#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 2.75 -0.02 6.43 -0.87 -1.26 -5.12 114.94 116.86 1t23 s ASN 2 Ca 0.00 -0.67 0.00 0.00 -1.57 0.00 0.00 52.86 50.62 1t23 s ASN 2 Cb 0.00 -0.77 0.03 0.00 -0.02 0.00 0.00 41.25 40.48 1t23 s ASN 2 CO 0.00 -0.23 0.02 -0.89 -2.57 0.00 0.00 177.10 173.44 1t23 s THR 3 N 1.73 -0.05 -0.16 1.60 2.01 -1.26 -4.22 115.64 115.29 1t23 s THR 3 Ca 0.00 0.18 0.02 0.00 0.31 0.00 0.00 61.69 62.20 1t23 s THR 3 Cb -0.16 -0.07 0.02 0.00 0.01 0.00 0.00 72.50 72.30 1t23 s THR 3 CO -0.07 0.08 -0.21 0.00 -0.69 0.00 0.00 174.62 173.73 1t23 s ARG 4 N 0.91 2.99 0.30 4.92 1.70 0.82 -4.85 118.95 125.74 1t23 s ARG 4 Ca -0.08 -0.83 -0.17 0.00 -0.47 0.00 0.00 55.73 54.18 1t23 s ARG 4 Cb -0.11 -2.51 -0.09 0.00 -0.57 0.00 0.00 34.95 31.67 1t23 s ARG 4 CO -0.03 -0.13 0.76 1.21 -1.08 0.00 0.00 175.30 176.03 1t23 s ASN 5 N 1.11 6.90 0.05 -2.89 3.84 -1.26 -0.17 114.94 122.52 1t23 s ASN 5 Ca 0.00 1.38 -0.06 0.00 0.21 0.00 0.00 52.86 54.40 1t23 s ASN 5 Cb -0.14 -2.41 -0.01 0.00 -0.55 0.00 0.00 41.25 38.14 1t23 s ASN 5 CO -0.09 -0.14 0.10 -0.36 -2.79 0.00 0.00 177.10 173.83 1t23 s PHE 6 N -1.84 0.22 -0.05 0.43 0.40 -0.58 -4.94 117.98 111.62 1t23 s PHE 6 Ca 0.51 -0.57 0.03 0.00 -0.60 0.00 0.00 56.93 56.30 1t23 s PHE 6 Cb -0.12 -0.15 0.01 0.00 0.51 0.00 0.00 43.02 43.26 1t23 s PHE 6 CO 0.18 -0.40 -0.12 0.14 0.70 0.00 0.00 175.22 175.73 1t23 s VAL 7 N -2.96 1.05 0.16 -0.44 -7.23 -1.24 -3.13 120.40 106.62 1t23 s VAL 7 Ca -0.02 -0.46 -0.24 0.00 -1.81 0.00 0.00 61.98 59.45 1t23 s VAL 7 Cb 0.01 -0.95 0.06 0.00 0.56 0.00 0.00 36.38 36.06 1t23 s VAL 7 CO -0.06 0.33 0.76 -1.48 -0.31 0.00 0.00 175.10 174.34 1t23 s LEU 8 N 0.47 -0.36 -0.16 1.32 2.34 0.20 -4.01 118.68 118.48 1t23 s LEU 8 Ca -0.10 -0.26 -0.01 0.00 0.06 0.00 0.00 54.13 53.82 1t23 s LEU 8 Cb -0.13 2.44 0.04 0.00 -0.56 0.00 0.00 46.19 47.98 1t23 s LEU 8 CO 0.02 -1.00 -0.03 -0.13 -1.06 0.00 0.00 176.35 174.16 1t23 s ARG 9 N -3.59 1.16 0.00 1.48 0.52 0.29 -1.74 118.95 117.08 1t23 s ARG 9 Ca 0.07 -0.43 0.00 0.00 -0.52 0.00 0.00 55.73 54.84 1t23 s ARG 9 Cb -0.03 -1.92 0.00 0.00 0.52 0.00 0.00 34.95 33.53 1t23 s ARG 9 CO -0.03 -0.47 0.00 -3.47 0.02 0.00 0.00 175.30 171.35 1t23 n ASP 10 N 4.94 0.00 -2.36 0.23 2.03 -0.98 0.31 116.55 120.72 1t23 n ASP 10 Ca -0.11 0.00 -0.09 0.00 0.52 0.00 0.00 54.79 55.11 1t23 n ASP 10 Cb 0.48 0.00 0.05 0.00 -0.72 0.00 0.00 41.12 40.92 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 -0.85 -0.67 4.71 0.93 -2.70 120.64 118.98 1t23 n GLU 11 Ca 0.00 0.47 0.00 0.00 -0.01 0.00 0.00 57.16 57.62 1t23 n GLU 11 Cb 0.00 -4.24 0.00 0.00 -1.01 0.00 0.00 31.44 26.19 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 -2.23 -4.77 0.00 1.62 8.00 -0.87 -4.83 116.55 113.47 1t23 n ASP 12 Ca -0.13 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.37 1t23 n ASP 12 Cb 0.59 -3.10 0.00 0.00 -0.02 0.00 0.00 41.12 38.59 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 0.59 0.14 0.18 0.44 0.00 -1.10 -4.76 105.19 100.68 