#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3e0x s ASN -1 N 0.00 0.03 -0.57 4.04 2.20 -1.26 -5.29 114.94 114.09 3e0x s ASN -1 Ca 0.00 -0.98 -0.13 0.00 -0.94 0.00 0.00 52.86 50.80 3e0x s ASN -1 Cb 0.00 0.64 0.14 0.00 -2.00 0.00 0.00 41.25 40.03 3e0x s ASN -1 CO 0.00 -1.24 0.50 0.00 -2.94 0.00 0.00 177.10 173.42 3e0x s ALA 0 N -3.73 3.64 0.03 3.54 0.00 -1.26 -5.14 121.76 118.86 3e0x s ALA 0 Ca 0.21 -2.69 -0.01 0.00 0.00 0.00 0.00 51.96 49.47 3e0x s ALA 0 Cb -0.02 -3.16 -0.04 0.00 0.00 0.00 0.00 23.12 19.90 3e0x s ALA 0 CO 0.10 -2.03 0.20 -0.51 0.00 0.00 0.00 175.76 173.52 3e0x s LEU 2 N 1.24 4.35 0.42 0.00 1.43 -1.26 -5.12 118.68 119.75 3e0x s LEU 2 Ca 0.07 0.29 -0.25 0.00 -1.03 0.00 0.00 54.13 53.21 3e0x s LEU 2 Cb -0.25 -2.82 -0.08 0.00 0.03 0.00 0.00 46.19 43.06 3e0x s LEU 2 CO -0.00 0.20 1.21 -2.28 0.23 0.00 0.00 176.35 175.71 3e0x s HIS 3 N -1.44 2.91 0.15 0.29 5.65 -1.26 -4.92 115.29 116.68 3e0x s HIS 3 Ca 0.32 1.50 -0.11 0.00 0.25 0.00 0.00 55.06 57.03 3e0x s HIS 3 Cb -0.13 -3.48 0.00 0.00 -1.18 0.00 0.00 32.58 27.79 3e0x s HIS 3 CO 0.24 -1.65 0.31 1.52 -0.65 0.00 0.00 174.74 174.52 3e0x s TYR 4 N -1.40 0.23 0.05 3.88 -0.85 -1.26 -0.92 117.35 117.07 3e0x s TYR 4 Ca 0.59 -0.60 0.09 0.00 -0.52 0.00 0.00 57.07 56.64 3e0x s TYR 4 Cb -0.33 0.04 -0.03 0.00 0.38 0.00 0.00 41.96 42.02 3e0x s TYR 4 CO 0.41 -0.72 -0.25 0.14 -1.52 0.00 0.00 175.55 173.60 3e0x s VAL 5 N -3.92 2.06 -0.21 -3.49 -7.23 0.08 -4.95 120.40 102.73 3e0x s VAL 5 Ca 0.13 -1.37 0.01 0.00 -1.81 0.00 0.00 61.98 58.94 3e0x s VAL 5 Cb 0.03 -1.77 0.04 0.00 0.56 0.00 0.00 36.38 35.24 3e0x s VAL 5 CO -0.03 0.33 -0.12 -2.28 -0.31 0.00 0.00 175.10 172.68 3e0x s HIS 6 N -0.81 2.69 0.34 2.82 2.46 -1.26 -0.58 115.29 120.95 3e0x s HIS 6 Ca 0.11 -1.79 0.07 0.00 0.47 0.00 0.00 55.06 53.92 3e0x s HIS 6 Cb -0.10 -1.76 -0.03 0.00 -0.13 0.00 0.00 32.58 30.56 3e0x s HIS 6 CO 0.02 -0.79 0.26 0.14 -2.47 0.00 0.00 174.74 171.90 3e0x s VAL 7 N 1.30 0.08 0.00 0.89 -7.23 -0.19 -5.02 120.40 110.23 3e0x s VAL 7 Ca -0.02 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.15 3e0x s VAL 7 Cb -0.17 -2.47 0.00 0.00 0.56 0.00 0.00 36.38 34.30 3e0x s VAL 7 CO -0.08 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.32 3e0x n GLY 8 N -0.67 -1.27 3.45 2.32 0.00 -1.26 -1.24 105.19 106.53 3e0x n GLY 8 Ca 0.06 -1.34 -0.43 0.00 0.00 0.00 0.00 46.02 44.30 3e0x n GLY 8 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3e0x s ASN 9 N -4.00 6.32 0.43 1.61 2.47 -0.18 -4.87 114.94 116.72 3e0x s ASN 9 Ca 0.00 -1.33 0.30 0.00 0.42 0.00 0.00 52.86 52.25 3e0x s ASN 9 Cb 0.00 -2.41 1.32 0.00 -1.45 0.00 0.00 41.25 38.71 3e0x s ASN 9 CO 0.00 -1.32 1.89 0.11 -3.72 0.00 0.00 177.10 174.06 3e0x h LYS 10 N 9.35 0.00 -0.20 0.43 1.57 -1.82 -1.37 116.57 124.54 3e0x h LYS 10 Ca -0.14 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.64 3e0x h LYS 10 Cb 1.06 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.37 3e0x h LYS 10 CO 1.17 0.00 0.00 1.63 -0.57 0.00 0.00 179.45 181.68 3e0x n LYS 11 N -2.68 2.14 -1.80 3.15 4.76 -1.26 -4.87 118.16 117.59 3e0x n LYS 11 Ca 0.01 -1.69 -0.40 0.00 -2.87 0.00 0.00 58.31 53.36 3e0x n LYS 11 Cb 0.22 -1.46 0.02 0.00 -1.84 0.00 0.00 35.03 31.97 3e0x n LYS 11 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 3e0x s SER 12 N -1.69 5.80 0.16 4.39 0.15 -0.53 -4.89 113.70 117.09 3e0x s SER 12 Ca 0.34 2.90 0.21 0.00 0.70 0.00 0.00 55.95 60.09 3e0x s SER 12 Cb 0.20 -2.65 0.85 0.00 -1.71 0.00 0.00 66.02 62.71 3e0x s SER 12 CO 0.30 -1.23 1.63 -0.81 1.20 0.00 0.00 173.24 174.33 3e0x n PRO 13 N -0.30 0.12 -3.61 5.44 -0.04 -1.26 -4.60 135.00 130.75 3e0x n PRO 13 Ca 0.06 0.34 -0.40 0.00 -0.04 0.00 0.00 63.50 63.46 3e0x n PRO 13 Cb 0.42 -1.72 -0.11 0.00 -0.04 0.00 0.00 33.50 32.05 3e0x n PRO 13 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 3e0x s ASN 14 N -3.77 5.71 -0.17 3.54 0.01 -1.26 -4.33 114.94 114.66 3e0x s ASN 14 Ca 0.06 -0.70 -0.06 0.00 -0.71 0.00 0.00 52.86 51.45 3e0x s ASN 14 Cb 0.10 -2.03 -0.03 0.00 0.41 0.00 0.00 41.25 39.69 3e0x s ASN 14 CO 0.36 -0.28 0.02 -0.89 -1.51 0.00 0.00 177.10 174.80 3e0x s THR 15 N 1.61 4.42 -0.19 1.60 2.01 -0.76 -1.11 115.64 123.21 3e0x s THR 15 Ca 0.04 -0.17 -0.02 0.00 0.31 0.00 0.00 61.69 61.85 3e0x s THR 15 Cb -0.18 -2.98 -0.00 0.00 0.01 0.00 0.00 72.50 69.35 3e0x s THR 15 CO 0.07 0.47 -0.09 -0.76 -0.69 0.00 0.00 174.62 173.62 3e0x s LEU 16 N 0.42 2.70 -0.28 4.42 1.43 0.19 -0.44 118.68 127.12 3e0x s LEU 16 Ca 0.00 -0.43 -0.06 0.00 -1.03 0.00 0.00 54.13 52.61 3e0x s LEU 16 Cb -0.13 -1.66 0.00 0.00 0.03 0.00 0.00 46.19 44.43 3e0x s LEU 16 CO 0.01 0.02 0.06 -0.22 0.23 0.00 0.00 176.35 176.45 3e0x s LEU 17 N 1.21 3.63 -0.16 1.79 2.96 -0.04 -0.64 118.68 127.43 3e0x s LEU 17 Ca 0.02 -0.60 -0.12 0.00 -0.22 0.00 0.00 54.13 53.21 3e0x s LEU 17 Cb -0.14 -1.86 -0.05 0.00 0.50 0.00 0.00 46.19 44.64 3e0x s LEU 17 CO -0.04 -0.14 0.23 -0.36 -1.32 0.00 0.00 176.35 174.72 3e0x s PHE 18 N 1.51 3.47 -0.17 5.38 0.08 0.07 -0.65 117.98 127.67 3e0x s PHE 18 Ca 0.03 0.53 0.01 0.00 0.12 0.00 0.00 56.93 57.62 3e0x s PHE 18 Cb -0.16 -2.24 0.03 0.00 -0.57 0.00 0.00 43.02 40.08 3e0x s PHE 18 CO 0.02 0.33 -0.13 0.08 -0.10 0.00 0.00 175.22 175.41 3e0x s VAL 19 N 0.19 1.64 0.54 -0.44 1.01 0.97 -2.05 120.40 122.26 3e0x s VAL 19 Ca 0.14 -0.80 -0.09 0.00 0.00 0.00 0.00 61.98 61.23 3e0x s VAL 19 Cb -0.12 -1.60 0.13 0.00 0.00 0.00 0.00 36.38 34.78 3e0x s VAL 19 CO 0.03 0.36 0.67 0.00 0.00 0.00 0.00 175.10 176.16 3e0x n HIS 20 N 4.73 -3.89 -2.85 5.22 1.44 -1.26 -0.91 115.22 117.70 3e0x n HIS 20 Ca -0.16 -0.60 0.00 0.00 -2.01 0.00 0.00 57.72 54.95 3e0x n HIS 20 Cb 0.49 -0.55 0.00 0.00 0.12 0.00 0.00 29.99 30.04 3e0x n HIS 20 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 3e0x n GLY 21 N 0.06 7.07 3.71 -1.39 0.00 -1.13 -2.72 105.19 110.79 3e0x n GLY 21 Ca 0.09 -2.03 -0.42 0.00 0.00 0.00 0.00 46.02 43.66 3e0x n GLY 21 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3e0x s SER 22 N 0.75 6.49 -0.06 1.61 0.01 -1.26 -2.85 113.70 118.39 3e0x s SER 22 Ca 0.00 2.70 0.00 0.00 1.31 0.00 0.00 55.95 59.96 3e0x s SER 22 Cb 0.00 -2.58 0.00 0.00 0.21 0.00 0.00 66.02 63.65 3e0x s SER 22 CO 0.00 -0.92 0.00 0.61 0.41 0.00 0.00 173.24 173.34 3e0x n GLY 23 N 3.98 0.30 0.00 3.44 0.00 -1.26 -4.94 105.19 106.71 3e0x n GLY 23 Ca 0.16 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.15 3e0x n GLY 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3e0x n ASN 25 N 0.00 -0.54 0.25 0.00 0.23 -1.26 -4.60 115.26 109.34 3e0x n ASN 25 Ca 0.00 -1.48 0.17 0.00 -0.53 0.00 0.00 54.58 52.74 3e0x n ASN 25 Cb 0.00 0.93 0.84 0.00 -2.08 0.00 0.00 39.78 39.47 3e0x n ASN 25 CO 0.00 0.00 0.00 0.17 -0.93 0.00 0.00 177.26 176.50 3e0x h LEU 26 N 0.00 0.00 -1.31 -4.53 8.10 -1.93 -2.40 115.31 113.24 3e0x h LEU 26 Ca -0.09 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.90 3e0x h LEU 26 Cb 0.34 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.56 3e0x h LEU 26 CO 0.11 0.00 0.00 0.11 -4.11 0.00 0.00 178.44 174.55 3e0x h LYS 27 N 0.00 0.00 0.00 0.17 1.57 -1.93 -2.37 116.57 114.00 3e0x h LYS 27 Ca 0.00 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3e0x h LYS 27 Cb 0.17 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.47 3e0x h LYS 27 CO 0.00 0.00 -0.00 0.97 -0.57 0.00 0.00 179.45 179.85 3e0x h ILE 28 N 0.00 0.01 -0.30 1.86 6.09 -1.79 -2.17 117.51 121.21 3e0x h ILE 28 Ca 0.00 -0.34 0.00 0.00 -1.37 0.00 0.00 64.86 63.15 3e0x h ILE 28 Cb 0.21 1.33 0.00 0.00 0.47 0.00 0.00 36.82 38.84 3e0x h ILE 28 CO 0.00 0.00 0.00 0.49 -3.07 0.00 0.00 178.15 175.57 3e0x n PHE 29 N -3.09 0.44 -0.06 2.19 3.72 -0.89 -4.53 117.46 115.24 3e0x n PHE 29 Ca -0.01 -0.21 0.05 0.00 -0.05 0.00 0.00 57.45 57.24 3e0x n PHE 29 Cb 0.22 -0.02 0.41 0.00 -0.94 0.00 0.00 39.48 39.15 3e0x n PHE 29 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 3e0x h GLY 30 N 5.28 0.67 0.98 1.37 0.00 -1.59 -0.26 103.07 109.52 3e0x h GLY 30 Ca 0.00 -0.24 -0.29 0.00 0.00 0.00 0.00 47.33 46.81 3e0x h GLY 30 CO 0.02 0.21 -1.31 0.83 0.00 