#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 0.33 -0.65 1.96 -0.00 -1.98 0.88 115.58 116.13 3gas h ASN 3 Ca 0.00 0.09 0.04 0.00 -0.00 0.00 0.00 56.30 56.43 3gas h ASN 3 Cb 0.00 0.05 -0.05 0.00 -0.00 0.00 0.00 38.32 38.32 3gas h ASN 3 CO 0.00 0.16 0.38 -0.09 -0.00 0.00 0.00 177.43 177.88 3gas h ARG 4 N 0.49 0.70 -0.33 6.67 2.43 -2.05 0.34 114.38 122.63 3gas h ARG 4 Ca 0.38 -0.04 -0.07 0.00 -0.81 0.00 0.00 59.98 59.44 3gas h ARG 4 Cb 0.51 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 29.89 3gas h ARG 4 CO -0.35 0.46 -0.06 0.82 -1.51 0.00 0.00 179.97 179.34 3gas h ILE 5 N 0.72 1.28 -0.80 1.20 2.04 -1.63 -2.43 117.51 117.89 3gas h ILE 5 Ca 0.28 -1.09 0.04 0.00 1.00 0.00 0.00 64.86 65.08 3gas h ILE 5 Cb 0.11 1.32 -0.05 0.00 -0.74 0.00 0.00 36.82 37.46 3gas h ILE 5 CO -0.14 0.36 0.50 0.40 0.00 0.00 0.00 178.15 179.26 3gas h ILE 6 N 0.40 1.09 -0.29 -0.67 2.04 -0.36 -2.62 117.51 117.11 3gas h ILE 6 Ca 0.08 -0.33 -0.03 0.00 1.00 0.00 0.00 64.86 65.58 3gas h ILE 6 Cb 0.55 0.05 -0.01 0.00 -0.74 0.00 0.00 36.82 36.67 3gas h ILE 6 CO 0.03 0.18 0.05 -0.33 0.00 0.00 0.00 178.15 178.07 3gas h GLU 7 N 0.96 0.48 -0.00 2.37 4.39 -0.87 -1.08 114.58 120.82 3gas h GLU 7 Ca 0.33 -0.13 0.00 0.00 0.34 0.00 0.00 59.36 59.90 3gas h GLU 7 Cb 0.06 -0.06 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 3gas h GLU 7 CO -0.13 0.58 0.00 1.58 -1.16 0.00 0.00 179.01 179.88 3gas n HIS 8 N -4.65 0.00 0.00 4.33 -0.00 -0.92 -1.21 115.22 112.77 3gas n HIS 8 Ca -0.03 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.15 3gas n HIS 8 Cb 0.21 -0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.08 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 0.26 0.00 -0.01 0.26 3.02 -0.41 -1.27 115.26 117.11 3gas n ASN 10 Ca 0.00 0.00 -0.12 0.00 -0.03 0.00 0.00 54.58 54.43 3gas n ASN 10 Cb 0.00 0.00 -0.14 0.00 -0.61 0.00 0.00 39.78 39.03 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 1.33 -0.13 5.41 0.00 -0.35 -4.57 120.51 122.20 3gas n ALA 11 Ca 0.00 -0.72 0.00 0.00 0.00 0.00 0.00 53.44 52.72 3gas n ALA 11 Cb 0.00 -0.81 0.00 0.00 0.00 0.00 0.00 19.45 18.64 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 -3.17 0.00 -2.18 0.00 8.25 -0.39 -4.83 115.22 112.90 3gas n HIS 12 Ca -0.21 -0.03 0.04 0.00 -0.26 0.00 0.00 57.72 57.26 3gas n HIS 12 Cb 1.05 -0.00 0.05 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 -0.03 0.00 -0.20 4.41 8.25 -1.26 -4.85 115.22 121.54 3gas n HIS 13 Ca 0.00 -0.58 -0.09 0.00 -0.26 0.00 0.00 57.72 56.78 3gas n HIS 13 Cb 0.05 -0.15 0.02 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 5.67 1.27 -0.61 1.59 2.07 -1.88 -2.79 116.25 121.57 3gas h VAL 14 Ca -0.13 -1.17 -0.10 0.00 0.82 0.00 0.00 66.70 66.12 3gas h VAL 14 Cb 1.61 0.85 -0.02 0.00 -1.52 0.00 0.00 31.29 32.21 3gas h VAL 14 CO 0.06 0.42 0.01 -0.33 0.02 0.00 0.00 177.57 177.75 3gas h GLU 15 N 0.94 1.08 -1.52 1.57 4.39 -1.97 -1.95 114.58 117.12 3gas h GLU 15 Ca 0.16 -0.34 0.00 0.00 0.34 0.00 0.00 59.36 59.52 3gas h GLU 15 Cb 0.58 -0.10 0.00 0.00 -0.10 0.00 0.00 28.75 29.13 3gas h GLU 15 CO 0.03 1.05 0.00 -0.25 -1.16 0.00 0.00 179.01 178.68 3gas n ASP 16 N -4.19 0.11 0.00 1.42 8.00 -1.05 -1.43 116.55 119.41 3gas n ASP 16 Ca 0.03 -0.08 0.00 0.00 0.71 0.00 0.00 54.79 55.45 3gas n ASP 16 Cb 0.35 -0.02 0.00 0.00 -0.02 0.00 0.00 41.12 41.42 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 0.86 0.00 -0.32 -1.24 5.02 -0.73 -1.12 118.16 120.63 3gas n LYS 18 Ca 0.00 0.00 -0.02 0.00 -2.02 0.00 0.00 58.31 56.27 3gas n LYS 18 Cb 0.02 0.00 0.14 0.00 -0.02 0.00 0.00 35.03 35.16 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 1.30 0.96 0.72 0.00 -1.51 -1.15 103.07 103.39 3gas h GLY 19 Ca 0.00 -0.53 -0.10 0.00 0.00 0.00 0.00 47.33 46.70 3gas h GLY 19 CO 0.00 0.51 -0.19 1.41 0.00 0.00 0.00 176.54 178.27 3gas h LEU 20 N 1.24 0.73 -0.55 3.11 3.38 -1.40 -0.44 115.31 121.38 3gas h LEU 20 Ca 0.33 -0.42 0.04 0.00 0.09 0.00 0.00 57.88 57.91 3gas h LEU 20 Cb -0.07 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 40.43 3gas h LEU 20 CO -0.06 0.99 0.30 -0.07 0.09 0.00 0.00 178.44 179.69 3gas h LEU 21 N 0.46 0.46 -0.15 1.67 3.38 -1.74 -0.16 115.31 119.23 3gas h LEU 21 Ca 0.07 0.02 -0.06 0.00 0.09 0.00 0.00 57.88 58.00 3gas h LEU 21 Cb 0.74 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.41 3gas h LEU 21 CO 0.05 0.32 -0.13 0.50 0.09 0.00 0.00 178.44 179.27 3gas h LYS 22 N 0.59 0.36 0.33 1.13 3.64 -1.12 -0.72 116.57 120.77 3gas h LYS 22 Ca 0.23 -0.18 -0.02 0.00 -1.27 0.00 0.00 60.65 59.42 3gas h LYS 22 Cb 0.10 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.92 3gas h LYS 22 CO -0.14 0.72 -0.16 -0.22 -2.27 0.00 0.00 179.45 177.39 3gas h LYS 23 N 0.00 -0.43 0.00 1.90 3.64 -0.91 -2.02 116.57 118.76 3gas h LYS 23 Ca 0.03 0.03 -0.07 0.00 -1.27 0.00 0.00 60.65 59.37 3gas h LYS 23 Cb 0.65 0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.55 3gas h LYS 23 CO 0.03 -0.12 -1.10 0.74 -2.27 0.00 0.00 179.45 176.73 3gas h PHE 24 N -0.75 0.00 -0.00 1.91 0.04 -1.16 -2.42 116.94 114.55 3gas h PHE 24 Ca -0.05 