#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1kb2 s ILE 23 N 0.00 5.13 0.06 0.55 -4.36 -1.26 0.11 121.20 121.43 1kb2 s ILE 23 Ca 0.00 -0.26 -0.31 0.00 -0.26 0.00 0.00 60.65 59.83 1kb2 s ILE 23 Cb 0.00 -3.37 -0.07 0.00 1.25 0.00 0.00 42.46 40.27 1kb2 s ILE 23 CO 0.00 0.35 1.44 0.00 0.24 0.00 0.00 174.94 176.96 1kb2 n GLY 25 N 3.63 -0.78 0.48 0.00 0.00 -0.89 -1.33 105.19 106.31 1kb2 n GLY 25 Ca 0.13 -0.14 -0.16 0.00 0.00 0.00 0.00 46.02 45.84 1kb2 n GLY 25 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1kb2 n VAL 26 N -0.96 0.97 0.38 1.61 0.31 -1.26 -4.82 118.33 114.56 1kb2 n VAL 26 Ca 0.17 -0.18 0.04 0.00 -0.01 0.00 0.00 64.34 64.37 1kb2 n VAL 26 Cb 0.08 -1.77 -0.01 0.00 -0.91 0.00 0.00 33.84 31.24 1kb2 n VAL 26 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1kb2 n GLY 28 N 0.89 3.15 3.39 0.00 0.00 -0.44 -0.21 105.19 111.97 1kb2 n GLY 28 Ca 0.03 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.75 1kb2 n GLY 28 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1kb2 n ASP 29 N 0.12 -1.95 -4.62 1.61 4.64 -1.26 -3.91 116.55 111.18 1kb2 n ASP 29 Ca 0.00 -0.10 -0.43 0.00 -1.38 0.00 0.00 54.79 52.88 1kb2 n ASP 29 Cb 0.00 -1.14 -0.03 0.00 -1.04 0.00 0.00 41.12 38.91 1kb2 n ASP 29 CO 0.00 0.00 0.00 -0.60 -0.82 0.00 0.00 177.20 175.78 1kb2 s ARG 30 N -3.97 3.55 0.91 -0.67 3.52 -1.26 0.13 118.95 121.15 1kb2 s ARG 30 Ca 0.63 1.93 -0.11 0.00 -0.13 0.00 0.00 55.73 58.04 1kb2 s ARG 30 Cb -0.20 -4.21 0.14 0.00 -1.56 0.00 0.00 34.95 29.12 1kb2 s ARG 30 CO 0.65 -1.61 1.09 0.00 -0.81 0.00 0.00 175.30 174.62 1kb2 s ALA 31 N 6.45 1.43 0.00 6.12 0.00 0.31 -4.42 121.76 131.64 1kb2 s ALA 31 Ca 0.86 0.10 0.00 0.00 0.00 0.00 0.00 51.96 52.93 1kb2 s ALA 31 Cb -0.31 -3.26 0.00 0.00 0.00 0.00 0.00 23.12 19.56 1kb2 s ALA 31 CO 0.34 -2.49 0.65 0.25 0.00 0.00 0.00 175.76 174.52 1kb2 n THR 32 N -4.00 0.41 0.00 0.00 -2.24 -0.68 -4.19 114.28 103.58 1kb2 n THR 32 Ca 0.08 -0.48 0.00 0.00 -2.27 0.00 0.00 64.05 61.38 1kb2 n THR 32 Cb 0.54 0.90 0.00 0.00 -2.10 0.00 0.00 70.33 69.67 1kb2 n THR 32 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1kb2 n GLY 33 N -0.21 0.80 3.87 3.38 0.00 -1.26 -5.03 105.19 106.74 1kb2 n GLY 33 Ca 0.00 -2.02 -0.31 0.00 0.00 0.00 0.00 46.02 43.69 1kb2 n GLY 33 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1kb2 s PHE 34 N -1.70 3.43 -0.17 1.61 0.08 -1.26 -2.72 117.98 117.24 1kb2 s PHE 34 Ca 0.00 0.99 -0.06 0.00 0.12 0.00 0.00 56.93 57.97 1kb2 s PHE 34 Cb 0.00 -2.37 0.08 0.00 -0.57 0.00 0.00 43.02 40.16 1kb2 s PHE 34 CO 0.00 0.08 0.36 -1.01 -0.10 0.00 0.00 175.22 174.56 1kb2 s HIS 35 N -2.08 -0.64 -1.74 0.36 3.76 -0.44 -4.83 115.29 109.68 1kb2 