#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fry s SER 3 N 0.00 6.39 -0.23 1.67 0.01 -1.26 -5.06 113.70 115.22 3fry s SER 3 Ca 0.00 0.46 -0.24 0.00 1.31 0.00 0.00 55.95 57.48 3fry s SER 3 Cb 0.00 -2.21 -0.01 0.00 0.21 0.00 0.00 66.02 64.01 3fry s SER 3 CO 0.00 -0.05 0.79 -0.69 0.41 0.00 0.00 173.24 173.70 3fry s VAL 4 N 1.25 4.87 0.21 3.43 1.01 -1.26 -5.02 120.40 124.90 3fry s VAL 4 Ca 0.17 1.49 0.02 0.00 0.00 0.00 0.00 61.98 63.66 3fry s VAL 4 Cb -0.14 -4.08 -0.05 0.00 0.00 0.00 0.00 36.38 32.10 3fry s VAL 4 CO 0.07 -0.04 0.03 -1.61 0.00 0.00 0.00 175.10 173.56 3fry s GLU 5 N 2.67 1.26 0.04 2.72 2.02 -1.26 -5.12 118.70 121.03 3fry s GLU 5 Ca 0.34 -1.64 -0.30 0.00 0.02 0.00 0.00 54.97 53.38 3fry s GLU 5 Cb -0.15 -0.35 -0.05 0.00 0.10 0.00 0.00 34.13 33.68 3fry s GLU 5 CO 0.08 -0.17 1.14 0.21 0.02 0.00 0.00 175.26 176.54 3fry s LYS 6 N -3.94 4.46 -0.08 1.61 2.20 -1.26 -5.01 119.74 117.73 3fry s LYS 6 Ca 0.29 1.68 0.00 0.00 -0.36 0.00 0.00 55.97 57.58 3fry s LYS 6 Cb 0.07 -3.38 0.02 0.00 -1.51 0.00 0.00 37.83 33.03 3fry s LYS 6 CO 0.08 -0.21 -0.06 0.42 -0.36 0.00 0.00 175.35 175.22 3fry s ILE 7 N 1.09 0.77 -0.20 5.43 1.01 -1.26 -5.12 121.20 122.92 3fry s ILE 7 Ca 0.57 -0.19 -0.06 0.00 0.00 0.00 0.00 60.65 60.97 3fry s ILE 7 Cb -0.27 -0.80 -0.03 0.00 0.01 0.00 0.00 42.46 41.37 3fry s ILE 7 CO 0.29 0.30 0.02 -0.69 0.00 0.00 0.00 174.94 174.86 3fry s VAL 8 N 1.34 4.14 -0.15 2.92 1.01 -1.26 -5.09 120.40 123.31 3fry s VAL 8 Ca -0.03 -0.25 -0.02 0.00 0.00 0.00 0.00 61.98 61.68 3fry s VAL 8 Cb -0.14 -2.88 -0.02 0.00 0.00 0.00 0.00 36.38 33.35 3fry s VAL 8 CO -0.03 0.43 -0.09 -0.76 0.00 0.00 0.00 175.10 174.65 3fry s LEU 9 N 0.91 2.91 -0.15 3.92 1.43 -1.26 -5.08 118.68 121.36 3fry s LEU 9 Ca 0.02 -0.28 -0.27 0.00 -1.03 0.00 0.00 54.13 52.57 3fry s LEU 9 Cb -0.14 -1.69 -0.01 0.00 0.03 0.00 0.00 46.19 44.38 3fry s LEU 9 CO 0.02 0.13 0.91 -1.61 0.23 0.00 0.00 176.35 176.03 3fry s GLU 10 N 0.56 4.34 0.09 1.70 0.41 -1.26 -5.04 118.70 119.51 3fry s GLU 10 Ca -0.06 1.18 0.01 0.00 -0.41 0.00 0.00 54.97 55.70 3fry s GLU 10 Cb -0.15 -3.56 -0.04 0.00 -1.78 0.00 0.00 34.13 28.60 3fry s GLU 10 CO 0.03 -0.34 0.22 -0.51 -0.49 0.00 0.00 175.26 174.17 3fry s LEU 11 N 2.16 4.27 0.02 1.80 1.43 -1.26 -5.12 118.68 121.98 3fry s LEU 11 Ca 0.42 0.19 0.01 0.00 -1.03 0.00 