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.40 1soy h THR 16 Cb 0.08 0.61 -0.01 0.00 -1.74 0.00 0.00 68.15 67.10 1soy h THR 16 CO -0.03 0.00 -0.12 0.40 0.37 0.00 0.00 175.52 176.13 1soy h ILE 17 N -0.22 0.73 -0.20 3.11 2.04 -0.73 -1.50 117.51 120.74 1soy h ILE 17 Ca 0.07 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.97 1soy h ILE 17 Cb 0.32 0.73 -0.04 0.00 -0.74 0.00 0.00 36.82 37.09 1soy h ILE 17 CO -0.19 0.00 -0.04 -0.08 0.00 0.00 0.00 178.15 177.83 1soy h GLU 18 N -0.29 0.01 -0.10 2.37 4.81 -1.17 -1.06 114.58 119.15 1soy h GLU 18 Ca -0.00 -0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.21 1soy h GLU 18 Cb 0.26 -0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.64 1soy h GLU 18 CO -0.01 0.00 0.01 1.49 -0.73 0.00 0.00 179.01 179.78 1soy h GLU 19 N 0.01 0.16 -0.02 1.92 4.81 -1.32 -2.30 114.58 117.85 1soy h GLU 19 Ca 0.09 -0.05 -0.00 0.00 -0.13 0.00 0.00 59.36 59.28 1soy h GLU 19 Cb 0.14 -0.02 -0.00 0.00 0.63 0.00 0.00 28.75 29.50 1soy h GLU 19 CO -0.20 0.38 0.01 -0.09 -0.73 0.00 0.00 179.01 178.38 1soy h ARG 20 N -0.07 0.02 -0.00 1.92 9.65 -1.10 -1.93 114.38 122.86 1soy h ARG 20 Ca 0.03 -0.00 -0.13 0.00 -1.10 0.00 0.00 59.98 58.77 1soy h ARG 20 Cb 0.29 -0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 28.85 1soy h ARG 20 CO 0.00 0.10 -0.63 -0.07 2.80 0.00 0.00 179.97 182.17 1soy h LEU 21 N -0.07 0.02 0.14 3.80 4.07 -1.28 -1.96 115.31 120.03 1soy h LEU 21 Ca 0.01 -0.01 -0.01 0.00 0.08 0.00 0.00 57.88 57.95 1soy h LEU 21 Cb 0.09 -0.01 0.00 0.00 1.08 0.00 0.00 40.66 41.82 1soy h LEU 21 CO -0.00 0.65 -0.07 -0.78 -1.08 0.00 0.00 178.44 177.16 1soy h ASP 22 N 0.01 -0.15 0.77 -0.43 1.82 -1.33 -3.29 116.42 113.82 1soy h ASP 22 Ca -0.01 -0.25 -0.04 0.00 -0.39 0.00 0.00 57.03 56.33 1soy h ASP 22 Cb 1.12 0.04 -0.01 0.00 0.68 0.00 0.00 39.33 41.16 1soy h ASP 22 CO 0.08 0.18 -0.21 -0.78 -1.61 0.00 0.00 179.24 176.90 1soy h ASP 23 N -0.51 0.00 -0.58 2.28 1.82 -1.32 -3.29 116.42 114.82 1soy h ASP 23 Ca -0.02 0.00 0.10 0.00 -0.39 0.00 0.00 57.03 56.73 1soy h ASP 23 Cb 0.40 0.00 -0.11 0.00 0.68 0.00 0.00 39.33 40.30 1soy h ASP 23 CO 0.03 0.21 -0.33 -0.25 -1.61 0.00 0.00 179.24 177.29 1soy h TRP 24 N 0.00 -0.91 -2.32 0.28 2.91 -1.42 -3.49 115.95 110.99 1soy h TRP 24 Ca -0.00 0.07 0.27 0.00 1.13 0.00 0.00 58.89 60.35 1soy h TRP 24 Cb 0.66 0.49 -0.09 0.00 -0.51 0.00 0.00 29.16 29.70 1soy h TRP 24 CO 0.00 -0.38 -0.54 -3.47 -1.03 0.00 0.00 178.44 173.02 1soy n ASP 25 N -5.43 -6.06 0.00 2.65 2.03 -1.24 -5.11 116.55 103.38 1soy n ASP 25 Ca 0.04 0.61 0.00 0.00 0.52 0.00 0.00 54.79 55.96 1soy n ASP 25 Cb 0.35 -3.20 0.00 0.00 -0.72 0.00 0.00 41.12 37.55 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 -3.59 2.32 0.10 0.27 0.00 -1.26 -4.99 105.19 98.03 1soy n GLY 26 Ca -0.02 -0.43 -0.19 0.00 0.00 0.00 0.00 46.02 45.39 1soy n GLY 26 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1soy h ASP 27 N 0.00 0.20 -3.44 