#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1seb n ASP 2 N 0.00 3.50 0.05 1.61 -0.08 -1.26 -4.84 116.55 115.53 1seb n ASP 2 Ca 0.00 0.51 0.12 0.00 -1.51 0.00 0.00 54.79 53.91 1seb n ASP 2 Cb 0.00 -1.51 0.23 0.00 2.34 0.00 0.00 41.12 42.18 1seb n ASP 2 CO 0.00 0.00 0.00 0.35 0.12 0.00 0.00 177.20 177.67 1seb n THR 3 N 6.77 0.27 -1.68 5.18 -2.24 -1.26 -4.96 114.28 116.37 1seb n THR 3 Ca 0.27 -0.19 -0.45 0.00 -2.27 0.00 0.00 64.05 61.40 1seb n THR 3 Cb 0.41 -0.09 -0.03 0.00 -2.10 0.00 0.00 70.33 68.51 1seb n THR 3 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1seb n ARG 4 N -1.94 2.13 -2.11 -0.78 1.74 -1.26 -4.94 116.66 109.49 1seb n ARG 4 Ca 0.04 0.76 -0.40 0.00 -0.77 0.00 0.00 57.85 57.48 1seb n ARG 4 Cb 0.41 -2.47 -0.01 0.00 -1.02 0.00 0.00 32.46 29.36 1seb n ARG 4 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 1seb s PRO 5 N 0.13 4.15 0.23 5.56 0.04 -1.26 -5.02 135.00 138.83 1seb s PRO 5 Ca 0.72 2.15 0.07 0.00 0.04 0.00 0.00 61.00 63.98 1seb s PRO 5 Cb -0.65 -2.89 -0.04 0.00 0.04 0.00 0.00 34.50 30.96 1seb s PRO 5 CO 0.45 -0.33 0.10 1.03 0.04 0.00 0.00 177.00 178.28 1seb s ARG 6 N -2.04 2.65 -0.03 4.56 1.81 -1.26 -5.11 118.95 119.53 1seb s ARG 6 Ca 0.53 -1.13 0.01 0.00 -1.72 0.00 0.00 55.73 53.42 1seb s ARG 6 Cb -0.38 -2.43 0.01 0.00 -0.45 0.00 0.00 34.95 31.71 1seb s ARG 6 CO 0.50 0.41 -0.04 -0.06 -0.68 0.00 0.00 175.30 175.43 1seb s PHE 7 N -2.05 0.59 0.00 -0.53 0.08 -1.26 -5.12 117.98 109.69 1seb s PHE 7 Ca 0.31 -0.13 0.04 0.00 0.12 0.00 0.00 56.93 57.27 1seb s PHE 7 Cb -0.08 -0.50 -0.01 0.00 -0.57 0.00 0.00 43.02 41.85 1seb s PHE 7 CO 0.22 -0.12 -0.13 -1.17 -0.10 0.00 0.00 175.22 173.93 1seb s LEU 8 N 0.59 2.07 -0.03 -0.37 2.96 -1.26 -5.11 118.68 117.53 1seb s LEU 8 Ca -0.07 -0.29 0.05 0.00 -0.22 0.00 0.00 54.13 53.60 1seb s LEU 8 Cb -0.11 -0.61 -0.01 0.00 0.50 0.00 0.00 46.19 45.96 1seb s LEU 8 CO -0.00 0.11 -0.18 0.86 -1.32 0.00 0.00 176.35 175.82 1seb s TRP 9 N -0.46 1.68 -0.01 5.38 -0.11 -1.26 -3.70 118.94 120.46 1seb s TRP 9 Ca 0.04 -0.39 0.01 0.00 1.22 0.00 0.00 56.10 56.97 1seb s TRP 9 Cb -0.06 -1.10 0.00 0.00 -1.50 0.00 0.00 33.47 30.82 1seb s TRP 9 CO 0.00 -0.09 -0.02 -1.14 -4.62 0.00 0.00 176.95 171.08 1seb s GLN 10 N -0.21 0.26 -0.10 5.86 0.74 -1.05 -5.04 119.66 120.12 1seb s GLN 10 Ca 0.02 -0.07 0.01 0.00 0.05 0.00 0.00 55.36 55.37 1seb s GLN 10 Cb -0.09 -0.29 0.02 0.00 1.10 0.00 0.00 33.01 33.75 1seb s GLN 10 CO 0.01 0.02 -0.09 -1.17 -0.55 0.00 0.00 175.29 173.50 1seb s LEU 11 N 0.18 1.36 -0.04 3.68 2.96 -1.26 -2.13 118.68 123.44 1seb s LEU 11 Ca -0.02 -0.30 0.06 0.00 -0.22 0.00 0.00 54.13 53.66 1seb s LEU 11 Cb -0.04 -0.84 -0.01 0.00 0.50 0.00 0.00 46.19 45.80 1seb s LEU 11 CO -0.00 -0.06 -0.24 -0.54 -1.32 0.00 0.00 176.35 174.19 1seb s LYS 12 N 1.32 2.18 -0.14 1.98 1.02 -0.82 -4.99 119.74 120.29 1seb s LYS 12 Ca -0.02 -0.85 0.02 0.00 0.02 0.00 0.00 55.97 55.14 1seb s LYS 12 Cb -0.14 -1.96 0.01 0.00 -0.52 0.00 0.00 37.83 35.22 1seb s LYS 12 CO -0.04 0.43 -0.21 -0.06 -0.92 0.00 0.00 175.35 174.55 1seb s PHE 13 N -0.32 2.68 -0.11 3.18 0.40 -1.26 -0.59 117.98 121.96 1seb s PHE 13 Ca 0.02 -1.26 0.03 0.00 -0.60 0.00 0.00 56.93 55.12 1seb s PHE 13 Cb -0.11 -1.82 0.01 0.00 0.51 0.00 0.00 43.02 41.60 1seb s PHE 13 CO 0.01 -0.57 -0.21 -1.21 0.70 0.00 0.00 175.22 173.95 1seb s GLU 14 N 0.76 2.79 -0.32 0.44 2.02 0.20 -4.98 118.70 119.62 1seb s GLU 14 Ca -0.08 -0.78 -0.08 0.00 0.02 0.00 0.00 54.97 54.05 1seb s GLU 14 Cb -0.16 -2.19 0.01 0.00 0.10 0.00 0.00 34.13 31.89 1seb s GLU 14 CO -0.00 0.07 0.12 0.00 0.02 0.00 0.00 175.26 175.46 1seb s HIS 16 N 1.51 3.21 -0.15 0.00 3.76 0.16 -4.95 115.29 118.83 1seb s HIS 16 Ca 0.02 0.02 -0.04 0.00 -0.15 0.00 0.00 55.06 54.91 1seb s HIS 16 Cb -0.18 -2.30 -0.03 0.00 1.11 0.00 0.00 32.58 31.18 1seb s HIS 16 CO 0.04 -0.13 -0.02 -0.06 -0.85 0.00 0.00 174.74 173.72 1seb s PHE 17 N 1.45 3.06 -0.05 1.40 0.08 -1.26 -1.70 117.98 120.96 1seb s PHE 17 Ca 0.07 -0.22 0.06 0.00 0.12 0.00 0.00 56.93 56.96 1seb s PHE 17 Cb -0.15 -1.96 -0.01 0.00 -0.57 0.00 0.00 43.02 40.33 1seb s PHE 17 CO 0.07 0.02 -0.24 -0.06 -0.10 0.00 0.00 175.22 174.91 1seb s PHE 18 N 0.28 2.32 -0.99 0.36 0.40 0.71 -4.78 117.98 116.28 1seb s PHE 18 Ca -0.02 -0.64 -0.13 0.00 -0.60 0.00 0.00 56.93 55.54 1seb s PHE 18 Cb -0.14 -1.52 -0.00 0.00 0.51 0.00 0.00 43.02 41.88 1seb s PHE 18 CO 0.03 -0.18 0.72 -1.71 0.70 0.00 0.00 175.22 174.78 1seb n ASN 19 N 2.88 -5.56 0.00 1.36 5.15 -1.26 -1.37 115.26 116.45 1seb n ASN 19 Ca -0.17 -0.86 0.00 0.00 -0.60 0.00 0.00 54.58 52.95 1seb n ASN 19 Cb 0.52 -3.12 0.00 0.00 -0.53 0.00 0.00 39.78 36.65 1seb n ASN 19 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1seb n GLY 20 N -1.73 2.04 0.95 8.20 0.00 -1.26 -0.82 105.19 112.57 1seb n GLY 20 Ca -0.14 -0.18 0.02 0.00 0.00 0.00 0.00 46.02 45.72 1seb n GLY 20 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1seb n THR 21 N 0.00 1.92 0.01 2.61 -2.24 -1.25 -4.76 114.28 110.58 1seb n THR 21 Ca 0.00 -3.05 -0.11 0.00 -2.27 0.00 0.00 64.05 58.63 1seb n THR 21 Cb 0.00 -0.14 0.03 0.00 -2.10 0.00 0.00 70.33 68.12 1seb n THR 21 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 1seb h GLU 22 N 1.18 0.54 -4.56 -0.78 4.81 0.28 -3.41 114.58 112.65 1seb h GLU 22 Ca 0.01 -0.38 -0.52 0.00 -0.13 0.00 0.00 59.36 58.34 1seb h GLU 22 Cb 1.20 0.06 -0.34 0.00 0.63 0.00 0.00 28.75 30.30 1seb h GLU 22 CO 0.11 1.00 -0.82 1.03 -0.73 0.00 0.00 179.01 179.60 1seb s ARG 23 N -3.86 1.73 -0.02 1.92 0.52 -0.53 -5.01 118.95 113.71 1seb s ARG 23 Ca -0.07 -0.42 0.03 0.00 -0.52 0.00 0.00 55.73 54.74 1seb s ARG 23 Cb 0.11 -1.44 -0.00 0.00 0.52 0.00 0.00 34.95 34.14 1seb s ARG 23 CO 0.85 0.02 -0.09 0.08 0.02 0.00 0.00 175.30 176.18 1seb s VAL 24 N 0.69 0.76 -0.07 3.52 1.01 -1.26 -0.21 120.40 124.84 1seb s VAL 24 Ca -0.14 -0.38 -0.01 0.00 0.00 0.00 0.00 61.98 61.44 1seb s VAL 24 Cb -0.16 -0.65 0.03 0.00 0.00 0.00 0.00 36.38 35.59 1seb s VAL 24 CO 0.04 0.23 -0.01 -0.60 0.00 0.00 0.00 175.10 174.75 1seb s ARG 25 N -0.04 0.68 -0.12 2.72 3.52 -0.69 -4.97 118.95 120.05 1seb s ARG 25 Ca 0.01 0.07 -0.11 0.00 -0.13 0.00 0.00 55.73 55.56 1seb s ARG 25 Cb -0.06 -0.99 -0.05 0.00 -1.56 0.00 0.00 34.95 32.29 1seb s ARG 25 CO -0.00 -0.28 0.25 -1.17 -0.81 0.00 0.00 175.30 173.29 1seb s LEU 26 N 1.85 4.34 -0.19 -0.88 2.96 -1.26 -0.67 118.68 124.83 1seb s LEU 26 Ca 0.03 0.57 -0.02 0.00 -0.22 0.00 0.00 54.13 54.49 1seb s LEU 26 Cb -0.12 -2.29 0.06 0.00 0.50 0.00 0.00 46.19 44.33 1seb s LEU 26 CO -0.05 0.26 0.00 -0.22 -1.32 0.00 0.00 176.35 175.02 1seb s LEU 27 N -0.38 1.49 -0.13 -0.68 2.96 -0.49 -0.70 118.68 120.75 1seb s LEU 27 Ca 0.17 -0.82 -0.07 0.00 -0.22 0.00 0.00 54.13 53.19 1seb s LEU 27 Cb -0.13 -0.75 -0.04 0.00 0.50 0.00 0.00 46.19 45.77 1seb s LEU 27 CO 0.05 -0.27 0.12 -0.70 -1.32 0.00 0.00 176.35 174.23 1seb s GLU 28 N 1.74 3.47 -0.06 1.98 2.12 0.34 -0.62 118.70 127.67 1seb s GLU 28 Ca -0.01 -0.19 -0.05 0.00 0.36 0.00 0.00 54.97 55.08 1seb s GLU 28 Cb -0.17 -3.15 0.02 0.00 0.26 0.00 0.00 34.13 31.09 1seb s GLU 28 CO -0.07 0.70 0.15 -0.98 -0.54 0.00 0.00 175.26 174.52 1seb s ARG 29 N -0.82 0.15 -0.18 4.30 1.70 0.24 -0.35 118.95 124.00 1seb s ARG 29 Ca 0.14 0.24 -0.08 0.00 -0.47 0.00 0.00 55.73 55.55 1seb s ARG 29 Cb -0.12 0.03 -0.04 0.00 -0.57 0.00 0.00 34.95 34.24 1seb s ARG 29 CO 0.03 -0.05 0.10 0.00 -1.08 0.00 0.00 175.30 174.30 1seb s ILE 31 N 0.15 1.77 0.00 0.00 1.09 -0.90 -0.43 121.20 122.87 1seb s ILE 31 Ca 0.07 -0.78 0.00 0.00 -1.10 0.00 0.00 60.65 58.84 1seb s ILE 31 Cb -0.12 -1.60 0.00 0.00 -1.06 0.00 0.00 42.46 39.68 1seb s ILE 31 CO -0.00 0.49 0.00 0.00 -0.10 0.00 0.00 174.94 175.33 1seb n TYR 32 N 4.38 0.00 0.00 3.97 9.36 0.26 -2.53 117.16 132.60 1seb n TYR 32 Ca -0.19 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.03 1seb n TYR 32 Cb 0.51 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 39.22 1seb n TYR 32 CO 0.00 0.00 0.00 0.09 0.22 0.00 0.00 176.86 177.17 1seb n ASN 33 N 0.00 0.00 -0.21 2.98 3.02 -1.24 -4.11 115.26 115.70 1seb n ASN 33 Ca 0.00 0.48 0.03 0.00 -0.03 0.00 0.00 54.58 55.06 1seb n ASN 33 Cb 0.00 -0.47 0.04 0.00 -0.61 0.00 0.00 39.78 38.74 1seb n ASN 33 CO 0.00 0.00 0.00 1.67 -2.62 0.00 0.00 177.26 176.31 1seb n GLN 34 N -1.91 0.78 -3.85 3.52 7.27 -1.26 -4.89 117.38 117.04 1seb n GLN 34 Ca 0.00 -1.39 -0.36 0.00 0.07 0.00 0.00 57.00 55.32 1seb n GLN 34 Cb 0.00 -0.84 -0.13 0.00 2.41 0.00 0.00 30.24 31.68 1seb n GLN 34 CO 0.00 0.00 0.00 -2.00 0.07 0.00 0.00 177.06 175.13 1seb s GLU 35 N -0.91 3.29 -0.13 3.69 2.12 -1.26 -5.08 118.70 120.42 1seb s GLU 35 Ca 0.09 -0.70 -0.29 0.00 0.36 0.00 0.00 54.97 54.42 1seb s GLU 35 Cb 0.07 -3.15 -0.01 0.00 0.26 0.00 0.00 34.13 31.30 1seb s GLU 35 CO 0.01 -0.28 1.10 -2.00 -0.54 0.00 0.00 175.26 173.55 1seb s GLU 36 N 1.49 4.34 -0.21 4.30 2.12 -1.26 0.92 118.70 130.40 1seb s GLU 36 Ca 0.04 1.50 0.02 0.00 0.36 0.00 0.00 54.97 56.89 1seb s GLU 36 Cb -0.15 -3.60 -0.20 0.00 0.26 0.00 0.00 34.13 30.44 1seb s GLU 36 CO -0.01 -0.47 -0.02 -1.13 -0.54 0.00 0.00 175.26 173.09 1seb n SER 37 N 5.55 1.79 -3.85 -1.70 3.41 0.43 -4.07 113.62 115.19 1seb n SER 37 Ca 0.11 -0.02 -0.11 0.00 -0.26 0.00 0.00 58.87 58.59 1seb n SER 37 Cb 0.47 -0.38 -0.09 0.00 -0.26 0.00 0.00 64.21 63.95 1seb n SER 37 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1seb s VAL 38 N -2.53 0.10 0.18 -3.33 1.01 -1.23 0.14 120.40 114.74 1seb s VAL 38 Ca -0.28 -0.81 -0.17 0.00 0.00 0.00 0.00 61.98 60.72 1seb s VAL 38 Cb 0.08 -0.76 0.03 0.00 0.00 0.00 0.00 36.38 35.73 1seb s VAL 38 CO 0.67 -0.45 0.49 0.00 0.00 0.00 0.00 175.10 175.81 1seb s ARG 39 N -2.15 1.30 -0.15 2.72 1.70 -1.09 -0.72 118.95 120.58 1seb s ARG 39 Ca -0.08 -0.84 0.01 0.00 -0.47 0.00 0.00 55.73 54.35 1seb s ARG 39 Cb -0.03 0.50 0.02 0.00 -0.57 0.00 0.00 34.95 34.87 1seb s ARG 39 CO -0.02 -0.54 -0.18 0.12 -1.08 0.00 0.00 175.30 173.61 1seb s PHE 40 N -3.86 2.39 -0.20 5.89 2.19 0.52 -1.94 117.98 122.97 1seb s PHE 40 Ca 0.08 -1.29 -0.01 0.00 0.33 0.00 0.00 56.93 56.04 1seb s PHE 40 Cb -0.00 -1.69 0.01 0.00 -1.31 0.00 0.00 43.02 40.03 1seb s PHE 40 CO -0.05 -0.65 -0.13 0.34 1.83 0.00 0.00 175.22 176.56 1seb s ASP 41 N 1.17 3.67 0.61 6.13 -1.08 -1.26 -0.50 116.67 125.41 1seb s ASP 41 Ca -0.00 -0.58 0.29 0.00 -0.52 0.00 0.00 52.55 51.74 1seb s ASP 41 Cb -0.14 -1.59 1.57 0.00 -1.46 0.00 0.00 42.92 41.30 1seb s ASP 41 CO -0.07 -0.02 1.96 0.77 0.52 0.00 0.00 175.17 178.33 1seb h SER 42 N 8.01 0.00 1.17 -0.34 4.64 -1.29 0.26 113.55 126.00 1seb h SER 42 Ca -0.43 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.89 1seb h SER 42 Cb 1.14 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.23 1seb h SER 42 CO 0.62 0.00 0.00 0.44 -0.87 0.00 0.00 176.83 177.02 1seb h ASP 43 N 0.00 0.00 0.00 4.97 3.32 -1.95 -3.27 116.42 119.49 1seb h ASP 43 Ca 0.13 0.00 -0.33 0.00 0.02 0.00 0.00 57.03 56.85 1seb h ASP 43 Cb 0.87 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 40.37 1seb h ASP 43 CO -0.00 0.00 -2.23 0.52 -1.72 0.00 0.00 179.24 175.81 1seb n VAL 44 N -2.40 1.23 -0.01 -1.35 0.31 0.82 -5.04 118.33 111.89 1seb n VAL 44 Ca 0.04 -0.43 0.00 0.00 -0.01 0.00 0.00 64.34 63.93 1seb n VAL 44 Cb 0.34 -1.38 0.00 0.00 -0.91 0.00 0.00 33.84 31.89 1seb n VAL 44 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1seb n GLY 45 N 2.27 0.37 3.74 2.92 0.00 -0.63 -5.05 105.19 108.81 1seb n GLY 45 Ca -0.39 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.55 1seb n GLY 45 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1seb s GLU 46 N -0.98 1.67 0.54 1.61 -1.05 -1.26 -4.96 118.70 114.27 1seb s GLU 46 Ca 0.00 -1.04 -0.19 0.00 -0.15 0.00 0.00 54.97 53.60 1seb s GLU 46 Cb 0.00 0.56 -0.06 0.00 -0.44 0.00 0.00 34.13 34.19 1seb s GLU 46 CO 0.00 -0.74 1.08 0.71 0.95 0.00 0.00 175.26 177.26 1seb s TYR 47 N -3.94 2.85 -0.06 4.83 2.02 -1.26 -4.13 117.35 117.67 1seb s TYR 47 Ca 0.14 1.55 -0.02 0.00 -0.37 0.00 0.00 57.07 58.37 1seb s TYR 47 Cb -0.04 -3.14 0.04 0.00 -0.40 0.00 0.00 41.96 38.42 1seb s TYR 47 CO 0.06 -1.21 0.11 1.03 -1.57 0.00 0.00 175.55 173.97 1seb s ARG 48 N -3.49 0.01 0.25 -0.62 1.81 -0.82 -4.92 118.95 111.19 1seb s ARG 48 Ca 0.68 0.39 -0.30 0.00 -1.72 0.00 0.00 55.73 54.78 1seb s ARG 48 Cb -0.19 -0.29 -0.10 0.00 -0.45 0.00 0.00 34.95 33.92 1seb s ARG 48 CO 0.27 -0.24 1.46 0.00 -0.68 0.00 0.00 175.30 176.12 1seb s ALA 49 N 1.67 3.65 -0.14 2.13 0.00 -1.26 -2.67 121.76 125.15 1seb s ALA 49 Ca -0.03 1.36 0.02 0.00 0.00 0.00 0.00 51.96 53.32 1seb s ALA 49 Cb -0.12 -3.57 -0.24 0.00 0.00 0.00 0.00 23.12 19.19 1seb s ALA 49 CO -0.05 -0.77 0.30 0.28 0.00 0.00 0.00 175.76 175.52 1seb n VAL 50 N 2.37 1.64 -4.41 0.00 0.31 0.37 -4.91 118.33 