0.00 0.00 176.54 176.28 3e0x h GLU 31 N 0.60 0.43 -0.68 4.80 4.39 -1.85 -3.36 114.58 118.92 3e0x h GLU 31 Ca 0.20 -0.73 -0.05 0.00 0.34 0.00 0.00 59.36 59.12 3e0x h GLU 31 Cb 0.07 0.27 -0.03 0.00 -0.10 0.00 0.00 28.75 28.96 3e0x h GLU 31 CO -0.05 1.35 0.23 1.25 -1.16 0.00 0.00 179.01 180.63 3e0x h LEU 32 N -0.05 0.95 -2.28 1.33 5.85 -1.54 -1.54 115.31 118.03 3e0x h LEU 32 Ca -0.24 -0.16 -0.01 0.00 0.84 0.00 0.00 57.88 58.31 3e0x h LEU 32 Cb 1.97 -0.25 -0.00 0.00 0.37 0.00 0.00 40.66 42.75 3e0x h LEU 32 CO 0.21 0.87 -0.05 1.05 -0.34 0.00 0.00 178.44 180.18 3e0x h GLU 33 N 0.99 0.00 0.00 1.25 4.11 -1.23 -2.24 114.58 117.47 3e0x h GLU 33 Ca 0.22 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.65 3e0x h GLU 33 Cb 0.25 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.50 3e0x h GLU 33 CO -0.01 0.05 -0.01 0.87 0.07 0.00 0.00 179.01 179.98 3e0x h LYS 34 N 0.00 0.00 -0.22 1.06 1.57 -1.42 -2.73 116.57 114.83 3e0x h LYS 34 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3e0x h LYS 34 Cb 0.18 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.49 3e0x h LYS 34 CO 0.01 0.01 0.00 0.66 -0.57 0.00 0.00 179.45 179.56 3e0x n TYR 35 N -3.14 0.28 -1.59 -1.35 4.01 -0.84 -4.43 117.16 110.09 3e0x n TYR 35 Ca -0.02 -0.22 0.06 0.00 -0.16 0.00 0.00 57.90 57.56 3e0x n TYR 35 Cb 0.17 -0.01 0.16 0.00 -0.31 0.00 0.00 39.34 39.36 3e0x n TYR 35 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 3e0x n LEU 36 N 0.85 2.33 0.15 7.72 4.77 -1.03 -4.82 117.00 126.96 3e0x n LEU 36 Ca 0.12 -3.39 0.12 0.00 -0.03 0.00 0.00 56.01 52.83 3e0x n LEU 36 Cb 0.42 -0.43 0.53 0.00 -2.33 0.00 0.00 43.42 41.62 3e0x n LEU 36 CO 0.10 1.10 0.86 -0.33 -1.33 0.00 0.00 177.39 177.79 3e0x h GLU 37 N 0.73 0.00 -0.00 3.23 5.08 -1.77 -2.09 114.58 119.75 3e0x h GLU 37 Ca -0.03 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 3e0x h GLU 37 Cb 1.12 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.37 3e0x h GLU 37 CO 0.01 0.00 -0.05 -0.25 -1.00 0.00 0.00 179.01 177.73 3e0x n ASP 38 N -2.30 0.13 -4.75 1.42 8.00 -1.26 -1.37 116.55 116.41 3e0x n ASP 38 Ca 0.01 -0.18 -0.22 0.00 0.71 0.00 0.00 54.79 55.11 3e0x n ASP 38 Cb 0.19 -0.24 -0.06 0.00 -0.02 0.00 0.00 41.12 41.00 3e0x n ASP 38 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 3e0x s TYR 39 N -2.61 2.86 -0.64 1.24 2.02 -0.79 -4.58 117.35 114.85 3e0x s TYR 39 Ca 0.26 -0.24 -0.24 0.00 -0.37 0.00 0.00 57.07 56.49 3e0x s TYR 39 Cb 0.20 -1.46 0.06 0.00 -0.40 0.00 0.00 41.96 40.35 3e0x s TYR 39 CO 0.48 0.45 1.00 1.21 -1.57 0.00 0.00 175.55 177.12 3e0x s ASN 40 N -3.82 6.21 -0.22 2.29 2.47 -0.27 -1.01 114.94 120.59 3e0x s ASN 40 Ca 0.35 -0.77 -0.09 0.00 0.42 0.00 0.00 52.86 52.77 3e0x s ASN 40 Cb -0.06 -2.44 -0.05 0.00 -1.45 0.00 0.00 41.25 37.26 3e0x s ASN 40 CO 0.23 -1.44 0.12 0.00 -3.72 0.00 0.00 177.10 172.29 3e0x s ILE 42 N 0.89 1.72 -0.22 0.00 1.01 0.19 -1.02 121.20 123.76 3e0x s ILE 42 Ca 0.06 -0.75 -0.02 0.00 0.00 0.00 0.00 60.65 59.93 3e0x s ILE 42 Cb -0.13 -1.61 0.01 0.00 0.01 0.00 0.00 42.46 40.74 3e0x s ILE 42 CO 0.03 0.46 -0.07 -0.76 0.00 0.00 0.00 174.94 174.59 3e0x s LEU 43 N 1.42 2.88 0.09 2.97 1.02 0.25 -0.75 118.68 126.56 3e0x s LEU 43 Ca 0.04 -0.59 0.02 0.00 0.02 0.00 0.00 54.13 53.63 3e0x s LEU 43 Cb -0.13 -1.68 -0.04 0.00 0.02 0.00 0.00 46.19 44.36 3e0x s LEU 43 CO -0.11 -0.05 0.14 -1.48 0.02 0.00 0.00 176.35 174.86 3e0x s LEU 44 N 1.40 4.01 -0.25 1.79 0.05 -0.87 -0.74 118.68 124.07 3e0x s LEU 44 Ca 0.04 0.08 -0.13 0.00 0.05 0.00 0.00 54.13 54.16 3e0x s LEU 44 Cb -0.15 -2.65 -0.04 0.00 -2.05 0.00 0.00 46.19 41.30 3e0x s LEU 44 CO -0.05 0.15 0.29 -1.81 -0.55 0.00 0.00 176.35 174.38 3e0x s ASP 45 N -2.55 6.21 0.72 1.48 1.01 -0.09 -4.12 116.67 119.33 3e0x s ASP 45 Ca 0.32 0.24 -0.14 0.00 0.71 0.00 0.00 52.55 53.67 3e0x s ASP 45 Cb -0.12 -2.17 0.03 0.00 1.01 0.00 0.00 42.92 41.67 3e0x s ASP 45 CO 0.24 -0.06 1.14 -0.76 0.21 0.00 0.00 175.17 175.94 3e0x s LEU 46 N 1.55 3.27 0.20 1.23 1.43 -1.26 -4.27 118.68 120.83 3e0x s LEU 46 Ca 0.12 2.09 -0.32 0.00 -1.03 0.00 0.00 54.13 54.99 3e0x s LEU 46 Cb -0.15 -4.56 -0.14 0.00 0.03 0.00 0.00 46.19 41.37 3e0x s LEU 46 CO 0.08 -2.00 1.41 1.17 0.23 0.00 0.00 176.35 177.24 3e0x n LYS 47 N -2.82 1.88 -0.80 1.70 4.81 -1.26 -0.97 118.16 120.70 3e0x n LYS 47 Ca 0.11 0.67 0.00 0.00 -0.87 0.00 0.00 58.31 58.22 3e0x n LYS 47 Cb 0.52 -2.33 0.00 0.00 0.02 0.00 0.00 35.03 33.23 3e0x n LYS 47 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3e0x n GLY 48 N 2.47 1.21 3.51 3.14 0.00 0.07 -4.20 105.19 111.38 3e0x n GLY 48 Ca 0.14 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.87 3e0x n GLY 48 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3e0x s HIS 49 N -3.72 2.55 0.00 1.61 3.76 -0.14 -4.79 115.29 114.57 3e0x s HIS 49 Ca 0.00 -0.25 0.00 0.00 -0.15 0.00 0.00 55.06 54.66 3e0x s HIS 49 Cb 0.00 -1.32 0.00 0.00 1.11 0.00 0.00 32.58 32.37 3e0x s HIS 49 CO 0.00 0.43 0.00 0.41 -0.85 0.00 0.00 174.74 174.73 3e0x n GLY 50 N 0.54 3.20 1.13 -2.22 0.00 -1.26 -1.42 105.19 105.17 3e0x n GLY 50 Ca -0.14 0.04 0.11 0.00 0.00 0.00 0.00 46.02 46.03 3e0x n GLY 50 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3e0x n GLU 51 N 14.00 2.45 -2.94 1.61 -0.58 -1.26 -4.81 120.64 129.11 3e0x n GLU 51 Ca 0.00 -2.22 -0.43 0.00 -0.42 0.00 0.00 57.16 54.09 3e0x n GLU 51 Cb 0.00 -1.50 -0.05 0.00 -0.57 0.00 0.00 31.44 29.32 3e0x n GLU 51 CO 0.00 0.00 0.00 -1.12 -0.48 0.00 0.00 177.13 175.53 3e0x s SER 52 N -1.30 6.38 0.55 1.62 0.01 -0.51 -4.72 113.70 115.73 3e0x s SER 52 Ca 0.41 -0.25 -0.18 0.00 1.31 0.00 0.00 55.95 57.24 3e0x s SER 52 Cb 0.22 -2.39 -0.05 0.00 0.21 0.00 0.00 66.02 64.01 3e0x s SER 52 CO 0.31 -1.01 1.06 -0.54 0.41 0.00 0.00 173.24 173.46 3e0x s LYS 53 N 3.44 3.48 0.00 12.44 1.02 -1.26 -0.75 119.74 138.11 3e0x s LYS 53 Ca 0.29 1.31 0.00 0.00 0.02 0.00 0.00 55.97 57.59 3e0x s LYS 53 Cb -0.13 -2.05 0.00 0.00 -0.52 0.00 0.00 37.83 35.13 3e0x s LYS 53 CO 0.21 -0.69 0.00 0.41 -0.92 0.00 0.00 175.35 174.35 3e0x n GLY 54 N -0.58 2.94 3.73 -3.33 0.00 -1.26 -4.19 105.19 102.50 3e0x n GLY 54 Ca 0.09 -1.94 -0.42 0.00 0.00 0.00 0.00 46.02 43.76 3e0x n GLY 54 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3e0x s GLN 55 N -2.07 4.35 0.13 1.61 2.00 -1.26 -3.39 119.66 121.02 3e0x s GLN 55 Ca 0.00 2.10 -0.31 0.00 -2.00 0.00 0.00 55.36 55.15 3e0x s GLN 55 Cb 0.00 -3.20 -0.09 0.00 0.80 0.00 0.00 33.01 30.52 3e0x s GLN 55 CO 0.00 -0.34 1.49 0.00 -0.50 0.00 0.00 175.29 175.93 3e0x n PRO 57 N 4.17 1.18 0.00 0.00 -0.02 -1.26 -4.91 135.00 134.15 3e0x n PRO 57 Ca 0.13 0.43 0.13 0.00 -2.02 0.00 0.00 63.50 62.17 3e0x n PRO 57 Cb 0.41 -2.06 0.31 0.00 -0.02 0.00 0.00 33.50 32.13 3e0x n PRO 57 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 3e0x n SER 58 N 0.14 0.93 -4.20 2.55 7.64 -1.26 -4.87 113.62 114.54 3e0x n SER 58 Ca 0.11 -0.75 -0.17 0.00 1.01 0.00 0.00 58.87 59.07 3e0x n SER 58 Cb 0.42 0.21 -0.11 0.00 -1.01 0.00 0.00 64.21 63.72 3e0x n SER 58 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 3e0x s THR 59 N -2.65 1.14 0.38 0.44 -4.23 -1.26 -4.03 115.64 105.42 3e0x s THR 59 Ca 0.20 -1.58 0.07 0.00 -1.18 0.00 0.00 61.69 59.20 3e0x s THR 59 Cb 0.19 -1.34 0.20 0.00 1.34 0.00 0.00 72.50 72.88 3e0x s THR 59 CO 0.58 -0.41 1.95 0.58 -0.54 0.00 0.00 174.62 176.78 3e0x h VAL 60 N 3.74 1.16 -0.98 2.29 2.07 -1.91 -2.06 116.25 120.55 3e0x h VAL 60 Ca -0.39 -0.57 0.10 0.00 0.82 0.00 0.00 66.70 66.66 3e0x h VAL 60 Cb 1.19 0.87 -0.08 0.00 -1.52 0.00 0.00 31.29 31.75 3e0x h VAL 60 CO 0.48 0.20 0.63 1.88 0.02 0.00 0.00 177.57 180.78 3e0x h TYR 61 N 0.44 1.11 -0.10 1.57 0.05 -1.96 0.99 116.97 119.08 3e0x h TYR 61 Ca 0.10 0.03 0.00 0.00 0.05 0.00 0.00 58.73 58.91 3e0x h TYR 61 Cb 0.20 -0.36 -0.00 0.00 1.01 0.00 0.00 36.73 37.58 3e0x h TYR 61 CO 0.01 0.49 0.06 0.78 -1.05 0.00 0.00 178.16 178.45 3e0x h GLY 62 N 1.01 0.14 1.01 3.88 0.00 -1.77 -1.41 103.07 105.93 3e0x h GLY 62 Ca 0.46 -0.05 0.00 0.00 0.00 0.00 0.00 47.33 47.74 3e0x h GLY 62 CO -0.22 0.05 0.57 -0.97 0.00 0.00 0.00 176.54 175.97 3e0x h TYR 