0.00 54.13 53.72 3fry s LEU 11 Cb -0.17 -2.87 -0.01 0.00 0.03 0.00 0.00 46.19 43.17 3fry s LEU 11 CO 0.14 0.13 -0.04 -0.44 0.23 0.00 0.00 176.35 176.37 3fry s SER 12 N -2.75 0.37 0.00 2.29 0.01 -1.26 -4.88 113.70 107.48 3fry s SER 12 Ca 0.34 -0.32 0.00 0.00 1.31 0.00 0.00 55.95 57.28 3fry s SER 12 Cb -0.12 0.03 0.00 0.00 0.21 0.00 0.00 66.02 66.14 3fry s SER 12 CO 0.27 -0.14 0.00 0.61 0.41 0.00 0.00 173.24 174.39 3fry n GLY 13 N 2.17 0.30 0.48 3.44 0.00 -1.26 -4.91 105.19 105.41 3fry n GLY 13 Ca -0.19 0.00 0.11 0.00 0.00 0.00 0.00 46.02 45.94 3fry n GLY 13 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3fry n LEU 14 N 0.00 1.93 -3.60 0.99 4.32 -1.26 -4.93 117.00 114.45 3fry n LEU 14 Ca 0.00 -0.70 -0.13 0.00 -0.02 0.00 0.00 56.01 55.16 3fry n LEU 14 Cb 0.00 -0.02 -0.05 0.00 -1.62 0.00 0.00 43.42 41.73 3fry n LEU 14 CO 0.00 0.36 0.23 -0.94 -1.22 0.00 0.00 177.39 175.82 3fry s SER 15 N -2.46 -0.37 -0.41 -1.43 1.04 -1.26 -5.14 113.70 103.68 3fry s SER 15 Ca 0.20 0.02 0.02 0.00 0.48 0.00 0.00 55.95 56.67 3fry s SER 15 Cb 0.18 0.48 0.11 0.00 0.10 0.00 0.00 66.02 66.89 3fry s SER 15 CO 0.55 -0.74 0.14 0.00 0.98 0.00 0.00 173.24 174.17 3fry h HIS 17 N 7.43 0.00 0.00 0.00 3.86 -2.01 -2.88 115.15 121.55 3fry h HIS 17 Ca -0.06 0.00 -0.08 0.00 -1.16 0.00 0.00 60.37 59.07 3fry h HIS 17 Cb 0.99 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.45 3fry h HIS 17 CO 0.50 0.26 -0.38 1.12 0.86 0.00 0.00 177.93 180.30 3fry h HIS 18 N 0.00 0.00 0.00 2.45 2.07 -2.01 -2.19 115.15 115.46 3fry h HIS 18 Ca -0.00 0.00 -0.05 0.00 -2.85 0.00 0.00 60.37 57.47 3fry h HIS 18 Cb 0.94 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.91 3fry h HIS 18 CO 0.00 0.38 -0.22 0.00 -3.07 0.00 0.00 177.93 175.02 3fry h VAL 20 N 0.00 1.25 -0.26 0.00 2.07 -1.41 -0.94 116.25 116.97 3fry h VAL 20 Ca -0.00 -0.94 -0.06 0.00 0.82 0.00 0.00 66.70 66.52 3fry h VAL 20 Cb 0.67 1.07 -0.02 0.00 -1.52 0.00 0.00 31.29 31.49 3fry h VAL 20 CO 0.03 0.32 -0.09 0.00 0.02 0.00 0.00 177.57 177.85 3fry h ALA 21 N 0.91 1.36 -0.45 1.67 0.00 -1.51 -1.09 119.26 120.14 3fry h ALA 21 Ca 0.12 -0.23 -0.05 0.00 0.00 0.00 0.00 54.91 54.75 3fry h ALA 21 Cb 0.42 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 3fry h ALA 21 CO 0.01 0.44 0.09 -0.09 0.00 0.00 0.00 179.25 179.70 3fry h ARG 22 N 0.40 0.74 -0.43 