#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ks0 s ASN 7 N 0.00 4.73 0.25 3.17 2.47 -1.26 -4.96 114.94 119.34 3ks0 s ASN 7 Ca 0.00 1.26 0.10 0.00 0.42 0.00 0.00 52.86 54.64 3ks0 s ASN 7 Cb 0.00 -2.50 -0.05 0.00 -1.45 0.00 0.00 41.25 37.25 3ks0 s ASN 7 CO 0.00 -2.63 -0.17 -0.75 -3.72 0.00 0.00 177.10 169.83 3ks0 s LYS 8 N 7.72 1.54 0.31 0.43 2.20 -1.26 -5.13 119.74 125.55 3ks0 s LYS 8 Ca 0.97 -1.70 -0.28 0.00 -0.36 0.00 0.00 55.97 54.60 3ks0 s LYS 8 Cb -0.21 -1.48 -0.09 0.00 -1.51 0.00 0.00 37.83 34.53 3ks0 s LYS 8 CO 0.28 0.26 1.04 -0.65 -0.36 0.00 0.00 175.35 175.91 3ks0 s GLN 9 N -3.57 4.54 0.40 4.03 -1.52 -1.26 -4.73 119.66 117.55 3ks0 s GLN 9 Ca 0.27 1.60 -0.26 0.00 -1.95 0.00 0.00 55.36 55.02 3ks0 s GLN 9 Cb -0.03 -2.98 -0.11 0.00 -0.22 0.00 0.00 33.01 29.68 3ks0 s GLN 9 CO 0.12 0.18 1.22 1.63 -0.25 0.00 0.00 175.29 178.19 3ks0 n LYS 10 N 0.82 1.85 -5.20 2.91 4.76 -1.26 -3.90 118.16 118.14 3ks0 n LYS 10 Ca 0.01 0.66 -0.32 0.00 -2.87 0.00 0.00 58.31 55.79 3ks0 n LYS 10 Cb 0.47 -2.29 -0.16 0.00 -1.84 0.00 0.00 35.03 31.21 3ks0 n LYS 10 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 3ks0 s ILE 11 N -1.18 2.26 0.47 -0.18 1.01 0.44 -4.91 121.20 119.12 3ks0 s ILE 11 Ca 0.60 -1.01 -0.13 0.00 0.00 0.00 0.00 60.65 60.11 3ks0 s ILE 11 Cb -0.54 -1.82 -0.07 0.00 0.01 0.00 0.00 42.46 40.04 3ks0 s ILE 11 CO 0.59 0.58 0.88 -0.94 0.00 0.00 0.00 174.94 176.05 3ks0 s SER 12 N -0.40 6.52 0.37 3.58 1.04 -1.26 0.69 113.70 124.24 3ks0 s SER 12 Ca 0.04 1.33 0.05 0.00 0.48 0.00 0.00 55.95 57.84 3ks0 s SER 12 Cb -0.12 -2.41 0.71 0.00 0.10 0.00 0.00 66.02 64.30 3ks0 s SER 12 CO 0.02 -0.53 1.96 -0.65 0.98 0.00 0.00 173.24 175.02 3ks0 h PRO 13 N 0.91 0.56 -0.34 4.02 0.11 -1.89 -2.47 132.00 132.90 3ks0 h PRO 13 Ca -0.47 -0.07 0.07 0.00 0.11 0.00 0.00 66.00 65.64 3ks0 h PRO 13 Cb 1.19 -0.11 -0.07 0.00 0.11 0.00 0.00 31.00 32.12 3ks0 h PRO 13 CO 0.63 0.47 -0.17 0.00 -0.21 0.00 0.00 178.00 178.72 3ks0 h ALA 14 N 1.61 0.09 -0.13 -0.75 0.00 -1.95 -1.74 119.26 116.38 3ks0 h ALA 14 Ca 0.14 0.12 -0.12 0.00 0.00 0.00 0.00 54.91 55.05 3ks0 h ALA 14 Cb 0.13 0.40 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 3ks0 h ALA 14 CO -0.01 -0.55 -0.45 1.49 0.00 0.00 0.00 179.25 179.73 3ks0 h GLU 15 N -0.12 0.31 -0.18 0.00 4.57 -1.84 -3.19 114.58 114.13 3ks0 h GLU 15 Ca 0.17 -0.16 -0.04 0.00 -1.18 0.00 0.00 59.36 58.15 3ks0 h GLU 15 Cb 0.38 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.97 3ks0 h GLU 15 CO -0.41 0.70 -0.05 0.28 -1.18 0.00 0.00 179.01 178.34 3ks0 h VAL 16 N 0.25 1.29 -0.06 0.32 2.07 -1.18 -3.03 116.25 115.91 3ks0 h VAL 16 Ca 0.02 -1.04 0.02 0.00 0.82 0.00 0.00 66.70 66.51 3ks0 h VAL 16 Cb 0.89 1.62 -0.00 0.00 -1.52 0.00 0.00 31.29 32.27 3ks0 h VAL 16 CO 0.07 0.31 0.05 0.00 0.02 0.00 0.00 177.57 178.02 3ks0 h ALA 17 N 0.71 1.86 0.00 1.67 0.00 -1.32 0.41 119.26 122.60 3ks0 h ALA 17 Ca 0.04 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 3ks0 h ALA 17 Cb 0.50 