#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sph s GLN 3 N 0.00 0.94 -0.09 0.00 -0.21 -1.26 -1.64 119.66 117.40 1sph s GLN 3 Ca 0.00 -1.34 -0.05 0.00 0.02 0.00 0.00 55.36 53.99 1sph s GLN 3 Cb 0.00 0.27 0.04 0.00 1.00 0.00 0.00 33.01 34.32 1sph s GLN 3 CO 0.00 -0.28 0.21 0.21 -2.12 0.00 0.00 175.29 173.31 1sph s LYS 4 N -4.01 0.17 0.05 2.91 2.20 -0.46 -5.01 119.74 115.59 1sph s LYS 4 Ca 0.20 0.46 0.02 0.00 -0.36 0.00 0.00 55.97 56.29 1sph s LYS 4 Cb 0.07 -0.12 -0.04 0.00 -1.51 0.00 0.00 37.83 36.23 1sph s LYS 4 CO -0.00 -0.15 0.08 0.99 -0.36 0.00 0.00 175.35 175.91 1sph s THR 5 N 1.13 4.61 0.26 3.43 2.01 -1.26 -1.05 115.64 124.78 1sph s THR 5 Ca -0.08 -0.64 0.02 0.00 0.31 0.00 0.00 61.69 61.29 1sph s THR 5 Cb -0.10 -3.18 -0.04 0.00 0.01 0.00 0.00 72.50 69.18 1sph s THR 5 CO -0.07 0.20 0.13 -0.36 -0.69 0.00 0.00 174.62 173.83 1sph s PHE 6 N -1.32 1.49 -0.14 4.92 0.40 0.37 -4.98 117.98 118.72 1sph s PHE 6 Ca 0.27 -1.30 0.02 0.00 -0.60 0.00 0.00 56.93 55.33 1sph s PHE 6 Cb -0.12 -0.82 0.01 0.00 0.51 0.00 0.00 43.02 42.60 1sph s PHE 6 CO 0.19 -0.47 -0.21 0.21 0.70 0.00 0.00 175.22 175.64 1sph s LYS 7 N -3.97 3.06 0.01 0.44 2.36 -1.26 -1.33 119.74 119.05 1sph s LYS 7 Ca 0.37 -0.84 -0.29 0.00 -2.55 0.00 0.00 55.97 52.66 1sph s LYS 7 Cb 0.07 -2.46 -0.03 0.00 -1.05 0.00 0.00 37.83 34.36 1sph s LYS 7 CO 0.15 0.01 0.95 0.08 1.55 0.00 0.00 175.35 178.09 1sph s VAL 8 N 0.76 4.84 0.00 4.02 1.01 -0.23 -1.58 120.40 129.22 1sph s VAL 8 Ca -0.08 1.99 0.00 0.00 0.00 0.00 0.00 61.98 63.89 1sph s VAL 8 Cb -0.16 -4.29 0.00 0.00 0.00 0.00 0.00 36.38 31.93 1sph s VAL 8 CO -0.00 0.19 0.65 0.35 0.00 0.00 0.00 175.10 176.29 1sph n THR 9 N 3.73 0.43 -2.11 3.92 -2.24 0.12 -1.45 114.28 116.68 1sph n THR 9 Ca 0.05 -0.54 -0.42 0.00 -2.27 0.00 0.00 64.05 60.86 1sph n THR 9 Cb 0.51 0.91 -0.03 0.00 -2.10 0.00 0.00 70.33 69.62 1sph n THR 9 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1sph s ALA 10 N -0.43 3.63 0.42 6.98 0.00 -1.03 -4.89 121.76 126.45 1sph s ALA 10 Ca 0.00 1.14 0.12 0.00 0.00 0.00 0.00 51.96 53.22 1sph s ALA 10 Cb 0.00 -3.58 0.96 0.00 0.00 0.00 0.00 23.12 20.50 1sph s ALA 10 CO 0.00 -0.74 1.98 -0.44 0.00 0.00 0.00 175.76 176.56 1sph h ASP 11 N 7.12 0.44 -0.61 0.00 3.32 -1.94 0.13 116.42 124.88 1sph h ASP 11 Ca -0.42 0.01 0.00 0.00 0.02 0.00 0.00 57.03 56.64 1sph h ASP 11 Cb 1.20 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 40.67 1sph h ASP 11 CO 0.89 0.27 0.00 -1.20 -1.72 0.00 0.00 179.24 177.48 1sph n SER 12 N -4.48 5.15 -0.40 6.45 7.64 -1.26 -4.47 113.62 122.25 1sph n SER 12 Ca 0.10 -2.66 0.00 0.00 1.01 0.00 0.00 58.87 57.32 1sph n SER 12 Cb 0.33 -0.63 0.00 0.00 -1.01 0.00 0.00 64.21 62.90 1sph n SER 12 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1sph n GLY 13 N 0.89 -0.99 3.49 0.23 0.00 0.44 -4.14 105.19 105.12 1sph n GLY 13 Ca 0.26 -1.13 -0.44 0.00 