0.00 2.43 -1.12 -1.06 114.38 115.34 3fry h ARG 22 Ca 0.08 -0.19 -0.09 0.00 -0.81 0.00 0.00 59.98 58.97 3fry h ARG 22 Cb 0.41 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 29.85 3fry h ARG 22 CO 0.02 0.75 -0.10 0.28 -1.51 0.00 0.00 179.97 179.42 3fry h VAL 23 N 0.60 1.25 0.45 0.20 2.07 -0.77 -1.64 116.25 118.42 3fry h VAL 23 Ca 0.14 -1.14 -0.02 0.00 0.82 0.00 0.00 66.70 66.50 3fry h VAL 23 Cb 0.36 1.03 0.00 0.00 -1.52 0.00 0.00 31.29 31.16 3fry h VAL 23 CO 0.01 0.39 -0.22 0.50 0.02 0.00 0.00 177.57 178.27 3fry h LYS 24 N 0.69 -0.59 -0.34 1.57 3.64 -0.86 -1.39 116.57 119.30 3fry h LYS 24 Ca 0.12 0.04 0.03 0.00 -1.27 0.00 0.00 60.65 59.57 3fry h LYS 24 Cb 0.56 0.13 -0.03 0.00 -0.41 0.00 0.00 32.23 32.48 3fry h LYS 24 CO 0.03 -0.38 0.14 0.87 -2.27 0.00 0.00 179.45 177.84 3fry h LYS 25 N -0.62 0.29 -0.69 1.90 1.57 -1.10 -1.01 116.57 116.92 3fry h LYS 25 Ca -0.06 -0.02 0.09 0.00 -1.87 0.00 0.00 60.65 58.79 3fry h LYS 25 Cb 0.48 -0.07 -0.07 0.00 0.08 0.00 0.00 32.23 32.65 3fry h LYS 25 CO 0.10 0.19 0.33 0.00 -0.57 0.00 0.00 179.45 179.51 3fry h ALA 26 N 1.20 0.94 -0.49 3.86 0.00 -1.19 0.21 119.26 123.78 3fry h ALA 26 Ca 0.15 0.06 -0.07 0.00 0.00 0.00 0.00 54.91 55.05 3fry h ALA 26 Cb 0.10 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 3fry h ALA 26 CO -0.13 -0.07 0.02 -0.07 0.00 0.00 0.00 179.25 178.99 3fry h LEU 27 N 0.57 0.83 -0.44 0.00 3.38 -0.70 -1.79 115.31 117.15 3fry h LEU 27 Ca 0.34 -0.30 -0.03 0.00 0.09 0.00 0.00 57.88 57.98 3fry h LEU 27 Cb 0.36 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.87 3fry h LEU 27 CO -0.27 0.92 0.17 -0.33 0.09 0.00 0.00 178.44 179.02 3fry h GLU 28 N 0.71 0.67 0.00 1.13 5.08 -0.37 -0.60 114.58 121.20 3fry h GLU 28 Ca 0.14 -0.13 -0.02 0.00 -1.00 0.00 0.00 59.36 58.36 3fry h GLU 28 Cb 0.49 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 29.63 3fry h GLU 28 CO 0.02 0.62 -0.08 0.93 -1.00 0.00 0.00 179.01 179.50 3fry h GLU 29 N 0.57 0.00 -0.00 2.33 5.08 -0.51 0.22 114.58 122.27 3fry h GLU 29 Ca 0.15 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.51 3fry h GLU 29 Cb 0.