#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gas h ARG 4 N 0.00 0.32 -0.13 -3.83 2.47 -2.05 -0.80 114.38 110.36 3gas h ARG 4 Ca 0.00 -0.11 -0.04 0.00 -1.26 0.00 0.00 59.98 58.57 3gas h ARG 4 Cb 0.00 -0.02 -0.00 0.00 -1.65 0.00 0.00 29.97 28.29 3gas h ARG 4 CO 0.00 0.56 -0.07 0.82 0.56 0.00 0.00 179.97 181.84 3gas h ILE 5 N 0.29 1.32 -0.25 2.04 2.04 -2.02 -0.79 117.51 120.13 3gas h ILE 5 Ca 0.04 -1.11 0.04 0.00 1.00 0.00 0.00 64.86 64.83 3gas h ILE 5 Cb 0.61 1.77 -0.03 0.00 -0.74 0.00 0.00 36.82 38.43 3gas h ILE 5 CO 0.04 0.32 0.03 0.40 0.00 0.00 0.00 178.15 178.95 3gas h ILE 6 N -0.06 0.86 -0.33 -0.67 2.04 -1.85 -2.51 117.51 115.00 3gas h ILE 6 Ca 0.03 -0.04 0.06 0.00 1.00 0.00 0.00 64.86 65.91 3gas h ILE 6 Cb 0.54 0.73 -0.05 0.00 -0.74 0.00 0.00 36.82 37.30 3gas h ILE 6 CO 0.02 0.02 0.01 -0.33 0.00 0.00 0.00 178.15 177.87 3gas h GLU 7 N 0.12 0.10 0.00 2.37 5.08 -1.06 0.30 114.58 121.49 3gas h GLU 7 Ca 0.11 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.47 3gas h GLU 7 Cb 0.13 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.36 3gas h GLU 7 CO -0.17 0.06 0.00 1.58 -1.00 0.00 0.00 179.01 179.49 3gas n HIS 8 N -5.17 0.00 0.00 4.33 -0.00 -0.31 -1.42 115.22 112.65 3gas n HIS 8 Ca 0.01 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.19 3gas n HIS 8 Cb 0.17 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.04 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 0.29 0.00 -0.04 0.26 3.02 0.09 -0.78 115.26 118.11 3gas n ASN 10 Ca 0.00 0.00 -0.21 0.00 -0.03 0.00 0.00 54.58 54.34 3gas n ASN 10 Cb 0.00 0.00 -0.13 0.00 -0.61 0.00 0.00 39.78 39.04 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 1.01 0.17 5.41 0.00 -0.51 -4.65 120.51 121.94 3gas n ALA 11 Ca 0.00 -0.71 0.02 0.00 0.00 0.00 0.00 53.44 52.75 3gas n ALA 11 Cb 0.00 -0.53 0.02 0.00 0.00 0.00 0.00 19.45 18.94 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 -3.52 0.00 -2.22 0.00 8.25 0.04 -4.78 115.22 112.99 3gas n HIS 12 Ca -0.36 0.00 0.04 0.00 -0.26 0.00 0.00 57.72 57.15 3gas n HIS 12 Cb 1.01 0.00 0.06 0.00 1.12 0.00 0.00 29.99 32.18 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 0.21 0.00 -0.09 4.41 8.25 -1.26 -4.85 115.22 121.89 3gas n HIS 13 Ca 0.02 -0.70 -0.09 0.00 -0.26 0.00 0.00 57.72 56.70 3gas n HIS 13 Cb 0.10 -0.16 -0.01 0.00 1.12 0.00 0.00 29.99 31.03 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 5.47 1.06 -0.45 1.59 2.07 -1.86 -2.52 116.25 121.61 3gas h VAL 14 Ca -0.15 -0.14 -0.10 0.00 0.82 0.00 0.00 66.70 67.13 3gas h VAL 14 Cb 1.63 0.63 -0.02 0.00 -1.52 0.00 0.00 31.29 32.01 3gas h VAL 14 CO 0.07 0.07 -0.11 -0.33 0.02 0.00 0.00 177.57 177.29 3gas h GLU 15 N 0.40 0.82 -1.56 1.57 4.39 -1.98 -1.50 114.58 116.72 3gas h GLU 15 Ca 0.11 -0.27 0.00 0.00 0.34 0.00 0.00 59.36 59.54 3gas h GLU 15 Cb -0.03 -0.07 0.00 0.00 -0.10 0.00 0.00 28.75 28.55 3gas h GLU 15 CO -0.03 0.89 0.00 -0.25 -1.16 0.00 0.00 179.01 178.45 3gas n ASP 16 N -4.16 0.45 0.00 1.42 8.00 -0.95 -1.03 116.55 120.28 3gas n ASP 16 Ca 0.01 -0.33 0.00 0.00 0.71 0.00 0.00 54.79 55.18 3gas n ASP 16 Cb 0.37 -0.08 0.00 0.00 -0.02 0.00 0.00 41.12 41.39 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 0.83 0.00 -0.31 -1.24 5.02 -0.56 -0.23 118.16 121.67 3gas n LYS 18 Ca 0.00 0.00 -0.03 0.00 -2.02 0.00 0.00 58.31 56.26 3gas n LYS 18 Cb 0.08 0.00 0.11 0.00 -0.02 0.00 0.00 35.03 35.20 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 1.29 1.06 0.72 0.00 -1.35 -1.62 103.07 103.18 3gas h GLY 19 Ca 0.00 -0.58 -0.10 0.00 0.00 0.00 0.00 47.33 46.65 3gas h GLY 19 CO 0.00 0.56 -0.03 1.41 0.00 0.00 0.00 176.54 178.48 3gas h LEU 20 N 1.22 0.98 -0.69 3.11 3.38 -0.87 0.83 115.31 123.27 3gas h LEU 20 Ca 0.31 -0.32 0.02 0.00 0.09 0.00 0.00 57.88 57.98 3gas h LEU 20 Cb 0.03 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.47 3gas h LEU 20 CO -0.05 1.07 0.43 -0.07 0.09 0.00 0.00 178.44 179.91 3gas h LEU 21 N 0.88 0.72 -0.00 1.67 3.38 -1.70 0.06 115.31 120.32 3gas h LEU 21 Ca 0.15 -0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.12 3gas h LEU 21 Cb 0.58 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 41.17 3gas h LEU 21 CO 0.03 0.51 -0.01 0.50 0.09 0.00 0.00 178.44 179.56 3gas h LYS 22 N 0.86 0.01 0.28 1.13 3.64 -1.08 -0.39 116.57 121.03 3gas h LYS 22 Ca 0.27 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.63 3gas h LYS 22 Cb -0.01 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.81 3gas h LYS 22 CO -0.09 0.56 -0.13 -0.22 -2.27 0.00 0.00 179.45 177.29 3gas h LYS 23 N -0.53 -0.36 0.00 1.90 3.64 -0.68 -1.29 116.57 119.26 3gas h LYS 23 Ca 0.00 0.02 -0.21 0.00 -1.27 0.00 0.00 60.65 59.20 3gas h LYS 23 Cb 0.56 0.08 -0.04 0.00 -0.41 0.00 0.00 32.23 32.42 3gas h LYS 23 CO 0.00 -0.19 -1.53 1.19 -2.27 0.00 0.00 179.45 176.66 3gas n PHE 24 N -5.22 0.96 0.52 1.91 3.72 -0.01 -1.59 117.46 117.76 3gas n PHE 24 Ca -0.10 0.33 0.06 0.00 -0.05 0.00 0.00 57.45 57.69 3gas n PHE 24 Cb 0.19 -1.11 -0.03 0.00 -0.94 0.00 0.00 39.48 37.59 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 -0.09 2.85 1.37 0.00 -0.25 -4.88 105.19 105.64 3gas n GLY 25 Ca -0.12 -0.33 -0.21 0.00 0.00 0.00 0.00 46.02 45.36 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 -0.66 -3.73 -3.38 1.61 1.13 -0.49 -4.95 117.38 106.92 3gas n GLN 26 Ca 0.04 0.87 -0.41 0.00 -1.94 0.00 0.00 57.00 55.56 3gas n GLN 26 Cb 0.21 -5.65 -0.09 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 -3.08 5.15 -0.17 5.09 1.01 -0.62 -4.94 120.40 122.83 3gas s VAL 27 Ca 0.21 0.05 0.10 0.00 0.00 0.00 0.00 61.98 62.35 3gas s VAL 27 Cb -0.10 -3.85 -0.14 0.00 0.00 0.00 0.00 36.38 32.29 3gas s VAL 27 CO 0.26 -0.12 0.29 1.41 0.00 0.00 0.00 175.10 176.94 3gas n HIS 28 N 5.43 0.00 -2.53 5.22 8.25 -1.26 -2.66 115.22 127.67 3gas n HIS 28 Ca -0.09 0.00 -0.14 0.00 -0.26 0.00 0.00 57.72 57.24 3gas n HIS 28 Cb 0.49 -0.16 0.03 0.00 1.12 0.00 0.00 29.99 31.47 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 -1.65 2.03 -2.72 4.41 8.25 -1.26 -5.06 115.22 119.22 3gas n HIS 29 Ca -0.01 -2.55 -0.35 0.00 -0.26 0.00 0.00 57.72 54.56 3gas n HIS 29 Cb 0.23 -0.26 -0.06 0.00 1.12 0.00 0.00 29.99 31.02 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 -3.52 3.07 0.40 -1.41 0.00 -1.26 -5.05 121.76 113.99 3gas s ALA 30 Ca 0.37 0.52 0.07 0.00 0.00 0.00 0.00 51.96 52.92 3gas s ALA 30 Cb 0.40 -3.20 -0.08 0.00 0.00 0.00 0.00 23.12 20.24 3gas s ALA 30 CO -0.03 0.01 0.02 -1.21 0.00 0.00 0.00 175.76 174.54 3gas s GLU 31 N -2.76 1.91 -1.51 0.00 2.02 -1.26 -4.79 118.70 112.31 3gas s GLU 31 Ca 0.59 -2.08 -0.11 0.00 0.02 0.00 0.00 54.97 53.39 3gas s GLU 31 Cb -0.15 -1.53 0.08 0.00 0.10 0.00 0.00 34.13 32.63 3gas s GLU 31 CO 0.20 -0.07 0.87 -1.71 0.02 0.00 0.00 175.26 174.57 3gas n ASN 32 N -0.92 -3.71 -4.70 -0.19 5.15 -1.26 0.40 115.26 110.03 3gas n ASN 32 Ca -0.05 -0.83 -0.42 0.00 -0.60 0.00 0.00 54.58 52.68 3gas n ASN 32 Cb 0.67 -3.70 -0.03 0.00 -0.53 0.00 0.00 39.78 36.19 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 -3.41 3.90 -0.01 3.44 1.01 -1.26 -4.10 120.40 119.98 3gas s VAL 33 Ca 0.52 1.30 -0.18 0.00 0.00 0.00 0.00 61.98 63.63 3gas s VAL 33 Cb -0.27 -3.84 0.03 0.00 0.00 0.00 0.00 36.38 32.31 3gas s VAL 33 CO 0.84 0.03 0.39 0.00 0.00 0.00 0.00 175.10 176.37 3gas s ALA 34 N 1.89 -0.99 -0.02 5.51 0.00 -0.66 -5.01 121.76 122.49 3gas s ALA 34 Ca 0.60 0.48 -0.30 0.00 0.00 0.00 0.00 51.96 52.75 3gas s ALA 34 Cb -0.30 0.11 -0.04 0.00 0.00 0.00 0.00 23.12 22.90 3gas s ALA 34 CO 0.26 -0.32 1.14 0.12 0.00 0.00 0.00 175.76 176.97 3gas s PHE 35 N -1.53 3.38 -0.27 0.00 5.36 -1.26 -0.73 117.98 122.93 3gas s PHE 35 Ca -0.12 1.37 -0.09 0.00 -0.96 0.00 0.00 56.93 57.13 3gas s PHE 35 Cb -0.03 -3.34 -0.13 0.00 -0.34 0.00 0.00 43.02 39.17 3gas s PHE 35 CO 0.04 -0.95 -0.31 1.17 -1.46 0.00 0.00 175.22 173.70 3gas n LYS 36 N 4.60 0.60 -3.57 10.12 4.81 -0.46 -4.85 118.16 