s HIS 35 Ca 0.50 1.30 0.00 0.00 -0.15 0.00 0.00 55.06 56.71 1kb2 s HIS 35 Cb -0.11 0.18 0.00 0.00 1.11 0.00 0.00 32.58 33.77 1kb2 s HIS 35 CO 0.25 -0.42 0.00 1.19 -0.85 0.00 0.00 174.74 174.91 1kb2 n PHE 36 N 5.22 -0.65 -1.19 1.40 3.72 -1.26 -2.47 117.46 122.23 1kb2 n PHE 36 Ca -0.10 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.30 1kb2 n PHE 36 Cb 0.50 -3.38 0.00 0.00 -0.94 0.00 0.00 39.48 35.66 1kb2 n PHE 36 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 176.76 175.00 1kb2 n ASN 37 N -1.52 -1.60 -3.68 4.37 5.15 -1.26 -0.25 115.26 116.47 1kb2 n ASN 37 Ca -0.20 0.00 -0.14 0.00 -0.60 0.00 0.00 54.58 53.64 1kb2 n ASN 37 Cb 0.63 -0.40 -0.08 0.00 -0.53 0.00 0.00 39.78 39.40 1kb2 n ASN 37 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1kb2 s ALA 38 N -2.00 -1.27 -0.08 5.20 0.00 -1.03 -4.59 121.76 118.00 1kb2 s ALA 38 Ca 0.00 1.19 -0.29 0.00 0.00 0.00 0.00 51.96 52.86 1kb2 s ALA 38 Cb 0.00 -0.50 -0.06 0.00 0.00 0.00 0.00 23.12 22.57 1kb2 s ALA 38 CO 0.00 -0.27 1.75 1.41 0.00 0.00 0.00 175.76 178.65 1kb2 s MET 39 N -0.34 4.02 0.25 0.00 1.75 -1.26 -1.33 119.30 122.39 1kb2 s MET 39 Ca -0.05 2.16 -0.08 0.00 -1.25 0.00 0.00 55.69 56.47 1kb2 s MET 39 Cb -0.03 -4.06 -0.01 0.00 2.84 0.00 0.00 34.83 33.56 1kb2 s MET 39 CO 0.03 -1.05 0.37 0.95 -0.65 0.00 0.00 175.02 174.68 1kb2 s THR 40 N 4.67 0.00 0.74 10.11 -4.23 -1.10 -2.09 115.64 123.73 1kb2 s THR 40 Ca 0.78 -1.62 -0.04 0.00 -1.18 0.00 0.00 61.69 59.64 1kb2 s THR 40 Cb -0.33 -2.36 0.15 0.00 1.34 0.00 0.00 72.50 71.30 1kb2 s THR 40 CO 0.32 0.00 1.01 0.00 -0.54 0.00 0.00 174.62 175.41 1kb2 h GLU 42 N 0.00 0.00 -0.07 0.00 4.39 -1.94 -2.62 114.58 114.34 1kb2 h GLU 42 Ca -0.33 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.35 1kb2 h GLU 42 Cb 1.14 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.78 1kb2 h GLU 42 CO 0.32 0.46 -0.04 0.78 -1.16 0.00 0.00 179.01 179.38 1kb2 h GLY 43 N 2.56 0.16 2.00 -3.84 0.00 -1.96 -2.77 103.07 99.22 1kb2 h GLY 43 Ca -0.00 -0.15 -0.04 0.00 0.00 0.00 0.00 47.33 47.13 1kb2 h GLY 43 CO 0.06 0.13 -0.20 0.00 0.00 0.00 0.00 176.54 176.53 1kb2 h LYS 45 N 0.00 -0.78 -0.61 0.00 3.64 -1.44 -2.31 116.57 115.07 1kb2 h LYS 45 Ca -0.00 0.05 -0.08 0.00 -1.27 0.00 0.00 60.65 59.35 1kb2 h LYS 45 Cb 0.75 0.18 -0.02 0.00 -0.41 0.00 0.00 32.23 32.73 1kb2 h LYS 45 CO 0.03 -0.48 0.05 0.78 -2.27 0.00 0.00 179.45 177.55 1kb2 h GLY 46 N -0.95 1.12 1.18 5.01 0.00 -1.17 -2.30 103.07 105.95 1kb2 h GLY 46 Ca -0.08 -0.77 0.04 0.00 0.00 0.00 0.00 47.33 46.51 1kb2 h GLY 46 CO 0.14 0.71 0.46 -2.75 0.00 0.00 0.00 176.54 175.10 1kb2 h PHE 47 N 0.96 0.81 -0.09 5.60 3.57 -0.36 -0.87 116.94 126.57 1kb2 h PHE 