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 -1.55 0.00 -3.65 1.61 5.03 0.93 -4.67 115.26 112.96 1t23 n ASN 14 Ca 0.00 0.00 0.01 0.00 0.87 0.00 0.00 54.58 55.46 1t23 n ASN 14 Cb 0.00 -0.01 -0.06 0.00 -1.02 0.00 0.00 39.78 38.69 1t23 n ASN 14 CO 0.00 0.00 0.00 -1.61 -1.83 0.00 0.00 177.26 173.82 1t23 s GLU 15 N -0.19 0.03 -0.14 3.52 2.02 0.66 -3.08 118.70 121.50 1t23 s GLU 15 Ca 0.00 0.04 -0.29 0.00 0.02 0.00 0.00 54.97 54.74 1t23 s GLU 15 Cb 0.00 0.01 -0.01 0.00 0.10 0.00 0.00 34.13 34.23 1t23 s GLU 15 CO 0.00 -0.01 1.03 -3.38 0.02 0.00 0.00 175.26 172.93 1t23 s HIS 16 N 0.64 3.43 -0.30 1.61 -3.43 -1.24 0.11 115.29 116.10 1t23 s HIS 16 Ca -0.02 1.53 -0.09 0.00 -0.80 0.00 0.00 55.06 55.68 1t23 s HIS 16 Cb -0.03 -3.23 0.18 0.00 -1.43 0.00 0.00 32.58 28.07 1t23 s HIS 16 CO -0.12 -0.38 0.89 0.20 -2.00 0.00 0.00 174.74 173.33 1t23 s GLY 17 N 1.16 -0.60 -0.42 -1.38 0.00 -0.71 -3.68 107.32 101.69 1t23 s GLY 17 Ca 0.47 2.40 0.04 0.00 0.00 0.00 0.00 44.72 47.64 1t23 s GLY 17 CO 0.14 3.69 0.39 0.14 0.00 0.00 0.00 173.10 177.46 1t23 s VAL 18 N 2.92 0.09 -0.00 1.40 1.01 -1.25 0.62 120.40 125.18 1t23 s VAL 18 Ca 0.07 -2.25 -0.09 0.00 0.00 0.00 0.00 61.98 59.71 1t23 s VAL 18 Cb -0.11 -1.03 0.03 0.00 0.00 0.00 0.00 36.38 35.27 1t23 s VAL 18 CO -0.15 -1.01 0.42 2.22 0.00 0.00 0.00 175.10 176.58 1t23 n PHE 19 N 3.02 -0.27 -4.34 5.22 1.16 -1.18 -5.01 117.46 116.05 1t23 n PHE 19 Ca 0.26 -0.25 -0.35 0.00 -1.87 0.00 0.00 57.45 55.24 1t23 n PHE 19 Cb 0.48 0.12 -0.10 0.00 -1.61 0.00 0.00 39.48 38.37 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 -2.13 4.29 -0.14 1.97 -4.23 -1.26 -1.52 115.64 112.61 1t23 s THR 20 Ca 0.10 -0.24 0.00 0.00 -1.18 0.00 0.00 61.69 60.37 1t23 s THR 20 Cb -0.00 -2.83 -0.01 0.00 1.34 0.00 0.00 72.50 71.00 1t23 s THR 20 CO -0.00 0.57 -0.15 -0.83 -0.54 0.00 0.00 174.62 173.67 1t23 s GLY 21 N -0.51 1.49 0.27 3.99 0.00 0.76 -4.82 107.32 108.50 1t23 s GLY 21 Ca 0.09 -0.96 -0.02 0.00 0.00 0.00 0.00 44.72 43.83 1t23 s GLY 21 CO 0.02 -0.13 1.88 0.07 0.00 0.00 0.00 173.10 174.95 1t23 h LYS 22 N 6.93 1.15 -5.96 2.90 2.10 -1.86 0.23 116.57 122.06 1t23 h LYS 22 Ca -0.27 -0.07 -0.66 0.00 -2.00 0.00 0.00 60.65 57.65 1t23 h LYS 22 Cb 1.21 -0.26 -0.31 0.00 -0.90 0.00 0.00 32.23 31.97 1t23 h LYS 22 CO 0.55 0.76 -0.87 -1.14 -2.00 0.00 0.00 179.45 176.74 1t23 s GLN 23 N -6.04 2.27 0.00 0.07 2.00 -1.26 -4.19 119.66 112.51 1t23 s GLN 23 Ca -0.12 -0.84 -0.25 0.00 -2.00 0.00 0.00 55.36 52.15 1t23 s GLN 23 Cb 0.20 -1.98 -0.17 0.00 0.80 0.00 0.00 33.01 31.85 1t23 s GLN 23 CO 0.81 0.39 1.28 -1.00 -0.50 0.00 0.00 175.29 176.27 1t23 h PRO 24 N 5.98 -0.24 0.00 1.67 0.13 -1.95 -2.49 132.00 135.11 1t23 h PRO 24 Ca -0.34 0.02 -0.01 0.00 -0.87 0.00 0.00 66.00 64.79 1t23 h PRO 24 Cb 1.16 0.05 -0.00 0.00 0.13 0.00 0.00 31.00 32.35 1t23 h PRO 24 CO 0.47 0.10 -0.16 0.00 -0.23 0.00 0.00 178.00 178.19 1t23 h ARG 25 N -0.61 0.00 -0.80 0.86 3.08 -1.93 -2.90 114.38 112.08 1t23 h ARG 25 Ca -0.03 0.00 0.13 0.00 0.07 0.00 