113.70 1seb n VAL 50 Ca 0.07 -0.70 -0.21 0.00 -0.01 0.00 0.00 64.34 63.50 1seb n VAL 50 Cb 0.40 -1.36 -0.10 0.00 -0.91 0.00 0.00 33.84 31.87 1seb n VAL 50 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 1seb s THR 51 N -2.55 0.82 0.08 2.52 -4.23 -0.82 -4.98 115.64 106.47 1seb s THR 51 Ca -0.19 -2.00 0.26 0.00 -1.18 0.00 0.00 61.69 58.58 1seb s THR 51 Cb 0.07 -2.64 0.26 0.00 1.34 0.00 0.00 72.50 71.53 1seb s THR 51 CO 0.76 0.00 1.78 -0.33 -0.54 0.00 0.00 174.62 176.28 1seb h GLU 52 N 2.14 0.00 -0.02 3.99 4.39 -1.94 -2.35 114.58 120.79 1seb h GLU 52 Ca -0.38 0.00 -0.17 0.00 0.34 0.00 0.00 59.36 59.14 1seb h GLU 52 Cb 1.25 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.89 1seb h GLU 52 CO 0.63 0.00 -0.76 -0.07 -1.16 0.00 0.00 179.01 177.65 1seb h LEU 53 N 0.00 0.23 0.00 1.33 3.38 -1.96 -3.26 115.31 115.03 1seb h LEU 53 Ca 0.00 -0.16 0.00 0.00 0.09 0.00 0.00 57.88 57.81 1seb h LEU 53 Cb 0.14 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 40.82 1seb h LEU 53 CO 0.00 0.91 -0.19 1.23 0.09 0.00 0.00 178.44 180.48 1seb h GLY 54 N 1.75 0.00 -0.40 0.83 0.00 -1.50 -3.37 103.07 100.39 1seb h GLY 54 Ca -0.03 0.00 0.22 0.00 0.00 0.00 0.00 47.33 47.52 1seb h GLY 54 CO 0.11 0.00 0.20 0.07 0.00 0.00 0.00 176.54 176.92 1seb h ARG 55 N 0.00 0.20 -0.60 4.80 -0.00 -1.60 0.42 114.38 117.59 1seb h ARG 55 Ca 0.00 -0.01 0.01 0.00 -0.00 0.00 0.00 59.98 59.98 1seb h ARG 55 Cb 0.94 -0.04 -0.03 0.00 -0.00 0.00 0.00 29.97 30.83 1seb h ARG 55 CO 0.00 0.13 0.38 -1.35 -0.00 0.00 0.00 179.97 179.13 1seb h PRO 56 N 0.20 0.75 -0.07 0.08 0.11 -1.82 -0.14 132.00 131.12 1seb h PRO 56 Ca 0.52 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 66.57 1seb h PRO 56 Cb 1.01 -0.17 -0.00 0.00 0.11 0.00 0.00 31.00 31.95 1seb h PRO 56 CO -0.64 0.50 0.01 -0.44 -0.21 0.00 0.00 178.00 177.21 1seb h ASP 57 N 0.78 0.11 -0.59 -2.05 3.32 -1.04 0.21 116.42 117.15 1seb h ASP 57 Ca 0.23 -0.28 0.06 0.00 0.02 0.00 0.00 57.03 57.06 1seb h ASP 57 Cb -0.05 -0.03 -0.05 0.00 0.22 0.00 0.00 39.33 39.42 1seb h ASP 57 CO -0.07 0.36 0.31 0.00 -1.72 0.00 0.00 179.24 178.12 1seb h ALA 58 N 0.75 0.78 -0.55 3.45 0.00 -0.09 0.49 119.26 124.09 1seb h ALA 58 Ca 0.02 0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.89 1seb h ALA 58 Cb 0.30 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 1seb h ALA 58 CO 0.00 -0.04 0.09 0.93 0.00 0.00 0.00 179.25 180.24 1seb h GLU 59 N 0.58 0.91 0.48 0.00 5.08 -0.81 -1.94 114.58 118.88 1seb h GLU 59 Ca 0.27 -0.24 -0.02 0.00 -1.00 0.00 0.00 59.36 58.36 1seb h GLU 59 Cb 0.19 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.33 1seb h GLU 59 CO -0.19 0.88 -0.23 -0.92 -1.00 0.00 0.00 179.01 177.55 1seb h TYR 60 N 0.80 -0.60 -0.57 4.33 3.20 -0.47 -2.95 116.97 120.70 1seb h TYR 60 Ca 0.17 -0.01 0.09 0.00 3.14 0.00 0.00 58.73 62.11 1seb h TYR 60 Cb 0.41 0.20 -0.03 0.00 1.54 0.00 0.00 36.73 38.84 1seb h TYR 60 CO 0.03 -0.29 0.39 -1.49 -1.64 0.00 0.00 178.16 175.16 1seb h TRP 61 N -1.05 0.43 0.00 -3.82 6.55 -0.96 0.70 115.95 117.80 1seb h TRP 61 Ca -0.07 0.01 0.00 0.00 0.95 0.00 0.00 58.89 59.79 1seb h TRP 61 Cb 0.58 -0.14 0.00 0.00 -0.86 0.00 0.00 29.16 28.74 1seb h TRP 61 CO 0.01 0.21 0.00 0.09 -1.05 0.00 0.00 178.44 177.70 1seb n ASN 62 N -4.47 0.66 0.09 -3.49 3.02 -0.73 -2.51 115.26 107.82 1seb n ASN 62 Ca 0.09 0.63 -0.07 0.00 -0.03 0.00 0.00 54.58 55.20 1seb n ASN 62 Cb 0.35 -0.78 0.02 0.00 -0.61 0.00 0.00 39.78 38.76 1seb n ASN 62 CO 0.00 0.00 0.00 0.77 -2.62 0.00 0.00 177.26 175.41 1seb h SER 63 N 0.00 0.17 -1.18 6.41 4.64 -0.68 -3.40 113.55 119.51 1seb h SER 63 Ca 0.00 -0.13 -0.66 0.00 -0.47 0.00 0.00 61.79 60.53 1seb h SER 63 Cb 0.47 -0.05 -0.10 0.00 -0.31 0.00 0.00 62.40 62.41 1seb h SER 63 CO 0.00 0.92 1.79 -1.10 -0.87 0.00 0.00 176.83 177.57 1seb s GLN 64 N -3.25 3.84 0.63 4.77 -0.21 -1.05 -4.84 119.66 119.56 1seb s GLN 64 Ca -0.02 -1.75 0.35 0.00 0.02 0.00 0.00 55.36 53.96 1seb s GLN 64 Cb 0.11 -5.39 1.93 0.00 1.00 0.00 0.00 33.01 30.66 1seb s GLN 64 CO 0.81 -2.16 2.16 0.87 -2.12 0.00 0.00 175.29 174.85 1seb h LYS 65 N 8.37 0.00 0.47 2.91 1.79 -1.82 -1.96 116.57 126.32 1seb h LYS 65 Ca 0.33 0.00 -0.02 0.00 -2.18 0.00 0.00 60.65 58.79 1seb h LYS 65 Cb 0.93 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.57 1seb h LYS 65 CO 1.40 0.00 -0.31 0.38 -1.08 0.00 0.00 179.45 179.84 1seb h ASP 66 N 0.00 -0.79 0.27 0.86 2.03 -1.94 -2.26 116.42 114.59 1seb h ASP 66 Ca 0.03 0.05 0.01 0.00 -0.73 0.00 0.00 57.03 56.39 1seb h ASP 66 Cb 0.33 0.24 -0.03 0.00 -0.83 0.00 0.00 39.33 39.04 1seb h ASP 66 CO -0.00 -0.48 -0.38 0.25 -1.03 0.00 0.00 179.24 177.60 1seb h LEU 67 N -0.75 -1.08 -1.93 0.15 5.85 -1.70 -1.74 115.31 114.11 1seb h LEU 67 Ca -0.05 0.11 0.20 0.00 0.84 0.00 0.00 57.88 58.98 1seb h LEU 67 Cb 0.63 0.38 -0.03 0.00 0.37 0.00 0.00 40.66 42.01 1seb h LEU 67 CO 0.04 -0.50 0.60 -0.07 -0.34 0.00 0.00 178.44 178.17 1seb h LEU 68 N -0.71 0.00 0.13 2.25 3.38 -1.40 -1.09 115.31 117.86 1seb h LEU 68 Ca -0.01 0.00 -0.32 0.00 0.09 0.00 0.00 57.88 57.65 1seb h LEU 68 Cb 0.68 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.42 1seb h LEU 68 CO -0.14 0.00 -1.60 -0.33 0.09 0.00 0.00 178.44 176.46 1seb h GLU 69 N 0.00 0.27 -0.12 1.13 4.39 -0.71 -2.89 114.58 116.65 1seb h GLU 69 Ca 0.33 -0.46 -0.00 0.00 0.34 0.00 0.00 59.36 59.57 1seb h GLU 69 Cb 1.52 0.17 -0.01 0.00 -0.10 0.00 0.00 28.75 30.34 1seb h GLU 69 CO -0.00 1.13 0.07 0.37 -1.16 0.00 0.00 179.01 179.41 1seb h GLN 70 N 0.07 0.16 -0.46 2.33 -0.00 -0.84 -1.86 115.11 114.52 1seb h GLN 70 Ca -0.27 -0.02 -0.01 0.00 -0.00 0.00 0.00 58.65 58.35 1seb h GLN 70 Cb 2.03 -0.03 -0.02 0.00 0.00 0.00 0.00 27.48 29.46 1seb h GLN 70 CO 0.16 0.18 0.26 0.00 0.00 0.00 0.00 178.83 179.43 1seb h ARG 71 N 0.10 0.63 -0.20 1.69 2.47 -1.54 0.36 114.38 117.90 1seb h ARG 71 Ca 0.04 -0.07 0.03 0.00 -1.26 0.00 0.00 59.98 58.73 1seb h ARG 71 Cb 0.06 -0.13 -0.01 0.00 -1.65 0.00 0.00 29.97 28.24 1seb h ARG 71 CO -0.01 0.49 0.14 0.00 0.56 0.00 0.00 179.97 181.15 1seb h ARG 72 N 0.60 0.13 -0.01 0.04 3.08 -1.25 0.17 114.38 117.15 1seb h ARG 72 Ca 0.16 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.20 1seb h ARG 72 Cb 0.03 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.05 1seb h ARG 72 CO -0.03 0.08 -0.35 0.00 -1.07 0.00 0.00 179.97 178.61 1seb n ALA 73 N -2.54 3.26 -0.14 