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.46 3fry h GLU 29 CO -0.01 0.08 -0.00 0.00 -1.00 0.00 0.00 179.01 178.08 3fry n ALA 30 N -2.39 2.67 -0.10 3.43 0.00 -0.59 -4.88 120.51 118.64 3fry n ALA 30 Ca -0.03 -0.23 0.00 0.00 0.00 0.00 0.00 53.44 53.19 3fry n ALA 30 Cb 0.17 -1.48 0.00 0.00 0.00 0.00 0.00 19.45 18.14 3fry n ALA 30 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3fry n GLY 31 N 1.04 0.75 3.92 0.00 0.00 0.77 -4.88 105.19 106.79 3fry n GLY 31 Ca 0.23 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.97 3fry n GLY 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fry s ALA 32 N -2.10 3.72 -0.37 4.61 0.00 -0.34 -4.91 121.76 122.37 3fry s ALA 32 Ca 0.00 -0.70 -0.10 0.00 0.00 0.00 0.00 51.96 51.16 3fry s ALA 32 Cb 0.00 -2.16 0.03 0.00 0.00 0.00 0.00 23.12 20.99 3fry s ALA 32 CO 0.00 0.31 0.19 0.21 0.00 0.00 0.00 175.76 176.47 3fry s LYS 33 N -3.51 2.78 -0.15 0.00 2.47 -0.89 -3.81 119.74 116.63 3fry s LYS 33 Ca 0.41 -1.11 -0.29 0.00 -1.56 0.00 0.00 55.97 53.42 3fry s LYS 33 Cb -0.11 -3.69 -0.01 0.00 -1.46 0.00 0.00 37.83 32.55 3fry s LYS 33 CO 0.30 -0.71 1.21 0.08 0.16 0.00 0.00 175.35 176.40 3fry s VAL 34 N 1.53 4.34 -0.14 4.02 1.01 -1.26 -0.23 120.40 129.67 3fry s VAL 34 Ca 0.01 1.63 0.18 0.00 0.00 0.00 0.00 61.98 63.81 3fry s VAL 34 Cb -0.19 -4.05 -0.25 0.00 0.00 0.00 0.00 36.38 31.89 3fry s VAL 34 CO 0.06 -0.11 0.33 -0.62 0.00 0.00 0.00 175.10 174.76 3fry n GLU 35 N 6.24 0.67 -3.60 2.72 -0.58 0.34 -4.95 120.64 121.47 3fry n GLU 35 Ca 0.13 0.01 -0.10 0.00 -0.42 0.00 0.00 57.16 56.78 3fry n GLU 35 Cb 0.45 -1.59 -0.06 0.00 -0.57 0.00 0.00 31.44 29.67 3fry n GLU 35 CO 0.00 0.00 0.00 0.21 -0.48 0.00 0.00 177.13 176.86 3fry s LYS 36 N -2.79 0.58 -0.29 3.49 2.20 -0.89 -4.99 119.74 117.06 3fry s LYS 36 Ca -0.08 0.34 -0.13 0.00 -0.36 0.00 0.00 55.97 55.74 3fry s LYS 36 Cb 0.08 0.28 0.11 0.00 -1.51 0.00 0.00 37.83 36.79 3fry s LYS 36 CO 0.84 -0.14 0.69 0.54 -0.36 0.00 0.00 175.35 176.92 3fry s VAL 37 N -0.55 -0.52 0.00 4.02 0.11 -1.26 0.31 120.40 122.51 3fry s VAL 37 Ca -0.00 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.05 3fry s VAL 37 Cb -0.02 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 33.83 3fry s VAL 37 CO -0.01 0.00 0.00 -0.90 -3.33 0.00 0.00 175.10 170.86 3fry n ASP 38 N 4.89 0.82 0.09 3.54 5.68 -0.26 -5.01 116.55 126.30 3fry n ASP 38 Ca -0.16 -0.01 0.01 0.00 -0.50 0.00 0.00 54.79 54.13 3fry n ASP 38 Cb 0.54 0.00 0.34 0.00 -1.14 0.00 0.00 41.12 40.85 3fry n ASP 38 CO 0.00 0.00 0.00 -0.07 -1.33 0.00 0.00 177.20 175.80 3fry