0.00 0.00 0.00 46.02 44.72 1sph n GLY 13 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1sph s ILE 14 N 0.00 4.79 0.72 -0.61 -1.09 -0.20 -4.82 121.20 119.99 1sph s ILE 14 Ca 0.00 -2.38 -0.04 0.00 -2.23 0.00 0.00 60.65 55.99 1sph s ILE 14 Cb 0.00 -4.97 0.15 0.00 -1.58 0.00 0.00 42.46 36.06 1sph s ILE 14 CO 0.00 -1.71 0.98 0.00 -1.23 0.00 0.00 174.94 172.98 1sph n HIS 15 N 6.36 -3.25 -0.22 3.97 1.44 -1.26 -4.58 115.22 117.68 1sph n HIS 15 Ca 0.39 -1.45 0.01 0.00 -2.01 0.00 0.00 57.72 54.65 1sph n HIS 15 Cb 0.44 -0.73 0.09 0.00 0.12 0.00 0.00 29.99 29.91 1sph n HIS 15 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1sph h ALA 16 N -0.92 0.55 0.22 1.59 0.00 -1.97 -2.27 119.26 116.47 1sph h ALA 16 Ca -0.32 0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 1sph h ALA 16 Cb 1.10 0.43 0.00 0.00 0.00 0.00 0.00 17.79 19.31 1sph h ALA 16 CO 0.31 -0.42 -0.10 -0.09 0.00 0.00 0.00 179.25 178.95 1sph h ARG 17 N 0.05 -0.28 -0.94 0.00 2.43 -1.97 -0.42 114.38 113.25 1sph h ARG 17 Ca 0.33 0.02 0.05 0.00 -0.81 0.00 0.00 59.98 59.57 1sph h ARG 17 Cb 0.54 0.06 -0.06 0.00 -0.42 0.00 0.00 29.97 30.09 1sph h ARG 17 CO -0.62 -0.15 0.61 -1.35 -1.51 0.00 0.00 179.97 176.95 1sph h PRO 18 N -0.34 1.11 -0.51 0.20 0.11 -1.87 -1.85 132.00 128.85 1sph h PRO 18 Ca -0.03 -0.07 -0.06 0.00 0.11 0.00 0.00 66.00 65.96 1sph h PRO 18 Cb 0.26 -0.25 -0.02 0.00 0.11 0.00 0.00 31.00 31.10 1sph h PRO 18 CO 0.05 0.74 0.09 0.00 -0.21 0.00 0.00 178.00 178.66 1sph h ALA 19 N 1.40 0.67 -0.30 -0.75 0.00 -1.27 -2.36 119.26 116.66 1sph h ALA 19 Ca 0.39 -0.23 0.04 0.00 0.00 0.00 0.00 54.91 55.10 1sph h ALA 19 Cb 0.07 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.63 1sph h ALA 19 CO -0.14 0.40 0.07 1.15 0.00 0.00 0.00 179.25 180.73 1sph h THR 20 N 0.71 0.88 -0.37 0.00 2.02 -0.80 -2.07 112.91 113.28 1sph h THR 20 Ca 0.15 -0.07 -0.09 0.00 0.77 0.00 0.00 66.41 67.18 1sph h THR 20 Cb 0.39 0.67 -0.02 0.00 -1.74 0.00 0.00 68.15 67.45 1sph h THR 20 CO 0.01 0.03 -0.12 -0.37 0.37 0.00 0.00 175.52 175.44 1sph h VAL 21 N 0.19 1.25 0.46 3.16 -1.51 -1.18 -1.18 116.25 117.45 1sph h VAL 21 Ca 0.14 -1.13 -0.02 0.00 -1.23 0.00 0.00 66.70 64.46 1sph h VAL 21 Cb 0.13 1.10 0.00 0.00 -2.13 0.00 0.00 31.29 30.40 1sph h VAL 21 CO -0.17 0.38 -0.22 -0.07 -1.23 0.00 0.00 177.57 176.26 1sph h LEU 22 N 0.60 -0.52 -0.21 4.19 3.38 -1.28 -2.31 115.31 119.16 1sph h LEU 22 Ca 0.10 -0.04 0.04 0.00 0.09 0.00 0.00 57.88 58.07 1sph h LEU 22 Cb 0.56 0.14 -0.04 0.00 0.09 0.00 0.00 40.66 41.41 1sph h LEU 22 CO 0.04 -0.28 -0.02 0.58 0.09 0.00 0.00 178.44 178.85 1sph h VAL 23 N -0.75 0.83 -0.60 1.22 2.07 -1.39 -0.87 116.25 116.76 1sph h VAL 23 Ca -0.06 -0.01 0.02 0.00 0.82 0.00 0.00 66.70 67.47 1sph h VAL 23 Cb 0.54 0.79 -0.03 0.00 -1.52 0.00 0.00 31.29 31.06 1sph h VAL 23 CO 0.10 0.01 0.39 1.56 0.02 0.00 0.00 177.57 179.66 1sph h GLN 24 N 0.04 