#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gas h ASN 3 N 0.00 0.39 0.64 1.96 -1.07 -2.00 -0.79 115.58 114.70 3gas h ASN 3 Ca 0.00 -0.06 -0.07 0.00 0.07 0.00 0.00 56.30 56.24 3gas h ASN 3 Cb 0.00 -0.10 -0.01 0.00 -2.07 0.00 0.00 38.32 36.14 3gas h ASN 3 CO 0.00 0.44 -0.34 0.03 0.07 0.00 0.00 177.43 177.63 3gas h ARG 4 N 0.41 0.00 -0.03 4.14 2.47 -2.05 -1.73 114.38 117.59 3gas h ARG 4 Ca 0.09 0.00 -0.06 0.00 -1.26 0.00 0.00 59.98 58.75 3gas h ARG 4 Cb 0.25 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.58 3gas h ARG 4 CO 0.01 0.34 -0.22 0.82 0.56 0.00 0.00 179.97 181.47 3gas h ILE 5 N 0.00 1.49 -0.59 2.04 2.04 -1.61 -0.38 117.51 120.49 3gas h ILE 5 Ca -0.00 -1.75 0.01 0.00 1.00 0.00 0.00 64.86 64.12 3gas h ILE 5 Cb 0.75 2.53 -0.03 0.00 -0.74 0.00 0.00 36.82 39.32 3gas h ILE 5 CO 0.04 0.48 0.38 0.40 0.00 0.00 0.00 178.15 179.46 3gas h ILE 6 N -0.39 1.12 -0.09 -0.67 2.04 -1.26 -2.57 117.51 115.70 3gas h ILE 6 Ca -0.02 -0.26 -0.00 0.00 1.00 0.00 0.00 64.86 65.58 3gas h ILE 6 Cb 0.91 0.28 -0.00 0.00 -0.74 0.00 0.00 36.82 37.27 3gas h ILE 6 CO 0.04 0.14 0.05 -0.08 0.00 0.00 0.00 178.15 178.31 3gas h GLU 7 N 0.77 0.12 -0.05 2.37 4.81 -1.35 -0.67 114.58 120.58 3gas h GLU 7 Ca 0.23 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.45 3gas h GLU 7 Cb -0.04 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.31 3gas h GLU 7 CO -0.07 0.11 0.00 1.58 -0.73 0.00 0.00 179.01 179.90 3gas n HIS 8 N -5.01 0.00 0.00 0.92 -0.00 -0.15 -1.76 115.22 109.22 3gas n HIS 8 Ca -0.05 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.13 3gas n HIS 8 Cb 0.04 -0.01 0.00 0.00 -0.12 0.00 0.00 29.99 29.91 3gas n HIS 8 CO 0.00 0.00 0.00 0.09 0.46 0.00 0.00 176.34 176.89 3gas n ASN 10 N 0.43 0.00 -0.02 0.26 3.02 -0.26 -1.32 115.26 117.37 3gas n ASN 10 Ca 0.00 0.00 -0.07 0.00 -0.03 0.00 0.00 54.58 54.48 3gas n ASN 10 Cb 0.01 0.00 -0.13 0.00 -0.61 0.00 0.00 39.78 39.05 3gas n ASN 10 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3gas n ALA 11 N 0.00 1.55 -0.28 5.41 0.00 -0.72 -4.52 120.51 121.96 3gas n ALA 11 Ca 0.00 -0.76 0.00 0.00 0.00 0.00 0.00 53.44 52.68 3gas n ALA 11 Cb 0.00 -0.84 0.00 0.00 0.00 0.00 0.00 19.45 18.61 3gas n ALA 11 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 3gas n HIS 12 N -3.01 0.00 -2.06 0.00 8.25 -0.44 -4.85 115.22 113.11 3gas n HIS 12 Ca -0.17 0.00 0.04 0.00 -0.26 0.00 0.00 57.72 57.34 3gas n HIS 12 Cb 1.03 0.00 0.07 0.00 1.12 0.00 0.00 29.99 32.21 3gas n HIS 12 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 3gas n HIS 13 N -0.14 0.00 -0.27 4.41 8.25 -1.26 -4.84 115.22 121.38 3gas n HIS 13 Ca 0.00 -0.70 -0.06 0.00 -0.26 0.00 0.00 57.72 56.69 3gas n HIS 13 Cb 0.07 -0.16 0.05 0.00 1.12 0.00 0.00 29.99 31.08 3gas n HIS 13 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 3gas h VAL 14 N 4.87 1.25 -0.36 1.59 2.07 -1.89 -2.74 116.25 121.04 3gas h VAL 14 Ca -0.11 -0.79 -0.03 0.00 0.82 0.00 0.00 66.70 66.59 3gas h VAL 14 Cb 1.51 0.40 -0.02 0.00 -1.52 0.00 0.00 31.29 31.66 3gas h VAL 14 CO 0.05 0.32 0.11 -0.08 0.02 0.00 0.00 177.57 177.99 3gas h GLU 15 N 1.05 0.55 -1.90 1.57 4.57 -1.96 -1.82 114.58 116.64 3gas h GLU 15 Ca 0.24 -0.12 0.00 0.00 -1.18 0.00 0.00 59.36 58.31 3gas h GLU 15 Cb 0.21 -0.08 0.00 0.00 -0.16 0.00 0.00 28.75 28.72 3gas h GLU 15 CO -0.02 0.57 0.00 -0.25 -1.18 0.00 0.00 179.01 178.13 3gas n ASP 16 N -4.64 0.42 0.00 1.04 8.00 -1.04 -1.10 116.55 119.23 3gas n ASP 16 Ca -0.01 -0.40 0.00 0.00 0.71 0.00 0.00 54.79 55.09 3gas n ASP 16 Cb 0.17 -0.08 0.00 0.00 -0.02 0.00 0.00 41.12 41.19 3gas n ASP 16 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 3gas n LYS 18 N 1.10 0.00 -0.21 -1.24 5.02 -0.69 -0.05 118.16 122.09 3gas n LYS 18 Ca 0.00 0.00 -0.09 0.00 -2.02 0.00 0.00 58.31 56.20 3gas n LYS 18 Cb 0.06 0.00 0.02 0.00 -0.02 0.00 0.00 35.03 35.10 3gas n LYS 18 CO 0.00 0.00 0.00 0.78 -0.52 0.00 0.00 177.40 177.66 3gas h GLY 19 N 0.00 1.16 1.02 0.72 0.00 -1.38 -2.10 103.07 102.48 3gas h GLY 19 Ca 0.00 -0.86 -0.10 0.00 0.00 0.00 0.00 47.33 46.38 3gas h GLY 19 CO 0.00 0.79 -0.10 1.41 0.00 0.00 0.00 176.54 178.64 3gas h LEU 20 N 0.98 0.86 -0.67 3.11 3.38 -0.74 -0.28 115.31 121.94 3gas h LEU 20 Ca 0.17 -0.36 0.03 0.00 0.09 0.00 0.00 57.88 57.81 3gas h LEU 20 Cb 0.56 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 41.04 3gas h LEU 20 CO 0.03 1.01 0.42 -0.07 0.09 0.00 0.00 178.44 179.92 3gas h LEU 21 N 0.69 0.69 0.24 1.67 3.38 -1.78 -0.77 115.31 119.43 3gas h LEU 21 Ca 0.11 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.07 3gas h LEU 21 Cb 0.63 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.24 3gas h LEU 21 CO 0.04 0.48 -0.12 0.11 0.09 0.00 0.00 178.44 179.04 3gas h LYS 22 N 0.82 -0.31 0.39 1.13 1.57 -1.20 -0.44 116.57 118.53 3gas h LYS 22 Ca 0.27 0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 59.05 3gas h LYS 22 Cb 0.01 0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.40 3gas h LYS 22 CO -0.10 0.02 -0.19 -0.22 -0.57 0.00 0.00 179.45 178.39 3gas h LYS 23 N -0.70 -0.50 0.00 3.15 3.64 -0.95 -1.81 116.57 119.40 3gas h LYS 23 Ca -0.03 0.03 -0.20 0.00 -1.27 0.00 0.00 60.65 59.18 3gas h LYS 23 Cb 0.48 0.11 -0.04 0.00 -0.41 0.00 0.00 32.23 32.38 3gas h LYS 23 CO 0.05 -0.31 -1.59 1.19 -2.27 0.00 0.00 179.45 176.53 3gas n PHE 24 N -5.30 0.84 0.68 1.91 3.72 -0.30 -1.58 117.46 117.43 3gas n PHE 24 Ca -0.11 0.29 0.07 0.00 -0.05 0.00 0.00 57.45 57.65 3gas n PHE 24 Cb 0.23 -1.07 -0.05 0.00 -0.94 0.00 0.00 39.48 37.66 3gas n PHE 24 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3gas n GLY 25 N 1.45 -0.23 3.64 1.37 0.00 -0.24 -4.89 105.19 106.29 3gas n GLY 25 Ca -0.13 -0.42 -0.26 0.00 0.00 0.00 0.00 46.02 45.21 3gas n GLY 25 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3gas n GLN 26 N -0.82 -6.40 -3.64 1.61 1.13 -0.68 -4.95 117.38 103.62 3gas n GLN 26 Ca 0.04 0.73 -0.40 0.00 -1.94 0.00 0.00 57.00 55.43 3gas n GLN 26 Cb 0.27 -5.68 -0.11 0.00 0.11 0.00 0.00 30.24 24.82 3gas n GLN 26 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 3gas s VAL 27 N -3.27 4.36 -0.05 5.09 1.01 -0.77 -4.96 120.40 121.80 3gas s VAL 27 Ca 0.58 -0.91 0.18 0.00 0.00 0.00 0.00 61.98 61.82 3gas s VAL 27 Cb -0.27 -3.43 -0.27 0.00 0.00 0.00 0.00 36.38 32.41 3gas s VAL 27 CO 0.71 -0.21 0.34 1.41 0.00 0.00 0.00 175.10 177.36 3gas n HIS 28 N 4.95 0.00 -2.37 5.22 8.25 -1.26 -2.78 115.22 127.23 3gas n HIS 28 Ca -0.12 0.00 -0.19 0.00 -0.26 0.00 0.00 57.72 57.15 3gas n HIS 28 Cb 0.46 -0.48 0.02 0.00 1.12 0.00 0.00 29.99 31.10 3gas n HIS 28 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 3gas n HIS 29 N -2.21 2.51 -2.78 4.41 8.25 -1.26 -5.04 115.22 119.11 3gas n HIS 29 Ca -0.07 -2.55 -0.38 0.00 -0.26 0.00 0.00 57.72 54.46 3gas n HIS 29 Cb 0.57 -0.25 -0.06 0.00 1.12 0.00 0.00 29.99 31.37 3gas n HIS 29 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3gas s ALA 30 N -3.56 3.27 0.45 -1.41 0.00 -1.26 -5.04 121.76 114.21 3gas s ALA 30 Ca 0.43 0.56 0.03 0.00 0.00 0.00 0.00 51.96 52.98 3gas s ALA 30 Cb 0.40 -3.19 -0.02 0.00 0.00 0.00 0.00 23.12 20.31 3gas s ALA 30 CO -0.04 0.19 0.06 -1.83 0.00 0.00 0.00 175.76 174.15 3gas s GLU 31 N -1.66 2.04 -1.49 0.00 -1.05 -1.26 -4.79 118.70 110.50 3gas s GLU 31 Ca 0.46 -2.27 -0.12 0.00 -0.15 0.00 0.00 54.97 52.89 3gas s GLU 31 Cb -0.22 -1.08 0.07 0.00 -0.44 0.00 0.00 34.13 32.46 3gas s GLU 31 CO 0.27 -0.39 0.89 -1.71 0.95 0.00 0.00 175.26 175.27 3gas n ASN 32 N -1.25 -4.99 -4.70 0.83 5.15 -1.26 0.23 115.26 109.27 3gas n ASN 32 Ca -0.12 -0.64 -0.42 0.00 -0.60 0.00 0.00 54.58 52.80 3gas n ASN 32 Cb 0.66 -3.99 -0.03 0.00 -0.53 0.00 0.00 39.78 35.89 3gas n ASN 32 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 3gas s VAL 33 N -3.23 4.14 -0.06 3.44 1.01 -1.26 -4.06 120.40 120.38 3gas s VAL 33 Ca 0.58 1.51 -0.21 0.00 0.00 0.00 0.00 61.98 63.87 3gas s VAL 33 Cb -0.29 -3.97 0.04 0.00 0.00 0.00 0.00 36.38 32.17 3gas s VAL 33 CO 0.72 0.06 0.46 0.00 0.00 0.00 0.00 175.10 176.34 3gas s ALA 34 N 1.62 -1.18 0.08 5.51 0.00 -0.68 -5.00 121.76 122.10 3gas s ALA 34 Ca 0.58 0.83 -0.31 0.00 0.00 0.00 0.00 51.96 53.06 3gas s ALA 34 Cb -0.27 -0.10 -0.06 0.00 0.00 0.00 0.00 