#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2d8h n SER 2 N 0.00 1.89 -0.03 1.61 7.64 -1.26 -4.64 113.62 118.83 2d8h n SER 2 Ca 0.00 0.44 -0.14 0.00 1.01 0.00 0.00 58.87 60.18 2d8h n SER 2 Cb 0.00 -0.84 -0.10 0.00 -1.01 0.00 0.00 64.21 62.26 2d8h n SER 2 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 2d8h h SER 3 N -1.00 0.22 -4.47 6.43 0.02 -2.12 -3.50 113.55 109.13 2d8h h SER 3 Ca -0.21 -0.68 0.00 0.00 -0.84 0.00 0.00 61.79 60.07 2d8h h SER 3 Cb 1.03 -0.07 -0.06 0.00 0.14 0.00 0.00 62.40 63.44 2d8h h SER 3 CO -0.12 0.87 -1.00 0.61 -1.14 0.00 0.00 176.83 176.04 2d8h n GLY 4 N 0.78 -4.39 0.25 -3.77 0.00 -1.26 -4.98 105.19 91.82 2d8h n GLY 4 Ca -0.09 0.87 -0.10 0.00 0.00 0.00 0.00 46.02 46.70 2d8h n GLY 4 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2d8h h SER 5 N 2.68 -0.47 -2.77 1.61 0.02 -1.99 -3.43 113.55 109.19 2d8h h SER 5 Ca -0.26 -0.04 -0.54 0.00 -0.84 0.00 0.00 61.79 60.11 2d8h h SER 5 Cb 0.59 0.12 0.01 0.00 0.14 0.00 0.00 62.40 63.27 2d8h h SER 5 CO 0.03 -0.03 0.94 -0.94 -1.14 0.00 0.00 176.83 175.69 2d8h s SER 6 N -4.94 6.69 -0.34 3.07 1.04 -1.26 -4.88 113.70 113.07 2d8h s SER 6 Ca -0.10 2.37 0.14 0.00 0.48 0.00 0.00 55.95 58.83 2d8h s SER 6 Cb 0.01 -2.56 0.42 0.00 0.10 0.00 0.00 66.02 63.99 2d8h s SER 6 CO 0.31 -0.83 1.40 0.61 0.98 0.00 0.00 173.24 175.71 2d8h n GLY 7 N 3.87 1.79 3.44 7.32 0.00 -1.26 -5.12 105.19 115.22 2d8h n GLY 7 Ca 0.15 -0.35 -0.32 0.00 0.00 0.00 0.00 46.02 45.49 2d8h n GLY 7 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 2d8h s HIS 8 N -0.60 2.64 -0.99 1.61 0.00 -1.26 -5.07 115.29 111.61 2d8h s HIS 8 Ca 0.16 -0.23 -0.05 0.00 -3.00 0.00 0.00 55.06 51.94 2d8h s HIS 8 Cb 0.42 -1.61 0.25 0.00 -4.00 0.00 0.00 32.58 27.63 2d8h s HIS 8 CO -0.10 0.13 0.93 -1.21 -1.00 0.00 0.00 174.74 173.50 2d8h s GLU 9 N -0.67 3.70 -0.54 -0.38 2.02 -1.26 -5.02 118.70 116.55 2d8h s GLU 9 Ca 0.10 -3.26 -0.39 0.00 0.02 0.00 0.00 54.97 51.44 2d8h s GLU 9 Cb -0.11 -4.23 -0.18 0.00 0.10 0.00 0.00 34.13 29.71 2d8h s GLU 9 CO 0.00 -1.25 2.09 -2.13 0.02 0.00 0.00 175.26 173.99 2d8h n ARG 10 N 2.49 0.00 -1.84 1.61 0.63 -1.26 -4.77 116.66 113.52 2d8h n ARG 10 Ca 0.23 0.00 -0.42 0.00 -0.92 0.00 0.00 57.85 56.73 2d8h n ARG 10 Cb 0.38 -1.40 -0.03 0.00 0.45 0.00 0.00 32.46 31.86 2d8h n ARG 10 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 2d8h s VAL 11 N 6.07 3.31 0.00 5.15 0.11 -1.26 -4.54 120.40 129.24 2d8h s VAL 11 Ca 1.15 0.37 0.00 0.00 -2.93 0.00 0.00 61.98 60.56 2d8h s VAL 11 Cb -1.37 -3.25 0.00 0.00 -1.53 0.00 0.00 36.38 30.24 2d8h s VAL 11 CO 0.59 -0.04 0.00 0.61 -3.33 0.00 0.00 175.10 172.93 2d8h n GLY 12 N 4.41 0.00 3.53 6.54 0.00 -1.26 -5.11 105.19 113.30 2d8h n GLY 12 Ca 0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.79 2d8h n GLY 12 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2d8h s ASN 13 N 0.00 6.33 0.24 1.61 0.01 -1.26 -5.02 114.94 116.85 2d8h s ASN 13 Ca 0.00 -0.30 -0.07 0.00 -0.71 0.00 0.00 52.86 51.77 2d8h s ASN 13 Cb 0.00 -2.49 -0.06 0.00 0.41 0.00 0.00 41.25 39.11 2d8h s ASN 13 CO 0.00 -1.41 0.53 -0.76 -1.51 0.00 0.00 177.10 173.95 2d8h s LEU 14 N 4.51 4.13 -0.05 0.60 2.01 -1.26 -5.01 118.68 123.62 2d8h s LEU 14 Ca 0.34 0.81 0.01 0.00 0.01 0.00 0.00 54.13 55.30 2d8h s LEU 14 Cb -0.11 -3.59 -0.03 0.00 0.01 0.00 0.00 46.19 42.47 2d8h s LEU 14 CO 0.19 -0.11 -0.03 0.59 1.01 0.00 0.00 176.35 178.00 2d8h n ASN 15 N -0.43 3.71 -3.67 2.29 3.02 -1.26 -5.07 115.26 113.85 2d8h n ASN 15 Ca -0.01 -0.02 -0.14 0.00 -0.03 0.00 0.00 54.58 54.38 2d8h n ASN 15 Cb 0.53 0.04 -0.08 0.00 -0.61 0.00 0.00 39.78 39.66 2d8h n ASN 15 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2d8h s GLN 16 N -2.10 0.71 1.16 3.52 -2.07 -1.26 -5.17 119.66 114.44 2d8h s GLN 16 Ca -0.06 0.60 -0.18 0.00 -1.82 0.00 0.00 55.36 53.91 2d8h s GLN 16 Cb 0.02 0.34 0.27 0.00 -1.09 0.00 0.00 33.01 32.54 2d8h s GLN 16 CO 0.12 -0.12 1.11 -1.25 -1.32 0.00 0.00 175.29 173.82 2d8h s PRO 17 N -0.08 -0.86 0.07 9.60 0.04 -1.26 -5.07 135.00 137.45 2d8h s PRO 17 Ca -0.03 0.07 0.09 0.00 0.04 0.00 0.00 61.00 61.17 2d8h s PRO 17 Cb -0.03 -1.63 -0.03 0.00 0.04 0.00 0.00 34.50 32.85 2d8h s PRO 17 CO 0.02 -3.50 -0.24 0.42 0.04 0.00 0.00 177.00 173.74 2d8h s ILE 18 N -2.99 2.00 -0.24 0.56 1.01 -0.92 -4.92 121.20 115.70 2d8h s ILE 18 Ca 0.70 -1.46 -0.08 0.00 0.00 0.00 0.00 60.65 59.81 2d8h s ILE 18 Cb -0.12 -1.74 -0.03 0.00 0.01 0.00 0.00 42.46 40.57 2d8h s ILE 18 CO 0.56 0.20 0.08 -1.61 0.00 0.00 0.00 174.94 174.18 2d8h s GLU 19 N -1.51 3.75 0.09 2.79 2.02 -1.26 0.10 118.70 124.67 2d8h s GLU 19 Ca 0.11 -0.44 0.07 0.00 0.02 0.00 0.00 54.97 54.73 2d8h s GLU 19 Cb -0.10 -3.34 -0.03 0.00 0.10 0.00 0.00 34.13 30.76 2d8h s GLU 19 CO 0.03 -0.10 -0.19 0.14 0.02 0.00 0.00 175.26 175.16 2d8h s VAL 20 N 1.39 1.55 -0.24 2.63 -7.23 -1.11 -4.72 120.40 112.67 2d8h s VAL 20 Ca 0.05 -1.46 -0.07 0.00 -1.81 0.00 0.00 61.98 58.69 2d8h s VAL 20 Cb -0.15 -1.42 -0.03 0.00 0.56 0.00 0.00 36.38 35.34 2d8h s VAL 20 CO 0.04 -0.09 0.07 -0.89 -0.31 0.00 0.00 175.10 173.92 2d8h s THR 21 N -1.17 4.34 -0.30 5.32 2.01 -1.00 -1.35 115.64 123.49 2d8h s THR 21 Ca 0.04 -0.16 -0.28 0.00 0.31 0.00 0.00 61.69 61.60 2d8h s THR 21 Cb -0.10 -3.02 -0.05 0.00 0.01 0.00 0.00 72.50 69.34 2d8h s THR 21 CO 0.04 0.35 2.17 0.00 -0.69 0.00 0.00 174.62 176.48 2d8h s ALA 22 N 1.49 2.54 0.47 7.40 0.00 -1.04 -2.56 121.76 130.07 2d8h s ALA 22 Ca 0.06 0.51 0.14 0.00 0.00 0.00 0.00 51.96 52.66 2d8h s ALA 22 Cb -0.15 -4.12 1.10 0.00 0.00 0.00 0.00 23.12 19.95 2d8h s ALA 22 CO 0.04 -3.10 2.07 -0.07 0.00 0.00 0.00 175.76 174.70 2d8h h LEU 23 N 15.67 0.07 -8.30 0.00 3.38 0.13 1.11 115.31 127.37 2d8h h LEU 23 Ca -0.36 -0.01 -0.15 0.00 0.09 0.00 0.00 57.88 57.45 2d8h h LEU 23 Cb 1.23 -0.02 -0.14 0.00 0.09 0.00 0.00 40.66 41.82 2d8h h LEU 23 CO 1.02 0.13 -0.48 -0.31 0.09 0.00 0.00 178.44 178.89 2d8h s TYR 24 N -4.94 0.68 0.63 1.13 2.02 -1.16 -4.75 117.35 110.96 2d8h s TYR 24 Ca -0.05 -1.03 -0.13 0.00 -0.37 0.00 0.00 57.07 55.49 2d8h s TYR 24 Cb 0.16 -0.28 -0.02 0.00 -0.40 0.00 0.00 41.96 41.42 2d8h s TYR 24 CO 0.69 -0.65 1.05 -1.54 -1.57 0.00 0.00 175.55 173.53 2d8h s SER 25 N -3.03 5.78 0.02 2.29 1.04 -1.26 -3.52 113.70 115.02 2d8h s SER 25 Ca 0.23 1.64 -0.23 0.00 0.48 0.00 0.00 55.95 58.07 2d8h s SER 25 Cb 0.05 -2.50 0.05 0.00 0.10 0.00 0.00 66.02 63.72 2d8h s SER 25 CO 0.03 -1.17 0.53 0.12 0.98 0.00 0.00 173.24 173.73 2d8h s PHE 26 N -2.83 -0.45 -0.21 5.02 5.36 -0.97 -4.87 117.98 119.02 2d8h s PHE 26 Ca 0.59 0.60 -0.04 0.00 -0.96 0.00 0.00 56.93 57.12 2d8h s PHE 26 Cb -0.14 0.33 0.07 0.00 -0.34 0.00 0.00 43.02 42.95 2d8h s PHE 26 CO 0.46 -0.61 0.09 -1.21 -1.46 0.00 0.00 175.22 172.50 2d8h s GLU 27 N -2.04 0.20 -0.78 10.12 2.02 -1.26 -3.22 118.70 123.74 2d8h s GLU 27 Ca -0.08 -0.28 -0.31 0.00 0.02 0.00 0.00 54.97 54.32 2d8h s GLU 27 Cb -0.01 -1.70 -0.17 0.00 0.10 0.00 0.00 34.13 32.35 2d8h s GLU 27 CO 0.02 -0.77 2.55 0.41 0.02 0.00 0.00 175.26 177.48 2d8h n GLY 28 N 5.22 -0.22 0.16 -1.39 0.00 -1.15 -4.75 105.19 103.06 2d8h n GLY 28 Ca -0.07 1.01 0.03 0.00 0.00 0.00 0.00 46.02 47.00 2d8h n GLY 28 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 2d8h h GLN 29 N 13.68 0.00 -6.17 1.61 1.08 -1.97 -3.45 115.11 119.89 2d8h h GLN 29 Ca -0.12 0.00 -0.53 0.00 -1.45 0.00 0.00 58.65 56.55 2d8h h GLN 29 Cb 1.31 0.00 -0.05 0.00 -0.05 0.00 0.00 27.48 28.69 2d8h h GLN 29 CO 1.28 0.48 -0.52 -0.65 -0.95 0.00 0.00 178.83 178.48 2d8h s GLN 30 N -3.40 3.09 -0.12 1.46 -0.21 -1.26 -5.07 119.66 114.14 2d8h s GLN 30 Ca 0.01 -0.85 -0.29 0.00 0.02 0.00 0.00 55.36 54.24 2d8h s GLN 30 Cb 0.10 -2.72 -0.04 0.00 1.00 0.00 0.00 33.01 31.36 2d8h s GLN 30 CO 0.72 0.46 1.54 -1.25 -2.12 0.00 0.00 175.29 174.64 2d8h s PRO 31 N -3.45 4.10 0.00 2.91 0.04 -1.26 -2.77 135.00 134.58 2d8h s