#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1t23 s ASN 2 N 0.00 6.89 0.47 -3.46 3.04 -1.26 -4.99 114.94 115.63 1t23 s ASN 2 Ca 0.00 1.82 -0.20 0.00 0.04 0.00 0.00 52.86 54.53 1t23 s ASN 2 Cb 0.00 -2.56 -0.09 0.00 -1.54 0.00 0.00 41.25 37.06 1t23 s ASN 2 CO 0.00 -0.40 0.99 -0.89 -3.04 0.00 0.00 177.10 173.76 1t23 s THR 3 N -1.93 4.22 -0.08 -5.21 2.01 -1.26 -4.76 115.64 108.62 1t23 s THR 3 Ca 0.60 1.29 0.02 0.00 0.31 0.00 0.00 61.69 63.91 1t23 s THR 3 Cb -0.15 -3.57 -0.02 0.00 0.01 0.00 0.00 72.50 68.78 1t23 s THR 3 CO 0.19 -0.38 -0.13 -0.13 -0.69 0.00 0.00 174.62 173.48 1t23 s ARG 4 N -3.43 2.87 0.33 4.92 3.00 -0.03 -4.83 118.95 121.78 1t23 s ARG 4 Ca 0.63 -0.67 -0.27 0.00 0.00 0.00 0.00 55.73 55.42 1t23 s ARG 4 Cb -0.12 -2.50 -0.09 0.00 0.00 0.00 0.00 34.95 32.23 1t23 s ARG 4 CO 0.20 0.48 1.01 1.21 0.00 0.00 0.00 175.30 178.19 1t23 s ASN 5 N -0.34 7.18 -0.04 0.23 2.47 -1.26 0.69 114.94 123.87 1t23 s ASN 5 Ca 0.03 1.99 -0.03 0.00 0.42 0.00 0.00 52.86 55.28 1t23 s ASN 5 Cb -0.13 -2.59 0.02 0.00 -1.45 0.00 0.00 41.25 37.10 1t23 s ASN 5 CO 0.02 -0.19 0.10 -0.36 -3.72 0.00 0.00 177.10 172.96 1t23 s PHE 6 N -1.49 -0.11 -0.08 0.43 0.08 0.52 -4.46 117.98 112.87 1t23 s PHE 6 Ca 0.50 0.29 0.05 0.00 0.12 0.00 0.00 56.93 57.89 1t23 s PHE 6 Cb -0.23 -0.00 -0.01 0.00 -0.57 0.00 0.00 43.02 42.21 1t23 s PHE 6 CO 0.29 -0.07 -0.23 0.14 -0.10 0.00 0.00 175.22 175.24 1t23 s VAL 7 N 0.32 2.16 0.10 -0.44 -7.23 0.33 -2.78 120.40 112.86 1t23 s VAL 7 Ca -0.02 -1.01 -0.25 0.00 -1.81 0.00 0.00 61.98 58.89 1t23 s VAL 7 Cb -0.03 -1.81 0.08 0.00 0.56 0.00 0.00 36.38 35.18 1t23 s VAL 7 CO -0.01 0.56 0.75 -1.48 -0.31 0.00 0.00 175.10 174.61 1t23 s LEU 8 N 0.07 -0.44 -0.20 1.32 2.34 -0.40 -3.45 118.68 117.93 1t23 s LEU 8 Ca -0.10 -0.07 -0.02 0.00 0.06 0.00 0.00 54.13 54.00 1t23 s LEU 8 Cb -0.16 2.34 0.06 0.00 -0.56 0.00 0.00 46.19 47.88 1t23 s LEU 8 CO 0.06 -0.85 0.01 -0.13 -1.06 0.00 0.00 176.35 174.38 1t23 s ARG 9 N -3.47 0.95 0.00 1.48 1.81 0.36 -2.70 118.95 117.37 1t23 s ARG 9 Ca 0.04 -0.56 0.00 0.00 -1.72 0.00 0.00 55.73 53.49 1t23 s ARG 9 Cb -0.01 -2.20 0.00 0.00 -0.45 0.00 0.00 34.95 32.29 1t23 s ARG 9 CO -0.09 -0.61 0.00 -3.47 -0.68 0.00 0.00 175.30 170.45 1t23 n ASP 10 N 4.94 0.00 -2.14 0.23 2.03 -0.72 0.30 116.55 121.19 1t23 n ASP 10 Ca -0.10 0.00 -0.08 0.00 0.52 0.00 0.00 54.79 55.14 1t23 n ASP 10 Cb 0.46 0.00 0.04 0.00 -0.72 0.00 0.00 41.12 40.90 1t23 n ASP 10 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1t23 n GLU 11 N 0.00 -2.68 -0.87 -0.67 4.71 0.97 -2.85 120.64 119.25 1t23 n GLU 11 Ca 0.00 0.39 0.00 0.00 -0.01 0.00 0.00 57.16 57.54 1t23 n GLU 11 Cb 0.00 -3.94 0.00 0.00 -1.01 0.00 0.00 31.44 26.49 1t23 n GLU 11 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 1t23 n ASP 12 N -2.02 -4.64 0.00 1.62 8.00 -0.62 -4.82 116.55 114.08 1t23 n ASP 12 Ca -0.12 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.38 1t23 n ASP 12 Cb 0.57 -3.21 0.00 0.00 -0.02 0.00 0.00 41.12 38.46 1t23 n ASP 12 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1t23 n GLY 13 N 0.38 0.38 