23.12 22.68 3gas s ALA 34 CO 0.26 -0.29 1.29 0.12 0.00 0.00 0.00 175.76 177.14 3gas s PHE 35 N -1.01 3.31 -0.27 0.00 5.36 -1.26 -0.72 117.98 123.39 3gas s PHE 35 Ca -0.10 1.12 -0.14 0.00 -0.96 0.00 0.00 56.93 56.85 3gas s PHE 35 Cb -0.03 -3.54 -0.12 0.00 -0.34 0.00 0.00 43.02 38.99 3gas s PHE 35 CO 0.06 -1.82 -0.35 1.17 -1.46 0.00 0.00 175.22 172.82 3gas n LYS 36 N 4.08 0.57 -3.70 10.12 4.81 -0.30 -4.84 118.16 128.90 3gas n LYS 36 Ca 0.10 0.25 -0.05 0.00 -0.87 0.00 0.00 58.31 57.75 3gas n LYS 36 Cb 0.44 -1.46 -0.02 0.00 0.02 0.00 0.00 35.03 34.02 3gas n LYS 36 CO 0.00 0.00 0.00 -1.54 1.17 0.00 0.00 177.40 177.03 3gas s SER 37 N -7.41 -0.23 -0.02 3.14 1.04 -1.02 -4.98 113.70 104.23 3gas s SER 37 Ca -0.38 -0.32 -0.02 0.00 0.48 0.00 0.00 55.95 55.72 3gas s SER 37 Cb 0.14 0.48 0.00 0.00 0.10 0.00 0.00 66.02 66.75 3gas s SER 37 CO 0.47 -0.86 0.06 0.54 0.98 0.00 0.00 173.24 174.43 3gas s VAL 38 N -3.29 0.01 0.26 5.02 0.11 -1.26 -0.69 120.40 120.55 3gas s VAL 38 Ca 0.10 -0.09 0.05 0.00 -2.93 0.00 0.00 61.98 59.11 3gas s VAL 38 Cb -0.01 -0.12 -0.02 0.00 -1.53 0.00 0.00 36.38 34.70 3gas s VAL 38 CO -0.00 -0.05 0.17 -0.90 -3.33 0.00 0.00 175.10 170.98 3gas n ASP 39 N 2.88 0.09 0.32 3.54 5.75 -0.02 -5.01 116.55 124.10 3gas n ASP 39 Ca -0.13 -2.58 0.22 0.00 -0.01 0.00 0.00 54.79 52.28 3gas n ASP 39 Cb 0.59 1.04 1.13 0.00 -1.03 0.00 0.00 41.12 42.85 3gas n ASP 39 CO 0.00 0.00 0.00 0.77 -0.11 0.00 0.00 177.20 177.86 3gas h SER 40 N 1.37 0.00 -0.00 -1.12 4.64 -1.99 -3.08 113.55 113.36 3gas h SER 40 Ca -0.19 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.13 3gas h SER 40 Cb 0.87 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.96 3gas h SER 40 CO 0.29 0.00 -0.30 0.00 -0.87 0.00 0.00 176.83 175.95 3gas n GLN 41 N -3.02 3.13 -3.41 4.77 6.02 -1.26 -0.26 117.38 123.35 3gas n GLN 41 Ca -0.03 -0.29 0.00 0.00 -0.01 0.00 0.00 57.00 56.68 3gas n GLN 41 Cb 0.09 -0.98 0.00 0.00 1.02 0.00 0.00 30.24 30.37 3gas n GLN 41 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3gas n GLY 42 N 1.03 -1.35 3.44 1.08 0.00 -1.17 -0.17 105.19 108.06 3gas n GLY 42 Ca 0.03 -0.99 -0.21 0.00 0.00 0.00 0.00 46.02 44.84 3gas n GLY 42 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3gas s ILE 43 N -2.92 1.55 -0.06 -0.61 -4.36 -0.34 -0.84 121.20 113.62 3gas s ILE 43 Ca 0.00 -2.09 0.02 0.00 -0.26 0.00 0.00 60.65 58.32 3gas s ILE 43 Cb 0.00 -2.54 0.02 0.00 1.25 0.00 0.00 42.46 41.19 3gas s ILE 43 CO 0.00 -0.23 -0.08 -0.69 0.24 0.00 0.00 174.94 174.18 3gas s VAL 44 N -3.07 0.83 -0.14 8.37 1.01 0.13 -1.18 120.40 126.35 3gas s VAL 44 Ca 0.31 -0.29 -0.02 0.00 0.00 0.00 0.00 61.98 61.98 3gas s VAL 44 Cb 0.05 -0.80 -0.02 0.00 0.00 0.00 0.00 36.38 35.61 3gas s VAL 44 CO 0.13 0.29 -0.09 -0.63 0.00 0.00 0.00 175.10 174.80 3gas s ILE 45 N 0.84 3.45 0.10 2.22 1.01 -0.68 -1.15 121.20 126.99 3gas s ILE 45 Ca -0.12 -0.52 -0.05 0.00 0.00 0.00 0.00 60.65 59.96 3gas s ILE 45 Cb -0.15 -2.48 -0.05 0.00 0.01 0.00 0.00 42.46 39.79 3gas s ILE 45 CO 0.01 0.51 0.34 -0.83 0.00 0.00 0.00 174.94 174.97 3gas s GLY 46 N 0.30 2.24 0.12 6.18 0.00 0.11 -1.87 107.32 114.40 3gas s GLY 46 Ca -0.07 -0.59 -0.16 0.00 0.00 0.00 0.00 44.72 43.90 3gas s GLY 46 CO 0.04 -0.49 0.40 -2.52 0.00 0.00 0.00 173.10 170.53 3gas s TYR 47 N -1.56 -0.20 0.00 1.90 -0.85 -0.37 -1.68 117.35 114.59 3gas s TYR 47 Ca 0.37 -0.10 0.00 0.00 -0.52 0.00 0.00 57.07 56.82 3gas s TYR 47 Cb -0.13 0.25 0.00 0.00 0.38 0.00 0.00 41.96 42.47 3gas s TYR 47 CO 0.23 -0.69 0.00 0.09 -1.52 0.00 0.00 175.55 173.66 3gas n ASN 48 N -0.19 -0.71 -0.07 -0.18 3.02 0.13 -1.63 115.26 115.63 3gas n ASN 48 Ca -0.16 0.00 -0.14 0.00 -0.03 0.00 0.00 54.58 54.25 3gas n ASN 48 Cb 0.64 0.00 -0.06 0.00 -0.61 0.00 0.00 39.78 39.75 3gas n ASN 48 CO 0.00 0.00 0.00 0.78 -2.62 0.00 0.00 177.26 175.42 3gas h ASN 49 N 5.66 0.62 -0.03 6.41 -0.26 -1.93 -3.42 115.58 122.62 3gas h ASN 49 Ca 0.00 -0.51 -0.16 0.00 -0.56 0.00 0.00 56.30 55.08 3gas h ASN 49 Cb 0.00 -0.17 -0.21 0.00 -1.06 0.00 0.00 38.32 36.87 3gas h ASN 49 CO 0.00 1.00 -0.51 0.59 -1.06 0.00 0.00 177.43 177.45 3gas n ASN 50 N -4.35 -0.46 -4.81 5.81 3.02 -1.25 -5.13 115.26 108.09 3gas n ASN 50 Ca -0.05 -2.04 -0.22 0.00 -0.03 0.00 0.00 54.58 52.24 3gas n ASN 50 Cb 0.46 0.18 -0.05 0.00 -0.61 0.00 0.00 39.78 39.77 3gas n ASN 50 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 3gas s GLN 51 N -0.27 2.78 0.08 3.52 -0.21 -0.65 -4.99 119.66 119.92 3gas s GLN 51 Ca 0.11 -1.18 -0.08 0.00 0.02 0.00 0.00 55.36 54.23 3gas s GLN 51 Cb 0.19 -2.48 -0.00 0.00 1.00 0.00 0.00 33.01 31.72 3gas s GLN 51 CO -0.06 0.30 0.18 0.95 -2.12 0.00 0.00 175.29 174.53 3gas s THR 52 N -2.21 0.14 -0.07 -0.19 -4.23 -1.26 -1.23 115.64 106.59 3gas s THR 52 Ca 0.35 -1.17 -0.00 0.00 -1.18 0.00 0.00 61.69 59.68 3gas s THR 52 Cb -0.07 -1.29 0.03 0.00 1.34 0.00 0.00 72.50 72.51 3gas s THR 52 CO 0.25 -0.65 -0.03 -0.22 -0.54 0.00 0.00 174.62 173.43 3gas s LEU 53 N -2.75 0.94 -0.08 4.79 2.96 -0.78 -4.99 118.68 118.76 3gas s LEU 53 Ca 0.04 -0.14 -0.13 0.00 -0.22 0.00 0.00 54.13 53.68 3gas s LEU 53 Cb 0.04 -0.52 -0.05 0.00 0.50 0.00 0.00 46.19 46.17 3gas s LEU 53 CO -0.10 -0.13 0.31 -0.60 -1.32 0.00 0.00 176.35 174.51 3gas s ARG 54 N 1.57 3.93 -0.17 1.98 3.52 -1.26 -1.69 118.95 126.83 3gas s ARG 54 Ca -0.01 0.19 0.00 0.00 -0.13 0.00 0.00 55.73 55.79 3gas s ARG 54 Cb -0.13 -3.28 0.03 0.00 -1.56 0.00 0.00 34.95 30.01 3gas s ARG 54 CO -0.04 0.55 -0.10 0.42 -0.81 0.00 0.00 175.30 175.33 3gas s ILE 55 N -0.53 1.40 0.40 4.11 1.01 -0.33 -4.99 121.20 122.28 3gas s ILE 55 Ca 0.20 -0.72 -0.24 0.00 0.00 0.00 0.00 60.65 59.89 3gas s ILE 55 Cb -0.14 -1.46 -0.09 0.00 0.01 0.00 0.00 42.46 40.78 3gas s ILE 55 CO 0.08 0.26 1.04 -1.61 0.00 0.00 0.00 174.94 174.71 3gas s GLU 56 N 1.52 4.16 0.83 2.79 2.02 -1.26 -1.20 118.70 127.56 3gas s GLU 56 Ca 0.02 1.47 -0.12 0.00 0.02 0.00 0.00 54.97 56.36 3gas s GLU 56 Cb -0.15 -2.50 0.09 0.00 0.10 0.00 0.00 34.13 31.67 3gas s GLU 56 CO -0.09 -0.13 1.11 -0.06 0.02 0.00 0.00 175.26 176.11 3gas s PHE 57 N -1.71 2.77 -2.06 1.61 0.08 0.76 -4.91 117.98 114.53 3gas s PHE 57 Ca 0.58 1.04 0.11 0.00 0.12 0.00 0.00 56.93 58.78 3gas s PHE 57 Cb -0.21 -3.21 0.42 0.00 -0.57 0.00 0.00 43.02 39.45 3gas s PHE 57 CO 0.26 -1.92 1.31 0.27 -0.10 0.00 0.00 175.22 175.04 3gas n ASN 58 N -3.50 1.19 -3.79 1.36 0.23 -1.26 -4.86 115.26 104.63 3gas n ASN 58 Ca 0.07 -1.87 -0.05 0.00 -0.53 0.00 0.00 54.58 52.19 3gas n ASN 58 Cb 0.57 -0.13 -0.02 0.00 -2.08 0.00 0.00 39.78 38.13 3gas n ASN 58 CO 0.00 0.00 0.00 -1.38 -0.93 0.00 0.00 177.26 174.95 3gas s HIS 59 N -1.74 -0.15 -0.15 -2.53 -3.43 -1.26 -4.28 115.29 101.74 3gas s HIS 59 Ca 0.20 -0.24 -0.18 0.00 -0.80 0.00 0.00 55.06 54.05 3gas s HIS 59 Cb 0.11 0.68 -0.04 0.00 -1.43 0.00 0.00 32.58 31.90 3gas s HIS 59 CO 0.15 -1.05 0.47 -2.00 -2.00 0.00 0.00 174.74 170.31 3gas s GLU 60 N -3.57 4.27 -0.55 -0.38 2.12 -1.26 -4.78 118.70 114.56 3gas s GLU 60 Ca 0.12 0.39 -0.24 0.00 0.36 0.00 0.00 54.97 55.60 3gas s GLU 60 Cb -0.04 -3.48 0.04 0.00 0.26 0.00 0.00 34.13 30.91 3gas s GLU 60 CO 0.05 0.05 0.92 0.08 -0.54 0.00 0.00 175.26 175.82 3gas s VAL 61 N 0.98 4.42 -0.64 3.70 1.01 0.64 -4.90 120.40 125.60 3gas s VAL 61 Ca 0.24 0.23 0.26 0.00 0.00 0.00 0.00 61.98 62.70 3gas s VAL 61 Cb -0.15 -4.53 0.30 0.00 0.00 0.00 0.00 36.38 32.00 3gas s VAL 61 CO 0.09 -1.10 1.74 0.11 0.00 0.00 0.00 175.10 175.95 3gas h LYS 62 N 9.29 0.00 -4.98 2.72 1.57 -1.95 -3.41 116.57 119.82 3gas h LYS 62 Ca -0.26 0.00 -0.66 0.00 -1.87 0.00 0.00 60.65 57.86 3gas h LYS 62 Cb 1.07 0.00 -0.35 0.00 0.08 0.00 0.00 32.23 33.03 3gas h LYS 62 CO 1.08 0.00 -0.85 0.34 -0.57 0.00 0.00 179.45 179.45 3gas s ASP 63 N -4.87 3.06 0.60 0.86 -1.08 -1.26 -5.00 116.67 108.97 3gas s ASP 63 Ca 0.09 -0.63 0.29 0.00 -0.52 0.00 0.00 52.55 51.78 3gas s ASP 63 Cb 0.11 -1.42 1.49 0.00 -1.46 0.00 0.00 42.92 41.63 3gas s ASP 63 CO 0.60 -0.01 1.90 -0.65 0.52 0.00 0.00 175.17 177.52 3gas h PRO 64 N 7.96 0.00 0.00 4.34 0.11 -2.01 0.19 132.00 142.59 3gas h PRO 64 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 3gas h PRO 64 Cb 1.14 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.25 