0.04 0.00 -0.73 -4.22 120.51 116.18 1seb n ALA 73 Ca 0.01 -0.39 0.11 0.00 0.00 0.00 0.00 53.44 53.17 1seb n ALA 73 Cb 0.18 -1.12 0.45 0.00 0.00 0.00 0.00 19.45 18.97 1seb n ALA 73 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1seb h ALA 74 N 3.46 1.94 0.00 0.00 0.00 0.15 0.21 119.26 125.02 1seb h ALA 74 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1seb h ALA 74 Cb 0.51 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1seb h ALA 74 CO 0.00 -0.10 0.00 -0.39 0.00 0.00 0.00 179.25 178.76 1seb h VAL 75 N 0.52 0.00 0.00 0.00 -1.51 -1.73 0.41 116.25 113.93 1seb h VAL 75 Ca 0.32 -0.13 -0.31 0.00 -1.23 0.00 0.00 66.70 65.36 1seb h VAL 75 Cb 0.56 0.97 -0.05 0.00 -2.13 0.00 0.00 31.29 30.64 1seb h VAL 75 CO -0.11 0.00 -2.06 0.47 -1.23 0.00 0.00 177.57 174.64 1seb n ASP 76 N -2.77 1.79 0.11 4.19 8.00 -0.66 -1.65 116.55 125.56 1seb n ASP 76 Ca -0.01 0.12 -0.03 0.00 0.71 0.00 0.00 54.79 55.58 1seb n ASP 76 Cb 0.13 -0.47 0.17 0.00 -0.02 0.00 0.00 41.12 40.93 1seb n ASP 76 CO 0.00 0.00 0.00 0.71 -0.39 0.00 0.00 177.20 177.52 1seb h THR 77 N -0.45 1.38 0.00 -3.53 1.35 -0.48 -3.05 112.91 108.13 1seb h THR 77 Ca -0.46 -1.90 -0.01 0.00 -0.55 0.00 0.00 66.41 63.49 1seb h THR 77 Cb 1.50 1.97 -0.00 0.00 -1.73 0.00 0.00 68.15 69.89 1seb h THR 77 CO -0.22 0.56 -0.64 0.00 -0.25 0.00 0.00 175.52 174.97 1seb n TYR 78 N -3.89 0.00 0.21 4.73 9.36 0.13 -4.39 117.16 123.31 1seb n TYR 78 Ca -0.02 0.00 -0.08 0.00 3.32 0.00 0.00 57.90 61.12 1seb n TYR 78 Cb 0.58 -0.31 -0.04 0.00 -0.63 0.00 0.00 39.34 38.95 1seb n TYR 78 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1seb h ARG 80 N -0.63 0.00 -0.13 0.00 3.08 -1.42 -1.40 114.38 113.87 1seb h ARG 80 Ca -0.06 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 59.95 1seb h ARG 80 Cb 0.42 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.47 1seb h ARG 80 CO 0.09 0.00 -0.08 1.25 -1.07 0.00 0.00 179.97 180.16 1seb h HIS 81 N 0.00 0.33 -0.42 3.04 2.76 -1.41 -2.23 115.15 117.23 1seb h HIS 81 Ca 0.03 -0.09 -0.12 0.00 -2.20 0.00 0.00 60.37 57.99 1seb h HIS 81 Cb 0.12 -0.07 -0.01 0.00 1.55 0.00 0.00 27.41 28.99 1seb h HIS 81 CO 0.00 0.64 -0.23 -0.91 -1.30 0.00 0.00 177.93 176.13 1seb h ASN 82 N -0.07 0.86 -0.67 3.26 2.35 -0.80 -1.35 115.58 119.16 1seb h ASN 82 Ca 0.03 -0.32 0.05 0.00 -0.55 0.00 0.00 56.30 55.51 1seb h ASN 82 Cb 0.56 -0.24 -0.04 0.00 0.05 0.00 0.00 38.32 38.66 1seb h ASN 82 CO 0.02 1.05 0.44 0.22 -1.65 0.00 0.00 177.43 177.52 1seb h TYR 83 N 0.73 0.74 -0.02 1.19 5.03 -1.20 -1.01 116.97 122.43 1seb h TYR 83 Ca 0.10 0.02 -0.19 0.00 2.58 0.00 0.00 58.73 61.24 1seb h TYR 83 Cb 0.76 -0.25 -0.01 0.00 1.55 0.00 0.00 36.73 38.79 1seb h TYR 83 CO 0.04 0.41 -0.81 0.78 -1.32 0.00 0.00 178.16 177.27 1seb h GLY 84 N 0.75 0.28 1.24 1.82 0.00 -1.03 0.36 103.07 106.49 1seb h GLY 84 Ca 0.28 -0.45 -0.18 0.00 0.00 0.00 0.00 47.33 46.98 1seb h GLY 84 CO -0.08 0.40 -0.55 -2.08 0.00 0.00 0.00 176.54 174.23 1seb h VAL 85 N 0.16 1.29 0.00 4.60 2.07 -0.61 -3.31 116.25 120.45 1seb h VAL 85 Ca -0.04 -1.75 0.00 0.00 0.82 0.00 0.00 66.70 65.74 1seb h VAL 85 Cb 1.40 1.66 0.00 0.00 -1.52 0.00 0.00 31.29 32.83 1seb h VAL 85 CO 0.13 0.56 -0.81 0.61 0.02 0.00 0.00 177.57 178.08 1seb n GLY 86 N 0.33 -1.10 0.35 2.17 0.00 -0.44 -4.73 105.19 101.77 1seb n GLY 86 Ca -0.04 -0.50 0.03 0.00 0.00 0.00 0.00 46.02 45.51 1seb n GLY 86 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1seb n GLU 87 N -1.52 -0.14 0.19 1.61 2.13 0.12 -1.75 120.64 121.27 1seb n GLU 87 Ca 0.04 1.46 0.03 0.00 0.66 0.00 0.00 57.16 59.36 1seb n GLU 87 Cb 0.34 -2.18 0.36 0.00 0.27 0.00 0.00 31.44 30.22 1seb n GLU 87 CO 0.00 0.00 0.00 0.66 -0.41 0.00 0.00 177.13 177.38 1seb h SER 88 N 0.00 0.00 -0.10 4.31 4.64 -1.85 0.24 113.55 120.79 1seb h SER 88 Ca 0.40 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.72 1seb h SER 88 Cb 0.64 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.73 1seb h SER 88 CO -0.96 0.38 0.00 2.22 -0.87 0.00 0.00 176.83 177.60 1seb n PHE 89 N -4.03 0.10 0.00 4.77 -1.74 -0.72 -4.26 117.46 111.59 1seb n PHE 89 Ca -0.02 -0.07 0.00 0.00 -0.56 0.00 0.00 57.45 56.81 1seb n PHE 89 Cb 0.42 -0.00 0.00 0.00 1.52 0.00 0.00 39.48 41.42 1seb n PHE 89 CO 0.00 0.00 0.00 0.25 -0.56 0.00 0.00 176.76 176.45 1seb n THR 90 N 1.06 0.00 -0.29 1.97 -2.24 -0.75 -4.52 114.28 109.51 1seb n THR 90 Ca 0.12 0.00 0.20 0.00 -2.27 0.00 0.00 64.05 62.10 1seb n THR 90 Cb 0.47 -0.30 0.49 0.00 -2.10 0.00 0.00 70.33 68.90 1seb n THR 90 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 1seb h VAL 91 N 0.00 0.61 -0.58 2.28 2.07 -1.66 0.21 116.25 119.18 1seb h VAL 91 Ca 0.00 -0.15 -0.08 0.00 0.82 0.00 0.00 66.70 67.29 1seb h VAL 91 Cb 0.00 0.13 -0.05 0.00 -1.52 0.00 0.00 31.29 29.86 1seb h VAL 91 CO 0.00 0.08 0.09 0.00 0.02 0.00 0.00 177.57 177.76 1seb n GLN 92 N -4.58 4.12 -2.46 1.57 1.13 0.84 -4.98 117.38 113.02 1seb n GLN 92 Ca 0.22 -3.10 -0.36 0.00 -1.94 0.00 0.00 57.00 51.83 1seb n GLN 92 Cb 0.77 -2.18 -0.03 0.00 0.11 0.00 0.00 30.24 28.91 1seb n GLN 92 CO 0.00 0.00 0.00 0.50 -1.44 0.00 0.00 177.06 176.12 1seb s ARG 93 N -2.88 3.91 -0.24 -1.09 3.52 0.06 -4.87 118.95 117.35 1seb s ARG 93 Ca 0.53 1.53 -0.04 0.00 -0.13 0.00 0.00 55.73 57.62 1seb s ARG 93 Cb 0.42 -2.33 0.13 0.00 -1.56 0.00 0.00 34.95 31.60 1seb s ARG 93 CO 0.14 -0.37 0.43 1.03 -0.81 0.00 0.00 175.30 175.72 1seb s ARG 94 N -2.82 0.39 -0.11 5.12 0.52 -1.26 -4.42 118.95 116.36 1seb s ARG 94 Ca 0.63 0.76 0.03 0.00 -0.52 0.00 0.00 55.73 56.64 1seb s ARG 94 Cb -0.22 -0.07 0.01 0.00 0.52 0.00 0.00 34.95 35.19 1seb s ARG 94 CO 0.27 -0.53 -0.22 0.08 0.02 0.00 0.00 175.30 174.92 1seb s VAL 95 N 2.63 1.93 0.46 3.52 1.01 -0.43 -4.95 120.40 124.56 1seb s VAL 95 Ca 0.10 -0.93 -0.20 0.00 0.00 0.00 0.00 61.98 60.95 1seb s VAL 95 Cb -0.14 -1.69 -0.10 0.00 0.00 0.00 0.00 36.38 34.45 1seb s VAL 95 CO -0.16 0.53 0.96 -0.70 0.00 0.00 0.00 175.10 175.73 1seb s GLU 96 N 0.55 4.14 0.37 2.72 2.12 -1.26 -2.11 118.70 125.22 1seb s GLU 96 Ca -0.14 1.07 0.00 0.00 0.36 0.00 0.00 54.97 56.27 1seb s GLU 96 Cb -0.17 -2.17 -0.03 0.00 0.26 0.00 0.00 34.13 32.03 1seb s GLU 96 CO 0.05 -0.11 0.57 -1.25 -0.54 0.00 0.00 175.26 173.98 1seb s PRO 97 N -3.45 3.42 -0.15 4.30 0.04 -1.26 -4.42 135.00 133.47 1seb s PRO 97 Ca 0.61 -0.36 -0.02 0.00 0.04 0.00 0.00 61.00 61.27 1seb s PRO 97 Cb -0.09 -2.64 -0.02 0.00 0.04 0.00 0.00 34.50 31.79 1seb s PRO 97 CO 0.19 0.08 -0.09 0.21 0.04 0.00 0.00 177.00 177.42 1seb s LYS 98 N -4.36 3.47 0.05 4.56 2.47 -0.91 -4.94 119.74 120.09 1seb s LYS 98 Ca 0.41 -0.62 -0.10 0.00 -1.56 0.00 0.00 55.97 54.10 1seb s LYS 98 Cb -0.10 -2.78 -0.06 0.00 -1.46 0.00 0.00 37.83 33.44 1seb s LYS 98 CO 0.36 0.16 0.38 0.08 0.16 0.00 0.00 175.35 176.49 1seb s VAL 99 N 0.53 5.12 -0.16 4.02 1.01 -1.26 -2.88 120.40 126.77 1seb s VAL 99 Ca -0.06 0.48 -0.08 0.00 0.00 0.00 0.00 61.98 62.31 1seb s VAL 99 Cb -0.15 -3.64 0.06 0.00 0.00 0.00 0.00 36.38 32.65 1seb s VAL 99 CO 0.03 0.35 0.38 -0.89 0.00 0.00 0.00 175.10 174.97 1seb s THR 100 N -1.33 -0.12 -0.14 3.92 2.01 -0.65 -4.97 115.64 114.36 1seb s THR 100 Ca 0.30 0.12 0.01 0.00 0.31 0.00 0.00 61.69 62.43 1seb s THR 100 Cb -0.14 -0.57 -0.01 0.00 0.01 0.00 0.00 72.50 71.79 1seb s THR 100 CO 0.17 0.05 -0.16 -0.69 -0.69 0.00 0.00 174.62 173.30 1seb s VAL 101 N 1.57 2.70 -0.15 3.82 1.01 -1.25 0.18 120.40 128.27 1seb s VAL 101 Ca -0.08 -0.77 -0.13 0.00 0.00 0.00 0.00 61.98 61.00 1seb s VAL 101 Cb -0.09 -2.12 0.04 0.00 0.00 0.00 0.00 36.38 34.21 1seb s VAL 101 CO -0.12 0.52 0.39 -0.72 0.00 0.00 0.00 175.10 175.18 1seb s TYR 102 N 0.58 -0.46 0.31 5.22 1.13 -0.15 -4.94 117.35 119.04 1seb s TYR 102 Ca -0.09 1.10 -0.29 0.00 -1.41 0.00 0.00 57.07 56.38 1seb s TYR 102 Cb -0.16 0.17 -0.10 0.00 -1.10 0.00 0.00 41.96 40.77 1seb s TYR 102 CO 0.03 -0.24 1.17 -1.25 -2.51 0.00 0.00 175.55 172.76 1seb s PRO 103 N 0.47 4.48 0.27 -3.49 0.04 -1.26 -0.16 135.00 135.35 1seb s PRO 103 Ca -0.02 1.92 -0.01 0.00 0.04 0.00 0.00 61.00 62.94 1seb s PRO 103 Cb -0.04 -3.08 0.52 0.00 0.04 0.00 0.00 34.50 31.94 1seb s PRO 103 CO -0.02 0.03 1.79 0.66 0.04 0.00 0.00 177.00 179.50 1seb h SER 104 N 3.52 0.70 -3.31 6.66 4.64 -1.11 -3.37 113.55 121.28 1seb h SER 104 Ca -0.48 0.07 -0.60 0.00 -0.47 0.00 0.00 61.79 60.31 1seb h SER 104 Cb 1.22 -0.06 -0.40 0.00 -0.31 0.00 0.00 62.40 62.85 1seb h SER 104 CO 0.66 0.34 -0.75 -0.54 -0.87 0.00 0.00 176.83 175.67 1seb s LYS 105 N -5.97 0.94 -0.84 4.77 1.02 -1.26 -5.06 119.74 113.35 1seb s LYS 105 Ca -0.12 -1.36 -0.22 0.00 0.02 0.00 0.00 55.97 54.29 1seb s LYS 105 Cb 0.22 -2.28 -0.19 0.00 -0.52 0.00 0.00 37.83 35.06 1seb s LYS 105 CO 0.79 -1.00 2.28 -2.37 -0.92 0.00 0.00 175.35 174.13 1seb n THR 106 N 4.55 0.00 -4.16 2.17 5.66 -1.26 -4.82 114.28 116.42 1seb n THR 106 Ca 0.01 -0.45 -0.11 0.00 -3.05 0.00 0.00 64.05 60.45 1seb n THR 106 Cb 0.41 -1.52 -0.09 0.00 -1.55 0.00 0.00 70.33 67.58 1seb n THR 106 CO 0.00 0.00 0.00 -1.10 -3.05 0.00 0.00 175.07 170.92 1seb s GLN 107 N 8.37 1.19 0.94 1.09 -0.21 -1.26 -5.18 119.66 124.61 1seb s GLN 107 Ca 0.97 -1.54 -0.11 0.00 0.02 0.00 0.00 55.36 54.69 1seb s GLN 107 Cb -0.27 0.29 0.16 0.00 1.00 0.00 0.00 33.01 34.20 1seb s GLN 107 CO 0.19 -0.40 1.11 -1.25 -2.12 0.00 0.00 175.29 172.82 1seb s PRO 108 N -4.12 0.80 1.21 2.91 0.04 -1.26 -5.07 135.00 129.52 1seb s PRO 108 Ca 0.34 1.29 -0.18 0.00 0.04 0.00 0.00 61.00 62.49 1seb s PRO 108 Cb 0.06 -1.72 0.25 0.00 0.04 0.00 0.00 34.50 33.13 1seb s PRO 108 CO 0.10 -2.69 0.55 1.28 0.04 0.00 0.00 177.00 176.28 1seb n LEU 109 N -4.25 -1.20 -4.21 -3.56 4.77 -1.26 -4.39 117.00 102.91 1seb n LEU 109 Ca 0.09 -0.50 -0.36 0.00 -0.03 0.00 0.00 56.01 55.21 1seb n LEU 109 Cb 0.53 -0.93 -0.03 0.00 -2.33 0.00 0.00 43.42 40.66 1seb n LEU 109 CO 0.52 -3.73 -0.04 0.00 -1.33 0.00 0.00 177.39 172.81 1seb n GLN 110 N -3.63 -3.22 -3.75 3.23 6.02 0.31 -4.93 117.38 111.42 1seb n GLN 110 Ca 0.07 0.38 -0.13 0.00 -0.01 0.00 0.00 57.00 57.31 1seb n GLN 110 Cb 0.50 -5.07 -0.09 0.00 1.02 0.00 0.00 30.24 26.60 1seb n GLN 110 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 177.06 174.47 1seb s HIS 111 N -3.33 -0.26 -0.12 1.08 5.04 -1.26 -4.96 115.29 111.49 1seb s HIS 111 Ca 0.70 0.48 -0.38 0.00 -1.54 0.00 0.00 55.06 54.32 1seb s HIS 111 Cb -0.38 0.12 -0.15 0.00 0.04 0.00 0.00 32.58 32.21 1seb s HIS 111 CO 0.92 -0.35 1.66 -2.39 -2.34 0.00 0.00 174.74 172.24 1seb n HIS 112 N 1.64 2.00 -3.76 3.88 1.44 -1.26 -3.77 115.22 115.39 1seb n HIS 112 Ca -0.19 0.43 -0.13 0.00 -2.01 0.00 0.00 57.72 55.82 1seb n HIS 112 Cb 0.56 -2.48 -0.09 0.00 0.12 0.00 0.00 29.99 28.11 1seb n HIS 112 CO 0.00 0.00 0.00 0.54 -2.81 0.00 0.00 176.34 174.07 1seb s ASN 113 N 2.71 -0.22 -0.23 4.39 4.22 -0.32 -5.01 114.94 120.49 1seb s ASN 113 Ca 0.92 0.17 -0.12 0.00 -2.14 0.00 0.00 52.86 51.69 1seb s ASN 113 Cb -0.94 0.36 -0.05 0.00 1.28 0.00 0.00 41.25 41.91 1seb s ASN 113 CO 0.56 -0.41 0.23 -0.76 -2.04 0.00 0.00 177.10 174.68 1seb s LEU 114 N -1.13 4.13 0.11 3.54 1.43 -1.26 -0.93 118.68 124.57 1seb s LEU 114 Ca -0.12 0.23 -0.19 0.00 -1.03 0.00 0.00 54.13 53.02 1seb s LEU 114 Cb -0.05 -2.22 -0.07 0.00 0.03 0.00 0.00 46.19 43.88 1seb s LEU 114 CO 0.04 0.03 0.61 -0.76 0.23 0.00 0.00 176.35 176.49 1seb s LEU 115 N 1.11 4.48 -0.14 1.79 1.43 0.82 -0.46 118.68 127.71 1seb s LEU 115 Ca 0.11 1.29 -0.01 0.00 -1.03 0.00 0.00 54.13 54.49 1seb s LEU 115 Cb -0.14 -3.09 -0.02 0.00 0.03 0.00 0.00 46.19 42.98 1seb s LEU 115 CO 0.05 0.21 -0.12 -0.69 0.23 0.00 0.00 176.35 176.03 1seb s VAL 116 N -1.23 3.15 -0.33 -1.59 1.01 0.77 -1.14 120.40 121.05 1seb s VAL 116 Ca 0.33 -0.62 -0.01 0.00 0.00 0.00 0.00 61.98 61.68 1seb s VAL 116 Cb -0.19 -2.34 0.07 0.00 0.00 0.00 0.00 36.38 33.93 1seb s VAL 116 CO 0.20 0.52 0.04 0.00 0.00 0.00 0.00 175.10 175.86 1seb s SER 118 N 1.33 6.45 -0.22 0.00 0.15 0.13 -1.18 113.70 120.36 1seb s SER 118 Ca -0.00 0.47 0.00 0.00 0.70 0.00 0.00 55.95 57.13 1seb s SER 118 Cb -0.20 -2.29 0.03 0.00 -1.71 0.00 0.00 66.02 61.84 1seb s SER 118 CO -0.03 -0.35 -0.13 -0.69 1.20 0.00 0.00 173.24 173.24 1seb s VAL 119 N 2.39 2.40 0.05 4.45 1.01 0.64 -1.64 120.40 129.69 1seb s VAL 119 Ca 0.22 -1.10 -0.01 0.00 0.00 0.00 0.00 61.98 61.09 1seb s VAL 119 Cb -0.15 -2.17 -0.04 0.00 0.00 0.00 0.00 36.38 34.02 1seb s VAL 119 CO 0.10 0.31 -0.03 -0.94 0.00 0.00 0.00 175.10 174.54 1seb s SER 120 N 1.27 0.47 -0.59 3.32 1.04 -1.14 0.85 113.70 118.91 1seb s SER 120 Ca 0.00 -0.96 0.00 0.00 0.48 0.00 0.00 55.95 55.47 1seb s SER 120 Cb -0.16 0.20 0.00 0.00 0.10 0.00 0.00 66.02 66.16 1seb s SER 120 CO -0.08 -0.58 0.00 0.61 0.98 0.00 0.00 173.24 174.17 1seb n GLY 121 N 0.20 0.54 3.98 7.32 0.00 -0.23 -2.13 105.19 114.87 1seb n GLY 121 