47 Ca 0.18 0.02 -0.17 0.00 3.53 0.00 0.00 57.97 61.53 1kb2 h PHE 47 Cb 0.49 -0.27 -0.01 0.00 2.79 0.00 0.00 35.95 38.95 1kb2 h PHE 47 CO 0.03 0.47 -0.68 0.35 -2.23 0.00 0.00 178.31 176.25 1kb2 h PHE 48 N 0.83 0.50 -0.00 0.41 3.57 -1.11 -0.64 116.94 120.50 1kb2 h PHE 48 Ca 0.28 -0.21 -0.06 0.00 3.53 0.00 0.00 57.97 61.51 1kb2 h PHE 48 Cb 0.09 -0.08 0.01 0.00 2.79 0.00 0.00 35.95 38.75 1kb2 h PHE 48 CO -0.00 0.95 -0.25 -0.09 -2.23 0.00 0.00 178.31 176.69 1kb2 h ARG 49 N 0.27 0.17 0.10 1.11 2.43 -0.83 -2.87 114.38 114.76 1kb2 h ARG 49 Ca -0.02 -0.18 0.00 0.00 -0.81 0.00 0.00 59.98 58.97 1kb2 h ARG 49 Cb 1.24 0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 30.84 1kb2 h ARG 49 CO 0.12 0.92 -0.08 0.00 -1.51 0.00 0.00 179.97 179.42 1kb2 h ARG 50 N -0.51 -0.17 -0.80 0.20 3.08 -1.24 -1.30 114.38 113.64 1kb2 h ARG 50 Ca -0.03 0.01 0.10 0.00 0.07 0.00 0.00 59.98 60.13 1kb2 h ARG 50 Cb 1.01 0.04 -0.08 0.00 0.08 0.00 0.00 29.97 31.03 1kb2 h ARG 50 CO 0.05 -0.12 0.44 0.77 -1.07 0.00 0.00 179.97 180.04 1kb2 h SER 51 N -0.18 0.60 0.26 7.04 0.02 -1.19 0.92 113.55 121.02 1kb2 h SER 51 Ca -0.00 0.06 -0.01 0.00 -0.84 0.00 0.00 61.79 60.99 1kb2 h SER 51 Cb 0.16 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 62.65 1kb2 h SER 51 CO -0.01 0.33 -0.12 0.24 -1.14 0.00 0.00 176.83 176.13 1kb2 h MET 52 N 0.72 -0.33 -0.33 3.45 2.86 -1.31 -1.82 114.93 118.18 1kb2 h MET 52 Ca 0.40 0.02 0.07 0.00 -2.06 0.00 0.00 59.70 58.13 1kb2 h MET 52 Cb 0.41 0.08 -0.08 0.00 0.06 0.00 0.00 31.60 32.06 1kb2 h MET 52 CO -0.27 0.03 -0.36 0.87 1.06 0.00 0.00 176.91 178.23 1kb2 h LYS 53 N -0.86 -0.31 0.00 1.72 1.57 -0.93 0.41 116.57 118.17 1kb2 h LYS 53 Ca -0.04 0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1kb2 h LYS 53 Cb 0.51 0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.89 1kb2 h LYS 53 CO 0.06 -0.21 0.00 -2.13 -0.57 0.00 0.00 179.45 176.60 1kb2 n ARG 54 N -5.42 0.15 -1.72 3.15 0.63 0.29 -4.81 116.66 108.94 1kb2 n ARG 54 Ca -0.01 0.11 -0.12 0.00 -0.92 0.00 0.00 57.85 56.91 1kb2 n ARG 54 Cb 0.34 -1.50 -0.04 0.00 0.45 0.00 0.00 32.46 31.72 1kb2 n ARG 54 CO 0.00 0.00 0.00 1.63 -2.51 0.00 0.00 177.63 176.75 1kb2 n LYS 55 N -1.14 -1.59 -1.55 -0.14 5.02 0.14 -4.88 118.16 114.03 1kb2 n LYS 55 Ca 0.04 0.69 -0.39 0.00 -2.02 0.00 0.00 58.31 56.63 1kb2 n LYS 55 Cb 0.04 -5.05 0.03 0.00 -0.02 0.00 0.00 35.03 30.03 1kb2 n LYS 55 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1kb2 n ALA 56 N -0.45 -0.39 -4.08 7.82 0.00 -0.73 -4.98 120.51 117.69 1kb2 n ALA 56 Ca -0.13 0.07 -0.32 0.00 0.00 0.00 0.00 53.44 53.05 1kb2 n ALA 56 Cb 0.48 -1.98 -0.16 0.00 0.00 0.00 0.00 19.45 17.78 1kb2 n ALA 56 