63 N 0.11 1.14 -0.35 5.60 0.05 -1.23 -1.42 116.97 120.88 3e0x h TYR 63 Ca 0.04 0.01 0.03 0.00 0.05 0.00 0.00 58.73 58.86 3e0x h TYR 63 Cb 0.01 -0.38 -0.03 0.00 1.01 0.00 0.00 36.73 37.34 3e0x h TYR 63 CO -0.07 0.73 0.17 0.82 -1.05 0.00 0.00 178.16 178.77 3e0x h ILE 64 N 1.21 0.98 -0.85 -2.88 2.04 -0.58 0.35 117.51 117.76 3e0x h ILE 64 Ca 0.32 -0.12 -0.03 0.00 1.00 0.00 0.00 64.86 66.03 3e0x h ILE 64 Cb -0.10 0.59 -0.04 0.00 -0.74 0.00 0.00 36.82 36.53 3e0x h ILE 64 CO -0.07 0.06 0.42 0.44 0.00 0.00 0.00 178.15 179.01 3e0x h ASP 65 N 0.35 1.11 -0.46 1.72 3.32 -0.99 0.16 116.42 121.63 3e0x h ASP 65 Ca 0.15 -0.13 -0.03 0.00 0.02 0.00 0.00 57.03 57.04 3e0x h ASP 65 Cb 0.06 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.31 3e0x h ASP 65 CO -0.11 0.93 0.16 0.78 -1.72 0.00 0.00 179.24 179.28 3e0x h ASN 66 N 1.21 0.65 -0.33 6.45 2.35 -0.64 -1.31 115.58 123.96 3e0x h ASN 66 Ca 0.29 -0.19 -0.16 0.00 -0.55 0.00 0.00 56.30 55.70 3e0x h ASN 66 Cb 0.11 -0.17 -0.01 0.00 0.05 0.00 0.00 38.32 38.30 3e0x h ASN 66 CO -0.04 0.66 -0.39 0.58 -1.65 0.00 0.00 177.43 176.60 3e0x h VAL 67 N 0.60 1.28 -0.79 2.81 2.07 -0.60 -1.82 116.25 119.79 3e0x h VAL 67 Ca 0.15 -1.56 -0.03 0.00 0.82 0.00 0.00 66.70 66.08 3e0x h VAL 67 Cb 0.23 1.40 -0.04 0.00 -1.52 0.00 0.00 31.29 31.37 3e0x h VAL 67 CO -0.01 0.52 0.37 0.00 0.02 0.00 0.00 177.57 178.47 3e0x h ALA 68 N 0.83 1.02 -0.83 1.67 0.00 -0.89 -0.52 119.26 120.54 3e0x h ALA 68 Ca 0.06 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.81 3e0x h ALA 68 Cb 0.97 -0.31 -0.04 0.00 0.00 0.00 0.00 17.79 18.41 3e0x h ALA 68 CO 0.09 0.59 0.53 -0.97 0.00 0.00 0.00 179.25 179.49 3e0x h ASN 69 N 1.12 0.98 0.12 0.00 -1.24 -1.07 -1.34 115.58 114.15 3e0x h ASN 69 Ca 0.27 -0.04 -0.01 0.00 0.71 0.00 0.00 56.30 57.23 3e0x h ASN 69 Cb 0.13 -0.25 0.00 0.00 0.73 0.00 0.00 38.32 38.94 3e0x h ASN 69 CO -0.03 0.73 -0.06 0.15 -1.29 0.00 0.00 177.43 176.93 3e0x h PHE 70 N 1.14 -0.15 -0.50 0.67 3.57 -0.87 -1.08 116.94 119.72 3e0x h PHE 70 Ca 0.30 -0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.85 3e0x h PHE 70 Cb -0.09 0.05 -0.05 0.00 2.79 0.00 0.00 35.95 38.65 3e0x h PHE 70 CO -0.01 0.01 0.23 0.82 -2.23 0.00 0.00 178.31 177.13 3e0x h ILE 71 N -0.28 0.93 -0.10 1.41 2.04 -0.78 0.18 117.51 120.91 3e0x h ILE 71 Ca -0.02 -0.16 -0.15 0.00 1.00 0.00 0.00 64.86 65.54 3e0x h ILE 71 Cb 0.23 0.43 -0.01 0.00 -0.74 0.00 0.00 36.82 36.73 3e0x h ILE 71 CO 0.03 0.08 -0.58 0.74 0.00 0.00 0.00 178.15 178.42 3e0x h THR 72 N 0.45 1.36 0.00 -0.27 2.02 -1.17 -3.25 112.91 112.06 3e0x h THR 72 Ca 0.22 -1.90 0.00 0.00 0.77 0.00 0.00 66.41 65.51 3e0x h THR 72 Cb 0.16 1.92 0.00 0.00 -1.74 0.00 0.00 68.15 68.50 3e0x h THR 72 CO -0.18 0.57 -1.20 0.59 0.37 0.00 0.00 175.52 175.68 3e0x n ASN 73 N -3.91 3.73 -4.77 4.18 3.02 -0.42 -4.57 115.26 112.54 3e0x n ASN 73 Ca -0.02 -0.02 -0.38 0.00 -0.03 0.00 0.00 54.58 54.12 3e0x n ASN 73 Cb 0.60 1.22 -0.02 0.00 -0.61 0.00 0.00 39.78 40.98 3e0x n ASN 73 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 3e0x s SER 74 N -2.54 6.43 0.56 6.41 1.04 0.03 -4.85 113.70 120.78 3e0x s SER 74 Ca -0.02 2.40 0.30 0.00 0.48 0.00 0.00 55.95 59.11 3e0x s SER 74 Cb 0.03 -2.62 1.69 0.00 0.10 0.00 0.00 66.02 65.23 3e0x s SER 74 CO 0.21 -0.75 2.18 -0.33 0.98 0.00 0.00 173.24 175.53 3e0x h GLU 75 N 2.56 0.00 0.00 4.02 4.39 -1.95 -0.04 114.58 123.56 3e0x h GLU 75 Ca -0.49 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.21 3e0x h GLU 75 Cb 1.24 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.89 3e0x h GLU 75 CO 0.62 0.06 -0.19 -0.24 -1.16 0.00 0.00 179.01 178.09 3e0x h VAL 76 N 0.00 0.00 0.00 3.13 3.04 -1.93 -3.37 116.25 117.11 3e0x h VAL 76 Ca -0.00 -0.53 0.00 0.00 -1.01 0.00 0.00 66.70 65.16 3e0x h VAL 76 Cb 0.17 1.40 0.00 0.00 -2.01 0.00 0.00 31.29 30.85 3e0x h VAL 76 CO 0.01 0.00 -0.84 0.35 -1.01 0.00 0.00 177.57 176.07 3e0x n THR 77 N -2.29 0.00 0.27 3.17 -2.24 -1.04 -4.77 114.28 107.39 3e0x n THR 77 Ca 0.05 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 61.95 3e0x n THR 77 Cb 0.44 0.26 0.77 0.00 -2.10 0.00 0.00 70.33 69.70 3e0x n THR 77 CO 0.00 0.00 0.00 0.07 -0.57 0.00 0.00 175.07 174.57 3e0x h LYS 78 N 0.00 0.00 -0.02 -0.78 2.10 -1.04 -1.44 116.57 115.38 3e0x h LYS 78 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 3e0x h LYS 78 Cb 0.11 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.44 3e0x h LYS 78 CO 0.00 0.07 -0.10 0.72 -2.00 0.00 0.00 179.45 178.14 3e0x n HIS 79 N -3.89 0.00 -2.86 0.07 8.25 -1.26 -4.96 115.22 110.56 3e0x n HIS 79 Ca -0.02 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.03 3e0x n HIS 79 Cb 0.16 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.23 3e0x n HIS 79 CO 0.00 0.00 0.00 -0.65 0.64 0.00 0.00 176.34 176.33 3e0x s GLN 80 N -1.91 4.50 0.00 -0.41 -1.52 -0.55 -4.96 119.66 114.83 3e0x s GLN 80 Ca 0.23 1.17 0.22 0.00 -1.95 0.00 0.00 55.36 55.03 3e0x s GLN 80 Cb 0.17 -3.45 -0.12 0.00 -0.22 0.00 0.00 33.01 29.39 3e0x s GLN 80 CO 0.33 0.01 0.98 1.63 -0.25 0.00 0.00 175.29 177.98 3e0x n LYS 81 N 3.83 0.14 -3.37 2.91 4.76 -1.26 -4.66 118.16 120.52 3e0x n LYS 81 Ca 0.03 -0.12 -0.26 0.00 -2.87 0.00 0.00 58.31 55.09 3e0x n LYS 81 Cb 0.51 -1.50 -0.09 0.00 -1.84 0.00 0.00 35.03 32.12 3e0x n LYS 81 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 3e0x n ASN 82 N -1.33 0.77 -4.70 4.39 5.15 -1.26 -4.78 115.26 113.50 3e0x n ASN 82 Ca 0.05 -2.75 -0.38 0.00 -0.60 0.00 0.00 54.58 50.91 3e0x n ASN 82 Cb 0.35 -0.63 -0.07 0.00 -0.53 0.00 0.00 39.78 38.90 3e0x n ASN 82 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 3e0x s ILE 83 N -0.99 5.23 -0.18 -1.44 1.01 -0.54 -1.84 121.20 122.45 3e0x s ILE 83 Ca 0.34 0.73 -0.05 0.00 0.00 0.00 0.00 60.65 61.66 3e0x s ILE 83 Cb 0.10 -3.72 -0.03 0.00 0.01 0.00 0.00 42.46 38.82 3e0x s ILE 83 CO -0.13 0.31 0.00 -0.89 0.00 0.00 0.00 174.94 174.23 3e0x s THR 84 N 0.87 4.17 -0.03 2.92 2.01 0.42 -0.41 115.64 125.59 3e0x s THR 84 Ca 0.20 -0.25 -0.17 0.00 0.31 0.00 0.00 61.69 61.78 3e0x s THR 84 Cb -0.14 -2.86 -0.05 0.00 0.01 0.00 0.00 72.50 69.45 3e0x s THR 84 CO 0.07 0.46 0.47 -0.76 -0.69 0.00 0.00 174.62 174.17 3e0x s LEU 85 N 0.59 4.41 -0.21 4.42 1.43 -0.52 -0.86 118.68 127.93 3e0x s LEU 85 Ca -0.00 0.97 0.01 0.00 -1.03 0.00 0.00 54.13 54.07 3e0x s LEU 85 Cb -0.14 -2.70 0.05 0.00 0.03 0.00 0.00 46.19 43.44 3e0x s LEU 85 CO 0.02 0.18 -0.08 -0.63 0.23 0.00 0.00 176.35 176.07 3e0x s ILE 86 N -0.40 1.60 -0.11 -0.59 1.01 0.17 0.11 121.20 122.99 3e0x s ILE 86 Ca 0.26 -1.09 0.02 0.00 0.00 0.00 0.00 60.65 59.84 3e0x s ILE 86 Cb -0.17 -1.74 -0.01 0.00 0.01 0.00 0.00 42.46 40.55 3e0x s ILE 86 CO 0.13 0.06 -0.19 -0.83 0.00 0.00 0.00 174.94 174.12 3e0x s GLY 87 N 1.40 1.43 -0.09 6.18 0.00 0.01 -0.02 107.32 116.23 3e0x s GLY 87 Ca -0.03 -0.94 -0.01 0.00 0.00 0.00 0.00 44.72 43.74 3e0x s GLY 87 CO -0.07 -0.30 -0.04 -0.47 0.00 0.00 0.00 173.10 172.22 3e0x s TYR 88 N 0.28 3.04 0.00 1.90 5.04 -0.08 -0.17 117.35 127.35 3e0x s TYR 88 Ca -0.13 0.01 0.00 0.00 -2.44 0.00 0.00 57.07 54.50 3e0x s TYR 88 Cb -0.17 -1.80 0.00 0.00 0.35 0.00 0.00 41.96 40.35 3e0x s TYR 88 CO 0.07 0.29 0.00 0.45 -1.34 0.00 0.00 175.55 175.02 3e0x n SER 89 N 2.51 0.00 0.00 4.32 2.88 -0.69 -2.82 113.62 119.82 3e0x n SER 89 Ca -0.18 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.36 3e0x n SER 89 Cb 0.53 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.99 3e0x n SER 89 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3e0x n GLY 91 N 0.00 0.00 0.06 0.46 0.00 -1.10 -3.58 105.19 101.03 3e0x n GLY 91 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 3e0x n GLY 91 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3e0x h GLY 92 N 0.00 0.07 1.03 -0.02 0.00 -1.58 0.09 103.07 102.65 3e0x h GLY 92 Ca 0.00 -0.03 -0.02 0.00 0.00 0.00 0.00 47.33 47.28 3e0x h GLY 92 CO 0.00 0.03 0.45 0.00 0.00 0.00 0.00 176.54 177.02 3e0x h ALA 93 N 0.94 1.09 -0.36 3.60 0.00 -1.57 -2.26 119.26 120.70 3e0x h ALA 93 Ca 0.02 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 3e0x h ALA 93 Cb 0.08 