Ca -0.15 -0.72 -0.19 0.00 0.00 0.00 0.00 46.02 44.97 1seb n GLY 121 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1seb s PHE 122 N -2.26 2.97 -0.28 1.61 -0.71 -0.97 -4.58 117.98 113.77 1seb s PHE 122 Ca 0.00 -0.30 -0.18 0.00 -1.04 0.00 0.00 56.93 55.41 1seb s PHE 122 Cb 0.00 -2.11 0.09 0.00 -1.21 0.00 0.00 43.02 39.79 1seb s PHE 122 CO 0.00 -0.13 0.76 -0.47 -1.34 0.00 0.00 175.22 174.04 1seb s TYR 123 N -2.26 -0.91 1.23 3.49 6.14 -0.90 0.03 117.35 124.17 1seb s TYR 123 Ca 0.48 1.89 -0.17 0.00 0.64 0.00 0.00 57.07 59.91 1seb s TYR 123 Cb -0.09 0.51 0.30 0.00 0.42 0.00 0.00 41.96 43.10 1seb s TYR 123 CO 0.31 -0.45 1.03 -2.14 0.64 0.00 0.00 175.55 174.94 1seb s PRO 124 N 1.28 -1.39 0.00 4.97 0.02 -1.26 -1.31 135.00 137.30 1seb s PRO 124 Ca -0.07 0.35 0.31 0.00 0.02 0.00 0.00 61.00 61.61 1seb s PRO 124 Cb -0.05 -1.54 1.77 0.00 0.02 0.00 0.00 34.50 34.70 1seb s PRO 124 CO -0.14 -3.91 2.16 0.41 -0.33 0.00 0.00 177.00 175.18 1seb n GLY 125 N 0.22 -1.00 3.63 0.52 0.00 -1.26 -4.76 105.19 102.54 1seb n GLY 125 Ca 0.08 -0.20 -0.43 0.00 0.00 0.00 0.00 46.02 45.47 1seb n GLY 125 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1seb s SER 126 N -2.13 6.75 0.17 1.61 0.01 -1.26 -4.98 113.70 113.88 1seb s SER 126 Ca 0.43 0.97 -0.06 0.00 1.31 0.00 0.00 55.95 58.60 1seb s SER 126 Cb 0.22 -2.54 -0.02 0.00 0.21 0.00 0.00 66.02 63.88 1seb s SER 126 CO 0.39 -1.06 0.23 -0.51 0.41 0.00 0.00 173.24 172.70 1seb s ILE 127 N 4.16 0.05 -0.10 1.44 2.07 -1.26 -4.33 121.20 123.23 1seb s ILE 127 Ca 0.50 -1.62 -0.03 0.00 -1.41 0.00 0.00 60.65 58.09 1seb s ILE 127 Cb -0.13 -2.05 0.05 0.00 0.13 0.00 0.00 42.46 40.47 1seb s ILE 127 CO 0.22 -0.25 0.13 -0.70 -1.91 0.00 0.00 174.94 172.43 1seb s GLU 128 N -4.03 0.02 -0.12 3.50 2.12 -0.49 -4.97 118.70 114.73 1seb s GLU 128 Ca 0.23 0.37 0.03 0.00 0.36 0.00 0.00 54.97 55.96 1seb s GLU 128 Cb 0.04 -0.69 0.01 0.00 0.26 0.00 0.00 34.13 33.75 1seb s GLU 128 CO 0.04 -0.41 -0.21 0.14 -0.54 0.00 0.00 175.26 174.28 1seb s VAL 129 N 2.24 1.91 0.13 3.70 -7.23 -1.26 -0.24 120.40 119.65 1seb s VAL 129 Ca 0.04 -0.90 0.08 0.00 -1.81 0.00 0.00 61.98 59.39 1seb s VAL 129 Cb -0.13 -1.69 -0.04 0.00 0.56 0.00 0.00 36.38 35.08 1seb s VAL 129 CO -0.06 0.52 -0.19 -0.13 -0.31 0.00 0.00 175.10 174.93 1seb s ARG 130 N 0.76 1.17 -0.08 4.82 0.52 0.13 -4.93 118.95 121.35 1seb s ARG 130 Ca -0.09 -1.28 0.00 0.00 -0.52 0.00 0.00 55.73 53.85 1seb s ARG 130 Cb -0.16 -1.29 -0.03 0.00 0.52 0.00 0.00 34.95 33.99 1seb s ARG 130 CO 0.00 0.28 -0.07 -1.58 0.02 0.00 0.00 175.30 173.95 1seb s TRP 131 N -1.67 2.94 -0.08 -0.53 0.52 -1.26 -0.08 118.94 118.78 1seb s TRP 131 Ca 0.11 -0.04 0.02 0.00 0.02 0.00 0.00 56.10 56.21 1seb s TRP 131 Cb -0.08 -1.74 0.01 0.00 -1.15 0.00 0.00 33.47 30.52 1seb s TRP 131 CO 0.05 0.27 -0.14 -0.06 0.02 0.00 0.00 176.95 177.10 1seb s PHE 132 N -0.64 1.64 -0.44 -1.98 0.40 0.98 -1.10 117.98 116.85 1seb s PHE 132 Ca 0.10 -0.66 -0.19 0.00 -0.60 0.00 0.00 56.93 55.57 1seb s PHE 132 Cb -0.11 -1.20 0.02 0.00 0.51 0.00 0.00 43.02 42.24 1seb s PHE 132 CO 0.02 -0.34 0.57 0.50 0.70 0.00 0.00 175.22 176.67 1seb s ARG 133 N 0.75 3.21 -1.06 0.44 3.52 0.67 -1.18 118.95 125.31 1seb s ARG 133 Ca -0.13 -0.53 -0.23 0.00 -0.13 0.00 0.00 55.73 54.72 1seb s ARG 133 Cb -0.16 -3.96 0.03 0.00 -1.56 0.00 0.00 34.95 29.30 1seb s ARG 133 CO 0.03 -0.96 0.64 0.09 -0.81 0.00 0.00 175.30 174.28 1seb n ASN 134 N 6.03 -4.27 0.00 -2.12 3.02 0.43 0.20 115.26 118.56 1seb n ASN 134 Ca -0.04 -1.18 0.00 0.00 -0.03 0.00 0.00 54.58 53.33 1seb n ASN 134 Cb 0.48 -1.56 0.00 0.00 -0.61 0.00 0.00 39.78 38.09 1seb n ASN 134 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1seb n GLY 135 N -1.93 0.49 3.35 7.41 0.00 -1.26 -4.98 105.19 108.26 1seb n GLY 135 Ca -0.19 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.53 1seb n GLY 135 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1seb s GLN 136 N -0.55 2.03 0.03 1.61 -1.52 0.13 -5.04 119.66 116.35 1seb s GLN 136 Ca 0.00 -0.98 -0.30 0.00 -1.95 0.00 0.00 55.36 52.13 1seb s GLN 136 Cb 0.00 -2.06 -0.05 0.00 -0.22 0.00 0.00 33.01 30.67 1seb s GLN 136 CO 0.00 0.55 1.27 -2.00 -0.25 0.00 0.00 175.29 174.86 1seb s GLU 137 N -0.93 4.37 -0.49 2.91 2.12 -1.26 0.24 118.70 125.66 1seb s GLU 137 Ca 0.11 1.83 -0.17 0.00 0.36 0.00 0.00 54.97 57.10 1seb s GLU 137 Cb -0.10 -3.43 0.06 0.00 0.26 0.00 0.00 34.13 30.93 1seb s GLU 137 CO 0.01 -0.39 0.51 -1.21 -0.54 0.00 0.00 175.26 173.63 1seb s GLU 138 N 1.60 3.05 -0.08 4.30 0.41 -0.26 -4.89 118.70 122.83 1seb s GLU 138 Ca 0.60 -1.11 0.14 0.00 -0.41 0.00 0.00 54.97 54.19 1seb s GLU 138 Cb -0.30 -4.11 0.47 0.00 -1.78 0.00 0.00 34.13 28.41 1seb s GLU 138 CO 0.27 -1.11 1.39 1.63 -0.49 0.00 0.00 175.26 176.95 1seb n LYS 139 N 5.68 3.07 -4.97 1.61 4.76 -1.26 -4.55 118.16 122.49 1seb n LYS 139 Ca -0.09 -2.49 -0.28 0.00 -2.87 0.00 0.00 58.31 52.57 1seb n LYS 139 Cb 0.45 -1.59 -0.16 0.00 -1.84 0.00 0.00 35.03 31.88 1seb n LYS 139 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1seb s ALA 140 N -1.76 1.77 -0.13 7.82 0.00 -1.26 -4.70 121.76 123.50 1seb s ALA 140 Ca 0.36 -0.78 0.00 0.00 0.00 0.00 0.00 51.96 51.54 1seb s ALA 140 Cb 0.24 -0.63 0.00 0.00 0.00 0.00 0.00 23.12 22.73 1seb s ALA 140 CO 0.16 0.28 0.00 0.41 0.00 0.00 0.00 175.76 176.61 1seb n GLY 141 N 3.32 0.34 3.37 0.00 0.00 -1.26 -4.63 105.19 106.33 1seb n GLY 141 Ca -0.19 -0.86 -0.45 0.00 0.00 0.00 0.00 46.02 44.52 1seb n GLY 141 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1seb s VAL 142 N -2.07 5.17 -0.66 1.61 -7.23 -1.26 -1.32 120.40 114.65 1seb s VAL 142 Ca 0.00 -1.14 -0.23 0.00 -1.81 0.00 0.00 61.98 58.80 1seb s VAL 142 Cb 0.00 -4.23 0.07 0.00 0.56 0.00 0.00 36.38 32.77 1seb s VAL 142 CO 0.00 -0.72 0.99 -0.69 -0.31 0.00 0.00 175.10 174.36 1seb s VAL 143 N 1.78 4.28 0.00 1.32 1.01 -0.88 -4.85 120.40 123.06 1seb s VAL 143 Ca 0.05 -0.26 0.02 0.00 0.00 0.00 0.00 61.98 61.78 1seb s VAL 143 Cb -0.26 -4.69 -0.04 0.00 0.00 0.00 0.00 36.38 31.40 1seb s VAL 143 CO 0.06 -1.47 0.01 -0.55 0.00 0.00 0.00 175.10 173.15 1seb s SER 144 N 3.63 5.15 0.00 3.32 0.15 -1.26 -0.15 113.70 124.55 1seb s SER 144 Ca 0.24 -0.01 0.28 0.00 0.70 0.00 0.00 55.95 57.16 1seb s SER 144 Cb -0.16 -1.35 1.08 0.00 -1.71 0.00 0.00 66.02 63.88 1seb s SER 144 CO 0.11 0.27 1.82 1.07 1.20 0.00 0.00 173.24 177.71 1seb n