PRO 31 Ca 0.33 1.92 0.00 0.00 0.04 0.00 0.00 61.00 63.29 2d8h s PRO 31 Cb -0.10 -3.94 0.00 0.00 0.04 0.00 0.00 34.50 30.50 2d8h s PRO 31 CO 0.26 -0.92 0.00 0.41 0.04 0.00 0.00 177.00 176.79 2d8h n GLY 32 N 4.12 2.16 1.82 0.56 0.00 -1.26 -5.10 105.19 107.50 2d8h n GLY 32 Ca 0.17 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.02 2d8h n GLY 32 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2d8h n ASP 33 N 0.00 -2.94 -4.41 1.61 9.92 -1.11 -3.48 116.55 116.14 2d8h n ASP 33 Ca 0.00 -0.56 -0.28 0.00 -0.53 0.00 0.00 54.79 53.42 2d8h n ASP 33 Cb 0.00 -0.56 -0.12 0.00 -0.64 0.00 0.00 41.12 39.80 2d8h n ASP 33 CO 0.00 0.00 0.00 -0.22 0.13 0.00 0.00 177.20 177.11 2d8h s LEU 34 N 0.00 2.39 -0.19 0.64 2.96 -0.87 -4.19 118.68 119.42 2d8h s LEU 34 Ca 0.38 -0.82 -0.01 0.00 -0.22 0.00 0.00 54.13 53.46 2d8h s LEU 34 Cb -0.06 -1.18 0.01 0.00 0.50 0.00 0.00 46.19 45.46 2d8h s LEU 34 CO 0.31 0.14 -0.13 0.20 -1.32 0.00 0.00 176.35 175.55 2d8h s ASN 35 N -2.45 3.63 0.27 3.68 -0.87 -1.26 -2.94 114.94 115.00 2d8h s ASN 35 Ca 0.18 -0.53 0.00 0.00 -1.57 0.00 0.00 52.86 50.94 2d8h s ASN 35 Cb -0.09 -1.59 -0.03 0.00 -0.02 0.00 0.00 41.25 39.53 2d8h s ASN 35 CO 0.08 -0.00 0.26 0.72 -2.57 0.00 0.00 177.10 175.59 2d8h s PHE 36 N 1.33 1.25 0.14 2.20 -0.71 -1.20 -4.98 117.98 116.02 2d8h s PHE 36 Ca 0.05 -1.39 0.05 0.00 -1.04 0.00 0.00 56.93 54.59 2d8h s PHE 36 Cb -0.14 -0.46 -0.04 0.00 -1.21 0.00 0.00 43.02 41.17 2d8h s PHE 36 CO -0.08 -0.82 -0.12 -0.65 -1.34 0.00 0.00 175.22 172.21 2d8h s GLN 37 N -3.76 1.04 -0.52 1.99 -0.21 -1.26 -2.30 119.66 114.63 2d8h s GLN 37 Ca 0.37 -1.36 -0.30 0.00 0.02 0.00 0.00 55.36 54.08 2d8h s GLN 37 Cb 0.04 -0.73 -0.11 0.00 1.00 0.00 0.00 33.01 33.21 2d8h s GLN 37 CO 0.18 0.11 2.38 0.00 -2.12 0.00 0.00 175.29 175.84 2d8h n ALA 38 N 0.10 0.87 0.00 6.09 0.00 -1.23 -0.52 120.51 125.82 2d8h n ALA 38 Ca -0.12 -0.44 0.00 0.00 0.00 0.00 0.00 53.44 52.88 2d8h n ALA 38 Cb 0.59 -2.76 0.00 0.00 0.00 0.00 0.00 19.45 17.28 2d8h n ALA 38 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2d8h n GLY 39 N 6.28 1.95 3.65 0.00 0.00 0.38 -4.93 105.19 112.53 2d8h n GLY 39 Ca 0.44 -0.65 -0.48 0.00 0.00 0.00 0.00 46.02 45.33 2d8h n GLY 39 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2d8h n ASP 40 N 0.00 2.80 -4.70 1.61 9.92 0.32 -4.27 116.55 122.22 2d8h n ASP 40 Ca 0.00 1.08 -0.42 0.00 -0.53 0.00 0.00 54.79 54.92 2d8h n ASP 40 Cb 0.00 -1.36 -0.03 0.00 -0.64 0.00 0.00 41.12 39.08 2d8h n ASP 40 CO 0.00 0.00 0.00 -0.13 0.13 0.00 0.00 177.20 177.20 2d8h s ARG 41 N 1.20 4.49 -0.17 -1.24 3.00 -1.26 -2.49 118.95 