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.51 3e0x h ALA 93 CO -0.00 0.61 0.20 0.82 0.00 0.00 0.00 179.25 180.88 3e0x h ILE 94 N 1.19 1.14 -0.02 0.00 2.04 -1.80 -1.00 117.51 119.05 3e0x h ILE 94 Ca 0.30 -0.35 -0.12 0.00 1.00 0.00 0.00 64.86 65.68 3e0x h ILE 94 Cb 0.05 0.71 -0.02 0.00 -0.74 0.00 0.00 36.82 36.83 3e0x h ILE 94 CO -0.05 0.14 -0.56 -0.37 0.00 0.00 0.00 178.15 177.32 3e0x h VAL 95 N 0.46 1.39 -0.67 1.67 -1.51 -0.82 0.82 116.25 117.59 3e0x h VAL 95 Ca 0.13 -1.91 -0.04 0.00 -1.23 0.00 0.00 66.70 63.66 3e0x h VAL 95 Cb 0.05 2.00 -0.03 0.00 -2.13 0.00 0.00 31.29 31.18 3e0x h VAL 95 CO -0.02 0.55 0.28 -0.07 -1.23 0.00 0.00 177.57 177.08 3e0x h LEU 96 N 0.05 0.91 -0.95 4.19 3.38 -1.17 -0.80 115.31 120.93 3e0x h LEU 96 Ca -0.00 -0.16 -0.05 0.00 0.09 0.00 0.00 57.88 57.75 3e0x h LEU 96 Cb 1.00 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 41.49 3e0x h LEU 96 CO 0.08 0.82 0.17 1.23 0.09 0.00 0.00 178.44 180.83 3e0x h GLY 97 N 0.94 1.01 1.16 0.83 0.00 -0.28 -2.62 103.07 104.10 3e0x h GLY 97 Ca 0.22 -0.58 -0.09 0.00 0.00 0.00 0.00 47.33 46.88 3e0x h GLY 97 CO -0.02 0.54 -0.01 -2.08 0.00 0.00 0.00 176.54 174.97 3e0x h VAL 98 N 0.90 1.26 -0.92 4.60 2.07 -0.64 -2.37 116.25 121.16 3e0x h VAL 98 Ca 0.20 -1.14 0.12 0.00 0.82 0.00 0.00 66.70 66.70 3e0x h VAL 98 Cb 0.29 0.83 -0.07 0.00 -1.52 0.00 0.00 31.29 30.82 3e0x h VAL 98 CO -0.00 0.41 0.59 0.00 0.02 0.00 0.00 177.57 178.58 3e0x h ALA 99 N 1.05 1.66 0.00 1.67 0.00 -0.80 -0.25 119.26 122.59 3e0x h ALA 99 Ca 0.16 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.08 3e0x h ALA 99 Cb 0.55 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.16 3e0x h ALA 99 CO 0.03 0.12 0.00 1.28 0.00 0.00 0.00 179.25 180.68 3e0x n LEU 100 N -4.56 0.53 0.10 0.00 4.77 -0.90 -1.77 117.00 115.17 3e0x n LEU 100 Ca 0.17 0.62 0.13 0.00 -0.03 0.00 0.00 56.01 56.90 3e0x n LEU 100 Cb 0.36 -0.55 0.44 0.00 -2.33 0.00 0.00 43.42 41.35 3e0x n LEU 100 CO 0.30 -0.47 0.88 0.29 -1.33 0.00 0.00 177.39 177.06 3e0x n LYS 101 N -2.08 0.22 -3.53 3.23 4.76 -0.11 -4.94 118.16 115.72 3e0x n LYS 101 Ca 0.03 0.25 -0.21 0.00 -2.87 0.00 0.00 58.31 55.50 3e0x n LYS 101 Cb 0.23 -1.79 0.08 0.00 -1.84 0.00 0.00 35.03 31.71 3e0x n LYS 101 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 3e0x n LYS 102 N -2.18 -7.33 -2.13 1.97 4.76 -0.73 -4.94 118.16 107.58 3e0x n LYS 102 Ca 0.05 0.83 -0.41 0.00 -2.87 0.00 0.00 58.31 55.91 3e0x n LYS 102 Cb 0.37 -5.87 -0.03 0.00 -1.84 0.00 0.00 35.03 27.67 3e0x n LYS 102 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 3e0x s LEU 103 N -6.88 4.41 0.51 -0.35 1.43 -1.26 -4.91 118.68 111.63 3e0x s LEU 103 Ca 0.32 2.53 0.17 0.00 -1.03 0.00 0.00 54.13 56.11 3e0x s LEU 103 Cb -0.14 -3.62 1.26 0.00 0.03 0.00 0.00 46.19 43.72 3e0x s LEU 103 CO 0.73 -0.59 2.13 1.55 0.23 0.00 0.00 176.35 180.40 3e0x h PRO 104 N 5.01 0.00 -0.02 1.29 0.13 -2.01 -2.87 132.00 133.54 3e0x h PRO 104 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 3e0x h PRO 104 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 3e0x h PRO 104 CO 0.76 0.03 -0.23 0.09 -0.23 0.00 0.00 178.00 178.42 3e0x n ASN 105 N -4.46 2.08 -4.58 1.44 3.02 -1.26 -4.82 115.26 106.68 3e0x n ASN 105 Ca -0.03 -1.55 -0.42 0.00 -0.03 0.00 0.00 54.58 52.55 3e0x n ASN 105 Cb 0.12 0.21 -0.06 0.00 -0.61 0.00 0.00 39.78 39.44 3e0x n ASN 105 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3e0x s VAL 106 N -2.27 4.79 -0.08 2.41 1.01 -1.08 -1.47 120.40 123.70 3e0x s VAL 106 Ca 0.25 0.82 0.13 0.00 0.00 0.00 0.00 61.98 63.18 3e0x s VAL 106 Cb 0.19 -4.16 -0.19 0.00 0.00 0.00 0.00 36.38 32.22 3e0x s VAL 106 CO 0.45 -0.37 0.16 0.54 0.00 0.00 0.00 175.10 175.88 3e0x n ARG 107 N 6.27 1.22 -3.67 2.72 5.12 0.45 -4.85 116.66 123.92 3e0x n ARG 107 Ca 0.02 -0.06 -0.11 0.00 -1.93 0.00 0.00 57.85 55.77 3e0x n ARG 107 Cb 0.48 -1.34 -0.05 0.00 -1.16 0.00 0.00 32.46 30.38 3e0x n ARG 107 CO 0.00 0.00 0.00 0.15 -1.93 0.00 0.00 177.63 175.85 3e0x s LYS 108 N -2.62 0.99 0.01 5.56 1.02 -1.20 -4.09 119.74 119.42 3e0x s LYS 108 Ca -0.06 -0.63 0.02 0.00 0.02 0.00 0.00 55.97 55.32 3e0x s LYS 108 Cb 0.06 0.44 -0.01 0.00 -0.52 0.00 0.00 37.83 37.80 3e0x s LYS 108 CO 0.57 -0.37 -0.06 0.08 -0.92 0.00 0.00 175.35 174.66 3e0x s VAL 109 N -3.39 0.45 -0.10 3.17 1.01 -0.67 -1.44 120.40 119.43 3e0x s VAL 109 Ca 0.01 -0.43 0.04 0.00 0.00 0.00 0.00 61.98 61.59 3e0x s VAL 109 Cb 0.01 -0.42 0.00 0.00 0.00 0.00 0.00 36.38 35.98 3e0x s VAL 109 CO -0.09 0.00 -0.23 -0.69 0.00 0.00 0.00 175.10 174.09 3e0x s VAL 110 N -0.42 2.01 -0.35 2.92 1.01 0.12 -1.05 120.40 124.64 3e0x s VAL 110 Ca -0.01 -0.99 -0.09 0.00 0.00 0.00 0.00 61.98 60.90 3e0x s VAL 110 Cb -0.04 -1.74 0.03 0.00 0.00 0.00 0.00 36.38 34.62 3e0x s VAL 110 CO -0.00 0.55 0.16 -0.55 0.00 0.00 0.00 175.10 175.25 3e0x s SER 111 N 0.41 5.53 -0.30 3.32 0.15 0.13 -0.81 113.70 122.14 3e0x s SER 111 Ca -0.17 -0.97 -0.09 0.00 0.70 0.00 0.00 55.95 55.42 3e0x s SER 111 Cb -0.18 -1.96 -0.01 0.00 -1.71 0.00 0.00 66.02 62.16 3e0x s SER 111 CO 0.07 -0.33 0.13 -0.22 1.20 0.00 0.00 173.24 174.10 3e0x s LEU 112 N 1.51 3.98 -1.32 3.45 2.96 0.76 -1.09 118.68 128.92 3e0x s LEU 112 Ca 0.01 -0.48 -0.06 0.00 -0.22 0.00 0.00 54.13 53.38 3e0x s LEU 112 Cb -0.19 -1.98 -0.00 0.00 0.50 0.00 0.00 46.19 44.52 3e0x s LEU 112 CO 0.05 -0.17 0.54 -1.20 -1.32 0.00 0.00 176.35 174.26 3e0x n SER 113 N 4.96 -1.71 0.00 3.68 7.64 0.78 -1.70 113.62 127.28 3e0x n SER 113 Ca -0.14 -1.00 0.00 0.00 1.01 0.00 0.00 58.87 58.74 3e0x n SER 113 Cb 0.49 -3.19 0.00 0.00 -1.01 0.00 0.00 64.21 60.50 3e0x n SER 113 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3e0x n GLY 114 N -1.88 5.26 0.00 0.23 0.00 -1.26 -1.89 105.19 105.66 3e0x n GLY 114 Ca -0.25 -1.48 0.00 0.00 0.00 0.00 0.00 46.02 44.29 3e0x n GLY 114 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3e0x n GLY 115 N 2.87 1.59 0.05 -0.02 0.00 -1.26 -4.49 105.19 103.93 3e0x n GLY 115 Ca 0.00 -0.94 0.08 0.00 0.00 0.00 0.00 46.02 45.17 3e0x n GLY 115 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3e0x n ALA 116 N -0.61 4.15 -3.62 4.61 0.00 -1.26 -2.75 120.51 121.03 3e0x n ALA 116 Ca 0.00 -0.50 -0.13 0.00 0.00 0.00 0.00 53.44 52.81 3e0x n ALA 116 Cb 0.00 -0.63 -0.07 0.00 0.00 0.00 0.00 19.45 18.75 3e0x n ALA 116 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 3e0x s ARG 117 N -2.57 0.75 -0.49 0.00 3.52 -1.26 -0.65 118.95 118.26 3e0x s ARG 117 Ca 0.08 0.74 0.08 0.00 -0.13 0.00 0.00 55.73 56.49 3e0x s ARG 117 Cb 0.13 0.36 0.36 0.00 -1.56 0.00 0.00 34.95 34.25 3e0x s ARG 117 CO 0.68 -0.12 0.92 1.19 -0.81 0.00 0.00 175.30 177.16 3e0x n PHE 118 N 2.21 2.81 0.98 5.12 3.72 -1.26 -4.92 117.46 126.13 3e0x n PHE 118 Ca -0.14 -3.72 0.12 0.00 -0.05 0.00 0.00 57.45 53.66 3e0x n PHE 118 Cb 0.56 -0.40 0.57 0.00 -0.94 0.00 0.00 39.48 39.27 3e0x n PHE 118 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 176.76 176.31 3e0x n ASP 119 N -0.15 0.00 -0.70 4.37 5.75 -1.26 -3.18 116.55 121.38 3e0x n ASP 119 Ca 0.29 0.33 0.07 0.00 -0.01 0.00 0.00 54.79 55.46 3e0x n ASP 119 Cb 0.53 -0.44 0.19 0.00 -1.03 0.00 0.00 41.12 40.37 3e0x n ASP 119 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 3e0x n LYS 120 N -1.44 2.88 -1.59 0.11 5.02 -1.26 -5.02 118.16 116.85 3e0x n LYS 120 Ca 0.08 -2.34 -0.47 0.00 -2.02 0.00 0.00 58.31 53.56 3e0x n LYS 120 Cb 0.27 -1.48 -0.03 0.00 -0.02 0.00 0.00 35.03 33.77 3e0x n LYS 120 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3e0x n LEU 121 N 0.05 1.84 -4.65 -0.35 4.77 -1.19 -4.73 117.00 112.74 3e0x n LEU 121 Ca 0.15 1.16 -0.52 0.00 -0.03 0.00 0.00 56.01 56.77 3e0x n LEU 121 Cb 0.60 -1.27 -0.06 0.00 -2.33 0.00 0.00 43.42 40.36 3e0x n LEU 121 CO 0.10 -1.23 1.15 -0.67 -1.33 0.00 0.00 177.39 175.42 3e0x n ASP 122 N 1.75 2.38 -0.15 -1.43 2.03 -1.26 -4.85 116.55 115.01 3e0x n ASP 122 Ca 0.13 1.08 -0.10 0.00 0.52 0.00 0.00 54.79 56.42 3e0x n ASP 122 Cb 0.28 -1.25 -0.00 0.00 -0.72 0.00 0.00 41.12 39.43 3e0x n ASP 122 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 3e0x h LYS 123 N 6.17 0.75 -0.49 -0.67 1.79 -1.99 -2.86 116.57 119.26 3e0x h LYS 123 Ca -0.47 -0.22 -0.04 0.00 -2.18 0.00 0.00 60.65 57.75 3e0x h LYS 123 Cb 1.31 -0.08 -0.02 0.00 -1.58 0.00 0.00 32.23 31.85 3e0x h LYS 123 CO 0.87 0.79 0.16 -0.44 -1.08 0.00 0.00 179.45 179.76 3e0x h ASP 124 N 0.61 0.71 0.00 0.86 3.32 -2.01 -0.39 116.42 119.51 3e0x h ASP 124 Ca 0.13 -0.20 0.00 0.00 0.02 0.00 0.00 57.03 56.98 3e0x h ASP 124 Cb 0.42 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 39.79 3e0x h ASP 124 CO 0.01 0.72 0.00 0.33 -1.72 0.00 0.00 179.24 178.58 3e0x n PHE 125 N -4.52 0.00 0.00 4.55 7.35 -1.08 -1.87 117.46 121.89 3e0x n PHE 125 Ca 0.01 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.70 3e0x n PHE 125 Cb 0.18 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.01 3e0x n PHE 125 CO 0.00 0.00 0.00 -1.91 -0.76 0.00 0.00 176.76 174.09 3e0x n GLU 127 N 0.31 0.00 -0.19 -4.13 4.07 -0.16 -1.74 120.64 118.80 3e0x n GLU 127 Ca 0.00 0.00 -0.05 0.00 -0.06 0.00 0.00 57.16 57.05 3e0x n GLU 127 Cb 0.00 0.00 0.05 0.00 -0.06 0.00 0.00 31.44 31.43 3e0x n GLU 127 CO 0.00 0.00 0.00 0.87 -0.06 0.00 0.00 177.13 177.94 3e0x h LYS 128 N 0.00 0.65 -0.50 5.31 1.57 -1.64 -2.07 116.57 119.90 3e0x h LYS 128 Ca 0.00 -0.04 0.02 0.00 -1.87 0.00 0.00 60.65 58.77 3e0x h LYS 128 Cb 0.00 -0.15 -0.03 0.00 0.08 0.00 0.00 32.23 32.13 3e0x h LYS 128 CO 0.00 0.43 0.30 0.82 -0.57 0.00 0.00 179.45 180.43 3e0x h ILE 129 N 0.67 1.04 0.00 1.86 1.08 -1.12 0.55 117.51 121.59 3e0x h ILE 129 Ca 0.23 -0.20 -0.00 0.00 -0.39 0.00 0.00 64.86 64.50 3e0x h ILE 129 Cb 0.03 0.40 -0.00 0.00 -3.07 0.00 0.00 36.82 34.19 3e0x h ILE 129 CO -0.10 0.11 -0.02 1.88 -0.69 0.00 0.00 178.15 179.32 3e0x h TYR 130 N 0.59 0.00 -0.60 1.37 0.99 -1.77 -0.13 116.97 117.43 3e0x h TYR 130 Ca 0.20 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.93 3e0x h TYR 130 Cb 0.03 0.00 0.00 0.00 1.00 0.00 0.00 36.73 37.76 3e0x h TYR 130 CO -0.07 0.02 0.00 0.72 -0.00 0.00 0.00 178.16 178.83 3e0x n HIS 131 N -3.48 1.58 -2.50 4.88 8.25 -0.07 -4.93 115.22 118.94 3e0x n HIS 131 Ca -0.03 -0.60 -0.14 0.00 -0.26 0.00 0.00 57.72 56.69 3e0x n HIS 131 Cb 0.11 -0.31 0.01 0.00 1.12 0.00 0.00 29.99 30.93 3e0x n HIS 131 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 3e0x n ASN 132 N 0.94 -4.38 -4.11 0.41 2.85 -0.06 -5.01 115.26 105.90 3e0x n ASN 132 Ca 0.25 -0.10 -0.29 0.00 -0.11 0.00 0.00 54.58 54.33 3e0x n ASN 132 Cb 0.94 -3.41 -0.17 0.00 1.24 0.00 0.00 39.78 38.38 3e0x n ASN 132 CO 0.00 0.00 0.00 -1.10 -2.11 0.00 0.00 177.26 174.05 3e0x s GLN 133 N -4.98 2.46 -0.33 1.20 -1.52 -0.01 -4.99 119.66 111.48 3e0x s GLN 133 Ca 0.10 -0.66 -0.11 0.00 -1.95 0.00 0.00 55.36 52.73 3e0x s GLN 133 Cb -0.04 -1.99 -0.01 0.00 -0.22 0.00 0.00 33.01 30.75 3e0x s GLN 133 CO 0.12 0.03 0.20 -1.17 -0.25 0.00 0.00 175.29 174.22 3e0x s LEU 134 N 0.73 4.39 -0.84 2.90 0.20 -1.26 -2.70 118.68 122.10 3e0x s LEU 134 Ca -0.11 -0.53 -0.25 0.00 0.69 0.00 0.00 54.13 53.92 3e0x s LEU 134 Cb -0.16 -2.07 0.04 0.00 -0.43 0.00 0.00 46.19 43.56 3e0x s LEU 134 CO 0.02 -0.24 1.35 -0.62 -0.29 0.00 0.00 176.35 176.57 3e0x s ASP 135 N 1.66 6.28 0.37 3.68 -1.08 -1.26 -4.86 116.67 121.46 3e0x s ASP 135 Ca 0.05 -0.82 0.09 0.00 -0.52 0.00 0.00 52.55 51.35 3e0x s ASP 135 Cb -0.17 -2.56 0.71 0.00 -1.46 0.00 0.00 42.92 39.43 3e0x s ASP 135 CO 0.08 -1.72 1.86 -1.13 0.52 0.00 0.00 175.17 174.78 3e0x h ASN 136 N 9.98 0.20 -0.71 -0.34 -1.24 -1.99 -1.73 115.58 119.74 3e0x h ASN 136 Ca -0.10 -0.05 0.02 0.00 0.71 0.00 0.00 56.30 56.88 3e0x h ASN 136 Cb 1.04 -0.05 -0.04 0.00 0.73 0.00 0.00 38.32 39.99 3e0x h ASN 136 CO 1.34 0.43 0.46 -1.13 -1.29 0.00 0.00 177.43 177.23 3e0x h ASN 137 N 0.19 0.77 -0.30 1.15 -1.24 -1.99 -0.26 115.58 113.90 3e0x h ASN 137 Ca 0.03 -0.01 -0.18 0.00 0.71 0.00 0.00 56.30 56.85 3e0x h ASN 137 Cb 0.49 -0.18 -0.00 0.00 0.73 0.00 0.00 38.32 39.36 3e0x h ASN 137 CO 0.03 0.54 -0.52 0.22 -1.29 0.00 0.00 177.43 176.42 3e0x h TYR 138 N 0.91 1.10 -0.46 0.67 3.20 -1.84 -1.47 116.97 119.08 3e0x h TYR 138 Ca 0.28 -0.38 0.04 0.00 3.14 0.00 0.00 58.73 61.80 3e0x h TYR 138 Cb -0.04 -0.21 -0.04 0.00 1.54 0.00 0.00 36.73 37.98 3e0x h TYR 138 CO -0.03 1.21 0.23 -0.07 -1.64 0.00 0.00 178.16 177.85 3e0x h LEU 139 N 0.69 0.32 -0.94 2.82 3.38 -1.00 -0.43 115.31 120.15 3e0x h LEU 139 Ca 0.02 0.03 -0.04 0.00 0.09 0.00 0.00 57.88 57.97 3e0x h LEU 139 Cb 1.12 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 41.81 3e0x h LEU 139 CO 0.12 0.23 0.25 -0.07 0.09 0.00 0.00 178.44 179.05 3e0x h LEU 140 N 0.45 0.94 -0.93 1.67 3.38 -0.89 -1.74 115.31 118.18 3e0x h LEU 140 Ca 0.20 -0.15 -0.03 0.00 0.09 0.00 0.00 57.88 57.99 3e0x h LEU 140 Cb 0.11 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.58 3e0x h LEU 140 CO -0.14 0.85 0.38 -0.08 0.09 0.00 0.00 178.44 179.54 3e0x h GLU 141 N 0.99 1.15 -0.21 1.13 4.81 -0.41 0.19 114.58 122.22 3e0x h GLU 141 Ca 0.23 -0.16 -0.09 0.00 -0.13 0.00 0.00 59.36 59.20 3e0x h GLU 141 Cb 0.23 -0.21 -0.01 0.00 0.63 0.00 0.00 28.75 29.38 3e0x h GLU 141 CO -0.02 0.88 -0.26 0.00 -0.73 0.00 0.00 179.01 178.89 3e0x n ILE 143 N -4.13 0.00 -0.62 0.00 -5.35 -0.76 -1.41 119.36 107.09 3e0x n ILE 143 Ca -0.01 -0.09 0.00 0.00 -0.27 0.00 0.00 62.75 62.39 3e0x n ILE 143 Cb 0.40 0.25 0.00 0.00 -1.74 0.00 0.00 39.64 38.54 3e0x n ILE 143 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3e0x n GLY 144 N 1.36 0.70 0.07 3.28 0.00 -0.78 -3.93 105.19 105.90 3e0x n GLY 144 Ca 0.11 -0.60 0.01 0.00 0.00 0.00 0.00 46.02 45.54 3e0x n GLY 144 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3e0x n GLY 145 N -2.40 -1.60 0.62 -0.02 0.00 0.60 -4.70 105.19 97.69 3e0x n GLY 145 Ca 0.00 -1.50 0.09 0.00 0.00 0.00 0.00 46.02 44.61 3e0x n GLY 145 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3e0x n ILE 146 N -1.79 2.15 -0.20 -0.61 -6.64 -1.26 -4.63 119.36 106.37 3e0x n ILE 146 Ca -0.00 -2.01 -0.03 0.00 -1.77 0.00 0.00 62.75 58.94 3e0x n ILE 146 Cb 0.03 -0.25 0.17 0.00 -1.44 0.00 0.00 39.64 38.16 3e0x n ILE 146 CO 0.00 0.00 0.00 0.44 -1.77 0.00 0.00 176.55 175.22 3e0x h ASP 147 N 1.20 0.89 -2.70 7.28 3.32 -1.96 -3.32 116.42 121.12 3e0x h ASP 147 Ca 0.00 -0.12 -0.54 0.00 0.02 0.00 0.00 57.03 56.39 3e0x h ASP 147 Cb 1.29 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 40.62 3e0x h ASP 147 CO 0.15 0.79 1.00 0.21 -1.72 0.00 0.00 179.24 179.67 3e0x s ASN 148 N -6.47 6.69 0.49 6.45 3.84 -1.26 -4.88 114.94 119.79 3e0x s ASN 148 Ca -0.11 2.29 0.16 0.00 0.21 0.00 0.00 52.86 55.42 3e0x s ASN 148 Cb 0.16 -2.55 1.19 0.00 -0.55 0.00 0.00 41.25 39.50 3e0x s ASN 148 CO 0.81 -0.87 2.08 1.55 -2.79 0.00 0.00 177.10 177.88 3e0x h PRO 149 N 8.73 0.15 -0.76 0.43 0.13 -1.99 0.11 132.00 138.80 3e0x h PRO 149 Ca -0.40 -0.01 -0.04 0.00 -0.87 0.00 0.00 66.00 64.68 3e0x h PRO 149 Cb 1.19 -0.03 -0.03 0.00 0.13 0.00 0.00 31.00 32.25 3e0x h PRO 149 CO 0.93 0.10 0.31 -0.07 -0.23 0.00 0.00 178.00 179.05 3e0x h LEU 150 N 0.16 1.03 -0.56 1.56 3.38 -1.91 -2.15 115.31 116.82 3e0x h LEU 150 Ca 0.12 -0.17 -0.06 0.00 0.09 0.00 0.00 57.88 57.86 3e0x h LEU 150 Cb 0.27 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 3e0x h LEU 150 CO -0.02 0.92 0.12 0.28 0.09 0.00 0.00 178.44 179.83 3e0x h SER 151 N 1.09 0.86 -0.35 -0.43 0.02 -1.13 -0.62 113.55 112.99 3e0x h SER 151 Ca 0.25 -0.24 0.03 0.00 -0.84 0.00 0.00 61.79 60.99 3e0x h SER 151 Cb 0.20 -0.23 -0.03 0.00 0.14 0.00 0.00 62.40 62.48 3e0x h SER 151 CO -0.02 0.88 0.17 -0.08 -1.14 0.00 0.00 176.83 176.64 3e0x h GLU 152 N 0.80 0.34 -0.03 3.45 4.81 -1.01 0.52 114.58 123.46 3e0x h GLU 152 Ca 0.17 -0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.38 3e0x h GLU 152 Cb 0.37 -0.08 -0.00 0.00 0.63 0.00 0.00 28.75 29.67 3e0x h GLU 152 CO 0.01 0.22 0.02 -0.22 -0.73 0.00 0.00 179.01 178.31 3e0x h LYS 153 N 0.35 0.04 0.00 1.92 3.64 -1.14 -3.05 116.57 118.32 3e0x h LYS 153 Ca 0.15 -0.00 -0.12 0.00 -1.27 0.00 0.00 60.65 59.40 3e0x h LYS 153 Cb 0.07 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 31.86 3e0x h LYS 153 CO -0.11 0.06 -0.58 1.88 -2.27 0.00 0.00 179.45 178.43 