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.72 3gas h PHE 24 Cb 0.50 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.65 3gas h PHE 24 CO 0.02 0.23 -0.27 0.41 -0.60 0.00 0.00 178.31 178.10 3gas n GLY 25 N 1.26 0.02 2.94 -1.45 0.00 -0.34 -4.93 105.19 102.69 3gas n GLY 25 Ca -0.03 -0.24 -0.22 0.00 0.00 0.00 0.00 46.02 45.53 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 -0.71 -4.06 -3.37 1.61 1.13 -0.76 -4.93 117.38 106.29 3gas n GLN 26 Ca 0.03 0.85 -0.45 0.00 -1.94 0.00 0.00 57.00 55.49 3gas n GLN 26 Cb 0.15 -5.65 -0.07 0.00 0.11 0.00 0.00 30.24 24.78 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 -3.09 5.22 -0.11 5.09 1.01 -0.80 -4.94 120.40 122.77 3gas s VAL 27 Ca 0.25 -1.18 0.20 0.00 0.00 0.00 0.00 61.98 61.26 3gas s VAL 27 Cb -0.12 -4.17 -0.25 0.00 0.00 0.00 0.00 36.38 31.84 3gas s VAL 27 CO 0.31 -0.65 0.45 1.41 0.00 0.00 0.00 175.10 176.62 3gas n HIS 28 N 5.21 0.24 -2.76 5.22 8.25 -1.26 -3.00 115.22 127.11 3gas n HIS 28 Ca -0.13 0.08 -0.26 0.00 -0.26 0.00 0.00 57.72 57.15 3gas n HIS 28 Cb 0.43 -0.79 -0.02 0.00 1.12 0.00 0.00 29.99 30.72 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 -2.55 3.48 -3.11 4.41 8.25 -1.26 -5.04 115.22 119.39 3gas n HIS 29 Ca -0.14 -3.59 -0.38 0.00 -0.26 0.00 0.00 57.72 53.35 3gas n HIS 29 Cb 0.80 -0.32 -0.06 0.00 1.12 0.00 0.00 29.99 31.53 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 -3.43 3.47 0.36 -1.41 0.00 -1.26 -5.02 121.76 114.47 3gas s ALA 30 Ca 0.47 0.19 0.05 0.00 0.00 0.00 0.00 51.96 52.66 3gas s ALA 30 Cb 0.34 -2.81 -0.07 0.00 0.00 0.00 0.00 23.12 20.58 3gas s ALA 30 CO -0.15 0.34 0.05 -1.21 0.00 0.00 0.00 175.76 174.79 3gas s GLU 31 N -1.53 1.77 -1.44 0.00 2.02 -1.26 -4.82 118.70 113.44 3gas s GLU 31 Ca 0.37 -2.00 -0.07 0.00 0.02 0.00 0.00 54.97 53.30 3gas s GLU 31 Cb -0.19 -1.10 0.05 0.00 0.10 0.00 0.00 34.13 32.98 3gas s GLU 31 CO 0.22 -0.17 0.76 -1.71 0.02 0.00 0.00 175.26 174.38 3gas n ASN 32 N -0.81 -2.50 -4.69 -0.19 5.15 -1.26 0.11 115.26 111.07 3gas n ASN 32 Ca -0.04 -0.86 -0.42 0.00 -0.60 0.00 0.00 54.58 52.66 3gas n ASN 32 Cb 0.67 -3.70 -0.03 0.00 -0.53 0.00 0.00 39.78 36.20 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 -3.56 4.67 0.01 3.44 1.01 -1.26 -3.96 120.40 120.75 3gas s VAL 33 Ca 0.31 1.95 -0.17 0.00 0.00 0.00 0.00 61.98 64.06 3gas s VAL 33 Cb -0.16 -4.25 0.03 0.00 0.00 0.00 0.00 36.38 32.00 3gas s VAL 33 CO 0.84 -0.01 0.37 0.00 0.00 0.00 0.00 175.10 176.31 3gas s ALA 34 N 2.11 -0.92 0.02 5.51 0.00 -0.73 -5.01 121.76 122.75 3gas s ALA 34 Ca 