#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 1.51 -0.44 -3.46 3.84 -1.26 -5.11 114.94 110.02 1t23 s ASN 2 Ca 0.00 -0.42 -0.25 0.00 0.21 0.00 0.00 52.86 52.41 1t23 s ASN 2 Cb 0.00 0.43 0.02 0.00 -0.55 0.00 0.00 41.25 41.16 1t23 s ASN 2 CO 0.00 -0.35 0.87 0.42 -2.79 0.00 0.00 177.10 175.25 1t23 s THR 3 N 2.34 4.56 -0.16 -5.21 -4.23 -1.26 -4.64 115.64 107.03 1t23 s THR 3 Ca 0.08 0.69 -0.29 0.00 -1.18 0.00 0.00 61.69 60.99 1t23 s THR 3 Cb -0.15 -4.37 -0.01 0.00 1.34 0.00 0.00 72.50 69.31 1t23 s THR 3 CO -0.20 -0.74 1.10 -0.13 -0.54 0.00 0.00 174.62 174.10 1t23 s ARG 4 N 3.53 4.31 0.32 3.99 0.52 -1.22 -4.73 118.95 125.67 1t23 s ARG 4 Ca 0.34 1.47 -0.27 0.00 -0.52 0.00 0.00 55.73 56.76 1t23 s ARG 4 Cb -0.11 -3.63 -0.09 0.00 0.52 0.00 0.00 34.95 31.63 1t23 s ARG 4 CO 0.24 -0.55 1.01 1.21 0.02 0.00 0.00 175.30 177.24 1t23 s ASN 5 N 1.37 7.19 0.02 0.23 2.47 -1.26 0.48 114.94 125.44 1t23 s ASN 5 Ca 0.49 2.02 0.01 0.00 0.42 0.00 0.00 52.86 55.79 1t23 s ASN 5 Cb -0.18 -2.60 -0.02 0.00 -1.45 0.00 0.00 41.25 37.00 1t23 s ASN 5 CO 0.13 -0.18 -0.04 -0.36 -3.72 0.00 0.00 177.10 172.93 1t23 s PHE 6 N -1.46 0.33 -0.01 0.43 0.08 0.99 -4.54 117.98 113.79 1t23 s PHE 6 Ca 0.50 -0.46 0.06 0.00 0.12 0.00 0.00 56.93 57.15 1t23 s PHE 6 Cb -0.24 -0.22 -0.01 0.00 -0.57 0.00 0.00 43.02 41.97 1t23 s PHE 6 CO 0.30 -0.14 -0.18 0.14 -0.10 0.00 0.00 175.22 175.24 1t23 s VAL 7 N -1.26 1.44 0.21 -0.44 -7.23 0.29 -2.87 120.40 110.54 1t23 s VAL 7 Ca -0.13 -0.78 -0.23 0.00 -1.81 0.00 0.00 61.98 59.04 1t23 s VAL 7 Cb -0.09 -1.20 0.04 0.00 0.56 0.00 0.00 36.38 35.70 1t23 s VAL 7 CO -0.01 0.40 0.76 -1.48 -0.31 0.00 0.00 175.10 174.47 1t23 s LEU 8 N -0.43 -0.31 -0.22 1.32 2.34 -0.57 -3.62 118.68 117.19 1t23 s LEU 8 Ca 0.07 -0.41 -0.03 0.00 0.06 0.00 0.00 54.13 53.83 1t23 s LEU 8 Cb -0.07 2.53 0.07 0.00 -0.56 0.00 0.00 46.19 48.16 1t23 s LEU 8 CO -0.01 -1.13 0.05 -0.60 -1.06 0.00 0.00 176.35 173.61 1t23 s ARG 9 N -3.70 0.60 0.00 1.48 3.52 0.64 -3.52 118.95 117.98 1t23 s ARG 9 Ca 0.09 -0.51 0.00 0.00 -0.13 0.00 0.00 55.73 55.18 1t23 s ARG 9 Cb -0.04 -2.02 0.00 0.00 -1.56 0.00 0.00 34.95 31.33 1t23 s ARG 9 CO 0.01 -0.72 0.00 -3.47 -0.81 0.00 0.00 175.30 170.31 1t23 n ASP 10 N 5.05 0.00 -2.09 -2.12 2.03 -0.72 0.36 116.55 119.05 1t23 n ASP 10 Ca -0.08 0.00 -0.08 0.00 0.52 0.00 0.00 54.79 55.15 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 -3.08 -0.86 -0.67 1.02 0.86 -2.77 120.64 115.13 1t23 n GLU 11 Ca 0.00 0.39 0.00 0.00 -0.02 0.00 0.00 57.16 57.53 1t23 n GLU 11 Cb 0.00 -4.03 0.00 0.00 -0.02 0.00 0.00 31.44 27.39 1t23 n GLU 11 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1t23 n ASP 12 N -1.82 -4.68 0.00 1.62 8.00 -0.85 -4.83 116.55 113.99 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 -3.14 0.00 0.00 -0.02 0.00 0.00 41.12 38.53 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 0.49 0.36 0.12 0.44 0.00 -1.12 -4.75 105.19 100.74 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 -1.40 0.00 -3.65 1.61 5.03 