h LEU 39 N 0.00 0.29 -0.01 -2.12 3.38 -1.99 -3.31 115.31 111.54 3fry h LEU 39 Ca 0.00 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.90 3fry h LEU 39 Cb 0.00 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.67 3fry h LEU 39 CO 0.00 0.47 -0.68 0.59 0.09 0.00 0.00 178.44 178.92 3fry n ASN 40 N -4.22 0.70 -3.56 -0.43 3.02 -1.26 -5.05 115.26 104.45 3fry n ASN 40 Ca -0.00 -0.85 -0.10 0.00 -0.03 0.00 0.00 54.58 53.59 3fry n ASN 40 Cb 0.31 0.99 -0.02 0.00 -0.61 0.00 0.00 39.78 40.45 3fry n ASN 40 CO 0.00 0.00 0.00 -1.83 -2.62 0.00 0.00 177.26 172.81 3fry s GLU 41 N -2.36 1.43 -0.05 3.52 -1.05 -1.25 -5.11 118.70 113.83 3fry s GLU 41 Ca 0.06 -0.63 0.00 0.00 -0.15 0.00 0.00 54.97 54.25 3fry s GLU 41 Cb 0.11 0.59 0.02 0.00 -0.44 0.00 0.00 34.13 34.42 3fry s GLU 41 CO 0.59 -0.64 -0.03 0.00 0.95 0.00 0.00 175.26 176.14 3fry s ALA 42 N -3.79 0.65 -0.21 -0.84 0.00 -1.26 -1.10 121.76 115.21 3fry s ALA 42 Ca 0.04 -0.06 -0.03 0.00 0.00 0.00 0.00 51.96 51.91 3fry s ALA 42 Cb -0.03 -0.52 -0.00 0.00 0.00 0.00 0.00 23.12 22.57 3fry s ALA 42 CO -0.07 -0.17 -0.07 0.08 0.00 0.00 0.00 175.76 175.54 3fry s VAL 43 N 1.26 3.18 0.18 0.00 1.01 0.15 -4.99 120.40 121.19 3fry s VAL 43 Ca -0.06 -0.56 0.07 0.00 0.00 0.00 0.00 61.98 61.42 3fry s VAL 43 Cb -0.14 -2.43 -0.05 0.00 0.00 0.00 0.00 36.38 33.77 3fry s VAL 43 CO -0.02 0.45 -0.13 0.68 0.00 0.00 0.00 175.10 176.08 3fry s VAL 44 N 1.37 1.53 -0.36 2.92 -7.23 -1.26 -0.51 120.40 116.86 3fry s VAL 44 Ca 0.05 -2.16 -0.10 0.00 -1.81 0.00 0.00 61.98 57.96 3fry s VAL 44 Cb -0.14 -1.98 0.03 0.00 0.56 0.00 0.00 36.38 34.85 3fry s VAL 44 CO -0.04 -0.65 0.17 0.00 -0.31 0.00 0.00 175.10 174.27 3fry s ALA 45 N -3.10 3.21 0.00 1.32 0.00 0.68 -4.90 121.76 118.97 3fry s ALA 45 Ca 0.20 -1.69 0.00 0.00 0.00 0.00 0.00 51.96 50.47 3fry s ALA 45 Cb 0.01 -2.48 0.00 0.00 0.00 0.00 0.00 23.12 20.64 3fry s ALA 45 CO 0.05 -1.32 0.00 0.41 0.00 0.00 0.00 175.76 174.89 3fry n GLY 46 N 4.95 3.18 3.67 0.00 0.00 -1.26 -2.08 105.19 113.64 3fry n GLY 46 Ca -0.12 -0.96 -0.37 0.00 0.00 0.00 0.00 46.02 44.56 3fry n GLY 46 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3fry s ASN 47 N 1.05 6.30 0.51 1.61 0.01 -1.26 -4.96 114.94 118.19 3fry s ASN 47 Ca 0.00 0.35 0.25 0.00 -0.71 0.00 0.00 52.86 52.75 3fry s ASN 47 Cb 0.00 -2.18 1.35 0.00 0.41 0.00 