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.30 3ks0 h ALA 17 CO 0.02 -0.08 -0.06 -0.22 0.00 0.00 0.00 179.25 178.92 3ks0 h LYS 18 N 0.00 0.00 -3.50 0.00 3.64 -1.58 -3.40 116.57 111.74 3ks0 h LYS 18 Ca 0.03 0.00 -0.76 0.00 -1.27 0.00 0.00 60.65 58.64 3ks0 h LYS 18 Cb 0.12 0.00 -0.31 0.00 -0.41 0.00 0.00 32.23 31.64 3ks0 h LYS 18 CO -0.00 0.06 0.22 -1.01 -2.27 0.00 0.00 179.45 176.45 3ks0 s HIS 19 N -3.94 4.09 -0.39 1.91 3.76 0.14 -4.87 115.29 116.00 3ks0 s HIS 19 Ca -0.02 -2.76 0.11 0.00 -0.15 0.00 0.00 55.06 52.24 3ks0 s HIS 19 Cb 0.11 -3.62 0.38 0.00 1.11 0.00 0.00 32.58 30.56 3ks0 s HIS 19 CO 0.53 -0.88 1.02 0.27 -0.85 0.00 0.00 174.74 174.83 3ks0 n ASN 20 N 2.68 -0.48 -3.93 1.40 2.04 -0.01 -0.90 115.26 116.08 3ks0 n ASN 20 Ca 0.22 -3.01 -0.09 0.00 -0.44 0.00 0.00 54.58 51.26 3ks0 n ASN 20 Cb 0.39 0.44 -0.07 0.00 -2.53 0.00 0.00 39.78 38.01 3ks0 n ASN 20 CO 0.00 0.00 0.00 -0.54 -0.44 0.00 0.00 177.26 176.28 3ks0 s LYS 21 N -1.30 1.00 0.38 -3.83 -0.14 -0.92 -4.85 119.74 110.09 3ks0 s LYS 21 Ca 0.28 -1.09 0.20 0.00 -1.36 0.00 0.00 55.97 54.00 3ks0 s LYS 21 Cb 0.37 0.35 1.20 0.00 -1.68 0.00 0.00 37.83 38.08 3ks0 s LYS 21 CO -0.05 -0.34 1.66 -1.35 -0.76 0.00 0.00 175.35 174.51 3ks0 h PRO 22 N 2.66 0.24 -0.26 -1.68 0.11 -1.99 -2.41 132.00 128.67 3ks0 h PRO 22 Ca -0.33 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.77 3ks0 h PRO 22 Cb 1.21 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.27 3ks0 h PRO 22 CO 0.52 0.16 0.00 -0.40 -0.21 0.00 0.00 178.00 178.07 3ks0 n ASP 23 N -4.90 3.65 -2.84 -2.05 5.75 -1.26 -4.68 116.55 110.22 3ks0 n ASP 23 Ca 0.33 -2.86 -0.07 0.00 -0.01 0.00 0.00 54.79 52.18 3ks0 n ASP 23 Cb 1.11 -0.49 -0.00 0.00 -1.03 0.00 0.00 41.12 40.71 3ks0 n ASP 23 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 3ks0 s ASP 24 N -1.83 -1.09 -0.20 -1.12 2.15 -0.91 -5.01 116.67 108.65 3ks0 s ASP 24 Ca 0.38 -1.90 -0.02 0.00 0.43 0.00 0.00 52.55 51.44 3ks0 s ASP 24 Cb 0.30 1.61 0.01 0.00 -0.30 0.00 0.00 42.92 44.53 3ks0 s ASP 24 CO 0.09 -0.07 -0.12 0.00 -0.17 0.00 0.00 175.17 174.91 3ks0 s TRP 26 N 1.38 2.09 0.06 0.00 0.52 -0.07 -1.24 118.94 121.68 3ks0 s TRP 26 Ca 0.05 -0.40 0.01 0.00 0.02 0.00 0.00 56.10 55.78 3ks0 s TRP 26 Cb -0.14 -1.13 -0.03 0.00 -1.15 0.00 0.00 33.47 31.02 3ks0 s TRP 26 CO -0.08 0.29 -0.05 0.54 0.02 0.00 0.00 176.95 177.67 3ks0 s VAL 27 N -1.13 0.39 -0.36 4.03 0.11 0.32 0.18 120.40 123.95 3ks0 s VAL 27 Ca 0.11 -1.53 -0.03 0.00 -2.93 0.00 0.00 61.98 57.60 3ks0 s VAL 27 Cb -0.10 -1.14 0.08 0.00 -1.53 0.00 0.00 36.38 33.68 3ks0 s VAL 27 CO 0.05 -0.75 0.12 -0.69 -3.33 0.00 0.00 175.10 170.50 3ks0 s VAL 28 N -2.87 3.32 -0.21 2.04 1.01 -0.27 -1.00 120.40 122.41 3ks0 s VAL 28 Ca 0.01 -1.63 -0.05 0.00 0.00 0.00 0.00 61.98 60.31 3ks0 s VAL 28 Cb 0.00 -3.07 -0.02 0.00 0.00 0.00 0.00 36.38 33.29 3ks0 s VAL 28 CO -0.05 -0.39 -0.01 -0.63 0.00 0.00 0.00 175.10 174.02 3ks0 s ILE 29 N 1.24 3.73 0.00 2.22 1.01 -0.91 -1.42 121.20 127.08 3ks0 s ILE 29 Ca 0.02 -0.38 0.00 