0.00 59.98 60.15 1t23 h ARG 25 Cb 0.45 0.00 -0.09 0.00 0.08 0.00 0.00 29.97 30.41 1t23 h ARG 25 CO 0.04 0.25 0.39 0.37 -1.07 0.00 0.00 179.97 179.95 1t23 h GLN 26 N -1.00 0.58 0.00 0.04 4.15 -1.59 0.32 115.11 117.61 1t23 h GLN 26 Ca -0.02 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.37 1t23 h GLN 26 Cb 0.35 -0.13 0.00 0.00 0.21 0.00 0.00 27.48 27.91 1t23 h GLN 26 CO -0.01 0.38 0.00 0.00 -1.93 0.00 0.00 178.83 177.27 1t23 n ALA 27 N -2.43 2.15 0.10 3.38 0.00 -0.94 -3.31 120.51 119.46 1t23 n ALA 27 Ca 0.15 -0.02 -0.13 0.00 0.00 0.00 0.00 53.44 53.44 1t23 n ALA 27 Cb 0.38 -1.44 -0.08 0.00 0.00 0.00 0.00 19.45 18.31 1t23 n ALA 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1t23 h ALA 28 N 2.57 -0.19 -0.30 0.00 0.00 -0.15 0.57 119.26 121.76 1t23 h ALA 28 Ca 0.00 -0.09 -0.11 0.00 0.00 0.00 0.00 54.91 54.72 1t23 h ALA 28 Cb 0.60 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 1t23 h ALA 28 CO 0.00 -0.55 -0.23 1.37 0.00 0.00 0.00 179.25 179.84 1t23 h LEU 29 N -0.29 0.73 -0.63 0.00 8.10 -1.60 -3.08 115.31 118.54 1t23 h LEU 29 Ca -0.02 -0.45 -0.01 0.00 0.11 0.00 0.00 57.88 57.51 1t23 h LEU 29 Cb 0.23 -0.20 -0.03 0.00 -0.44 0.00 0.00 40.66 40.22 1t23 h LEU 29 CO 0.03 1.02 0.34 0.11 -4.11 0.00 0.00 178.44 175.82 1t23 h LYS 30 N 0.44 0.89 -0.17 0.17 1.79 -1.53 -3.10 116.57 115.06 1t23 h LYS 30 Ca 0.06 -0.11 0.00 0.00 -2.18 0.00 0.00 60.65 58.42 1t23 h LYS 30 Cb 0.78 -0.17 -0.01 0.00 -1.58 0.00 0.00 32.23 31.25 1t23 h LYS 30 CO 0.06 0.68 0.10 0.00 -1.08 0.00 0.00 179.45 179.21 1t23 h ALA 31 N 1.16 0.21 -0.28 3.86 0.00 0.19 -2.59 119.26 121.81 1t23 h ALA 31 Ca 0.22 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.09 1t23 h ALA 31 Cb 0.06 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 1t23 h ALA 31 CO -0.03 -0.32 0.05 0.00 0.00 0.00 0.00 179.25 178.94 1t23 h ALA 32 N 1.07 1.57 -0.87 0.00 0.00 -1.55 0.46 119.26 119.94 1t23 h ALA 32 Ca 0.06 -0.13 0.23 0.00 0.00 0.00 0.00 54.91 55.07 1t23 h ALA 32 Cb -0.02 -0.12 -0.15 0.00 0.00 0.00 0.00 17.79 17.51 1t23 h ALA 32 CO -0.02 0.32 0.17 -0.97 0.00 0.00 0.00 179.25 178.75 1t23 h ASN 33 N 0.39 -0.12 0.00 0.00 -0.00 -1.38 -3.26 115.58 111.21 1t23 h ASN 33 Ca 0.09 0.21 0.00 0.00 -0.00 0.00 0.00 56.30 56.60 1t23 h ASN 33 Cb 0.19 0.31 0.00 0.00 -0.00 0.00 0.00 38.32 38.82 1t23 h ASN 33 CO -0.00 -0.19 0.00 0.54 -0.00 0.00 0.00 177.43 177.78 1t23 n ARG 34 N -5.28 0.00 -0.02 6.67 5.12 -0.86 -4.92 116.66 117.37 1t23 n ARG 34 Ca 0.20 0.01 0.03 0.00 -1.93 0.00 0.00 57.85 56.16 1t23 n ARG 34 Cb 0.66 -0.47 0.04 0.00 -1.16 0.00 0.00 32.46 31.53 1t23 n ARG 34 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1t23 n GLY 35 N 1.59 -0.07 0.30 -0.13 0.00 -0.38 -4.67 105.19 101.83 1t23 n GLY 35 Ca 0.00 -0.19 0.14 0.00 0.00 0.00 0.00 46.02 45.97 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 0.30 1.04 -3.43 1.61 2.88 0.01 -4.27 113.62 111.77 1t23 n SER 36 Ca 0.04 -1.09 0.01 0.00 -1.33 0.00 0.00 58.87 56.51 1t23 n SER 36 Cb 0.20 0.03 -0.03 0.00 -0.75 0.00 0.00 64.21 63.66 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 -2.25 -0.58 0.47 0.46 0.00 -1.24 -3.73 107.32 100.45 1t23 s GLY 37 Ca 0.33 2.51 0.26 0.00 0.00 0.00 0.00 44.72 47.82 1t23 s GLY 37 CO 0.42 3.25 1.73 -0.84 0.00 0.00 0.00 173.10 177.66 1t23 h THR 38 N 5.78 0.03 0.00 0.90 2.02 -1.78 -3.43 112.91 116.44 1t23 h THR 38 Ca -0.18 -0.88 0.00 0.00 0.77 0.00 0.00 66.41 66.12 1t23 h THR 38 Cb 1.12 1.85 0.00 0.00 -1.74 0.00 0.00 68.15 69.39 1t23 h THR 38 CO 0.11 0.02 0.00 1.17 0.37 0.00 0.00 175.52 177.18 1t23 n LYS 39 N -3.11 0.00 0.27 6.66 0.00 -1.26 -4.13 118.16 116.59 1t23 n LYS 39 Ca 0.03 0.00 0.18 0.00 0.00 0.00 0.00 58.31 58.52 1t23 n LYS 39 Cb 0.46 0.00 0.78 0.00 0.00 0.00 0.00 35.03 36.27 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 -0.16 3.14 0.00 -1.97 -3.34 119.26 117.93 1t23 h ALA 40 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 54.91 54.66 1t23 h ALA 40 Cb 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 17.79 17.63 1t23 h ALA 40 CO 0.00 0.00 -0.53 -1.71 0.00 0.00 0.00 179.25 177.01 1t23 n ASN 41 N -2.99 -2.58 -3.01 0.00 4.05 -1.26 -4.92 115.26 104.56 1t23 n ASN 41 Ca -0.00 -3.32 -0.12 0.00 0.45 0.00 0.00 54.58 51.59 1t23 n ASN 41 Cb 0.24 1.66 -0.02 0.00 1.23 0.00 0.00 39.78 42.89 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 1.44 1.51 -2.06 1.20 -0.04 -1.26 0.31 135.00 136.11 1t23 n PRO 42 Ca 0.10 -1.38 -0.02 0.00 -0.04 0.00 0.00 63.50 62.15 1t23 n PRO 42 Cb 0.63 0.35 0.01 0.00 -0.04 0.00 0.00 33.50 34.45 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 -1.19 -0.74 -3.99 3.54 2.03 -1.19 -2.69 116.55 112.32 1t23 n ASP 43 Ca -0.07 -1.48 -0.27 0.00 0.52 0.00 0.00 54.79 53.48 1t23 n ASP 43 Cb 0.24 1.23 -0.17 0.00 -0.72 0.00 0.00 41.12 41.71 1t23 n ASP 43 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 1t23 s ILE 44 N -2.60 1.24 0.17 5.18 1.10 -1.18 -3.08 121.20 122.03 1t23 s ILE 44 Ca 0.06 -0.47 -0.24 0.00 -0.51 0.00 0.00 60.65 59.49 1t23 s ILE 44 Cb -0.02 -1.18 0.06 0.00 0.15 0.00 0.00 42.46 41.48 1t23 s ILE 44 CO 0.03 0.39 0.95 -0.51 -2.11 0.00 0.00 174.94 173.70 1t23 s ILE 45 N 1.25 0.00 -0.75 2.00 2.07 -1.10 -4.93 121.20 119.73 1t23 s ILE 45 Ca -0.03 -0.69 -0.26 0.00 -1.41 0.00 0.00 60.65 58.26 1t23 s ILE 45 Cb -0.14 -2.07 0.02 0.00 0.13 0.00 0.00 42.46 40.40 1t23 s ILE 45 CO -0.04 0.00 1.40 -0.13 -1.91 0.00 0.00 174.94 174.26 1t23 s ARG 46 N -3.24 3.13 -0.70 3.50 0.52 -1.26 -3.38 118.95 117.52 1t23 s ARG 46 Ca 0.13 -0.21 -0.26 0.00 -0.52 0.00 0.00 55.73 54.87 1t23 s ARG 46 Cb -0.02 -4.36 -0.03 0.00 0.52 0.00 0.00 34.95 31.07 1t23 s ARG 46 CO 0.03 -2.27 1.87 -0.51 0.02 0.00 0.00 175.30 174.43 1t23 s LEU 47 N 6.27 3.25 0.00 2.53 1.02 0.46 -4.72 118.68 127.50 1t23 s LEU 47 Ca 0.42 0.01 0.01 0.00 0.02 0.00 0.00 54.13 54.59 1t23 s LEU 47 Cb -0.08 -2.54 -0.00 0.00 0.02 0.00 0.00 46.19 43.59 1t23 s LEU 47 CO 0.13 -2.46 0.05 -2.11 0.02 0.00 0.00 176.35 171.97 1t23 n ARG 48 N 9.10 0.77 -3.72 1.70 1.85 -1.26 0.91 116.66 126.01 1t23 