129.41 3gas n LYS 36 Ca 0.09 0.22 -0.06 0.00 -0.87 0.00 0.00 58.31 57.69 3gas n LYS 36 Cb 0.47 -1.49 -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 -7.16 -0.27 0.01 3.14 1.04 -1.05 -4.98 113.70 104.43 3gas s SER 37 Ca -0.37 -0.07 0.01 0.00 0.48 0.00 0.00 55.95 56.00 3gas s SER 37 Cb 0.13 0.33 -0.01 0.00 0.10 0.00 0.00 66.02 66.58 3gas s SER 37 CO 0.52 -0.56 -0.04 0.54 0.98 0.00 0.00 173.24 174.67 3gas s VAL 38 N -2.95 0.29 0.26 5.02 0.11 -1.26 -0.14 120.40 121.73 3gas s VAL 38 Ca 0.08 -0.36 0.06 0.00 -2.93 0.00 0.00 61.98 58.83 3gas s VAL 38 Cb -0.01 -0.29 -0.02 0.00 -1.53 0.00 0.00 36.38 34.53 3gas s VAL 38 CO -0.06 -0.05 0.22 -0.90 -3.33 0.00 0.00 175.10 170.98 3gas n ASP 39 N 2.63 -0.53 0.14 3.54 5.68 0.39 -5.00 116.55 123.39 3gas n ASP 39 Ca -0.15 -2.72 0.16 0.00 -0.50 0.00 0.00 54.79 51.58 3gas n ASP 39 Cb 0.58 1.31 0.74 0.00 -1.14 0.00 0.00 41.12 42.60 3gas n ASP 39 CO 0.00 0.00 0.00 0.77 -1.33 0.00 0.00 177.20 176.64 3gas h SER 40 N 1.60 0.00 -0.01 -1.12 4.64 -1.98 -2.94 113.55 113.74 3gas h SER 40 Ca -0.18 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.14 3gas h SER 40 Cb 0.94 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.03 3gas h SER 40 CO 0.27 0.00 -0.37 0.00 -0.87 0.00 0.00 176.83 175.86 3gas n GLN 41 N -4.17 2.00 -3.29 4.77 6.02 -1.26 -0.48 117.38 120.97 3gas n GLN 41 Ca 0.04 -0.56 0.00 0.00 -0.01 0.00 0.00 57.00 56.46 3gas n GLN 41 Cb 0.38 -1.19 0.00 0.00 1.02 0.00 0.00 30.24 30.45 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 1.12 -1.40 3.42 1.08 0.00 -1.11 -0.96 105.19 107.34 3gas n GLY 42 Ca 0.05 -0.98 -0.21 0.00 0.00 0.00 0.00 46.02 44.87 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 -2.68 2.01 -0.08 -0.61 -4.36 -0.41 -0.46 121.20 114.60 3gas s ILE 43 Ca 0.00 -2.26 0.01 0.00 -0.26 0.00 0.00 60.65 58.14 3gas s ILE 43 Cb 0.00 -2.25 0.02 0.00 1.25 0.00 0.00 42.46 41.48 3gas s ILE 43 CO 0.00 -0.45 -0.09 -0.69 0.24 0.00 0.00 174.94 173.95 3gas s VAL 44 N -2.80 0.98 -0.18 8.37 1.01 0.80 -1.23 120.40 127.35 3gas s VAL 44 Ca 0.27 -0.33 -0.06 0.00 0.00 0.00 0.00 61.98 61.86 3gas s VAL 44 Cb -0.01 -0.95 -0.03 0.00 0.00 0.00 0.00 36.38 35.38 3gas s VAL 44 CO 0.11 0.34 0.02 -0.63 0.00 0.00 0.00 175.10 174.94 3gas s ILE 45 N 1.17 4.39 0.09 2.22 1.01 -0.13 -1.35 121.20 128.60 3gas s ILE 45 Ca -0.06 -0.17 -0.02 0.00 0.00 0.00 0.00 60.65 60.40 3gas s ILE 45 Cb -0.14 -2.97 -0.05 0.00 0.01 0.00 0.00 42.46 39.32 3gas s ILE 45 CO -0.02 0.46 0.27 -0.83 0.00 0.00 0.00 174.94 174.82 3gas s GLY 46 N 0.48 2.21 0.20 6.18 0.00 0.09 -0.82 107.32 115.67 3gas s GLY 46 Ca 0.01 -0.73 -0.17 0.00 0.00 0.00 0.00 44.72 43.82 3gas s GLY 46 CO 0.02 -0.69 0.52 -2.52 0.00 0.00 0.00 173.10 170.43 3gas s TYR 47 N -1.56 -0.07 0.00 1.90 -0.85 0.18 -1.65 117.35 115.30 3gas s TYR 47 Ca 0.37 -0.28 0.00 0.00 -0.52 0.00 0.00 57.07 56.64 3gas s TYR 47 Cb -0.13 0.38 0.00 0.00 0.38 0.00 0.00 41.96 42.59 3gas s TYR 47 CO 0.27 -0.93 0.00 0.09 -1.52 0.00 0.00 175.55 173.45 3gas n ASN 48 N -0.35 -0.37 -0.05 -0.18 3.02 0.16 -2.20 115.26 115.29 3gas n ASN 48 Ca -0.09 0.00 -0.13 0.00 -0.03 0.00 0.00 54.58 54.33 3gas n ASN 48 Cb 0.62 0.00 -0.08 0.00 -0.61 0.00 0.00 39.78 39.72 3gas n ASN 48 CO 0.00 0.00 0.00 -1.13 -2.62 0.00 0.00 177.26 173.51 3gas h ASN 49 N 4.39 0.35 -0.02 6.41 -0.73 -1.94 -3.42 115.58 120.63 3gas h ASN 49 Ca 0.00 -0.50 -0.15 0.00 1.87 0.00 0.00 56.30 57.51 3gas h ASN 49 Cb 0.00 -0.10 -0.21 0.00 0.27 0.00 0.00 38.32 38.28 3gas h ASN 49 CO 0.00 0.79 -0.53 0.59 -0.37 0.00 0.00 177.43 177.91 3gas n ASN 50 N -4.56 -0.39 -4.75 1.15 3.02 -1.25 -5.14 115.26 103.34 3gas n ASN 50 Ca -0.07 -2.02 -0.22 0.00 -0.03 0.00 0.00 54.58 52.24 3gas n ASN 50 Cb 0.37 0.14 -0.06 0.00 -0.61 0.00 0.00 39.78 39.63 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 -0.16 2.60 0.14 3.52 -0.21 -0.94 -5.00 119.66 119.61 3gas s GLN 51 Ca 0.11 -1.28 -0.09 0.00 0.02 0.00 0.00 55.36 54.12 3gas s GLN 51 Cb 0.16 -2.36 -0.00 0.00 1.00 0.00 0.00 33.01 31.81 3gas s GLN 51 CO -0.06 0.31 0.27 0.95 -2.12 0.00 0.00 175.29 174.64 3gas s THR 52 N -2.26 0.09 -0.08 -0.19 -4.23 -1.26 -0.65 115.64 107.06 3gas s THR 52 Ca 0.34 -1.26 0.00 0.00 -1.18 0.00 0.00 61.69 59.59 3gas s THR 52 Cb -0.06 -1.63 0.02 0.00 1.34 0.00 0.00 72.50 72.17 3gas s THR 52 CO 0.23 -0.41 -0.06 -0.22 -0.54 0.00 0.00 174.62 173.62 3gas s LEU 53 N -2.92 1.20 -0.10 4.79 2.96 0.00 -4.96 118.68 119.65 3gas s LEU 53 Ca 0.12 -0.22 -0.10 0.00 -0.22 0.00 0.00 54.13 53.71 3gas s LEU 53 Cb 0.04 -0.67 -0.05 0.00 0.50 0.00 0.00 46.19 46.01 3gas s LEU 53 CO -0.04 -0.09 0.23 -0.60 -1.32 0.00 0.00 176.35 174.53 3gas s ARG 54 N 1.36 3.72 -0.15 1.98 3.52 -1.26 -0.95 118.95 127.17 3gas s ARG 54 Ca -0.03 0.03 -0.01 0.00 -0.13 0.00 0.00 55.73 55.60 3gas s ARG 54 Cb -0.14 -3.24 0.04 0.00 -1.56 0.00 0.00 34.95 30.05 3gas s ARG 54 CO -0.03 0.66 -0.05 0.42 -0.81 0.00 0.00 175.30 175.49 3gas s ILE 55 N -0.76 1.01 0.41 4.11 1.01 -0.37 -5.00 121.20 121.61 3gas s ILE 55 Ca 0.17 -0.51 -0.22 0.00 0.00 0.00 0.00 60.65 60.08 3gas s ILE 55 Cb -0.13 -1.18 -0.10 0.00 0.01 0.00 0.00 42.46 41.06 3gas s ILE 55 CO 0.06 0.16 0.97 -1.61 0.00 0.00 0.00 174.94 174.52 3gas s GLU 56 N 1.68 4.24 0.68 2.79 2.02 -1.26 -1.29 118.70 127.56 3gas s GLU 56 Ca 0.02 1.23 -0.11 0.00 0.02 0.00 0.00 54.97 56.13 3gas s GLU 56 Cb -0.15 -2.33 0.00 0.00 0.10 0.00 0.00 34.13 31.76 3gas s GLU 56 CO -0.08 -0.03 1.06 -0.06 0.02 0.00 0.00 175.26 176.17 3gas s PHE 57 N -1.99 3.16 -2.05 1.61 0.08 -0.14 -4.92 117.98 113.73 3gas s PHE 57 Ca 0.60 1.41 0.20 0.00 0.12 0.00 0.00 56.93 59.26 3gas s PHE 57 Cb -0.13 -2.87 1.10 0.00 -0.57 0.00 0.00 43.02 40.55 3gas s PHE 57 CO 0.17 -1.17 1.72 0.27 -0.10 0.00 0.00 175.22 176.11 3gas n ASN 58 N -3.04 0.26 -3.45 1.36 0.23 -1.26 -4.82 115.26 104.54 3gas n ASN 58 Ca 0.07 -1.44 -0.13 0.00 -0.53 0.00 0.00 54.58 52.55 3gas n ASN 58 Cb 0.54 -0.02 -0.03 0.00 -2.08 0.00 0.00 39.78 38.19 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 -1.97 -0.55 0.10 -2.53 -3.43 -1.26 -4.30 115.29 101.34 3gas s HIS 59 Ca 0.30 0.49 -0.30 0.00 -0.80 0.00 0.00 55.06 54.75 3gas s HIS 59 Cb 0.14 0.51 -0.06 0.00 -1.43 0.00 0.00 32.58 31.74 3gas s HIS 59 CO 0.23 -0.79 1.06 -2.00 -2.00 0.00 0.00 174.74 171.25 3gas s GLU 60 N -3.16 4.58 -0.62 -0.38 2.12 -1.26 -4.85 118.70 115.13 3gas s GLU 60 Ca -0.02 1.60 -0.19 0.00 0.36 0.00 0.00 54.97 56.73 3gas s GLU 60 Cb -0.01 -3.35 0.11 0.00 0.26 0.00 0.00 34.13 31.14 3gas s GLU 60 CO -0.08 0.02 0.73 0.08 -0.54 0.00 0.00 175.26 175.47 3gas s VAL 61 N 0.34 4.84 0.13 3.70 1.01 0.37 -4.95 120.40 125.84 3gas s VAL 61 Ca 0.51 -1.08 -0.19 0.00 0.00 0.00 0.00 61.98 61.23 3gas s VAL 61 Cb -0.26 -4.51 -0.05 0.00 0.00 0.00 0.00 36.38 31.56 3gas s VAL 61 CO 0.31 -1.15 1.78 0.11 0.00 0.00 0.00 175.10 176.15 3gas h LYS 62 N 9.12 0.28 -4.92 2.72 1.79 -1.94 -3.42 116.57 120.20 3gas h LYS 62 Ca -0.26 -0.02 -0.64 0.00 -2.18 0.00 0.00 60.65 57.55 3gas h LYS 62 Cb 1.08 -0.06 -0.19 0.00 -1.58 0.00 0.00 32.23 31.48 3gas h LYS 62 CO 1.09 0.19 -0.56 0.34 -1.08 0.00 0.00 179.45 179.43 3gas s ASP 63 N -5.39 5.67 0.66 0.86 -1.08 -1.26 -4.96 116.67 111.17 3gas s ASP 63 Ca -0.13 -0.09 0.22 0.00 -0.52 0.00 0.00 52.55 52.03 3gas s ASP 63 Cb 0.09 -2.04 1.18 0.00 -1.46 0.00 0.00 42.92 40.68 3gas s ASP 63 CO 0.70 -0.04 1.66 -0.65 0.52 0.00 0.00 175.17 177.36 3gas h PRO 64 N 8.31 0.00 0.00 4.34 0.11 -2.02 0.24 132.00 142.98 3gas h PRO 64 Ca -0.36 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.75 3gas h PRO 64 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 3gas h PRO 64 CO 0.56 0.00 0.00 0.36 -0.21 0.00 0.00 178.00 178.71 3gas n LYS 65 N -2.85 0.21 -0.09 1.05 2.85 -1.26 -2.27 118.16 115.81 3gas n LYS 65 Ca -0.00 0.42 0.12 0.00 -1.05 0.00 0.00 58.31 57.80 3gas n LYS 65 Cb 0.59 -1.89 0.17 0.00 -0.65 0.00 0.00 35.03 33.25 