0.00 0.00 0.00 0.00 60.65 60.29 3ks0 s ILE 29 Cb -0.21 -2.69 0.00 0.00 0.01 0.00 0.00 42.46 39.56 3ks0 s ILE 29 CO -0.02 0.42 0.00 -3.20 0.00 0.00 0.00 174.94 172.14 3ks0 n ASN 30 N 4.54 0.00 -1.97 3.58 5.15 -1.26 -2.77 115.26 122.52 3ks0 n ASN 30 Ca -0.17 0.00 -0.23 0.00 -0.60 0.00 0.00 54.58 53.57 3ks0 n ASN 30 Cb 0.51 0.00 0.04 0.00 -0.53 0.00 0.00 39.78 39.80 3ks0 n ASN 30 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3ks0 n GLY 31 N 0.00 6.29 3.34 8.20 0.00 -1.26 -4.87 105.19 116.89 3ks0 n GLY 31 Ca 0.00 -2.56 -0.23 0.00 0.00 0.00 0.00 46.02 43.23 3ks0 n GLY 31 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3ks0 s TYR 32 N -3.60 1.88 -0.12 1.61 5.04 -1.12 -0.11 117.35 120.93 3ks0 s TYR 32 Ca 0.51 -0.45 -0.03 0.00 -2.44 0.00 0.00 57.07 54.66 3ks0 s TYR 32 Cb 0.42 -0.95 -0.03 0.00 0.35 0.00 0.00 41.96 41.75 3ks0 s TYR 32 CO 0.03 0.33 0.00 0.08 -1.34 0.00 0.00 175.55 174.66 3ks0 s VAL 33 N -1.88 4.31 -0.07 3.14 1.01 0.62 -2.13 120.40 125.39 3ks0 s VAL 33 Ca 0.15 -0.23 0.02 0.00 0.00 0.00 0.00 61.98 61.92 3ks0 s VAL 33 Cb -0.07 -2.85 0.01 0.00 0.00 0.00 0.00 36.38 33.48 3ks0 s VAL 33 CO 0.07 0.55 -0.12 -0.31 0.00 0.00 0.00 175.10 175.29 3ks0 s TYR 34 N -0.36 1.44 -0.48 5.22 2.02 -0.17 0.55 117.35 125.56 3ks0 s TYR 34 Ca 0.07 -0.54 -0.20 0.00 -0.37 0.00 0.00 57.07 56.03 3ks0 s TYR 34 Cb -0.12 -1.07 0.04 0.00 -0.40 0.00 0.00 41.96 40.41 3ks0 s TYR 34 CO 0.02 -0.29 0.67 0.34 -1.57 0.00 0.00 175.55 174.72 3ks0 s ASP 35 N 0.74 6.28 0.00 2.29 2.15 -0.79 -0.52 116.67 126.82 3ks0 s ASP 35 Ca -0.13 -0.59 0.21 0.00 0.43 0.00 0.00 52.55 52.47 3ks0 s ASP 35 Cb -0.16 -2.32 0.56 0.00 -0.30 0.00 0.00 42.92 40.70 3ks0 s ASP 35 CO 0.03 -0.89 1.47 0.18 -0.17 0.00 0.00 175.17 175.79 3ks0 n LEU 36 N 6.38 3.72 0.27 -1.34 4.32 -0.37 -4.73 117.00 125.26 3ks0 n LEU 36 Ca -0.03 -1.90 -0.16 0.00 -0.02 0.00 0.00 56.01 53.89 3ks0 n LEU 36 Cb 0.47 -0.41 -0.08 0.00 -1.62 0.00 0.00 43.42 41.77 3ks0 n LEU 36 CO 0.55 0.91 0.52 0.74 -1.22 0.00 0.00 177.39 178.89 3ks0 h THR 37 N 4.01 0.00 0.00 -5.08 2.02 -1.90 0.13 112.91 112.09 3ks0 h THR 37 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 3ks0 h THR 37 Cb 0.95 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.36 3ks0 h THR 37 CO 0.00 0.00 0.00 0.54 0.37 0.00 0.00 175.52 176.43 3ks0 n ARG 38 N -5.06 0.00 0.10 6.66 3.00 -1.26 -2.97 116.66 117.13 3ks0 n ARG 38 Ca -0.11 0.07 -0.20 0.00 -0.01 0.00 0.00 57.85 57.60 3ks0 n ARG 38 Cb 0.40 -1.51 -0.12 0.00 0.00 0.00 0.00 32.46 31.23 3ks0 n ARG 38 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.63 177.98 3ks0 h PHE 39 N 0.00 0.86 -0.30 -1.55 3.57 -1.76 -3.39 116.94 114.37 3ks0 h PHE 39 Ca 0.00 -0.56 0.03 0.00 3.53 0.00 0.00 57.97 60.97 3ks0 h PHE 39 Cb 0.44 -0.06 -0.04 0.00 2.79 0.00 0.00 35.95 39.08 3ks0 h PHE 39 CO 0.00 1.41 -0.18 1.28 -2.23 0.00 0.00 178.31 178.60 3ks0 n LEU 40 N -3.73 -0.32 0.14 0.59 4.77 0.42 0.37 117.00 119.25 3ks0 n LEU 40 Ca -0.12 0.60 0.07 0.00 -0.03 0.00 0.00 56.01 56.52 