0.00 41.25 40.83 3fry s ASN 47 CO 0.00 -0.01 1.93 0.50 -1.51 0.00 0.00 177.10 178.01 3fry h LYS 48 N 7.40 0.10 0.00 -0.60 3.64 -2.02 0.29 116.57 125.38 3fry h LYS 48 Ca -0.37 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.00 3fry h LYS 48 Cb 1.16 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.96 3fry h LYS 48 CO 0.69 0.07 0.00 -0.85 -2.27 0.00 0.00 179.45 177.09 3fry n GLU 49 N -4.37 0.18 -0.33 1.90 0.00 -1.26 -2.98 120.64 113.78 3fry n GLU 49 Ca 0.15 0.23 0.10 0.00 0.00 0.00 0.00 57.16 57.65 3fry n GLU 49 Cb 0.74 -1.75 0.29 0.00 0.00 0.00 0.00 31.44 30.72 3fry n GLU 49 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 3fry n ASP 50 N -2.07 3.46 0.08 -1.84 8.00 0.10 -4.55 116.55 119.73 3fry n ASP 50 Ca 0.05 -2.00 -0.13 0.00 0.71 0.00 0.00 54.79 53.42 3fry n ASP 50 Cb 0.34 -0.43 -0.06 0.00 -0.02 0.00 0.00 41.12 40.96 3fry n ASP 50 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 3fry h VAL 51 N 3.79 0.29 -0.71 2.53 2.07 -1.55 0.91 116.25 123.58 3fry h VAL 51 Ca 0.00 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.57 3fry h VAL 51 Cb 0.87 0.29 -0.04 0.00 -1.52 0.00 0.00 31.29 30.88 3fry h VAL 51 CO 0.00 0.00 0.47 -0.78 0.02 0.00 0.00 177.57 177.28 3fry h ASP 52 N -0.52 0.68 -0.54 0.57 1.82 -1.86 -0.75 116.42 115.82 3fry h ASP 52 Ca 0.05 -0.00 -0.01 0.00 -0.39 0.00 0.00 57.03 56.67 3fry h ASP 52 Cb 0.58 -0.15 -0.02 0.00 0.68 0.00 0.00 39.33 40.42 3fry h ASP 52 CO -0.24 0.45 0.28 0.50 -1.61 0.00 0.00 179.24 178.61 3fry h LYS 53 N 0.77 0.76 -0.57 0.28 3.64 -1.56 -0.80 116.57 119.09 3fry h LYS 53 Ca 0.30 -0.10 -0.11 0.00 -1.27 0.00 0.00 60.65 59.47 3fry h LYS 53 Cb 0.20 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 31.86 3fry h LYS 53 CO -0.10 0.60 -0.07 1.88 -2.27 0.00 0.00 179.45 179.50 3fry h TYR 54 N 0.72 1.17 -0.66 1.91 0.05 0.26 -2.13 116.97 118.29 3fry h TYR 54 Ca 0.19 -0.23 -0.02 0.00 0.05 0.00 0.00 58.73 58.72 3fry h TYR 54 Cb 0.08 -0.30 -0.03 0.00 1.01 0.00 0.00 36.73 37.49 3fry h TYR 54 CO -0.01 1.06 0.36 0.82 -1.05 0.00 0.00 178.16 179.33 3fry h ILE 55 N 0.95 1.21 -0.62 -2.88 2.04 -0.86 -2.30 117.51 115.06 3fry h ILE 55 Ca 0.15 -0.54 -0.04 0.00 1.00 0.00 0.00 64.86 65.43 3fry h ILE 55 Cb 0.64 0.36 -0.03 0.00 -0.74 0.00 0.00 36.82 37.05 3fry h ILE 55 CO 0.04 0.23 0.22 0.11 0.00 0.00 0.00 178.15 178.76 3fry