0.72 -0.10 1.57 4.20 -1.17 -1.94 115.11 118.42 1sph h GLN 24 Ca 0.10 -0.04 -0.05 0.00 0.06 0.00 0.00 58.65 58.72 1sph h GLN 24 Cb 0.14 -0.16 -0.00 0.00 0.30 0.00 0.00 27.48 27.75 1sph h GLN 24 CO -0.19 0.48 -0.12 1.15 -0.67 0.00 0.00 178.83 179.48 1sph h THR 25 N 0.74 1.37 -0.66 -0.54 2.02 -0.82 -3.30 112.91 111.72 1sph h THR 25 Ca 0.23 -1.31 0.01 0.00 0.77 0.00 0.00 66.41 66.10 1sph h THR 25 Cb 0.01 2.00 -0.03 0.00 -1.74 0.00 0.00 68.15 68.39 1sph h THR 25 CO -0.06 0.37 0.43 0.00 0.37 0.00 0.00 175.52 176.64 1sph h ALA 26 N 0.56 1.52 0.00 6.16 0.00 -1.00 -2.96 119.26 123.55 1sph h ALA 26 Ca 0.01 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 1sph h ALA 26 Cb 0.66 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 18.18 1sph h ALA 26 CO 0.03 0.44 -0.05 0.77 0.00 0.00 0.00 179.25 180.44 1sph h SER 27 N 0.90 0.00 0.76 0.00 0.02 -1.43 -3.05 113.55 110.75 1sph h SER 27 Ca 0.24 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.19 1sph h SER 27 Cb -0.10 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.44 1sph h SER 27 CO -0.05 0.05 -0.03 0.29 -1.14 0.00 0.00 176.83 175.95 1sph n LYS 28 N -3.48 0.22 -4.04 3.45 5.02 -1.12 -4.85 118.16 113.37 1sph n LYS 28 Ca -0.02 -0.01 -0.30 0.00 -2.02 0.00 0.00 58.31 55.95 1sph n LYS 28 Cb 0.16 -1.50 -0.06 0.00 -0.02 0.00 0.00 35.03 33.61 1sph n LYS 28 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 1sph s TYR 29 N -2.79 3.22 -0.11 2.13 2.02 -1.15 -5.04 117.35 115.64 1sph s TYR 29 Ca 0.21 0.09 0.15 0.00 -0.37 0.00 0.00 57.07 57.15 1sph s TYR 29 Cb 0.20 -1.63 -0.06 0.00 -0.40 0.00 0.00 41.96 40.06 1sph s TYR 29 CO 0.50 0.53 1.12 -0.44 -1.57 0.00 0.00 175.55 175.69 1sph h ASP 30 N 3.26 0.00 -3.23 2.29 3.32 -1.88 -3.47 116.42 116.70 1sph h ASP 30 Ca -0.46 0.00 -0.58 0.00 0.02 0.00 0.00 57.03 56.01 1sph h ASP 30 Cb 1.16 0.00 0.17 0.00 0.22 0.00 0.00 39.33 40.88 1sph h ASP 30 CO 0.67 0.60 -0.14 0.00 -1.72 0.00 0.00 179.24 178.65 1sph n ALA 31 N -2.33 -0.52 -2.42 3.45 0.00 -1.26 -4.92 120.51 112.51 1sph n ALA 31 Ca -0.04 -0.00 -0.41 0.00 0.00 0.00 0.00 53.44 52.98 1sph n ALA 31 Cb 0.81 -1.96 -0.04 0.00 0.00 0.00 0.00 19.45 18.26 1sph n ALA 31 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1sph s ASP 32 N -1.20 7.45 -0.15 0.00 1.01 0.32 -4.78 116.67 119.32 1sph s ASP 32 Ca 0.72 1.74 0.01 0.00 0.71 0.00 0.00 52.55 55.73 1sph s ASP 32 Cb -0.44 -2.58 0.00 0.00 1.01 0.00 0.00 42.92 40.91 1sph s ASP 32 CO 0.51 -0.13 -0.18 -0.69 0.21 0.00 0.00 175.17 174.89 1sph s VAL 33 N 0.35 2.42 0.08 -1.27 1.01 -1.26 -1.45 120.40 120.28 1sph s VAL 33 Ca 0.49 -0.86 0.03 0.00 0.00 0.00 0.00 61.98 61.63 1sph s VAL 33 Cb -0.22 -2.00 -0.04 0.00 0.00 0.00 0.00 36.38 34.12 1sph s VAL 33 CO 0.29 0.53 -0.08 0.20 0.00 0.00 0.00 175.10 176.04 1sph s ASN 34 N 0.82 1.19 -0.09 3.32 -0.87 -0.31 -0.59 114.94 118.40 1sph s ASN 34 Ca -0.06 -0.83 0.03 