3ks0 n LEU 40 Cb 0.99 -0.10 0.35 0.00 -2.33 0.00 0.00 43.42 42.33 3ks0 n LEU 40 CO 0.57 -0.46 0.76 -0.81 -1.33 0.00 0.00 177.39 176.11 3ks0 n PRO 41 N -4.08 0.09 0.00 3.23 -0.04 -1.26 -2.26 135.00 130.68 3ks0 n PRO 41 Ca 0.01 0.55 0.00 0.00 -0.04 0.00 0.00 63.50 64.02 3ks0 n PRO 41 Cb 0.08 -2.00 0.00 0.00 -0.04 0.00 0.00 33.50 31.54 3ks0 n PRO 41 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 3ks0 n ASN 42 N -1.99 1.32 -4.59 3.54 3.02 0.16 -5.00 115.26 111.72 3ks0 n ASN 42 Ca -0.01 -1.46 -0.42 0.00 -0.03 0.00 0.00 54.58 52.67 3ks0 n ASN 42 Cb 0.23 0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 39.37 3ks0 n ASN 42 CO 0.00 0.00 0.00 -2.28 -2.62 0.00 0.00 177.26 172.36 3ks0 s HIS 43 N -0.46 1.75 -0.40 3.10 2.46 -0.96 -4.87 115.29 115.91 3ks0 s HIS 43 Ca 0.00 0.70 0.08 0.00 0.47 0.00 0.00 55.06 56.31 3ks0 s HIS 43 Cb 0.00 -4.10 0.43 0.00 -0.13 0.00 0.00 32.58 28.78 3ks0 s HIS 43 CO 0.00 -2.78 1.14 -2.30 -2.47 0.00 0.00 174.74 168.33 3ks0 n PRO 44 N 8.62 0.05 -0.16 2.88 -0.02 -1.26 0.36 135.00 145.47 3ks0 n PRO 44 Ca 0.23 0.48 0.11 0.00 -2.02 0.00 0.00 63.50 62.30 3ks0 n PRO 44 Cb 0.48 -1.84 0.27 0.00 -0.02 0.00 0.00 33.50 32.40 3ks0 n PRO 44 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3ks0 n GLY 45 N -1.33 1.22 0.00 -1.23 0.00 -1.26 -5.05 105.19 97.54 3ks0 n GLY 45 Ca -0.01 -0.62 0.00 0.00 0.00 0.00 0.00 46.02 45.40 3ks0 n GLY 45 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ks0 n GLY 46 N 1.37 -0.79 0.17 -0.02 0.00 0.16 -4.68 105.19 101.40 3ks0 n GLY 46 Ca 0.18 -1.58 -0.13 0.00 0.00 0.00 0.00 46.02 44.48 3ks0 n GLY 46 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 3ks0 h GLN 47 N 0.00 0.54 -0.50 1.61 4.20 -1.80 -3.36 115.11 115.79 3ks0 h GLN 47 Ca 0.00 -0.29 0.10 0.00 0.06 0.00 0.00 58.65 58.52 3ks0 h GLN 47 Cb 0.00 0.01 -0.10 0.00 0.30 0.00 0.00 27.48 27.69 3ks0 h GLN 47 CO 0.00 0.88 -0.30 -0.44 -0.67 0.00 0.00 178.83 178.30 3ks0 h ASP 48 N 0.22 -1.01 -1.01 1.46 5.19 -1.95 -0.20 116.42 119.11 3ks0 h ASP 48 Ca 0.03 0.20 0.26 0.00 -0.62 0.00 0.00 57.03 56.90 3ks0 h ASP 48 Cb 0.78 0.51 -0.08 0.00 0.18 0.00 0.00 39.33 40.72 3ks0 h ASP 48 CO 0.06 -0.29 0.67 0.58 -3.12 0.00 0.00 179.24 177.14 3ks0 h VAL 49 N -0.18 0.55 0.00 -1.35 2.07 -1.84 0.66 116.25 116.17 3ks0 h VAL 49 Ca 0.22 -0.11 -0.00 0.00 0.82 0.00 0.00 66.70 67.63 3ks0 h VAL 49 Cb 0.53 0.21 0.00 0.00 -1.52 0.00 0.00 31.29 30.50 3ks0 h VAL 49 CO -0.60 0.06 -0.00 0.40 0.02 0.00 0.00 177.57 177.44 3ks0 h ILE 50 N 0.32 1.15 -0.53 4.57 2.04 -1.27 -3.15 117.51 120.64 3ks0 h ILE 50 Ca 0.55 -1.86 0.08 0.00 1.00 0.00 0.00 64.86 64.63 3ks0 h ILE 50 Cb 1.53 2.17 -0.10 0.00 -0.74 0.00 0.00 36.82 39.68 3ks0 h ILE 50 CO -0.21 0.39 -0.43 0.11 0.00 0.00 0.00 178.15 178.02 3ks0 h LYS 51 N -1.00 -0.24 -0.74 2.37 1.57 -0.36 0.47 116.57 118.63 3ks0 h LYS 51 Ca -0.00 0.02 0.19 0.00 -1.87 0.00 0.00 60.65 58.98 3ks0 h LYS 51 Cb 0.64 0.06 -0.04 0.00 0.08 0.00 0.00 32.23 32.97 3ks0 h LYS 51 CO 0.00 -0.16 0.51 0.74 -0.57 0.00 0.00 179.45 179.97 3ks0 h PHE 52 N -0.25 0.22 -0.38 -1.35 -1.00 0.16 -0.54 116.94 113.79 3ks0 h PHE 52 Ca 0.17 0.01 0.00 0.00 2.81 0.00 0.00 57.97 60.95 3ks0 h PHE 52 Cb 0.57 -0.07 0.00 0.00 3.61 0.00 0.00 35.95 40.06 3ks0 h PHE 52 CO -0.68 0.07 0.00 0.09 -1.61 0.00 0.00 178.31 176.18 3ks0 n ASN 53 N -4.40 3.01 -4.69 2.17 4.13 -0.23 -5.04 115.26 110.22 3ks0 n ASN 53 Ca 0.15 -1.97 -0.41 0.00 1.68 0.00 0.00 54.58 54.03 3ks0 n ASN 53 Cb 0.69 -0.25 0.02 0.00 -1.54 0.00 0.00 39.78 38.69 3ks0 n ASN 53 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3ks0 n ALA 54 N 0.67 1.11 -1.41 5.41 0.00 0.15 -2.37 120.51 124.07 3ks0 n ALA 54 Ca 0.13 0.24 -0.10 0.00 0.00 0.00 0.00 53.44 53.71 3ks0 n ALA 54 Cb 0.45 -2.24 -0.04 0.00 0.00 0.00 0.00 19.45 17.62 3ks0 n ALA 54 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ks0 n GLY 55 N 0.88 0.98 3.48 0.00 0.00 0.13 -4.65 105.19 106.01 3ks0 n GLY 55 Ca 0.07 -0.57 -0.23 0.00 0.00 0.00 0.00 46.02 45.30 3ks0 n GLY 55 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ks0 s LYS 56 N -3.06 1.71 -0.41 1.61 1.02 -1.00 -4.39 119.74 115.22 3ks0 s LYS 56 Ca 0.00 -1.95 -0.20 0.00 0.02 0.00 0.00 55.97 53.84 3ks0 s LYS 56 Cb 0.00 -1.04 0.02 0.00 -0.52 0.00 0.00 37.83 36.28 3ks0 s LYS 56 CO 0.00 -0.15 0.62 0.34 -0.92 0.00 0.00 175.35 175.24 3ks0 s ASP 57 N -3.53 6.34 0.00 2.83 3.68 -0.32 -1.12 116.67 124.55 3ks0 s ASP 57 Ca 0.36 -0.20 0.19 0.00 2.13 0.00 0.00 52.55 55.03 3ks0 s ASP 57 Cb 0.09 -2.31 0.52 0.00 -1.45 0.00 0.00 42.92 39.77 3ks0 s ASP 57 CO 0.16 -0.69 1.43 1.33 0.13 0.00 0.00 175.17 177.53 3ks0 n VAL 58 N 5.72 0.94 -0.37 1.11 0.24 -0.50 -0.46 118.33 125.01 3ks0 n VAL 58 Ca -0.02 -0.97 0.04 0.00 -2.04 0.00 0.00 64.34 61.35 3ks0 n VAL 58 Cb 0.48 0.55 0.11 0.00 -1.47 0.00 0.00 33.84 33.51 3ks0 n VAL 58 CO 0.00 0.00 0.00 0.41 -2.14 0.00 0.00 176.83 175.10 3ks0 n THR 59 N 1.29 -0.45 0.08 3.34 -1.04 -1.22 0.53 114.28 116.81 3ks0 n THR 59 Ca 0.20 2.30 -0.03 0.00 -2.04 0.00 0.00 64.05 64.48 3ks0 n THR 59 Cb 0.56 -3.13 0.21 0.00 -1.82 0.00 0.00 70.33 66.14 3ks0 n THR 59 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3ks0 h ALA 60 N 1.79 1.07 0.00 2.41 0.00 -1.84 -1.74 119.26 120.95 3ks0 h ALA 60 Ca 0.44 -0.42 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 3ks0 h ALA 60 Cb 0.68 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.38 3ks0 h ALA 60 CO -1.01 0.60 -0.12 0.82 0.00 0.00 0.00 179.25 179.53 3ks0 h ILE 61 N 0.23 1.70 0.42 0.00 2.04 -1.38 -3.39 117.51 117.13 3ks0 h ILE 61 Ca 0.02 -2.33 -0.01 0.00 1.00 0.00 0.00 64.86 63.55 3ks0 h ILE 61 Cb 0.84 3.27 -0.02 0.00 -0.74 0.00 0.00 36.82 40.16 3ks0 h ILE 61 CO 0.07 0.58 -0.40 0.15 0.00 0.00 0.00 178.15 178.55 3ks0 h PHE 62 N -1.00 -1.08 -0.85 1.37 3.57 0.10 -3.26 116.94 115.79 3ks0 h PHE 62 Ca -0.03 0.01 0.10 0.00 3.53 0.00 0.00 57.97 61.58 3ks0 h PHE 62 Cb 1.03 0.42 -0.06 0.00 2.79 0.00 0.00 35.95 40.12 3ks0 h PHE 62 CO 0.26 -0.56 0.55 0.93 -2.23 0.00 0.00 178.31 177.27 3ks0 h GLU 