1.61 3.58 -1.99 -3.47 116.42 112.91 1soy h ASP 27 Ca 0.00 -0.86 -0.46 0.00 0.42 0.00 0.00 57.03 56.13 1soy h ASP 27 Cb 0.00 -0.06 0.06 0.00 1.72 0.00 0.00 39.33 41.05 1soy h ASP 27 CO 0.00 1.34 0.14 -0.94 -2.88 0.00 0.00 179.24 176.90 1soy s SER 28 N -6.71 5.26 0.55 2.28 1.04 -1.26 -5.11 113.70 109.75 1soy s SER 28 Ca -0.20 0.46 0.05 0.00 0.48 0.00 0.00 55.95 56.74 1soy s SER 28 Cb 0.01 -1.32 0.04 0.00 0.10 0.00 0.00 66.02 64.85 1soy s SER 28 CO 0.72 -1.26 0.40 -0.62 0.98 0.00 0.00 173.24 173.47 1soy s ASP 29 N -4.40 4.60 -0.25 7.02 -1.08 -1.26 -4.93 116.67 116.37 1soy s ASP 29 Ca 0.56 -1.29 -0.14 0.00 -0.52 0.00 0.00 52.55 51.17 1soy s ASP 29 Cb -0.11 0.49 0.08 0.00 -1.46 0.00 0.00 42.92 41.93 1soy s ASP 29 CO 0.43 -1.14 0.61 -0.51 0.52 0.00 0.00 175.17 175.08 1soy s ILE 30 N -2.79 -0.07 -0.25 4.11 -1.16 -1.26 -2.59 121.20 117.18 1soy s ILE 30 Ca 0.32 0.03 -0.02 0.00 -0.51 0.00 0.00 60.65 60.47 1soy s ILE 30 Cb -0.02 -0.89 0.08 0.00 0.61 0.00 0.00 42.46 42.24 1soy s ILE 30 CO 0.20 0.01 0.06 -1.81 -2.81 0.00 0.00 174.94 170.59 1soy s ASP 31 N 1.67 3.52 0.19 4.50 1.01 0.35 -4.98 116.67 122.93 1soy s ASP 31 Ca -0.09 -1.23 -0.22 0.00 0.71 0.00 0.00 52.55 51.72 1soy s ASP 31 Cb -0.06 -0.76 -0.08 0.00 1.01 0.00 0.00 42.92 43.02 1soy s ASP 31 CO -0.18 -0.35 0.74 0.00 0.21 0.00 0.00 175.17 175.59 1soy s GLU 33 N -1.60 2.73 -0.18 0.00 2.56 0.05 -4.93 118.70 117.33 1soy s GLU 33 Ca 0.39 -0.67 -0.00 0.00 0.00 0.00 0.00 54.97 54.69 1soy s GLU 33 Cb -0.19 -2.47 0.01 0.00 2.00 0.00 0.00 34.13 33.48 1soy s GLU 33 CO 0.23 0.54 -0.15 -1.50 -0.56 0.00 0.00 175.26 173.82 1soy s ILE 34 N -0.51 2.48 0.31 -3.70 1.10 -1.26 -1.88 121.20 117.73 1soy s ILE 34 Ca 0.07 -0.80 0.01 0.00 -0.51 0.00 0.00 60.65 59.42 1soy s ILE 34 Cb -0.12 -2.07 -0.00 0.00 0.15 0.00 0.00 42.46 40.42 1soy s ILE 34 CO 0.02 0.51 0.04 0.59 -2.11 0.00 0.00 174.94 173.99 1soy n ASN 35 N 4.56 2.12 -4.56 4.50 4.13 -0.02 -5.02 115.26 120.97 1soy n ASN 35 Ca -0.20 -2.46 -0.23 0.00 1.68 0.00 0.00 54.58 53.38 1soy n ASN 35 Cb 0.51 0.44 -0.06 0.00 -1.54 0.00 0.00 39.78 39.13 1soy n ASN 35 CO 0.00 0.00 0.00 -0.83 0.28 0.00 0.00 177.26 176.71 1soy s GLY 36 N -2.76 -0.25 0.00 7.41 0.00 -1.26 -1.66 107.32 108.80 1soy s GLY 36 Ca 0.06 -1.10 0.00 0.00 0.00 0.00 0.00 44.72 43.68 1soy s GLY 36 CO 0.04 3.81 0.00 0.61 0.00 0.00 0.00 173.10 177.57 1soy n GLY 37 N 6.73 0.80 3.07 0.20 0.00 -1.26 -5.01 105.19 109.71 1soy n GLY 37 Ca 0.41 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.14 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 -3.01 1.57 -0.12 1.61 1.01 -0.67 -3.68 120.40 117.12 1soy s VAL 38 Ca 0.00 -0.69 0.01 0.00 0.00 0.00 0.00 61.98 61.30 1soy s VAL 38 Cb 0.00 -1.43 -0.01 0.00 0.00 0.00 0.00 36.38 34.94 1soy s VAL 38 CO 0.00 0.46 -0.16 -0.76 0.00 0.00 0.00 175.10 174.63 1soy s LEU 39 N 0.96 2.54 -0.18 3.92 1.43 -0.21 -0.84 118.68 126.31 1soy s LEU 39 Ca -0.07 -0.38 0.01 0.00 -1.03 