3e0x h TYR 154 N 0.01 0.00 -0.41 1.91 0.05 -0.88 -2.68 116.97 114.97 3e0x h TYR 154 Ca 0.01 0.00 0.01 0.00 0.05 0.00 0.00 58.73 58.80 3e0x h TYR 154 Cb 0.03 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 37.75 3e0x h TYR 154 CO -0.07 0.58 0.27 0.35 -1.05 0.00 0.00 178.16 178.24 3e0x h PHE 155 N 0.00 0.50 0.00 4.88 3.57 -0.89 -1.54 116.94 123.46 3e0x h PHE 155 Ca -0.01 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.51 3e0x h PHE 155 Cb 1.33 -0.17 0.00 0.00 2.79 0.00 0.00 35.95 39.90 3e0x h PHE 155 CO 0.00 0.31 0.00 0.39 -2.23 0.00 0.00 178.31 176.78 3e0x n GLU 156 N -4.48 0.08 0.00 1.11 -0.58 -1.01 -2.48 120.64 113.28 3e0x n GLU 156 Ca 0.03 0.22 0.14 0.00 -0.42 0.00 0.00 57.16 57.14 3e0x n GLU 156 Cb 0.07 -1.62 0.66 0.00 -0.57 0.00 0.00 31.44 29.98 3e0x n GLU 156 CO 0.00 0.00 0.00 0.25 -0.48 0.00 0.00 177.13 176.90 3e0x n THR 157 N -1.76 0.00 -1.74 2.62 -2.24 -0.58 -4.87 114.28 105.71 3e0x n THR 157 Ca 0.04 -0.01 -0.36 0.00 -2.27 0.00 0.00 64.05 61.46 3e0x n THR 157 Cb 0.26 -0.42 0.06 0.00 -2.10 0.00 0.00 70.33 68.13 3e0x n THR 157 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3e0x s LEU 158 N -2.76 3.52 0.35 3.22 1.02 -1.04 -4.61 118.68 118.38 3e0x s LEU 158 Ca 0.22 2.45 -0.28 0.00 0.02 0.00 0.00 54.13 56.54 3e0x s LEU 158 Cb 0.20 -4.60 -0.12 0.00 0.02 0.00 0.00 46.19 41.68 3e0x s LEU 158 CO 0.50 -1.94 1.28 -0.62 0.02 0.00 0.00 176.35 175.60 3e0x n GLU 159 N -2.07 2.10 0.08 1.70 -0.58 0.02 -4.92 120.64 116.97 3e0x n GLU 159 Ca 0.14 0.74 -0.01 0.00 -0.42 0.00 0.00 57.16 57.61 3e0x n GLU 159 Cb 0.49 -2.32 -0.04 0.00 -0.57 0.00 0.00 31.44 29.00 3e0x n GLU 159 CO 0.00 0.00 0.00 0.87 -0.48 0.00 0.00 177.13 177.52 3e0x h LYS 160 N 2.51 0.00 -6.32 3.49 1.57 -1.90 -3.43 116.57 112.49 3e0x h LYS 160 Ca -0.46 0.00 -0.57 0.00 -1.87 0.00 0.00 60.65 57.75 3e0x h LYS 160 Cb 1.28 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 33.53 3e0x h LYS 160 CO 0.62 0.55 0.83 0.34 -0.57 0.00 0.00 179.45 181.23 3e0x s ASP 161 N -6.31 6.89 0.22 0.86 -1.08 -1.26 -4.91 116.67 111.08 3e0x s ASP 161 Ca 0.01 0.98 0.18 0.00 -0.52 0.00 0.00 52.55 53.20 3e0x s ASP 161 Cb 0.08 -2.54 0.88 0.00 -1.46 0.00 0.00 42.92 39.89 3e0x s ASP 161 CO 0.78 -0.90 1.56 -0.81 0.52 0.00 0.00 175.17 176.32 3e0x n PRO 162 N 6.92 0.12 0.25 4.34 -0.04 -1.26 -1.97 135.00 143.36 3e0x n PRO 162 Ca 0.12 0.51 0.11 0.00 -0.04 0.00 0.00 63.50 64.19 3e0x n PRO 162 Cb 0.47 -1.82 0.65 0.00 -0.04 0.00 0.00 33.50 32.77 3e0x n PRO 162 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 3e0x h ASP 163 N 0.00 0.00 0.00 3.54 3.32 -1.97 -2.12 116.42 119.19 3e0x h ASP 163 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3e0x h ASP 163 Cb 0.15 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.70 3e0x h ASP 163 CO 0.00 0.16 0.00 -0.38 -1.72 0.00 0.00 179.24 177.30 3e0x n ILE 164 N -3.75 0.18 0.00 0.35 5.41 -0.83 -1.40 119.36 119.31 3e0x n ILE 164 Ca -0.02 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.73 3e0x n ILE 164 Cb 0.26 -0.44 0.00 0.00 -0.71 0.00 0.00 39.64 38.76 3e0x n ILE 164 CO 0.00 0.00 0.00 -0.38 0.00 0.00 0.00 176.55 176.17 3e0x n ILE 166 N 0.37 0.00 -0.13 1.39 5.41 -0.80 -1.20 119.36 124.40 3e0x n ILE 166 Ca 0.00 0.00 -0.04 0.00 1.00 0.00 0.00 62.75 63.71 3e0x n ILE 166 Cb 0.18 0.00 0.04 0.00 -0.71 0.00 0.00 39.64 39.15 3e0x n ILE 166 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 176.55 175.42 3e0x h ASN 167 N 0.00 0.00 -0.21 4.38 -1.24 -1.50 -1.71 115.58 115.30 3e0x h ASN 167 Ca 0.00 0.07 -0.16 0.00 0.71 0.00 0.00 56.30 56.92 3e0x h ASN 167 Cb 0.00 0.10 -0.00 0.00 0.73 0.00 0.00 38.32 39.15 3e0x h ASN 167 CO 0.00 0.03 -0.47 0.44 -1.29 0.00 0.00 177.43 176.14 3e0x h ASP 168 N 0.21 0.85 -0.01 1.15 3.32 -1.42 -1.16 116.42 119.36 3e0x h ASP 168 Ca 0.21 -0.42 -0.11 0.00 0.02 0.00 0.00 57.03 56.73 3e0x h ASP 168 Cb 0.26 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.56 3e0x h ASP 168 CO -0.27 1.18 -0.32 -0.07 -1.72 0.00 0.00 179.24 178.04 3e0x h LEU 169 N 0.62 0.48 -0.47 1.55 3.38 -1.77 -0.35 115.31 118.75 3e0x h LEU 169 Ca 0.03 -0.18 -0.05 0.00 0.09 0.00 0.00 57.88 57.78 3e0x h LEU 169 Cb 1.04 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.64 3e0x h LEU 169 CO 0.10 0.77 0.12 0.40 0.09 0.00 0.00 178.44 179.92 3e0x h ILE 170 N 0.40 1.24 -0.99 1.22 2.04 -1.18 -0.33 117.51 119.91 3e0x h ILE 170 Ca 0.05 -0.82 0.06 0.00 1.00 0.00 0.00 64.86 65.14 3e0x h ILE 170 Cb 0.75 0.88 -0.06 0.00 -0.74 0.00 0.00 36.82 37.65 3e0x h ILE 170 CO 0.06 0.29 0.64 0.00 0.00 0.00 0.00 178.15 179.15 3e0x h ALA 171 N 0.98 1.40 -0.46 1.87 0.00 -0.79 -1.35 119.26 120.91 3e0x h ALA 171 Ca 0.15 -0.03 -0.12 0.00 0.00 0.00 0.00 54.91 54.90 3e0x h ALA 171 Cb 0.32 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 3e0x h ALA 171 CO 0.00 0.47 -0.20 0.00 0.00 0.00 0.00 179.25 179.52 3e0x h LYS 173 N 0.81 0.00 0.05 0.00 3.64 -0.41 -3.09 116.57 117.57 3e0x h LYS 173 Ca 0.11 0.00 -0.25 0.00 -1.27 0.00 0.00 60.65 59.24 3e0x h LYS 173 Cb 0.76 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.56 3e0x h LYS 173 CO 0.06 0.26 -1.23 -0.07 -2.27 0.00 0.00 179.45 176.20 3e0x h LEU 174 N 0.00 0.17 -9.83 5.20 3.38 -0.89 -3.46 115.31 109.88 3e0x h LEU 174 Ca -0.00 -0.20 -0.52 0.00 0.09 0.00 0.00 57.88 57.25 3e0x h LEU 174 Cb 0.55 -0.06 0.05 0.00 0.09 0.00 0.00 40.66 41.29 3e0x h LEU 174 CO 0.03 1.16 0.59 -0.51 0.09 0.00 0.00 178.44 179.80 3e0x s ILE 175 N -2.67 3.02 -0.35 1.22 1.10 -0.73 -5.01 121.20 117.78 3e0x s ILE 175 Ca -0.03 1.00 0.03 0.00 -0.51 0.00 0.00 60.65 61.14 3e0x s ILE 175 Cb 0.09 -3.64 0.15 0.00 0.15 0.00 0.00 42.46 39.21 3e0x s ILE 175 CO 0.84 0.23 0.37 -0.62 -2.11 0.00 0.00 174.94 173.65 3e0x s ASP 176 N -0.51 1.11 0.00 4.50 -1.08 -1.25 -4.25 116.67 115.20 3e0x s ASP 176 Ca 0.48 -1.33 0.21 0.00 -0.52 0.00 0.00 52.55 51.39 3e0x s ASP 176 Cb -0.37 0.63 0.53 0.00 -1.46 0.00 0.00 42.92 42.26 3e0x s ASP 176 CO 0.47 -0.29 1.45 0.18 0.52 0.00 0.00 175.17 177.51 3e0x n LEU 177 N 4.51 3.07 -0.21 -1.34 4.77 0.18 -4.67 117.00 123.31 3e0x n LEU 177 Ca 0.08 -1.42 -0.03 0.00 -0.03 0.00 0.00 56.01 54.60 3e0x n LEU 177 Cb 0.46 -0.30 0.07 0.00 -2.33 0.00 0.00 43.42 41.32 3e0x n LEU 177 CO 0.06 0.71 1.08 0.58 -1.33 0.00 0.00 177.39 178.50 3e0x h VAL 178 N 3.67 1.02 0.00 4.08 2.07 -1.94 -1.38 116.25 123.77 3e0x h VAL 178 Ca 0.00 -0.23 0.00 0.00 0.82 0.00 0.00 66.70 67.29 3e0x h VAL 178 Cb 0.82 0.28 0.00 0.00 -1.52 0.00 0.00 31.29 30.87 3e0x h VAL 178 CO 0.00 0.12 0.00 -0.90 0.02 0.00 0.00 177.57 176.81 3e0x n ASP 179 N -4.77 0.00 -0.07 0.57 5.68 -1.26 -2.05 116.55 114.65 3e0x n ASP 179 Ca 0.06 -0.88 0.07 0.00 -0.50 0.00 0.00 54.79 53.54 3e0x n ASP 179 Cb 0.12 0.00 -0.07 0.00 -1.14 0.00 0.00 41.12 40.03 3e0x n ASP 179 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 3e0x n ASN 180 N -0.98 0.89 -0.14 -1.12 5.03 -0.54 -4.59 115.26 113.81 3e0x n ASN 180 Ca 0.20 -0.95 0.09 0.00 0.87 0.00 0.00 54.58 54.79 3e0x n ASN 180 Cb 0.09 0.90 0.41 0.00 -1.02 0.00 0.00 39.78 40.16 3e0x n ASN 180 CO 0.00 0.00 0.00 -0.07 -1.83 0.00 0.00 177.26 175.36 3e0x h LEU 181 N 0.34 0.54 -1.84 3.41 3.38 -1.20 0.05 115.31 119.99 3e0x h LEU 181 Ca 0.00 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.98 3e0x h LEU 181 Cb 0.40 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.04 3e0x h LEU 181 CO 0.00 0.34 0.00 0.07 0.09 0.00 0.00 178.44 178.94 3e0x h LYS 182 N 0.61 0.00 -0.01 1.13 2.10 -1.78 -1.76 116.57 116.86 3e0x h LYS 182 Ca 0.30 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.95 3e0x h LYS 182 Cb 0.37 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.70 3e0x h LYS 182 CO -0.09 0.00 -0.09 0.09 -2.00 0.00 0.00 179.45 177.35 3e0x n ASN 183 N -2.56 1.41 -4.68 7.07 5.03 0.01 -4.77 115.26 116.77 3e0x n ASN 183 Ca -0.01 -1.32 -0.42 0.00 0.87 0.00 0.00 54.58 53.69 3e0x n ASN 183 Cb 0.08 0.05 -0.03 0.00 -1.02 0.00 0.00 39.78 38.87 3e0x n ASN 183 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 3e0x s ILE 184 N -2.17 4.47 -0.23 2.41 1.01 -0.66 -4.93 121.20 121.09 3e0x s ILE 184 Ca 0.33 1.77 