n ARG 48 Ca 0.26 -3.38 -0.11 0.00 -1.00 0.00 0.00 57.85 53.61 1t23 n ARG 48 Cb 0.51 1.21 -0.11 0.00 -1.05 0.00 0.00 32.46 33.01 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 -3.62 0.36 0.69 2.89 -6.30 0.23 -3.62 118.70 109.32 1t23 s GLU 49 Ca 0.07 0.66 -0.05 0.00 -2.50 0.00 0.00 54.97 53.15 1t23 s GLU 49 Cb 0.00 0.01 0.14 0.00 0.00 0.00 0.00 34.13 34.29 1t23 s GLU 49 CO 0.05 -0.13 0.94 0.54 0.02 0.00 0.00 175.26 176.68 1t23 n ARG 50 N 3.91 -0.35 0.00 4.30 5.12 -1.26 -3.64 116.66 124.74 1t23 n ARG 50 Ca -0.21 -2.14 0.00 0.00 -1.93 0.00 0.00 57.85 53.56 1t23 n ARG 50 Cb 0.55 -0.76 0.00 0.00 -1.16 0.00 0.00 32.46 31.10 1t23 n ARG 50 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1t23 n GLY 51 N -1.82 1.37 3.67 -0.13 0.00 -1.26 -4.82 105.19 102.20 1t23 n GLY 51 Ca 0.14 -0.02 -0.22 0.00 0.00 0.00 0.00 46.02 45.92 1t23 n GLY 51 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1t23 n THR 52 N 0.00 0.00 -2.92 2.61 -2.24 -1.26 -5.04 114.28 105.43 1t23 n THR 52 Ca 0.00 -1.97 -0.43 0.00 -2.27 0.00 0.00 64.05 59.38 1t23 n THR 52 Cb 0.00 -0.28 -0.04 0.00 -2.10 0.00 0.00 70.33 67.92 1t23 n THR 52 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1t23 s LYS 53 N -4.32 3.14 -0.23 -0.78 3.01 -1.26 -4.83 119.74 114.47 1t23 s LYS 53 Ca 0.43 -1.02 -0.03 0.00 -1.01 0.00 0.00 55.97 54.34 1t23 s LYS 53 Cb -0.03 -4.30 0.10 0.00 -1.01 0.00 0.00 37.83 32.59 1t23 s LYS 53 CO 0.27 -1.76 0.21 0.15 0.51 0.00 0.00 175.35 174.74 1t23 s LYS 54 N 3.65 0.21 -0.19 1.68 1.02 -1.24 0.38 119.74 125.25 1t23 s LYS 54 Ca 0.21 -0.00 -0.06 0.00 0.02 0.00 0.00 55.97 56.14 1t23 s LYS 54 Cb -0.17 -1.15 0.09 0.00 -0.52 0.00 0.00 37.83 36.07 1t23 s LYS 54 CO 0.08 -0.79 0.37 0.08 -0.92 0.00 0.00 175.35 174.17 1t23 s VAL 55 N 2.28 -0.58 -0.13 3.17 1.01 0.29 0.75 120.40 127.19 1t23 s VAL 55 Ca 0.07 0.17 -0.01 0.00 0.00 0.00 0.00 61.98 62.21 1t23 s VAL 55 Cb -0.15 -0.63 0.03 0.00 0.00 0.00 0.00 36.38 35.63 1t23 s VAL 55 CO -0.20 0.06 -0.04 -2.28 0.00 0.00 0.00 175.10 172.64 1t23 s HIS 56 N 2.55 1.35 -0.30 5.22 5.04 0.26 0.63 115.29 130.04 1t23 s HIS 56 Ca 0.01 -0.75 -0.08 0.00 -1.54 0.00 0.00 55.06 52.70 1t23 s HIS 56 Cb -0.12 -1.15 -0.00 0.00 0.04 0.00 0.00 32.58 31.34 1t23 s HIS 56 CO -0.12 -0.52 0.12 0.08 -2.34 0.00 0.00 174.74 171.96 1t23 s VAL 57 N 1.75 4.34 0.25 0.89 1.01 -1.15 0.18 120.40 127.66 1t23 s VAL 57 Ca 0.03 -0.49 -0.12 0.00 0.00 0.00 0.00 61.98 61.40 1t23 s VAL 57 Cb -0.14 -3.20 0.05 0.00 0.00 0.00 0.00 36.38 33.09 1t23 s VAL 57 CO -0.07 0.10 0.62 0.49 0.00 0.00 0.00 175.10 176.24 1t23 n PHE 58 N 4.93 -1.78 -4.52 5.22 3.72 -1.22 0.01 117.46 123.83 1t23 n PHE 58 Ca -0.14 -1.24 -0.23 0.00 -0.05 0.00 0.00 57.45 55.78 1t23 n PHE 58 Cb 0.49 0.62 -0.16 0.00 -0.94 0.00 0.00 39.48 39.49 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 -2.06 1.38 -0.26 -1.08 1.02 0.16 -2.70 119.74 116.21 1t23 s LYS 59 Ca 0.13 -0.38 0.02 0.00 0.02 0.00 0.00 55.97 55.76 1t23 s LYS 59 Cb -0.03 -1.21 0.06 0.00 -0.52 0.00 0.00 37.83 