h LYS 56 N 0.91 0.92 -0.64 2.37 1.79 -0.96 -1.80 116.57 119.16 3fry h LYS 56 Ca 0.23 -0.16 -0.06 0.00 -2.18 0.00 0.00 60.65 58.48 3fry h LYS 56 Cb 0.05 -0.15 -0.03 0.00 -1.58 0.00 0.00 32.23 30.52 3fry h LYS 56 CO -0.04 0.77 0.16 0.00 -1.08 0.00 0.00 179.45 179.27 3fry h ALA 57 N 1.34 1.07 -0.35 3.86 0.00 -0.97 0.12 119.26 124.33 3fry h ALA 57 Ca 0.21 -0.23 -0.08 0.00 0.00 0.00 0.00 54.91 54.81 3fry h ALA 57 Cb 0.22 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 3fry h ALA 57 CO -0.01 0.62 -0.10 0.28 0.00 0.00 0.00 179.25 180.03 3fry h VAL 58 N 0.96 1.28 -0.47 0.00 2.07 -1.02 -1.44 116.25 117.64 3fry h VAL 58 Ca 0.21 -1.17 -0.04 0.00 0.82 0.00 0.00 66.70 66.51 3fry h VAL 58 Cb 0.34 1.32 -0.02 0.00 -1.52 0.00 0.00 31.29 31.41 3fry h VAL 58 CO -0.00 0.38 0.13 -0.33 0.02 0.00 0.00 177.57 177.78 3fry h GLU 59 N 0.47 0.74 0.00 1.57 5.08 -1.12 -1.87 114.58 119.45 3fry h GLU 59 Ca 0.09 -0.17 -0.02 0.00 -1.00 0.00 0.00 59.36 58.26 3fry h GLU 59 Cb 0.61 -0.10 -0.00 0.00 0.50 0.00 0.00 28.75 29.76 3fry h GLU 59 CO 0.04 0.72 -0.09 0.00 -1.00 0.00 0.00 179.01 178.67 3fry h ALA 60 N 0.99 1.74 0.00 3.43 0.00 -0.66 0.36 119.26 125.13 3fry h ALA 60 Ca 0.15 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3fry h ALA 60 Cb 0.29 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.07 3fry h ALA 60 CO -0.00 0.12 0.00 0.00 0.00 0.00 0.00 179.25 179.36 3fry n ALA 61 N -2.47 2.05 0.00 0.00 0.00 -0.55 -4.89 120.51 114.64 3fry n ALA 61 Ca -0.03 -0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.39 3fry n ALA 61 Cb 0.17 -1.41 0.00 0.00 0.00 0.00 0.00 19.45 18.21 3fry n ALA 61 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3fry n GLY 62 N 0.83 1.39 0.50 0.00 0.00 0.12 -5.02 105.19 103.01 3fry n GLY 62 Ca 0.05 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.03 3fry n GLY 62 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3fry n TYR 63 N -0.86 0.02 -5.04 1.61 4.02 -0.81 -5.01 117.16 111.10 3fry n TYR 63 Ca 0.00 -0.39 -0.30 0.00 -0.01 0.00 0.00 57.90 57.21 3fry n TYR 63 Cb 0.00 -0.00 -0.15 0.00 -0.02 0.00 0.00 39.34 39.17 3fry n TYR 63 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 176.86 175.20 3fry s GLN 64 N -2.23 1.87 0.01 -0.72 -0.21 -1.26 -3.50 119.66 113.61 3fry s GLN 64 Ca 0.03 -1.00 -0.01 0.00 0.02 0.00 0.00 55.36 54.40 3fry s