3gas h PRO 64 CO 0.62 0.00 0.00 0.36 -0.21 0.00 0.00 178.00 178.77 3gas n LYS 65 N -3.64 0.00 -0.00 1.05 2.85 -1.26 -2.06 118.16 115.10 3gas n LYS 65 Ca 0.07 0.33 0.08 0.00 -1.05 0.00 0.00 58.31 57.74 3gas n LYS 65 Cb 0.63 -1.50 -0.10 0.00 -0.65 0.00 0.00 35.03 33.41 3gas n LYS 65 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 3gas n ASP 66 N -1.50 0.83 -0.21 -5.58 8.00 0.67 -4.58 116.55 114.19 3gas n ASP 66 Ca 0.02 -0.84 0.01 0.00 0.71 0.00 0.00 54.79 54.69 3gas n ASP 66 Cb 0.12 1.06 0.12 0.00 -0.02 0.00 0.00 41.12 42.40 3gas n ASP 66 CO 0.00 0.00 0.00 1.88 -0.39 0.00 0.00 177.20 178.69 3gas h TYR 67 N 0.00 0.34 -0.43 1.24 0.05 -1.50 -1.44 116.97 115.23 3gas h TYR 67 Ca 0.00 0.03 0.06 0.00 0.05 0.00 0.00 58.73 58.87 3gas h TYR 67 Cb 0.45 -0.06 -0.05 0.00 1.01 0.00 0.00 36.73 38.08 3gas h TYR 67 CO 0.00 0.05 0.14 -0.22 -1.05 0.00 0.00 178.16 177.08 3gas h LYS 68 N 0.36 0.30 -0.06 4.88 3.64 -1.81 0.26 116.57 124.14 3gas h LYS 68 Ca 0.33 -0.02 -0.12 0.00 -1.27 0.00 0.00 60.65 59.57 3gas h LYS 68 Cb 0.45 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.19 3gas h LYS 68 CO -0.35 0.20 -0.50 -0.91 -2.27 0.00 0.00 179.45 175.61 3gas h ASN 69 N 0.31 0.17 -0.40 4.20 4.21 -1.69 -1.31 115.58 121.06 3gas h ASN 69 Ca 0.20 -0.08 -0.13 0.00 1.21 0.00 0.00 56.30 57.50 3gas h ASN 69 Cb 0.20 -0.05 -0.01 0.00 -1.12 0.00 0.00 38.32 37.34 3gas h ASN 69 CO -0.21 0.65 -0.24 0.00 -1.29 0.00 0.00 177.43 176.33 3gas h ALA 70 N 1.36 0.57 -0.43 -0.83 0.00 -0.86 -0.25 119.26 118.82 3gas h ALA 70 Ca 0.00 -0.39 -0.03 0.00 0.00 0.00 0.00 54.91 54.49 3gas h ALA 70 Cb 0.93 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.57 3gas h ALA 70 CO 0.07 0.57 0.17 1.15 0.00 0.00 0.00 179.25 181.21 3gas h THR 71 N 0.69 1.20 -0.74 0.00 2.02 -0.76 0.24 112.91 115.56 3gas h THR 71 Ca 0.08 -0.63 -0.02 0.00 0.77 0.00 0.00 66.41 66.61 3gas h THR 71 Cb 0.81 0.81 -0.03 0.00 -1.74 0.00 0.00 68.15 68.00 3gas h THR 71 CO 0.07 0.23 0.38 0.40 0.37 0.00 0.00 175.52 176.97 3gas h ILE 72 N 0.56 1.23 -0.15 3.11 2.04 -1.13 -0.98 117.51 122.19 3gas h ILE 72 Ca 0.14 -0.61 0.02 0.00 1.00 0.00 0.00 64.86 65.41 3gas h ILE 72 Cb 0.20 0.28 -0.02 0.00 -0.74 0.00 0.00 36.82 36.54 3gas h ILE 72 CO -0.01 0.26 0.02 -0.08 0.00 0.00 0.00 178.15 178.34 3gas h GLU 73 N 1.03 0.07 -0.81 2.37 4.81 -0.54 0.35 114.58 121.86 3gas h GLU 73 Ca 0.26 -0.00 0.04 0.00 -0.13 0.00 0.00 59.36 59.52 3gas h GLU 73 Cb 0.07 -0.02 -0.05 0.00 0.63 0.00 0.00 28.75 29.39 3gas h GLU 73 CO -0.04 0.05 0.52 1.25 -0.73 0.00 0.00 179.01 180.06 3gas h LEU 74 N 0.08 0.86 0.18 1.64 5.85 -0.50 -1.48 115.31 121.93 3gas h LEU 74 Ca 0.07 -0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.78 3gas h LEU 74 Cb 0.07 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 40.91 3gas h LEU 74 CO -0.10 0.59 -0.09 0.00 -0.34 0.00 0.00 178.44 178.50 3gas h GLN 76 N -0.45 0.00 0.00 0.00 4.20 -0.75 -2.48 115.11 115.63 3gas h GLN 76 Ca -0.02 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.67 3gas h GLN 76 Cb 0.34 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.12 3gas h GLN 76 CO 0.04 0.00 -0.06 0.66 -0.67 0.00 0.00 178.83 178.80 3gas h SER 77 N 0.00 0.00 0.20 1.46 4.64 -1.06 -1.17 113.55 117.61 3gas h SER 77 Ca 0.00 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 3gas h SER 77 Cb 0.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.28 3gas h SER 77 CO 0.00 0.06 -0.09 0.58 -0.87 0.00 0.00 176.83 176.51 3gas h VAL 78 N 0.00 0.86 -0.02 0.95 2.07 -1.58 -2.28 116.25 116.25 3gas h VAL 78 Ca -0.00 -0.27 -0.24 0.00 0.82 0.00 0.00 66.70 67.01 3gas h VAL 78 Cb 0.25 1.02 0.01 0.00 -1.52 0.00 0.00 31.29 31.06 3gas h VAL 78 CO 0.01 0.06 -0.95 -0.33 0.02 0.00 0.00 177.57 176.38 3gas h GLU 79 N -0.39 0.57 0.00 1.57 4.39 -1.72 -3.23 114.58 115.77 3gas h GLU 79 Ca -0.03 -0.59 -0.00 0.00 0.34 0.00 0.00 59.36 59.08 3gas h GLU 79 Cb 0.30 0.16 -0.00 0.00 -0.10 0.00 0.00 28.75 29.11 3gas h GLU 79 CO 0.04 1.20 -0.02 0.87 -1.16 0.00 0.00 179.01 179.95 3gas h LYS 80 N 0.33 0.00 -0.38 2.33 1.57 -1.21 -1.48 116.57 117.73 3gas h LYS 80 Ca -0.09 0.00 0.01 0.00 -1.87 0.00 0.00 60.65 58.70 3gas h LYS 80 Cb 1.59 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.88 3gas h LYS 80 CO 0.18 0.02 0.25 1.15 -0.57 0.00 0.00 179.45 180.48 3gas h THR 81 N 0.00 1.07 -0.00 -0.16 2.02 -1.42 -2.62 112.91 111.79 3gas h THR 81 Ca -0.00 -0.16 0.00 0.00 0.77 0.00 0.00 66.41 67.02 3gas h THR 81 Cb 0.07 0.56 0.00 0.00 -1.74 0.00 0.00 68.15 67.04 3gas h THR 81 CO 0.00 0.08 -0.13 1.41 0.37 0.00 0.00 175.52 177.25 3gas n HIS 82 N -4.48 0.00 -2.31 3.16 8.25 -0.56 -4.67 115.22 114.61 3gas n HIS 82 Ca 0.03 0.00 -0.35 0.00 -0.26 0.00 0.00 57.72 57.14 3gas n HIS 82 Cb 0.10 -0.22 -0.03 0.00 1.12 0.00 0.00 29.99 30.95 3gas n HIS 82 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 3gas s ASP 83 N -2.57 5.87 0.48 0.41 -1.08 -0.99 -4.79 116.67 113.99 3gas s ASP 83 Ca 0.26 -1.77 0.22 0.00 -0.52 0.00 0.00 52.55 50.74 3gas s ASP 83 Cb 0.20 -2.58 1.24 0.00 -1.46 0.00 0.00 42.92 40.32 3gas s ASP 83 CO 0.50 -2.17 2.02 -0.07 0.52 0.00 0.00 175.17 175.98 3gas h LEU 84 N 15.32 0.00 -0.29 -1.34 3.38 -1.88 -1.48 115.31 129.02 3gas h LEU 84 Ca 0.28 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 58.07 3gas h LEU 84 Cb 0.93 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.68 3gas h LEU 84 CO 1.33 0.16 -0.52 0.11 0.09 0.00 0.00 178.44 179.61 3gas h LYS 85 N 0.00 0.87 -0.64 1.13 1.79 -1.99 0.72 116.57 118.45 3gas h LYS 85 Ca -0.00 -0.54 -0.06 0.00 -2.18 0.00 0.00 60.65 57.87 3gas h LYS 85 Cb 0.37 0.06 -0.03 0.00 -1.58 0.00 0.00 32.23 31.05 3gas h LYS 85 CO 0.02 1.18 0.18 0.78 -1.08 0.00 0.00 179.45 180.53 3gas h GLY 86 N 0.65 1.09 0.89 3.86 0.00 -1.87 -1.26 103.07 106.44 3gas h GLY 86 Ca 0.02 -0.67 -0.04 0.00 0.00 0.00 0.00 47.33 46.64 3gas h GLY 86 CO 0.12 0.62 0.04 -2.08 0.00 0.00 0.00 176.54 175.24 3gas h VAL 87 N 0.94 1.24 -0.94 4.60 2.07 -1.15 0.14 116.25 123.15 3gas h VAL 87 Ca 0.20 -0.85 0.12 0.00 0.82 0.00 0.00 66.70 67.00 3gas h VAL 87 Cb 0.33 1.18 -0.07 0.00 -1.52 0.00 0.00 31.29 31.20 3gas h VAL 87 CO -0.00 0.28 0.60 -0.08 0.02 0.00 0.00 177.57 178.39 3gas h GLU 88 N 0.35 0.85 -0.10 1.57 4.81 -0.62 0.18 114.58 121.62 3gas h GLU 88 Ca 0.09 -0.05 -0.22 0.00 -0.13 0.00 0.00 59.36 59.06 3gas h GLU 88 Cb 0.37 -0.19 0.01 0.00 0.63 0.00 0.00 28.75 29.56 3gas h GLU 88 CO 0.01 0.57 -0.81 1.49 -0.73 0.00 0.00 179.01 179.53 3gas h GLU 89 N 0.88 0.63 -0.78 1.92 4.57 -0.76 -2.69 114.58 118.36 3gas h GLU 89 Ca 0.46 -0.55 -0.02 0.00 -1.18 0.00 0.00 59.36 58.07 3gas h GLU 89 Cb 0.53 0.12 -0.04 0.00 -0.16 0.00 0.00 28.75 29.21 3gas h GLU 89 CO -0.22 1.17 0.40 0.93 -1.18 0.00 0.00 179.01 180.11 3gas h GLU 90 N 0.42 1.09 -0.37 1.92 5.08 0.90 -1.23 114.58 122.40 3gas h GLU 90 Ca -0.06 -0.13 -0.02 0.00 -1.00 0.00 0.00 59.36 58.15 3gas h GLU 90 Cb 1.43 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 30.45 3gas h GLU 90 CO 0.16 0.82 0.17 0.28 -1.00 0.00 0.00 179.01 179.43 3gas h VAL 91 N 1.09 1.17 -0.12 3.13 2.07 -0.66 0.14 116.25 123.07 3gas h VAL 91 Ca 0.27 -0.50 0.00 0.00 0.82 0.00 0.00 66.70 67.29 3gas h VAL 91 Cb 0.06 0.83 -0.01 0.00 -1.52 0.00 0.00 31.29 30.65 3gas h VAL 91 CO -0.04 0.19 0.08 0.50 0.02 0.00 0.00 177.57 178.32 3gas h LYS 92 N 0.45 0.17 -0.37 1.57 3.64 -1.12 -2.23 116.57 118.67 3gas h LYS 92 Ca 0.13 -0.01 -0.05 0.00 -1.27 0.00 0.00 60.65 59.44 3gas h LYS 92 Cb 0.14 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 31.90 3gas h LYS 92 CO -0.01 0.11 0.02 0.00 -2.27 0.00 0.00 179.45 177.29 3gas h ALA 93 N 1.04 1.33 -0.03 5.00 0.00 -1.12 -2.55 119.26 122.93 3gas h ALA 93 Ca 0.05 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 54.75 3gas h ALA 93 Cb -0.01 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.61 3gas h ALA 93 CO -0.01 0.46 0.02 0.35 0.00 0.00 0.00 179.25 180.07 3gas h PHE 94 N 0.56 0.04 -0.56 0.00 3.57 -0.26 -2.30 116.94 117.99 3gas h PHE 94 Ca 0.12 0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.59 3gas h PHE 94 Cb 0.33 -0.01 -0.03 0.00 2.79 0.00 0.00 35.95 39.03 3gas h PHE 94 CO 0.01 0.06 0.20 0.87 -2.23 0.00 0.00 178.31 177.23 3gas h LYS 95 N 0.01 0.81 0.00 1.11 1.57 -1.27 -1.56 116.57 117.24 3gas h LYS 95 Ca 0.01 -0.13 0.00 0.00 -1.87 0.00 0.00 60.65 58.66 3gas h LYS 95 Cb 0.03 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.20 3gas h LYS 95 CO -0.00 0.68 0.00 0.93 -0.57 0.00 0.00 179.45 180.49 3gas h GLU 96 N 0.80 0.00 -0.12 3.15 5.08 -1.18 -2.90 114.58 119.41 3gas h GLU 96 Ca 0.19 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.55 3gas h GLU 96 Cb 0.