122.48 2d8h s ARG 41 Ca 0.82 1.26 -0.03 0.00 0.00 0.00 0.00 55.73 57.78 2d8h s ARG 41 Cb -0.75 -3.48 -0.02 0.00 0.00 0.00 0.00 34.95 30.70 2d8h s ARG 41 CO 0.42 -0.09 -0.06 0.42 0.00 0.00 0.00 175.30 175.99 2d8h s ILE 42 N 1.22 3.59 -0.76 1.52 1.01 -0.46 -4.76 121.20 122.57 2d8h s ILE 42 Ca 0.47 -0.45 -0.26 0.00 0.00 0.00 0.00 60.65 60.40 2d8h s ILE 42 Cb -0.19 -2.58 0.04 0.00 0.01 0.00 0.00 42.46 39.73 2d8h s ILE 42 CO 0.23 0.48 1.27 -0.89 0.00 0.00 0.00 174.94 176.03 2d8h s THR 43 N 0.63 3.79 -0.15 2.92 2.01 0.70 -2.73 115.64 122.81 2d8h s THR 43 Ca -0.04 0.24 -0.29 0.00 0.31 0.00 0.00 61.69 61.92 2d8h s THR 43 Cb -0.15 -4.91 -0.05 0.00 0.01 0.00 0.00 72.50 67.40 2d8h s THR 43 CO 0.03 -1.83 1.87 -0.69 -0.69 0.00 0.00 174.62 173.31 2d8h s VAL 44 N 5.53 3.32 -0.20 3.82 1.01 0.12 -0.45 120.40 133.54 2d8h s VAL 44 Ca 0.35 0.37 0.04 0.00 0.00 0.00 0.00 61.98 62.74 2d8h s VAL 44 Cb -0.08 -3.33 -0.15 0.00 0.00 0.00 0.00 36.38 32.82 2d8h s VAL 44 CO 0.12 -0.13 -0.14 2.30 0.00 0.00 0.00 175.10 177.25 2d8h n ILE 45 N 6.51 1.20 -3.59 2.22 -5.35 -0.66 -2.16 119.36 117.53 2d8h n ILE 45 Ca 0.22 -0.51 -0.16 0.00 -0.27 0.00 0.00 62.75 62.03 2d8h n ILE 45 Cb 0.44 -1.11 -0.14 0.00 -1.74 0.00 0.00 39.64 37.09 2d8h n ILE 45 CO 0.00 0.00 0.00 -0.55 -1.76 0.00 0.00 176.55 174.24 2d8h s SER 46 N -5.85 0.90 0.34 7.28 0.15 -0.74 -4.99 113.70 110.79 2d8h s SER 46 Ca -0.25 0.18 0.06 0.00 0.70 0.00 0.00 55.95 56.64 2d8h s SER 46 Cb 0.07 0.44 -0.03 0.00 -1.71 0.00 0.00 66.02 64.79 2d8h s SER 46 CO 0.52 -0.28 0.23 -1.59 1.20 0.00 0.00 173.24 173.32 2d8h s LYS 47 N 2.34 1.77 0.41 5.44 -2.85 -1.26 -0.11 119.74 125.48 2d8h s LYS 47 Ca 0.04 -2.04 0.05 0.00 -1.00 0.00 0.00 55.97 53.03 2d8h s LYS 47 Cb -0.14 0.06 -0.06 0.00 -2.06 0.00 0.00 37.83 35.63 2d8h s LYS 47 CO -0.09 -0.59 0.02 0.95 0.10 0.00 0.00 175.35 175.74 2d8h s THR 48 N -3.43 1.70 0.00 3.79 -4.23 -1.26 -5.02 115.64 107.19 2d8h s THR 48 Ca 0.36 -2.00 -0.04 0.00 -1.18 0.00 0.00 61.69 58.82 2d8h s THR 48 Cb 0.03 -2.81 -0.20 0.00 1.34 0.00 0.00 72.50 70.86 2d8h s THR 48 CO 0.23 0.00 3.08 -0.90 -0.54 0.00 0.00 174.62 176.49 2d8h n ASP 49 N -0.99 4.91 -3.63 3.99 5.75 -1.26 -4.73 116.55 120.59 2d8h n ASP 49 Ca -0.07 -2.39 -0.12 0.00 -0.01 0.00 0.00 54.79 52.20 2d8h n ASP 49 Cb 0.67 -1.27 -0.07 0.00 -1.03 0.00 0.00 41.12 39.42 2d8h n ASP 49 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 2d8h s SER 50 N 2.05 -0.63 -0.13 -1.12 1.04 -1.26 -5.08 113.70 108.57 2d8h s SER 50 Ca 0.49 1.21 -0.16 0.00 0.48 0.00 0.00 55.95 57.97 2d8h s SER 50 Cb 0.23 1.23 -0.14 0.00 0.10 0.00 0.00 