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1kb2 s LEU 57 N -0.44 2.20 0.19 0.00 1.43 -1.26 -4.92 118.68 115.87 1kb2 s LEU 57 Ca 0.69 -0.72 0.08 0.00 -1.03 0.00 0.00 54.13 53.15 1kb2 s LEU 57 Cb -0.48 -1.41 -0.04 0.00 0.03 0.00 0.00 46.19 44.29 1kb2 s LEU 57 CO 0.53 -0.04 -0.02 -0.36 0.23 0.00 0.00 176.35 176.68 1kb2 s PHE 58 N 1.32 2.78 -0.10 0.29 0.08 -1.26 -5.07 117.98 116.02 1kb2 s PHE 58 Ca 0.03 -0.17 -0.01 0.00 0.12 0.00 0.00 56.93 56.90 1kb2 s PHE 58 Cb -0.14 -1.34 0.03 0.00 -0.57 0.00 0.00 43.02 41.00 1kb2 s PHE 58 CO -0.11 0.53 -0.04 0.99 -0.10 0.00 0.00 175.22 176.49 1kb2 s THR 59 N -1.79 0.73 0.21 0.64 2.01 -1.26 -4.73 115.64 111.44 1kb2 s THR 59 Ca 0.27 -0.13 -0.31 0.00 0.31 0.00 0.00 61.69 61.83 1kb2 s THR 59 Cb -0.09 -0.83 -0.11 0.00 0.01 0.00 0.00 72.50 71.48 1kb2 s THR 59 CO 0.18 0.30 1.63 0.00 -0.69 0.00 0.00 174.62 176.04 1kb2 n PRO 61 N 3.57 0.29 0.00 0.00 -0.02 -1.26 -4.77 135.00 132.81 1kb2 n PRO 61 Ca 0.13 -0.04 0.00 0.00 -2.02 0.00 0.00 63.50 61.57 1kb2 n PRO 61 Cb 0.37 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 32.35 1kb2 n PRO 61 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 1kb2 n PHE 62 N -1.32 0.00 0.24 6.00 3.72 -1.26 -5.04 117.46 119.80 1kb2 n PHE 62 Ca 0.11 0.00 0.03 0.00 -0.05 0.00 0.00 57.45 57.54 1kb2 n PHE 62 Cb 0.29 0.00 0.02 0.00 -0.94 0.00 0.00 39.48 38.85 1kb2 n PHE 62 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 1kb2 n ASN 63 N 0.00 1.43 0.00 4.37 3.02 -1.26 -5.01 115.26 117.81 1kb2 n ASN 63 Ca 0.00 -1.21 0.00 0.00 -0.03 0.00 0.00 54.58 53.34 1kb2 n ASN 63 Cb 0.00 0.04 0.00 0.00 -0.61 0.00 0.00 39.78 39.21 1kb2 n ASN 63 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1kb2 n GLY 64 N 0.35 0.72 2.71 7.41 0.00 -1.26 -4.90 105.19 110.21 1kb2 n GLY 64 Ca 0.03 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.99 1kb2 n GLY 64 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1kb2 n ASP 65 N 0.00 1.89 -4.74 1.61 5.68 -1.26 -4.97 116.55 114.77 1kb2 n ASP 65 Ca 0.00 -2.44 -0.42 0.00 -0.50 0.00 0.00 54.79 51.43 1kb2 n ASP 65 Cb 0.00 -0.49 -0.01 0.00 -1.14 0.00 0.00 41.12 39.49 1kb2 n ASP 65 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1kb2 s ARG 67 N -1.60 3.22 0.12 0.00 0.52 -1.26 -4.98 118.95 114.97 1kb2 s ARG 67 Ca 0.57 -1.03 -0.31 0.00 -0.52 0.00 0.00 55.73 54.44 1kb2 s ARG 67 Cb -0.52 -4.40 -0.08 0.00 0.52 0.00 0.00 34.95 30.47 1kb2 s ARG 67 CO 0.59 -1.81 1.35 0.42 0.02 0.00 0.00 175.30 175.87 1kb2 s ILE 68 N 3.79 3.39 0.14 1.52 -1.09 -1.26 -4.97 121.20 122.72 1kb2 s ILE 68 Ca 0.25 1.02 0.03 0.00 -2.23 0.00 0.00 60.65 59.71 1kb2 s ILE 68 Cb -0.14 -3.65 -0.04 0.00 -1.58 0.00 0.00 42.46 