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.44 3gas h GLU 96 CO -0.01 0.00 0.00 0.41 -1.00 0.00 0.00 179.01 178.41 3gas n GLY 97 N 0.00 -0.20 3.30 -3.84 0.00 -0.59 -4.88 105.19 98.98 3gas n GLY 97 Ca 0.02 -0.28 -0.21 0.00 0.00 0.00 0.00 46.02 45.55 3gas n GLY 97 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3gas s PHE 98 N -1.85 1.67 -0.08 1.61 0.40 -1.10 -5.01 117.98 113.63 3gas s PHE 98 Ca 0.27 -0.49 0.12 0.00 -0.60 0.00 0.00 56.93 56.23 3gas s PHE 98 Cb 0.14 -0.86 0.18 0.00 0.51 0.00 0.00 43.02 42.99 3gas s PHE 98 CO 0.21 0.25 1.08 -0.25 0.70 0.00 0.00 175.22 177.21 3gas n ASP 99 N 0.47 2.02 -3.47 1.36 8.00 -1.26 -4.94 116.55 118.73 3gas n ASP 99 Ca -0.15 -2.65 -0.10 0.00 0.71 0.00 0.00 54.79 52.60 3gas n ASP 99 Cb 0.57 -0.28 -0.02 0.00 -0.02 0.00 0.00 41.12 41.36 3gas n ASP 99 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 3gas s SER 100 N -2.15 -0.48 0.14 -2.24 1.04 -1.26 -0.72 113.70 108.04 3gas s SER 100 Ca 0.20 -0.03 -0.01 0.00 0.48 0.00 0.00 55.95 56.59 3gas s SER 100 Cb 0.18 0.53 -0.04 0.00 0.10 0.00 0.00 66.02 66.78 3gas s SER 100 CO 0.02 -0.86 0.07 0.68 0.98 0.00 0.00 173.24 174.13 3gas s VAL 101 N -3.53 0.08 0.08 5.02 -7.23 -0.32 -4.77 120.40 109.73 3gas s VAL 101 Ca 0.03 -1.93 0.01 0.00 -1.81 0.00 0.00 61.98 58.28 3gas s VAL 101 Cb -0.01 -2.13 -0.04 0.00 0.56 0.00 0.00 36.38 34.76 3gas s VAL 101 CO -0.11 -0.38 0.22 0.00 -0.31 0.00 0.00 175.10 174.53 3gas s LEU 103 N -2.68 2.29 -0.11 0.00 1.43 0.14 -4.41 118.68 115.33 3gas s LEU 103 Ca 0.35 -0.62 0.03 0.00 -1.03 0.00 0.00 54.13 52.86 3gas s LEU 103 Cb -0.13 -0.37 0.01 0.00 0.03 0.00 0.00 46.19 45.73 3gas s LEU 103 CO 0.28 -0.14 -0.19 0.00 0.23 0.00 0.00 176.35 176.53 3gas s ALA 104 N -1.45 1.91 0.26 4.21 0.00 -0.62 -1.29 121.76 124.77 3gas s ALA 104 Ca -0.04 -0.85 0.02 0.00 0.00 0.00 0.00 51.96 51.09 3gas s ALA 104 Cb -0.09 -0.83 -0.05 0.00 0.00 0.00 0.00 23.12 22.14 3gas s ALA 104 CO 0.01 0.06 0.06 0.95 0.00 0.00 0.00 175.76 176.85 3gas s THR 105 N 0.72 0.76 -0.33 0.00 -4.23 -0.39 -2.01 115.64 110.16 3gas s THR 105 Ca -0.11 -2.00 -0.02 0.00 -1.18 0.00 0.00 61.69 58.37 3gas s THR 105 Cb -0.16 -2.56 0.06 0.00 1.34 0.00 0.00 72.50 71.18 3gas s THR 105 CO 0.02 -0.10 0.05 -0.22 -0.54 0.00 0.00 174.62 173.83 3gas s LEU 106 N -3.33 4.25 0.54 4.79 2.96 -1.26 -0.74 118.68 125.89 3gas s LEU 106 Ca 0.35 -1.45 -0.19 0.00 -0.22 0.00 0.00 54.13 52.62 3gas s LEU 106 Cb 0.07 -1.75 -0.06 0.00 0.50 0.00 0.00 46.19 44.96 3gas s LEU 106 CO 0.12 -0.33 1.08 -2.28 -1.32 0.00 0.00 176.35 173.62 3gas s HIS 107 N 1.23 2.86 0.66 5.38 5.65 -0.79 -4.14 115.29 126.14 3gas s HIS 107 Ca -0.02 1.55 0.38 0.00 0.25 0.00 0.00 55.06 57.23 3gas s HIS 107 Cb -0.20 -3.13 2.11 0.00 -1.18 0.00 0.00 32.58 30.18 3gas s HIS 107 CO -0.02 -1.20 2.22 -1.35 -0.65 0.00 0.00 174.74 173.74 3gas h PRO 108 N 1.06 0.00 0.00 2.88 0.11 -1.88 0.11 132.00 134.28 3gas h PRO 108 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 3gas h PRO 108 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 3gas h PRO 108 CO 0.58 0.00 0.00 0.27 -0.21 0.00 0.00 178.00 178.64 3gas n ASN 109 N -3.14 0.00 0.00 -2.05 0.23 -1.26 -4.87 115.26 104.17 3gas n ASN 109 Ca -0.02 -1.41 0.00 0.00 -0.53 0.00 0.00 54.58 52.62 3gas n ASN 109 Cb 0.18 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.88 3gas n ASN 109 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3gas n GLY 110 N 0.64 2.04 3.84 4.83 0.00 0.39 -5.03 105.19 111.90 3gas n GLY 110 Ca 0.11 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.78 3gas n GLY 110 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3gas s HIS 111 N -2.86 3.58 0.68 1.61 5.04 -1.26 -4.84 115.29 117.25 3gas s HIS 111 Ca 0.00 1.12 -0.12 0.00 -1.54 0.00 0.00 55.06 54.52 3gas s HIS 111 Cb 0.00 -2.42 0.00 0.00 0.04 0.00 0.00 32.58 30.20 3gas s HIS 111 CO 0.00 0.37 1.06 0.14 -2.34 0.00 0.00 174.74 173.97 3gas s VAL 112 N -1.55 3.92 -0.06 0.89 -7.23 -1.26 -1.88 120.40 113.23 3gas s VAL 112 Ca 0.41 0.68 0.01 0.00 -1.81 0.00 0.00 61.98 61.27 3gas s VAL 112 Cb -0.15 -3.35 0.02 0.00 0.56 0.00 0.00 36.38 33.46 3gas s VAL 112 CO 0.20 -0.76 -0.07 -0.69 -0.31 0.00 0.00 175.10 173.47 3gas s VAL 113 N -2.91 0.76 -0.24 1.32 1.01 0.08 -4.84 120.40 115.58 3gas s VAL 113 Ca 0.59 -0.23 -0.04 0.00 0.00 0.00 0.00 61.98 62.31 3gas s VAL 113 Cb -0.15 -0.76 -0.00 0.00 0.00 0.00 0.00 36.38 35.47 3gas s VAL 113 CO 0.51 0.28 -0.02 0.00 0.00 0.00 0.00 175.10 175.87 3gas n SER 115 N 4.79 -0.13 -3.96 0.00 3.41 -0.42 -4.99 113.62 112.33 3gas n SER 115 Ca -0.17 -1.20 -0.09 0.00 -0.26 0.00 0.00 58.87 57.15 3gas n SER 115 Cb 0.50 0.25 -0.09 0.00 -0.26 0.00 0.00 64.21 64.60 3gas n SER 115 CO 0.00 0.00 0.00 -0.72 -0.16 0.00 0.00 175.04 174.16 3gas s TYR 116 N -4.43 0.28 0.05 7.33 -0.85 -1.26 0.27 117.35 118.73 3gas s TYR 116 Ca 0.03 -0.67 -0.14 0.00 -0.52 0.00 0.00 57.07 55.78 3gas s TYR 116 Cb -0.00 -0.19 0.02 0.00 0.38 0.00 0.00 41.96 42.17 3gas s TYR 116 CO 0.02 -0.39 0.30 0.00 -1.52 0.00 0.00 175.55 173.96 3gas s ALA 117 N -3.13 -0.67 0.40 9.51 0.00 -0.42 -4.94 121.76 122.50 3gas s ALA 117 Ca -0.00 -0.01 -0.27 0.00 0.00 0.00 0.00 51.96 51.68 3gas s ALA 117 Cb 0.02 0.33 -0.10 0.00 0.00 0.00 0.00 23.12 23.37 3gas s ALA 117 CO -0.07 -0.42 1.41 -2.14 0.00 0.00 0.00 175.76 174.54 3gas s PRO 118 N -2.59 4.00 0.35 0.00 0.02 -1.26 -1.17 135.00 134.35 3gas s PRO 118 Ca -0.05 2.40 0.08 0.00 0.02 0.00 0.00 61.00 63.45 3gas s PRO 118 Cb -0.01 -2.85 -0.03 0.00 0.02 0.00 0.00 34.50 31.63 3gas s PRO 118 CO -0.04 -0.56 0.25 -1.17 -0.33 0.00 0.00 177.00 175.16 3gas s LEU 119 N -2.29 3.43 0.00 -5.54 2.96 0.10 -2.44 118.68 114.89 3gas s LEU 119 Ca 0.55 -0.66 0.00 0.00 -0.22 0.00 0.00 54.13 53.81 3gas s LEU 119 Cb -0.43 -1.99 0.00 0.00 0.50 0.00 0.00 46.19 44.27 3gas s LEU 119 CO 0.57 -0.39 0.00 -1.54 -1.32 0.00 0.00 176.35 173.66 3gas n SER 121 N -1.32 0.00 -3.59 3.68 3.41 -1.26 -4.57 113.62 109.97 3gas n SER 121 Ca -0.01 0.00 -0.29 0.00 -0.26 0.00 0.00 58.87 58.30 3gas n SER 121 Cb 0.61 0.00 -0.13 0.00 -0.26 0.00 0.00 64.21 64.42 3gas n SER 121 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3gas s ASP 122 N 0.00 3.42 1.56 4.04 2.15 -0.10 -4.51 116.67 123.23 3gas s ASP 122 Ca 0.00 -2.04 0.00 0.00 0.43 0.00 0.00 52.55 50.94 3gas s ASP 122 Cb 0.00 -0.63 0.00 0.00 -0.30 0.00 0.00 42.92 41.99 3gas s ASP 122 CO 0.00 -0.34 0.00 0.61 -0.17 0.00 0.00 175.17 175.27 3gas n GLY 123 N 4.27 2.52 0.04 2.66 0.00 -1.26 -1.78 105.19 111.64 3gas n GLY 123 Ca 0.06 -0.29 0.14 0.00 0.00 0.00 0.00 46.02 45.92 3gas n GLY 123 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3gas n LYS 124 N 13.11 0.09 -2.86 1.61 5.02 -1.26 -4.77 118.16 129.10 3gas n LYS 124 Ca 0.00 0.07 -0.42 0.00 -2.02 0.00 0.00 58.31 55.95 3gas n LYS 124 Cb 0.00 -1.60 -0.04 0.00 -0.02 0.00 0.00 35.03 33.37 3gas n LYS 124 CO 0.00 0.00 0.00 -1.14 -0.52 0.00 0.00 177.40 175.74 3gas s GLN 125 N -3.04 4.32 0.23 1.97 2.00 -0.73 -5.05 119.66 119.36 3gas s GLN 125 Ca 0.13 1.07 0.07 0.00 -2.00 0.00 0.00 55.36 54.63 3gas s GLN 125 Cb 0.17 -3.57 -0.04 0.00 0.80 0.00 0.00 33.01 30.37 3gas s GLN 125 CO 0.56 -0.32 0.11 0.71 -0.50 0.00 0.00 175.29 175.86 3gas s TYR 126 N 2.10 2.99 0.16 1.67 1.51 -1.26 -0.93 117.35 123.59 3gas s TYR 126 Ca 0.40 -0.12 -0.10 0.00 -1.01 0.00 0.00 57.07 56.23 3gas s TYR 126 Cb -0.17 -1.37 -0.00 0.00 -0.11 0.00 0.00 41.96 40.31 3gas s TYR 126 CO 0.13 0.54 0.31 0.71 -1.11 0.00 0.00 175.55 176.13 3gas s TYR 127 N -2.06 0.28 0.26 2.71 2.02 -1.26 -1.09 117.35 118.21 3gas s TYR 127 Ca 0.31 -0.65 0.08 0.00 -0.37 0.00 0.00 57.07 56.45 3gas s TYR 127 Cb -0.08 0.01 -0.05 0.00 -0.40 0.00 0.00 41.96 41.44 3gas s TYR 127 CO 0.23 -0.72 -0.12 0.96 -1.57 0.00 0.00 175.55 174.32 3gas s ILE 128 N -3.94 1.88 -0.16 2.71 -4.36 0.03 -4.43 121.20 112.94 3gas s ILE 128 Ca 0.14 -2.22 -0.01 0.00 -0.26 0.00 0.00 60.65 58.31 3gas s ILE 128 Cb 0.03 -2.30 0.04 0.00 1.25 0.00 0.00 42.46 41.49 3gas s ILE 128 CO -0.02 -0.42 -0.04 -0.47 0.24 0.00 0.00 174.94 174.23 3gas s TYR 129 N -2.87 1.61 0.10 1.37 5.04 -1.02 -0.79 117.35 120.78 3gas s TYR 129 Ca 0.27 -1.02 0.02 0.00 -2.44 0.00 0.00 57.07 53.90 3gas s TYR 129 Cb 0.00 -1.27 -0.04 0.00 0.35 0.00 0.00 41.96 41.00 3gas s TYR 129 CO 0.11 -0.60 -0.07 0.14 -1.34 0.00 0.00 175.55 173.79 3gas s VAL 130 N 1.67 0.74 0.03 3.14 -7.23 -0.66 -4.17 120.40 113.92 3gas s VAL 130 Ca 0.01 -1.90 0.00 0.00 -1.81 0.00 0.00 61.98 58.28 3gas s VAL 130 Cb -0.15 -1.64 -0.04 0.00 0.56 0.00 0.00 36.38 35.11 3gas s VAL 130 CO -0.08 -0.83 0.14 -0.55 -0.31 0.00 0.00 175.10 173.47 3gas s SER 131 N -2.97 5.97 0.31 4.85 0.15 -1.26 0.02 113.70 120.77 3gas s SER 131 Ca 0.11 0.18 0.24 0.00 0.70 0.00 0.00 55.95 57.18 3gas s SER 131 Cb 0.04 -1.76 1.12 0.00 -1.71 0.00 0.00 66.02 63.71 3gas s SER 131 CO -0.04 0.22 1.72 -0.33 1.20 0.00 0.00 173.24 176.01 3gas h GLU 132 N 3.57 0.00 0.00 5.44 5.08 -1.44 -2.01 114.58 125.22 3gas h GLU 132 Ca -0.47 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.89 3gas h GLU 132 Cb 1.17 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.42 3gas h GLU 132 CO 0.68 0.00 0.00 0.28 -1.00 0.00 0.00 179.01 178.97 3gas h VAL 133 N 0.00 0.00 -3.51 3.13 2.07 -1.94 -3.46 116.25 112.54 3gas h VAL 133 Ca 0.00 -0.80 -0.53 0.00 0.82 0.00 0.00 66.70 66.20 3gas h VAL 133 Cb 0.20 1.79 -0.03 0.00 -1.52 0.00 0.00 31.29 31.72 3gas h VAL 133 CO 0.00 0.00 0.05 0.00 0.02 0.00 0.00 177.57 177.64 3gas s ALA 134 N -3.25 3.46 0.51 1.67 0.00 -0.76 -4.99 121.76 118.40 3gas s ALA 134 Ca 0.07 0.06 0.19 0.00 0.00 0.00 0.00 51.96 52.28 3gas s ALA 134 Cb 0.07 -2.72 1.27 0.00 0.00 0.00 0.00 23.12 21.74 3gas s ALA 134 CO 0.63 0.37 2.06 0.93 0.00 0.00 0.00 175.76 179.75 3gas h GLU 135 N 3.36 0.07 0.00 0.00 5.08 -1.88 -1.15 114.58 120.06 3gas h GLU 135 Ca -0.48 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.88 3gas h GLU 135 Cb 1.19 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.42 3gas h GLU 135 CO 0.65 0.05 0.00 1.12 -1.00 0.00 0.00 179.01 179.83 3gas h HIS 136 N 0.07 0.00 -0.35 4.33 2.07 -1.94 -3.27 115.15 116.07 3gas h HIS 136 Ca 0.14 0.00 -0.00 0.00 -2.85 0.00 0.00 60.37 57.66 3gas h HIS 136 Cb 0.47 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 30.44 3gas h HIS 136 CO -0.00 0.00 0.20 0.35 -3.07 0.00 0.00 177.93 175.41 3gas h PHE 137 N 0.00 0.47 -0.99 6.12 3.57 -1.43 -1.67 116.94 123.01 3gas h PHE 137 Ca 0.00 -0.01 0.08 0.00 3.53 0.00 0.00 57.97 61.57 3gas h PHE 137 Cb 0.51 -0.15 -0.07 0.00 2.79 0.00 0.00 35.95 39.03 3gas h PHE 137 CO 0.00 0.35 0.64 0.00 -2.23 0.00 0.00 178.31 177.07 3gas h ALA 138 N 1.07 1.45 -0.22 2.41 0.00 -1.73 0.50 119.26 122.74 3gas h ALA 138 Ca 0.12 -0.02 -0.16 0.00 0.00 0.00 0.00 54.91 54.85 3gas h ALA 138 Cb 0.03 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 3gas h ALA 138 CO -0.02 0.39 -0.53 0.78 0.00 0.00 0.00 179.25 179.86 3gas h GLY 139 N 1.12 0.70 2.00 0.00 0.00 -1.67 0.14 103.07 105.36 3gas h GLY 139 Ca 0.44 -0.80 -0.08 0.00 0.00 0.00 0.00 47.33 46.89 3gas h GLY 139 CO -0.18 0.72 -0.39 1.41 0.00 0.00 0.00 176.54 178.09 3gas h LEU 140 N 0.49 0.00 0.00 3.11 3.38 -0.30 0.41 115.31 122.40 3gas h LEU 140 Ca 0.01 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 3gas h LEU 140 Cb 1.09 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.84 3gas h LEU 140 CO 0.11 0.39 -0.07 0.50 0.09 0.00 0.00 178.44 179.45 3gas h LYS 141 N 0.00 0.00 0.00 1.13 3.64 -0.67 -3.22 116.57 117.44 3gas h LYS 141 Ca -0.00 0.00 -0.17 0.00 -1.27 0.00 0.00 60.65 59.21 3gas h LYS 141 Cb 0.70 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.50 3gas h LYS 141 CO 0.05 0.47 -0.81 -0.91 -2.27 0.00 0.00 179.45 175.99 3gas h ASN 142 N -1.00 0.01 -2.08 4.20 4.21 -0.77 -3.36 115.58 116.79 3gas h ASN 142 Ca -0.01 -0.01 -0.54 0.00 1.21 0.00 0.00 56.30 56.95 3gas h ASN 142 Cb 0.51 -0.00 -0.41 0.00 -1.12 0.00 0.00 38.32 37.29 3gas h ASN 142 CO -0.01 0.81 -0.89 0.59 -1.29 0.00 0.00 177.43 176.64 3gas n ASN 143 N -3.58 2.93 0.29 5.81 3.02 0.13 -4.94 115.26 118.93 3gas n ASN 143 Ca -0.01 -3.38 0.18 0.00 -0.03 0.00 0.00 54.58 51.35 3gas n ASN 143 Cb 0.78 -0.58 0.96 0.00 -0.61 0.00 0.00 39.78 40.33 3gas n ASN 143 CO 0.00 0.00 0.00 1.55 -2.62 0.00 0.00 177.26 176.19 3gas h PRO 144 N 2.97 0.00 -0.28 3.52 0.13 -1.61 -2.23 132.00 134.50 3gas h PRO 144 Ca 0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 3gas h PRO 144 Cb 0.74 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.87 3gas h PRO 144 CO 0.68 0.00 0.00 0.72 -0.23 0.00 0.00 178.00 179.17 3gas n HIS 145 N -3.26 0.86 -3.62 1.56 8.25 -1.26 -1.11 115.22 116.65 3gas n HIS 145 Ca -0.01 -0.80 -0.27 0.00 -0.26 0.00 0.00 57.72 56.38 3gas n HIS 145 Cb 0.26 -0.26 -0.10 0.00 1.12 0.00 0.00 29.99 31.01 3gas n HIS 145 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 3gas n ASN 146 N -0.27 2.34 -3.86 0.41 2.85 -0.84 -4.82 115.26 111.07 3gas n ASN 146 Ca 0.19 -3.08 -0.12 0.00 -0.11 0.00 0.00 54.58 51.47 3gas n ASN 146 Cb 0.80 -0.69 -0.13 0.00 1.24 0.00 0.00 39.78 41.00 3gas n ASN 146 CO 0.00 0.00 0.00 -0.69 -2.11 0.00 0.00 177.26 174.46 3gas s VAL 147 N -1.44 0.01 -0.04 3.44 1.01 -1.24 -4.07 120.40 118.07 3gas s VAL 147 Ca 0.31 -0.12 0.05 0.00 0.00 0.00 0.00 61.98 62.22 3gas s VAL 147 Cb 0.04 -0.12 -0.01 0.00 0.00 0.00 0.00 36.38 36.29 3gas s VAL 147 CO -0.13 -0.07 -0.18 -0.70 0.00 0.00 0.00 175.10 174.02 3gas s GLU 148 N -0.18 1.85 0.32 2.72 2.12 -0.85 -0.49 118.70 124.18 3gas s GLU 148 Ca -0.02 -0.66 0.02 0.00 0.36 0.00 0.00 54.97 54.67 3gas s GLU 148 Cb -0.02 -1.62 0.02 0.00 0.26 0.00 0.00 34.13 32.78 3gas s GLU 148 CO 0.00 0.28 0.20 0.28 -0.54 0.00 0.00 175.26 175.48 3gas n VAL 149 N 3.04 0.00 -3.45 3.70 0.31 -0.51 -1.59 118.33 119.84 3gas n VAL 149 Ca -0.18 -1.32 -0.05 0.00 -0.01 0.00 0.00 64.34 62.78 3gas n VAL 149 Cb 0.53 -0.13 -0.07 0.00 -0.91 0.00 0.00 33.84 33.27 3gas n VAL 149 CO 0.00 0.00 0.00 -0.36 -1.32 0.00 0.00 176.83 175.15 3gas s PHE 151 N -1.70 -1.04 -0.13 3.52 0.08 0.63 -0.79 117.98 118.55 3gas s PHE 151 Ca 0.15 1.42 0.03 0.00 0.12 0.00 0.00 56.93 58.65 3gas s PHE 151 Cb -0.01 0.32 0.01 0.00 -0.57 0.00 0.00 43.02 42.77 3gas s PHE 151 CO 0.10 -0.67 -0.22 -1.17 -0.10 0.00 0.00 175.22 173.16 3gas s LEU 152 N 2.67 2.14 0.37 -0.37 2.96 -1.26 -1.11 118.68 124.08 3gas s LEU 152 Ca 0.07 -0.58 -0.28 0.00 -0.22 0.00 0.00 54.13 53.13 3gas s LEU 152 Cb -0.14 -1.44 -0.10 0.00 0.50 0.00 0.00 46.19 45.00 3gas s LEU 152 CO -0.16 0.11 1.42 -0.70 -1.32 0.00 0.00 176.35 175.69 3gas s GLU 153 N 0.66 4.14 0.35 1.98 2.12 -0.20 -4.92 118.70 122.83 3gas s GLU 153 Ca -0.11 2.43 -0.28 0.00 0.36 0.00 0.00 54.97 57.37 3gas s GLU 153 Cb -0.16 -2.96 -0.12 0.00 0.26 0.00 0.00 34.13 31.15 3gas s GLU 153 CO 0.02 -0.45 1.28 -0.25 -0.54 0.00 0.00 175.26 175.32 3gas n ASP 154 N 0.48 2.72 -0.34 -1.70 8.00 -1.26 -4.75 116.55 119.70 3gas n ASP 154 Ca 0.01 1.20 -0.01 0.00 0.71 0.00 0.00 54.79 56.70 3gas n ASP 154 Cb 0.40 -1.48 0.15 0.00 -0.02 0.00 0.00 41.12 40.17 3gas n ASP 154 CO 0.00 0.00 0.00 -0.08 -0.39 0.00 0.00 177.20 176.73 3gas h GLU 155 N 2.49 1.23 0.00 -1.24 4.81 -1.96 -1.60 114.58 118.31 3gas h GLU 155 Ca -0.46 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 58.69 3gas h GLU 155 Cb 1.28 -0.28 0.00 0.00 0.63 0.00 0.00 28.75 30.39 3gas h GLU 155 CO 0.62 0.81 0.00 -1.13 -0.73 0.00 0.00 179.01 178.58 3gas n SER 156 N -4.41 0.24 -0.00 1.04 3.41 -1.26 -2.61 113.62 110.03 3gas n SER 156 Ca 0.12 0.56 0.07 0.00 -0.26 0.00 0.00 58.87 59.36 3gas n SER 156 Cb 0.04 -0.61 -0.10 0.00 -0.26 0.00 0.00 64.21 63.28 3gas n SER 156 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3gas n LYS 157 N -1.77 1.09 -1.54 4.33 5.02 -0.67 -5.03 118.16 119.59 3gas n LYS 157 Ca 0.03 -0.09 -0.31 0.00 -2.02 0.00 0.00 58.31 55.92 3gas n LYS 157 Cb 0.18 -1.29 0.06 0.00 -0.02 0.00 0.00 35.03 33.95 3gas n LYS 157 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3gas