1.11 -4.52 115.26 113.44 1t23 n ASN 14 Ca 0.00 0.00 -0.04 0.00 0.87 0.00 0.00 54.58 55.41 1t23 n ASN 14 Cb 0.00 -0.00 -0.07 0.00 -1.02 0.00 0.00 39.78 38.69 1t23 n ASN 14 CO 0.00 0.00 0.00 -0.70 -1.83 0.00 0.00 177.26 174.73 1t23 s GLU 15 N -0.13 0.13 -0.20 3.52 2.56 0.22 -2.54 118.70 122.26 1t23 s GLU 15 Ca 0.00 0.14 -0.23 0.00 0.00 0.00 0.00 54.97 54.89 1t23 s GLU 15 Cb 0.00 0.06 -0.02 0.00 2.00 0.00 0.00 34.13 36.17 1t23 s GLU 15 CO 0.00 -0.02 0.71 -3.38 -0.56 0.00 0.00 175.26 172.02 1t23 s HIS 16 N -0.00 3.37 -0.30 5.30 -3.43 -1.26 0.24 115.29 119.20 1t23 s HIS 16 Ca 0.07 1.04 -0.19 0.00 -0.80 0.00 0.00 55.06 55.18 1t23 s HIS 16 Cb -0.05 -2.90 0.19 0.00 -1.43 0.00 0.00 32.58 28.39 1t23 s HIS 16 CO -0.14 -0.24 1.24 0.20 -2.00 0.00 0.00 174.74 173.80 1t23 s GLY 17 N 1.24 0.21 -0.42 -1.38 0.00 -1.23 -3.68 107.32 102.05 1t23 s GLY 17 Ca 0.32 3.56 0.03 0.00 0.00 0.00 0.00 44.72 48.63 1t23 s GLY 17 CO 0.10 3.36 0.32 0.14 0.00 0.00 0.00 173.10 177.02 1t23 s VAL 18 N 2.11 0.54 0.02 1.40 1.01 -1.26 -1.52 120.40 122.70 1t23 s VAL 18 Ca -0.00 -2.57 -0.09 0.00 0.00 0.00 0.00 61.98 59.32 1t23 s VAL 18 Cb -0.02 -1.39 0.03 0.00 0.00 0.00 0.00 36.38 35.01 1t23 s VAL 18 CO -0.16 -1.15 0.42 2.22 0.00 0.00 0.00 175.10 176.42 1t23 n PHE 19 N 3.07 -0.43 -3.97 5.22 1.16 -1.14 -5.01 117.46 116.36 1t23 n PHE 19 Ca 0.24 -0.31 -0.30 0.00 -1.87 0.00 0.00 57.45 55.21 1t23 n PHE 19 Cb 0.44 0.14 -0.05 0.00 -1.61 0.00 0.00 39.48 38.40 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 -2.20 5.05 -0.10 1.97 -4.23 -1.26 -0.01 115.64 114.86 1t23 s THR 20 Ca 0.10 -0.57 -0.00 0.00 -1.18 0.00 0.00 61.69 60.03 1t23 s THR 20 Cb -0.00 -3.47 0.02 0.00 1.34 0.00 0.00 72.50 70.39 1t23 s THR 20 CO 0.00 0.11 -0.07 -0.83 -0.54 0.00 0.00 174.62 173.29 1t23 s GLY 21 N -2.55 0.77 0.22 3.99 0.00 0.18 -4.81 107.32 105.12 1t23 s GLY 21 Ca 0.33 -0.47 -0.08 0.00 0.00 0.00 0.00 44.72 44.50 1t23 s GLY 21 CO 0.26 0.76 1.75 0.50 0.00 0.00 0.00 173.10 176.37 1t23 h LYS 22 N 8.04 0.45 -5.97 2.90 1.57 -1.84 -3.22 116.57 118.50 1t23 h LYS 22 Ca -0.29 -0.03 -0.69 0.00 -1.87 0.00 0.00 60.65 57.78 1t23 h LYS 22 Cb 1.14 -0.10 -0.29 0.00 0.08 0.00 0.00 32.23 33.05 1t23 h LYS 22 CO 0.40 0.30 -0.85 -0.65 -0.57 0.00 0.00 179.45 178.08 1t23 s GLN 23 N -6.07 2.67 0.06 3.15 -0.21 -1.26 -4.75 119.66 113.25 1t23 s GLN 23 Ca -0.13 -0.83 -0.19 0.00 0.02 0.00 0.00 55.36 54.23 1t23 s GLN 23 Cb 0.18 -2.27 -0.12 0.00 1.00 0.00 0.00 33.01 31.80 1t23 s GLN 23 CO 0.75 0.40 1.39 -1.00 -2.12 0.00 0.00 175.29 174.71 1t23 h PRO 24 N 6.02 0.46 0.00 2.91 0.13 -1.95 -2.85 132.00 136.72 1t23 h PRO 24 Ca -0.34 -0.23 0.00 0.00 -0.87 0.00 0.00 66.00 64.57 1t23 h PRO 24 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1t23 h PRO 24 CO 0.49 0.79 -0.06 0.00 -0.23 0.00 0.00 178.00 178.99 1t23 h ARG 25 N 0.14 0.00 -0.82 0.86 3.08 -1.96 -3.11 114.38 112.57 1t23 h ARG 25 Ca 0.04 0.00 0.20 0.00 0.07 0.00 0.00 59.98 60.29 1t23 h ARG 25 Cb 0.69 0.00 -0.13 0.00 0.08 0.00 0.00 29.97 30.61 1t23 