0.24 0.44 0.00 -1.13 -4.76 105.19 100.72 1t23 n GLY 13 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1t23 n GLY 13 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1t23 n ASN 14 N -1.30 0.00 -3.65 1.61 4.13 0.87 -4.60 115.26 112.32 1t23 n ASN 14 Ca 0.00 0.00 -0.02 0.00 1.68 0.00 0.00 54.58 56.24 1t23 n ASN 14 Cb 0.00 -0.02 -0.07 0.00 -1.54 0.00 0.00 39.78 38.15 1t23 n ASN 14 CO 0.00 0.00 0.00 -1.61 0.28 0.00 0.00 177.26 175.93 1t23 s GLU 15 N -0.28 0.08 -0.21 3.52 2.02 0.17 -2.52 118.70 121.48 1t23 s GLU 15 Ca 0.00 0.10 -0.22 0.00 0.02 0.00 0.00 54.97 54.87 1t23 s GLU 15 Cb 0.00 0.03 -0.02 0.00 0.10 0.00 0.00 34.13 34.25 1t23 s GLU 15 CO 0.00 -0.01 0.71 -3.38 0.02 0.00 0.00 175.26 172.60 1t23 s HIS 16 N 0.23 3.36 -0.30 1.61 -3.43 -1.24 0.14 115.29 115.66 1t23 s HIS 16 Ca 0.04 1.03 -0.14 0.00 -0.80 0.00 0.00 55.06 55.19 1t23 s HIS 16 Cb -0.04 -2.90 0.18 0.00 -1.43 0.00 0.00 32.58 28.38 1t23 s HIS 16 CO -0.14 -0.25 1.08 0.20 -2.00 0.00 0.00 174.74 173.63 1t23 s GLY 17 N 1.25 -0.29 -0.52 -1.38 0.00 -1.10 -3.61 107.32 101.67 1t23 s GLY 17 Ca 0.32 2.85 0.04 0.00 0.00 0.00 0.00 44.72 47.93 1t23 s GLY 17 CO 0.10 3.83 0.38 0.14 0.00 0.00 0.00 173.10 177.55 1t23 s VAL 18 N 2.95 1.45 0.01 1.40 1.01 -1.26 -1.28 120.40 124.68 1t23 s VAL 18 Ca -0.03 -3.22 -0.09 0.00 0.00 0.00 0.00 61.98 58.64 1t23 s VAL 18 Cb -0.10 -1.98 0.03 0.00 0.00 0.00 0.00 36.38 34.34 1t23 s VAL 18 CO -0.10 -1.09 0.43 2.22 0.00 0.00 0.00 175.10 176.56 1t23 n PHE 19 N 2.66 -0.36 -4.06 5.22 1.16 -1.12 -5.02 117.46 115.95 1t23 n PHE 19 Ca 0.22 -0.29 -0.33 0.00 -1.87 0.00 0.00 57.45 55.18 1t23 n PHE 19 Cb 0.41 0.13 -0.07 0.00 -1.61 0.00 0.00 39.48 38.35 1t23 n PHE 19 CO 0.00 0.00 0.00 0.95 -1.87 0.00 0.00 176.76 175.84 1t23 s THR 20 N -2.16 4.92 -0.06 1.97 -4.23 -1.26 -0.35 115.64 114.46 1t23 s THR 20 Ca 0.10 -0.29 0.04 0.00 -1.18 0.00 0.00 61.69 60.36 1t23 s THR 20 Cb -0.00 -3.24 -0.00 0.00 1.34 0.00 0.00 72.50 70.59 1t23 s THR 20 CO 0.00 0.38 -0.19 -0.83 -0.54 0.00 0.00 174.62 173.44 1t23 s GLY 21 N -1.67 1.04 0.01 3.99 0.00 0.22 -4.78 107.32 106.13 1t23 s GLY 21 Ca 0.23 -0.76 -0.26 0.00 0.00 0.00 0.00 44.72 43.93 1t23 s GLY 21 CO 0.13 -0.33 1.11 0.50 0.00 0.00 0.00 173.10 174.51 1t23 h LYS 22 N 6.41 -0.77 -4.56 2.90 1.57 -1.85 -0.05 116.57 120.22 1t23 h LYS 22 Ca -0.30 0.05 -0.70 0.00 -1.87 0.00 0.00 60.65 57.83 1t23 h LYS 22 Cb 1.19 0.18 -0.30 0.00 0.08 0.00 0.00 32.23 33.38 1t23 h LYS 22 CO 0.47 -0.47 -0.55 -0.65 -0.57 0.00 0.00 179.45 177.69 1t23 s GLN 23 N -4.60 2.49 0.57 3.15 -0.21 -1.26 -4.56 119.66 115.24 1t23 s GLN 23 Ca -0.14 -1.42 0.26 0.00 0.02 0.00 0.00 55.36 54.09 1t23 s GLN 23 Cb 0.02 -3.59 1.68 0.00 1.00 0.00 0.00 33.01 32.12 1t23 s GLN 23 CO 0.44 -0.85 2.23 -1.00 -2.12 0.00 0.00 175.29 173.99 1t23 h PRO 24 N 8.25 0.00 0.00 2.91 0.13 -1.95 0.42 132.00 141.76 1t23 h PRO 24 Ca -0.21 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.90 1t23 h PRO 24 Cb 1.07 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.20 1t23 h PRO 24 CO 0.68 0.00 -0.33 0.00 -0.23 0.00 0.00 178.00 178.12 1t23 