0.00 0.00 54.13 52.66 1soy s LEU 39 Cb -0.15 -1.55 0.02 0.00 0.03 0.00 0.00 46.19 44.54 1soy s LEU 39 CO -0.02 0.18 -0.18 0.42 0.23 0.00 0.00 176.35 176.98 1soy s THR 40 N 0.28 1.97 -0.38 5.49 -4.23 -0.79 -0.95 115.64 117.03 1soy s THR 40 Ca -0.12 -0.92 -0.19 0.00 -1.18 0.00 0.00 61.69 59.28 1soy s THR 40 Cb -0.16 -1.81 0.01 0.00 1.34 0.00 0.00 72.50 71.88 1soy s THR 40 CO 0.06 0.49 0.57 -0.63 -0.54 0.00 0.00 174.62 174.57 1soy s ILE 41 N 1.32 4.94 -0.21 2.99 1.01 -0.63 -0.77 121.20 129.85 1soy s ILE 41 Ca 0.04 0.27 -0.11 0.00 0.00 0.00 0.00 60.65 60.85 1soy s ILE 41 Cb -0.13 -4.06 -0.05 0.00 0.01 0.00 0.00 42.46 38.23 1soy s ILE 41 CO -0.12 -0.36 0.17 -0.89 0.00 0.00 0.00 174.94 173.74 1soy s THR 42 N 2.56 5.37 0.13 2.92 2.01 -0.18 -1.66 115.64 126.79 1soy s THR 42 Ca 0.20 0.25 0.09 0.00 0.31 0.00 0.00 61.69 62.54 1soy s THR 42 Cb -0.15 -3.51 -0.04 0.00 0.01 0.00 0.00 72.50 68.81 1soy s THR 42 CO 0.15 0.39 -0.17 0.72 -0.69 0.00 0.00 174.62 175.03 1soy s PHE 43 N 0.66 2.54 -0.64 4.92 -0.71 -1.18 -0.49 117.98 123.08 1soy s PHE 43 Ca 0.09 -0.26 0.22 0.00 -1.04 0.00 0.00 56.93 55.94 1soy s PHE 43 Cb -0.12 -1.32 0.89 0.00 -1.21 0.00 0.00 43.02 41.26 1soy s PHE 43 CO 0.01 0.42 1.67 -0.85 -1.34 0.00 0.00 175.22 175.13 1soy n GLU 44 N 0.62 0.15 0.30 1.99 -0.00 -1.07 -1.30 120.64 121.34 1soy n GLU 44 Ca -0.14 0.35 0.20 0.00 -0.00 0.00 0.00 57.16 57.56 1soy n GLU 44 Cb 0.53 -1.77 0.93 0.00 -0.00 0.00 0.00 31.44 31.14 1soy n GLU 44 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 177.13 176.16 1soy h ASN 45 N 0.00 0.00 0.00 -1.84 -1.24 -1.96 -3.46 115.58 107.08 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 0.37 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.42 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 -0.55 1.08 3.82 1.57 0.00 -0.42 -5.09 105.19 105.60 1soy n GLY 46 Ca -0.01 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.00 4.54 -0.06 1.61 0.01 -1.25 -5.03 113.70 111.52 1soy s SER 47 Ca 0.00 -1.17 -0.26 0.00 1.31 0.00 0.00 55.95 55.84 1soy s SER 47 Cb 0.00 -0.05 0.06 0.00 0.21 0.00 0.00 66.02 66.23 1soy s SER 47 CO 0.00 -0.79 0.57 -1.59 0.41 0.00 0.00 173.24 171.84 1soy s LYS 48 N -4.06 0.92 -0.08 12.44 -2.85 -1.26 -3.09 119.74 121.75 1soy s LYS 48 Ca 0.35 0.20 -0.11 0.00 -1.00 0.00 0.00 55.97 55.42 1soy s LYS 48 Cb 0.01 0.43 -0.05 0.00 -2.06 0.00 0.00 37.83 36.16 1soy s LYS 48 CO 0.20 -0.26 0.25 0.42 0.10 0.00 0.00 175.35 176.06 1soy s ILE 49 N -1.06 5.31 -0.20 3.79 -1.09 -0.66 -4.60 121.20 122.68 1soy s ILE 49 Ca -0.11 0.48 0.01 0.00 -2.23 0.00 0.00 60.65 58.80 1soy s ILE 49 Cb -0.02 -3.54 0.04 0.00 -1.58 0.00 0.00 42.46 37.36 1soy s ILE 49 CO 0.07 0.57 -0.13 -0.63 -1.23 0.00 0.00 174.94 173.60 1soy s ILE 50 N -0.82 1.80 -0.08 2.92 -1.09 0.62 -1.61 121.20 122.94 1soy s ILE 50 Ca 0.18 -1.03 0.01 0.00 -2.23 0.00 0.00 60.65 57.58 1soy s ILE 50 Cb -0.14 -1.80 0.02 0.00 -1.58 0.00 0.00 42.46 38.96 1soy s ILE 