h ARG 25 CO 0.04 0.00 0.20 0.37 -1.07 0.00 0.00 179.97 179.52 1t23 h GLN 26 N -0.51 0.23 0.00 0.04 4.15 -1.64 0.57 115.11 117.95 1t23 h GLN 26 Ca 0.00 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.41 1t23 h GLN 26 Cb 0.06 -0.05 0.00 0.00 0.21 0.00 0.00 27.48 27.70 1t23 h GLN 26 CO 0.00 0.15 0.00 0.00 -1.93 0.00 0.00 178.83 177.05 1t23 h ALA 27 N 1.71 1.00 0.10 3.38 0.00 -1.68 -3.29 119.26 120.49 1t23 h ALA 27 Ca 0.49 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.40 1t23 h ALA 27 Cb 0.93 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.72 1t23 h ALA 27 CO -0.60 0.00 -0.05 0.00 0.00 0.00 0.00 179.25 178.60 1t23 h ALA 28 N 2.15 -0.14 0.10 0.00 0.00 0.23 -0.05 119.26 121.55 1t23 h ALA 28 Ca 0.00 -0.25 0.02 0.00 0.00 0.00 0.00 54.91 54.68 1t23 h ALA 28 Cb 0.60 0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.39 1t23 h ALA 28 CO 0.00 -0.28 -0.41 -0.07 0.00 0.00 0.00 179.25 178.49 1t23 h LEU 29 N -0.74 -1.20 -0.75 0.00 -0.00 -1.58 -2.64 115.31 108.40 1t23 h LEU 29 Ca -0.01 0.14 -0.13 0.00 -0.00 0.00 0.00 57.88 57.88 1t23 h LEU 29 Cb 0.55 0.46 -0.01 0.00 -0.00 0.00 0.00 40.66 41.66 1t23 h LEU 29 CO 0.02 -0.47 -0.44 0.11 -0.00 0.00 0.00 178.44 177.66 1t23 h LYS 30 N -0.63 0.42 -0.66 1.13 1.57 -1.68 -3.27 116.57 113.46 1t23 h LYS 30 Ca 0.03 -0.22 0.02 0.00 -1.87 0.00 0.00 60.65 58.61 1t23 h LYS 30 Cb 0.66 0.01 -0.04 0.00 0.08 0.00 0.00 32.23 32.94 1t23 h LYS 30 CO -0.25 0.78 0.42 0.00 -0.57 0.00 0.00 179.45 179.83 1t23 h ALA 31 N 1.19 0.85 -0.18 3.86 0.00 -0.68 -2.14 119.26 122.16 1t23 h ALA 31 Ca 0.03 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.84 1t23 h ALA 31 Cb 0.91 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 1t23 h ALA 31 CO 0.08 0.22 -0.18 0.00 0.00 0.00 0.00 179.25 179.37 1t23 h ALA 32 N 1.26 1.36 -1.00 0.00 0.00 -1.53 -0.40 119.26 118.96 1t23 h ALA 32 Ca 0.25 -0.26 0.20 0.00 0.00 0.00 0.00 54.91 55.10 1t23 h ALA 32 Cb -0.04 -0.10 -0.19 0.00 0.00 0.00 0.00 17.79 17.46 1t23 h ALA 32 CO -0.08 0.43 -0.25 -0.97 0.00 0.00 0.00 179.25 178.38 1t23 h ASN 33 N 0.28 -0.93 0.00 0.00 -1.24 -1.44 -3.24 115.58 109.01 1t23 h ASN 33 Ca 0.05 0.30 0.00 0.00 0.71 0.00 0.00 56.30 57.36 1t23 h ASN 33 Cb 0.48 0.62 0.00 0.00 0.73 0.00 0.00 38.32 40.15 1t23 h ASN 33 CO 0.03 -0.33 0.00 0.54 -1.29 0.00 0.00 177.43 176.38 1t23 n ARG 34 N -5.63 0.00 0.00 6.67 1.74 -1.07 -4.90 116.66 113.47 1t23 n ARG 34 Ca 0.16 0.07 0.04 0.00 -0.77 0.00 0.00 57.85 57.35 1t23 n ARG 34 Cb 0.50 -0.40 0.03 0.00 -1.02 0.00 0.00 32.46 31.58 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 2.05 -0.68 0.43 -0.13 0.00 -0.97 -4.64 105.19 101.24 1t23 n GLY 35 Ca 0.00 -0.22 0.10 0.00 0.00 0.00 0.00 46.02 45.90 1t23 n GLY 35 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1t23 n SER 36 N 0.43 1.30 -3.41 1.61 7.64 -0.20 -4.38 113.62 116.61 1t23 n SER 36 Ca 0.05 -1.63 0.02 0.00 1.01 0.00 0.00 58.87 58.31 1t23 n SER 36 Cb 0.19 -0.08 -0.03 0.00 -1.01 0.00 0.00 64.21 63.28 1t23 n SER 36 