h ARG 25 N 0.00 0.00 -0.67 0.86 3.08 -1.93 -3.00 114.38 112.72 1t23 h ARG 25 Ca -0.00 0.00 0.02 0.00 0.07 0.00 0.00 59.98 60.07 1t23 h ARG 25 Cb 0.00 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.01 1t23 h ARG 25 CO 0.00 0.16 0.42 0.37 -1.07 0.00 0.00 179.97 179.86 1t23 h GLN 26 N -1.00 0.82 0.00 0.04 4.15 -1.35 -0.20 115.11 117.57 1t23 h GLN 26 Ca -0.03 -0.05 0.00 0.00 0.77 0.00 0.00 58.65 59.34 1t23 h GLN 26 Cb 0.41 -0.18 0.00 0.00 0.21 0.00 0.00 27.48 27.91 1t23 h GLN 26 CO -0.02 0.54 0.00 0.00 -1.93 0.00 0.00 178.83 177.42 1t23 h ALA 27 N 1.28 1.00 0.99 3.38 0.00 -0.35 -3.23 119.26 122.32 1t23 h ALA 27 Ca 0.26 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 55.13 1t23 h ALA 27 Cb -0.01 0.00 0.01 0.00 0.00 0.00 0.00 17.79 17.79 1t23 h ALA 27 CO -0.09 0.00 -0.49 0.00 0.00 0.00 0.00 179.25 178.67 1t23 h ALA 28 N 2.09 -1.36 -0.45 0.00 0.00 -0.87 0.45 119.26 119.12 1t23 h ALA 28 Ca 0.00 -0.29 -0.03 0.00 0.00 0.00 0.00 54.91 54.58 1t23 h ALA 28 Cb 0.43 0.53 -0.02 0.00 0.00 0.00 0.00 17.79 18.73 1t23 h ALA 28 CO 0.00 -1.26 0.15 1.37 0.00 0.00 0.00 179.25 179.50 1t23 h LEU 29 N -1.34 0.65 -0.38 0.00 8.10 -1.60 -2.64 115.31 118.10 1t23 h LEU 29 Ca -0.13 -0.20 -0.07 0.00 0.11 0.00 0.00 57.88 57.59 1t23 h LEU 29 Cb 1.03 -0.17 -0.01 0.00 -0.44 0.00 0.00 40.66 41.07 1t23 h LEU 29 CO 0.21 0.67 -0.02 0.11 -4.11 0.00 0.00 178.44 175.31 1t23 h LYS 30 N 0.58 0.68 -0.34 0.17 1.57 -1.57 -3.20 116.57 114.47 1t23 h LYS 30 Ca 0.15 -0.23 -0.03 0.00 -1.87 0.00 0.00 60.65 58.67 1t23 h LYS 30 Cb 0.25 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.49 1t23 h LYS 30 CO -0.01 0.79 0.10 0.00 -0.57 0.00 0.00 179.45 179.76 1t23 h ALA 31 N 0.86 0.44 -0.84 3.86 0.00 -0.04 -2.80 119.26 120.75 1t23 h ALA 31 Ca 0.10 -0.17 0.08 0.00 0.00 0.00 0.00 54.91 54.93 1t23 h ALA 31 Cb 0.50 -0.13 -0.06 0.00 0.00 0.00 0.00 17.79 18.10 1t23 h ALA 31 CO 0.02 0.09 0.55 0.00 0.00 0.00 0.00 179.25 179.91 1t23 h ALA 32 N 0.94 1.65 -0.92 0.00 0.00 -1.54 -0.42 119.26 118.97 1t23 h ALA 32 Ca 0.11 -0.01 0.23 0.00 0.00 0.00 0.00 54.91 55.24 1t23 h ALA 32 Cb 0.27 -0.21 -0.17 0.00 0.00 0.00 0.00 17.79 17.68 1t23 h ALA 32 CO -0.00 0.19 0.01 -0.97 0.00 0.00 0.00 179.25 178.48 1t23 h ASN 33 N 0.86 -0.45 0.00 0.00 -0.73 -1.48 -3.24 115.58 110.53 1t23 h ASN 33 Ca 0.38 0.25 0.00 0.00 1.87 0.00 0.00 56.30 58.80 1t23 h ASN 33 Cb 0.34 0.44 0.00 0.00 0.27 0.00 0.00 38.32 39.38 1t23 h ASN 33 CO -0.15 -0.29 0.00 0.54 -0.37 0.00 0.00 177.43 177.16 1t23 n ARG 34 N -5.44 0.00 -0.01 6.67 1.74 -0.31 -4.91 116.66 114.39 1t23 n ARG 34 Ca 0.20 0.08 0.02 0.00 -0.77 0.00 0.00 57.85 57.38 1t23 n ARG 34 Cb 0.65 -0.45 0.02 0.00 -1.02 0.00 0.00 32.46 31.66 1t23 n ARG 34 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1t23 n GLY 35 N 1.93 -0.44 0.13 -0.13 0.00 -0.35 -4.69 105.19 101.64 1t23 n GLY 35 Ca 0.00 -0.11 0.14 0.00 0.00 0.00 0.00 46.02 46.05 1t23 n GLY 35 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1t23 n SER 36 N 0.16 0.52 -3.53 1.61 2.88 -0.56 -4.25 113.62 110.45 1t23 n SER 36 Ca 0.03 -0.59 -0.00 0.00 -1.33 