0.50 0.35 -0.30 0.00 0.00 0.00 0.00 51.96 52.50 3gas s ALA 34 Cb -0.19 0.19 -0.05 0.00 0.00 0.00 0.00 23.12 23.07 3gas s ALA 34 CO 0.18 -0.36 1.26 0.12 0.00 0.00 0.00 175.76 176.96 3gas s PHE 35 N -1.88 3.23 -0.24 0.00 5.36 -1.26 -0.82 117.98 122.38 3gas s PHE 35 Ca -0.09 1.15 -0.07 0.00 -0.96 0.00 0.00 56.93 56.95 3gas s PHE 35 Cb -0.03 -3.49 -0.12 0.00 -0.34 0.00 0.00 43.02 39.04 3gas s PHE 35 CO 0.01 -1.62 -0.27 1.17 -1.46 0.00 0.00 175.22 173.06 3gas n LYS 36 N 4.58 0.53 -3.61 10.12 4.81 -0.30 -4.85 118.16 129.44 3gas n LYS 36 Ca 0.11 0.19 -0.06 0.00 -0.87 0.00 0.00 58.31 57.67 3gas n LYS 36 Cb 0.45 -1.39 -0.02 0.00 0.02 0.00 0.00 35.03 34.10 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 -6.83 -0.29 -0.00 3.14 1.04 -1.01 -4.98 113.70 104.78 3gas s SER 37 Ca -0.33 -0.18 -0.00 0.00 0.48 0.00 0.00 55.95 55.92 3gas s SER 37 Cb 0.11 0.44 -0.00 0.00 0.10 0.00 0.00 66.02 66.67 3gas s SER 37 CO 0.46 -0.76 0.01 0.54 0.98 0.00 0.00 173.24 174.46 3gas s VAL 38 N -3.22 0.02 0.25 5.02 0.11 -1.26 -0.42 120.40 120.90 3gas s VAL 38 Ca 0.08 -0.13 0.05 0.00 -2.93 0.00 0.00 61.98 59.05 3gas s VAL 38 Cb -0.01 -0.06 -0.02 0.00 -1.53 0.00 0.00 36.38 34.76 3gas s VAL 38 CO -0.04 -0.07 0.19 -0.90 -3.33 0.00 0.00 175.10 170.95 3gas n ASP 39 N 2.85 -0.25 0.31 3.54 5.75 -0.24 -5.01 116.55 123.49 3gas n ASP 39 Ca -0.14 -2.59 0.19 0.00 -0.01 0.00 0.00 54.79 52.24 3gas n ASP 39 Cb 0.59 1.14 1.03 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 1.44 0.00 -0.01 -1.12 4.64 -2.00 -3.03 113.55 113.47 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 0.87 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.96 3gas h SER 40 CO 0.27 0.00 -0.23 0.00 -0.87 0.00 0.00 176.83 176.00 3gas n GLN 41 N -3.44 2.42 -3.38 4.77 6.02 -1.26 -0.34 117.38 122.17 3gas n GLN 41 Ca -0.02 -0.49 0.00 0.00 -0.01 0.00 0.00 57.00 56.47 3gas n GLN 41 Cb 0.13 -1.04 0.00 0.00 1.02 0.00 0.00 30.24 30.36 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 0.91 -1.53 3.50 1.08 0.00 -1.15 -1.00 105.19 107.01 3gas n GLY 42 Ca 0.04 -1.04 -0.25 0.00 0.00 0.00 0.00 46.02 44.77 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 -2.52 2.17 -0.06 -0.61 -4.36 -0.41 -1.08 121.20 114.32 3gas s ILE 43 Ca 0.00 -2.23 0.01 0.00 -0.26 0.00 0.00 60.65 58.17 3gas s ILE 43 Cb 0.00 -2.53 0.02 0.00 1.25 0.00 0.00 42.46 41.20 3gas s ILE 43 CO 0.00 -0.27 -0.07 -0.69 0.24 0.00 0.00 174.94 174.15 3gas s VAL 44 N -2.67 0.78 -0.16 8.37 1.01 0.44 -1.16 120.40 127.01 3gas s VAL 44 Ca 0.31 -0.23 -0.03 0.00 0.00 