37.04 1kb2 s ILE 68 CO 0.06 0.09 -0.05 0.42 -1.23 0.00 0.00 174.94 174.22 1kb2 s THR 69 N 0.95 0.85 0.53 2.92 -4.23 -1.26 -4.64 115.64 110.77 1kb2 s THR 69 Ca 0.63 -1.99 0.39 0.00 -1.18 0.00 0.00 61.69 59.53 1kb2 s THR 69 Cb -0.36 -1.89 0.59 0.00 1.34 0.00 0.00 72.50 72.18 1kb2 s THR 69 CO 0.31 -0.70 1.74 0.50 -0.54 0.00 0.00 174.62 175.93 1kb2 h LYS 70 N 2.81 0.03 0.00 3.99 1.63 -0.96 -2.03 116.57 122.04 1kb2 h LYS 70 Ca -0.36 -0.00 -0.30 0.00 -0.85 0.00 0.00 60.65 59.14 1kb2 h LYS 70 Cb 1.19 -0.01 -0.05 0.00 -0.60 0.00 0.00 32.23 32.76 1kb2 h LYS 70 CO 0.64 0.02 -2.09 -0.25 -3.45 0.00 0.00 179.45 174.32 1kb2 n ASP 71 N -4.18 0.30 -0.43 4.20 10.43 -1.26 -4.49 116.55 121.12 1kb2 n ASP 71 Ca 0.31 0.14 0.11 0.00 2.57 0.00 0.00 54.79 57.92 1kb2 n ASP 71 Cb 1.42 0.75 0.01 0.00 1.84 0.00 0.00 41.12 45.14 1kb2 n ASP 71 CO 0.00 0.00 0.00 -0.46 -1.07 0.00 0.00 177.20 175.67 1kb2 n ASN 72 N -2.79 1.86 0.22 -2.24 0.23 -0.99 -4.61 115.26 106.95 1kb2 n ASN 72 Ca -0.24 -1.42 0.15 0.00 -0.53 0.00 0.00 54.58 52.54 1kb2 n ASN 72 Cb 1.05 0.50 0.62 0.00 -2.08 0.00 0.00 39.78 39.87 1kb2 n ASN 72 CO 0.00 0.00 0.00 0.08 -0.93 0.00 0.00 177.26 176.41 1kb2 h ARG 73 N 2.12 0.00 0.00 -3.83 0.11 -1.61 0.29 114.38 111.47 1kb2 h ARG 73 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1kb2 h ARG 73 Cb 0.72 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.80 1kb2 h ARG 73 CO 0.00 0.00 -0.20 0.54 0.10 0.00 0.00 179.97 180.41 1kb2 n ARG 74 N -3.06 0.19 0.06 0.08 1.74 -1.26 -3.92 116.66 110.50 1kb2 n ARG 74 Ca 0.03 0.12 -0.19 0.00 -0.77 0.00 0.00 57.85 57.04 1kb2 n ARG 74 Cb 0.65 -1.69 -0.10 0.00 -1.02 0.00 0.00 32.46 30.31 1kb2 n ARG 74 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1kb2 h HIS 75 N 0.00 0.93 -3.37 -1.55 3.86 -0.75 -3.40 115.15 110.87 1kb2 h HIS 75 Ca 0.00 -0.53 -0.63 0.00 -1.16 0.00 0.00 60.37 58.05 1kb2 h HIS 75 Cb 0.67 -0.10 -0.40 0.00 1.06 0.00 0.00 27.41 28.64 1kb2 h HIS 75 CO 0.00 1.37 -0.71 0.00 0.86 0.00 0.00 177.93 179.45 1kb2 h GLN 77 N 7.22 1.01 -0.37 0.00 4.20 -1.79 -0.39 115.11 124.99 1kb2 h GLN 77 Ca -0.06 -0.35 0.08 0.00 0.06 0.00 0.00 58.65 58.38 1kb2 h GLN 77 Cb 0.97 -0.08 -0.07 0.00 0.30 0.00 0.00 27.48 28.60 1kb2 h GLN 77 CO 0.55 1.03 -0.10 0.00 -0.67 0.00 0.00 178.83 179.64 1kb2 h ALA 78 N 0.95 0.23 -0.37 3.87 0.00 -1.85 0.14 119.26 122.22 1kb2 h ALA 78 Ca 0.15 0.14 -0.15 0.00 0.00 0.00 0.00 54.91 55.06 1kb2 h ALA 78 Cb 0.60 0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 1kb2 h ALA 78 CO 0.04 -0.47 -0.34 0.00 0.00 0.00 0.00 179.25 178.49 1kb2 h ARG 80 N 0.69 0.24 -0.10 0.00 2.43 -0.46 -0.45 114.38 116.73 1kb2 h ARG 80 Ca 0.06 