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1t23 s GLY 37 N -1.60 -0.44 0.33 0.23 0.00 -1.23 -4.12 107.32 100.50 1t23 s GLY 37 Ca 0.32 2.69 0.25 0.00 0.00 0.00 0.00 44.72 47.98 1t23 s GLY 37 CO 0.26 3.28 1.72 -0.84 0.00 0.00 0.00 173.10 177.52 1t23 h THR 38 N 5.67 0.00 0.00 0.90 2.02 -1.81 -3.46 112.91 116.23 1t23 h THR 38 Ca -0.17 -0.67 0.00 0.00 0.77 0.00 0.00 66.41 66.35 1t23 h THR 38 Cb 1.12 1.64 0.00 0.00 -1.74 0.00 0.00 68.15 69.18 1t23 h THR 38 CO 0.09 0.00 0.00 1.17 0.37 0.00 0.00 175.52 177.15 1t23 n LYS 39 N -2.66 0.00 0.28 6.66 4.81 -1.26 -4.02 118.16 121.97 1t23 n LYS 39 Ca 0.04 0.00 0.18 0.00 -0.87 0.00 0.00 58.31 57.66 1t23 n LYS 39 Cb 0.44 0.00 0.82 0.00 0.02 0.00 0.00 35.03 36.31 1t23 n LYS 39 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1t23 h ALA 40 N 0.00 1.00 0.00 3.14 0.00 -1.99 -3.35 119.26 118.06 1t23 h ALA 40 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 54.91 54.69 1t23 h ALA 40 Cb 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 17.79 17.65 1t23 h ALA 40 CO 0.00 0.00 -0.47 -1.71 0.00 0.00 0.00 179.25 177.07 1t23 n ASN 41 N -2.98 -2.78 -3.50 0.00 4.05 -1.26 -4.91 115.26 103.88 1t23 n ASN 41 Ca -0.00 -3.37 -0.17 0.00 0.45 0.00 0.00 54.58 51.49 1t23 n ASN 41 Cb 0.22 1.84 -0.03 0.00 1.23 0.00 0.00 39.78 43.05 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 1.40 1.24 -2.41 1.20 -0.04 -1.26 0.30 135.00 135.43 1t23 n PRO 42 Ca 0.08 -1.99 -0.01 0.00 -0.04 0.00 0.00 63.50 61.54 1t23 n PRO 42 Cb 0.64 0.44 0.01 0.00 -0.04 0.00 0.00 33.50 34.55 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 -1.39 -0.70 -4.74 3.54 2.03 -1.05 -2.86 116.55 111.38 1t23 n ASP 43 Ca -0.08 -1.37 -0.40 0.00 0.52 0.00 0.00 54.79 53.45 1t23 n ASP 43 Cb 0.35 1.14 -0.05 0.00 -0.72 0.00 0.00 41.12 41.84 1t23 n ASP 43 CO 0.00 0.00 0.00 0.27 -1.92 0.00 0.00 177.20 175.55 1t23 s ILE 44 N -2.37 4.45 -0.11 5.18 -5.25 -1.16 -3.48 121.20 118.47 1t23 s ILE 44 Ca 0.09 1.94 -0.10 0.00 -0.99 0.00 0.00 60.65 61.59 1t23 s ILE 44 Cb -0.01 -4.26 0.03 0.00 2.95 0.00 0.00 42.46 41.17 1t23 s ILE 44 CO 0.02 0.39 0.29 -0.51 -1.79 0.00 0.00 174.94 173.34 1t23 s ILE 45 N -0.38 -0.00 -0.79 8.37 1.10 -0.08 -4.40 121.20 125.02 1t23 s ILE 45 Ca 0.43 0.01 -0.21 0.00 -0.51 0.00 0.00 60.65 60.37 1t23 s ILE 45 Cb -0.23 -0.41 0.10 0.00 0.15 0.00 0.00 42.46 42.07 1t23 s ILE 45 CO 0.28 0.00 1.04 -0.13 -2.11 0.00 0.00 174.94 174.03 1t23 s ARG 46 N 0.20 3.34 -0.77 3.50 0.52 -1.26 -2.36 118.95 122.12 1t23 s ARG 46 Ca -0.00 -1.27 -0.25 0.00 -0.52 0.00 0.00 55.73 53.68 1t23 s ARG 46 Cb -0.02 -4.57 -0.07 0.00 0.52 0.00 0.00 34.95 30.81 1t23 s ARG 46 CO -0.00 -1.80 2.09 -1.17 0.02 0.00 0.00 175.30 174.44 1t23 s LEU 47 N 3.43 3.15 0.00 2.53 2.96 0.54 -4.64 118.68 126.64 1t23 s LEU 47 Ca 0.27 -0.11 0.00 0.00 -0.22 0.00 0.00 54.13 54.07 1t23 s LEU 47 Cb -0.11 -2.54 0.00 0.00 0.50 0.00 0.00 46.19 44.03 1t23 s LEU 47 CO 0.01 -2.95 0.00 -2.11 -1.32 0.00 0.00 176.35 169.97 1t23 n ARG 48 N 8.93 2.06 -3.59 1.98 -4.01 -1.24 0.66 116.66 