50 CO 0.07 0.26 -0.10 -0.63 -1.23 0.00 0.00 174.94 173.31 1soy s ILE 51 N 1.34 1.05 0.18 2.92 1.01 -0.13 -1.53 121.20 126.06 1soy s ILE 51 Ca -0.00 -0.38 -0.13 0.00 0.00 0.00 0.00 60.65 60.14 1soy s ILE 51 Cb -0.16 -1.01 0.01 0.00 0.01 0.00 0.00 42.46 41.31 1soy s ILE 51 CO -0.09 0.35 0.40 0.54 0.00 0.00 0.00 174.94 176.14 1soy s ASN 52 N 1.07 -0.09 0.02 3.58 2.20 -1.26 -1.04 114.94 119.42 1soy s ASN 52 Ca -0.07 -0.72 -0.13 0.00 -0.94 0.00 0.00 52.86 51.00 1soy s ASN 52 Cb -0.14 0.51 0.02 0.00 -2.00 0.00 0.00 41.25 39.63 1soy s ASN 52 CO -0.01 -0.98 0.27 0.00 -2.94 0.00 0.00 177.10 173.44 1soy s ARG 53 N -3.93 0.70 -0.30 3.55 1.70 -1.24 -2.03 118.95 117.39 1soy s ARG 53 Ca 0.14 -0.39 -0.00 0.00 -0.47 0.00 0.00 55.73 55.01 1soy s ARG 53 Cb 0.01 0.30 0.06 0.00 -0.57 0.00 0.00 34.95 34.76 1soy s ARG 53 CO -0.00 -0.21 -0.00 -0.65 -1.08 0.00 0.00 175.30 173.36 1soy s GLN 54 N -1.95 2.25 0.23 3.89 -1.52 -1.26 -4.96 119.66 116.34 1soy s GLN 54 Ca -0.09 -1.40 -0.07 0.00 -1.95 0.00 0.00 55.36 51.84 1soy s GLN 54 Cb -0.03 -3.15 0.25 0.00 -0.22 0.00 0.00 33.01 29.85 1soy s GLN 54 CO 0.00 -0.68 1.88 1.49 -0.25 0.00 0.00 175.29 177.73 1soy h GLU 55 N 7.91 1.06 0.00 2.91 4.81 -1.97 -2.82 114.58 126.47 1soy h GLU 55 Ca -0.18 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 58.99 1soy h GLU 55 Cb 1.05 -0.24 0.00 0.00 0.63 0.00 0.00 28.75 30.19 1soy h GLU 55 CO 0.53 0.70 0.00 -1.35 -0.73 0.00 0.00 179.01 178.16 1soy h PRO 56 N 1.09 0.00 0.00 0.92 0.11 -1.96 -3.32 132.00 128.84 1soy h PRO 56 Ca 0.34 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.45 1soy h PRO 56 Cb -0.02 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.09 1soy h PRO 56 CO -0.11 0.00 -1.20 1.47 -0.21 0.00 0.00 178.00 177.95 1soy n LEU 57 N -2.85 0.59 -1.90 2.35 -0.00 -1.06 -4.94 117.00 109.18 1soy n LEU 57 Ca 0.01 -0.14 -0.06 0.00 -0.00 0.00 0.00 56.01 55.82 1soy n LEU 57 Cb 0.26 -0.05 0.03 0.00 -0.00 0.00 0.00 43.42 43.66 1soy n LEU 57 CO 0.24 0.09 0.03 1.41 -0.00 0.00 0.00 177.39 179.16 1soy n HIS 58 N -1.90 -0.77 -3.46 1.47 8.25 -1.25 -5.07 115.22 112.50 1soy n HIS 58 Ca 0.01 0.31 -0.12 0.00 -0.26 0.00 0.00 57.72 57.66 1soy n HIS 58 Cb 0.43 -3.05 -0.03 0.00 1.12 0.00 0.00 29.99 28.47 1soy n HIS 58 CO 0.00 0.00 0.00 -1.14 0.64 0.00 0.00 176.34 175.84 1soy s GLN 59 N -4.17 1.11 0.17 -0.41 0.74 -1.26 -4.99 119.66 110.86 1soy s GLN 59 Ca 0.05 -0.31 0.11 0.00 0.05 0.00 0.00 55.36 55.26 1soy s GLN 59 Cb -0.01 0.52 -0.04 0.00 1.10 0.00 0.00 33.01 34.58 1soy s GLN 59 CO 0.25 -0.47 -0.24 0.08 -0.55 0.00 0.00 175.29 174.37 1soy s VAL 60 N -3.15 2.41 0.12 1.34 1.01 -1.20 -4.05 120.40 116.89 1soy s VAL 60 Ca 0.00 -1.90 0.04 0.00 0.00 0.00 0.00 61.98 60.12 1soy s VAL 60 Cb -0.01 -2.13 -0.04 0.00 0.00 0.00 0.00 36.38 34.20 1soy s VAL 60 CO -0.08 -0.04 0.13 0.86 0.00 0.00 0.00 175.10 175.96 1soy s TRP 61 N -1.47 3.21 -0.31 5.22 -0.11 -0.86 -1.26 118.94 123.37 1soy s TRP 61 Ca 