63 N -0.83 0.77 0.00 1.11 5.08 -1.52 -0.53 114.58 118.65 3ks0 h GLU 63 Ca -0.04 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.28 3ks0 h GLU 63 Cb 0.73 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.81 3ks0 h GLU 63 CO -0.05 0.51 -0.04 -0.35 -1.00 0.00 0.00 179.01 178.07 3ks0 n PRO 64 N -4.53 0.17 0.00 2.33 -0.04 -1.23 -3.57 135.00 128.14 3ks0 n PRO 64 Ca 0.15 0.13 0.10 0.00 -0.04 0.00 0.00 63.50 63.85 3ks0 n PRO 64 Cb 0.34 -1.69 -0.08 0.00 -0.04 0.00 0.00 33.50 32.03 3ks0 n PRO 64 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 3ks0 n LEU 65 N -1.99 0.81 -4.09 1.53 4.77 -0.29 -4.92 117.00 112.80 3ks0 n LEU 65 Ca 0.06 -0.36 -0.24 0.00 -0.03 0.00 0.00 56.01 55.44 3ks0 n LEU 65 Cb 0.40 -0.03 -0.16 0.00 -2.33 0.00 0.00 43.42 41.30 3ks0 n LEU 65 CO 0.30 0.19 -0.48 -1.00 -1.33 0.00 0.00 177.39 175.07 3ks0 s HIS 66 N -3.08 1.47 0.70 -1.77 3.76 -0.70 -5.11 115.29 110.56 3ks0 s HIS 66 Ca 0.06 -0.40 -0.15 0.00 -0.15 0.00 0.00 55.06 54.42 3ks0 s HIS 66 Cb 0.16 -1.00 0.03 0.00 1.11 0.00 0.00 32.58 32.87 3ks0 s HIS 66 CO 0.85 -0.14 1.16 0.00 -0.85 0.00 0.00 174.74 175.77 3ks0 s ALA 67 N 0.07 2.25 -1.72 -1.40 0.00 -1.26 -4.73 121.76 114.96 3ks0 s ALA 67 Ca -0.03 0.72 0.09 0.00 0.00 0.00 0.00 51.96 52.74 3ks0 s ALA 67 Cb -0.10 -3.40 0.49 0.00 0.00 0.00 0.00 23.12 20.11 3ks0 s ALA 67 CO 0.01 -1.63 1.07 -2.30 0.00 0.00 0.00 175.76 172.91 3ks0 n PRO 68 N -2.63 0.21 -0.57 0.00 -0.02 -1.26 -3.18 135.00 127.54 3ks0 n PRO 68 Ca 0.12 0.10 0.03 0.00 -2.02 0.00 0.00 63.50 61.73 3ks0 n PRO 68 Cb 0.51 -1.50 0.22 0.00 -0.02 0.00 0.00 33.50 32.71 3ks0 n PRO 68 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 3ks0 n ASN 69 N -1.14 3.16 -0.05 2.55 6.94 -1.26 -4.51 115.26 120.96 3ks0 n ASN 69 Ca 0.06 -3.35 -0.11 0.00 -0.02 0.00 0.00 54.58 51.16 3ks0 n ASN 69 Cb 0.05 -0.58 -0.14 0.00 -2.36 0.00 0.00 39.78 36.75 3ks0 n ASN 69 CO 0.00 0.00 0.00 1.33 -1.03 0.00 0.00 177.26 177.56 3ks0 n VAL 70 N -0.85 1.56 -0.04 3.53 0.24 -1.19 -4.00 118.33 117.58 3ks0 n VAL 70 Ca 0.26 -0.79 -0.08 0.00 -2.04 0.00 0.00 64.34 61.69 3ks0 n VAL 70 Cb 0.94 -0.96 -0.02 0.00 -1.47 0.00 0.00 33.84 32.33 3ks0 n VAL 70 CO 0.00 0.00 0.00 0.40 -2.14 0.00 0.00 176.83 175.09 3ks0 h ILE 71 N 0.01 0.65 0.00 1.34 2.04 -1.83 -1.56 117.51 118.16 3ks0 h ILE 71 Ca -0.38 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.48 3ks0 h ILE 71 Cb 2.08 0.65 0.00 0.00 -0.74 0.00 0.00 36.82 38.80 3ks0 h ILE 71 CO 0.06 0.00 0.00 0.47 0.00 0.00 0.00 178.15 178.68 3ks0 n ASP 72 N -5.27 0.24 0.08 1.72 8.00 -1.26 -0.23 116.55 119.82 3ks0 n ASP 72 Ca -0.02 0.55 -0.23 0.00 0.71 0.00 0.00 54.79 55.81 3ks0 n ASP 72 Cb 0.19 -0.60 -0.15 0.00 -0.02 0.00 0.00 41.12 40.54 3ks0 n ASP 72 CO 0.00 0.00 0.00 0.50 -0.39 0.00 0.00 177.20 177.31 3ks0 h LYS 73 N 0.00 0.40 0.04 -1.24 3.64 -1.43 -3.41 116.57 114.58 3ks0 h LYS 73 Ca 0.00 -0.69 -0.36 0.00 -1.27 0.00 0.00 60.65 58.33 3ks0 h LYS 73 Cb 0.36 0.26 -0.05 0.00 -0.41 0.00 0.00 32.23 32.39 3ks0 h LYS 