66.02 67.44 2d8h s SER 50 CO 0.00 -0.21 0.36 1.12 0.98 0.00 0.00 173.24 175.49 2d8h h HIS 51 N 4.73 0.00 -1.01 5.02 2.07 -1.96 -3.34 115.15 120.66 2d8h h HIS 51 Ca -0.29 0.00 0.38 0.00 -2.85 0.00 0.00 60.37 57.62 2d8h h HIS 51 Cb 1.17 0.00 -0.17 0.00 2.57 0.00 0.00 27.41 30.98 2d8h h HIS 51 CO 0.35 0.62 0.56 0.74 -3.07 0.00 0.00 177.93 177.13 2d8h h PHE 52 N -1.00 0.86 -4.02 6.12 0.04 -1.98 -3.16 116.94 113.80 2d8h h PHE 52 Ca -0.04 0.04 -0.49 0.00 2.80 0.00 0.00 57.97 60.28 2d8h h PHE 52 Cb 0.64 -0.21 0.17 0.00 2.20 0.00 0.00 35.95 38.75 2d8h h PHE 52 CO 0.12 -0.35 0.21 -0.51 -0.60 0.00 0.00 178.31 177.17 2d8h s ASP 53 N -4.66 3.03 -0.03 2.17 1.11 -1.25 -4.67 116.67 112.36 2d8h s ASP 53 Ca -0.09 1.73 -0.17 0.00 0.18 0.00 0.00 52.55 54.20 2d8h s ASP 53 Cb 0.32 -2.35 -0.05 0.00 1.07 0.00 0.00 42.92 41.91 2d8h s ASP 53 CO 0.79 -2.96 0.46 0.26 1.18 0.00 0.00 175.17 174.90 2d8h s TRP 54 N -2.77 3.66 0.42 4.23 0.52 -1.26 -3.10 118.94 120.64 2d8h s TRP 54 Ca 0.65 1.00 0.07 0.00 0.02 0.00 0.00 56.10 57.84 2d8h s TRP 54 Cb -0.20 -2.42 -0.03 0.00 -1.15 0.00 0.00 33.47 29.67 2d8h s TRP 54 CO 0.58 0.46 0.30 -1.58 0.02 0.00 0.00 176.95 176.73 2d8h s TRP 55 N -0.45 2.62 -0.24 -1.98 0.51 0.81 -4.78 118.94 115.43 2d8h s TRP 55 Ca 0.25 -0.55 0.00 0.00 -2.12 0.00 0.00 56.10 53.69 2d8h s TRP 55 Cb -0.17 -2.08 0.03 0.00 -0.81 0.00 0.00 33.47 30.45 2d8h s TRP 55 CO 0.13 -0.02 -0.10 -2.00 -0.51 0.00 0.00 176.95 174.45 2d8h s GLU 56 N -4.05 2.73 0.41 4.98 2.12 0.84 -0.72 118.70 125.01 2d8h s GLU 56 Ca 0.45 -1.03 0.03 0.00 0.36 0.00 0.00 54.97 54.78 2d8h s GLU 56 Cb -0.00 -2.87 -0.03 0.00 0.26 0.00 0.00 34.13 31.49 2d8h s GLU 56 CO 0.25 -0.40 0.09 0.20 -0.54 0.00 0.00 175.26 174.87 2d8h s GLY 57 N 1.26 2.59 -0.03 -1.50 0.00 -1.06 -1.66 107.32 106.92 2d8h s GLY 57 Ca -0.01 -1.26 0.05 0.00 0.00 0.00 0.00 44.72 43.51 2d8h s GLY 57 CO -0.07 -1.89 -0.20 0.54 0.00 0.00 0.00 173.10 171.48 2d8h s LYS 58 N -3.77 1.87 -0.05 2.90 1.02 0.40 -2.72 119.74 119.40 2d8h s LYS 58 Ca 0.23 -0.71 -0.02 0.00 0.02 0.00 0.00 55.97 55.49 2d8h s LYS 58 Cb 0.04 -1.69 0.04 0.00 -0.52 0.00 0.00 37.83 35.70 2d8h s LYS 58 CO 0.13 0.35 0.09 -1.17 -0.92 0.00 0.00 175.35 173.83 2d8h s LEU 59 N -0.21 0.77 -1.63 3.17 2.96 0.65 -0.22 118.68 124.18 2d8h s LEU 59 Ca 0.01 0.18 -0.13 0.00 -0.22 0.00 0.00 54.13 53.98 2d8h s LEU 59 Cb -0.10 0.15 0.11 0.00 0.50 0.00 0.00 46.19 46.84 2d8h s LEU 59 CO 0.01 -0.15 0.60 0.54 -1.32 0.00 0.00 176.35 176.03 2d8h n ARG 60 N 4.35 -2.80 0.00 1.98 5.12 -1.26 0.12 116.66 124.17 2d8h n ARG 60 Ca -0.24 0.34 0.00 0.00 -1.93 0.00 0.00 