0.22 0.00 0.00 0.00 0.00 60.65 62.96 3e0x s ILE 184 Cb 0.20 -4.14 0.01 0.00 0.01 0.00 0.00 42.46 38.55 3e0x s ILE 184 CO 0.40 -0.02 1.07 0.44 0.00 0.00 0.00 174.94 176.83 3e0x h ASP 185 N 7.37 0.00 -1.84 3.58 3.32 -1.89 -3.41 116.42 123.54 3e0x h ASP 185 Ca -0.32 0.00 -0.46 0.00 0.02 0.00 0.00 57.03 56.28 3e0x h ASP 185 Cb 1.15 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.69 3e0x h ASP 185 CO 0.88 0.10 -0.38 0.27 -1.72 0.00 0.00 179.24 178.39 3e0x s ILE 186 N -3.28 4.03 0.33 0.35 -4.36 -1.26 -4.94 121.20 112.08 3e0x s ILE 186 Ca -0.00 -1.09 -0.29 0.00 -0.26 0.00 0.00 60.65 59.01 3e0x s ILE 186 Cb 0.09 -3.39 -0.10 0.00 1.25 0.00 0.00 42.46 40.31 3e0x s ILE 186 CO 0.78 -0.18 1.30 -2.84 0.24 0.00 0.00 174.94 174.25 3e0x s PRO 187 N -4.11 4.36 -0.05 0.37 0.02 -1.26 -4.68 135.00 129.65 3e0x s PRO 187 Ca 0.43 2.21 0.03 0.00 0.02 0.00 0.00 61.00 63.69 3e0x s PRO 187 Cb -0.09 -3.07 0.01 0.00 0.02 0.00 0.00 34.50 31.37 3e0x s PRO 187 CO 0.30 -0.18 -0.13 0.08 -0.33 0.00 0.00 177.00 176.74 3e0x s VAL 188 N -1.12 1.11 -0.07 3.83 1.01 -0.51 -1.66 120.40 122.98 3e0x s VAL 188 Ca 0.49 -0.51 0.05 0.00 0.00 0.00 0.00 61.98 62.02 3e0x s VAL 188 Cb -0.40 -0.99 -0.01 0.00 0.00 0.00 0.00 36.38 34.99 3e0x s VAL 188 CO 0.53 0.34 -0.24 -0.75 0.00 0.00 0.00 175.10 174.98 3e0x s LYS 189 N 0.37 2.60 -0.10 2.72 2.20 -0.21 -1.08 119.74 126.23 3e0x s LYS 189 Ca -0.08 -0.86 -0.03 0.00 -0.36 0.00 0.00 55.97 54.64 3e0x s LYS 189 Cb -0.13 -2.13 -0.03 0.00 -1.51 0.00 0.00 37.83 34.03 3e0x s LYS 189 CO 0.02 0.31 0.01 0.00 -0.36 0.00 0.00 175.35 175.33 3e0x s ALA 190 N 0.01 3.31 -0.05 3.13 0.00 -0.31 -0.69 121.76 127.17 3e0x s ALA 190 Ca -0.08 -0.79 0.02 0.00 0.00 0.00 0.00 51.96 51.10 3e0x s ALA 190 Cb -0.15 -1.54 0.02 0.00 0.00 0.00 0.00 23.12 21.45 3e0x s ALA 190 CO 0.05 0.54 -0.08 0.42 0.00 0.00 0.00 175.76 176.70 3e0x s ILE 191 N -0.74 0.77 0.10 0.00 1.01 -0.25 -0.87 121.20 121.22 3e0x s ILE 191 Ca 0.12 -0.27 -0.25 0.00 0.00 0.00 0.00 60.65 60.24 3e0x s ILE 191 Cb -0.12 -0.74 0.07 0.00 0.01 0.00 0.00 42.46 41.68 3e0x s ILE 191 CO 0.02 0.27 0.63 0.54 0.00 0.00 0.00 174.94 176.41 3e0x s VAL 192 N 0.77 0.00 -0.06 2.92 0.11 -0.75 -0.15 120.40 123.24 3e0x s VAL 192 Ca -0.13 0.00 -0.14 0.00 -2.93 0.00 0.00 61.98 58.78 3e0x s VAL 192 Cb -0.15 -1.00 -0.05 0.00 -1.53 0.00 0.00 36.38 33.65 3e0x s VAL 192 CO 0.02 0.00 0.37 0.00 -3.33 0.00 0.00 175.10 172.16 3e0x s ALA 193 N -3.04 3.66 0.45 1.54 0.00 -1.26 -0.89 121.76 122.23 3e0x s ALA 193 Ca -0.02 -0.30 0.12 0.00 0.00 0.00 0.00 51.96 51.75 3e0x s ALA 193 Cb -0.01 -2.39 1.04 0.00 0.00 0.00 0.00 23.12 21.76 3e0x s ALA 193 CO -0.07 0.33 2.08 -0.22 0.00 0.00 0.00 175.76 177.88 3e0x h LYS 194 N 5.47 0.32 -0.11 0.00 3.64 -0.65 -2.05 116.57 123.19 3e0x h LYS 194 Ca -0.48 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 58.88 3e0x h LYS 194 Cb 1.20 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.95 3e0x h LYS 194 CO 0.66 0.21 0.00 -0.40 -2.27 0.00 0.00 179.45 177.66 3e0x n ASP 195 N -4.49 0.64 -4.62 4.20 5.75 -1.23 -4.68 116.55 112.12 3e0x n ASP 195 Ca 0.02 -1.93 -0.46 0.00 -0.01 0.00 0.00 54.79 52.41 3e0x n ASP 195 Cb 0.13 -0.08 -0.03 0.00 -1.03 0.00 0.00 41.12 40.11 3e0x n ASP 195 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 3e0x n GLU 196 N -0.18 1.59 -0.04 0.11 -0.58 -0.77 -4.75 120.64 116.01 3e0x n GLU 196 Ca 0.06 0.56 0.03 0.00 -0.42 0.00 0.00 57.16 57.39 3e0x n GLU 196 Cb 0.11 -2.10 -0.17 0.00 -0.57 0.00 0.00 31.44 28.71 3e0x n GLU 196 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 3e0x n LEU 197 N 1.83 0.00 0.00 -4.62 4.77 -1.26 -4.64 117.00 113.08 3e0x n LEU 197 Ca 0.12 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.10 3e0x n LEU 197 Cb 0.29 0.19 0.00 0.00 -2.33 0.00 0.00 43.42 41.58 3e0x n LEU 197 CO 0.61 0.19 0.00 -0.11 -1.33 0.00 0.00 177.39 176.76 3e0x n LEU 198 N -2.45 0.02 -4.41 2.23 7.94 -1.26 -4.69 117.00 114.38 3e0x n LEU 198 Ca -0.15 0.02 -0.45 0.00 -1.11 0.00 0.00 56.01 54.32 3e0x n LEU 198 Cb 0.80 -0.43 -0.01 0.00 0.53 0.00 0.00 43.42 44.31 3e0x n LEU 198 CO 0.45 -0.43 1.01 0.42 -1.11 0.00 0.00 177.39 177.73 3e0x s THR 199 N -0.87 5.30 0.57 1.96 -4.23 -1.26 -4.83 115.64 112.28 3e0x s THR 199 Ca 0.00 -2.59 -0.19 0.00 -1.18 0.00 0.00 61.69 57.73 3e0x s THR 199 Cb 0.00 -4.74 -0.06 0.00 1.34 0.00 0.00 72.50 69.03 3e0x s THR 199 CO 0.00 -1.40 0.88 0.18 -0.54 0.00 0.00 174.62 173.74 3e0x n LEU 200 N 4.85 2.91 -0.03 4.79 4.77 -1.26 -4.78 117.00 128.25 3e0x n LEU 200 Ca 0.27 0.83 0.08 0.00 -0.03 0.00 0.00 56.01 57.16 3e0x n LEU 200 Cb 0.44 -1.34 0.48 0.00 -2.33 0.00 0.00 43.42 40.67 3e0x n LEU 200 CO 0.51 -2.05 1.17 1.62 -1.33 0.00 0.00 177.39 177.31 3e0x h VAL 201 N 0.60 0.99 -0.10 4.08 3.04 -1.83 -1.26 116.25 121.77 3e0x h VAL 201 Ca -0.47 -0.15 0.03 0.00 -1.01 0.00 0.00 66.70 65.09 3e0x h VAL 201 Cb 1.37 0.50 -0.00 0.00 -2.01 0.00 0.00 31.29 31.15 3e0x h VAL 201 CO 0.51 0.08 0.08 1.05 -1.01 0.00 0.00 177.57 178.28 3e0x h GLU 202 N 0.45 0.00 -0.47 4.17 4.11 -1.96 -0.43 114.58 120.45 3e0x h GLU 202 Ca 0.20 0.00 -0.10 0.00 0.07 0.00 0.00 59.36 59.53 3e0x h GLU 202 Cb 0.24 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.48 3e0x h GLU 202 CO -0.05 0.00 -0.12 1.88 0.07 0.00 0.00 179.01 180.78 3e0x h TYR 203 N 0.00 0.96 -0.06 2.06 0.05 -1.55 -1.87 116.97 116.56 3e0x h TYR 203 Ca 0.05 -0.19 -0.15 0.00 0.05 0.00 0.00 58.73 58.49 3e0x h TYR 203 Cb 0.21 -0.24 -0.01 0.00 1.01 0.00 0.00 36.73 37.70 3e0x h TYR 203 CO 0.00 0.93 -0.63 0.77 -1.05 0.00 0.00 178.16 178.19 3e0x h SER 204 N 0.77 0.28 -0.40 3.88 0.02 -1.20 -2.85 113.55 114.05 3e0x h SER 204 Ca 0.12 -0.16 -0.05 0.00 -0.84 0.00 0.00 61.79 60.86 3e0x h SER 204 Cb 0.64 -0.08 -0.02 0.00 0.14 0.00 0.00 62.40 63.08 3e0x h SER 204 CO 0.04 0.83 0.07 -0.33 -1.14 0.00 0.00 176.83 176.31 3e0x h GLU 205 N 0.18 0.74 -0.62 3.45 4.39 -0.88 -1.86 114.58 119.98 3e0x h GLU 205 Ca -0.01 -0.16 -0.06 0.00 0.34 0.00 0.00 59.36 59.47 3e0x h GLU 205 Cb 1.14 -0.11 -0.03 0.00 -0.10 0.00 0.00 28.75 29.66 3e0x h GLU 205 CO 0.10 0.71 0.14 0.82 -1.16 0.00 0.00 179.01 179.61 3e0x h ILE 206 N 0.71 1.26 -0.39 3.13 2.04 -1.20 -0.35 117.51 122.71 3e0x h ILE 206 Ca 0.15 -0.94 0.02 0.00 1.00 0.00 0.00 64.86 65.09 3e0x h ILE 206 Cb 0.33 0.68 -0.03 0.00 -0.74 0.00 0.00 36.82 37.06 3e0x h ILE 206 CO 0.01 0.35 0.21 0.40 0.00 0.00 0.00 178.15 179.12 3e0x h ILE 207 N 0.92 1.02 -0.72 -0.67 2.04 -1.23 -0.75 117.51 118.11 3e0x h ILE 207 Ca 0.19 -0.15 -0.00 0.00 1.00 0.00 0.00 64.86 65.90 3e0x h ILE 207 Cb 0.38 0.54 -0.03 0.00 -0.74 0.00 0.00 36.82 36.97 3e0x h ILE 207 CO 0.00 0.08 0.44 0.50 0.00 0.00 0.00 178.15 179.17 3e0x h LYS 208 N 0.44 0.97 -0.48 2.37 1.63 -1.15 -1.56 116.57 118.80 3e0x h LYS 208 Ca 0.16 -0.08 -0.05 0.00 -0.85 0.00 0.00 60.65 59.82 3e0x h LYS 208 Cb 0.03 -0.21 -0.02 0.00 -0.60 0.00 0.00 32.23 31.43 3e0x h LYS 208 CO -0.09 0.69 0.10 -0.22 -3.45 0.00 0.00 179.45 176.48 3e0x h LYS 209 N 0.98 0.78 0.07 1.90 3.64 -0.52 -3.34 116.57 120.08 3e0x h LYS 209 Ca 0.26 -0.20 -0.30 0.00 -1.27 0.00 0.00 60.65 59.14 3e0x h LYS 209 Cb -0.04 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 31.66 3e0x h LYS 209 CO -0.05 0.77 -1.60 0.93 -2.27 0.00 0.00 179.45 177.23 3e0x h GLU 210 N 0.65 0.15 -6.29 1.90 4.39 -0.95 -3.45 114.58 110.98 3e0x h GLU 210 Ca 0.15 -0.26 -0.55 0.00 0.34 0.00 0.00 59.36 59.04 3e0x h GLU 210 Cb 0.35 0.10 -0.03 0.00 -0.10 0.00 0.00 28.75 29.07 3e0x h GLU 210 CO 0.00 0.93 0.39 0.08 -1.16 0.00 0.00 179.01 179.25 3e0x s VAL 211 N -2.61 4.87 0.12 3.13 1.01 -0.60 -3.61 120.40 122.71 3e0x s VAL 211 Ca -0.09 1.95 -0.18 0.00 0.00 0.00 0.00 61.98 63.66 3e0x s VAL 211 Cb 0.07 -4.27 -0.04 0.00 0.00 0.00 0.00 36.38 32.15 3e0x s VAL 211 CO 0.83 0.12 1.72 -0.08 0.00 0.00 0.00 175.10 177.69 3e0x h GLU 212 N 6.91 0.41 -3.99 2.72 4.57 -1.84 -3.34 114.58 120.02 3e0x h GLU 212 Ca -0.38 -0.05 -0.74 0.00 -1.18 0.00 0.00 59.36 57.02 3e0x h GLU 212 Cb 1.19 -0.08 -0.29 0.00 -0.16 0.00 0.00 28.75 29.41 3e0x h GLU 212 CO 0.78 0.36 -0.23 -0.80 -1.18 0.00 0.00 