121.46 1t23 n ARG 48 Ca 0.37 0.00 -0.00 0.00 -1.04 0.00 0.00 57.85 57.18 1t23 n ARG 48 Cb 0.48 0.00 -0.04 0.00 -3.04 0.00 0.00 32.46 29.86 1t23 n ARG 48 CO 0.00 0.00 0.00 -2.00 -3.04 0.00 0.00 177.63 172.59 1t23 s GLU 49 N -1.68 0.57 0.55 2.89 2.56 -0.91 0.11 118.70 122.80 1t23 s GLU 49 Ca 0.00 1.40 -0.18 0.00 0.00 0.00 0.00 54.97 56.19 1t23 s GLU 49 Cb 0.00 0.84 -0.05 0.00 2.00 0.00 0.00 34.13 36.91 1t23 s GLU 49 CO 0.00 -0.24 1.07 1.03 -0.56 0.00 0.00 175.26 176.55 1t23 s ARG 50 N 2.89 3.45 0.00 4.30 0.52 -1.16 -3.51 118.95 125.44 1t23 s ARG 50 Ca -0.03 1.34 0.00 0.00 -0.52 0.00 0.00 55.73 56.52 1t23 s ARG 50 Cb -0.12 -2.04 0.00 0.00 0.52 0.00 0.00 34.95 33.31 1t23 s ARG 50 CO -0.19 -0.72 0.00 0.41 0.02 0.00 0.00 175.30 174.82 1t23 n GLY 51 N -0.50 3.09 3.19 -3.53 0.00 -1.26 -5.00 105.19 101.19 1t23 n GLY 51 Ca 0.10 -0.92 -0.26 0.00 0.00 0.00 0.00 46.02 44.94 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 -0.46 1.49 -0.82 2.61 -4.23 -1.23 -5.05 115.64 107.96 1t23 s THR 52 Ca 0.00 -0.84 -0.25 0.00 -1.18 0.00 0.00 61.69 59.42 1t23 s THR 52 Cb 0.00 -1.25 -0.09 0.00 1.34 0.00 0.00 72.50 72.50 1t23 s THR 52 CO 0.00 0.40 2.19 -1.59 -0.54 0.00 0.00 174.62 175.08 1t23 s LYS 53 N -0.51 2.06 -0.05 3.99 -2.85 -1.26 -4.49 119.74 116.63 1t23 s LYS 53 Ca 0.07 0.21 -0.01 0.00 -1.00 0.00 0.00 55.97 55.25 1t23 s LYS 53 Cb -0.07 -4.87 0.03 0.00 -2.06 0.00 0.00 37.83 30.85 1t23 s LYS 53 CO -0.00 -3.88 0.01 0.15 0.10 0.00 0.00 175.35 171.72 1t23 s LYS 54 N 8.00 0.40 -0.33 1.78 1.02 -0.52 -2.75 119.74 127.34 1t23 s LYS 54 Ca 0.82 0.13 0.04 0.00 0.02 0.00 0.00 55.97 56.98 1t23 s LYS 54 Cb -0.10 -0.72 0.17 0.00 -0.52 0.00 0.00 37.83 36.65 1t23 s LYS 54 CO 0.06 -0.24 0.47 0.08 -0.92 0.00 0.00 175.35 174.80 1t23 s VAL 55 N 1.62 -0.69 0.04 3.17 1.01 -0.48 -2.14 120.40 122.93 1t23 s VAL 55 Ca -0.01 -0.34 -0.21 0.00 0.00 0.00 0.00 61.98 61.42 1t23 s VAL 55 Cb -0.13 -0.76 -0.06 0.00 0.00 0.00 0.00 36.38 35.44 1t23 s VAL 55 CO -0.03 -0.26 0.61 -2.28 0.00 0.00 0.00 175.10 173.14 1t23 s HIS 56 N 2.24 3.75 -0.23 5.22 5.04 0.21 0.12 115.29 131.64 1t23 s HIS 56 Ca 0.12 1.27 -0.01 0.00 -1.54 0.00 0.00 55.06 54.91 1t23 s HIS 56 Cb -0.11 -2.59 0.03 0.00 0.04 0.00 0.00 32.58 29.94 1t23 s HIS 56 CO -0.20 0.45 -0.10 0.08 -2.34 0.00 0.00 174.74 172.62 1t23 s VAL 57 N -0.59 2.61 0.33 0.89 1.01 -1.24 0.20 120.40 123.61 1t23 s VAL 57 Ca 0.31 -1.04 -0.15 0.00 0.00 0.00 0.00 61.98 61.09 1t23 s VAL 57 Cb -0.19 -2.29 0.03 0.00 0.00 0.00 0.00 36.38 33.93 1t23 s VAL 57 CO 0.19 0.27 0.69 -0.36 0.00 0.00 0.00 175.10 175.89 1t23 s PHE 58 N 1.30 0.17 -0.06 5.22 0.08 -0.99 0.69 117.98 124.38 1t23 s PHE 58 Ca 0.01 -0.69 0.01 0.00 0.12 0.00 0.00 56.93 56.38 1t23 s PHE 58 Cb -0.16 0.61 0.02 0.00 -0.57 0.00 0.00 43.02 42.92 1t23 s PHE 58 CO -0.07 -1.35 -0.07 0.15 -0.10 0.00 0.00 175.22 173.79 1t23 s LYS 59 N -3.11 1.18 -0.29 0.44 1.02 -0.61 -0.91 119.74 117.46 1t23 s LYS 59 Ca 0.17 -0.20 -0.01 0.00 0.02 0.00 0.00 55.97 55.95 1t23 s LYS 59 Cb -0.04 -1.14 0.05 0.00 -0.52 0.00 0.00 37.83 36.18 1t23 s LYS 59 CO 0.11 -0.10 -0.02 0.00 -0.92 0.00 0.00 175.35 174.42 1t23 s ALA 60 N 1.06 2.76 0.00 5.17 0.00 -1.23 -1.43 121.76 128.09 1t23 s ALA 60 Ca -0.08 -1.74 0.00 0.00 0.00 0.00 0.00 51.96 50.14 1t23 s ALA 60 Cb -0.14 -1.86 0.00 0.00 0.00 0.00 0.00 23.12 21.12 1t23 s ALA 60 CO -0.01 -1.23 0.00 0.91 0.00 0.00 0.00 175.76 175.43 1t23 n TRP 61 N 4.59 0.00 -3.86 0.00 8.01 -0.73 -4.22 117.44 121.23 1t23 n TRP 61 Ca -0.14 0.00 -0.29 0.00 -1.31 0.00 0.00 57.50 55.76 1t23 n TRP 61 Cb 0.43 0.00 -0.13 0.00 -2.01 0.00 0.00 31.31 29.60 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 -1.16 1.82 0.19 -0.99 2.20 -1.26 0.18 119.74 120.71 1t23 s LYS 62 Ca 0.00 -2.54 -0.23 0.00 -0.36 0.00 0.00 55.97 52.83 1t23 s LYS 62 Cb 0.00 -2.99 0.06 0.00 -1.51 0.00 0.00 37.83 33.39 1t23 s LYS 62 CO 0.00 -1.16 0.95 -1.21 -0.36 0.00 0.00 175.35 173.57 1t23 s GLU 63 N -0.28 1.34 -0.62 4.03 2.02 0.64 -4.82 118.70 121.00 1t23 s GLU 63 Ca 0.19 -0.78 -0.27 0.00 0.02 0.00 0.00 54.97 54.13 1t23 s GLU 63 Cb -0.21 0.43 -0.00 0.00 0.10 0.00 0.00 34.13 34.45 1t23 s GLU 63 CO -0.03 -0.62 1.62 -1.50 0.02 0.00 0.00 175.26 174.75 1t23 s ILE 64 N -3.05 3.54 0.00 -1.63 2.07 -1.25 -2.18 121.20 118.70 1t23 s ILE 64 Ca 0.14 0.36 0.00 0.00 -1.41 0.00 0.00 60.65 59.74 1t23 s ILE 64 Cb -0.02 -4.28 0.00 0.00 0.13 0.00 0.00 42.46 38.29 1t23 s ILE 64 CO 0.04 -1.18 0.00 1.33 -1.91 0.00 0.00 174.94 173.21 1t23 n VAL 65 N 6.94 0.00 -4.82 4.00 0.24 -0.88 -4.81 118.33 119.00 1t23 n VAL 65 Ca 0.14 0.00 -0.28 0.00 -2.04 0.00 0.00 64.34 62.16 1t23 n VAL 65 Cb 0.50 -1.59 -0.17 0.00 -1.47 0.00 0.00 33.84 31.12 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 2.45 -0.56 -1.34 -1.08 0.61 -2.23 116.67 113.51 1t23 s ASP 66 Ca 0.00 -0.43 -0.26 0.00 -0.52 0.00 0.00 52.55 51.34 1t23 s ASP 66 Cb 0.00 -1.12 -0.05 0.00 -1.46 0.00 0.00 42.92 40.29 1t23 s ASP 66 CO 0.00 0.08 2.18 0.00 0.52 0.00 0.00 175.17 177.95 1t23 s ALA 67 N 0.59 1.80 0.56 3.66 0.00 -0.72 -4.27 121.76 123.38 1t23 s ALA 67 Ca -0.15 -0.33 0.00 0.00 0.00 0.00 0.00 51.96 51.48 1t23 s ALA 67 Cb -0.17 -4.35 0.00 0.00 0.00 0.00 0.00 23.12 18.61 1t23 s ALA 67 CO 0.05 -4.32 0.00 -0.35 0.00 0.00 0.00 175.76 171.14 1t23 n PRO 68 N 9.07 1.84 -0.87 0.00 -0.04 -1.26 -4.67 135.00 139.07 1t23 n PRO 68 Ca 0.31 0.00 -0.31 0.00 -0.04 0.00 0.00 63.50 63.46 1t23 n PRO 68 Cb 0.53 0.00 -0.04 0.00 -0.04 0.00 0.00 33.50 33.96 1t23 n PRO 68 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1t23 n LYS 69 N -0.03 1.68 -0.00 0.54 5.02 -1.26 -4.24 118.16 119.87 1t23 n LYS 69 Ca 0.00 -1.57 0.09 0.00 -2.02 0.00 0.00 58.31 54.82 1t23 n LYS 69 Cb 0.00 -2.63 -0.12 0.00 -0.02 0.00 0.00 35.03 32.26 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 5.77 0.81 -3.53 4.39 3.02 -1.26 -5.00 115.26 119.46 1t23 n ASN 70 Ca 0.44 -0.71 -0.21 0.00 -0.03 0.00 0.00 54.58 54.07 1t23 n ASN 70 Cb 0.25 1.21 0.08 0.00 -0.61 0.00 0.00 39.78 40.71 1t23 n ASN 70 CO 0.00 0.00 0.00 -2.11 -2.62 