0.00 -1.57 0.00 0.00 52.86 50.43 1sph s ASN 34 Cb -0.15 0.05 0.01 0.00 -0.02 0.00 0.00 41.25 41.13 1sph s ASN 34 CO -0.01 -0.33 -0.18 -0.22 -2.57 0.00 0.00 177.10 173.79 1sph s LEU 35 N -2.49 1.85 0.04 0.60 2.96 -0.75 -1.04 118.68 119.85 1sph s LEU 35 Ca 0.04 -0.44 0.07 0.00 -0.22 0.00 0.00 54.13 53.59 1sph s LEU 35 Cb -0.01 -1.13 -0.02 0.00 0.50 0.00 0.00 46.19 45.53 1sph s LEU 35 CO -0.02 0.08 -0.20 -0.70 -1.32 0.00 0.00 176.35 174.20 1sph s GLU 36 N 0.60 1.34 -0.12 1.98 2.12 0.12 -2.02 118.70 122.72 1sph s GLU 36 Ca -0.15 -0.90 -0.04 0.00 0.36 0.00 0.00 54.97 54.24 1sph s GLU 36 Cb -0.16 -1.43 0.06 0.00 0.26 0.00 0.00 34.13 32.85 1sph s GLU 36 CO 0.05 0.37 0.23 -0.47 -0.54 0.00 0.00 175.26 174.89 1sph s TYR 37 N -0.78 -0.35 -1.59 5.30 5.04 -0.42 -1.70 117.35 122.86 1sph s TYR 37 Ca 0.07 0.84 -0.07 0.00 -2.44 0.00 0.00 57.07 55.46 1sph s TYR 37 Cb -0.09 -0.12 0.07 0.00 0.35 0.00 0.00 41.96 42.18 1sph s TYR 37 CO 0.01 -0.34 0.37 0.09 -1.34 0.00 0.00 175.55 174.35 1sph n ASN 38 N 5.34 -0.69 0.00 4.32 4.13 -1.26 -2.10 115.26 125.01 1sph n ASN 38 Ca -0.06 -1.14 0.00 0.00 1.68 0.00 0.00 54.58 55.07 1sph n ASN 38 Cb 0.50 -2.27 0.00 0.00 -1.54 0.00 0.00 39.78 36.46 1sph n ASN 38 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1sph n GLY 39 N -1.94 2.00 3.78 7.41 0.00 -1.26 -5.05 105.19 110.14 1sph n GLY 39 Ca -0.18 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.48 1sph n GLY 39 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1sph s LYS 40 N -0.38 3.98 -0.06 1.61 1.02 -0.89 -5.11 119.74 119.92 1sph s LYS 40 Ca 0.00 0.04 0.06 0.00 0.02 0.00 0.00 55.97 56.09 1sph s LYS 40 Cb 0.00 -3.33 -0.01 0.00 -0.52 0.00 0.00 37.83 33.97 1sph s LYS 40 CO 0.00 0.46 -0.23 0.99 -0.92 0.00 0.00 175.35 175.65 1sph s THR 41 N -0.19 1.90 0.14 2.17 2.01 -1.26 -1.30 115.64 119.12 1sph s THR 41 Ca 0.16 -0.98 0.04 0.00 0.31 0.00 0.00 61.69 61.22 1sph s THR 41 Cb -0.13 -1.62 -0.04 0.00 0.01 0.00 0.00 72.50 70.72 1sph s THR 41 CO 0.05 0.53 -0.09 0.68 -0.69 0.00 0.00 174.62 175.10 1sph s VAL 42 N -0.09 1.06 0.01 3.82 -7.23 -0.85 -4.99 120.40 112.12 1sph s VAL 42 Ca -0.04 -2.04 -0.30 0.00 -1.81 0.00 0.00 61.98 57.79 1sph s VAL 42 Cb -0.13 -1.83 -0.03 0.00 0.56 0.00 0.00 36.38 34.94 1sph s VAL 42 CO 0.04 -0.76 1.02 0.21 -0.31 0.00 0.00 175.10 175.29 1sph s ASN 43 N -3.15 7.32 0.04 4.85 3.84 -1.26 -1.81 114.94 124.78 1sph s ASN 43 Ca 0.16 1.72 0.21 0.00 0.21 0.00 0.00 52.86 55.16 1sph s ASN 43 Cb 0.03 -2.57 0.87 0.00 -0.55 0.00 0.00 41.25 39.03 1sph s ASN 43 CO -0.00 -0.30 1.66 -0.11 -2.79 0.00 0.00 177.10 175.56 1sph n LEU 44 N 3.94 0.13 -1.21 3.21 7.94 0.24 -1.58 117.00 129.67 1sph n LEU 44 Ca 0.07 0.52 0.08 0.00 -1.11 0.00 0.00 56.01 55.57 1sph n LEU 44 Cb 0.50 -0.50 0.27 0.00 0.53 0.00 0.00 43.42 44.22 1sph n LEU 44 CO 0.53 -0.20 0.72 0.29 -1.11 0.00 0.00 177.39 177.61 1sph n LYS 45 N -1.64 2.83 -3.90 1.96 5.02 -1.26 -4.05 118.16 117.13 1sph n LYS 45 Ca 0.05 -2.15 -0.33 0.00 -2.02 0.00 0.00 58.31 53.86 1sph n LYS 45 Cb 0.25 -1.64 -0.13 0.00 -0.02 0.00 0.00 35.03 33.49 1sph n LYS 45 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1sph s ASP 46 N -0.87 4.78 0.25 4.39 2.15 -0.62 -4.98 116.67 121.78 1sph s ASP 46 Ca 0.39 -2.56 -0.03 0.00 0.43 0.00 0.00 52.55 50.79 1sph s ASP 46 Cb 0.23 -1.71 0.50 0.00 -0.30 0.00 0.00 42.92 41.65 1sph s ASP 46 CO 0.21 -0.35 1.74 -0.29 -0.17 0.00 0.00 175.17 176.30 1sph h ILE 47 N 5.95 0.66 0.28 4.11 2.10 -1.85 -2.11 117.51 126.64 1sph h ILE 47 Ca -0.06 -0.17 0.00 0.00 1.08 0.00 0.00 64.86 65.71 1sph h ILE 47 Cb 0.97 0.13 -0.03 0.00 -1.09 0.00 0.00 36.82 36.79 1sph h ILE 47 CO 0.64 0.09 -0.44 0.24 -1.08 0.00 0.00 178.15 177.60 1sph h MET 48 N 0.49 -0.75 -0.47 2.19 2.86 -1.94 -2.23 114.93 115.08 1sph h MET 48 Ca 0.44 0.05 0.07 0.00 -2.06 0.00 0.00 59.70 58.20 1sph h MET 48 Cb 0.67 0.17 -0.06 0.00 0.06 0.00 0.00 31.60 32.44 1sph h MET 48 CO -0.40 -0.50 0.13 0.78 1.06 0.00 0.00 176.91 177.98 1sph h GLY 49 N -0.78 0.60 0.24 8.32 0.00 -1.83 -1.94 103.07 107.68 1sph h GLY 49 Ca -0.01 -0.06 0.05 0.00 0.00 0.00 0.00 47.33 47.31 1sph h GLY 49 CO -0.16 -0.02 -0.24 -2.08 0.00 0.00 0.00 176.54 174.05 1sph h VAL 50 N 0.29 0.42 0.00 4.60 2.07 -1.32 -2.31 116.25 119.99 1sph h VAL 50 Ca 0.23 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.72 1sph h VAL 50 Cb 0.27 0.42 -0.00 0.00 -1.52 0.00 0.00 31.29 30.45 1sph h VAL 50 CO -0.26 0.00 -0.15 0.24 0.02 0.00 0.00 177.57 177.41 1sph h MET 51 N -0.27 0.00 -0.09 1.57 2.07 -0.91 -3.04 114.93 114.27 1sph h MET 51 Ca 0.12 0.00 -0.05 0.00 -2.07 0.00 0.00 59.70 57.70 1sph h MET 51 Cb 0.45 0.00 -0.01 0.00 -1.87 0.00 0.00 31.60 30.17 1sph h MET 51 CO -0.34 0.15 -0.17 0.66 1.07 0.00 0.00 176.91 178.28 1sph h SER 52 N 0.00 0.13 0.62 1.22 4.64 -0.78 -3.10 113.55 116.28 1sph h SER 52 Ca -0.00 -0.03 -0.05 0.00 -0.47 0.00 0.00 61.79 61.24 1sph h SER 52 Cb 0.42 -0.04 -0.01 0.00 -0.31 0.00 0.00 62.40 62.46 1sph h SER 52 CO 0.02 0.32 -0.24 -0.07 -0.87 0.00 0.00 176.83 175.99 1sph h LEU 53 N 0.13 0.00 -1.81 5.97 3.38 -1.47 -3.48 115.31 118.04 1sph h LEU 53 Ca 0.03 0.00 -0.50 0.00 0.09 0.00 0.00 57.88 57.50 1sph h LEU 53 Cb 0.39 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.09 1sph h LEU 53 CO 0.03 0.24 -0.87 0.61 0.09 0.00 0.00 178.44 178.53 1sph n GLY 54 N -0.23 -0.25 3.67 0.83 0.00 -1.17 -4.92 105.19 103.12 1sph n GLY 54 Ca -0.01 0.15 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 1sph n GLY 54 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1sph s ILE 55 N -3.87 3.77 0.35 -0.61 1.01 -1.26 -4.98 121.20 115.61 1sph s ILE 55 Ca 0.08 1.00 0.07 0.00 0.00 0.00 0.00 60.65 61.80 1sph s ILE 55 Cb -0.04 -3.64 -0.01 0.00 0.01 0.00 0.00 42.46 38.77 1sph s ILE 55 CO 0.88 -0.07 0.41 0.00 0.00 