THR 145 N 1.33 0.00 -0.87 6.45 5.66 -0.74 -5.02 114.28 121.09 1seb n THR 145 Ca -0.14 -0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.86 1seb n THR 145 Cb 0.53 -0.34 0.00 0.00 -1.55 0.00 0.00 70.33 68.97 1seb n THR 145 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1seb n GLY 146 N 1.50 -2.42 3.80 1.09 0.00 -1.26 -4.83 105.19 103.07 1seb n GLY 146 Ca 0.07 -1.59 -0.37 0.00 0.00 0.00 0.00 46.02 44.13 1seb n GLY 146 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1seb s LEU 147 N 0.00 4.36 -0.21 0.99 2.96 -1.26 -4.48 118.68 121.05 1seb s LEU 147 Ca 0.00 0.69 -0.04 0.00 -0.22 0.00 0.00 54.13 54.56 1seb s LEU 147 Cb 0.00 -2.41 -0.01 0.00 0.50 0.00 0.00 46.19 44.27 1seb s LEU 147 CO 0.00 0.24 -0.04 -0.63 -1.32 0.00 0.00 176.35 174.60 1seb s ILE 148 N -0.41 3.51 -0.33 6.68 1.01 0.17 -4.97 121.20 126.86 1seb s ILE 148 Ca 0.19 -0.46 -0.21 0.00 0.00 0.00 0.00 60.65 60.18 1seb s ILE 148 Cb -0.14 -2.58 -0.00 0.00 0.01 0.00 0.00 42.46 39.74 1seb s ILE 148 CO 0.08 0.43 0.65 -1.58 0.00 0.00 0.00 174.94 174.52 1seb s GLN 149 N 1.26 3.79 0.17 2.79 0.74 -1.26 -1.04 119.66 126.11 1seb s GLN 149 Ca 0.03 0.20 0.26 0.00 0.05 0.00 0.00 55.36 55.90 1seb s GLN 149 Cb -0.14 -3.77 0.77 0.00 1.10 0.00 0.00 33.01 30.97 1seb s GLN 149 CO -0.01 -0.67 1.71 0.09 -0.55 0.00 0.00 175.29 175.86 1seb n ASN 150 N 6.00 0.70 0.00 6.67 3.02 -0.71 -4.96 115.26 125.97 1seb n ASN 150 Ca -0.01 0.47 0.00 0.00 -0.03 0.00 0.00 54.58 55.01 1seb n ASN 150 Cb 0.49 -0.58 0.00 0.00 -0.61 0.00 0.00 39.78 39.08 1seb n ASN 150 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1seb n GLY 151 N 1.34 2.28 1.44 7.41 0.00 -1.26 -4.89 105.19 111.51 1seb n GLY 151 Ca 0.05 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.97 1seb n GLY 151 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1seb n ASP 152 N 0.00 3.25 -1.54 1.61 5.68 -1.26 -4.90 116.55 119.39 1seb n ASP 152 Ca 0.00 -3.78 -0.13 0.00 -0.50 0.00 0.00 54.79 50.38 1seb n ASP 152 Cb 0.00 -0.65 -0.00 0.00 -1.14 0.00 0.00 41.12 39.33 1seb n ASP 152 CO 0.00 0.00 0.00 0.79 -1.33 0.00 0.00 177.20 176.66 1seb n TRP 153 N -1.07 -0.72 -3.99 2.11 7.02 -1.26 -5.02 117.44 114.52 1seb n TRP 153 Ca 0.39 0.06 -0.10 0.00 -1.02 0.00 0.00 57.50 56.83 1seb n TRP 153 Cb 1.04 -2.87 -0.12 0.00 -2.42 0.00 0.00 31.31 26.95 1seb n TRP 153 CO 0.00 0.00 0.00 -0.08 -2.02 0.00 0.00 177.69 175.59 1seb s THR 154 N -2.69 0.18 0.30 -0.99 -1.32 -1.26 -4.67 115.64 105.20 1seb s THR 154 Ca 0.04 -0.82 0.10 0.00 -1.21 0.00 0.00 61.69 59.80 1seb s THR 154 Cb -0.02 -0.30 -0.06 0.00 -1.51 0.00 0.00 72.50 70.62 1seb s THR 154 CO 0.05 -0.40 -0.13 -0.36 -2.21 0.00 0.00 174.62 171.57 1seb s PHE 155 N -1.24 2.24 0.14 9.09 0.40 0.11 -1.74 117.98 126.98 1seb s PHE 155 Ca -0.13 -0.48 -0.10 0.00 -0.60 0.00 0.00 56.93 55.63 1seb s PHE 155 Cb -0.09 -1.17 -0.00 0.00 0.51 0.00 0.00 43.02 42.27 1seb s PHE 155 CO -0.01 0.56 0.28 1.14 0.70 0.00 0.00 175.22 177.90 1seb s GLN 156 N -3.60 1.08 -0.17 0.44 -2.07 -0.21 -1.07 119.66 114.07 1seb s GLN 156 Ca 0.30 -1.08 -0.28 0.00 -1.82 0.00 0.00 55.36 52.48 1seb s GLN 156 Cb 0.00 0.38 0.07 0.00 -1.09 0.00 0.00 33.01 32.37 1seb s GLN 156 CO 0.15 -0.39 0.70 -0.08 -1.32 0.00 0.00 175.29 174.35 1seb s THR 157 N -3.93 0.00 -0.17 3.63 -1.32 0.25 -0.65 115.64 113.45 1seb s THR 157 Ca 0.13 0.00 0.01 0.00 -1.21 0.00 0.00 61.69 60.62 1seb s THR 157 Cb 0.03 -1.00 0.03 0.00 -1.51 0.00 0.00 72.50 70.05 1seb s THR 157 CO -0.03 0.00 -0.15 -0.76 -2.21 0.00 0.00 174.62 171.46 1seb s LEU 158 N -0.36 1.98 -0.26 9.08 1.43 -1.26 -0.26 118.68 129.03 1seb s LEU 158 Ca -0.05 -0.63 -0.01 0.00 -1.03 0.00 0.00 54.13 52.41 1seb s LEU 158 Cb -0.03 -1.30 0.04 0.00 0.03 0.00 0.00 46.19 44.93 1seb s LEU 158 CO 0.05 -0.06 -0.07 -0.69 0.23 0.00 0.00 176.35 175.82 1seb s VAL 159 N 1.40 2.72 0.36 -1.59 1.01 -0.32 -1.80 120.40 122.18 1seb s VAL 159 Ca 0.04 -1.21 0.01 0.00 0.00 0.00 0.00 61.98 60.82 1seb s VAL 159 Cb -0.14 -2.45 -0.02 0.00 0.00 0.00 0.00 36.38 33.77 1seb s VAL 159 CO -0.11 0.11 0.55 -0.04 0.00 0.00 0.00 175.10 175.61 1seb s MET 160 N 1.27 3.37 -0.05 2.72 -1.94 0.79 -1.82 119.30 123.64 1seb s MET 160 Ca -0.02 -0.45 -0.01 0.00 -1.71 0.00 0.00 55.69 53.49 1seb s MET 160 Cb -0.18 -2.67 0.03 0.00 2.01 0.00 0.00 34.83 34.02 1seb s MET 160 CO -0.04 0.08 0.02 -1.17 -0.01 0.00 0.00 175.02 173.90 1seb s LEU 161 N -4.32 0.56 -0.15 -0.03 2.96 -0.29 -2.08 118.68 115.33 1seb s LEU 161 Ca 0.41 -0.02 -0.29 0.00 -0.22 0.00 0.00 54.13 54.01 1seb s LEU 161 Cb -0.10 -0.31 -0.01 0.00 0.50 0.00 0.00 46.19 46.28 1seb s LEU 161 CO 0.35 -0.19 1.06 -1.61 -1.32 0.00 0.00 176.35 174.64 1seb s GLU 162 N 1.85 4.35 0.09 1.98 2.02 -0.43 -0.13 118.70 128.42 1seb s GLU 162 Ca 0.02 1.44 0.03 0.00 0.02 0.00 0.00 54.97 56.47 1seb s GLU 162 Cb -0.12 -3.59 -0.04 0.00 0.10 0.00 0.00 34.13 30.48 1seb s GLU 162 CO -0.04 -0.46 -0.09 0.95 0.02 0.00 0.00 175.26 175.64 1seb s THR 163 N 2.54 0.78 -0.74 3.63 -4.23 -0.11 -4.89 115.64 112.63 1seb s THR 163 Ca 0.48 -1.61 0.01 0.00 -1.18 0.00 0.00 61.69 59.39 1seb s THR 163 Cb -0.18 -1.30 0.18 0.00 1.34 0.00 0.00 72.50 72.54 1seb s THR 163 CO 0.14 -0.62 0.56 -0.69 -0.54 0.00 0.00 174.62 173.48 1seb s VAL 164 N -2.58 3.53 -0.17 2.29 1.01 -1.26 -1.17 120.40 122.04 1seb s VAL 164 Ca 0.04 -3.81 -0.37 0.00 0.00 0.00 0.00 61.98 57.84 1seb s VAL 164 Cb -0.02 -3.27 -0.14 0.00 0.00 0.00 0.00 36.38 32.95 1seb s VAL 164 CO -0.01 -0.99 1.80 -0.81 0.00 0.00 0.00 175.10 175.08 1seb n PRO 165 N 2.47 1.65 -4.28 2.72 -0.04 -1.25 -4.80 135.00 131.47 1seb n PRO 165 Ca 0.17 0.60 -0.27 0.00 -0.04 0.00 0.00 63.50 63.96 1seb n PRO 165 Cb 0.36 -2.36 -0.17 0.00 -0.04 0.00 0.00 33.50 31.29 1seb n PRO 165 CO 0.00 0.00 0.00 -0.98 -0.04 0.00 0.00 175.50 174.48 1seb s ARG 166 N 3.66 1.95 1.06 0.54 1.70 -1.26 -0.53 118.95 126.07 1seb s ARG 166 Ca 0.95 -0.45 -0.11 0.00 -0.47 0.00 0.00 55.73 55.64 1seb s ARG 166 Cb -0.89 -1.75 0.23 0.00 -0.57 0.00 0.00 34.95 31.97 1seb s ARG 166 CO 0.58 -0.12 1.08 -1.54 -1.08 0.00 0.00 175.30 174.22 1seb s SER 167 N 1.17 1.77 0.00 -2.89 1.04 -1.26 -3.27 113.70 110.25 1seb s SER 167 Ca -0.04 1.85 0.00 0.00 0.48 0.00 0.00 55.95 58.24 1seb s SER 167 Cb -0.14 -2.45 0.00 0.00 0.10 0.00 0.00 66.02 63.53 1seb s SER 167 CO -0.03 -3.77 0.00 0.61 0.98 0.00 0.00 173.24 171.03 1seb n GLY 168 N 0.62 2.24 3.90 7.32 