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 -2.29 3.17 -0.24 -5.58 8.00 0.84 -4.47 116.55 115.98 3gas n ASP 66 Ca 0.02 -1.98 -0.05 0.00 0.71 0.00 0.00 54.79 53.49 3gas n ASP 66 Cb 0.25 -0.12 0.05 0.00 -0.02 0.00 0.00 41.12 41.28 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 4.51 0.84 0.05 1.24 0.05 -1.57 -1.58 116.97 120.51 3gas h TYR 67 Ca 0.00 0.02 0.01 0.00 0.05 0.00 0.00 58.73 58.80 3gas h TYR 67 Cb 0.98 -0.28 -0.01 0.00 1.01 0.00 0.00 36.73 38.42 3gas h TYR 67 CO 0.12 0.54 -0.07 -0.22 -1.05 0.00 0.00 178.16 177.48 3gas h LYS 68 N 0.90 -0.15 -0.42 4.88 3.64 -1.80 -0.38 116.57 123.24 3gas h LYS 68 Ca 0.24 0.01 -0.08 0.00 -1.27 0.00 0.00 60.65 59.55 3gas h LYS 68 Cb -0.09 0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 31.75 3gas h LYS 68 CO -0.05 -0.10 -0.07 -0.91 -2.27 0.00 0.00 179.45 176.05 3gas h ASN 69 N -0.16 0.70 -0.55 4.20 2.35 -1.82 0.61 115.58 120.92 3gas h ASN 69 Ca 0.01 -0.19 -0.04 0.00 -0.55 0.00 0.00 56.30 55.53 3gas h ASN 69 Cb 0.16 -0.19 -0.02 0.00 0.05 0.00 0.00 38.32 38.32 3gas h ASN 69 CO -0.04 0.82 0.18 0.00 -1.65 0.00 0.00 177.43 176.74 3gas h ALA 70 N 1.26 0.71 -0.39 -0.83 0.00 -1.11 0.15 119.26 119.06 3gas h ALA 70 Ca 0.12 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 3gas h ALA 70 Cb 0.51 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 3gas h ALA 70 CO 0.03 0.37 0.15 1.15 0.00 0.00 0.00 179.25 180.95 3gas h THR 71 N 0.76 1.19 -0.51 0.00 2.02 -0.69 -0.84 112.91 114.83 3gas h THR 71 Ca 0.18 -0.60 -0.08 0.00 0.77 0.00 0.00 66.41 66.68 3gas h THR 71 Cb 0.26 0.86 -0.02 0.00 -1.74 0.00 0.00 68.15 67.51 3gas h THR 71 CO -0.01 0.22 0.01 0.40 0.37 0.00 0.00 175.52 176.51 3gas h ILE 72 N 0.48 1.25 -0.52 3.11 2.04 -0.62 -1.40 117.51 121.86 3gas h ILE 72 Ca 0.13 -1.03 0.00 0.00 1.00 0.00 0.00 64.86 64.96 3gas h ILE 72 Cb 0.19 0.85 -0.03 0.00 -0.74 0.00 0.00 36.82 37.09 3gas h ILE 72 CO -0.01 0.37 0.33 -0.08 0.00 0.00 0.00 178.15 178.76 3gas h GLU 73 N 0.80 0.69 -0.38 2.37 4.81 -0.31 0.11 114.58 122.67 3gas h GLU 73 Ca 0.15 -0.05 -0.04 0.00 -0.13 0.00 0.00 59.36 59.30 3gas h GLU 73 Cb 0.47 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 29.68 3gas h GLU 73 CO 0.02 0.47 0.09 1.25 -0.73 0.00 0.00 179.01 180.10 3gas h LEU 74 N 0.70 0.58 -0.52 1.64 5.85 -0.83 -1.44 115.31 121.29 3gas h LEU 74 Ca 0.19 -0.24 0.00 0.00 0.84 0.00 0.00 57.88 58.67 3gas h LEU 74 Cb -0.06 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 40.79 3gas h LEU 74 CO -0.04 0.67 0.33 0.00 -0.34 0.00 0.00 178.44 179.05 3gas h GLN 76 N 0.70 0.00 0.00 0.00 4.20 -0.62 -3.15 115.11 116.24 3gas h GLN 76 Ca 0.19 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.87 3gas h GLN 76 Cb -0.04 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.74 3gas h GLN 76 CO -0.04 0.00 -0.11 0.66 -0.67 0.00 0.00 178.83 178.67 3gas h SER 77 N 0.00 0.00 0.03 1.46 4.64 -0.79 -1.90 113.55 116.99 3gas h SER 77 Ca 0.00 0.00 0.01 0.00 -0.47 0.00 0.00 61.79 61.33 3gas h SER 77 Cb 0.49 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.56 3gas h SER 77 CO 0.00 0.11 -0.11 0.58 -0.87 0.00 0.00 176.83 176.54 3gas h VAL 78 N 0.00 0.73 0.06 0.95 2.07 -1.68 -1.49 116.25 116.89 3gas h VAL 78 Ca -0.00 0.00 -0.24 0.00 0.82 0.00 0.00 66.70 67.28 3gas h VAL 78 Cb 0.23 0.73 -0.01 0.00 -1.52 0.00 0.00 31.29 30.73 3gas h VAL 78 CO 0.01 0.00 -1.08 -0.33 0.02 0.00 0.00 177.57 176.20 3gas h GLU 79 N -0.20 0.21 0.00 1.57 4.39 -1.77 -3.24 114.58 115.54 3gas h GLU 79 Ca 0.03 -0.31 -0.02 0.00 0.34 0.00 0.00 59.36 59.41 3gas h GLU 79 Cb 0.24 0.11 -0.00 0.00 -0.10 0.00 0.00 28.75 28.99 3gas h GLU 79 CO -0.09 1.10 -0.07 0.87 -1.16 0.00 0.00 179.01 179.66 3gas h LYS 80 N 0.08 0.00 -0.22 2.33 1.57 -1.21 -1.66 116.57 117.46 3gas h LYS 80 Ca -0.08 0.00 0.02 0.00 -1.87 0.00 0.00 60.65 58.72 3gas h LYS 80 Cb 1.78 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 34.08 3gas h LYS 80 CO 0.17 0.07 0.15 1.15 -0.57 0.00 0.00 179.45 180.42 3gas h THR 81 N 0.00 0.99 -0.01 -0.16 2.02 -1.29 -2.42 112.91 112.04 3gas h THR 81 Ca -0.00 -0.07 0.00 0.00 0.77 0.00 0.00 66.41 67.11 3gas h THR 81 Cb 0.32 0.79 0.00 0.00 -1.74 0.00 0.00 68.15 67.51 3gas h THR 81 CO 0.01 0.03 -0.13 1.41 0.37 0.00 0.00 175.52 177.21 3gas n HIS 82 N -4.50 0.00 -2.48 3.16 8.25 -0.62 -4.64 115.22 114.39 3gas n HIS 82 Ca 0.01 0.00 -0.40 0.00 -0.26 0.00 0.00 57.72 57.07 3gas n HIS 82 Cb 0.16 -0.14 -0.02 0.00 1.12 0.00 0.00 29.99 31.11 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 -2.41 6.45 0.39 0.41 -1.08 -0.91 -4.79 116.67 114.72 3gas s ASP 83 Ca 0.29 -2.12 0.10 0.00 -0.52 0.00 0.00 52.55 50.31 3gas s ASP 83 Cb 0.20 -2.58 0.80 0.00 -1.46 0.00 0.00 42.92 39.88 3gas s ASP 83 CO 0.47 -1.57 1.91 -0.07 0.52 0.00 0.00 175.17 176.43 3gas h LEU 84 N 13.59 0.19 -0.74 -1.34 3.38 -1.87 -1.19 115.31 127.33 3gas h LEU 84 Ca 0.36 -0.04 -0.09 0.00 0.09 0.00 0.00 57.88 58.20 3gas h LEU 84 Cb 0.91 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.59 3gas h LEU 84 CO 1.41 0.36 -0.03 0.11 0.09 0.00 0.00 178.44 180.39 3gas h LYS 85 N 0.19 0.93 -0.53 1.13 1.79 -1.99 0.12 116.57 118.21 3gas h LYS 85 Ca 0.04 -0.29 -0.09 0.00 -2.18 0.00 0.00 60.65 58.13 3gas h LYS 85 Cb 0.39 -0.09 -0.02 0.00 -1.58 0.00 0.00 32.23 30.93 3gas h LYS 85 CO 0.02 0.94 -0.04 0.78 -1.08 0.00 0.00 179.45 180.08 3gas h GLY 86 N 0.99 1.01 1.42 3.86 0.00 -1.79 -1.93 103.07 106.62 3gas h GLY 86 Ca 0.15 -0.74 -0.14 0.00 0.00 0.00 0.00 47.33 46.61 3gas h GLY 86 CO 0.03 0.68 -0.39 -2.08 0.00 0.00 0.00 176.54 174.79 3gas h VAL 87 N 0.86 1.29 -0.93 4.60 2.07 -0.89 -0.66 116.25 122.58 3gas h VAL 87 Ca 0.15 -1.55 0.02 0.00 0.82 0.00 0.00 66.70 66.14 3gas h VAL 87 Cb 0.56 1.49 -0.05 0.00 -1.52 0.00 0.00 31.29 31.77 3gas h VAL 87 CO 0.03 0.50 0.61 -0.08 0.02 0.00 0.00 177.57 178.65 3gas h GLU 88 N 0.53 1.20 -0.60 1.57 4.81 -0.45 0.53 114.58 122.17 3gas h GLU 88 Ca 0.05 -0.07 -0.09 0.00 -0.13 0.00 0.00 59.36 59.11 3gas h GLU 88 Cb 0.90 -0.27 -0.02 0.00 0.63 0.00 0.00 28.75 29.99 3gas h GLU 88 CO 0.08 0.79 0.01 0.93 -0.73 0.00 0.00 179.01 180.09 3gas h GLU 89 N 1.23 1.05 -0.73 1.92 5.08 -0.98 -2.29 114.58 119.86 3gas h GLU 89 Ca 0.35 -0.33 -0.05 0.00 -1.00 0.00 0.00 59.36 58.34 3gas h GLU 89 Cb -0.09 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.03 3gas h GLU 89 CO -0.09 1.02 0.27 0.93 -1.00 0.00 0.00 179.01 180.14 3gas h GLU 90 N 0.95 1.11 -0.38 2.33 5.08 -0.01 -1.60 114.58 122.06 3gas h GLU 90 Ca 0.17 -0.22 -0.01 0.00 -1.00 0.00 0.00 59.36 58.30 3gas h GLU 90 Cb 0.54 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.60 3gas h GLU 90 CO 0.03 0.93 0.19 0.28 -1.00 0.00 0.00 179.01 179.44 3gas h VAL 91 N 1.07 1.16 -0.08 3.13 2.07 -0.80 0.22 116.25 123.02 3gas h VAL 91 Ca 0.24 -0.44 0.01 0.00 0.82 0.00 0.00 66.70 67.33 3gas h VAL 91 Cb 0.25 0.76 -0.01 0.00 -1.52 0.00 0.00 31.29 30.77 3gas h VAL 91 CO -0.02 0.17 0.03 0.50 0.02 0.00 0.00 177.57 178.28 3gas h LYS 92 N 0.48 0.07 -0.40 1.57 3.64 -1.23 -1.73 116.57 118.97 3gas h LYS 92 Ca 0.13 -0.00 -0.11 0.00 -1.27 0.00 0.00 60.65 59.40 3gas h LYS 92 Cb 0.09 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 31.88 3gas h LYS 92 CO -0.02 0.05 -0.18 0.00 -2.27 0.00 0.00 179.45 177.03 3gas h ALA 93 N 1.05 0.93 -0.13 5.00 0.00 -1.11 -2.53 119.26 122.47 3gas h ALA 93 Ca 0.03 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.59 3gas h ALA 93 Cb 0.01 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 3gas h ALA 93 CO -0.03 0.61 0.08 0.35 0.00 0.00 0.00 179.25 180.27 3gas h PHE 94 N 0.67 0.16 -0.72 0.00 3.57 -0.30 -2.32 116.94 117.99 3gas h PHE 94 Ca 0.10 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.59 3gas h PHE 94 Cb 0.68 -0.05 -0.03 0.00 2.79 0.00 0.00 35.95 39.33 3gas h PHE 94 CO 0.03 0.11 0.39 0.87 -2.23 0.00 0.00 178.31 177.48 3gas h LYS 95 N 0.17 0.99 0.00 1.11 1.57 -1.22 -1.92 116.57 117.27 3gas h LYS 95 Ca 0.05 -0.11 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 3gas h LYS 95 Cb -0.01 -0.20 0.00 0.00 0.08 0.00 0.00 32.23 32.10 3gas h LYS 95 CO -0.01 0.73 0.00 0.93 -0.57 0.00 0.00 179.45 180.53 3gas h GLU 96 N 1.00 0.00 -0.02 3.15 5.08 -1.11 -2.86 114.58 119.82 3gas h GLU 96 Ca 0.25 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.61 3gas h GLU 96 Cb 0.03 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.28 3gas h GLU 96 CO -0.04 0.00 0.00 0.41 -1.00 0.00 0.00 179.01 178.38 3gas n GLY 97 N -0.28 -0.83 3.34 -3.84 0.00 -0.72 -4.86 105.19 98.00 3gas n GLY 97 Ca -0.00 -0.17 -0.26 0.00 0.00 0.00 0.00 46.02 45.58 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 -1.98 2.05 -0.08 1.61 0.40 -1.08 -5.01 117.98 113.90 3gas s PHE 98 Ca 0.32 -0.40 0.12 0.00 -0.60 0.00 0.00 56.93 56.37 3gas s PHE 98 Cb 0.15 -1.11 0.18 0.00 0.51 0.00 0.00 43.02 42.75 3gas s PHE 98 CO 0.25 0.29 1.08 -0.25 0.70 0.00 0.00 175.22 177.28 3gas n ASP 99 N 0.93 1.99 -3.47 1.36 8.00 -1.26 -4.95 116.55 119.15 3gas n ASP 99 Ca -0.18 -2.64 -0.10 0.00 0.71 0.00 0.00 54.79 52.57 3gas n ASP 99 Cb 0.54 -0.28 -0.02 0.00 -0.02 0.00 0.00 41.12 41.33 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 -2.14 -0.47 0.12 -2.24 1.04 -1.26 -1.06 113.70 107.69 3gas s SER 100 Ca 0.20 -0.02 -0.03 0.00 0.48 0.00 0.00 55.95 56.58 3gas s SER 100 Cb 0.17 0.51 -0.03 0.00 0.10 0.00 0.00 66.02 66.77 3gas s SER 100 CO 0.02 -0.83 0.09 0.68 0.98 0.00 0.00 173.24 174.18 3gas s VAL 101 N -3.49 0.12 0.19 5.02 -7.23 -0.35 -4.79 120.40 109.87 3gas s VAL 101 Ca 0.03 -1.75 -0.03 0.00 -1.81 0.00 0.00 61.98 58.41 3gas s VAL 101 Cb -0.01 -1.88 -0.05 0.00 0.56 0.00 0.00 36.38 35.00 3gas s VAL 101 CO -0.11 -0.53 0.41 0.00 -0.31 0.00 0.00 175.10 174.56 3gas s LEU 103 N -3.08 2.27 -0.11 0.00 1.43 0.81 -4.41 118.68 115.59 3gas s LEU 103 Ca 0.40 -0.57 0.03 0.00 -1.03 0.00 0.00 54.13 52.96 3gas s LEU 103 Cb -0.11 -0.17 0.01 0.00 0.03 0.00 0.00 46.19 45.94 3gas s LEU 103 CO 0.27 -0.21 -0.19 0.00 0.23 0.00 0.00 176.35 176.45 3gas s ALA 104 N -1.48 1.95 0.24 4.21 0.00 -0.30 -1.50 121.76 124.87 3gas s ALA 104 Ca -0.09 -0.88 0.03 0.00 0.00 0.00 0.00 51.96 51.03 3gas s ALA 104 Cb -0.09 -0.85 -0.05 0.00 0.00 0.00 0.00 23.12 22.13 3gas s ALA 104 CO 0.00 0.06 0.02 0.95 0.00 0.00 0.00 175.76 176.79 3gas s THR 105 N 0.73 0.92 -0.29 0.00 -4.23 -0.69 -2.05 115.64 110.02 3gas s THR 105 Ca -0.11 -2.02 -0.02 0.00 -1.18 0.00 0.00 61.69 58.36 3gas s THR 105 Cb -0.16 -2.41 0.04 0.00 1.34 0.00 0.00 72.50 71.31 3gas s THR 105 CO 0.02 -0.25 -0.01 -0.22 -0.54 0.00 0.00 174.62 173.62 3gas s LEU 106 N -3.31 3.77 0.54 4.79 2.96 -1.26 -1.01 118.68 125.16 3gas s LEU 106 Ca 0.30 -1.17 -0.18 0.00 -0.22 0.00 0.00 54.13 52.85 3gas s LEU 106 Cb 0.06 -1.71 -0.06 0.00 0.50 0.00 0.00 46.19 44.98 3gas s LEU 106 CO 0.10 -0.23 1.06 -2.28 -1.32 0.00 0.00 176.35 173.68 3gas s HIS 107 N 1.28 2.91 0.63 5.38 5.65 -0.67 -4.16 115.29 126.31 3gas s HIS 107 Ca -0.04 1.55 0.31 0.00 0.25 0.00 0.00 55.06 57.13 3gas s HIS 107 Cb -0.19 -3.10 1.72 0.00 -1.18 0.00 0.00 32.58 29.83 3gas s HIS 107 CO -0.01 -1.10 2.02 -1.35 -0.65 0.00 0.00 174.74 173.65 3gas h PRO 108 N 1.07 0.00 0.00 2.88 0.11 -1.88 0.16 132.00 134.33 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 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 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 -3.30 0.00 0.00 -2.05 0.23 -1.26 -4.87 115.26 104.01 3gas n ASN 109 Ca 0.01 -1.12 0.00 0.00 -0.53 0.00 0.00 54.58 52.94 3gas n ASN 109 Cb 0.37 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.07 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 0.85 1.38 3.83 4.83 0.00 0.55 -5.04 105.19 111.59 3gas n GLY 110 Ca 0.19 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.84 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 -2.44 3.72 0.62 1.61 5.04 -1.25 -4.82 115.29 117.77 3gas s HIS 111 Ca 0.00 1.16 -0.15 0.00 -1.54 0.00 0.00 55.06 54.54 3gas s HIS 111 Cb 0.00 -2.43 -0.03 0.00 0.04 0.00 0.00 32.58 30.17 3gas s HIS 111 CO 0.00 0.54 1.06 0.14 -2.34 0.00 0.00 174.74 174.14 3gas s VAL 112 N -1.24 3.81 -0.06 0.89 -7.23 -1.26 -1.67 120.40 113.64 3gas s VAL 112 Ca 0.32 0.80 0.02 0.00 -1.81 0.00 0.00 61.98 61.31 3gas s VAL 112 Cb -0.17 -3.36 0.01 0.00 0.56 0.00 0.00 36.38 33.42 3gas s VAL 112 CO 0.18 -0.56 -0.12 -0.69 -0.31 0.00 0.00 175.10 173.60 3gas s VAL 113 N -2.56 1.11 -0.21 1.32 1.01 -0.18 -4.86 120.40 116.03 3gas s VAL 113 Ca 0.63 -0.48 -0.03 0.00 0.00 0.00 0.00 61.98 62.09 3gas s VAL 113 Cb -0.16 -1.01 -0.01 0.00 0.00 0.00 0.00 36.38 35.20 3gas s VAL 113 CO 0.41 0.35 -0.06 0.00 0.00 0.00 0.00 175.10 175.80 3gas n SER 115 N 4.72 -0.19 -3.99 0.00 3.41 -0.57 -4.99 113.62 112.02 3gas n SER 115 Ca -0.18 -1.25 -0.08 0.00 -0.26 0.00 0.00 58.87 57.10 3gas n SER 115 Cb 0.51 0.35 -0.09 0.00 -0.26 0.00 0.00 64.21 64.72 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 -5.00 0.33 0.02 7.33 -0.85 -1.26 -0.13 117.35 117.79 3gas s TYR 116 Ca 0.04 -0.77 -0.13 0.00 -0.52 0.00 0.00 57.07 55.69 3gas s TYR 116 Cb -0.00 -0.24 0.02 0.00 0.38 0.00 0.00 41.96 42.12 3gas s TYR 116 CO 0.03 -0.40 0.28 0.00 -1.52 0.00 0.00 175.55 173.94 3gas s ALA 117 N -3.39 -0.64 0.44 9.51 0.00 -0.22 -4.94 121.76 122.52 3gas s ALA 117 Ca 0.02 0.04 -0.25 0.00 0.00 0.00 0.00 51.96 51.77 3gas s ALA 117 Cb 0.04 0.24 -0.08 0.00 0.00 0.00 0.00 23.12 23.31 3gas s ALA 117 CO -0.08 -0.35 1.34 -2.14 0.00 0.00 0.00 175.76 174.52 3gas s PRO 118 N -2.16 3.78 0.35 0.00 0.02 -1.26 -1.21 135.00 134.52 3gas s PRO 118 Ca -0.08 2.22 0.08 0.00 0.02 0.00 0.00 61.00 63.24 3gas s PRO 118 Cb -0.02 -2.65 -0.04 0.00 0.02 0.00 0.00 34.50 31.80 3gas s PRO 118 CO -0.01 -0.67 0.15 -1.17 -0.33 0.00 0.00 177.00 174.96 3gas s LEU 119 N -2.68 3.22 0.00 -5.54 2.96 -0.23 -2.41 118.68 114.00 3gas s LEU 119 Ca 0.60 -0.84 0.00 0.00 -0.22 0.00 0.00 54.13 53.68 3gas s LEU 119 Cb -0.39 -1.67 0.00 0.00 0.50 0.00 0.00 46.19 44.62 3gas s LEU 119 CO 0.50 -0.34 0.00 -1.54 -1.32 0.00 0.00 176.35 173.65 3gas n SER 121 N -1.16 0.00 -3.67 3.68 3.41 -1.26 -4.55 113.62 110.07 3gas n SER 121 Ca -0.03 0.00 -0.29 0.00 -0.26 0.00 0.00 58.87 58.29 3gas n SER 121 Cb 0.62 0.00 -0.13 0.00 -0.26 0.00 0.00 64.21 64.44 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 3.51 1.62 4.04 2.15 -0.19 -4.59 116.67 123.21 3gas s ASP 122 Ca 0.00 -2.59 0.00 0.00 0.43 0.00 0.00 52.55 50.39 3gas s ASP 122 Cb 0.00 -0.93 0.00 0.00 -0.30 0.00 0.00 42.92 41.69 3gas s ASP 122 CO 0.00 -0.27 0.00 0.61 -0.17 0.00 0.00 175.17 175.34 3gas n GLY 123 N 3.58 1.55 0.13 2.66 0.00 -1.26 -2.31 105.19 109.54 3gas n GLY 123 Ca 0.10 0.13 0.12 0.00 0.00 0.00 0.00 46.02 46.37 3gas n GLY 123 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3gas h LYS 124 N 0.00 0.00 -5.94 1.61 1.63 -2.05 -3.45 116.57 108.36 3gas h LYS 124 Ca 0.00 0.00 -0.57 0.00 -0.85 0.00 0.00 60.65 59.23 3gas h LYS 124 Cb 0.00 0.00 -0.06 0.00 -0.60 0.00 0.00 32.23 31.57 3gas h LYS 124 CO 0.00 0.00 0.10 -1.14 -3.45 0.00 0.00 179.45 174.96 3gas s GLN 125 N -3.25 4.38 0.17 1.90 2.00 -0.98 -5.07 119.66 118.82 3gas s GLN 125 Ca 0.04 0.82 0.05 0.00 -2.00 0.00 0.00 55.36 54.27 3gas s GLN 125 Cb 0.10 -3.48 -0.04 0.00 0.80 0.00 0.00 33.01 30.39 3gas s GLN 125 CO 0.73 -0.01 0.12 0.71 -0.50 0.00 0.00 175.29 176.34 3gas s TYR 126 N 1.08 3.12 0.16 1.67 1.51 -1.26 -1.03 117.35 122.60 3gas s TYR 126 Ca 0.35 -0.03 -0.08 0.00 -1.01 0.00 0.00 57.07 56.30 3gas s TYR 126 Cb -0.17 -1.49 -0.01 0.00 -0.11 0.00 0.00 41.96 40.18 3gas s TYR 126 CO 0.16 0.52 0.26 0.71 -1.11 0.00 0.00 175.55 176.09 3gas s TYR 127 N -1.76 0.40 0.21 2.71 2.02 -1.26 -0.92 117.35 118.75 3gas s TYR 127 Ca 0.31 -0.77 0.08 0.00 -0.37 0.00 0.00 57.07 56.31 3gas s TYR 127 Cb -0.10 -0.08 -0.05 0.00 -0.40 0.00 0.00 41.96 41.33 3gas s TYR 127 CO 0.23 -0.69 -0.14 0.96 -1.57 0.00 0.00 175.55 174.33 3gas