0.00 0.00 174.94 176.16 1sph s ALA 56 N 3.53 4.11 0.34 9.38 0.00 -1.26 -1.04 121.76 136.82 1sph s ALA 56 Ca 0.67 -1.59 -0.26 0.00 0.00 0.00 0.00 51.96 50.77 1sph s ALA 56 Cb -0.30 -1.43 -0.13 0.00 0.00 0.00 0.00 23.12 21.27 1sph s ALA 56 CO 0.25 -0.06 0.99 1.17 0.00 0.00 0.00 175.76 178.11 1sph n LYS 57 N -1.55 1.35 -0.12 0.00 4.81 -1.25 -2.77 118.16 118.62 1sph n LYS 57 Ca 0.00 0.48 0.00 0.00 -0.87 0.00 0.00 58.31 57.92 1sph n LYS 57 Cb 0.59 -1.91 0.00 0.00 0.02 0.00 0.00 35.03 33.73 1sph n LYS 57 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1sph n GLY 58 N 1.22 1.14 3.89 3.14 0.00 -0.53 -5.00 105.19 109.05 1sph n GLY 58 Ca 0.09 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.82 1sph n GLY 58 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sph s ALA 59 N -2.55 2.94 -0.07 4.61 0.00 -1.11 -4.76 121.76 120.82 1sph s ALA 59 Ca 0.00 -0.43 0.01 0.00 0.00 0.00 0.00 51.96 51.54 1sph s ALA 59 Cb 0.00 -2.95 -0.03 0.00 0.00 0.00 0.00 23.12 20.14 1sph s ALA 59 CO 0.00 -1.14 -0.07 -2.00 0.00 0.00 0.00 175.76 172.56 1sph s GLU 60 N -5.32 2.76 0.06 0.00 2.12 -1.26 -1.07 118.70 115.99 1sph s GLU 60 Ca 0.58 -0.54 0.02 0.00 0.36 0.00 0.00 54.97 55.39 1sph s GLU 60 Cb -0.11 -2.60 -0.03 0.00 0.26 0.00 0.00 34.13 31.65 1sph s GLU 60 CO 0.50 0.66 -0.07 0.96 -0.54 0.00 0.00 175.26 176.78 1sph s ILE 61 N -0.80 0.58 -0.08 -3.70 -4.36 -0.44 -4.56 121.20 107.84 1sph s ILE 61 Ca 0.12 -1.39 0.05 0.00 -0.26 0.00 0.00 60.65 59.17 1sph s ILE 61 Cb -0.11 -1.00 -0.00 0.00 1.25 0.00 0.00 42.46 42.60 1sph s ILE 61 CO 0.01 -0.57 -0.23 -0.89 0.24 0.00 0.00 174.94 173.51 1sph s THR 62 N -2.22 1.92 -0.22 8.37 2.01 -0.69 -0.48 115.64 124.34 1sph s THR 62 Ca -0.02 -0.96 -0.09 0.00 0.31 0.00 0.00 61.69 60.92 1sph s THR 62 Cb -0.04 -1.66 -0.05 0.00 0.01 0.00 0.00 72.50 70.76 1sph s THR 62 CO -0.02 0.53 0.13 -0.63 -0.69 0.00 0.00 174.62 173.94 1sph s ILE 63 N 0.19 5.15 -0.02 1.82 1.01 -0.21 0.10 121.20 129.23 1sph s ILE 63 Ca -0.13 0.10 0.06 0.00 0.00 0.00 0.00 60.65 60.68 1sph s ILE 63 Cb -0.16 -3.38 -0.02 0.00 0.01 0.00 0.00 42.46 38.91 1sph s ILE 63 CO 0.06 0.38 -0.19 -0.44 0.00 0.00 0.00 174.94 174.75 1sph s SER 64 N 0.87 3.63 -0.03 3.58 0.01 -0.21 -1.36 113.70 120.19 1sph s SER 64 Ca 0.06 -0.33 -0.00 0.00 1.31 0.00 0.00 55.95 56.99 1sph s SER 64 Cb -0.13 -0.62 0.03 0.00 0.21 0.00 0.00 66.02 65.51 1sph s SER 64 CO 0.03 0.32 0.02 0.00 0.41 0.00 0.00 173.24 174.02 1sph s ALA 65 N -0.72 0.19 -0.06 1.44 0.00 -0.65 -1.16 121.76 120.79 1sph s ALA 65 Ca 0.11 0.24 -0.01 0.00 0.00 0.00 0.00 51.96 52.30 1sph s ALA 65 Cb -0.10 -0.33 0.03 0.00 0.00 0.00 0.00 23.12 22.71 1sph s ALA 65 CO 0.01 -0.16 0.01 -1.12 0.00 0.00 0.00 175.76 174.50 1sph s SER 66 N 1.23 1.42 0.00 0.00 0.01 -0.53 -1.30 113.70 114.53 1sph s SER 66 Ca -0.07 -0.04 0.00 0.00 1.31 0.00 0.00 55.95 57.15 1sph s SER 66 Cb -0.13 -0.36 0.00 