0.00 0.00 58.87 56.97 1t23 n SER 36 Cb 0.13 -0.05 -0.04 0.00 -0.75 0.00 0.00 64.21 63.50 1t23 n SER 36 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1t23 s GLY 37 N -2.48 -0.42 0.22 0.46 0.00 -1.23 -3.61 107.32 100.26 1t23 s GLY 37 Ca 0.28 2.74 0.26 0.00 0.00 0.00 0.00 44.72 47.99 1t23 s GLY 37 CO 0.48 3.10 1.76 2.41 0.00 0.00 0.00 173.10 180.86 1t23 n THR 38 N 5.08 0.65 0.00 0.90 -1.04 -1.25 -4.79 114.28 113.83 1t23 n THR 38 Ca -0.11 -0.17 0.00 0.00 -2.04 0.00 0.00 64.05 61.73 1t23 n THR 38 Cb 0.52 -0.72 0.00 0.00 -1.82 0.00 0.00 70.33 68.30 1t23 n THR 38 CO 0.00 0.00 0.00 1.17 -0.64 0.00 0.00 175.07 175.60 1t23 n LYS 39 N -2.27 0.00 0.24 -2.82 0.00 -1.26 -3.98 118.16 108.07 1t23 n LYS 39 Ca 0.05 0.00 0.16 0.00 0.00 0.00 0.00 58.31 58.52 1t23 n LYS 39 Cb 0.38 0.00 0.65 0.00 0.00 0.00 0.00 35.03 36.07 1t23 n LYS 39 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1t23 h ALA 40 N 0.00 1.00 -0.32 3.14 0.00 -1.97 -3.35 119.26 117.76 1t23 h ALA 40 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 54.91 54.63 1t23 h ALA 40 Cb 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 17.79 17.61 1t23 h ALA 40 CO 0.00 0.00 -0.58 -1.71 0.00 0.00 0.00 179.25 176.96 1t23 n ASN 41 N -2.89 -2.28 -3.17 0.00 4.05 -1.26 -4.89 115.26 104.83 1t23 n ASN 41 Ca 0.01 -3.30 -0.14 0.00 0.45 0.00 0.00 54.58 51.60 1t23 n ASN 41 Cb 0.28 1.46 -0.03 0.00 1.23 0.00 0.00 39.78 42.72 1t23 n ASN 41 CO 0.00 0.00 0.00 -0.81 -3.05 0.00 0.00 177.26 173.40 1t23 n PRO 42 N 1.32 1.45 -1.09 1.20 -0.04 -1.26 0.32 135.00 136.91 1t23 n PRO 42 Ca 0.11 -1.60 0.00 0.00 -0.04 0.00 0.00 63.50 61.96 1t23 n PRO 42 Cb 0.63 0.42 0.00 0.00 -0.04 0.00 0.00 33.50 34.51 1t23 n PRO 42 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1t23 n ASP 43 N -1.16 0.00 -3.90 3.54 -0.08 -1.13 -2.92 116.55 110.89 1t23 n ASP 43 Ca -0.09 -0.87 -0.26 0.00 -1.51 0.00 0.00 54.79 52.06 1t23 n ASP 43 Cb 0.28 0.00 -0.17 0.00 2.34 0.00 0.00 41.12 43.57 1t23 n ASP 43 CO 0.00 0.00 0.00 -0.51 0.12 0.00 0.00 177.20 176.81 1t23 s ILE 44 N -2.74 0.98 0.31 5.18 1.10 -1.05 -3.17 121.20 121.81 1t23 s ILE 44 Ca 0.00 -0.27 -0.10 0.00 -0.51 0.00 0.00 60.65 59.77 1t23 s ILE 44 Cb 0.00 -1.00 0.04 0.00 0.15 0.00 0.00 42.46 41.65 1t23 s ILE 44 CO 0.00 0.36 0.60 2.30 -2.11 0.00 0.00 174.94 176.08 1t23 n ILE 45 N 4.87 0.00 -2.98 2.00 -6.64 -1.18 -4.92 119.36 110.51 1t23 n ILE 45 Ca -0.13 -0.92 -0.44 0.00 -1.77 0.00 0.00 62.75 59.50 1t23 n ILE 45 Cb 0.50 0.82 -0.04 0.00 -1.44 0.00 0.00 39.64 39.48 1t23 n ILE 45 CO 0.00 0.00 0.00 -0.13 -1.77 0.00 0.00 176.55 174.65 1t23 s ARG 46 N -2.18 3.08 -0.81 6.28 0.52 -1.26 -3.24 118.95 121.36 1t23 s ARG 46 Ca 0.15 -1.04 -0.25 0.00 -0.52 0.00 0.00 55.73 54.06 1t23 s ARG 46 Cb -0.03 -4.24 -0.04 0.00 0.52 0.00 0.00 34.95 31.16 1t23 s ARG 46 CO 0.11 -1.67 1.92 -0.51 0.02 0.00 0.00 175.30 175.17 1t23 s LEU 47 N 3.41 3.21 0.00 2.53 1.02 0.55 -4.67 118.68 124.72 1t23 s LEU 47 Ca 0.17 -0.34 0.00 0.00 0.02 0.00 0.00 54.13 53.99 1t23 s LEU 47 Cb -0.20 -2.55 0.00 0.00 0.02 0.00 0.00 46.19 43.46 1t23 s LEU 47 CO 0.09 -2.63 0.00 -2.11 0.02 0.00 0.00 176.35 171.72 1t23 n ARG 48 N 8.97 2.57 -3.95 1.70 1.85 -1.22 0.42 116.66 127.00 1t23 n ARG 48 Ca 0.34 0.00 -0.09 0.00 -1.00 0.00 0.00 57.85 57.09 1t23 n ARG 48 Cb 0.49 0.00 -0.07 0.00 -1.05 0.00 0.00 32.46 31.83 1t23 n ARG 48 CO 0.00 0.00 0.00 -2.00 -0.01 0.00 0.00 177.63 175.62 1t23 s GLU 49 N -0.31 1.11 0.45 2.89 2.56 0.21 0.12 118.70 125.74 1t23 s GLU 49 Ca 0.00 -1.15 0.07 0.00 0.00 0.00 0.00 54.97 53.89 1t23 s GLU 49 Cb 0.00 0.37 -0.02 0.00 2.00 0.00 0.00 34.13 36.48 1t23 s GLU 49 CO 0.00 -0.40 0.27 1.03 -0.56 0.00 0.00 175.26 175.60 1t23 s ARG 50 N -3.95 2.30 0.00 4.30 0.52 -1.26 -4.43 118.95 116.42 1t23 s ARG 50 Ca 0.16 -1.85 0.00 0.00 -0.52 0.00 0.00 55.73 53.51 1t23 s ARG 50 Cb 0.04 -2.07 0.00 0.00 0.52 0.00 0.00 34.95 33.43 1t23 s ARG 50 CO -0.01 -0.27 0.00 0.41 0.02 0.00 0.00 175.30 175.44 1t23 n GLY 51 N -1.44 1.35 3.60 -3.53 0.00 -1.26 -4.88 105.19 99.04 1t23 n GLY 51 Ca -0.01 -0.08 -0.28 0.00 0.00 0.00 0.00 46.02 45.64 1t23 n GLY 51 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1t23 s THR 52 N -0.07 0.74 -0.51 2.61 -4.23 -1.26 -5.09 115.64 107.83 1t23 s THR 52 Ca 0.00 -2.00 -0.20 0.00 -1.18 0.00 0.00 61.69 58.31 1t23 s THR 52 Cb 0.00 -2.25 0.05 0.00 1.34 0.00 0.00 72.50 71.65 1t23 s THR 52 CO 0.00 0.00 0.67 -0.54 -0.54 0.00 0.00 174.62 174.21 1t23 s LYS 53 N -3.75 3.16 -0.29 3.99 1.02 -1.26 -4.79 119.74 117.82 1t23 s LYS 53 Ca 0.17 -0.77 0.01 0.00 0.02 0.00 0.00 55.97 55.39 1t23 s LYS 53 Cb 0.02 -4.09 0.15 0.00 -0.52 0.00 0.00 37.83 33.39 1t23 s LYS 53 CO 0.11 -1.25 0.35 0.21 -0.92 0.00 0.00 175.35 173.84 1t23 s LYS 54 N 2.84 0.38 -0.20 1.68 2.20 -1.26 0.35 119.74 125.73 1t23 s LYS 54 Ca 0.18 -0.04 -0.04 0.00 -0.36 0.00 0.00 55.97 55.70 1t23 s LYS 54 Cb -0.18 -0.49 0.07 0.00 -1.51 0.00 0.00 37.83 35.72 1t23 s LYS 54 CO 0.13 -1.04 0.09 0.08 -0.36 0.00 0.00 175.35 174.25 1t23 s VAL 55 N 2.42 0.05 -0.22 4.02 1.01 0.24 0.66 120.40 128.58 1t23 s VAL 55 Ca 0.10 -0.40 -0.10 0.00 0.00 0.00 0.00 61.98 61.58 1t23 s VAL 55 Cb -0.13 -0.77 -0.05 0.00 0.00 0.00 0.00 36.38 35.43 1t23 s VAL 55 CO -0.31 -0.38 0.13 -2.28 0.00 0.00 0.00 175.10 172.26 1t23 s HIS 56 N 2.06 3.32 -0.16 5.22 5.04 0.17 -0.01 115.29 130.94 1t23 s HIS 56 Ca 0.03 0.20 0.01 0.00 -1.54 0.00 0.00 55.06 53.76 1t23 s HIS 56 Cb -0.16 -2.19 0.00 0.00 0.04 0.00 0.00 32.58 30.27 1t23 s HIS 56 CO -0.15 0.14 -0.17 0.54 -2.34 0.00 0.00 174.74 172.76 1t23 s VAL 57 N 0.72 2.45 0.21 0.89 0.11 -1.25 0.20 120.40 123.74 1t23 s VAL 57 Ca 0.07 -0.83 -0.11 0.00 -2.93 0.00 0.00 61.98 58.17 1t23 s VAL 57 Cb -0.13 -2.03 0.04 0.00 -1.53 0.00 0.00 36.38 32.74 1t23 s VAL 57 CO 0.01 0.52 0.56 0.49 -3.33 0.00 0.00 175.10 173.35 1t23 n PHE 58 N 4.23 -1.62 -4.01 1.54 3.72 -1.20 -1.29 117.46 118.83 1t23 n PHE 58 Ca -0.20 -1.07 -0.23 0.00 -0.05 0.00 0.00 57.45 55.91 1t23 n PHE 58 Cb 0.51 0.53 -0.17 0.00 -0.94 0.00 0.00 39.48 39.42 1t23 n PHE 58 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 176.76 176.86 1t23 s LYS 59 N -2.05 0.95 -0.34 -1.08 1.02 -0.07 -3.13 119.74 115.05 1t23 s LYS 59 