0.19 0.05 -0.00 0.00 1.22 0.00 0.00 56.10 57.55 1soy s TRP 61 Cb -0.09 -1.58 0.13 0.00 -1.50 0.00 0.00 33.47 30.43 1soy s TRP 61 CO 0.09 0.52 0.27 -1.17 -4.62 0.00 0.00 176.95 172.04 1soy s LEU 62 N -2.78 0.08 0.10 5.86 1.98 0.80 -4.10 118.68 120.62 1soy s LEU 62 Ca 0.31 -1.18 0.09 0.00 -2.89 0.00 0.00 54.13 50.46 1soy s LEU 62 Cb -0.11 0.25 -0.04 0.00 0.66 0.00 0.00 46.19 46.95 1soy s LEU 62 CO 0.23 -0.37 -0.24 0.00 -1.89 0.00 0.00 176.35 174.09 1soy s ALA 63 N 1.99 2.07 0.00 5.97 0.00 -0.58 -0.89 121.76 130.31 1soy s ALA 63 Ca 0.12 -1.32 0.00 0.00 0.00 0.00 0.00 51.96 50.75 1soy s ALA 63 Cb -0.16 -0.32 0.00 0.00 0.00 0.00 0.00 23.12 22.64 1soy s ALA 63 CO -0.24 0.45 0.00 2.41 0.00 0.00 0.00 175.76 178.38 1soy n THR 64 N 1.13 0.00 -0.13 0.00 -1.04 -1.26 -0.28 114.28 112.70 1soy n THR 64 Ca -0.19 0.00 -0.23 0.00 -2.04 0.00 0.00 64.05 61.59 1soy n THR 64 Cb 0.53 0.00 -0.11 0.00 -1.82 0.00 0.00 70.33 68.93 1soy n THR 64 CO 0.00 0.00 0.00 1.17 -0.64 0.00 0.00 175.07 175.60 1soy n LYS 65 N 0.00 0.63 0.23 -2.82 0.00 -1.26 -4.47 118.16 110.47 1soy n LYS 65 Ca 0.00 0.21 0.11 0.00 0.00 0.00 0.00 58.31 58.63 1soy n LYS 65 Cb 0.00 -1.52 0.53 0.00 0.00 0.00 0.00 35.03 34.04 1soy n LYS 65 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.40 179.36 1soy h GLN 66 N -0.42 0.00 0.00 1.64 1.08 -1.97 -3.46 115.11 111.97 1soy h GLN 66 Ca -0.63 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.57 1soy h GLN 66 Cb 1.78 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 29.21 1soy h GLN 66 CO -0.23 0.18 0.00 0.41 -0.95 0.00 0.00 178.83 178.25 1soy n GLY 67 N 0.01 4.40 0.00 3.46 0.00 -1.26 -5.03 105.19 106.77 1soy n GLY 67 Ca -0.00 -0.82 0.00 0.00 0.00 0.00 0.00 46.02 45.20 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 3.75 3.71 -0.02 0.00 -1.26 -4.64 105.19 106.73 1soy n GLY 68 Ca 0.00 -0.50 -0.26 0.00 0.00 0.00 0.00 46.02 45.26 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 2.58 0.29 1.61 2.02 -0.07 -4.94 117.35 118.83 1soy s TYR 69 Ca 0.00 -0.61 0.10 0.00 -0.37 0.00 0.00 57.07 56.19 1soy s TYR 69 Cb 0.00 -1.91 -0.05 0.00 -0.40 0.00 0.00 41.96 39.60 1soy s TYR 69 CO 0.00 0.25 -0.05 -3.38 -1.57 0.00 0.00 175.55 170.81 1soy s HIS 70 N -2.63 2.57 -0.03 2.71 -3.43 -1.26 -0.14 115.29 113.07 1soy s HIS 70 Ca 0.39 -0.29 -0.01 0.00 -0.80 0.00 0.00 55.06 54.35 1soy s HIS 70 Cb 0.05 -1.21 0.03 0.00 -1.43 0.00 0.00 32.58 30.03 1soy s HIS 70 CO 0.21 0.61 0.04 0.12 -2.00 0.00 0.00 174.74 173.73 1soy s PHE 71 N -2.41 0.04 0.07 0.38 5.36 -0.39 -0.11 117.98 120.92 1soy s PHE 71 Ca 0.32 0.19 0.01 0.00 -0.96 0.00 0.00 56.93 56.49 1soy s PHE 71 Cb -0.05 -0.33 -0.04 0.00 -0.34 0.00 0.00 43.02 42.27 1soy s PHE 71 CO 0.19 -0.13 -0.06 -0.51 -1.46 0.00 0.00 175.22 173.24 1soy s ASP 72 N 1.50 0.91 0.09 6.13 1.01 -0.81 -3.25 116.67 122.24 1soy s ASP 72 Ca -0.04 -0.84 -0.25 0.00 0.71 0.00 0.00 52.55 52.13 1soy s ASP 72 Cb -0.13 0.09 -0.06 0.00 1.01 0.00 