s ILE 128 N -3.96 1.75 -0.17 2.71 -4.36 -0.15 -4.40 121.20 112.62 3gas s ILE 128 Ca 0.17 -2.21 -0.00 0.00 -0.26 0.00 0.00 60.65 58.34 3gas s ILE 128 Cb 0.04 -2.07 0.04 0.00 1.25 0.00 0.00 42.46 41.72 3gas s ILE 128 CO -0.01 -0.58 -0.05 -0.47 0.24 0.00 0.00 174.94 174.07 3gas s TYR 129 N -2.96 1.71 0.07 1.37 5.04 -1.01 -0.33 117.35 121.24 3gas s TYR 129 Ca 0.23 -1.09 0.01 0.00 -2.44 0.00 0.00 57.07 53.78 3gas s TYR 129 Cb -0.01 -1.32 -0.04 0.00 0.35 0.00 0.00 41.96 40.95 3gas s TYR 129 CO 0.07 -0.62 -0.06 0.14 -1.34 0.00 0.00 175.55 173.75 3gas s VAL 130 N 1.63 0.53 0.00 3.14 -7.23 -0.75 -4.19 120.40 113.53 3gas s VAL 130 Ca 0.01 -1.65 -0.02 0.00 -1.81 0.00 0.00 61.98 58.51 3gas s VAL 130 Cb -0.15 -1.32 -0.04 0.00 0.56 0.00 0.00 36.38 35.43 3gas s VAL 130 CO -0.08 -0.76 0.17 -0.55 -0.31 0.00 0.00 175.10 173.57 3gas s SER 131 N -2.59 6.25 0.44 4.85 0.15 -1.26 -0.16 113.70 121.39 3gas s SER 131 Ca 0.04 0.30 0.30 0.00 0.70 0.00 0.00 55.95 57.29 3gas s SER 131 Cb 0.01 -1.93 1.53 0.00 -1.71 0.00 0.00 66.02 63.92 3gas s SER 131 CO -0.04 0.25 1.91 -0.33 1.20 0.00 0.00 173.24 176.23 3gas h GLU 132 N 3.76 0.00 0.00 5.44 5.08 -1.25 -1.95 114.58 125.66 3gas h GLU 132 Ca -0.48 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 57.84 3gas h GLU 132 Cb 1.18 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.43 3gas h GLU 132 CO 0.69 0.00 -0.16 0.28 -1.00 0.00 0.00 179.01 178.82 3gas h VAL 133 N 0.00 0.34 -3.67 3.13 2.07 -1.94 -3.46 116.25 112.72 3gas h VAL 133 Ca 0.00 -1.10 -0.50 0.00 0.82 0.00 0.00 66.70 65.92 3gas h VAL 133 Cb 0.12 1.85 -0.03 0.00 -1.52 0.00 0.00 31.29 31.72 3gas h VAL 133 CO 0.00 0.16 0.10 0.00 0.02 0.00 0.00 177.57 177.85 3gas s ALA 134 N -3.46 3.35 0.54 1.67 0.00 -0.74 -4.99 121.76 118.14 3gas s ALA 134 Ca 0.03 0.09 0.22 0.00 0.00 0.00 0.00 51.96 52.29 3gas s ALA 134 Cb 0.08 -2.79 1.43 0.00 0.00 0.00 0.00 23.12 21.84 3gas s ALA 134 CO 0.64 0.33 2.12 1.49 0.00 0.00 0.00 175.76 180.34 3gas h GLU 135 N 2.66 0.00 0.00 0.00 4.81 -1.88 -2.14 114.58 118.04 3gas h GLU 135 Ca -0.48 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.75 3gas h GLU 135 Cb 1.18 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.56 3gas h GLU 135 CO 0.65 0.00 0.00 -2.39 -0.73 0.00 0.00 179.01 176.54 3gas n HIS 136 N -4.31 0.92 -0.17 0.92 1.44 -1.26 -3.45 115.22 109.32 3gas n HIS 136 Ca 0.00 0.31 -0.08 0.00 -2.01 0.00 0.00 57.72 55.95 3gas n HIS 136 Cb 0.24 -1.01 0.01 0.00 0.12 0.00 0.00 29.99 29.35 3gas n HIS 136 CO 0.00 0.00 0.00 0.35 -2.81 0.00 0.00 176.34 173.88 3gas h PHE 137 N 0.00 0.69 -0.74 -1.40 3.57 -1.61 -1.50 116.94 115.95 3gas h PHE 137 Ca 0.00 -0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.47 3gas h PHE 137 Cb 0.56 -0.22 -0.04 0.00 2.79 0.00 0.00 35.95 39.05 3gas h PHE 137 CO 0.00 0.55 0.49 0.00 -2.23 0.00 0.00 178.31 177.11 3gas h ALA 138 N 1.08 1.47 -0.15 2.41 0.00 -1.75 0.42 119.26 122.74 3gas h ALA 138 Ca 0.17 -0.05 -0.19 0.00 0.00 0.00 0.00 54.91 54.83 3gas h ALA 138 Cb 0.11 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.60 3gas h ALA 138 CO -0.02 0.49 -0.68 0.78 0.00 0.00 0.00 179.25 179.82 3gas h GLY 139 N 1.01 0.66 1.76 0.00 0.00 -1.66 0.56 103.07 105.39 3gas h GLY 139 Ca 0.27 -0.87 -0.08 0.00 0.00 0.00 0.00 47.33 46.66 3gas h GLY 139 CO -0.06 0.78 -0.25 1.41 0.00 0.00 0.00 176.54 178.42 3gas h LEU 140 N 0.43 0.28 0.01 3.11 3.38 -0.55 0.18 115.31 122.15 3gas h LEU 140 Ca -0.02 -0.08 -0.02 0.00 0.09 0.00 0.00 57.88 57.85 3gas h LEU 140 Cb 1.26 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.94 3gas h LEU 140 CO 0.13 0.54 -0.06 0.50 0.09 0.00 0.00 178.44 179.63 3gas h LYS 141 N 0.26 0.03 0.05 1.13 3.64 -0.78 -3.25 116.57 117.64 3gas h LYS 141 Ca 0.04 -0.04 -0.25 0.00 -1.27 0.00 0.00 60.65 59.13 3gas h LYS 141 Cb 0.58 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.39 3gas h LYS 141 CO 0.04 0.94 -1.22 -0.91 -2.27 0.00 0.00 179.45 176.03 3gas h ASN 142 N -0.86 0.16 -2.05 4.20 -0.26 -0.89 -3.38 115.58 112.50 3gas h ASN 142 Ca -0.01 -0.19 -0.54 0.00 -0.56 0.00 0.00 56.30 55.00 3gas h ASN 142 Cb 0.97 -0.05 -0.41 0.00 -1.06 0.00 0.00 38.32 37.77 3gas h ASN 142 CO 0.01 1.15 -0.88 0.59 -1.06 0.00 0.00 177.43 177.24 3gas n ASN 143 N -3.37 3.02 0.29 5.81 5.03 0.63 -4.93 115.26 121.73 3gas n ASN 143 Ca -0.06 -3.39 0.18 0.00 0.87 0.00 0.00 54.58 52.18 3gas n ASN 143 Cb 0.99 -0.57 0.98 0.00 -1.02 0.00 0.00 39.78 40.16 3gas n ASN 143 CO 0.00 0.00 0.00 1.55 -1.83 0.00 0.00 177.26 176.98 3gas h PRO 144 N 2.96 0.00 -0.44 3.52 0.13 -1.60 -1.81 132.00 134.77 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 0.69 0.00 0.00 0.72 -0.23 0.00 0.00 178.00 179.18 3gas n HIS 145 N -3.46 1.15 -3.65 1.56 8.25 -1.26 -1.12 115.22 116.68 3gas n HIS 145 Ca -0.01 -0.70 -0.27 0.00 -0.26 0.00 0.00 57.72 56.47 3gas n HIS 145 Cb 0.19 -0.26 -0.11 0.00 1.12 0.00 0.00 29.99 30.94 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 0.35 1.98 -3.82 0.41 2.85 -0.68 -4.80 115.26 111.55 3gas n ASN 146 Ca 0.21 -2.98 -0.12 0.00 -0.11 0.00 0.00 54.58 51.58 3gas n ASN 146 Cb 0.83 -0.68 -0.11 0.00 1.24 0.00 0.00 39.78 41.06 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 -1.18 0.03 -0.04 3.44 1.01 -1.24 -4.04 120.40 118.37 3gas s VAL 147 Ca 0.30 -0.22 0.04 0.00 0.00 0.00 0.00 61.98 62.10 3gas s VAL 147 Cb 0.02 -0.34 -0.00 0.00 0.00 0.00 0.00 36.38 36.06 3gas s VAL 147 CO -0.15 -0.12 -0.17 -0.70 0.00 0.00 0.00 175.10 173.96 3gas s GLU 148 N -0.40 1.78 0.26 2.72 2.12 -0.87 -0.70 118.70 123.61 3gas s GLU 148 Ca -0.05 -0.60 0.02 0.00 0.36 0.00 0.00 54.97 54.71 3gas s GLU 148 Cb -0.03 -1.54 0.02 0.00 0.26 0.00 0.00 34.13 32.84 3gas s GLU 148 CO 0.01 0.23 0.17 0.28 -0.54 0.00 0.00 175.26 175.41 3gas n VAL 149 N 3.19 0.00 -3.37 3.70 0.31 -0.56 -1.15 118.33 120.44 3gas n VAL 149 Ca -0.18 -1.03 -0.03 0.00 -0.01 0.00 0.00 64.34 63.08 3gas n VAL 149 Cb 0.53 -0.23 -0.05 0.00 -0.91 0.00 0.00 33.84 33.18 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 -1.33 -1.19 -0.14 3.52 0.08 0.61 -1.02 117.98 118.51 3gas s PHE 151 Ca 0.13 1.50 0.02 0.00 0.12 0.00 0.00 56.93 58.70 3gas s PHE 151 Cb -0.01 0.39 0.00 0.00 -0.57 0.00 0.00 43.02 42.83 3gas s PHE 151 CO 0.08 -0.73 -0.20 -1.17 -0.10 0.00 0.00 175.22 173.11 3gas s LEU 152 N 2.73 2.26 0.37 -0.37 2.96 -1.26 -0.94 118.68 124.42 3gas s LEU 152 Ca 0.11 -0.54 -0.28 0.00 -0.22 0.00 0.00 54.13 53.19 3gas s LEU 152 Cb -0.14 -1.49 -0.11 0.00 0.50 0.00 0.00 46.19 44.95 3gas s LEU 152 CO -0.18 0.10 1.46 -0.70 -1.32 0.00 0.00 176.35 175.71 3gas s GLU 153 N 0.72 4.15 0.34 1.98 2.12 -0.17 -4.92 118.70 122.94 3gas s GLU 153 Ca -0.08 2.51 -0.28 0.00 0.36 0.00 0.00 54.97 57.47 3gas s GLU 153 Cb -0.16 -2.99 -0.12 0.00 0.26 0.00 0.00 34.13 31.12 3gas s GLU 153 CO 0.01 -0.47 1.36 -0.25 -0.54 0.00 0.00 175.26 175.36 3gas n ASP 154 N 0.53 3.05 -0.08 -1.70 8.00 -1.26 -4.77 116.55 120.32 3gas n ASP 154 Ca 0.01 1.21 0.02 0.00 0.71 0.00 0.00 54.79 56.73 3gas n ASP 154 Cb 0.40 -1.52 0.33 0.00 -0.02 0.00 0.00 41.12 40.31 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 2.86 0.71 0.00 -1.24 4.81 -1.96 -1.04 114.58 118.72 3gas h GLU 155 Ca -0.47 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 58.70 3gas h GLU 155 Cb 1.27 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 30.50 3gas h GLU 155 CO 0.65 0.51 0.00 -1.13 -0.73 0.00 0.00 179.01 178.31 3gas n SER 156 N -4.41 0.00 -0.01 1.04 3.41 -1.26 -2.91 113.62 109.48 3gas n SER 156 Ca 0.05 0.38 0.08 0.00 -0.26 0.00 0.00 58.87 59.12 3gas n SER 156 Cb 0.09 -0.45 -0.12 0.00 -0.26 0.00 0.00 64.21 63.47 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 -1.45 0.60 -1.33 4.33 5.02 -0.47 -5.04 118.16 119.82 3gas n LYS 157 Ca 0.06 -0.13 -0.32 0.00 -2.02 0.00 0.00 58.31 55.91 3gas n LYS 157 Cb 0.23 -1.36 0.09 0.00 -0.02 0.00 0.00 35.03 33.98 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 -3.02 2.20 0.23 7.82 0.00 -0.72 -4.96 121.76 123.30 3gas s ALA 158 Ca -0.05 0.43 -0.08 0.00 0.00 0.00 0.00 51.96 52.26 3gas s ALA 158 Cb 0.10 -3.32 0.20 0.00 0.00 0.00 0.00 23.12 20.10 3gas s ALA 158 CO 0.64 -1.78 1.90 0.87 0.00 0.00 0.00 175.76 177.39 3gas h LYS 159 N -0.86 1.15 -2.71 0.00 1.79 -1.87 -3.46 116.57 110.61 3gas h LYS 159 Ca -0.45 -0.08 0.09 0.00 -2.18 0.00 0.00 60.65 58.04 3gas h LYS 159 Cb 1.24 -0.26 -0.03 0.00 -1.58 0.00 0.00 32.23 31.61 3gas h LYS 159 CO 0.51 0.77 0.42 -1.54 -1.08 0.00 0.00 179.45 178.53 3gas s SER 160 N -6.02 -0.05 0.46 0.86 1.04 -1.25 -4.66 113.70 104.08 3gas s SER 160 Ca -0.13 -0.79 0.19 0.00 0.48 0.00 0.00 55.95 55.71 3gas s SER 160 Cb 0.16 0.64 1.13 0.00 0.10 0.00 0.00 66.02 68.06 3gas s SER 160 CO 0.80 -1.26 1.99 0.00 0.98 0.00 0.00 173.24 175.75 3gas h ALA 161 N 2.00 1.47 -0.01 5.32 0.00 -1.90 -2.51 119.26 123.63 3gas h ALA 161 Ca -0.28 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.46 3gas h ALA 161 Cb 1.23 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.99 3gas h ALA 161 CO 0.34 0.24 -0.29 0.44 0.00 0.00 0.00 179.25 179.98 3gas n ILE 162 N -4.00 0.00 -3.27 0.00 -5.35 -1.26 -4.44 119.36 101.05 3gas n ILE 162 Ca -0.02 -0.18 -0.25 0.00 -0.27 0.00 0.00 62.75 62.03 3gas n ILE 162 Cb 0.27 0.66 -0.07 0.00 -1.74 0.00 0.00 39.64 38.76 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 -0.36 1.44 -4.67 7.28 7.94 -0.94 -5.05 117.00 122.63 3gas n LEU 163 Ca 0.12 -4.96 -0.38 0.00 -1.11 0.00 0.00 56.01 49.68 3gas n LEU 163 Cb 0.39 0.18 -0.07 0.00 0.53 0.00 0.00 43.42 44.45 3gas n LEU 163 CO 0.26 2.07 0.10 -0.13 -1.11 0.00 0.00 177.39 178.58 3gas s ARG 164 N -1.66 4.18 0.47 1.96 0.52 -1.24 -3.69 118.95 119.49 3gas s ARG 164 Ca 0.37 0.21 -0.24 0.00 -0.52 0.00 0.00 55.73 55.55 3gas s ARG 164 Cb 0.17 -3.53 -0.07 0.00 0.52 0.00 0.00 34.95 32.03 3gas s ARG 164 CO -0.08 -0.03 1.33 0.15 0.02 0.00 0.00 175.30 176.70 3gas s LYS 165 N 1.27 3.61 -0.04 3.54 1.02 -1.26 -4.79 119.74 123.09 3gas s LYS 165 Ca 0.19 2.19 -0.14 0.00 0.02 0.00 0.00 55.97 58.23 3gas s LYS 165 Cb -0.15 -2.52 0.02 0.00 -0.52 0.00 0.00 37.83 34.66 3gas s LYS 165 CO 0.08 -0.80 0.31 -0.98 -0.92 0.00 0.00 175.35 173.04 3gas s ARG 166 N -2.57 0.60 -0.11 1.68 1.70 -0.89 -1.00 118.95 118.36 3gas s ARG 166 Ca 0.63 -0.05 -0.01 0.00 -0.47 0.00 0.00 55.73 55.84 3gas s ARG 166 Cb -0.39 0.27 0.03 0.00 -0.57 0.00 0.00 34.95 34.29 3gas s ARG 166 CO 0.48 -0.15 -0.04 -1.17 -1.08 0.00 0.00 175.30 173.34 3gas s LEU 167 N -0.98 1.06 -0.04 -1.89 2.96 -0.11 -1.11 118.68 118.56 3gas s LEU 167 Ca -0.11 -0.33 0.06 0.00 -0.22 0.00 0.00 54.13 53.53 3gas s LEU 167 Cb -0.05 -0.70 -0.01 0.00 0.50 0.00 0.00 46.19 45.93 3gas s LEU 167 CO 0.03 -0.17 -0.22 -0.13 -1.32 0.00 0.00 176.35 174.54 3gas s ARG 168 N 1.80 2.09 -0.04 1.98 0.52 0.09 -0.28 118.95 125.10 3gas s ARG 168 Ca 0.04 -0.79 0.02 0.00 -0.52 0.00 0.00 55.73 54.48 3gas s ARG 168 Cb -0.13 -1.86 0.01 0.00 0.52 0.00 0.00 34.95 33.49 3gas s ARG 168 CO -0.07 0.38 -0.10 0.71 0.02 0.00 0.00 175.30 176.23 3gas s TYR 169 N -0.22 1.13 0.16 -0.53 2.02 -0.19 -0.18 117.35 119.53 3gas s TYR 169 Ca 0.00 -0.33 -0.30 0.00 -0.37 0.00 0.00 57.07 56.07 3gas s TYR 169 Cb -0.11 -0.82 -0.08 0.00 -0.40 0.00 0.00 41.96 40.54 3gas s TYR 169 CO 0.02 -0.16 1.25 0.15 -1.57 0.00 0.00 175.55 175.23 3gas s LYS 170 N 0.40 4.44 0.01 -0.62 -0.14 -0.20 -1.50 119.74 122.14 3gas s LYS 170 Ca -0.07 1.92 0.04 0.00 -1.36 0.00 0.00 55.97 56.49 3gas s LYS 170 Cb -0.12 -3.25 -0.01 0.00 -1.68 0.00 0.00 37.83 32.77 3gas s LYS 170 CO 0.01 -0.20 -0.12 0.99 -0.76 0.00 0.00 175.35 175.28 3gas s THR 171 N 0.32 0.93 -0.14 2.17 2.01 0.12 -0.59 115.64 120.47 3gas s THR 171 Ca 0.56 -0.69 -0.06 0.00 0.31 0.00 0.00 61.69 61.82 3gas s THR 171 Cb -0.33 -0.81 -0.04 0.00 0.01 0.00 0.00 72.50 71.32 3gas s THR 171 CO 0.35 0.12 0.06 0.20 -0.69 0.00 0.00 174.62 174.67 3gas s ASN 172 N -0.64 5.71 0.27 3.53 0.01 -0.41 -3.68 114.94 119.73 3gas s ASN 172 Ca 0.02 0.20 0.12 0.00 -0.71 0.00 0.00 52.86 52.49 3gas s ASN 172 Cb -0.06 -1.85 -0.05 0.00 0.41 0.00 0.00 41.25 39.70 3gas s ASN 172 CO 0.00 0.29 -0.17 0.42 -1.51 0.00 0.00 177.10 176.13 3gas s THR 173 N -0.34 2.62 -0.08 1.60 -4.23 -0.28 -0.72 115.64 114.21 3gas s THR 173 Ca 0.09 -2.29 -0.22 0.00 -1.18 0.00 0.00 61.69 58.09 3gas s THR 173 Cb -0.12 -2.36 0.05 0.00 1.34 0.00 0.00 72.50 71.41 3gas s THR 173 CO 0.02 -0.36 0.52 0.00 -0.54 0.00 0.00 174.62 174.26 3gas s ARG 174 N -3.43 0.81 0.26 3.99 1.70 -0.96 -4.74 118.95 116.58 3gas s ARG 174 Ca 0.29 0.25 -0.29 0.00 -0.47 0.00 0.00 55.73 55.51 3gas s ARG 174 Cb -0.06 0.38 -0.09 0.00 -0.57 0.00 0.00 34.95 34.61 3gas s ARG 174 CO 0.15 -0.21 0.96 -0.06 -1.08 0.00 0.00 175.30 175.06 3gas s PHE 175 N -0.82 3.88 -0.18 5.89 0.08 -1.26 -0.29 117.98 125.28 3gas s PHE 175 Ca -0.09 1.87 -0.05 0.00 0.12 0.00 0.00 56.93 58.79 3gas s PHE 175 Cb -0.03 -3.00 -0.03 0.00 -0.57 0.00 0.00 43.02 39.40 3gas s PHE 175 CO 0.06 0.30 -0.01 0.42 -0.10 0.00 0.00 175.22 175.88 3gas s ILE 176 N -1.27 4.00 0.65 0.64 -1.09 -0.30 -4.86 121.20 118.96 3gas s ILE 176 Ca 0.43 -0.31 -0.11 0.00 -2.23 0.00 0.00 60.65 58.43 3gas s ILE 176 Cb -0.25 -2.78 -0.02 0.00 -1.58 0.00 0.00 42.46 37.83 3gas s ILE 176 CO 0.31 0.46 1.04 -1.61 -1.23 0.00 0.00 174.94 173.92 3gas s GLU 177 N 0.63 3.29 0.62 2.79 0.41 -1.26 -4.31 118.70 120.87 3gas s GLU 177 Ca -0.01 0.85 -0.17 0.00 -0.41 0.00 0.00 54.97 55.22 3gas s GLU 177 Cb -0.14 -2.04 -0.02 0.00 -1.78 0.00 0.00 34.13 30.15 3gas s GLU 177 CO 0.02 -0.82 1.17 1.03 -0.49 0.00 0.00 175.26 176.17 3gas s ARG 178 N -5.11 2.87 0.00 1.61 0.52 -1.26 -4.41 118.95 113.17 3gas s ARG 178 Ca 0.56 1.66 0.00 0.00 -0.52 0.00 0.00 55.73 57.43 3gas s ARG 178 Cb -0.12 -1.94 0.00 0.00 0.52 0.00 0.00 34.95 33.41 3gas s ARG 178 CO 0.54 -1.24 0.00 0.41 0.02 0.00 0.00 175.30 175.03 3gas n GLY 179 N 0.15 0.19 0.13 -3.53 0.00 -1.26 -4.90 105.19 95.97 3gas n GLY 179 Ca 0.12 -1.34 -0.09 0.00 0.00 0.00 0.00 46.02 44.71 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 0.35 -0.64 4.61 0.00 -1.99 -0.17 119.26 121.42 3gas h ALA 180 Ca 0.00 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.80 3gas h ALA 180 Cb 0.00 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 3gas h ALA 180 CO 0.00 -0.16 0.15 1.49 0.00 0.00 0.00 179.25 180.73 3gas h GLU 181 N 0.34 1.02 -0.16 0.00 4.81 -1.93 -1.37 114.58 117.30 3gas h GLU 181 Ca 0.10 -0.25 -0.00 0.00 -0.13 0.00 0.00 59.36 59.08 3gas h GLU 181 Cb 0.01 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.25 3gas h GLU 181 CO -0.02 0.93 0.10 0.35 -0.73 0.00 0.00 179.01 179.64 3gas h PHE 182 N 0.94 0.21 -0.30 0.92 3.57 -1.71 -2.57 116.94 118.01 3gas h PHE 182 Ca 0.20 -0.00 -0.08 0.00 3.53 0.00 0.00 57.97 61.62 3gas h PHE 182 Cb 0.37 -0.07 -0.02 0.00 2.79 0.00 0.00 35.95 39.02 3gas h PHE 182 CO 0.03 0.18 -0.17 -0.44 -2.23 0.00 0.00 178.31 175.68 3gas h ASP 183 N 0.19 0.52 -0.29 0.41 3.32 -0.87 -0.91 116.42 118.79 3gas h ASP 183 Ca 0.06 -0.15 -0.00 0.00 0.02 0.00 0.00 57.03 56.96 3gas h ASP 183 Cb 0.03 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.42 3gas h ASP 183 CO -0.01 0.70 0.18 0.50 -1.72 0.00 0.00 179.24 178.89 3gas h LYS 184 N 0.48 0.39 -0.27 3.56 3.64 -1.05 0.24 116.57 123.56 3gas h LYS 184 Ca 0.08 -0.03 -0.07 0.00 -1.27 0.00 0.00 60.65 59.35 3gas h LYS 184 Cb 0.57 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.30 3gas h LYS 184 CO 0.04 0.30 -0.12 0.00 -2.27 0.00 0.00 179.45 177.39 3gas h ALA 185 N 1.07 0.38 -0.40 5.00 0.00 -1.21 -2.03 119.26 122.07 3gas h ALA 185 Ca 0.10 -0.31 -0.10 0.00 0.00 0.00 0.00 54.91 54.60 3gas h ALA 185 Cb 0.01 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 3gas h ALA 185 CO -0.02 0.25 -0.16 0.35 0.00 0.00 0.00 179.25 179.67 3gas h PHE 186 N 0.30 0.93 -0.75 0.00 3.57 -1.06 -1.49 116.94 118.45 3gas h PHE 186 Ca 0.06 -0.22 -0.02 0.00 3.53 0.00 0.00 57.97 61.32 3gas h PHE 186 Cb 0.63 -0.22 -0.03 0.00 2.79 0.00 0.00 35.95 39.12 3gas h PHE 186 CO 0.06 0.97 0.39 -0.44 -2.23 0.00 0.00 178.31 177.06 3gas h ASP 187 N 0.63 0.95 -0.55 0.41 3.32 -0.55 -0.51 116.42 120.12 3gas h ASP 187 Ca 0.09 -0.11 -0.03 0.00 0.02 0.00 0.00 57.03 57.00 3gas h ASP 187 Cb 0.71 -0.24 -0.03 0.00 0.22 0.00 0.00 39.33 39.99 3gas h ASP 187 CO 0.05 0.79 0.23 -1.28 -1.72 0.00 0.00 179.24 177.31 3gas h SER 188 N 1.04 0.78 -0.41 6.45 0.87 -1.11 -0.26 113.55 120.91 3gas h SER 188 Ca 0.26 -0.10 -0.06 0.00 -1.23 0.00 0.00 61.79 60.66 3gas h SER 188 Cb 0.06 -0.20 -0.02 0.00 -0.44 0.00 0.00 62.40 61.81 3gas h SER 188 CO -0.04 0.70 0.02 0.15 -0.53 0.00 0.00 176.83 177.13 3gas h PHE 189 N 0.84 0.78 -0.53 2.24 3.57 -0.63 -0.18 116.94 123.03 3gas h PHE 189 Ca 0.20 -0.13 -0.03 0.00 3.53 0.00 0.00 57.97 61.54 3gas h PHE 189 Cb 0.17 -0.21 -0.02 0.00 2.79 0.00 0.00 35.95 38.68 3gas h PHE 189 CO 0.01 0.77 0.21 0.82 -2.23 0.00 0.00 178.31 177.90 3gas h ILE 190 N 0.56 1.22 -0.40 1.41 2.04 -0.68 -0.20 117.51 121.45 3gas h ILE 190 Ca 0.12 -0.67 -0.00 0.00 1.00 0.00 0.00 64.86 65.30 3gas h ILE 190 Cb 0.45 0.67 -0.02 0.00 -0.74 0.00 0.00 36.82 37.18 3gas h ILE 190 CO 0.02 0.26 0.23 -0.08 0.00 0.00 0.00 178.15 178.58 3gas h GLU 191 N 0.72 0.54 -0.23 2.37 4.57 -0.84 -0.27 114.58 121.44 3gas h GLU 191 Ca 0.18 -0.05 -0.09 0.00 -1.18 0.00 0.00 59.36 58.21 3gas h GLU 191 Cb 0.20 -0.11 -0.00 0.00 -0.16 0.00 0.00 28.75 28.67 3gas h GLU 191 CO -0.01 0.41 -0.22 -0.22 -1.18 0.00 0.00 179.01 177.79 3gas h LYS 192 N 0.52 0.55 0.00 1.92 3.64 -0.82 -3.28 116.57 119.10 3gas h LYS 192 Ca 0.14 -0.29 -0.00 0.00 -1.27 0.00 0.00 60.65 59.23 3gas h LYS 192 Cb 0.02 0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 31.85 3gas h LYS 192 CO -0.03 0.87 -0.28 1.79 -2.27 0.00 0.00 179.45 179.54 3gas h THR 193 N 0.25 0.01 0.00 1.00 1.35 -1.03 -3.47 112.91 111.02 3gas h THR 193 Ca 0.04 -1.02 0.00 0.00 -0.55 0.00 0.00 66.41 64.88 3gas h THR 193 Cb 0.77 1.87 0.00 0.00 -1.73 0.00 0.00 68.15 69.06 3gas h THR 193 CO 0.05 0.01 0.00 0.61 -0.25 0.00 0.00 175.52 175.94 3gas n GLY 194 N 1.12 3.10 2.32 5.82 0.00 -0.15 -4.64 105.19 112.76 3gas n GLY 194 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 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 -1.71 0.38 3.98 -0.02 0.00 -0.98 -4.93 105.19 101.92 3gas n GLY 195 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.81 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 -1.79 3.91 0.00 4.61 0.00 -1.26 -4.22 121.76 123.01 3gas s ALA 196 Ca 0.00 -1.48 0.00 0.00 0.00 0.00 0.00 51.96 50.48 3gas s ALA 196 Cb 0.00 -2.01 0.00 0.00 0.00 0.00 0.00 23.12 21.11 3gas s ALA 196 CO 0.00 -0.92 0.00 0.41 0.00 0.00 0.00 175.76 175.25 3gas n GLY 197 N -2.45 0.64 0.00 0.00 0.00 -1.26 -3.97 105.19 98.15 3gas n GLY 197 Ca 0.10 -0.26 0.00 0.00 0.00 0.00 0.00 46.02 45.87 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 -2.67 1.46 0.34 -0.02 0.00 -1.26 -4.98 105.19 98.06 3gas n GLY 198 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.09 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 0.87 -0.22 -0.61 2.04 -1.79 -1.28 117.51 116.52 3gas h ILE 199 Ca 0.00 -0.30 -0.12 0.00 1.00 0.00 0.00 64.86 65.43 3gas h ILE 199 Cb 0.00 -0.09 -0.01 0.00 -0.74 0.00 0.00 36.82 35.98 3gas h ILE 199 CO 0.00 0.16 -0.39 0.11 0.00 0.00 0.00 178.15 178.04 3gas h LYS 200 N 0.88 0.50 -0.14 2.37 1.57 -1.89 -2.79 116.57 117.07 3gas h LYS 200 Ca 0.48 -0.24 -0.03 0.00 -1.87 0.00 0.00 60.65 58.99 3gas h LYS 200 Cb 0.53 -0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.84 3gas h LYS 200 CO -0.29 0.81 -0.03 1.15 -0.57 0.00 0.00 179.45 180.52 3gas h THR 201 N 0.41 1.28 0.00 -0.16 2.02 -1.70 -3.13 112.91 111.64 3gas h THR 201 Ca 0.04 -0.96 0.00 0.00 0.77 0.00 0.00 66.41 66.26 3gas h THR 201 Cb 0.86 1.64 0.00 0.00 -1.74 0.00 0.00 68.15 68.91 3gas h THR 201 CO 0.07 0.28 0.00 0.16 0.37 0.00 0.00 175.52 176.40 3gas h ILE 202 N -0.04 0.00 -0.57 3.11 3.07 -1.24 -2.30 117.51 119.54 3gas h ILE 202 Ca 0.04 -0.38 -0.02 0.00 1.55 0.00 0.00 64.86 66.05 3gas h ILE 202 Cb 0.44 1.27 -0.03 0.00 -0.27 0.00 0.00 36.82 38.23 3gas h ILE 202 CO 0.01 0.00 0.27 -0.09 -1.05 0.00 0.00 178.15 177.29 3gas h ARG 203 N 0.00 0.80 -5.20 0.16 2.43 -1.43 -3.45 114.38 107.69 3gas h ARG 203 Ca 0.00 -0.10 -0.70 0.00 -0.81 0.00 0.00 59.98 58.37 3gas h ARG 203 Cb 0.43 -0.15 -0.15 0.00 -0.42 0.00 0.00 29.97 29.68 3gas h ARG 203 CO 0.00 0.62 1.46 0.00 -1.51 0.00 0.00 179.97 180.55 3gas s ALA 204 N -5.46 3.59 0.00 2.80 0.00 -0.87 -5.05 121.76 116.78 3gas s ALA 204 Ca -0.10 -3.03 0.00 0.00 0.00 0.00 0.00 51.96 48.83 3gas s ALA 204 Cb 0.17 -4.27 0.00 0.00 0.00 0.00 0.00 23.12 19.01 3gas s ALA 204 CO 0.78 -3.02 0.00 1.04 0.00 0.00 0.00 175.76 174.56 3gas n GLN 206 N 6.78 0.00 0.00 0.00 1.13 -1.26 -5.04 117.38 118.98 3gas n GLN 206 Ca 0.37 0.00 0.14 0.00 -1.94 0.00 0.00 57.00 55.57 3gas n GLN 206 Cb 0.46 -0.06 0.67 0.00 0.11 0.00 0.00 30.24 31.42 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 0.07 -4.87 1.08 5.75 -1.26 -4.78 116.55 112.54 3gas n ASP 207 Ca 0.00 0.04 -0.35 0.00 -0.01 0.00 0.00 54.79 54.47 3gas n ASP 207 Cb 0.04 -0.32 -0.06 0.00 -1.03 0.00 0.00 41.12 39.75 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 -2.73 3.61 -0.01 2.11 0.08 -1.26 -0.61 117.98 119.17 3gas s PHE 208 Ca 0.23 0.77 0.03 0.00 0.12 0.00 0.00 56.93 58.07 3gas s PHE 208 Cb 0.20 -2.13 -0.01 0.00 -0.57 0.00 0.00 43.02 40.50 3gas s PHE 208 CO 0.50 0.57 -0.11 -1.01 -0.10 0.00 0.00 175.22 175.07 3gas s HIS 209 N -1.31 0.96 -0.05 0.36 3.76 0.78 -4.95 115.29 114.84 3gas s HIS 209 Ca 0.30 -0.19 -0.23 0.00 -0.15 0.00 0.00 55.06 54.78 3gas s HIS 209 Cb -0.14 -0.62 -0.04 0.00 1.11 0.00 0.00 32.58 32.89 3gas s HIS 209 CO 0.16 -0.02 0.70 -1.17 -0.85 0.00 0.00 174.74 173.56 3gas s LEU 210 N -0.29 4.33 -0.11 0.89 2.96 -1.26 -1.81 118.68 123.38 3gas s LEU 210 Ca 0.04 1.21 0.01 0.00 -0.22 0.00 0.00 54.13 55.17 3gas s LEU 210 Cb -0.04 -3.08 0.02 0.00 0.50 0.00 0.00 46.19 43.58 3gas s LEU 210 CO -0.00 -0.09 -0.14 -0.63 -1.32 0.00 0.00 176.35 174.17 3gas s ILE 211 N 0.67 1.40 0.31 6.68 1.01 0.55 -1.15 121.20 130.66 3gas s ILE 211 Ca 0.37 -0.57 -0.28 0.00 0.00 0.00 0.00 60.65 60.18 3gas s ILE 211 Cb -0.18 -1.31 -0.09 0.00 0.01 0.00 0.00 42.46 40.89 3gas s ILE 211 CO 0.18 0.42 1.02 0.00 0.00 0.00 0.00 174.94 176.57 3gas s ALA 212 N 1.17 3.28 -0.23 9.38 0.00 0.60 -0.98 121.76 134.98 3gas s ALA 212 Ca -0.03 0.71 -0.07 0.00 0.00 0.00 0.00 51.96 52.57 3gas s ALA 212 Cb -0.14 -3.26 -0.03 0.00 0.00 0.00 0.00 23.12 19.69 3gas s ALA 212 CO -0.04 -0.01 0.05 -0.51 0.00 0.00 0.00 175.76 175.24 3gas s LEU 213 N -1.78 3.43 -0.41 0.00 1.43 -0.10 -2.27 118.68 118.98 3gas s LEU 213 Ca 0.48 -0.18 -0.04 0.00 -1.03 0.00 0.00 54.13 53.36 3gas s LEU 213 Cb -0.26 -1.90 0.11 0.00 0.03 0.00 0.00 46.19 44.17 3gas s LEU 213 CO 0.32 0.01 0.22 -1.81 0.23 0.00 0.00 176.35 175.32 3gas s ASP 214 N 1.31 5.32 0.26 2.29 1.01 0.10 -4.29 116.67 122.68 3gas s ASP 214 Ca 0.05 -1.93 -0.29 0.00 0.71 0.00 0.00 52.55 51.08 3gas s ASP 214 Cb -0.15 -1.86 -0.09 0.00 1.01 0.00 0.00 42.92 41.83 3gas s ASP 214 CO 0.03 -0.55 1.24 -0.36 0.21 0.00 0.00 175.17 175.74 3gas s PHE 215 N 1.20 3.29 0.00 4.23 0.08 -1.26 -1.29 117.98 124.23 3gas s PHE 215 Ca 0.07 1.43 0.00 0.00 0.12 0.00 0.00 56.93 58.55 3gas s PHE 215 Cb -0.23 -3.53 0.00 0.00 -0.57 0.00 0.00 43.02 38.69 3gas s PHE 215 CO -0.03 -1.46 0.00 1.63 -0.10 0.00 0.00 175.22 175.26 3gas n LYS 216 N 1.65 0.00 -1.93 0.44 5.02 0.24 -4.83 118.16 118.76 3gas n LYS 216 Ca 0.02 0.00 -0.41 0.00 -2.02 0.00 0.00 58.31 55.90 3gas n LYS 216 Cb 0.43 0.00 -0.01 0.00 -0.02 0.00 0.00 35.03 35.43 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 3.82 4.21 0.20 1.97 8.01 -1.26 -4.52 118.70 131.13 3gas s GLU 217 Ca 