179.01 177.94 3e0x s ASN 213 N -5.59 5.94 0.06 1.04 0.01 -1.26 -5.05 114.94 110.09 3e0x s ASN 213 Ca -0.13 -2.32 -0.08 0.00 -0.71 0.00 0.00 52.86 49.63 3e0x s ASN 213 Cb 0.09 -2.05 -0.01 0.00 0.41 0.00 0.00 41.25 39.69 3e0x s ASN 213 CO 0.72 -0.61 0.15 -0.94 -1.51 0.00 0.00 177.10 174.91 3e0x s SER 214 N 2.21 0.13 0.07 -1.22 1.04 -1.26 -1.43 113.70 113.25 3e0x s SER 214 Ca 0.11 -0.55 0.02 0.00 0.48 0.00 0.00 55.95 56.01 3e0x s SER 214 Cb -0.21 0.28 -0.03 0.00 0.10 0.00 0.00 66.02 66.16 3e0x s SER 214 CO -0.03 -0.60 -0.07 -1.61 0.98 0.00 0.00 173.24 171.91 3e0x s GLU 215 N -3.09 0.69 -0.02 4.02 0.41 -0.24 -4.96 118.70 115.50 3e0x s GLU 215 Ca -0.01 -1.09 -0.00 0.00 -0.41 0.00 0.00 54.97 53.45 3e0x s GLU 215 Cb 0.02 -0.19 0.03 0.00 -1.78 0.00 0.00 34.13 32.20 3e0x s GLU 215 CO -0.07 -0.00 0.04 -1.17 -0.49 0.00 0.00 175.26 173.57 3e0x s LEU 216 N -2.45 1.08 -0.14 1.80 2.96 -1.26 -1.16 118.68 119.52 3e0x s LEU 216 Ca 0.03 0.07 0.02 0.00 -0.22 0.00 0.00 54.13 54.03 3e0x s LEU 216 Cb -0.01 -0.01 0.01 0.00 0.50 0.00 0.00 46.19 46.69 3e0x s LEU 216 CO -0.03 -0.12 -0.18 -0.75 -1.32 0.00 0.00 176.35 173.94 3e0x s LYS 217 N 1.02 2.66 -0.29 1.98 2.47 -0.05 -4.97 119.74 122.56 3e0x s LYS 217 Ca -0.08 -0.72 -0.05 0.00 -1.56 0.00 0.00 55.97 53.56 3e0x s LYS 217 Cb -0.12 -2.24 0.02 0.00 -1.46 0.00 0.00 37.83 34.03 3e0x s LYS 217 CO -0.03 -0.09 0.04 0.42 0.16 0.00 0.00 175.35 175.84 3e0x s ILE 218 N 1.04 3.53 0.35 5.43 1.01 -1.26 -1.80 121.20 129.50 3e0x s ILE 218 Ca -0.03 -0.94 -0.25 0.00 0.00 0.00 0.00 60.65 59.43 3e0x s ILE 218 Cb -0.15 -2.87 -0.10 0.00 0.01 0.00 0.00 42.46 39.35 3e0x s ILE 218 CO -0.05 0.04 0.94 -0.36 0.00 0.00 0.00 174.94 175.52 3e0x s PHE 219 N 1.41 3.60 0.14 3.97 0.08 -0.07 -4.88 117.98 122.23 3e0x s PHE 219 Ca 0.00 1.73 -0.17 0.00 0.12 0.00 0.00 56.93 58.61 3e0x s PHE 219 Cb -0.18 -2.90 -0.02 0.00 -0.57 0.00 0.00 43.02 39.36 3e0x s PHE 219 CO 0.00 0.14 1.79 1.49 -0.10 0.00 0.00 175.22 178.54 3e0x h GLU 220 N 2.88 0.44 -4.87 0.44 4.81 -1.96 0.22 114.58 116.53 3e0x h GLU 220 Ca -0.47 -0.03 -0.39 0.00 -0.13 0.00 0.00 59.36 58.34 3e0x h GLU 220 Cb 1.19 -0.10 -0.14 0.00 0.63 0.00 0.00 28.75 30.33 3e0x h GLU 220 CO 0.64 0.31 -0.57 0.95 -0.73 0.00 0.00 179.01 179.60 3e0x s THR 221 N -6.10 0.36 0.00 0.32 -4.23 -1.26 -3.55 115.64 101.18 3e0x s THR 221 Ca -0.13 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.38 3e0x s THR 221 Cb 0.10 -2.54 0.00 0.00 1.34 0.00 0.00 72.50 71.40 3e0x s THR 221 CO 0.71 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 175.40 3e0x n GLY 222 N -0.54 1.56 7.00 3.99 0.00 -1.26 -4.80 105.19 111.14 3e0x n GLY 222 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 3e0x n GLY 222 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3e0x n LYS 223 N 0.00 0.00 0.05 1.61 5.02 -1.26 -2.29 118.16 121.28 3e0x n LYS 223 Ca 0.00 0.00 0.13 0.00 -2.02 0.00 0.00 58.31 56.42 3e0x n LYS 223 Cb 0.00 0.00 0.50 0.00 -0.02 0.00 0.00 35.03 35.51 3e0x n LYS 223 CO 0.00 0.00 0.00 1.58 -0.52 0.00 0.00 177.40 178.46 3e0x n HIS 224 N 2.09 0.39 -0.90 2.13 -0.00 -0.50 -2.29 115.22 116.14 3e0x n HIS 224 Ca 0.00 0.12 -0.02 0.00 0.46 0.00 0.00 57.72 58.28 3e0x n HIS 224 Cb 0.00 -0.70 0.32 0.00 -0.12 0.00 0.00 29.99 29.49 3e0x n HIS 224 CO 0.00 0.00 0.00 1.19 0.46 0.00 0.00 176.34 177.99 3e0x n PHE 225 N -1.83 2.29 -0.31 1.57 3.01 -1.15 -4.54 117.46 116.50 3e0x n PHE 225 Ca 0.06 -1.03 0.17 0.00 1.01 0.00 0.00 57.45 57.66 3e0x n PHE 225 Cb 0.35 -0.63 0.36 0.00 -0.01 0.00 0.00 39.48 39.55 3e0x n PHE 225 CO 0.00 0.00 0.00 1.25 1.01 0.00 0.00 176.76 179.02 3e0x h LEU 226 N 2.94 0.26 -0.37 4.37 5.85 -1.02 0.15 115.31 127.48 3e0x h LEU 226 Ca 0.19 0.19 0.00 0.00 0.84 0.00 0.00 57.88 59.09 3e0x h LEU 226 Cb 2.19 0.19 0.00 0.00 0.37 0.00 0.00 40.66 43.41 3e0x h LEU 226 CO 0.65 -0.11 0.00 0.00 -0.34 0.00 0.00 178.44 178.64 3e0x n LEU 227 N -5.12 0.34 -0.12 2.25 -0.00 -1.26 -0.78 117.00 112.30 3e0x n LEU 227 Ca 0.25 0.59 -0.26 0.00 -0.00 0.00 0.00 56.01 56.59 3e0x n LEU 227 Cb 0.78 -0.54 -0.09 0.00 -0.00 0.00 0.00 43.42 43.57 3e0x n LEU 227 CO 0.09 -0.42 -1.32 0.52 -0.00 0.00 0.00 177.39 176.26 3e0x n VAL 228 N -1.87 1.31 0.18 1.47 0.31 0.34 -3.97 118.33 116.09 3e0x n VAL 228 Ca 0.03 -0.33 0.09 0.00 -0.01 0.00 0.00 64.34 64.11 3e0x n VAL 228 Cb 0.19 -1.82 0.10 0.00 -0.91 0.00 0.00 33.84 31.40 3e0x n VAL 228 CO 0.00 0.00 0.00 -0.37 -1.32 0.00 0.00 176.83 175.14 3e0x h VAL 229 N -0.85 0.27 -1.09 2.52 -1.51 -1.06 -3.29 116.25 111.23 3e0x h VAL 229 Ca -0.61 -1.39 -0.43 0.00 -1.23 0.00 0.00 66.70 63.04 3e0x h VAL 229 Cb 1.53 2.07 -0.41 0.00 -2.13 0.00 0.00 31.29 32.36 3e0x h VAL 229 CO -0.37 0.15 -1.02 -3.20 -1.23 0.00 0.00 177.57 171.91 3e0x n ASN 230 N -3.09 2.71 -0.31 4.19 2.85 0.04 -4.89 115.26 116.76 3e0x n ASN 230 Ca 0.02 -3.02 0.04 0.00 -0.11 0.00 0.00 54.58 51.52 3e0x n ASN 230 Cb 0.60 -0.49 0.24 0.00 1.24 0.00 0.00 39.78 41.37 3e0x n ASN 230 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 3e0x h ALA 231 N 2.77 1.51 -0.53 5.20 0.00 -1.64 -0.49 119.26 126.09 3e0x h ALA 231 Ca 0.05 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 3e0x h ALA 231 Cb 1.13 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.63 3e0x h ALA 231 CO 0.59 0.34 0.24 -0.22 0.00 0.00 0.00 179.25 180.20 3e0x h LYS 232 N 1.03 0.77 -0.31 0.00 3.64 -1.90 0.24 116.57 120.05 3e0x h LYS 232 Ca 0.41 -0.12 -0.17 0.00 -1.27 0.00 0.00 60.65 59.49 3e0x h LYS 232 Cb 0.24 -0.13 -0.00 0.00 -0.41 0.00 0.00 32.23 31.92 3e0x h LYS 232 CO -0.16 0.65 -0.47 0.78 -2.27 0.00 0.00 179.45 177.98 3e0x h GLY 233 N 0.71 0.90 0.97 5.01 0.00 -1.81 -1.96 103.07 106.89 3e0x h GLY 233 Ca 0.18 -0.99 -0.02 0.00 0.00 0.00 0.00 47.33 46.50 3e0x h GLY 233 CO -0.02 0.89 0.22 -2.08 0.00 0.00 0.00 176.54 175.55 3e0x h VAL 234 N 0.66 1.20 -0.84 4.60 2.07 -0.92 -2.33 116.25 120.68 3e0x h VAL 234 Ca 0.03 -0.59 0.01 0.00 0.82 0.00 0.00 66.70 66.97 3e0x h VAL 234 Cb 1.06 0.69 -0.04 0.00 -1.52 0.00 0.00 31.29 31.47 3e0x h VAL 234 CO 0.11 0.23 0.55 0.00 0.02 0.00 0.00 177.57 178.47 3e0x h ALA 235 N 1.06 1.38 -0.67 1.67 0.00 -0.78 -0.86 119.26 121.05 3e0x h ALA 235 Ca 0.16 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 3e0x h ALA 235 Cb 0.15 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 17.57 3e0x h ALA 235 CO -0.02 0.57 0.39 0.93 0.00 0.00 0.00 179.25 181.12 3e0x h GLU 236 N 1.15 0.91 -0.00 0.00 4.39 -1.01 0.02 114.58 120.04 3e0x h GLU 236 Ca 0.31 -0.08 0.00 0.00 0.34 0.00 0.00 59.36 59.92 3e0x h GLU 236 Cb -0.12 -0.19 0.00 0.00 -0.10 0.00 0.00 28.75 28.34 3e0x h GLU 236 CO -0.06 0.65 -0.04 0.39 -1.16 0.00 0.00 179.01 178.79 3e0x n GLU 237 N -4.39 0.28 -0.06 2.33 -0.58 -0.44 -1.38 120.64 116.40 3e0x n GLU 237 Ca 0.07 -0.02 -0.21 0.00 -0.42 0.00 0.00 57.16 56.57 3e0x n GLU 237 Cb 0.08 -1.50 -0.12 0.00 -0.57 0.00 0.00 31.44 29.32 3e0x n GLU 237 CO 0.00 0.00 0.00 0.82 -0.48 0.00 0.00 177.13 177.47 3e0x h ILE 238 N 0.06 0.91 -0.92 -3.67 2.04 -0.42 -3.39 117.51 112.12 3e0x h ILE 238 Ca 0.00 -2.26 0.10 0.00 1.00 0.00 0.00 64.86 63.70 3e0x h ILE 238 Cb 0.38 2.42 -0.07 0.00 -0.74 0.00 0.00 36.82 38.81 3e0x h ILE 238 CO 0.00 0.52 0.59 0.11 0.00 0.00 0.00 178.15 179.37 3e0x h LYS 239 N -0.65 0.90 0.00 2.37 1.57 -0.82 -1.43 116.57 118.51 3e0x h LYS 239 Ca -0.34 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.38 3e0x h LYS 239 Cb 1.53 -0.20 0.00 0.00 0.08 0.00 0.00 32.23 33.63 3e0x h LYS 239 CO -0.09 0.59 0.00 0.27 -0.57 0.00 0.00 179.45 179.65 3e0x n ASN 240 N -4.54 0.00 -0.06 0.86 0.23 -0.48 -3.75 115.26 107.52 3e0x n ASN 240 Ca 0.16 -0.06 -0.08 0.00 -0.53 0.00 0.00 54.58 54.07 3e0x n ASN 240 Cb 0.31 -0.27 -0.06 0.00 -2.08 0.00 0.00 39.78 37.68 3e0x n ASN 240 CO 0.00 0.00 0.00 0.33 -0.93 0.00 0.00 177.26 176.66 3e0x n PHE 241 N -1.27 0.00 0.00 -2.53 -0.00 -0.63 -5.10 117.46 107.93 3e0x n PHE 241 Ca 0.11 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.56 3e0x n PHE 241 Cb 0.17 -0.45 0.00 0.00 -0.00 0.00 0.00 39.48 39.20 3e0x n PHE 241 CO 0.00 0.00 0.00 -0.89 -0.00 0.00 0.00 176.76 175.87