Ca 0.12 -0.08 -0.05 0.00 0.02 0.00 0.00 55.97 55.97 1t23 s LYS 59 Cb -0.03 -1.07 0.05 0.00 -0.52 0.00 0.00 37.83 36.26 1t23 s LYS 59 CO 0.06 -0.18 0.09 0.00 -0.92 0.00 0.00 175.35 174.40 1t23 s ALA 60 N 1.41 3.01 0.00 5.17 0.00 -1.19 -1.46 121.76 128.70 1t23 s ALA 60 Ca -0.03 -1.80 0.00 0.00 0.00 0.00 0.00 51.96 50.13 1t23 s ALA 60 Cb -0.13 -2.22 0.00 0.00 0.00 0.00 0.00 23.12 20.77 1t23 s ALA 60 CO -0.03 -1.36 0.00 0.91 0.00 0.00 0.00 175.76 175.28 1t23 n TRP 61 N 4.76 0.00 -3.82 0.00 8.01 -0.20 -4.12 117.44 122.08 1t23 n TRP 61 Ca -0.12 0.00 -0.30 0.00 -1.31 0.00 0.00 57.50 55.77 1t23 n TRP 61 Cb 0.44 0.00 -0.13 0.00 -2.01 0.00 0.00 31.31 29.61 1t23 n TRP 61 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.69 176.89 1t23 s LYS 62 N -0.04 1.65 0.21 -0.99 2.20 -1.26 0.21 119.74 121.71 1t23 s LYS 62 Ca 0.00 -2.36 -0.20 0.00 -0.36 0.00 0.00 55.97 53.06 1t23 s LYS 62 Cb 0.00 -2.80 0.07 0.00 -1.51 0.00 0.00 37.83 33.59 1t23 s LYS 62 CO 0.00 -1.15 0.95 0.39 -0.36 0.00 0.00 175.35 175.18 1t23 n GLU 63 N 3.24 0.70 -2.46 4.03 1.02 0.48 -4.78 120.64 122.87 1t23 n GLU 63 Ca 0.08 -1.53 -0.41 0.00 -0.02 0.00 0.00 57.16 55.29 1t23 n GLU 63 Cb 0.34 2.04 -0.03 0.00 -0.02 0.00 0.00 31.44 33.77 1t23 n GLU 63 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1t23 s ILE 64 N -2.09 3.66 0.00 -3.67 1.01 -1.26 -1.01 121.20 117.84 1t23 s ILE 64 Ca 0.21 0.36 0.00 0.00 0.00 0.00 0.00 60.65 61.22 1t23 s ILE 64 Cb -0.03 -4.75 0.00 0.00 0.01 0.00 0.00 42.46 37.69 1t23 s ILE 64 CO 0.06 -1.70 0.00 1.33 0.00 0.00 0.00 174.94 174.63 1t23 n VAL 65 N 6.53 0.00 -4.87 2.92 0.24 -0.59 -4.81 118.33 117.75 1t23 n VAL 65 Ca 0.06 0.00 -0.28 0.00 -2.04 0.00 0.00 64.34 62.08 1t23 n VAL 65 Cb 0.50 -1.45 -0.17 0.00 -1.47 0.00 0.00 33.84 31.24 1t23 n VAL 65 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1t23 s ASP 66 N -1.00 2.38 -0.61 -1.34 -1.08 0.13 -1.55 116.67 113.60 1t23 s ASP 66 Ca 0.00 -0.42 -0.26 0.00 -0.52 0.00 0.00 52.55 51.35 1t23 s ASP 66 Cb 0.00 -1.09 -0.04 0.00 -1.46 0.00 0.00 42.92 40.32 1t23 s ASP 66 CO 0.00 0.09 2.08 0.00 0.52 0.00 0.00 175.17 177.85 1t23 s ALA 67 N 0.53 1.87 -1.02 3.66 0.00 -0.61 -4.27 121.76 121.92 1t23 s ALA 67 Ca -0.16 -0.52 -0.15 0.00 0.00 0.00 0.00 51.96 51.13 1t23 s ALA 67 Cb -0.17 -4.36 0.18 0.00 0.00 0.00 0.00 23.12 18.78 1t23 s ALA 67 CO 0.06 -4.28 1.15 -1.25 0.00 0.00 0.00 175.76 171.45 1t23 s PRO 68 N 7.54 3.83 -1.35 0.00 0.04 -1.26 -4.67 135.00 139.14 1t23 s PRO 68 Ca 0.79 -2.34 -0.14 0.00 0.04 0.00 0.00 61.00 59.34 1t23 s PRO 68 Cb -0.13 -4.82 0.02 0.00 0.04 0.00 0.00 34.50 29.60 1t23 s PRO 68 CO 0.20 -1.61 0.26 1.63 0.04 0.00 0.00 177.00 177.52 1t23 n LYS 69 N 5.26 -0.65 0.00 4.56 5.02 -1.26 -4.83 118.16 126.26 1t23 n LYS 69 Ca 0.26 0.06 0.12 0.00 -2.02 0.00 0.00 58.31 56.73 1t23 n LYS 69 Cb 0.45 -2.94 0.19 0.00 -0.02 0.00 0.00 35.03 32.72 1t23 n LYS 69 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1t23 n ASN 70 N -2.42 0.63 -2.68 4.39 4.13 -1.26 -4.97 115.26 113.07 1t23 n ASN 70 Ca -0.23 -0.42 -0.20 0.00 1.68 0.00 0.00 54.58 55.41 1t23 n ASN 