0.00 2.43 0.05 0.00 0.01 0.00 0.00 54.97 57.46 3gas s GLU 217 Cb 0.00 -3.01 -0.05 0.00 -4.31 0.00 0.00 34.13 26.76 3gas s GLU 217 CO 0.00 -0.40 -0.06 0.20 0.01 0.00 0.00 175.26 175.01 3gas s GLY 218 N -0.26 1.38 -0.04 -1.39 0.00 0.10 -1.03 107.32 106.08 3gas s GLY 218 Ca 0.52 -1.66 -0.00 0.00 0.00 0.00 0.00 44.72 43.57 3gas s GLY 218 CO 0.59 -1.66 0.01 -1.60 0.00 0.00 0.00 173.10 170.43 3gas s ARG 219 N -3.78 0.34 -0.13 2.90 6.06 0.75 -0.64 118.95 124.45 3gas s ARG 219 Ca 0.23 0.12 0.02 0.00 -2.50 0.00 0.00 55.73 53.61 3gas s ARG 219 Cb 0.04 -0.63 0.00 0.00 0.06 0.00 0.00 34.95 34.42 3gas s ARG 219 CO 0.06 -0.21 -0.20 0.12 -2.50 0.00 0.00 175.30 172.57 3gas s PHE 220 N 1.44 2.68 -0.15 5.12 5.36 -0.09 -0.73 117.98 131.61 3gas s PHE 220 Ca -0.04 -1.11 0.01 0.00 -0.96 0.00 0.00 56.93 54.83 3gas s PHE 220 Cb -0.13 -1.81 0.02 0.00 -0.34 0.00 0.00 43.02 40.76 3gas s PHE 220 CO -0.03 -0.48 -0.15 0.08 -1.46 0.00 0.00 175.22 173.18 3gas s VAL 221 N 0.63 1.63 -0.03 3.12 1.01 -0.27 -0.30 120.40 126.20 3gas s VAL 221 Ca -0.10 -0.68 0.00 0.00 0.00 0.00 0.00 61.98 61.20 3gas s VAL 221 Cb -0.16 -1.51 -0.00 0.00 0.00 0.00 0.00 36.38 34.71 3gas s VAL 221 CO 0.02 0.47 0.27 2.29 0.00 0.00 0.00 175.10 178.15 3gas n LYS 222 N 4.64 2.84 -3.74 2.72 2.85 -0.78 -2.09 118.16 124.60 3gas n LYS 222 Ca -0.18 -0.27 0.03 0.00 -1.05 0.00 0.00 58.31 56.84 3gas n LYS 222 Cb 0.50 -0.77 0.00 0.00 -0.65 0.00 0.00 35.03 34.12 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 -0.51 -0.34 0.11 2.58 0.00 -1.24 -4.91 107.32 103.00 3gas s GLY 223 Ca 0.00 0.53 -0.31 0.00 0.00 0.00 0.00 44.72 44.94 3gas s GLY 223 CO 0.01 2.29 1.44 -1.36 0.00 0.00 0.00 173.10 175.48 3gas s PHE 224 N -2.17 3.11 -1.31 1.90 0.08 -1.26 -1.54 117.98 116.79 3gas s PHE 224 Ca 0.20 0.84 0.00 0.00 0.12 0.00 0.00 56.93 58.09 3gas s PHE 224 Cb 0.04 -3.74 0.00 0.00 -0.57 0.00 0.00 43.02 38.74 3gas s PHE 224 CO -0.04 -2.68 0.00 0.41 -0.10 0.00 0.00 175.22 172.82 3gas n GLY 225 N 3.59 1.02 2.35 4.36 0.00 -1.26 -4.92 105.19 110.33 3gas n GLY 225 Ca 0.12 -0.41 -0.23 0.00 0.00 0.00 0.00 46.02 45.50 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 -2.54 1.52 -4.46 1.61 6.02 -0.59 -4.86 117.38 114.09 3gas n GLN 226 Ca -0.13 -3.80 -0.32 0.00 -0.01 0.00 0.00 57.00 52.74 3gas n GLN 226 Cb 0.47 -1.71 -0.10 0.00 1.02 0.00 0.00 30.24 29.92 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 -2.12 3.01 0.01 -1.58 0.00 -1.26 -1.86 121.76 117.97 3gas s ALA 227 Ca 0.39 -1.02 0.01 0.00 0.00 0.00 0.00 51.96 51.34 3gas s ALA 227 Cb 0.23 -1.12 -0.01 0.00 0.00 0.00 0.00 23.12 22.22 3gas s ALA 227 CO -0.09 0.61 -0.04 0.71 0.00 0.00 0.00 175.76 176.96 3gas s TYR 228 N -1.00 0.36 0.05 0.00 2.02 0.59 -1.28 117.35 118.10 3gas s TYR 228 Ca 0.17 -0.27 -0.05 0.00 -0.37 0.00 0.00 57.07 56.55 3gas s TYR 228 Cb -0.11 -0.23 -0.05 0.00 -0.40 0.00 0.00 41.96 41.17 3gas s TYR 228 CO 0.07 -0.07 0.27 -0.51 -1.57 0.00 0.00 175.55 173.75 3gas s ASP 229 N -0.77 6.46 -0.01 2.29 1.01 0.46 -0.91 116.67 125.19 3gas s ASP 229 Ca -0.06 0.49 0.02 0.00 0.71 0.00 0.00 52.55 53.72 3gas s ASP 229 Cb -0.05 -2.06 -0.00 0.00 1.01 0.00 0.00 42.92 41.82 3gas s ASP 229 CO -0.00 0.19 -0.08 -0.63 0.21 0.00 0.00 175.17 174.86 3gas s ILE 230 N -1.42 0.65 -0.18 0.77 1.01 0.19 -0.89 121.20 121.32 3gas s ILE 230 Ca 0.32 -0.33 -0.05 0.00 0.00 0.00 0.00 60.65 60.59 3gas s ILE 230 Cb -0.13 -0.55 0.09 0.00 0.01 0.00 0.00 42.46 41.88 3gas s ILE 230 CO 0.21 0.19 0.33 -0.22 0.00 0.00 0.00 174.94 175.45 3gas s LEU 231 N -0.08 -0.46 0.00 2.97 2.96 -0.08 0.02 118.68 124.01 3gas s LEU 231 Ca 0.02 0.57 0.00 0.00 -0.22 0.00 0.00 54.13 54.49 3gas s LEU 231 Cb -0.04 0.96 0.00 0.00 0.50 0.00 0.00 46.19 47.61 3gas s LEU 231 CO -0.00 -0.26 0.00 0.61 -1.32 0.00 0.00 176.35 175.38 3gas n GLY 232 N 5.36 3.65 0.97 7.98 0.00 -1.26 -0.98 105.19 120.92 3gas n GLY 232 Ca -0.06 -0.08 0.10 0.00 0.00 0.00 0.00 46.02 45.97 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 5.16 2.86 -4.80 1.61 3.85 -1.26 -4.92 116.55 119.06 3gas n ASP 233 Ca 0.00 -1.94 -0.37 0.00 -0.71 0.00 0.00 54.79 51.77 3gas n ASP 233 Cb 0.00 -0.28 -0.07 0.00 -1.35 0.00 0.00 41.12 39.42 3gas n ASP 233 CO 0.00 0.00 0.00 -0.75 -1.01 0.00 0.00 177.20 175.44 3gas s LYS 234 N -1.43 3.92 0.01 0.11 2.20 -0.15 -5.09 119.74 119.30 3gas s LYS 234 Ca 0.37 0.01 0.06 0.00 -0.36 0.00 0.00 55.97 56.05 3gas s LYS 234 Cb 0.20 -3.31 -0.02 0.00 -1.51 0.00 0.00 37.83 33.19 3gas s LYS 234 CO 0.27 0.50 -0.17 0.42 -0.36 0.00 0.00 175.35 176.01 3gas s ILE 235 N -0.31 1.39 -0.01 5.43 1.01 -1.26 -0.90 121.20 126.55 3gas s ILE 235 Ca 0.16 -0.89 -0.01 0.00 0.00 0.00 0.00 60.65 59.91 3gas s ILE 235 Cb -0.13 -1.18 0.01 0.00 0.01 0.00 0.00 42.46 41.17 3gas s ILE 235 CO 0.04 0.28 0.03 0.00 0.00 0.00 0.00 174.94 175.29 3gas s ALA 236 N -0.57 -0.03 0.29 9.38 0.00 -0.07 -4.98 121.76 125.78 3gas s ALA 236 Ca 0.06 0.12 -0.29 0.00 0.00 0.00 0.00 51.96 51.85 3gas s ALA 236 Cb -0.07 -0.08 -0.10 0.00 0.00 0.00 0.00 23.12 22.87 3gas s ALA 236 CO 0.00 -0.03 1.17 -0.47 0.00 0.00 0.00 175.76 176.43 3gas s TYR 237 N 0.24 3.42 -0.16 0.00 5.04 -1.26 -0.40 117.35 124.22 3gas s TYR 237 Ca -0.02 1.60 0.19 0.00 -2.44 0.00 0.00 57.07 56.40 3gas s TYR 237 Cb -0.03 -3.41 -0.09 0.00 0.35 0.00 0.00 41.96 38.78 3gas s TYR 237 CO -0.01 -0.97 0.90 0.28 -1.34 0.00 0.00 175.55 174.41 3gas h VAL 238 N 3.11 0.34 -1.20 3.14 2.07 -1.55 -3.42 116.25 118.75 3gas h VAL 238 Ca -0.47 -1.68 -0.70 0.00 0.82 0.00 0.00 66.70 64.67 3gas h VAL 238 Cb 1.22 1.87 -0.29 0.00 -1.52 0.00 0.00 31.29 32.57 3gas h VAL 238 CO 0.67 0.19 0.91 0.61 0.02 0.00 0.00 177.57 179.97 3gas n GLY 239 N 1.33 5.81 0.32 2.17 0.00 -1.26 -4.66 105.19 108.90 3gas n GLY 239 Ca -0.06 -2.35 0.16 0.00 0.00 0.00 0.00 46.02 43.77 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 2.20 0.00 -0.30 1.61 3.32 -1.98 0.33 116.42 121.60 3gas h ASP 240 Ca 0.60 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.65 3gas h ASP 240 Cb 0.65 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.20 3gas h ASP 240 CO 1.56 0.00 0.00 0.29 -1.72 0.00 0.00 179.24 179.37 3gas n LYS 241 N -3.79 1.79 -0.39 3.56 5.02 -1.26 -5.04 118.16 118.05 3gas n LYS 241 Ca -0.01 -1.22 0.05 0.00 -2.02 0.00 0.00 58.31 55.12 3gas n LYS 241 Cb 0.20 -1.31 -0.01 0.00 -0.02 0.00 0.00 35.03 33.89 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 1.08 -1.90 2.67 0.72 0.00 0.10 -4.83 105.19 103.04 3gas n GLY 242 Ca 0.13 -1.32 -0.49 0.00 0.00 0.00 0.00 46.02 44.34 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 -1.77 0.66 -0.06 1.61 2.85 -0.62 -4.84 115.26 113.09 3gas n ASN 243 Ca 0.00 0.61 0.12 0.00 -0.11 0.00 0.00 54.58 55.20 3gas n ASN 243 Cb 0.18 -0.72 0.28 0.00 1.24 0.00 0.00 39.78 40.75 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 5.61 0.22 -1.27 1.20 -0.04 -1.26 -4.60 135.00 134.86 3gas n PRO 244 Ca 0.41 -0.13 -0.29 0.00 -0.04 0.00 0.00 63.50 63.45 3gas n PRO 244 Cb -0.03 -1.50 0.14 0.00 -0.04 0.00 0.00 33.50 32.07 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 -2.87 2.34 -1.58 0.54 3.76 -1.26 -3.42 115.29 112.80 3gas s HIS 245 Ca 0.14 1.13 -0.02 0.00 -0.15 0.00 0.00 55.06 56.17 3gas s HIS 245 Cb 0.18 -3.20 0.01 0.00 1.11 0.00 0.00 32.58 30.67 3gas s HIS 245 CO 0.66 -2.46 0.17 0.09 -0.85 0.00 0.00 174.74 172.35 3gas n ASN 246 N -3.90 -5.51 -3.53 1.40 3.02 -1.26 -2.52 115.26 102.96 3gas n ASN 246 Ca 0.06 -0.06 -0.26 0.00 -0.03 0.00 0.00 54.58 54.29 3gas n ASN 246 Cb 0.56 -4.56 0.02 0.00 -0.61 0.00 0.00 39.78 35.19 3gas n ASN 246 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 3gas n PHE 247 N -4.02 -2.08 0.00 3.10 3.72 -1.24 -5.26 117.46 111.68 3gas n PHE 247 Ca -0.19 0.68 0.00 0.00 -0.05 0.00 0.00 57.45 57.90 3gas n PHE 247 Cb 0.65 -3.77 0.00 0.00 -0.94 0.00 0.00 39.48 35.42 3gas n PHE 247 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71