36.13 1t23 s LYS 59 CO 0.07 0.08 -0.09 0.00 -0.92 0.00 0.00 175.35 174.50 1t23 s ALA 60 N 0.43 2.41 0.16 5.17 0.00 -1.18 -1.93 121.76 126.83 1t23 s ALA 60 Ca -0.09 -1.69 0.02 0.00 0.00 0.00 0.00 51.96 50.20 1t23 s ALA 60 Cb -0.13 -1.56 -0.01 0.00 0.00 0.00 0.00 23.12 21.43 1t23 s ALA 60 CO 0.02 -1.22 0.06 0.91 0.00 0.00 0.00 175.76 175.53 1t23 n TRP 61 N 4.49 0.03 -3.79 0.00 8.01 0.03 -3.96 117.44 122.25 1t23 n TRP 61 Ca -0.13 -1.06 -0.35 0.00 -1.31 0.00 0.00 57.50 54.65 1t23 n TRP 61 Cb 0.43 0.01 -0.11 0.00 -2.01 0.00 0.00 31.31 29.62 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 -2.62 2.33 -0.03 -0.99 2.36 -1.26 0.13 119.74 119.66 1t23 s LYS 62 Ca 0.09 -2.45 -0.30 0.00 -2.55 0.00 0.00 55.97 50.76 1t23 s LYS 62 Cb 0.00 -3.60 0.11 0.00 -1.05 0.00 0.00 37.83 33.29 1t23 s LYS 62 CO 0.06 -1.14 1.07 -2.00 1.55 0.00 0.00 175.35 174.90 1t23 s GLU 63 N 0.06 0.66 -0.79 4.03 2.56 0.75 -4.78 118.70 121.19 1t23 s GLU 63 Ca 0.16 -0.30 -0.25 0.00 0.00 0.00 0.00 54.97 54.57 1t23 s GLU 63 Cb -0.22 0.27 -0.03 0.00 2.00 0.00 0.00 34.13 36.15 1t23 s GLU 63 CO -0.03 -0.30 1.89 -1.50 -0.56 0.00 0.00 175.26 174.77 1t23 s ILE 64 N -2.81 3.43 0.00 -3.70 2.07 -1.24 -2.37 121.20 116.57 1t23 s ILE 64 Ca 0.09 -0.15 0.00 0.00 -1.41 0.00 0.00 60.65 59.18 1t23 s ILE 64 Cb 0.00 -4.02 0.00 0.00 0.13 0.00 0.00 42.46 38.57 1t23 s ILE 64 CO -0.05 -0.97 0.00 0.55 -1.91 0.00 0.00 174.94 172.56 1t23 n VAL 65 N 7.58 0.00 -4.99 4.00 3.14 -0.99 -4.79 118.33 122.28 1t23 n VAL 65 Ca 0.32 0.00 -0.32 0.00 -2.96 0.00 0.00 64.34 61.38 1t23 n VAL 65 Cb 0.49 -1.11 -0.14 0.00 -1.06 0.00 0.00 33.84 32.02 1t23 n VAL 65 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 1t23 s ASP 66 N -1.00 3.73 -0.52 6.55 2.15 -1.03 -1.29 116.67 125.26 1t23 s ASP 66 Ca 0.00 -0.29 -0.27 0.00 0.43 0.00 0.00 52.55 52.42 1t23 s ASP 66 Cb 0.00 -0.69 -0.08 0.00 -0.30 0.00 0.00 42.92 41.85 1t23 s ASP 66 CO 0.00 0.33 2.43 0.00 -0.17 0.00 0.00 175.17 177.77 1t23 n ALA 67 N 2.28 0.78 -2.39 3.66 0.00 -0.92 -4.33 120.51 119.58 1t23 n ALA 67 Ca -0.17 -0.87 -0.37 0.00 0.00 0.00 0.00 53.44 52.03 1t23 n ALA 67 Cb 0.52 -3.13 -0.03 0.00 0.00 0.00 0.00 19.45 16.81 1t23 n ALA 67 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1t23 s PRO 68 N 8.28 3.37 -1.67 0.00 0.04 -1.26 -4.37 135.00 139.38 1t23 s PRO 68 Ca 1.01 -1.38 -0.21 0.00 0.04 0.00 0.00 61.00 60.47 1t23 s PRO 68 Cb -0.26 -5.37 0.20 0.00 0.04 0.00 0.00 34.50 29.11 1t23 s PRO 68 CO 0.28 -2.78 0.57 1.63 0.04 0.00 0.00 177.00 176.74 1t23 n LYS 69 N 8.55 -1.37 0.21 4.56 5.02 -1.26 -4.79 118.16 129.09 1t23 n LYS 69 Ca 0.43 0.17 0.13 0.00 -2.02 0.00 0.00 58.31 57.02 1t23 n LYS 69 Cb 0.47 -4.77 0.31 0.00 -0.02 0.00 0.00 35.03 31.02 1t23 n LYS 69 CO 0.00 0.00 0.00 -0.91 -0.52 0.00 0.00 177.40 175.97 1t23 h ASN 70 N -0.89 0.00 -6.95 4.39 2.35 -1.87 -3.47 115.58 109.14 1t23 h ASN 70 Ca -0.54 0.00 -0.59 0.00 -0.55 0.00 0.00 56.30 54.62 1t23 h ASN 70 Cb 1.35 0.00 -0.16 0.00 0.05 0.00 0.00 38.32 39.56 1t23 h ASN 70 CO 