0.00 0.00 177.26 172.53 1t23 n ARG 71 N -1.62 -7.30 -3.04 3.52 1.85 -1.26 -2.28 116.66 106.54 1t23 n ARG 71 Ca 0.02 0.83 -0.44 0.00 -1.00 0.00 0.00 57.85 57.26 1t23 n ARG 71 Cb 0.34 -5.86 -0.04 0.00 -1.05 0.00 0.00 32.46 25.85 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 -5.88 3.07 0.02 2.89 0.04 -1.26 -4.61 135.00 129.26 1t23 s PRO 72 Ca 0.31 -1.20 0.01 0.00 0.04 0.00 0.00 61.00 60.16 1t23 s PRO 72 Cb -0.14 -4.26 -0.26 0.00 0.04 0.00 0.00 34.50 29.88 1t23 s PRO 72 CO 0.73 -1.62 0.91 0.00 0.04 0.00 0.00 177.00 177.06 1t23 h ALA 73 N 9.29 0.34 0.03 8.56 0.00 -1.96 -3.31 119.26 132.21 1t23 h ALA 73 Ca -0.29 -1.11 -0.24 0.00 0.00 0.00 0.00 54.91 53.27 1t23 h ALA 73 Cb 1.08 0.22 -0.02 0.00 0.00 0.00 0.00 17.79 19.07 1t23 h ALA 73 CO 1.12 1.21 -1.17 -1.49 0.00 0.00 0.00 179.25 178.92 1t23 h TRP 74 N 0.05 0.13 -0.79 0.00 4.06 -1.99 -3.45 115.95 113.97 1t23 h TRP 74 Ca -0.21 -0.10 0.14 0.00 2.06 0.00 0.00 58.89 60.79 1t23 h TRP 74 Cb 1.97 -0.01 -0.21 0.00 -1.00 0.00 0.00 29.16 29.92 1t23 h TRP 74 CO 0.04 1.09 -0.12 1.41 -3.56 0.00 0.00 178.44 177.30 1t23 s MET 75 N -2.68 0.44 0.91 0.49 1.75 -1.26 -5.17 119.30 113.77 1t23 s MET 75 Ca -0.01 0.78 -0.15 0.00 -1.25 0.00 0.00 55.69 55.05 1t23 s MET 75 Cb 0.09 0.44 0.21 0.00 2.84 0.00 0.00 34.83 38.41 1t23 s MET 75 CO 0.84 -0.46 1.20 -0.35 -0.65 0.00 0.00 175.02 175.59 1t23 n PRO 76 N 5.44 -1.31 -0.13 4.11 -0.04 -1.25 -4.72 135.00 137.10 1t23 n PRO 76 Ca -0.03 -1.85 0.09 0.00 -0.04 0.00 0.00 63.50 61.66 1t23 n PRO 76 Cb 0.52 -1.27 0.29 0.00 -0.04 0.00 0.00 33.50 33.00 1t23 n PRO 76 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 1t23 n GLU 77 N -3.64 1.81 -2.89 0.54 2.13 -1.26 -4.54 120.64 112.80 1t23 n GLU 77 Ca 0.15 -1.24 -0.44 0.00 0.66 0.00 0.00 57.16 56.29 1t23 n GLU 77 Cb 0.53 -1.36 0.00 0.00 0.27 0.00 0.00 31.44 30.88 1t23 n GLU 77 CO 0.00 0.00 0.00 1.17 -0.41 0.00 0.00 177.13 177.89 1t23 n LYS 78 N 0.48 3.55 -3.52 5.31 3.00 -1.26 -0.28 118.16 125.43 1t23 n LYS 78 Ca 0.15 -3.95 -0.08 0.00 -0.00 0.00 0.00 58.31 54.43 1t23 n LYS 78 Cb 0.33 -2.89 -0.02 0.00 0.00 0.00 0.00 35.03 32.45 1t23 n LYS 78 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.40 178.36 1t23 s ILE 79 N 0.44 0.00 -0.62 3.15 -0.00 -0.95 -4.76 121.20 118.47 1t23 s ILE 79 Ca 0.39 0.00 -0.28 0.00 -0.00 0.00 0.00 60.65 60.77 1t23 s ILE 79 Cb -0.01 -1.00 0.02 0.00 -0.00 0.00 0.00 42.46 41.47 1t23 s ILE 79 CO -0.00 0.00 1.40 -0.44 -0.00 0.00 0.00 174.94 175.89 1t23 s SER 80 N -2.26 6.09 0.00 4.36 0.01 -1.26 -2.07 113.70 118.57 1t23 s SER 80 Ca 0.04 0.07 0.00 0.00 1.31 0.00 0.00 55.95 57.38 1t23 s SER 80 Cb -0.01 -2.55 0.00 0.00 0.21 0.00 0.00 66.02 63.67 1t23 s SER 80 CO -0.07 -1.78 0.00 1.17 0.41 0.00 0.00 173.24 172.97 1t23 n LYS 81 N 8.88 0.00 -2.10 12.44 4.81 -0.93 -4.78 118.16 136.49 1t23 n LYS 81 Ca 0.10 0.00 -0.42 0.00 -0.87 0.00 0.00 58.31 57.12 1t23 n LYS 81 Cb 0.49 0.00 -0.03 0.00 0.02 0.00 0.00 35.03 35.52 1t23 n LYS 81 CO 0.00 0.00 0.00 -1.25 1.17 0.00 0.00 177.40 