0.00 -1.25 -5.02 105.19 113.01 1seb n GLY 168 Ca 0.07 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.81 1seb n GLY 168 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1seb s GLU 169 N -0.24 3.59 -0.03 1.61 2.02 -1.20 -4.95 118.70 119.49 1seb s GLU 169 Ca 0.00 0.21 0.01 0.00 0.02 0.00 0.00 54.97 55.21 1seb s GLU 169 Cb 0.00 -2.41 0.03 0.00 0.10 0.00 0.00 34.13 31.84 1seb s GLU 169 CO 0.00 -0.12 -0.01 0.08 0.02 0.00 0.00 175.26 175.23 1seb s VAL 170 N -2.59 0.25 -0.04 2.63 1.01 -1.26 -1.47 120.40 118.92 1seb s VAL 170 Ca 0.48 0.05 0.06 0.00 0.00 0.00 0.00 61.98 62.56 1seb s VAL 170 Cb -0.10 -0.33 -0.02 0.00 0.00 0.00 0.00 36.38 35.93 1seb s VAL 170 CO 0.40 0.16 -0.21 -0.31 0.00 0.00 0.00 175.10 175.15 1seb s TYR 171 N 1.01 2.50 -0.04 5.22 2.02 0.69 -0.43 117.35 128.32 1seb s TYR 171 Ca -0.10 -0.35 0.04 0.00 -0.37 0.00 0.00 57.07 56.29 1seb s TYR 171 Cb -0.14 -1.57 -0.00 0.00 -0.40 0.00 0.00 41.96 39.85 1seb s TYR 171 CO -0.01 0.04 -0.16 0.99 -1.57 0.00 0.00 175.55 174.84 1seb s THR 172 N -0.61 1.32 -0.27 -0.71 2.01 -0.32 0.10 115.64 117.16 1seb s THR 172 Ca 0.09 -0.65 -0.09 0.00 0.31 0.00 0.00 61.69 61.35 1seb s THR 172 Cb -0.11 -1.14 -0.03 0.00 0.01 0.00 0.00 72.50 71.23 1seb s THR 172 CO 0.00 0.39 0.14 0.00 -0.69 0.00 0.00 174.62 174.45 1seb s GLN 174 N 1.68 3.41 -0.12 0.00 0.74 0.89 0.12 119.66 126.37 1seb s GLN 174 Ca 0.06 -0.64 0.03 0.00 0.05 0.00 0.00 55.36 54.86 1seb s GLN 174 Cb -0.16 -2.83 -0.00 0.00 1.10 0.00 0.00 33.01 31.12 1seb s GLN 174 CO 0.07 0.02 -0.21 0.08 -0.55 0.00 0.00 175.29 174.70 1seb s VAL 175 N 0.88 2.26 -0.14 1.34 1.01 0.12 0.22 120.40 126.09 1seb s VAL 175 Ca -0.02 -0.94 0.00 0.00 0.00 0.00 0.00 61.98 61.02 1seb s VAL 175 Cb -0.15 -1.89 -0.01 0.00 0.00 0.00 0.00 36.38 34.33 1seb s VAL 175 CO 0.01 0.55 -0.14 -1.61 0.00 0.00 0.00 175.10 173.90 1seb s GLU 176 N 0.46 3.31 0.01 2.72 2.02 0.67 -1.76 118.70 126.12 1seb s GLU 176 Ca -0.15 -0.72 -0.15 0.00 0.02 0.00 0.00 54.97 53.98 1seb s GLU 176 Cb -0.17 -2.62 0.02 0.00 0.10 0.00 0.00 34.13 31.47 1seb s GLU 176 CO 0.06 0.14 0.32 -1.58 0.02 0.00 0.00 175.26 174.21 1seb s HIS 177 N 0.53 -0.16 0.56 1.61 2.46 -1.26 -1.39 115.29 117.64 1seb s HIS 177 Ca -0.09 0.16 0.35 0.00 0.47 0.00 0.00 55.06 55.94 1seb s HIS 177 Cb -0.16 0.11 1.48 0.00 -0.13 0.00 0.00 32.58 33.88 1seb s HIS 177 CO 0.04 -0.45 1.76 -1.35 -2.47 0.00 0.00 174.74 172.27 1seb h PRO 178 N 3.56 0.00 -0.06 2.88 0.11 -1.94 -1.27 132.00 135.28 1seb h PRO 178 Ca -0.30 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.81 1seb h PRO 178 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1seb h PRO 178 CO 0.43 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 177.09 1seb n SER 179 N -3.97 0.31 -3.88 -2.05 3.41 -1.26 -4.79 113.62 101.40 1seb n SER 179 Ca 0.23 -1.97 -0.11 0.00 -0.26 0.00 0.00 58.87 56.76 1seb n SER 179 Cb 1.19 -0.04 -0.12 0.00 -0.26 0.00 0.00 64.21 64.99 1seb n SER 179 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 1seb s VAL 180 N -1.92 0.04 -0.08 -3.33 -7.23 -0.48 -4.86 120.40 102.53 1seb s VAL 180 Ca 0.05 -0.33 -0.25 0.00 -1.81 0.00 0.00 61.98 59.64 1seb s VAL 180 Cb 0.03 -0.21 -0.28 0.00 0.56 0.00 0.00 36.38 36.47 1seb s VAL 180 CO 0.04 -0.18 0.88 0.71 -0.31 0.00 0.00 175.10 176.23 1seb h THR 181 N 4.79 1.62 -3.27 5.32 1.35 -1.86 -3.43 112.91 117.43 1seb h THR 181 Ca -0.27 -2.36 -0.66 0.00 -0.55 0.00 0.00 66.41 62.57 1seb h THR 181 Cb 1.20 3.19 -0.12 0.00 -1.73 0.00 0.00 68.15 70.69 1seb h THR 181 CO 0.44 0.65 -0.62 -0.55 -0.25 0.00 0.00 175.52 175.18 1seb s SER 182 N -6.58 5.31 0.50 5.36 0.15 -1.26 -5.06 113.70 112.11 1seb s SER 182 Ca -0.16 0.02 -0.22 0.00 0.70 0.00 0.00 55.95 56.29 1seb s SER 182 Cb -0.01 -1.42 -0.06 0.00 -1.71 0.00 0.00 66.02 62.82 1seb s SER 182 CO 0.76 0.26 1.18 -2.16 1.20 0.00 0.00 173.24 174.48 1seb s PRO 183 N -1.77 3.51 0.39 5.44 0.04 -1.26 -4.97 135.00 136.38 1seb s PRO 183 Ca 0.22 1.79 -0.23 0.00 0.04 0.00 0.00 61.00 62.82 1seb s PRO 183 Cb -0.12 -2.25 -0.10 0.00 0.04 0.00 0.00 34.50 32.07 1seb s PRO 183 CO 0.13 -0.76 0.95 -0.51 0.04 0.00 0.00 177.00 176.86 1seb s LEU 184 N -3.37 4.09 -0.06 -3.56 1.43 -0.72 -4.89 118.68 111.60 1seb s LEU 184 Ca 0.68 1.76 -0.04 0.00 -1.03 0.00 0.00 54.13 55.49 1seb s LEU 184 Cb -0.29 -4.34 0.02 0.00 0.03 0.00 0.00 46.19 41.61 1seb s LEU 184 CO 0.34 -0.26 0.14 0.42 0.23 0.00 0.00 176.35 177.22 1seb s THR 185 N -1.96 -0.01 -0.09 5.49 -4.23 -1.26 -0.70 115.64 112.88 1seb s THR 185 Ca 0.58 0.04 0.01 0.00 -1.18 0.00 0.00 61.69 61.14 1seb s THR 185 Cb -0.13 -0.21 0.02 0.00 1.34 0.00 0.00 72.50 73.52 1seb s THR 185 CO 0.17 0.02 -0.11 -0.69 -0.54 0.00 0.00 174.62 173.47 1seb s VAL 186 N 0.32 1.17 0.07 2.29 1.01 0.12 -4.94 120.40 120.44 1seb s VAL 186 Ca -0.02 -0.43 0.01 0.00 0.00 0.00 0.00 61.98 61.54 1seb s VAL 186 Cb -0.03 -1.11 -0.04 0.00 0.00 0.00 0.00 36.38 35.20 1seb s VAL 186 CO -0.01 0.38 0.17 -0.70 0.00 0.00 0.00 175.10 174.93 1seb s GLU 187 N 1.16 3.25 -0.02 2.72 2.12 -1.26 0.26 118.70 126.93 1seb s GLU 187 Ca -0.05 -0.53 0.01 0.00 0.36 0.00 0.00 54.97 54.76 1seb s GLU 187 Cb -0.14 -2.93 0.01 0.00 0.26 0.00 0.00 34.13 31.33 1seb s GLU 187 CO -0.03 0.59 -0.03 -0.46 -0.54 0.00 0.00 175.26 174.79 1seb s TRP 188 N -1.48 0.48 -0.19 5.30 -0.00 0.28 -4.97 118.94 118.35 1seb s TRP 188 Ca 0.33 -0.09 -0.03 0.00 -0.00 0.00 0.00 56.10 56.31 1seb s TRP 188 Cb -0.13 -0.42 -0.02 0.00 -0.00 0.00 0.00 33.47 32.91 1seb s TRP 188 CO 0.26 -0.09 -0.05 1.03 -0.00 0.00 0.00 176.95 178.10 1seb s ARG 189 N 0.51 3.47 -0.74 5.86 0.52 -1.26 -0.22 118.95 127.09 1seb s ARG 189 Ca -0.06 -0.60 -0.25 0.00 -0.52 0.00 0.00 55.73 54.30 1seb s ARG 189 Cb -0.09 -2.95 -0.13 0.00 0.52 0.00 0.00 34.95 32.30 1seb s ARG 189 CO -0.01 -0.03 2.41 0.00 0.02 0.00 0.00 175.30 177.70 1seb n ALA 190 N 4.30 0.46 0.00 2.13 0.00 -0.54 -4.79 120.51 122.07 1seb n ALA 190 Ca -0.18 -1.27 0.00 0.00 0.00 0.00 0.00 53.44 51.99 1seb n ALA 190 Cb 0.52 -3.23 0.00 0.00 0.00 0.00 0.00 19.45 16.73 1seb n ALA 190 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1seb n ARG 191 N 8.74 0.00 0.00 0.00 5.12 -1.26 -3.74 116.66 125.52 1seb n ARG 191 Ca 0.46 0.00 0.14 0.00 -1.93 0.00 0.00 57.85 56.51 1seb n ARG 191 Cb 0.44 0.00 0.44 0.00 -1.16 0.00 0.00 32.46 32.18 1seb n ARG 191 CO 0.00 0.00 0.00 0.43 -1.93 0.00 0.00 177.63 176.13