0.79 0.00 -0.96 -2.11 -1.65 0.00 0.00 177.43 173.50 1t23 n ARG 71 N -2.97 -1.36 -3.28 0.81 0.00 -1.26 -2.02 116.66 106.58 1t23 n ARG 71 Ca 0.03 0.15 -0.46 0.00 -0.00 0.00 0.00 57.85 57.58 1t23 n ARG 71 Cb 0.47 -3.70 -0.05 0.00 -0.00 0.00 0.00 32.46 29.18 1t23 n ARG 71 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.63 176.38 1t23 s PRO 72 N -7.21 3.02 0.61 2.89 0.04 -1.26 -4.73 135.00 128.35 1t23 s PRO 72 Ca 0.04 -1.68 0.35 0.00 0.04 0.00 0.00 61.00 59.75 1t23 s PRO 72 Cb -0.02 -4.30 1.90 0.00 0.04 0.00 0.00 34.50 32.12 1t23 s PRO 72 CO 0.97 -1.36 2.06 0.00 0.04 0.00 0.00 177.00 178.72 1t23 h ALA 73 N 8.90 1.14 0.16 8.56 0.00 -1.99 -1.30 119.26 134.74 1t23 h ALA 73 Ca -0.29 0.00 -0.24 0.00 0.00 0.00 0.00 54.91 54.38 1t23 h ALA 73 Cb 1.10 0.00 0.03 0.00 0.00 0.00 0.00 17.79 18.91 1t23 h ALA 73 CO 1.04 -0.14 -1.06 -1.49 0.00 0.00 0.00 179.25 177.60 1t23 h TRP 74 N 0.00 0.75 -0.67 0.00 4.06 -2.00 -3.47 115.95 114.62 1t23 h TRP 74 Ca 0.00 -0.52 0.22 0.00 2.06 0.00 0.00 58.89 60.64 1t23 h TRP 74 Cb 0.30 -0.04 -0.28 0.00 -1.00 0.00 0.00 29.16 28.14 1t23 h TRP 74 CO 0.00 1.40 0.52 1.41 -3.56 0.00 0.00 178.44 178.21 1t23 s MET 75 N -2.61 0.12 0.88 0.49 1.75 -0.49 -5.18 119.30 114.26 1t23 s MET 75 Ca -0.12 0.26 -0.11 0.00 -1.25 0.00 0.00 55.69 54.47 1t23 s MET 75 Cb 0.03 0.12 0.17 0.00 2.84 0.00 0.00 34.83 37.98 1t23 s MET 75 CO 0.88 -0.03 1.21 -1.25 -0.65 0.00 0.00 175.02 175.18 1t23 s PRO 76 N 1.80 1.08 -0.03 4.11 0.04 -1.25 -4.64 135.00 136.12 1t23 s PRO 76 Ca -0.03 -0.53 0.08 0.00 0.04 0.00 0.00 61.00 60.56 1t23 s PRO 76 Cb -0.02 -1.99 0.28 0.00 0.04 0.00 0.00 34.50 32.80 1t23 s PRO 76 CO -0.15 -2.05 1.16 -1.91 0.04 0.00 0.00 177.00 174.09 1t23 n GLU 77 N -3.46 1.91 -2.67 4.56 0.00 -1.26 -4.60 120.64 115.12 1t23 n GLU 77 Ca 0.14 -1.11 -0.43 0.00 0.00 0.00 0.00 57.16 55.76 1t23 n GLU 77 Cb 0.60 -1.38 0.00 0.00 0.00 0.00 0.00 31.44 30.66 1t23 n GLU 77 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.13 178.30 1t23 n LYS 78 N 0.33 3.24 0.00 5.31 4.81 -1.26 -2.17 118.16 128.43 1t23 n LYS 78 Ca 0.10 -3.43 0.00 0.00 -0.87 0.00 0.00 58.31 54.11 1t23 n LYS 78 Cb 0.35 -3.37 0.00 0.00 0.02 0.00 0.00 35.03 32.03 1t23 n LYS 78 CO 0.00 0.00 0.00 1.51 1.17 0.00 0.00 177.40 180.08 1t23 n ILE 79 N 5.89 0.00 -2.04 3.15 3.06 -0.41 -4.79 119.36 124.22 1t23 n ILE 79 Ca 0.46 0.00 -0.41 0.00 -2.50 0.00 0.00 62.75 60.30 1t23 n ILE 79 Cb 0.45 0.00 -0.03 0.00 0.54 0.00 0.00 39.64 40.60 1t23 n ILE 79 CO 0.00 0.00 0.00 -0.94 -2.50 0.00 0.00 176.55 173.11 1t23 s SER 80 N 0.00 5.69 0.00 9.51 1.04 -1.26 -2.35 113.70 126.33 1t23 s SER 80 Ca 0.00 0.93 0.00 0.00 0.48 0.00 0.00 55.95 57.36 1t23 s SER 80 Cb 0.00 -2.53 0.00 0.00 0.10 0.00 0.00 66.02 63.59 1t23 s SER 80 CO 0.00 -1.94 0.00 0.29 0.98 0.00 0.00 173.24 172.57 1t23 n LYS 81 N 8.66 0.00 -2.59 4.02 5.02 -1.00 -4.77 118.16 127.50 1t23 n LYS 81 Ca 0.22 0.00 -0.42 0.00 -2.02 0.00 0.00 58.31 56.08 1t23 n LYS 81 Cb 0.49 0.00 -0.03 0.00 -0.02 0.00 0.00 35.03 35.47 