0.00 42.92 43.83 1soy s ASP 72 CO -0.03 -0.40 0.76 -0.22 0.21 0.00 0.00 175.17 175.49 1soy s LEU 73 N -2.51 4.50 0.00 1.23 2.96 -1.26 -1.06 118.68 122.55 1soy s LEU 73 Ca 0.03 1.51 0.00 0.00 -0.22 0.00 0.00 54.13 55.45 1soy s LEU 73 Cb 0.00 -3.24 0.00 0.00 0.50 0.00 0.00 46.19 43.45 1soy s LEU 73 CO -0.04 0.10 0.00 0.29 -1.32 0.00 0.00 176.35 175.38 1soy n LYS 74 N 2.33 0.00 0.07 1.98 4.76 -0.06 -4.93 118.16 122.32 1soy n LYS 74 Ca -0.04 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.40 1soy n LYS 74 Cb 0.50 -0.10 0.00 0.00 -1.84 0.00 0.00 35.03 33.58 1soy n LYS 74 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1soy n GLY 75 N 2.81 -0.16 0.04 0.72 0.00 -1.26 -4.88 105.19 102.46 1soy n GLY 75 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.13 1soy n GLY 75 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1soy n ASP 76 N -3.05 0.24 -3.82 1.61 8.00 -1.26 -4.99 116.55 113.28 1soy n ASP 76 Ca 0.00 0.09 -0.23 0.00 0.71 0.00 0.00 54.79 55.36 1soy n ASP 76 Cb 0.02 1.55 -0.17 0.00 -0.02 0.00 0.00 41.12 42.50 1soy n ASP 76 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 1soy s GLU 77 N -3.46 0.85 -0.53 -1.24 2.12 -1.26 -5.08 118.70 110.09 1soy s GLU 77 Ca -0.06 -0.00 -0.26 0.00 0.36 0.00 0.00 54.97 55.01 1soy s GLU 77 Cb 0.13 -1.09 0.03 0.00 0.26 0.00 0.00 34.13 33.46 1soy s GLU 77 CO 0.88 -0.26 1.03 -1.58 -0.54 0.00 0.00 175.26 174.78 1soy s TRP 78 N 1.77 2.77 0.26 5.30 0.52 -1.26 -0.88 118.94 127.42 1soy s TRP 78 Ca 0.03 0.25 -0.04 0.00 0.02 0.00 0.00 56.10 56.36 1soy s TRP 78 Cb -0.13 -4.21 -0.05 0.00 -1.15 0.00 0.00 33.47 27.93 1soy s TRP 78 CO -0.05 -1.36 0.52 0.96 0.02 0.00 0.00 176.95 177.03 1soy s ILE 79 N 4.24 5.06 -0.13 2.03 -4.36 -0.22 -0.55 121.20 127.28 1soy s ILE 79 Ca 0.37 -0.01 -0.26 0.00 -0.26 0.00 0.00 60.65 60.49 1soy s ILE 79 Cb -0.10 -3.72 -0.02 0.00 1.25 0.00 0.00 42.46 39.87 1soy s ILE 79 CO 0.24 -0.27 0.83 0.00 0.24 0.00 0.00 174.94 175.98 1soy h ASP 81 N 7.15 -0.23 -3.64 0.00 3.58 -0.85 -2.21 116.42 120.23 1soy h ASP 81 Ca -0.33 -0.29 -0.51 0.00 0.42 0.00 0.00 57.03 56.32 1soy h ASP 81 Cb 1.15 0.06 0.00 0.00 1.72 0.00 0.00 39.33 42.26 1soy h ASP 81 CO 0.81 0.22 0.44 -0.60 -2.88 0.00 0.00 179.24 177.24 1soy s ARG 82 N -4.13 4.66 0.00 0.28 3.00 -1.23 -3.83 118.95 117.70 1soy s ARG 82 Ca -0.14 1.67 0.00 0.00 -1.00 0.00 0.00 55.73 56.26 1soy s ARG 82 Cb 0.01 -3.27 0.00 0.00 0.00 0.00 0.00 34.95 31.69 1soy s ARG 82 CO 0.54 0.19 0.00 0.43 0.00 0.00 0.00 175.30 176.46 1soy n SER 83 N 2.03 0.00 0.00 -2.12 7.64 -1.26 -4.46 113.62 115.44 1soy n SER 83 Ca 0.01 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.89 1soy n SER 83 Cb 0.46 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.66 1soy n SER 83 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1soy n GLY 84 N 0.00 1.10 0.00 0.23 0.00 -1.20 -5.14 105.19 100.18 1soy n GLY 84 Ca 0.00 -0.70 0.00 0.00 0.00 0.00 0.00 46.02 45.32 1soy n