GLN 64 Cb 0.00 -1.93 -0.01 0.00 1.00 0.00 0.00 33.01 32.07 3fry s GLN 64 CO 0.02 0.51 0.01 0.00 -2.12 0.00 0.00 175.29 173.71 3fry s ALA 65 N -0.71 0.01 -0.03 6.09 0.00 -1.26 -4.96 121.76 120.90 3fry s ALA 65 Ca 0.10 -0.27 -0.02 0.00 0.00 0.00 0.00 51.96 51.77 3fry s ALA 65 Cb -0.10 0.07 0.02 0.00 0.00 0.00 0.00 23.12 23.11 3fry s ALA 65 CO 0.01 -0.10 0.08 0.21 0.00 0.00 0.00 175.76 175.95 3fry s LYS 66 N -0.83 0.05 0.25 0.00 2.20 -1.26 -5.00 119.74 115.15 3fry s LYS 66 Ca -0.09 0.19 -0.30 0.00 -0.36 0.00 0.00 55.97 55.41 3fry s LYS 66 Cb -0.06 -0.09 -0.09 0.00 -1.51 0.00 0.00 37.83 36.08 3fry s LYS 66 CO -0.00 -0.09 1.33 -1.17 -0.36 0.00 0.00 175.35 175.05 3fry s LEU 67 N 0.59 4.42 -0.33 5.43 2.96 -1.26 -4.99 118.68 125.50 3fry s LEU 67 Ca -0.05 2.52 -0.09 0.00 -0.22 0.00 0.00 54.13 56.30 3fry s LEU 67 Cb -0.06 -3.62 0.01 0.00 0.50 0.00 0.00 46.19 43.01 3fry s LEU 67 CO -0.02 -0.54 0.14 -0.60 -1.32 0.00 0.00 176.35 174.00 3fry s ARG 68 N -0.67 3.03 0.22 1.98 3.52 -1.26 -5.06 118.95 120.72 3fry s ARG 68 Ca 0.55 -0.92 -0.23 0.00 -0.13 0.00 0.00 55.73 55.00 3fry s ARG 68 Cb -0.38 -3.54 0.04 0.00 -1.56 0.00 0.00 34.95 29.50 3fry s ARG 68 CO 0.43 -0.54 0.82 -1.54 -0.81 0.00 0.00 175.30 173.66 3fry s SER 69 N 1.54 -0.23 1.13 -2.12 1.04 -1.26 -5.17 113.70 108.63 3fry s SER 69 Ca 0.02 -0.51 -0.19 0.00 0.48 0.00 0.00 55.95 55.76 3fry s SER 69 Cb -0.18 0.63 0.26 0.00 0.10 0.00 0.00 66.02 66.83 3fry s SER 69 CO 0.05 -1.16 1.19 -0.94 0.98 0.00 0.00 173.24 173.36 3fry s SER 70 N -2.92 1.56 0.38 7.02 1.04 -1.26 -4.93 113.70 114.58 3fry s SER 70 Ca 0.11 0.46 0.28 0.00 0.48 0.00 0.00 55.95 57.28 3fry s SER 70 Cb -0.04 -0.60 1.10 0.00 0.10 0.00 0.00 66.02 66.57 3fry s SER 70 CO 0.05 -3.71 1.82 0.00 0.98 0.00 0.00 173.24 172.37 3fry h ALA 71 N -2.31 1.00 -2.64 5.32 0.00 -2.05 -3.44 119.26 115.15 3fry h ALA 71 Ca -0.44 0.00 -0.48 0.00 0.00 0.00 0.00 54.91 53.99 3fry h ALA 71 Cb 1.27 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.04 3fry h ALA 71 CO 0.34 0.00 0.35 -1.58 0.00 0.00 0.00 179.25 178.36 3fry s TRP 72 N -3.44 3.87 -2.43 0.00 0.51 -1.26 -5.33 118.94 110.85 3fry s TRP 72 Ca 0.04 1.86 0.29 0.00 -2.12 0.00 0.00 56.10 56.16 3fry s TRP 72 Cb 0.09 -2.97 1.17 0.00 -0.81 0.00 0.00 33.47 30.95 3fry s TRP 72 CO 0.47 0.34 1.81 -1.13 -0.51 0.00 0.00 176.95 177.94