0.00 0.00 61.98 62.03 3gas s VAL 44 Cb 0.01 -0.78 -0.02 0.00 0.00 0.00 0.00 36.38 35.59 3gas s VAL 44 CO 0.15 0.29 -0.06 -0.63 0.00 0.00 0.00 175.10 174.85 3gas s ILE 45 N 1.05 3.68 0.13 2.22 1.01 -0.18 -1.15 121.20 127.97 3gas s ILE 45 Ca -0.08 -0.43 -0.04 0.00 0.00 0.00 0.00 60.65 60.09 3gas s ILE 45 Cb -0.14 -2.61 -0.05 0.00 0.01 0.00 0.00 42.46 39.67 3gas s ILE 45 CO -0.00 0.49 0.35 -0.83 0.00 0.00 0.00 174.94 174.95 3gas s GLY 46 N 0.46 2.23 0.15 6.18 0.00 0.00 -0.82 107.32 115.53 3gas s GLY 46 Ca -0.05 -0.60 -0.18 0.00 0.00 0.00 0.00 44.72 43.90 3gas s GLY 46 CO 0.03 -0.53 0.47 -2.52 0.00 0.00 0.00 173.10 170.56 3gas s TYR 47 N -1.64 -0.23 0.00 1.90 -0.85 0.01 -1.78 117.35 114.76 3gas s TYR 47 Ca 0.40 -0.08 0.00 0.00 -0.52 0.00 0.00 57.07 56.88 3gas s TYR 47 Cb -0.12 0.35 0.00 0.00 0.38 0.00 0.00 41.96 42.57 3gas s TYR 47 CO 0.25 -0.80 0.00 0.09 -1.52 0.00 0.00 175.55 173.57 3gas n ASN 48 N -0.29 -0.49 -0.04 -0.18 3.02 0.29 -1.92 115.26 115.66 3gas n ASN 48 Ca -0.14 0.00 -0.14 0.00 -0.03 0.00 0.00 54.58 54.26 3gas n ASN 48 Cb 0.64 0.00 -0.09 0.00 -0.61 0.00 0.00 39.78 39.72 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 5.61 0.41 0.00 6.41 2.35 -1.93 -3.42 115.58 125.01 3gas h ASN 49 Ca 0.00 -0.60 -0.10 0.00 -0.55 0.00 0.00 56.30 55.06 3gas h ASN 49 Cb 0.00 -0.12 -0.17 0.00 0.05 0.00 0.00 38.32 38.08 3gas h ASN 49 CO 0.00 0.93 -0.54 0.59 -1.65 0.00 0.00 177.43 176.76 3gas n ASN 50 N -4.46 0.06 -4.88 5.81 3.02 -1.25 -5.13 115.26 108.43 3gas n ASN 50 Ca -0.08 -1.83 -0.21 0.00 -0.03 0.00 0.00 54.58 52.43 3gas n ASN 50 Cb 0.46 -0.06 -0.03 0.00 -0.61 0.00 0.00 39.78 39.54 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 0.00 3.08 0.08 3.52 -0.21 -0.81 -4.99 119.66 120.33 3gas s GLN 51 Ca 0.12 -0.98 -0.09 0.00 0.02 0.00 0.00 55.36 54.42 3gas s GLN 51 Cb 0.13 -2.67 0.00 0.00 1.00 0.00 0.00 33.01 31.47 3gas s GLN 51 CO -0.06 0.36 0.20 0.95 -2.12 0.00 0.00 175.29 174.62 3gas s THR 52 N -2.11 0.13 -0.07 -0.19 -4.23 -1.26 -0.81 115.64 107.11 3gas s THR 52 Ca 0.35 -1.09 0.01 0.00 -1.18 0.00 0.00 61.69 59.78 3gas s THR 52 Cb -0.08 -1.22 0.02 0.00 1.34 0.00 0.00 72.50 72.56 3gas s THR 52 CO 0.27 -0.60 -0.08 -0.22 -0.54 0.00 0.00 174.62 173.45 3gas s LEU 53 N -2.65 1.38 -0.11 4.79 2.96 -0.00 -4.97 118.68 120.08 3gas s LEU 53 Ca 0.02 -0.23 -0.11 0.00 -0.22 0.00 0.00 54.13 53.59 3gas s LEU 53 Cb 0.03 -0.68 -0.05 0.00 0.50 0.00 0.00 46.19 46.00 3gas s LEU 53 CO -0.09 -0.04 0.24 -0.60 -1.32 0.00 0.00 176.35 174.54 3gas s ARG 54 N 1.03 3.86 -0.13 1.98 3.52 -1.26 -1.01 118.95 126.95 3gas s ARG 54 Ca -0.08 0.04 0.00 0.00 -0.13 0.00 0.00 55.73 55.55 3gas s ARG 54 Cb -0.14 -3.29 0.02 0.00 -1.56 0.00 0.00 34.95 29.98 3gas s ARG 54 CO -0.00 0.56 -0.11 0.42 -0.81 0.00 0.00 175.30 175.35 3gas s ILE 55 N -0.47 1.29 0.33 4.11 1.01 -0.31 -5.00 121.20 122.18 3gas s ILE 55 Ca 0.16 -0.46 -0.24 0.00 0.00 0.00 0.00 60.65 60.11 3gas s ILE 55 Cb -0.13 -1.25 -0.10 0.00 0.01 0.00 0.00 42.46 40.99 3gas s ILE 55 CO 0.05 0.41 0.91 -1.61 0.00 0.00 0.00 174.94 174.70 3gas s GLU 56 N 1.52 4.44 0.76 2.79 2.02 -1.26 -1.29 118.70 127.68 3gas s GLU 56 Ca 0.03 1.20 -0.11 0.00 0.02 0.00 0.00 54.97 56.12 3gas s GLU 56 Cb -0.13 -2.66 0.05 0.00 0.10 0.00 0.00 34.13 31.49 3gas s GLU 56 CO -0.08 0.22 1.08 -0.06 0.02 0.00 0.00 175.26 176.44 3gas s PHE 57 N -1.75 2.81 -2.10 1.61 0.08 -0.17 -4.93 117.98 113.54 3gas s PHE 57 Ca 0.52 1.39 0.17 0.00 0.12 0.00 0.00 56.93 59.14 3gas s PHE 57 Cb -0.16 -3.00 0.83 0.00 -0.57 0.00 0.00 43.02 40.12 3gas s PHE 57 CO 0.21 -1.63 1.56 0.27 -0.10 0.00 0.00 175.22 175.53 3gas n ASN 58 N -3.39 0.73 -3.45 1.36 0.23 -1.26 -4.83 115.26 104.65 3gas n ASN 58 Ca 0.08 -1.61 -0.11 0.00 -0.53 0.00 0.00 54.58 52.40 3gas n ASN 58 Cb 0.54 -0.05 -0.02 0.00 -2.08 0.00 0.00 39.78 38.16 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 -1.89 -0.50 0.05 -2.53 -3.43 -1.26 -4.30 115.29 101.42 3gas s HIS 59 Ca 0.27 0.35 -0.30 0.00 -0.80 0.00 0.00 55.06 54.58 3gas s HIS 59 Cb 0.13 0.54 -0.04 0.00 -1.43 0.00 0.00 32.58 31.79 3gas s HIS 59 CO 0.21 -0.76 0.99 -2.00 -2.00 0.00 0.00 174.74 171.18 3gas s GLU 60 N -3.42 4.60 -0.56 -0.38 2.12 -1.26 -4.83 118.70 114.97 3gas s GLU 60 Ca 0.01 1.46 -0.20 0.00 0.36 0.00 0.00 54.97 56.60 3gas s GLU 60 Cb -0.01 -3.42 0.08 0.00 0.26 0.00 0.00 34.13 31.04 3gas s GLU 60 CO -0.11 0.04 0.72 0.08 -0.54 0.00 0.00 175.26 175.45 3gas s VAL 61 N 0.61 4.75 0.43 3.70 1.01 0.54 -4.93 120.40 126.51 3gas s VAL 61 Ca 0.50 -0.62 0.22 0.00 0.00 0.00 0.00 61.98 62.09 3gas s VAL 61 Cb -0.23 -4.44 0.24 0.00 0.00 0.00 0.00 36.38 31.96 3gas s VAL 61 CO 0.29 -1.04 2.04 0.11 0.00 0.00 0.00 175.10 176.50 3gas h LYS 62 N 9.17 0.00 -4.92 2.72 1.79 -1.94 -3.41 116.57 119.98 3gas h LYS 62 Ca -0.28 0.00 -0.63 0.00 -2.18 0.00 0.00 60.65 57.56 3gas h LYS 62 Cb 1.09 0.00 -0.35 0.00 -1.58 0.00 0.00 32.23 31.39 3gas h LYS 62 CO 1.05 0.15 -0.85 0.34 -1.08 0.00 0.00 179.45 179.07 3gas s ASP 63 N -6.52 2.79 0.60 0.86 -1.08 -1.26 -5.01 116.67 107.05 3gas s ASP 63 Ca -0.03 -0.52 0.29 0.00 -0.52 0.00 0.00 