177.32 1t23 s PRO 82 N 1.78 4.23 0.85 1.64 0.04 -1.25 0.23 135.00 142.53 1t23 s PRO 82 Ca 0.00 2.11 -0.11 0.00 0.04 0.00 0.00 61.00 63.04 1t23 s PRO 82 Cb 0.00 -3.68 0.11 0.00 0.04 0.00 0.00 34.50 30.96 1t23 s PRO 82 CO 0.00 -0.69 1.14 -0.06 0.04 0.00 0.00 177.00 177.43 1t23 s PHE 83 N 2.90 1.94 -0.35 0.56 0.08 0.47 -4.69 117.98 118.89 1t23 s PHE 83 Ca 0.68 1.71 0.04 0.00 0.12 0.00 0.00 56.93 59.48 1t23 s PHE 83 Cb -0.34 -3.27 0.17 0.00 -0.57 0.00 0.00 43.02 39.01 1t23 s PHE 83 CO 0.28 -2.49 0.47 0.08 -0.10 0.00 0.00 175.22 173.46 1t23 s VAL 84 N -2.66 -0.64 -0.02 -0.44 1.01 -1.15 -1.78 120.40 114.71 1t23 s VAL 84 Ca 0.66 -0.45 -0.30 0.00 0.00 0.00 0.00 61.98 61.88 1t23 s VAL 84 Cb -0.22 -0.62 -0.04 0.00 0.00 0.00 0.00 36.38 35.50 1t23 s VAL 84 CO 0.56 -0.30 1.28 -0.75 0.00 0.00 0.00 175.10 175.88 1t23 s LYS 85 N 1.98 4.33 -0.87 2.72 2.47 -0.52 -4.73 119.74 125.13 1t23 s LYS 85 Ca 0.14 1.79 -0.17 0.00 -1.56 0.00 0.00 55.97 56.17 1t23 s LYS 85 Cb -0.11 -3.54 0.16 0.00 -1.46 0.00 0.00 37.83 32.88 1t23 s LYS 85 CO -0.14 -0.48 0.96 -1.59 0.16 0.00 0.00 175.35 174.25 1t23 s LYS 86 N 2.19 3.57 0.32 4.03 0.00 -1.26 -1.58 119.74 127.02 1t23 s LYS 86 Ca 0.59 -2.02 -0.14 0.00 0.00 0.00 0.00 55.97 54.41 1t23 s LYS 86 Cb -0.28 -4.68 -0.08 0.00 0.00 0.00 0.00 37.83 32.79 1t23 s LYS 86 CO 0.24 -1.56 0.72 -1.21 0.00 0.00 0.00 175.35 173.54 1t23 s GLU 87 N 1.67 3.95 0.00 1.78 2.02 0.22 -4.97 118.70 123.37 1t23 s GLU 87 Ca 0.25 0.60 -0.33 0.00 0.02 0.00 0.00 54.97 55.52 1t23 s GLU 87 Cb -0.08 -2.45 -0.11 0.00 0.10 0.00 0.00 34.13 31.59 1t23 s GLU 87 CO -0.08 0.15 1.86 0.54 0.02 0.00 0.00 175.26 177.74 1t23 n ARG 88 N -0.47 2.42 -2.38 1.61 1.74 -1.26 -3.71 116.66 114.62 1t23 n ARG 88 Ca 0.03 0.89 -0.42 0.00 -0.77 0.00 0.00 57.85 57.57 1t23 n ARG 88 Cb 0.53 -2.75 -0.03 0.00 -1.02 0.00 0.00 32.46 29.19 1t23 n ARG 88 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1t23 s ILE 89 N 3.55 4.07 0.55 0.55 1.01 -1.26 -4.20 121.20 125.46 1t23 s ILE 89 Ca 0.88 1.41 0.07 0.00 0.00 0.00 0.00 60.65 63.01 1t23 s ILE 89 Cb -0.60 -3.91 0.07 0.00 0.01 0.00 0.00 42.46 38.03 1t23 s ILE 89 CO 0.46 -0.00 0.55 -0.62 0.00 0.00 0.00 174.94 175.32 1t23 n GLU 90 N 5.28 0.66 -3.66 2.79 1.02 0.32 -4.93 120.64 122.12 1t23 n GLU 90 Ca 0.12 -3.26 -0.29 0.00 -0.02 0.00 0.00 57.16 53.70 1t23 n GLU 90 Cb 0.45 0.13 -0.14 0.00 -0.02 0.00 0.00 31.44 31.86 1t23 n GLU 90 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 1t23 s LYS 91 N -4.36 0.74 -0.02 3.49 1.02 -1.26 -1.39 119.74 117.97 1t23 s LYS 91 Ca 0.42 -1.26 -0.17 0.00 0.02 0.00 0.00 55.97 54.99 1t23 s LYS 91 Cb -0.03 -1.84 0.05 0.00 -0.52 0.00 0.00 37.83 35.49 1t23 s LYS 91 CO 0.27 -1.07 0.75 1.47 -0.92 0.00 0.00 175.35 175.85 1t23 n LEU 92 N 4.47 0.00 0.00 3.17 -0.00 -1.11 -4.51 117.00 119.01 1t23 n LEU 92 Ca 0.02 -0.20 0.00 0.00 -0.00 0.00 0.00 56.01 55.83 1t23 n LEU 92 Cb 0.39 1.05 0.00 0.00 -0.00 0.00 0.00 43.42 44.86 1t23 n LEU 92 CO 0.14 -0.07 0.00 -0.62 -0.00 0.00 0.00 177.39 176.84