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.21 1kb2 h ARG 80 Cb 0.92 -0.05 -0.00 0.00 -0.42 0.00 0.00 29.97 30.41 1kb2 h ARG 80 CO 0.09 0.16 0.03 1.25 -1.51 0.00 0.00 179.97 179.99 1kb2 h LEU 81 N 0.25 0.15 -1.52 3.80 5.85 -0.69 -0.64 115.31 122.51 1kb2 h LEU 81 Ca 0.11 -0.20 0.05 0.00 0.84 0.00 0.00 57.88 58.68 1kb2 h LEU 81 Cb 0.06 -0.04 -0.03 0.00 0.37 0.00 0.00 40.66 41.02 1kb2 h LEU 81 CO -0.10 0.31 0.38 0.50 -0.34 0.00 0.00 178.44 179.19 1kb2 h LYS 82 N -0.02 0.59 -0.33 1.25 1.63 -1.15 -1.95 116.57 116.60 1kb2 h LYS 82 Ca 0.03 -0.04 -0.04 0.00 -0.85 0.00 0.00 60.65 59.76 1kb2 h LYS 82 Cb 0.21 -0.13 -0.01 0.00 -0.60 0.00 0.00 32.23 31.70 1kb2 h LYS 82 CO -0.00 0.39 0.04 -0.09 -3.45 0.00 0.00 179.45 176.34 1kb2 h ARG 83 N 0.61 0.55 -0.48 1.90 9.65 -0.40 -0.72 114.38 125.49 1kb2 h ARG 83 Ca 0.24 -0.15 0.07 0.00 -1.10 0.00 0.00 59.98 59.04 1kb2 h ARG 83 Cb 0.18 -0.06 -0.06 0.00 -1.39 0.00 0.00 29.97 28.64 1kb2 h ARG 83 CO -0.07 0.65 0.13 0.00 2.80 0.00 0.00 179.97 183.48 1kb2 h VAL 85 N 0.28 1.20 -0.36 0.00 2.07 -1.29 0.58 116.25 118.73 1kb2 h VAL 85 Ca 0.23 -0.62 0.01 0.00 0.82 0.00 0.00 66.70 67.15 1kb2 h VAL 85 Cb 0.28 1.35 -0.02 0.00 -1.52 0.00 0.00 31.29 31.38 1kb2 h VAL 85 CO -0.28 0.18 0.24 0.44 0.02 0.00 0.00 177.57 178.18 1kb2 h ASP 86 N 0.03 0.38 -0.02 0.57 3.32 -0.36 -0.56 116.42 119.77 1kb2 h ASP 86 Ca 0.04 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.09 1kb2 h ASP 86 Cb 0.25 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 39.71 1kb2 h ASP 86 CO 0.00 0.27 0.00 2.30 -1.72 0.00 0.00 179.24 180.09 1kb2 n ILE 87 N -4.48 0.02 0.00 0.35 -5.35 0.45 -4.88 119.36 105.47 1kb2 n ILE 87 Ca 0.03 -0.11 0.00 0.00 -0.27 0.00 0.00 62.75 62.40 1kb2 n ILE 87 Cb 0.10 -0.08 0.00 0.00 -1.74 0.00 0.00 39.64 37.92 1kb2 n ILE 87 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1kb2 n GLY 88 N 1.03 1.08 3.77 3.28 0.00 -0.22 -4.87 105.19 109.26 1kb2 n GLY 88 Ca 0.20 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.82 1kb2 n GLY 88 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1kb2 s MET 89 N -0.50 4.29 -0.10 1.61 -1.94 0.18 -4.61 119.30 118.23 1kb2 s MET 89 Ca 0.00 2.12 0.01 0.00 -1.71 0.00 0.00 55.69 56.11 1kb2 s MET 89 Cb 0.00 -2.99 0.02 0.00 2.01 0.00 0.00 34.83 33.87 1kb2 s MET 89 CO 0.00 -0.21 -0.12 -1.64 -0.01 0.00 0.00 175.02 173.04 1kb2 s MET 90 N -1.88 1.91 0.49 2.03 -1.94 0.65 -4.56 119.30 116.00 1kb2 s MET 90 Ca 0.51 -0.44 0.16 0.00 -1.71 0.00 0.00 55.69 54.20 1kb2 s MET 90 Cb -0.38 -1.70 1.18 0.00 2.01 0.00 0.00 34.83 35.95 1kb2 s MET 90 CO 0.49 -0.10 2.07 1.57 -0.01 0.00 0.00 175.02 179.05 1kb2 h LYS 91 N 7.52 0.17 0.00 2.03 2.10 -1.95 -0.83 