0.00 0.21 0.00 0.00 66.02 65.74 1sph s SER 66 CO -0.03 -0.20 0.00 0.61 0.41 0.00 0.00 173.24 174.03 1sph n GLY 67 N 5.12 0.92 0.31 3.44 0.00 -1.26 -0.52 105.19 113.19 1sph n GLY 67 Ca -0.07 -1.95 0.06 0.00 0.00 0.00 0.00 46.02 44.06 1sph n GLY 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sph n ALA 68 N -1.00 0.22 -2.09 4.61 0.00 -1.26 -1.64 120.51 119.36 1sph n ALA 68 Ca 0.00 0.93 -0.14 0.00 0.00 0.00 0.00 53.44 54.23 1sph n ALA 68 Cb 0.00 -0.57 0.06 0.00 0.00 0.00 0.00 19.45 18.94 1sph n ALA 68 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1sph n ASP 69 N -5.37 3.73 0.27 0.00 5.75 -1.26 -4.85 116.55 114.82 1sph n ASP 69 Ca 0.14 -3.46 0.17 0.00 -0.01 0.00 0.00 54.79 51.64 1sph n ASP 69 Cb 0.44 -0.39 0.68 0.00 -1.03 0.00 0.00 41.12 40.82 1sph n ASP 69 CO 0.00 0.00 0.00 1.05 -0.11 0.00 0.00 177.20 178.14 1sph h GLU 70 N 1.99 0.00 -0.02 0.11 4.11 -1.63 -1.40 114.58 117.74 1sph h GLU 70 Ca 0.21 0.00 -0.20 0.00 0.07 0.00 0.00 59.36 59.44 1sph h GLU 70 Cb 1.42 0.00 0.02 0.00 0.50 0.00 0.00 28.75 30.69 1sph h GLU 70 CO 0.52 0.00 -0.78 -0.91 0.07 0.00 0.00 179.01 177.91 1sph h ASN 71 N 0.00 0.72 -0.34 3.06 -0.26 -1.89 -2.33 115.58 114.55 1sph h ASN 71 Ca 0.00 -0.73 -0.14 0.00 -0.56 0.00 0.00 56.30 54.87 1sph h ASN 71 Cb 0.51 -0.22 -0.01 0.00 -1.06 0.00 0.00 38.32 37.54 1sph h ASN 71 CO 0.00 1.35 -0.30 0.44 -1.06 0.00 0.00 177.43 177.86 1sph h ASP 72 N 0.16 0.90 -0.16 5.81 3.32 -1.94 -2.54 116.42 121.97 1sph h ASP 72 Ca -0.09 -0.37 0.03 0.00 0.02 0.00 0.00 57.03 56.62 1sph h ASP 72 Cb 1.45 -0.25 -0.03 0.00 0.22 0.00 0.00 39.33 40.73 1sph h ASP 72 CO 0.15 1.13 -0.00 0.00 -1.72 0.00 0.00 179.24 178.80 1sph h ALA 73 N 0.92 0.14 -0.61 3.45 0.00 -1.28 -2.15 119.26 119.73 1sph h ALA 73 Ca 0.08 0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 1sph h ALA 73 Cb 0.86 0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.70 1sph h ALA 73 CO 0.08 -0.45 0.36 -0.07 0.00 0.00 0.00 179.25 179.17 1sph h LEU 74 N 0.05 0.73 -0.69 0.00 3.38 -1.41 -0.63 115.31 116.75 1sph h LEU 74 Ca 0.08 -0.06 -0.12 0.00 0.09 0.00 0.00 57.88 57.87 1sph h LEU 74 Cb 0.09 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 1sph h LEU 74 CO -0.13 0.58 -0.23 0.78 0.09 0.00 0.00 178.44 179.53 1sph h ASN 75 N 0.82 0.79 -0.32 -0.43 -0.26 -1.31 -0.99 115.58 113.88 1sph h ASN 75 Ca 0.22 -0.29 -0.04 0.00 -0.56 0.00 0.00 56.30 55.63 1sph h ASN 75 Cb -0.02 -0.22 -0.01 0.00 -1.06 0.00 0.00 38.32 37.01 1sph h ASN 75 CO -0.04 0.99 0.05 0.00 -1.06 0.00 0.00 177.43 177.37 1sph h ALA 76 N 1.07 0.43 -0.37 -0.83 0.00 -1.28 -1.78 119.26 116.49 1sph h ALA 76 Ca 0.09 -0.20 -0.13 0.00 0.00 0.00 0.00 54.91 54.67 1sph h ALA 76 Cb 0.74 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 1sph h ALA 76 CO 0.06 0.13 -0.29 -0.07 0.00 0.00 0.00 179.25 179.07 1sph h LEU 77 N 0.36 0.81 -0.88 0.00 3.38 -0.64 -2.60 115.31 115.74 