GLY 84 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1soy n GLU 85 N 0.09 0.00 -3.71 1.61 2.13 -0.84 -4.91 120.64 115.01 1soy n GLU 85 Ca 0.00 0.00 -0.11 0.00 0.66 0.00 0.00 57.16 57.71 1soy n GLU 85 Cb 0.00 0.00 -0.11 0.00 0.27 0.00 0.00 31.44 31.60 1soy n GLU 85 CO 0.00 0.00 0.00 0.99 -0.41 0.00 0.00 177.13 177.71 1soy s THR 86 N -1.13 -0.02 0.00 6.31 2.01 -1.26 -1.07 115.64 120.47 1soy s THR 86 Ca 0.00 0.09 0.00 0.00 0.31 0.00 0.00 61.69 62.09 1soy s THR 86 Cb 0.00 -0.55 0.00 0.00 0.01 0.00 0.00 72.50 71.96 1soy s THR 86 CO 0.00 0.04 0.00 2.22 -0.69 0.00 0.00 174.62 176.19 1soy n PHE 87 N 4.04 0.00 0.24 4.92 -1.74 0.29 -0.34 117.46 124.87 1soy n PHE 87 Ca -0.22 0.00 0.09 0.00 -0.56 0.00 0.00 57.45 56.75 1soy n PHE 87 Cb 0.55 0.00 0.61 0.00 1.52 0.00 0.00 39.48 42.17 1soy n PHE 87 CO 0.00 0.00 0.00 -1.49 -0.56 0.00 0.00 176.76 174.71 1soy h TRP 88 N 0.00 0.00 -0.26 2.97 4.06 -1.99 -1.78 115.95 118.95 1soy h TRP 88 Ca 0.00 0.00 -0.08 0.00 2.06 0.00 0.00 58.89 60.87 1soy h TRP 88 Cb 0.00 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.15 1soy h TRP 88 CO 0.00 0.14 -0.17 0.22 -3.56 0.00 0.00 178.44 175.08 1soy h ASP 89 N 0.00 0.59 -0.30 -3.49 1.82 -1.98 -1.46 116.42 111.60 1soy h ASP 89 Ca -0.00 -0.43 -0.05 0.00 -0.39 0.00 0.00 57.03 56.16 1soy h ASP 89 Cb 0.30 -0.16 -0.01 0.00 0.68 0.00 0.00 39.33 40.13 1soy h ASP 89 CO 0.02 0.90 0.01 0.25 -1.61 0.00 0.00 179.24 178.80 1soy h LEU 90 N 0.29 0.52 -0.76 2.28 5.85 -0.03 -0.94 115.31 122.52 1soy h LEU 90 Ca 0.05 -0.30 0.08 0.00 0.84 0.00 0.00 57.88 58.55 1soy h LEU 90 Cb 0.70 -0.14 -0.06 0.00 0.37 0.00 0.00 40.66 41.52 1soy h LEU 90 CO 0.05 0.69 0.43 0.25 -0.34 0.00 0.00 178.44 179.51 1soy h LEU 91 N 0.33 0.62 -0.24 2.25 5.85 -1.36 0.11 115.31 122.86 1soy h LEU 91 Ca 0.09 0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.85 1soy h LEU 91 Cb 0.42 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.36 1soy h LEU 91 CO 0.01 0.38 0.15 -0.08 -0.34 0.00 0.00 178.44 178.56 1soy h GLU 92 N 0.75 0.33 0.38 1.25 4.81 -1.10 -1.76 114.58 119.24 1soy h GLU 92 Ca 0.35 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.54 1soy h GLU 92 Cb 0.27 -0.07 -0.00 0.00 0.63 0.00 0.00 28.75 29.58 1soy h GLU 92 CO -0.22 0.24 -0.22 0.37 -0.73 0.00 0.00 179.01 178.46 1soy h GLN 93 N 0.32 -0.55 -0.87 1.92 4.15 -0.55 -0.47 115.11 119.06 1soy h GLN 93 Ca 0.09 0.04 0.12 0.00 0.77 0.00 0.00 58.65 59.66 1soy h GLN 93 Cb -0.00 0.12 -0.08 0.00 0.21 0.00 0.00 27.48 27.73 1soy h GLN 93 CO -0.02 -0.36 0.50 0.00 -1.93 0.00 0.00 178.83 177.01 1soy h ALA 94 N 0.03 1.29 0.05 3.38 0.00 -0.82 -0.78 119.26 122.42 1soy h ALA 94 Ca -0.04 0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 1soy h ALA 94 Cb 0.46 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1soy h ALA 94 CO 0.05 0.06 -0.03 0.00 0.00 0.00 0.00 179.25 179.34 1soy h ALA 95 N 1.51 -0.07 0.00 0.00 0.00 -1.19 -2.27 119.26 117.24 1soy h ALA 95 