70 Cb 0.61 0.37 0.03 0.00 -1.54 0.00 0.00 39.78 39.26 1t23 n ASN 70 CO 0.00 0.00 0.00 -2.11 0.28 0.00 0.00 177.26 175.43 1t23 n ARG 71 N -1.44 -4.45 -3.23 3.52 1.85 -1.26 -2.21 116.66 109.44 1t23 n ARG 71 Ca 0.06 0.79 -0.41 0.00 -1.00 0.00 0.00 57.85 57.29 1t23 n ARG 71 Cb 0.34 -5.42 -0.08 0.00 -1.05 0.00 0.00 32.46 26.25 1t23 n ARG 71 CO 0.00 0.00 0.00 -1.25 -0.01 0.00 0.00 177.63 176.37 1t23 s PRO 72 N -5.58 3.65 0.38 2.89 0.04 -1.26 -4.66 135.00 130.46 1t23 s PRO 72 Ca 0.28 -0.12 0.23 0.00 0.04 0.00 0.00 61.00 61.43 1t23 s PRO 72 Cb -0.12 -3.80 0.29 0.00 0.04 0.00 0.00 34.50 30.91 1t23 s PRO 72 CO 0.35 -0.64 1.51 0.00 0.04 0.00 0.00 177.00 178.25 1t23 h ALA 73 N 8.44 0.90 0.21 8.56 0.00 -1.96 -3.32 119.26 132.09 1t23 h ALA 73 Ca -0.28 0.00 -0.34 0.00 0.00 0.00 0.00 54.91 54.30 1t23 h ALA 73 Cb 1.12 0.00 0.02 0.00 0.00 0.00 0.00 17.79 18.94 1t23 h ALA 73 CO 0.77 0.00 -1.57 -1.49 0.00 0.00 0.00 179.25 176.97 1t23 h TRP 74 N 0.00 0.82 -1.48 0.00 4.06 -1.98 -3.47 115.95 113.90 1t23 h TRP 74 Ca 0.00 -0.60 0.12 0.00 2.06 0.00 0.00 58.89 60.47 1t23 h TRP 74 Cb 0.99 -0.03 -0.28 0.00 -1.00 0.00 0.00 29.16 28.84 1t23 h TRP 74 CO 0.00 1.57 0.45 -1.64 -3.56 0.00 0.00 178.44 175.26 1t23 s MET 75 N -2.60 0.35 0.70 0.49 -1.94 -1.25 -5.18 119.30 109.87 1t23 s MET 75 Ca -0.11 0.57 -0.06 0.00 -1.71 0.00 0.00 55.69 54.38 1t23 s MET 75 Cb 0.05 0.10 0.15 0.00 2.01 0.00 0.00 34.83 37.13 1t23 s MET 75 CO 0.90 -0.07 0.95 -0.35 -0.01 0.00 0.00 175.02 176.45 1t23 n PRO 76 N 3.29 -0.44 -0.20 2.03 -0.04 -1.26 -4.66 135.00 133.71 1t23 n PRO 76 Ca -0.17 -2.05 0.05 0.00 -0.04 0.00 0.00 63.50 61.29 1t23 n PRO 76 Cb 0.57 -0.80 0.15 0.00 -0.04 0.00 0.00 33.50 33.39 1t23 n PRO 76 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1t23 n GLU 77 N -2.88 1.91 -3.12 0.54 1.02 -1.26 -4.57 120.64 112.28 1t23 n GLU 77 Ca 0.14 -1.23 -0.45 0.00 -0.02 0.00 0.00 57.16 55.60 1t23 n GLU 77 Cb 0.49 -1.34 -0.00 0.00 -0.02 0.00 0.00 31.44 30.57 1t23 n GLU 77 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 1t23 s LYS 78 N -1.59 4.07 -0.17 3.49 2.20 -1.26 0.17 119.74 126.66 1t23 s LYS 78 Ca 0.23 -2.75 -0.35 0.00 -0.36 0.00 0.00 55.97 52.74 1t23 s LYS 78 Cb 0.13 -4.82 0.14 0.00 -1.51 0.00 0.00 37.83 31.77 1t23 s LYS 78 CO 0.14 -1.54 1.34 -1.50 -0.36 0.00 0.00 175.35 173.43 1t23 s ILE 79 N 0.51 0.00 -0.55 5.43 1.10 -0.60 -4.77 121.20 122.33 1t23 s ILE 79 Ca 0.36 -0.05 -0.28 0.00 -0.51 0.00 0.00 60.65 60.18 1t23 s ILE 79 Cb -0.06 -1.44 0.00 0.00 0.15 0.00 0.00 42.46 41.11 1t23 s ILE 79 CO -0.04 0.00 1.56 -0.44 -2.11 0.00 0.00 174.94 173.91 1t23 s SER 80 N -2.48 5.90 0.00 4.50 0.01 -1.26 -1.54 113.70 118.82 1t23 s SER 80 Ca 0.13 0.40 0.00 0.00 1.31 0.00 0.00 55.95 57.79 1t23 s SER 80 Cb 0.02 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 63.71 1t23 s SER 80 CO -0.04 -1.87 0.00 0.29 0.41 0.00 0.00 173.24 172.03 1t23 n LYS 81 N 8.78 0.00 -2.16 12.44 5.02 -0.18 -4.83 118.16 137.23 1t23 n LYS 81 Ca 0.15 0.00 -0.42 0.00 -2.02 0.00 0.00 58.31 56.02 1t23 n LYS 81 Cb 0.50 0.00 -0.03 0.00 -0.02 0.00 0.00 35.03 35.48 