73 CO 0.00 1.33 -2.14 0.66 -2.27 0.00 0.00 179.45 177.03 3ks0 n TYR 74 N -3.83 0.64 -3.74 1.91 4.02 -0.91 -4.97 117.16 110.29 3ks0 n TYR 74 Ca -0.19 0.16 -0.35 0.00 -0.01 0.00 0.00 57.90 57.51 3ks0 n TYR 74 Cb 0.99 -1.09 -0.08 0.00 -0.02 0.00 0.00 39.34 39.14 3ks0 n TYR 74 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 176.86 176.27 3ks0 s ILE 75 N -2.54 5.36 0.45 -0.72 1.01 0.68 -5.05 121.20 120.39 3ks0 s ILE 75 Ca -0.20 0.17 -0.24 0.00 0.00 0.00 0.00 60.65 60.38 3ks0 s ILE 75 Cb 0.07 -3.45 -0.07 0.00 0.01 0.00 0.00 42.46 39.02 3ks0 s ILE 75 CO 0.74 0.43 1.30 0.00 0.00 0.00 0.00 174.94 177.41 3ks0 s ALA 76 N 0.45 3.10 0.26 9.38 0.00 -1.26 -4.64 121.76 129.05 3ks0 s ALA 76 Ca 0.08 1.22 0.24 0.00 0.00 0.00 0.00 51.96 53.50 3ks0 s ALA 76 Cb -0.11 -3.50 1.10 0.00 0.00 0.00 0.00 23.12 20.61 3ks0 s ALA 76 CO -0.01 -0.96 1.91 -1.35 0.00 0.00 0.00 175.76 175.35 3ks0 h PRO 77 N 2.23 0.00 -0.20 0.00 0.11 -1.96 -2.05 132.00 130.14 3ks0 h PRO 77 Ca -0.50 0.00 0.06 0.00 0.11 0.00 0.00 66.00 65.67 3ks0 h PRO 77 Cb 1.26 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.36 3ks0 h PRO 77 CO 0.61 0.21 0.15 0.93 -0.21 0.00 0.00 178.00 179.69 3ks0 h GLU 78 N 0.00 0.00 0.00 1.05 3.07 -2.02 -1.27 114.58 115.41 3ks0 h GLU 78 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 3ks0 h GLU 78 Cb 0.60 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.51 3ks0 h GLU 78 CO 0.03 0.00 -0.47 0.87 -1.40 0.00 0.00 179.01 178.04 3ks0 h LYS 79 N 0.00 0.00 -6.11 2.33 1.79 -1.70 -3.40 116.57 109.48 3ks0 h LYS 79 Ca 0.09 0.00 -0.51 0.00 -2.18 0.00 0.00 60.65 58.05 3ks0 h LYS 79 Cb 0.40 0.00 -0.05 0.00 -1.58 0.00 0.00 32.23 31.00 3ks0 h LYS 79 CO -0.00 0.00 1.25 0.15 -1.08 0.00 0.00 179.45 179.77 3ks0 s LYS 80 N -3.17 2.82 0.22 3.15 1.02 -0.48 -1.88 119.74 121.41 3ks0 s LYS 80 Ca 0.07 0.31 0.01 0.00 0.02 0.00 0.00 55.97 56.37 3ks0 s LYS 80 Cb 0.12 -4.32 0.19 0.00 -0.52 0.00 0.00 37.83 33.30 3ks0 s LYS 80 CO 0.69 -2.54 1.53 -0.07 -0.92 0.00 0.00 175.35 174.05 3ks0 h LEU 81 N 15.27 0.41 0.00 3.17 4.07 -0.12 -3.49 115.31 134.62 3ks0 h LEU 81 Ca -0.26 -0.23 0.00 0.00 0.08 0.00 0.00 57.88 57.47 3ks0 h LEU 81 Cb 1.12 -0.12 0.00 0.00 1.08 0.00 0.00 40.66 42.74 3ks0 h LEU 81 CO 1.24 0.91 0.00 0.61 -1.08 0.00 0.00 178.44 180.12 3ks0 n GLY 82 N 0.27 0.88 3.83 0.83 0.00 -1.24 -4.81 105.19 104.96 3ks0 n GLY 82 Ca -0.03 -1.81 -0.35 0.00 0.00 0.00 0.00 46.02 43.83 3ks0 n GLY 82 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3ks0 s PRO 83 N -1.27 4.08 0.37 1.61 0.05 -1.25 -0.28 135.00 138.31 3ks0 s PRO 83 Ca 0.00 0.65 -0.27 0.00 0.05 0.00 0.00 61.00 61.43 3ks0 s PRO 83 Cb 0.00 -2.85 -0.09 0.00 0.05 0.00 0.00 34.50 31.61 3ks0 s PRO 83 CO 0.00 0.41 1.27 -1.17 0.05 0.00 0.00 177.00 177.56 3ks0 s LEU 84 N -2.10 4.30 -0.65 -3.56 2.96 0.84 -0.42 118.68 120.06 3ks0 s LEU 84 Ca 0.42 2.59 -0.24 0.00 -0.22 0.00 0.00 54.13 56.68 3ks0 s LEU 84 Cb -0.15 -3.83 0.06 0.00 0.50 0.00 0.00 46.19 42.77 3ks0 s LEU 84 CO 0.20 -0.68 1.03 -1.58 -1.32 0.00 0.00 176.35 174.00 3ks0 s GLN 85 N -2.06 3.18 7.83 1.98 2.00 0.22 -4.74 119.66 128.07 3ks0 s GLN 85 Ca 0.54 -0.57 0.00 0.00 -2.00 0.00 0.00 55.36 53.32 3ks0 s GLN 85 Cb -0.37 -4.18 0.00 0.00 0.80 0.00 0.00 33.01 29.26 3ks0 s GLN 85 CO 0.48 -1.81 0.00 0.41 -0.50 0.00 0.00 175.29 173.87 3ks0 n GLY 86 N 5.29 2.93 3.29 2.59 0.00 -1.26 -4.41 105.19 113.62 3ks0 n GLY 86 Ca -0.01 -0.24 -0.13 0.00 0.00 0.00 0.00 46.02 45.63 3ks0 n GLY 86 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3ks0 s SER 87 N -4.00 -0.25 0.40 1.61 1.04 -1.26 -5.04 113.70 106.20 3ks0 s SER 87 Ca 0.00 0.10 -0.26 0.00 0.48 0.00 0.00 55.95 56.27 3ks0 s SER 87 Cb 0.00 0.37 -0.09 0.00 0.10 0.00 0.00 66.02 66.40 3ks0 s SER 87 CO 0.00 -0.54 1.26 -0.04 0.98 0.00 0.00 173.24 174.90 3ks0 s MET 88 N -1.73 3.99 0.55 4.02 -1.94 -1.26 -4.85 119.30 118.08 3ks0 s MET 88 Ca -0.10 2.05 -0.21 0.00 -1.71 0.00 0.00 55.69 55.72 3ks0 s MET 88 Cb -0.03 -2.73 -0.05 0.00 2.01 0.00 0.00 34.83 34.04 3ks0 s MET 88 CO 0.02 -0.44 1.26 -2.14 -0.01 0.00 0.00 175.02 173.71 3ks0 s PRO 89 N -2.26 3.19 0.26 2.03 0.02 -1.26 -4.73 135.00 132.25 3ks0 s PRO 89 Ca 0.57 1.98 -0.11 0.00 0.02 0.00 0.00 61.00 63.46 3ks0 s PRO 89 Cb -0.36 -2.15 0.39 0.00 0.02 0.00 0.00 34.50 32.41 3ks0 s PRO 89 CO 0.45 -1.07 1.56 -1.35 -0.33 0.00 0.00 177.00 176.26 3ks0 h PRO 90 N 1.34 -0.00 -0.74 5.54 0.11 -1.95 0.28 132.00 136.58 3ks0 h PRO 90 Ca -0.50 0.00 0.20 0.00 0.11 0.00 0.00 66.00 65.81 3ks0 h PRO 90 Cb 1.29 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.36 3ks0 h PRO 90 CO 0.57 -0.00 0.53 0.93 -0.21 0.00 0.00 178.00 179.81 3ks0 h GLU 91 N -0.00 0.08 -0.51 1.05 3.07 -2.04 -1.18 114.58 115.04 3ks0 h GLU 91 Ca 0.44 -0.00 -0.15 0.00 -0.50 0.00 0.00 59.36 59.15 3ks0 h GLU 91 Cb 0.69 -0.02 -0.09 0.00 -0.84 0.00 0.00 28.75 28.49 3ks0 h GLU 91 CO -1.02 0.05 0.12 1.28 -1.40 0.00 0.00 179.01 178.04 3ks0 n LEU 92 N -4.35 4.98 -4.31 1.33 4.77 0.97 -4.86 117.00 115.53 3ks0 n LEU 92 Ca 0.15 -3.30 -0.36 0.00 -0.03 0.00 0.00 56.01 52.47 3ks0 n LEU 92 Cb 0.76 -0.66 -0.13 0.00 -2.33 0.00 0.00 43.42 41.05 3ks0 n LEU 92 CO 0.37 0.87 -0.34 0.68 -1.33 0.00 0.00 177.39 177.64 3ks0 s VAL 93 N -3.01 3.56 0.13 4.08 -7.23 -0.45 -1.17 120.40 116.31 3ks0 s VAL 93 Ca 0.49 -0.64 -0.31 0.00 -1.81 0.00 0.00 61.98 59.70 3ks0 s VAL 93 Cb 0.40 -2.74 -0.09 0.00 0.56 0.00 0.00 36.38 34.51 3ks0 s VAL 93 CO 0.09 0.25 1.51 0.00 -0.31 0.00 0.00 175.10 176.64 3ks0 s PRO 95 N 1.31 3.09 0.47 0.00 0.04 -1.26 -4.09 135.00 134.56 3ks0 s PRO 95 Ca 0.68 -1.00 -0.23 0.00 0.04 0.00 0.00 61.00 60.49 3ks0 s PRO 95 Cb -0.41 -2.71 -0.07 0.00 0.04 0.00 0.00 34.50 31.35 3ks0 s PRO 95 CO 0.31 0.26 1.26 -2.14 0.04 0.00 0.00 177.00 176.72 3ks0 s PRO 96 N -4.00 3.64 0.00 0.56 0.02 -1.26 -4.74 135.00 129.21 3ks0 s PRO 96 Ca 0.38 2.02 0.32 0.00 0.02 0.00 0.00 61.00 63.74 3ks0 s PRO 96 Cb -0.08 -2.46 1.89 0.00 0.02 0.00 0.00 34.50 33.87 3ks0 s PRO 96 CO 0.28 -0.72 2.22 0.98 -0.33 0.00 0.00 177.00 179.43