s ALA 158 N -2.80 2.63 0.24 7.82 0.00 -0.78 -4.96 121.76 123.91 3gas s ALA 158 Ca -0.02 0.09 -0.06 0.00 0.00 0.00 0.00 51.96 51.98 3gas s ALA 158 Cb 0.10 -3.18 0.33 0.00 0.00 0.00 0.00 23.12 20.37 3gas s ALA 158 CO 0.61 -1.29 1.83 0.87 0.00 0.00 0.00 175.76 177.79 3gas h LYS 159 N -0.77 0.85 -2.56 0.00 1.79 -1.86 -3.46 116.57 110.57 3gas h LYS 159 Ca -0.44 -0.05 0.13 0.00 -2.18 0.00 0.00 60.65 58.12 3gas h LYS 159 Cb 1.21 -0.19 -0.05 0.00 -1.58 0.00 0.00 32.23 31.62 3gas h LYS 159 CO 0.56 0.57 0.47 -1.54 -1.08 0.00 0.00 179.45 178.43 3gas s SER 160 N -5.70 -0.08 0.50 0.86 1.04 -1.26 -4.64 113.70 104.42 3gas s SER 160 Ca -0.13 -0.64 0.23 0.00 0.48 0.00 0.00 55.95 55.90 3gas s SER 160 Cb 0.18 0.57 1.31 0.00 0.10 0.00 0.00 66.02 68.17 3gas s SER 160 CO 0.78 -1.09 2.05 0.00 0.98 0.00 0.00 173.24 175.96 3gas h ALA 161 N 2.00 1.41 -0.02 5.32 0.00 -1.89 -2.41 119.26 123.67 3gas h ALA 161 Ca -0.26 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.52 3gas h ALA 161 Cb 1.23 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.00 3gas h ALA 161 CO 0.32 0.18 -0.08 0.44 0.00 0.00 0.00 179.25 180.10 3gas n ILE 162 N -3.86 0.00 -3.21 0.00 -5.35 -1.26 -4.41 119.36 101.27 3gas n ILE 162 Ca -0.02 -0.31 -0.23 0.00 -0.27 0.00 0.00 62.75 61.91 3gas n ILE 162 Cb 0.24 0.87 -0.06 0.00 -1.74 0.00 0.00 39.64 38.95 3gas n ILE 162 CO 0.00 0.00 0.00 -0.11 -1.76 0.00 0.00 176.55 174.68 3gas n LEU 163 N 0.41 1.20 -4.67 7.28 7.94 -0.91 -5.06 117.00 123.19 3gas n LEU 163 Ca 0.16 -4.95 -0.39 0.00 -1.11 0.00 0.00 56.01 49.72 3gas n LEU 163 Cb 0.44 0.36 -0.07 0.00 0.53 0.00 0.00 43.42 44.68 3gas n LEU 163 CO 0.19 2.13 0.21 -0.13 -1.11 0.00 0.00 177.39 178.68 3gas s ARG 164 N -1.81 4.21 0.45 1.96 0.52 -1.24 -3.65 118.95 119.39 3gas s ARG 164 Ca 0.38 0.39 -0.25 0.00 -0.52 0.00 0.00 55.73 55.73 3gas s ARG 164 Cb 0.21 -3.54 -0.08 0.00 0.52 0.00 0.00 34.95 32.06 3gas s ARG 164 CO -0.09 -0.09 1.34 0.15 0.02 0.00 0.00 175.30 176.63 3gas s LYS 165 N 1.45 3.71 0.02 3.54 1.02 -1.26 -4.79 119.74 123.43 3gas s LYS 165 Ca 0.24 2.22 -0.12 0.00 0.02 0.00 0.00 55.97 58.32 3gas s LYS 165 Cb -0.15 -2.60 0.01 0.00 -0.52 0.00 0.00 37.83 34.57 3gas s LYS 165 CO 0.10 -0.72 0.25 -0.98 -0.92 0.00 0.00 175.35 173.08 3gas s ARG 166 N -2.47 0.71 -0.15 1.68 3.03 -0.93 -1.03 118.95 119.80 3gas s ARG 166 Ca 0.61 -0.46 -0.02 0.00 2.03 0.00 0.00 55.73 57.90 3gas s ARG 166 Cb -0.39 0.30 0.04 0.00 -1.03 0.00 0.00 34.95 33.87 3gas s ARG 166 CO 0.50 -0.21 -0.01 -1.17 -1.13 0.00 0.00 175.30 173.28 3gas s LEU 167 N -1.83 1.15 -0.07 -1.89 2.96 -0.27 -1.27 118.68 117.47 3gas s LEU 167 Ca -0.08 -0.54 0.05 0.00 -0.22 0.00 0.00 54.13 53.34 3gas s LEU 167 Cb -0.03 -0.66 -0.01 0.00 0.50 0.00 0.00 46.19 45.99 3gas s LEU 167 CO -0.01 -0.23 -0.23 -0.13 -1.32 0.00 0.00 176.35 174.44 3gas s ARG 168 N 1.81 2.70 -0.07 1.98 0.52 -0.19 -0.27 118.95 125.44 3gas s ARG 168 Ca 0.02 -0.86 0.02 0.00 -0.52 0.00 0.00 55.73 54.39 3gas s ARG 168 Cb -0.15 -2.25 0.01 0.00 0.52 0.00 0.00 34.95 33.08 3gas s ARG 168 CO -0.07 0.36 -0.11 0.71 0.02 0.00 0.00 175.30 176.21 3gas s TYR 169 N -0.10 1.41 0.20 -0.53 2.02 0.03 -0.67 117.35 119.71 3gas s TYR 169 Ca -0.05 -0.53 -0.30 0.00 -0.37 0.00 0.00 57.07 55.82 3gas s TYR 169 Cb -0.14 -1.05 -0.09 0.00 -0.40 0.00 0.00 41.96 40.28 3gas s TYR 169 CO 0.04 -0.29 1.31 0.15 -1.57 0.00 0.00 175.55 175.19 3gas s LYS 170 N 0.78 4.38 0.01 -0.62 -0.14 0.03 -1.42 119.74 122.76 3gas s LYS 170 Ca -0.12 2.06 0.03 0.00 -1.36 0.00 0.00 55.97 56.57 3gas s LYS 170 Cb -0.15 -3.20 -0.01 0.00 -1.68 0.00 0.00 37.83 32.79 3gas s LYS 170 CO 0.02 -0.26 -0.09 0.99 -0.76 0.00 0.00 175.35 175.25 3gas s THR 171 N 0.16 0.70 -0.18 2.17 2.01 0.35 -0.50 115.64 120.35 3gas s THR 171 Ca 0.57 -0.63 -0.08 0.00 0.31 0.00 0.00 61.69 61.86 3gas s THR 171 Cb -0.37 -0.64 -0.04 0.00 0.01 0.00 0.00 72.50 71.47 3gas s THR 171 CO 0.38 0.02 0.07 0.20 -0.69 0.00 0.00 174.62 174.60 3gas s ASN 172 N -0.68 5.74 0.27 3.53 0.01 0.02 -3.67 114.94 120.16 3gas s ASN 172 Ca -0.00 0.13 0.10 0.00 -0.71 0.00 0.00 52.86 52.37 3gas s ASN 172 Cb -0.05 -1.97 -0.04 0.00 0.41 0.00 0.00 41.25 39.59 3gas s ASN 172 CO 0.00 0.20 -0.01 0.42 -1.51 0.00 0.00 177.10 176.20 3gas s THR 173 N 0.25 3.42 -0.19 1.60 -4.23 -0.26 -0.30 115.64 115.93 3gas s THR 173 Ca 0.05 -1.93 -0.26 0.00 -1.18 0.00 0.00 61.69 58.37 3gas s THR 173 Cb -0.12 -2.82 0.07 0.00 1.34 0.00 0.00 72.50 70.96 3gas s THR 173 CO -0.00 -0.37 0.69 0.00 -0.54 0.00 0.00 174.62 174.39 3gas s ARG 174 N -3.66 0.89 0.36 3.99 1.70 -1.02 -4.73 118.95 116.48 3gas s ARG 174 Ca 0.31 0.71 -0.26 0.00 -0.47 0.00 0.00 55.73 56.03 3gas s ARG 174 Cb -0.06 0.43 -0.09 0.00 -0.57 0.00 0.00 34.95 34.66 3gas s ARG 174 CO 0.20 -0.18 1.07 -0.06 -1.08 0.00 0.00 175.30 175.26 3gas s PHE 175 N -0.18 3.35 -0.17 5.89 0.08 -1.26 -0.64 117.98 125.05 3gas s PHE 175 Ca -0.04 1.66 -0.00 0.00 0.12 0.00 0.00 56.93 58.67 3gas s PHE 175 Cb -0.03 -3.20 0.00 0.00 -0.57 0.00 0.00 43.02 39.22 3gas s PHE 175 CO 0.04 -0.66 -0.15 0.42 -0.10 0.00 0.00 175.22 174.77 3gas s ILE 176 N -1.48 2.66 0.63 0.64 -1.09 -0.10 -4.86 121.20 117.59 3gas s ILE 176 Ca 0.54 -0.76 -0.14 0.00 -2.23 0.00 0.00 60.65 58.06 3gas s ILE 176 Cb -0.26 -2.13 -0.02 0.00 -1.58 0.00 0.00 42.46 38.46 3gas s ILE 176 CO 0.33 0.51 1.05 -1.61 -1.23 0.00 0.00 174.94 173.98 3gas s GLU 177 N 0.95 3.25 0.64 2.79 0.41 -1.26 -4.24 118.70 121.24 3gas s GLU 177 Ca -0.03 1.05 -0.18 0.00 -0.41 0.00 0.00 54.97 55.40 3gas s GLU 177 Cb -0.15 -2.03 -0.01 0.00 -1.78 0.00 0.00 34.13 30.16 3gas s GLU 177 CO -0.02 -0.86 1.30 1.03 -0.49 0.00 0.00 175.26 176.22 3gas s ARG 178 N -4.53 2.57 0.00 1.61 1.81 -1.26 -4.43 118.95 114.72 3gas s ARG 178 Ca 0.60 2.08 0.00 0.00 -1.72 0.00 0.00 55.73 56.70 3gas s ARG 178 Cb -0.14 -1.86 0.00 0.00 -0.45 0.00 0.00 34.95 32.50 3gas s ARG 178 CO 0.45 -1.59 0.00 0.41 -0.68 0.00 0.00 175.30 173.89 3gas n GLY 179 N 0.90 -0.03 0.26 -3.53 0.00 -1.26 -4.91 105.19 96.62 3gas n GLY 179 Ca 0.16 -1.29 -0.09 0.00 0.00 0.00 0.00 46.02 44.80 3gas n GLY 179 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gas h ALA 180 N 0.00 0.70 -0.33 4.61 0.00 -1.99 -0.65 119.26 121.59 3gas h ALA 180 Ca 0.00 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 54.65 3gas h ALA 180 Cb 0.00 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 3gas h ALA 180 CO 0.00 0.43 0.12 1.49 0.00 0.00 0.00 179.25 181.29 3gas h GLU 181 N 0.75 0.50 -0.09 0.00 4.81 -1.93 -1.59 114.58 117.03 3gas h GLU 181 Ca 0.16 -0.10 0.03 0.00 -0.13 0.00 0.00 59.36 59.33 3gas h GLU 181 Cb 0.39 -0.08 -0.04 0.00 0.63 0.00 0.00 28.75 29.65 3gas h GLU 181 CO 0.01 0.52 -0.11 0.35 -0.73 0.00 0.00 179.01 179.04 3gas h PHE 182 N 0.39 -0.28 -0.35 0.92 3.57 -1.73 -2.48 116.94 116.97 3gas h PHE 182 Ca 0.11 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.59 3gas h PHE 182 Cb 0.21 0.14 -0.02 0.00 2.79 0.00 0.00 35.95 39.07 3gas h PHE 182 CO 0.00 -0.17 0.08 -0.44 -2.23 0.00 0.00 178.31 175.55 3gas h ASP 183 N -0.15 0.46 -0.53 0.41 3.32 -0.98 -0.62 116.42 118.34 3gas h ASP 183 Ca 0.07 -0.06 -0.08 0.00 0.02 0.00 0.00 57.03 56.99 3gas h ASP 183 Cb 0.25 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 39.66 3gas h ASP 183 CO -0.18 0.47 0.03 0.50 -1.72 0.00 0.00 179.24 178.34 3gas h LYS 184 N 0.50 0.92 -0.16 3.56 3.64 -0.92 0.33 116.57 124.43 3gas h LYS 184 Ca 0.12 -0.28 -0.05 0.00 -1.27 0.00 0.00 60.65 59.17 3gas h LYS 184 Cb 0.20 -0.09 -0.00 0.00 -0.41 0.00 0.00 32.23 31.92 3gas h LYS 184 CO -0.00 0.92 -0.10 0.00 -2.27 0.00 0.00 179.45 178.00 3gas h ALA 185 N 0.96 0.23 -0.46 5.00 0.00 -1.16 -2.30 119.26 121.53 3gas h ALA 185 Ca 0.15 -0.29 -0.13 0.00 0.00 0.00 0.00 54.91 54.64 3gas h ALA 185 Cb 0.49 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 3gas h ALA 185 CO 0.02 0.06 -0.24 0.35 0.00 0.00 0.00 179.25 179.44 3gas h PHE 186 N 0.01 1.11 -0.50 0.00 3.57 -1.02 -1.45 116.94 118.67 3gas h PHE 186 Ca 0.03 -0.28 -0.08 0.00 3.53 0.00 0.00 57.97 61.18 3gas h PHE 186 Cb 0.59 -0.26 -0.02 0.00 2.79 0.00 0.00 35.95 39.05 3gas h PHE 186 CO 0.07 1.09 -0.01 -0.44 -2.23 0.00 0.00 178.31 176.80 3gas h ASP 187 N 0.82 0.80 -0.78 0.41 3.32 -0.39 -1.15 116.42 119.45 3gas h ASP 187 Ca 0.10 -0.20 -0.04 0.00 0.02 0.00 0.00 57.03 56.91 3gas h ASP 187 Cb 0.82 -0.21 -0.04 0.00 0.22 0.00 0.00 39.33 40.12 3gas h ASP 187 CO 0.07 0.87 0.35 -1.28 -1.72 0.00 0.00 179.24 177.53 3gas h SER 188 N 0.77 1.06 -0.41 6.45 0.87 -1.18 -0.29 113.55 120.81 3gas h SER 188 Ca 0.15 -0.14 -0.08 0.00 -1.23 0.00 0.00 61.79 60.49 3gas h SER 188 Cb 0.48 -0.27 -0.01 0.00 -0.44 0.00 0.00 62.40 62.15 3gas h SER 188 CO 0.02 0.91 -0.04 0.15 -0.53 0.00 0.00 176.83 177.34 3gas h PHE 189 N 1.14 0.83 -0.59 2.24 3.57 -0.83 -0.25 116.94 123.05 3gas h PHE 189 Ca 0.27 -0.16 -0.03 0.00 3.53 0.00 0.00 57.97 61.58 3gas h PHE 189 Cb 0.16 -0.21 -0.03 0.00 2.79 0.00 0.00 35.95 38.66 3gas h PHE 189 CO 0.02 0.85 0.24 0.82 -2.23 0.00 0.00 178.31 178.01 3gas h ILE 190 N 0.58 1.23 -0.11 1.41 2.04 -0.83 -0.58 117.51 121.24 3gas h ILE 190 Ca 0.11 -0.70 -0.00 0.00 1.00 0.00 0.00 64.86 65.27 3gas h ILE 190 Cb 0.54 0.58 -0.01 0.00 -0.74 0.00 0.00 36.82 37.20 3gas h ILE 190 CO 0.03 0.27 0.06 -0.08 0.00 0.00 0.00 178.15 178.44 3gas h GLU 191 N 0.82 0.14 -0.20 2.37 4.57 -0.87 -0.01 114.58 121.40 3gas h GLU 191 Ca 0.20 -0.01 -0.03 0.00 -1.18 0.00 0.00 59.36 58.34 3gas h GLU 191 Cb 0.19 -0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 28.75 3gas h GLU 191 CO -0.02 0.13 0.01 -0.22 -1.18 0.00 0.00 179.01 177.73 3gas h LYS 192 N 0.11 0.34 0.00 1.92 3.64 -0.84 -3.28 116.57 118.47 3gas h LYS 192 Ca 0.04 -0.11 -0.11 0.00 -1.27 0.00 0.00 60.65 59.20 3gas h LYS 192 Cb 0.02 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 31.79 3gas h LYS 192 CO -0.01 0.53 -0.54 1.79 -2.27 0.00 0.00 179.45 178.96 3gas h THR 193 N 0.11 0.95 0.00 1.00 1.35 -1.12 -3.47 112.91 111.72 3gas h THR 193 Ca 0.06 -2.27 0.00 0.00 -0.55 0.00 0.00 66.41 63.64 3gas h THR 193 Cb 0.37 2.42 0.00 0.00 -1.73 0.00 0.00 68.15 69.21 3gas h THR 193 CO 0.01 0.53 0.00 0.61 -0.25 0.00 0.00 175.52 176.42 3gas n GLY 194 N 1.14 2.32 2.36 5.82 0.00 -0.06 -4.67 105.19 112.09 3gas n GLY 194 Ca 0.02 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.03 3gas n GLY 194 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gas n GLY 195 N -1.24 0.37 3.99 -0.02 0.00 -0.92 -4.93 105.19 102.44 3gas n GLY 195 Ca 0.00 -0.06 -0.21 0.00 0.00 0.00 0.00 46.02 45.76 3gas n GLY 195 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gas s ALA 196 N -1.68 4.04 0.00 4.61 0.00 -1.26 -4.18 121.76 123.29 3gas s ALA 196 Ca 0.00 -1.50 0.00 0.00 0.00 0.00 0.00 51.96 50.46 3gas s ALA 196 Cb 0.00 -1.95 0.00 0.00 0.00 0.00 0.00 23.12 21.17 3gas s ALA 196 CO 0.00 -0.77 0.00 0.41 0.00 0.00 0.00 175.76 175.40 3gas n GLY 197 N -2.32 0.75 0.00 0.00 0.00 -1.26 -4.06 105.19 98.31 3gas n GLY 197 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 3gas n GLY 197 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gas n GLY 198 N -2.40 1.41 0.33 -0.02 0.00 -1.26 -4.98 105.19 98.27 3gas n GLY 198 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.04 3gas n GLY 198 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3gas h ILE 199 N 0.00 1.00 -0.48 -0.61 2.04 -1.79 -0.35 117.51 117.32 3gas h ILE 199 Ca 0.00 -0.33 -0.09 0.00 1.00 0.00 0.00 64.86 65.44 3gas h ILE 199 Cb 0.00 -0.04 -0.02 0.00 -0.74 0.00 0.00 36.82 36.02 3gas h ILE 199 CO 0.00 0.17 -0.06 0.11 0.00 0.00 0.00 178.15 178.37 3gas h LYS 200 N 0.95 0.85 0.08 2.37 1.57 -1.89 -2.47 116.57 118.02 3gas h LYS 200 Ca 0.40 -0.27 -0.00 0.00 -1.87 0.00 0.00 60.65 58.91 3gas h LYS 200 Cb 0.26 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.50 3gas h LYS 200 CO -0.20 0.89 -0.04 1.15 -0.57 0.00 0.00 179.45 180.68 3gas h THR 201 N 0.77 1.09 0.00 -0.16 2.02 -1.70 -3.12 112.91 111.81 3gas h THR 201 Ca 0.14 -0.59 0.00 0.00 0.77 0.00 0.00 66.41 66.73 3gas h THR 201 Cb 0.56 1.47 0.00 0.00 -1.74 0.00 0.00 68.15 68.44 3gas h THR 201 CO 0.03 0.15 0.00 0.16 0.37 0.00 0.00 175.52 176.23 3gas h ILE 202 N -0.37 0.00 -0.69 3.11 3.07 -1.03 -1.84 117.51 119.76 3gas h ILE 202 Ca -0.01 -0.30 0.00 0.00 1.55 0.00 0.00 64.86 66.10 3gas h ILE 202 Cb 0.32 1.26 -0.03 0.00 -0.27 0.00 0.00 36.82 38.10 3gas h ILE 202 CO 0.02 0.00 0.43 -0.09 -1.05 0.00 0.00 178.15 177.46 3gas h ARG 203 N 0.00 0.92 -5.37 0.16 2.43 -1.38 -3.45 114.38 107.69 3gas h ARG 203 Ca 0.00 -0.07 -0.69 0.00 -0.81 0.00 0.00 59.98 58.41 3gas h ARG 203 Cb 0.30 -0.20 -0.13 0.00 -0.42 0.00 0.00 29.97 29.52 3gas h ARG 203 CO 0.00 0.63 1.64 0.00 -1.51 0.00 0.00 179.97 180.73 3gas s ALA 204 N -5.74 3.52 0.00 2.80 0.00 -0.70 -5.05 121.76 116.59 3gas s ALA 204 Ca -0.10 -2.99 0.00 0.00 0.00 0.00 0.00 51.96 48.86 3gas s ALA 204 Cb 0.17 -4.37 0.00 0.00 0.00 0.00 0.00 23.12 18.93 3gas s ALA 204 CO 0.78 -3.10 0.00 1.04 0.00 0.00 0.00 175.76 174.48 3gas n GLN 206 N 7.19 0.00 0.00 0.00 1.13 -1.26 -5.05 117.38 119.39 3gas n GLN 206 Ca 0.39 0.00 0.11 0.00 -1.94 0.00 0.00 57.00 55.57 3gas n GLN 206 Cb 0.46 -0.02 0.51 0.00 0.11 0.00 0.00 30.24 31.30 3gas n GLN 206 CO 0.00 0.00 0.00 -0.40 -1.44 0.00 0.00 177.06 175.22 3gas n ASP 207 N 0.00 0.00 -4.85 1.08 5.75 -1.26 -4.74 116.55 112.53 3gas n ASP 207 Ca 0.00 0.42 -0.37 0.00 -0.01 0.00 0.00 54.79 54.83 3gas n ASP 207 Cb 0.01 -0.47 -0.06 0.00 -1.03 0.00 0.00 41.12 39.57 3gas n ASP 207 CO 0.00 0.00 0.00 -0.36 -0.11 0.00 0.00 177.20 176.73 3gas s PHE 208 N -2.94 3.68 0.01 2.11 0.08 -1.26 -0.96 117.98 118.71 3gas s PHE 208 Ca 0.13 0.90 0.04 0.00 0.12 0.00 0.00 56.93 58.12 3gas s PHE 208 Cb 0.15 -2.22 -0.01 0.00 -0.57 0.00 0.00 43.02 40.37 3gas s PHE 208 CO 0.42 0.62 -0.14 -1.01 -0.10 0.00 0.00 175.22 175.01 3gas s HIS 209 N -1.16 1.20 -0.07 0.36 3.76 0.10 -4.95 115.29 114.54 3gas s HIS 209 Ca 0.25 -0.28 -0.21 0.00 -0.15 0.00 0.00 55.06 54.68 3gas s HIS 209 Cb -0.16 -0.75 -0.04 0.00 1.11 0.00 0.00 32.58 32.75 3gas s HIS 209 CO 0.14 0.00 0.60 -1.17 -0.85 0.00 0.00 174.74 173.46 3gas s LEU 210 N -0.65 4.32 -0.12 0.89 2.96 -1.26 -1.65 118.68 123.17 3gas s LEU 210 Ca 0.04 1.05 0.00 0.00 -0.22 0.00 0.00 54.13 55.00 3gas s LEU 210 Cb -0.06 -2.92 0.02 0.00 0.50 0.00 0.00 46.19 43.73 3gas s LEU 210 CO 0.00 -0.04 -0.11 -0.63 -1.32 0.00 0.00 176.35 174.25 3gas s ILE 211 N 0.57 1.28 0.33 6.68 1.01 0.03 -0.93 121.20 130.17 3gas s ILE 211 Ca 0.32 -0.46 -0.26 0.00 0.00 0.00 0.00 60.65 60.25 3gas s ILE 211 Cb -0.17 -1.23 -0.09 0.00 0.01 0.00 0.00 42.46 40.98 3gas s ILE 211 CO 0.15 0.41 1.00 0.00 0.00 0.00 0.00 174.94 176.49 3gas s ALA 212 N 1.45 3.21 -0.26 9.38 0.00 0.19 -0.79 121.76 134.94 3gas s ALA 212 Ca 0.02 0.64 -0.07 0.00 0.00 0.00 0.00 51.96 52.54 3gas s ALA 212 Cb -0.13 -3.23 -0.01 0.00 0.00 0.00 0.00 23.12 19.74 3gas s ALA 212 CO -0.07 0.01 0.07 -0.51 0.00 0.00 0.00 175.76 175.26 3gas s LEU 213 N -2.09 3.56 -0.41 0.00 1.43 -0.25 -2.43 118.68 118.48 3gas s LEU 213 Ca 0.51 -0.40 -0.08 0.00 -1.03 0.00 0.00 54.13 53.14 3gas s LEU 213 Cb -0.22 -1.90 0.08 0.00 0.03 0.00 0.00 46.19 44.18 3gas s LEU 213 CO 0.28 -0.09 0.24 -1.81 0.23 0.00 0.00 176.35 175.19 3gas s ASP 214 N 1.57 5.54 0.27 2.29 1.01 0.59 -4.37 116.67 123.57 3gas s ASP 214 Ca 0.05 -1.56 -0.29 0.00 0.71 0.00 0.00 52.55 51.46 3gas s ASP 214 Cb -0.16 -1.95 -0.09 0.00 1.01 0.00 0.00 42.92 41.73 3gas s ASP 214 CO 0.03 -0.52 1.21 -0.36 0.21 0.00 0.00 175.17 175.73 3gas s PHE 215 N 1.38 3.34 0.00 4.23 0.08 -1.26 -0.80 117.98 124.95 3gas s PHE 215 Ca 0.03 1.50 0.00 0.00 0.12 0.00 0.00 56.93 58.59 3gas s PHE 215 Cb -0.23 -3.47 0.00 0.00 -0.57 0.00 0.00 43.02 38.75 3gas s PHE 215 CO 0.01 -1.24 0.00 1.63 -0.10 0.00 0.00 175.22 175.52 3gas n LYS 216 N 1.45 0.00 -2.11 0.44 5.02 0.34 -4.87 118.16 118.44 3gas n LYS 216 Ca 0.01 0.00 -0.41 0.00 -2.02 0.00 0.00 58.31 55.89 3gas n LYS 216 Cb 0.43 0.00 -0.02 0.00 -0.02 0.00 0.00 35.03 35.42 3gas n LYS 216 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 3gas s GLU 217 N 3.60 4.35 0.19 1.97 8.01 -1.26 -4.49 118.70 131.07 3gas s GLU 217 Ca 0.00 2.22 0.06 0.00 0.01 0.00 0.00 54.97 57.26 3gas s GLU 217 Cb 0.00 -3.08 -0.05 0.00 -4.31 0.00 0.00 34.13 26.69 3gas s GLU 217 CO 0.00 -0.21 -0.10 0.20 0.01 0.00 0.00 175.26 175.16 3gas s GLY 218 N -0.38 1.33 -0.04 -1.39 0.00 0.68 -0.79 107.32 106.74 3gas s