Ca 0.44 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 1soy h ALA 95 Cb 0.49 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.31 1soy h ALA 95 CO -0.29 -0.19 -0.04 0.00 0.00 0.00 0.00 179.25 178.73 1soy h THR 96 N -0.77 0.66 0.00 0.00 1.03 -1.05 0.26 112.91 113.04 1soy h THR 96 Ca -0.01 -0.15 -0.00 0.00 -0.01 0.00 0.00 66.41 66.25 1soy h THR 96 Cb 0.63 1.09 0.00 0.00 -1.07 0.00 0.00 68.15 68.80 1soy h THR 96 CO 0.01 0.04 -0.00 -0.61 -0.01 0.00 0.00 175.52 174.95 1soy h GLN 97 N 0.00 -0.00 0.01 0.00 5.75 -1.19 -3.04 115.11 116.65 1soy h GLN 97 Ca -0.00 0.00 -0.05 0.00 -0.15 0.00 0.00 58.65 58.45 1soy h GLN 97 Cb 0.09 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.64 1soy h GLN 97 CO 0.00 -0.00 -0.20 1.96 -2.65 0.00 0.00 178.83 177.95 1soy h GLN 98 N -0.00 0.11 -0.10 1.69 4.20 -1.14 -3.35 115.11 116.52 1soy h GLN 98 Ca -0.00 -0.14 -0.20 0.00 0.06 0.00 0.00 58.65 58.38 1soy h GLN 98 Cb 0.00 0.04 -0.00 0.00 0.30 0.00 0.00 27.48 27.82 1soy h GLN 98 CO 0.00 0.94 -0.75 0.00 -0.67 0.00 0.00 178.83 178.35 1soy h ALA 99 N 0.18 0.51 0.00 3.87 0.00 -0.72 -3.48 119.26 119.61 1soy h ALA 99 Ca -0.03 -0.61 0.00 0.00 0.00 0.00 0.00 54.91 54.28 1soy h ALA 99 Cb 1.01 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.76 1soy h ALA 99 CO 0.04 0.74 0.00 0.41 0.00 0.00 0.00 179.25 180.44 1soy n GLY 100 N 0.61 1.33 3.37 0.00 0.00 -1.12 -4.96 105.19 104.41 1soy n GLY 100 Ca -0.05 -0.32 -0.10 0.00 0.00 0.00 0.00 46.02 45.55 1soy n GLY 100 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1soy s GLU 101 N -1.81 1.31 -1.30 1.61 2.02 -1.25 -5.01 118.70 114.28 1soy s GLU 101 Ca 0.00 -1.39 -0.18 0.00 0.02 0.00 0.00 54.97 53.42 1soy s GLU 101 Cb 0.00 0.37 0.05 0.00 0.10 0.00 0.00 34.13 34.64 1soy s GLU 101 CO 0.00 -0.49 1.81 2.41 0.02 0.00 0.00 175.26 179.01 1soy n THR 102 N -0.29 3.68 -3.06 3.63 -1.04 -1.26 -3.63 114.28 112.31 1soy n THR 102 Ca -0.01 -3.77 -0.45 0.00 -2.04 0.00 0.00 64.05 57.78 1soy n THR 102 Cb 0.64 -2.36 -0.03 0.00 -1.82 0.00 0.00 70.33 66.76 1soy n THR 102 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 1soy s VAL 103 N 4.79 4.92 0.15 12.58 1.01 -1.26 -4.99 120.40 137.59 1soy s VAL 103 Ca 0.55 -1.53 -0.01 0.00 0.00 0.00 0.00 61.98 60.98 1soy s VAL 103 Cb 0.05 -4.63 -0.04 0.00 0.00 0.00 0.00 36.38 31.76 1soy s VAL 103 CO 0.07 -1.30 0.09 -0.55 0.00 0.00 0.00 175.10 173.40 1soy s SER 104 N 3.31 0.26 0.00 3.32 0.15 -1.26 -4.35 113.70 115.12 1soy s SER 104 Ca 0.23 -1.23 0.00 0.00 0.70 0.00 0.00 55.95 55.65 1soy s SER 104 Cb -0.12 0.32 0.00 0.00 -1.71 0.00 0.00 66.02 64.52 1soy s SER 104 CO -0.04 -0.76 0.00 0.33 1.20 0.00 0.00 173.24 173.97 1soy n PHE 105 N -0.14 0.00 0.88 3.44 -0.00 -1.26 -4.97 117.46 115.41 1soy n PHE 105 Ca -0.04 0.00 0.11 0.00 -0.00 0.00 0.00 57.45 57.52 1soy n PHE 105 Cb 0.64 0.00 0.09 0.00 -0.00 0.00 0.00 39.48 40.21 1soy n PHE 105 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.76 177.30