57.85 56.01 2d8h n ARG 60 Cb 0.51 -4.78 0.00 0.00 -1.16 0.00 0.00 32.46 27.03 2d8h n ARG 60 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2d8h n GLY 61 N -1.64 2.83 3.80 -0.13 0.00 -1.26 -4.99 105.19 103.80 2d8h n GLY 61 Ca -0.06 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.65 2d8h n GLY 61 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2d8h s GLN 62 N -0.07 2.75 -0.07 1.61 -1.52 0.32 -5.07 119.66 117.62 2d8h s GLN 62 Ca 0.00 1.03 -0.08 0.00 -1.95 0.00 0.00 55.36 54.36 2d8h s GLN 62 Cb 0.00 -1.96 0.02 0.00 -0.22 0.00 0.00 33.01 30.85 2d8h s GLN 62 CO 0.00 -1.25 0.22 0.99 -0.25 0.00 0.00 175.29 175.00 2d8h s THR 63 N -2.97 0.02 0.00 -0.19 2.01 -1.26 -0.25 115.64 112.99 2d8h s THR 63 Ca 0.59 -0.14 0.00 0.00 0.31 0.00 0.00 61.69 62.46 2d8h s THR 63 Cb -0.15 -0.36 0.00 0.00 0.01 0.00 0.00 72.50 72.00 2d8h s THR 63 CO 0.54 -0.07 0.00 0.61 -0.69 0.00 0.00 174.62 175.01 2d8h n GLY 64 N 2.62 -0.36 3.89 4.40 0.00 -1.10 -4.62 105.19 110.01 2d8h n GLY 64 Ca -0.15 -0.95 -0.30 0.00 0.00 0.00 0.00 46.02 44.63 2d8h n GLY 64 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2d8h s ILE 65 N -2.00 4.95 -0.05 -0.61 -4.36 -1.23 -2.55 121.20 115.36 2d8h s ILE 65 Ca 0.00 0.29 -0.29 0.00 -0.26 0.00 0.00 60.65 60.39 2d8h s ILE 65 Cb 0.00 -3.69 0.09 0.00 1.25 0.00 0.00 42.46 40.11 2d8h s ILE 65 CO 0.00 -0.26 0.79 0.72 0.24 0.00 0.00 174.94 176.43 2d8h s PHE 66 N -2.03 -0.52 -0.04 1.37 -0.12 0.10 -2.04 117.98 114.71 2d8h s PHE 66 Ca 0.46 0.76 -0.30 0.00 -0.05 0.00 0.00 56.93 57.80 2d8h s PHE 66 Cb -0.11 0.46 -0.05 0.00 -0.63 0.00 0.00 43.02 42.69 2d8h s PHE 66 CO 0.27 -0.55 1.48 -1.25 -0.05 0.00 0.00 175.22 175.12 2d8h s PRO 67 N -1.74 4.23 0.59 1.99 0.04 -1.26 -0.14 135.00 138.71 2d8h s PRO 67 Ca -0.05 2.02 0.39 0.00 0.04 0.00 0.00 61.00 63.41 2d8h s PRO 67 Cb -0.00 -3.74 2.13 0.00 0.04 0.00 0.00 34.50 32.93 2d8h s PRO 67 CO 0.02 -0.70 2.20 0.00 0.04 0.00 0.00 177.00 178.56 2d8h h ALA 68 N 8.48 1.00 0.00 8.56 0.00 -1.50 0.13 119.26 135.94 2d8h h ALA 68 Ca -0.37 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.54 2d8h h ALA 68 Cb 1.17 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.96 2d8h h ALA 68 CO 0.93 -0.00 0.00 0.27 0.00 0.00 0.00 179.25 180.45 2d8h n ASN 69 N -2.88 0.65 0.00 0.00 0.23 -1.25 -1.88 115.26 110.12 2d8h n ASN 69 Ca -0.03 0.66 0.12 0.00 -0.53 0.00 0.00 54.58 54.80 2d8h n ASN 69 Cb 0.07 -0.79 0.20 0.00 -2.08 0.00 0.00 39.78 37.17 2d8h n ASN 69 CO 0.00 0.00 0.00 -1.22 -0.93 0.00 0.00 177.26 175.11 2d8h n TYR 70 N -2.21 0.01 -4.50 -2.53 4.02 0.03 -4.91 117.16 107.08 2d8h n TYR 