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 1.45 4.38 0.52 1.97 0.04 -1.25 0.27 135.00 142.38 1t23 s PRO 82 Ca 0.00 1.50 -0.22 0.00 0.04 0.00 0.00 61.00 62.32 1t23 s PRO 82 Cb 0.00 -3.56 -0.06 0.00 0.04 0.00 0.00 34.50 30.93 1t23 s PRO 82 CO 0.00 -0.39 1.35 -0.06 0.04 0.00 0.00 177.00 177.95 1t23 s PHE 83 N 2.17 2.36 -0.33 0.56 0.08 0.36 -4.66 117.98 118.52 1t23 s PHE 83 Ca 0.51 1.37 -0.00 0.00 0.12 0.00 0.00 56.93 58.93 1t23 s PHE 83 Cb -0.21 -3.79 0.13 0.00 -0.57 0.00 0.00 43.02 38.59 1t23 s PHE 83 CO 0.19 -2.80 0.24 0.08 -0.10 0.00 0.00 175.22 172.83 1t23 s VAL 84 N -1.30 -0.13 -0.31 -0.44 1.01 -1.21 -0.79 120.40 117.22 1t23 s VAL 84 Ca 0.69 -1.05 -0.22 0.00 0.00 0.00 0.00 61.98 61.41 1t23 s VAL 84 Cb -0.40 -0.96 -0.00 0.00 0.00 0.00 0.00 36.38 35.02 1t23 s VAL 84 CO 0.48 -0.73 0.72 -0.54 0.00 0.00 0.00 175.10 175.04 1t23 s LYS 85 N 1.69 3.92 0.78 2.72 -0.14 -0.81 -4.65 119.74 123.25 1t23 s LYS 85 Ca 0.14 0.45 -0.11 0.00 -1.36 0.00 0.00 55.97 55.09 1t23 s LYS 85 Cb -0.18 -3.73 0.06 0.00 -1.68 0.00 0.00 37.83 32.30 1t23 s LYS 85 CO -0.17 -0.65 1.08 -1.59 -0.76 0.00 0.00 175.35 173.27 1t23 s LYS 86 N 2.82 2.23 -0.03 1.68 0.00 -1.26 -0.67 119.74 124.51 1t23 s LYS 86 Ca 0.29 0.88 -0.29 0.00 0.00 0.00 0.00 55.97 56.85 1t23 s LYS 86 Cb -0.14 -1.92 0.10 0.00 0.00 0.00 0.00 37.83 35.87 1t23 s LYS 86 CO 0.12 -1.58 0.85 -1.21 0.00 0.00 0.00 175.35 173.53 1t23 s GLU 87 N -5.03 0.86 0.12 1.78 2.02 0.10 -4.79 118.70 113.76 1t23 s GLU 87 Ca 0.60 -0.11 -0.35 0.00 0.02 0.00 0.00 54.97 55.13 1t23 s GLU 87 Cb -0.15 0.40 -0.17 0.00 0.10 0.00 0.00 34.13 34.31 1t23 s GLU 87 CO 0.55 -0.33 1.19 -2.13 0.02 0.00 0.00 175.26 174.56 1t23 n ARG 88 N 0.19 0.97 -4.99 1.61 0.00 -1.26 -3.81 116.66 109.37 1t23 n ARG 88 Ca -0.12 0.35 -0.29 0.00 -0.00 0.00 0.00 57.85 57.79 1t23 n ARG 88 Cb 0.60 -1.88 -0.15 0.00 0.00 0.00 0.00 32.46 31.03 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 0.06 1.93 -0.06 5.15 1.01 -1.26 -2.95 121.20 125.07 1t23 s ILE 89 Ca 0.79 -1.18 -0.02 0.00 0.00 0.00 0.00 60.65 60.24 1t23 s ILE 89 Cb -0.94 -1.63 0.04 0.00 0.01 0.00 0.00 42.46 39.94 1t23 s ILE 89 CO 0.51 0.42 0.10 -1.61 0.00 0.00 0.00 174.94 174.36 1t23 s GLU 90 N -0.90 -0.01 0.28 2.79 2.02 0.21 -4.98 118.70 118.10 1t23 s GLU 90 Ca 0.10 0.41 0.03 0.00 0.02 0.00 0.00 54.97 55.53 1t23 s GLU 90 Cb -0.09 -0.34 -0.04 0.00 0.10 0.00 0.00 34.13 33.76 1t23 s GLU 90 CO 0.01 -0.27 0.18 -1.59 0.02 0.00 0.00 175.26 173.61 1t23 s LYS 91 N 1.90 1.50 0.12 1.61 -2.85 -1.26 0.10 119.74 120.87 1t23 s LYS 91 Ca 0.00 -1.84 -0.31 0.00 -1.00 0.00 0.00 55.97 52.82 1t23 s LYS 91 Cb -0.12 0.15 -0.07 0.00 -2.06 0.00 0.00 37.83 35.73 1t23 s LYS 91 CO -0.04 -0.49 1.31 -0.48 0.10 0.00 0.00 175.35 175.75 1t23 s LEU 92 N -3.30 4.39 0.00 2.77 0.05 1.20 -4.80 118.68 118.99 1t23 s LEU 92 Ca 0.38 2.25 0.22 0.00 0.05 0.00 0.00 54.13 57.04 1t23 s LEU 92 Cb 0.05 -3.59 0.18 0.00 -2.05 0.00 0.00 46.19 40.78 1t23 s LEU 92 CO 0.19 -0.56 1.21 -0.62 -0.55 0.00 0.00 176.35 176.02