GLY 218 Ca 0.50 -1.63 -0.00 0.00 0.00 0.00 0.00 44.72 43.59 3gas s GLY 218 CO 0.52 -1.69 0.01 -1.60 0.00 0.00 0.00 173.10 170.34 3gas s ARG 219 N -3.72 0.27 -0.10 2.90 6.06 0.16 -0.21 118.95 124.31 3gas s ARG 219 Ca 0.21 0.13 0.03 0.00 -2.50 0.00 0.00 55.73 53.60 3gas s ARG 219 Cb 0.02 -0.53 -0.01 0.00 0.06 0.00 0.00 34.95 34.49 3gas s ARG 219 CO 0.05 -0.18 -0.21 0.12 -2.50 0.00 0.00 175.30 172.58 3gas s PHE 220 N 1.29 2.62 -0.14 5.12 5.36 0.08 -1.02 117.98 131.29 3gas s PHE 220 Ca -0.06 -0.87 0.00 0.00 -0.96 0.00 0.00 56.93 55.04 3gas s PHE 220 Cb -0.13 -1.73 0.03 0.00 -0.34 0.00 0.00 43.02 40.84 3gas s PHE 220 CO -0.02 -0.32 -0.11 0.08 -1.46 0.00 0.00 175.22 173.39 3gas s VAL 221 N 0.25 1.36 -0.21 3.12 1.01 -0.39 -0.10 120.40 125.44 3gas s VAL 221 Ca -0.14 -0.55 0.03 0.00 0.00 0.00 0.00 61.98 61.33 3gas s VAL 221 Cb -0.17 -1.34 -0.02 0.00 0.00 0.00 0.00 36.38 34.85 3gas s VAL 221 CO 0.07 0.38 0.22 2.29 0.00 0.00 0.00 175.10 178.06 3gas n LYS 222 N 4.83 4.86 -3.74 2.72 2.85 -0.72 -2.19 118.16 126.78 3gas n LYS 222 Ca -0.15 -0.12 0.02 0.00 -1.05 0.00 0.00 58.31 57.01 3gas n LYS 222 Cb 0.50 -0.72 0.00 0.00 -0.65 0.00 0.00 35.03 34.15 3gas n LYS 222 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 177.40 177.55 3gas s GLY 223 N -1.14 -0.31 0.05 2.58 0.00 -1.24 -4.91 107.32 102.35 3gas s GLY 223 Ca 0.02 0.46 -0.31 0.00 0.00 0.00 0.00 44.72 44.89 3gas s GLY 223 CO 0.12 1.82 1.47 -1.36 0.00 0.00 0.00 173.10 175.15 3gas s PHE 224 N -2.29 2.84 -0.94 1.90 0.08 -1.26 -1.39 117.98 116.91 3gas s PHE 224 Ca 0.19 0.71 0.00 0.00 0.12 0.00 0.00 56.93 57.95 3gas s PHE 224 Cb 0.03 -3.76 0.00 0.00 -0.57 0.00 0.00 43.02 38.72 3gas s PHE 224 CO -0.03 -2.85 0.00 0.41 -0.10 0.00 0.00 175.22 172.65 3gas n GLY 225 N 3.71 0.55 2.24 4.36 0.00 -1.26 -4.94 105.19 109.85 3gas n GLY 225 Ca 0.13 -0.53 -0.23 0.00 0.00 0.00 0.00 46.02 45.39 3gas n GLY 225 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3gas n GLN 226 N -2.33 1.07 -4.47 1.61 6.02 -0.49 -4.87 117.38 113.92 3gas n GLN 226 Ca -0.11 -3.48 -0.34 0.00 -0.01 0.00 0.00 57.00 53.06 3gas n GLN 226 Cb 0.46 -1.46 -0.10 0.00 1.02 0.00 0.00 30.24 30.16 3gas n GLN 226 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3gas s ALA 227 N -1.63 3.14 0.03 -1.58 0.00 -1.26 -1.75 121.76 118.71 3gas s ALA 227 Ca 0.37 -0.88 0.03 0.00 0.00 0.00 0.00 51.96 51.48 3gas s ALA 227 Cb 0.20 -1.33 -0.02 0.00 0.00 0.00 0.00 23.12 21.97 3gas s ALA 227 CO -0.09 0.59 -0.09 0.71 0.00 0.00 0.00 175.76 176.88 3gas s TYR 228 N -0.89 0.78 -0.07 0.00 2.02 0.86 -1.28 117.35 118.76 3gas s TYR 228 Ca 0.14 -0.32 -0.05 0.00 -0.37 0.00 0.00 57.07 56.47 3gas s TYR 228 Cb -0.11 -0.47 -0.04 0.00 -0.40 0.00 0.00 41.96 40.94 3gas s TYR 228 CO 0.03 -0.02 0.13 -0.51 -1.57 0.00 0.00 175.55 173.61 3gas s ASP 229 N -0.97 6.20 -0.00 2.29 1.01 0.20 -0.74 116.67 124.66 3gas s ASP 229 Ca -0.03 0.37 0.03 0.00 0.71 0.00 0.00 52.55 53.64 3gas s ASP 229 Cb -0.07 -1.95 -0.01 0.00 1.01 0.00 0.00 42.92 41.90 3gas s ASP 229 CO 0.00 0.35 -0.11 -0.63 0.21 0.00 0.00 175.17 175.00 3gas s ILE 230 N -1.12 0.87 -0.26 0.77 1.01 0.71 -1.33 121.20 121.85 3gas s ILE 230 Ca 0.19 -0.51 -0.03 0.00 0.00 0.00 0.00 60.65 60.31 3gas s ILE 230 Cb -0.12 -0.73 0.15 0.00 0.01 0.00 0.00 42.46 41.77 3gas s ILE 230 CO 0.09 0.21 0.46 -0.22 0.00 0.00 0.00 174.94 175.48 3gas s LEU 231 N -0.34 -0.89 0.00 2.97 2.96 -0.05 -0.23 118.68 123.11 3gas s LEU 231 Ca 0.04 0.50 0.00 0.00 -0.22 0.00 0.00 54.13 54.45 3gas s LEU 231 Cb -0.05 1.49 0.00 0.00 0.50 0.00 0.00 46.19 48.14 3gas s LEU 231 CO -0.00 -0.28 0.00 0.61 -1.32 0.00 0.00 176.35 175.36 3gas n GLY 232 N 5.39 2.93 0.73 7.98 0.00 -1.26 -1.21 105.19 119.75 3gas n GLY 232 Ca -0.03 -0.27 0.05 0.00 0.00 0.00 0.00 46.02 45.77 3gas n GLY 232 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3gas n ASP 233 N 4.24 2.09 -4.65 1.61 5.75 -1.26 -4.86 116.55 119.47 3gas n ASP 233 Ca 0.00 -2.07 -0.35 0.00 -0.01 0.00 0.00 54.79 52.36 3gas n ASP 233 Cb 0.00 -0.29 -0.10 0.00 -1.03 0.00 0.00 41.12 39.70 3gas n ASP 233 CO 0.00 0.00 0.00 -0.75 -0.11 0.00 0.00 177.20 176.34 3gas s LYS 234 N -1.58 3.55 -0.00 0.11 2.47 -0.35 -5.10 119.74 118.84 3gas s LYS 234 Ca 0.24 -0.38 0.02 0.00 -1.56 0.00 0.00 55.97 54.29 3gas s LYS 234 Cb 0.13 -3.02 -0.00 0.00 -1.46 0.00 0.00 37.83 33.48 3gas s LYS 234 CO 0.15 0.46 -0.05 -1.50 0.16 0.00 0.00 175.35 174.56 3gas s ILE 235 N -0.17 0.42 -0.03 5.43 2.07 -1.26 -0.87 121.20 126.78 3gas s ILE 235 Ca 0.06 -0.25 -0.08 0.00 -1.41 0.00 0.00 60.65 58.97 3gas s ILE 235 Cb -0.12 -0.36 0.01 0.00 0.13 0.00 0.00 42.46 42.12 3gas s ILE 235 CO 0.02 0.10 0.19 0.00 -1.91 0.00 0.00 174.94 173.34 3gas s ALA 236 N -0.16 -0.48 0.22 1.50 0.00 -0.44 -4.99 121.76 117.41 3gas s ALA 236 Ca 0.02 0.23 -0.30 0.00 0.00 0.00 0.00 51.96 51.91 3gas s ALA 236 Cb -0.02 -0.08 -0.09 0.00 0.00 0.00 0.00 23.12 22.93 3gas s ALA 236 CO -0.00 -0.17 1.24 -0.47 0.00 0.00 0.00 175.76 176.36 3gas s TYR 237 N -0.77 3.34 -0.35 0.00 5.04 -1.26 -0.63 117.35 122.72 3gas s TYR 237 Ca -0.09 1.38 0.23 0.00 -2.44 0.00 0.00 57.07 56.15 3gas s TYR 237 Cb -0.05 -3.51 0.05 0.00 0.35 0.00 0.00 41.96 38.81 3gas s TYR 237 CO 0.01 -1.46 1.07 0.28 -1.34 0.00 0.00 175.55 174.11 3gas n VAL 238 N 2.24 0.49 -1.01 3.14 0.31 -0.41 -4.53 118.33 118.55 3gas n VAL 238 Ca 0.04 -0.46 -0.24 0.00 -0.01 0.00 0.00 64.34 63.67 3gas n VAL 238 Cb 0.44 -0.22 0.09 0.00 -0.91 0.00 0.00 33.84 33.24 3gas n VAL 238 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3gas n GLY 239 N 1.24 4.74 0.14 2.92 0.00 -1.26 -4.68 105.19 108.28 3gas n GLY 239 Ca 0.01 -1.49 -0.07 0.00 0.00 0.00 0.00 46.02 44.47 3gas n GLY 239 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3gas h ASP 240 N 1.45 -0.06 0.00 1.61 3.45 -1.98 -1.75 116.42 119.14 3gas h ASP 240 Ca 0.48 0.06 0.00 0.00 0.43 0.00 0.00 57.03 58.00 3gas h ASP 240 Cb 1.38 0.10 0.00 0.00 -0.56 0.00 0.00 39.33 40.24 3gas h ASP 240 CO 1.12 0.00 0.00 0.29 -1.57 0.00 0.00 179.24 179.08 3gas n LYS 241 N -5.13 0.68 -0.42 3.56 5.02 -1.26 -4.98 118.16 115.62 3gas n LYS 241 Ca 0.00 0.00 0.06 0.00 -2.02 0.00 0.00 58.31 56.35 3gas n LYS 241 Cb 0.15 -1.07 -0.01 0.00 -0.02 0.00 0.00 35.03 34.07 3gas n LYS 241 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3gas n GLY 242 N 0.17 -1.83 2.52 0.72 0.00 -0.66 -4.81 105.19 101.30 3gas n GLY 242 Ca 0.00 -1.28 -0.46 0.00 0.00 0.00 0.00 46.02 44.27 3gas n GLY 242 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3gas n ASN 243 N -1.95 0.63 -0.20 1.61 2.85 -0.62 -4.83 115.26 112.76 3gas n ASN 243 Ca 0.00 0.58 0.12 0.00 -0.11 0.00 0.00 54.58 55.18 3gas n ASN 243 Cb 0.19 -0.68 0.20 0.00 1.24 0.00 0.00 39.78 40.74 3gas n ASN 243 CO 0.00 0.00 0.00 -0.81 -2.11 0.00 0.00 177.26 174.34 3gas n PRO 244 N 5.15 0.58 -1.22 1.20 -0.04 -1.26 -4.60 135.00 134.82 3gas n PRO 244 Ca 0.38 -0.40 -0.29 0.00 -0.04 0.00 0.00 63.50 63.15 3gas n PRO 244 Cb -0.03 -1.49 0.17 0.00 -0.04 0.00 0.00 33.50 32.11 3gas n PRO 244 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 3gas s HIS 245 N -2.69 2.16 -1.70 0.54 3.76 -1.26 -3.24 115.29 112.85 3gas s HIS 245 Ca 0.18 0.98 0.00 0.00 -0.15 0.00 0.00 55.06 56.07 3gas s HIS 245 Cb 0.18 -3.27 0.00 0.00 1.11 0.00 0.00 32.58 30.60 3gas s HIS 245 CO 0.62 -2.82 0.00 0.09 -0.85 0.00 0.00 174.74 171.79 3gas n ASN 246 N -4.12 -5.05 -3.65 1.40 5.03 -1.26 -2.16 115.26 105.45 3gas n ASN 246 Ca 0.05 0.29 -0.26 0.00 0.87 0.00 0.00 54.58 55.54 3gas n ASN 246 Cb 0.57 -4.08 0.06 0.00 -1.02 0.00 0.00 39.78 35.32 3gas n ASN 246 CO 0.00 0.00 0.00 0.49 -1.83 0.00 0.00 177.26 175.92 3gas n PHE 247 N -2.97 -2.69 -0.28 3.10 3.72 -1.24 -4.97 117.46 112.12 3gas n PHE 247 Ca -0.18 0.96 -0.02 0.00 -0.05 0.00 0.00 57.45 58.16 3gas n PHE 247 Cb 0.59 -4.73 0.02 0.00 -0.94 0.00 0.00 39.48 34.42 3gas n PHE 247 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3gas n ALA 248 N -4.85 -0.24 -0.24 4.37 0.00 -0.92 -5.13 120.51 113.51 3gas n ALA 248 Ca 0.01 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.36 3gas n ALA 248 Cb 0.55 -0.01 0.00 0.00 0.00 0.00 0.00 19.45 20.00 3gas n ALA 248 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22