70 Ca 0.02 0.00 -0.24 0.00 -0.01 0.00 0.00 57.90 57.68 2d8h n TYR 70 Cb 0.23 -0.23 -0.06 0.00 -0.02 0.00 0.00 39.34 39.27 2d8h n TYR 70 CO 0.00 0.00 0.00 1.33 -1.01 0.00 0.00 176.86 177.18 2d8h n VAL 71 N -1.52 0.00 -3.73 -0.72 0.24 -0.79 0.16 118.33 111.98 2d8h n VAL 71 Ca 0.05 -2.05 -0.12 0.00 -2.04 0.00 0.00 64.34 60.18 2d8h n VAL 71 Cb 0.34 0.63 -0.11 0.00 -1.47 0.00 0.00 33.84 33.23 2d8h n VAL 71 CO 0.00 0.00 0.00 0.28 -2.14 0.00 0.00 176.83 174.97 2d8h s THR 72 N -2.77 -0.01 -0.33 3.34 -1.32 -1.06 -4.76 115.64 108.74 2d8h s THR 72 Ca 0.12 0.03 0.07 0.00 -1.21 0.00 0.00 61.69 60.71 2d8h s THR 72 Cb 0.01 -0.54 0.55 0.00 -1.51 0.00 0.00 72.50 71.00 2d8h s THR 72 CO 0.08 0.01 1.57 1.15 -2.21 0.00 0.00 174.62 175.23 2d8h n MET 73 N 3.31 1.93 -1.02 7.08 0.00 -1.26 -2.36 117.12 124.80 2d8h n MET 73 Ca -0.16 -3.16 -0.35 0.00 0.00 0.00 0.00 57.70 54.03 2d8h n MET 73 Cb 0.57 -1.90 -0.02 0.00 0.00 0.00 0.00 33.22 31.86 2d8h n MET 73 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 175.97 176.24 2d8h n ASN 74 N -1.13 -0.87 -4.63 3.17 0.23 -1.26 -4.87 115.26 105.90 2d8h n ASN 74 Ca 0.40 0.82 -0.39 0.00 -0.53 0.00 0.00 54.58 54.88 2d8h n ASN 74 Cb 1.19 -0.69 -0.08 0.00 -2.08 0.00 0.00 39.78 38.12 2d8h n ASN 74 CO 0.00 0.00 0.00 -0.44 -0.93 0.00 0.00 177.26 175.89 2d8h s SER 75 N -0.69 6.35 0.00 0.53 0.01 -1.26 -4.95 113.70 113.68 2d8h s SER 75 Ca 0.47 0.41 0.00 0.00 1.31 0.00 0.00 55.95 58.14 2d8h s SER 75 Cb -0.68 -2.23 0.00 0.00 0.21 0.00 0.00 66.02 63.32 2d8h s SER 75 CO 0.41 -0.17 0.00 0.61 0.41 0.00 0.00 173.24 174.50 2d8h n GLY 76 N 4.37 0.04 3.77 3.44 0.00 -1.26 -5.13 105.19 110.41 2d8h n GLY 76 Ca -0.08 -1.32 -0.33 0.00 0.00 0.00 0.00 46.02 44.30 2d8h n GLY 76 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2d8h s PRO 77 N -2.00 2.68 0.62 1.61 0.04 -1.26 -5.04 135.00 131.65 2d8h s PRO 77 Ca 0.00 1.34 -0.07 0.00 0.04 0.00 0.00 61.00 62.31 2d8h s PRO 77 Cb 0.00 -1.94 0.01 0.00 0.04 0.00 0.00 34.50 32.61 2d8h s PRO 77 CO 0.00 -1.34 0.95 -1.54 0.04 0.00 0.00 177.00 175.12 2d8h s SER 78 N -2.75 5.58 0.19 6.66 1.04 -1.26 -5.07 113.70 118.10 2d8h s SER 78 Ca 0.66 0.84 -0.17 0.00 0.48 0.00 0.00 55.95 57.76 2d8h s SER 78 Cb -0.20 -1.79 -0.08 0.00 0.10 0.00 0.00 66.02 64.05 2d8h s SER 78 CO 0.45 -1.12 0.65 -0.55 0.98 0.00 0.00 173.24 173.65 2d8h s SER 79 N -4.31 6.94 0.00 7.02 0.15 -1.26 -5.30 113.70 116.95 2d8h s SER 79 Ca 0.55 1.26 0.00 0.00 0.70 0.00 0.00 55.95 58.46 2d8h s SER 79 Cb -0.11 -2.36 0.00 0.00 -1.71 0.00 0.00 66.02 61.84 2d8h s SER 79 CO 0.47 0.05 0.04 0.61 1.20 0.00 0.00 173.24 175.61