1t23 n LYS 81 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1t23 s PRO 82 N 0.28 4.22 0.68 1.97 0.04 -1.25 0.18 135.00 141.12 1t23 s PRO 82 Ca 0.00 2.01 -0.17 0.00 0.04 0.00 0.00 61.00 62.88 1t23 s PRO 82 Cb 0.00 -3.80 -0.01 0.00 0.04 0.00 0.00 34.50 30.73 1t23 s PRO 82 CO 0.00 -0.73 1.08 1.19 0.04 0.00 0.00 177.00 178.58 1t23 n PHE 83 N 6.45 1.13 -3.33 0.56 3.72 0.55 -4.63 117.46 121.91 1t23 n PHE 83 Ca 0.15 0.41 -0.17 0.00 -0.05 0.00 0.00 57.45 57.79 1t23 n PHE 83 Cb 0.43 -2.15 -0.07 0.00 -0.94 0.00 0.00 39.48 36.75 1t23 n PHE 83 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 1t23 s VAL 84 N -1.63 -0.31 -0.28 -4.37 1.01 -1.09 -1.03 120.40 112.70 1t23 s VAL 84 Ca 0.77 -1.13 -0.29 0.00 0.00 0.00 0.00 61.98 61.33 1t23 s VAL 84 Cb -0.37 -0.67 0.01 0.00 0.00 0.00 0.00 36.38 35.35 1t23 s VAL 84 CO 0.46 -0.61 1.06 -0.54 0.00 0.00 0.00 175.10 175.47 1t23 s LYS 85 N 1.27 4.16 0.65 2.72 -0.14 -0.53 -4.71 119.74 123.16 1t23 s LYS 85 Ca 0.19 1.22 -0.14 0.00 -1.36 0.00 0.00 55.97 55.88 1t23 s LYS 85 Cb -0.13 -3.69 -0.01 0.00 -1.68 0.00 0.00 37.83 32.32 1t23 s LYS 85 CO -0.04 -0.77 1.08 -1.59 -0.76 0.00 0.00 175.35 173.27 1t23 s LYS 86 N 3.44 2.97 -0.21 1.68 0.00 -1.26 -0.89 119.74 125.47 1t23 s LYS 86 Ca 0.45 1.20 -0.27 0.00 0.00 0.00 0.00 55.97 57.34 1t23 s LYS 86 Cb -0.14 -1.99 0.09 0.00 0.00 0.00 0.00 37.83 35.80 1t23 s LYS 86 CO 0.11 -1.09 0.83 -1.21 0.00 0.00 0.00 175.35 173.99 1t23 s GLU 87 N -4.39 0.77 -0.14 1.78 2.02 -0.41 -4.83 118.70 113.49 1t23 s GLU 87 Ca 0.63 0.60 -0.34 0.00 0.02 0.00 0.00 54.97 55.89 1t23 s GLU 87 Cb -0.17 0.37 -0.11 0.00 0.10 0.00 0.00 34.13 34.32 1t23 s GLU 87 CO 0.44 -0.15 1.97 0.54 0.02 0.00 0.00 175.26 178.07 1t23 n ARG 88 N 1.88 1.99 -2.71 1.61 3.00 -1.26 -3.86 116.66 117.31 1t23 n ARG 88 Ca -0.14 0.70 -0.43 0.00 -0.01 0.00 0.00 57.85 57.97 1t23 n ARG 88 Cb 0.56 -2.68 -0.03 0.00 0.00 0.00 0.00 32.46 30.30 1t23 n ARG 88 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.63 178.05 1t23 s ILE 89 N 5.03 4.20 -0.19 0.55 1.01 -1.26 -4.29 121.20 126.26 1t23 s ILE 89 Ca 0.96 0.61 -0.25 0.00 0.00 0.00 0.00 60.65 61.97 1t23 s ILE 89 Cb -0.68 -4.63 -0.01 0.00 0.01 0.00 0.00 42.46 37.15 1t23 s ILE 89 CO 0.50 -1.22 0.83 -1.61 0.00 0.00 0.00 174.94 173.44 1t23 s GLU 90 N 4.45 4.27 0.33 2.79 8.01 0.99 -4.86 118.70 134.68 1t23 s GLU 90 Ca 0.37 1.00 0.07 0.00 0.01 0.00 0.00 54.97 56.42 1t23 s GLU 90 Cb -0.10 -3.59 -0.03 0.00 -4.31 0.00 0.00 34.13 26.10 1t23 s GLU 90 CO 0.23 -0.37 0.29 1.63 0.01 0.00 0.00 175.26 177.04 1t23 n LYS 91 N 5.42 0.42 -1.17 1.61 5.02 -1.26 0.80 118.16 129.00 1t23 n LYS 91 Ca 0.05 -3.30 -0.20 0.00 -2.02 0.00 0.00 58.31 52.84 1t23 n LYS 91 Cb 0.48 2.73 0.14 0.00 -0.02 0.00 0.00 35.03 38.37 1t23 n LYS 91 CO 0.00 0.00 0.00 1.47 -0.52 0.00 0.00 177.40 178.35 1t23 n LEU 92 N 0.00 0.00 -0.66 -0.35 -0.00 1.10 -4.80 117.00 112.29 1t23 n LEU 92 Ca 0.07 -0.95 0.13 0.00 -0.00 0.00 0.00 56.01 55.27 1t23 n LEU 92 Cb 0.60 -0.69 0.36 0.00 -0.00 0.00 0.00 43.42 43.70 1t23 n LEU 92 CO 0.31 -1.26 0.78 1.21 -0.00 0.00 0.00 177.39 178.43