116.57 125.60 1kb2 h LYS 91 Ca -0.31 -0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.33 1kb2 h LYS 91 Cb 1.16 -0.04 0.00 0.00 -0.90 0.00 0.00 32.23 32.46 1kb2 h LYS 91 CO 0.47 0.11 0.09 0.93 -2.00 0.00 0.00 179.45 179.05 1kb2 h GLU 92 N 0.17 0.00 0.00 0.07 3.07 -1.96 0.45 114.58 116.37 1kb2 h GLU 92 Ca 0.13 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.99 1kb2 h GLU 92 Cb 0.29 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.20 1kb2 h GLU 92 CO -0.02 0.00 -0.54 1.19 -1.40 0.00 0.00 179.01 178.24 1kb2 n PHE 93 N -2.54 0.32 -2.64 4.33 0.99 -0.32 -4.83 117.46 112.79 1kb2 n PHE 93 Ca -0.02 0.09 -0.41 0.00 -0.00 0.00 0.00 57.45 57.12 1kb2 n PHE 93 Cb 0.14 -0.50 -0.04 0.00 -1.00 0.00 0.00 39.48 38.07 1kb2 n PHE 93 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.76 177.18 1kb2 s ILE 94 N -3.10 4.15 0.61 4.37 1.01 0.15 -4.97 121.20 123.41 1kb2 s ILE 94 Ca 0.08 1.87 -0.17 0.00 0.00 0.00 0.00 60.65 62.44 1kb2 s ILE 94 Cb 0.15 -4.19 -0.03 0.00 0.01 0.00 0.00 42.46 38.40 1kb2 s ILE 94 CO 0.70 0.33 1.10 -0.76 0.00 0.00 0.00 174.94 176.31 1kb2 s LEU 95 N -0.35 3.53 0.61 2.97 1.43 -1.26 -5.04 118.68 120.57 1kb2 s LEU 95 Ca 0.47 1.99 -0.02 0.00 -1.03 0.00 0.00 54.13 55.55 1kb2 s LEU 95 Cb -0.26 -4.55 0.04 0.00 0.03 0.00 0.00 46.19 41.45 1kb2 s LEU 95 CO 0.32 -1.37 0.87 0.42 0.23 0.00 0.00 176.35 176.82 1kb2 s THR 96 N -2.21 2.53 0.23 5.49 -4.23 -1.26 -4.90 115.64 111.29 1kb2 s THR 96 Ca 0.68 -0.50 -0.08 0.00 -1.18 0.00 0.00 61.69 60.61 1kb2 s THR 96 Cb -0.20 -3.01 0.21 0.00 1.34 0.00 0.00 72.50 70.84 1kb2 s THR 96 CO 0.36 -0.01 1.90 0.44 -0.54 0.00 0.00 174.62 176.77 1kb2 h ASP 97 N -0.20 1.00 -0.58 3.99 3.32 -1.99 -1.25 116.42 120.70 1kb2 h ASP 97 Ca -0.43 -0.02 -0.06 0.00 0.02 0.00 0.00 57.03 56.53 1kb2 h ASP 97 Cb 1.30 -0.24 -0.03 0.00 0.22 0.00 0.00 39.33 40.58 1kb2 h ASP 97 CO 0.56 0.71 0.13 -0.33 -1.72 0.00 0.00 179.24 178.59 1kb2 h GLU 98 N 1.17 0.98 -0.38 3.56 3.07 -1.98 0.22 114.58 121.23 1kb2 h GLU 98 Ca 0.33 -0.23 -0.08 0.00 -0.50 0.00 0.00 59.36 58.88 1kb2 h GLU 98 Cb -0.11 -0.13 -0.02 0.00 -0.84 0.00 0.00 28.75 27.65 1kb2 h GLU 98 CO -0.08 0.88 -0.11 0.93 -1.40 0.00 0.00 179.01 179.23 1kb2 h GLU 99 N 0.93 0.66 -0.20 2.33 5.08 -1.78 0.28 114.58 121.88 1kb2 h GLU 99 Ca 0.20 -0.20 -0.04 0.00 -1.00 0.00 0.00 59.36 58.31 1kb2 h GLU 99 Cb 0.36 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.54 1kb2 h GLU 99 CO 0.00 0.75 -0.05 0.28 -1.00 0.00 0.00 179.01 179.00 1kb2 h VAL 100 N 0.60 1.28 0.81 3.13 2.07 -0.57 -1.36 116.25 122.22 1kb2 h VAL 100 Ca 0.11 -1.02 -0.04 0.00 0.82 0.00 0.00 66.70 66.57 1kb2 h VAL 100 Cb 0.54 1.56 0.01 0.00 -1.52 0.00 0.00 