1sph h LEU 77 Ca 0.10 -0.33 0.01 0.00 0.09 0.00 0.00 57.88 57.75 1sph h LEU 77 Cb 0.36 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 40.84 1sph h LEU 77 CO 0.01 1.05 0.59 -0.08 0.09 0.00 0.00 178.44 180.10 1sph h GLU 78 N 0.67 1.16 -0.42 1.13 4.81 -1.14 0.31 114.58 121.09 1sph h GLU 78 Ca 0.08 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.24 1sph h GLU 78 Cb 0.83 -0.26 -0.02 0.00 0.63 0.00 0.00 28.75 29.93 1sph h GLU 78 CO 0.07 0.77 0.26 1.49 -0.73 0.00 0.00 179.01 180.87 1sph h GLU 79 N 1.20 0.57 -0.07 1.92 4.57 -1.18 0.66 114.58 122.24 1sph h GLU 79 Ca 0.32 -0.04 -0.00 0.00 -1.18 0.00 0.00 59.36 58.46 1sph h GLU 79 Cb -0.14 -0.12 -0.00 0.00 -0.16 0.00 0.00 28.75 28.33 1sph h GLU 79 CO -0.07 0.40 0.03 1.15 -1.18 0.00 0.00 179.01 179.34 1sph h THR 80 N 0.56 1.12 -0.51 0.32 2.02 -1.12 -0.09 112.91 115.22 1sph h THR 80 Ca 0.15 -0.37 0.08 0.00 0.77 0.00 0.00 66.41 67.05 1sph h THR 80 Cb -0.03 1.23 -0.10 0.00 -1.74 0.00 0.00 68.15 67.52 1sph h THR 80 CO -0.03 0.11 -0.41 0.24 0.37 0.00 0.00 175.52 175.80 1sph h MET 81 N -0.02 -0.24 -0.05 6.66 2.86 -0.45 -0.52 114.93 123.17 1sph h MET 81 Ca 0.03 0.02 -0.08 0.00 -2.06 0.00 0.00 59.70 57.60 1sph h MET 81 Cb 0.14 0.06 0.00 0.00 0.06 0.00 0.00 31.60 31.86 1sph h MET 81 CO -0.00 -0.16 -0.29 0.87 1.06 0.00 0.00 176.91 178.39 1sph h LYS 82 N -0.25 0.28 0.00 1.72 6.56 -0.80 -0.41 116.57 123.67 1sph h LYS 82 Ca 0.17 -0.24 0.00 0.00 -1.06 0.00 0.00 60.65 59.53 1sph h LYS 82 Cb 0.57 0.05 0.00 0.00 -0.57 0.00 0.00 32.23 32.28 1sph h LYS 82 CO -0.64 0.89 0.00 0.66 -2.06 0.00 0.00 179.45 178.31 1sph h SER 83 N -0.25 0.00 -0.16 0.86 4.64 -0.67 -2.73 113.55 115.24 1sph h SER 83 Ca -0.02 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.30 1sph h SER 83 Cb 0.95 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.04 1sph h SER 83 CO 0.06 0.00 0.00 -0.62 -0.87 0.00 0.00 176.83 175.40 1sph n GLU 84 N -3.03 1.94 -3.42 4.77 -0.58 -0.23 -4.97 120.64 115.11 1sph n GLU 84 Ca 0.02 -1.40 -0.18 0.00 -0.42 0.00 0.00 57.16 55.18 1sph n GLU 84 Cb 0.37 -1.45 0.07 0.00 -0.57 0.00 0.00 31.44 29.86 1sph n GLU 84 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1sph n GLY 85 N 1.24 -0.69 0.04 0.62 0.00 -1.03 -4.94 105.19 100.44 1sph n GLY 85 Ca 0.17 0.31 -0.03 0.00 0.00 0.00 0.00 46.02 46.47 1sph n GLY 85 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1sph n LEU 86 N -3.83 0.00 0.00 0.99 4.77 -0.18 -4.15 117.00 114.60 1sph n LEU 86 Ca -0.20 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.78 1sph n LEU 86 Cb 0.65 0.20 0.00 0.00 -2.33 0.00 0.00 43.42 41.93 1sph n LEU 86 CO 0.62 0.20 0.00 0.61 -1.33 0.00 0.00 177.39 177.48 1sph n GLY 87 N 2.33 -1.22 0.00 -0.72 0.00 -1.10 0.15 105.19 104.63 1sph n GLY 87 Ca -0.13 -0.93 0.00 0.00 0.00 0.00 0.00 46.02 44.96 1sph n GLY 87 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48