31.29 31.88 1kb2 h VAL 100 CO 0.03 0.31 -0.39 1.56 0.02 0.00 0.00 177.57 179.10 1kb2 h GLN 101 N 0.10 -1.05 -0.91 1.57 1.08 -0.19 0.61 115.11 116.31 1kb2 h GLN 101 Ca 0.05 0.07 0.26 0.00 -1.45 0.00 0.00 58.65 57.59 1kb2 h GLN 101 Cb 0.49 0.24 -0.04 0.00 -0.05 0.00 0.00 27.48 28.12 1kb2 h GLN 101 CO 0.02 -0.69 0.66 0.00 -0.95 0.00 0.00 178.83 177.86 1kb2 h ARG 102 N -1.17 0.00 0.09 1.46 2.47 -0.50 0.11 114.38 116.85 1kb2 h ARG 102 Ca -0.11 -0.00 -0.26 0.00 -1.26 0.00 0.00 59.98 58.35 1kb2 h ARG 102 Cb 0.85 -0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.17 1kb2 h ARG 102 CO 0.18 0.00 -1.16 -0.22 0.56 0.00 0.00 179.97 179.34 1kb2 h LYS 103 N 0.00 0.27 -0.54 0.04 3.64 0.03 -2.86 116.57 117.14 1kb2 h LYS 103 Ca 0.43 -0.42 -0.07 0.00 -1.27 0.00 0.00 60.65 59.32 1kb2 h LYS 103 Cb 1.74 0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 33.68 1kb2 h LYS 103 CO -0.01 1.17 0.06 0.00 -2.27 0.00 0.00 179.45 178.41 1kb2 h ARG 104 N 0.09 0.92 -0.26 1.90 3.08 0.26 -2.28 114.38 118.09 1kb2 h ARG 104 Ca -0.11 -0.26 0.06 0.00 0.07 0.00 0.00 59.98 59.73 1kb2 h ARG 104 Cb 1.87 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 31.81 1kb2 h ARG 104 CO 0.19 0.90 0.18 0.93 -1.07 0.00 0.00 179.97 181.10 1kb2 h GLU 105 N 0.80 0.09 0.00 0.04 5.08 -1.08 0.26 114.58 119.78 1kb2 h GLU 105 Ca 0.16 -0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.50 1kb2 h GLU 105 Cb 0.45 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.67 1kb2 h GLU 105 CO 0.02 0.06 -0.69 0.52 -1.00 0.00 0.00 179.01 177.92 1kb2 h MET 106 N 0.09 0.00 0.05 2.33 2.86 -1.19 -3.00 114.93 116.07 1kb2 h MET 106 Ca 0.12 0.00 -0.30 0.00 -2.06 0.00 0.00 59.70 57.46 1kb2 h MET 106 Cb 0.36 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 31.99 1kb2 h MET 106 CO -0.01 0.05 -1.66 0.82 1.06 0.00 0.00 176.91 177.17 1kb2 h ILE 107 N 0.00 0.95 -0.71 -1.22 5.03 -0.96 -3.31 117.51 117.30 1kb2 h ILE 107 Ca -0.01 -2.72 -0.44 0.00 -0.12 0.00 0.00 64.86 61.57 1kb2 h ILE 107 Cb 1.07 2.55 -0.18 0.00 -3.03 0.00 0.00 36.82 37.23 1kb2 h ILE 107 CO 0.01 0.69 0.54 0.00 -0.68 0.00 0.00 178.15 178.70 1kb2 n LEU 108 N -3.25 6.79 -0.33 1.44 -0.00 0.88 -2.19 117.00 120.35 1kb2 n LEU 108 Ca -0.18 -3.66 0.00 0.00 -0.00 0.00 0.00 56.01 52.17 1kb2 n LEU 108 Cb 1.04 -1.06 0.00 0.00 -0.00 0.00 0.00 43.42 43.40 1kb2 n LEU 108 CO 0.46 1.36 0.19 1.17 -0.00 0.00 0.00 177.39 180.57 1kb2 n LYS 109 N 0.10 0.00 0.00 1.47 4.81 -1.14 -4.87 118.16 118.53 1kb2 n LYS 109 Ca 0.40 -0.25 0.00 0.00 -0.87 0.00 0.00 58.31 57.60 1kb2 n LYS 109 Cb 0.58 -0.15 0.00 0.00 0.02 0.00 0.00 35.03 35.49 1kb2 n LYS 109 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11