52.55 51.76 3gas s ASP 63 Cb 0.14 -1.27 1.50 0.00 -1.46 0.00 0.00 42.92 41.83 3gas s ASP 63 CO 0.63 0.02 1.91 -0.65 0.52 0.00 0.00 175.17 177.61 3gas h PRO 64 N 7.57 0.00 0.00 4.34 0.11 -2.01 0.12 132.00 142.13 3gas h PRO 64 Ca -0.35 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.76 3gas h PRO 64 Cb 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 3gas h PRO 64 CO 0.54 0.00 0.00 0.36 -0.21 0.00 0.00 178.00 178.69 3gas n LYS 65 N -3.64 0.14 0.00 1.05 2.85 -1.26 -1.84 118.16 115.47 3gas n LYS 65 Ca 0.07 0.55 0.11 0.00 -1.05 0.00 0.00 58.31 57.98 3gas n LYS 65 Cb 0.61 -1.89 0.08 0.00 -0.65 0.00 0.00 35.03 33.18 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 -2.18 2.65 -0.32 -5.58 8.00 0.42 -4.50 116.55 115.03 3gas n ASP 66 Ca -0.00 -1.82 -0.00 0.00 0.71 0.00 0.00 54.79 53.67 3gas n ASP 66 Cb 0.10 0.07 0.13 0.00 -0.02 0.00 0.00 41.12 41.40 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 3.90 1.06 0.22 1.24 0.05 -1.48 -1.95 116.97 120.00 3gas h TYR 67 Ca 0.00 0.03 0.00 0.00 0.05 0.00 0.00 58.73 58.81 3gas h TYR 67 Cb 0.86 -0.35 -0.01 0.00 1.01 0.00 0.00 36.73 38.24 3gas h TYR 67 CO 0.00 0.58 -0.19 -0.22 -1.05 0.00 0.00 178.16 177.27 3gas h LYS 68 N 1.07 -0.42 -0.32 4.88 3.64 -1.79 0.34 116.57 123.97 3gas h LYS 68 Ca 0.37 0.03 -0.05 0.00 -1.27 0.00 0.00 60.65 59.73 3gas h LYS 68 Cb 0.08 0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 31.98 3gas h LYS 68 CO -0.14 -0.28 -0.03 -0.91 -2.27 0.00 0.00 179.45 175.82 3gas h ASN 69 N -0.43 0.47 -0.22 4.20 2.35 -1.82 0.11 115.58 120.23 3gas h ASN 69 Ca -0.01 -0.09 -0.16 0.00 -0.55 0.00 0.00 56.30 55.49 3gas h ASN 69 Cb 0.40 -0.12 -0.01 0.00 0.05 0.00 0.00 38.32 38.64 3gas h ASN 69 CO -0.03 0.56 -0.45 0.00 -1.65 0.00 0.00 177.43 175.86 3gas h ALA 70 N 1.50 0.63 -0.29 -0.83 0.00 -1.10 -0.24 119.26 118.93 3gas h ALA 70 Ca 0.10 -0.47 -0.07 0.00 0.00 0.00 0.00 54.91 54.47 3gas h ALA 70 Cb 0.35 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 3gas h ALA 70 CO 0.01 0.67 -0.10 1.15 0.00 0.00 0.00 179.25 180.99 3gas h THR 71 N 0.63 1.29 -0.87 0.00 2.02 -0.54 -1.68 112.91 113.76 3gas h THR 71 Ca 0.04 -1.15 -0.03 0.00 0.77 0.00 0.00 66.41 66.04 3gas h THR 71 Cb 1.02 1.44 -0.04 0.00 -1.74 0.00 0.00 68.15 68.83 3gas h THR 71 CO 0.10 0.37 0.44 0.40 0.37 0.00 0.00 175.52 177.19 3gas h ILE 72 N 0.33 1.26 -0.39 3.11 2.04 -0.87 -1.24 117.51 121.74 3gas h ILE 72 Ca 0.07 -0.70 0.01 0.00 1.00 0.00 0.00 64.86 65.24 3gas h ILE 72 Cb 0.59 0.13 -0.02 0.00 -0.74 0.00 0.00 36.82 36.78 3gas h ILE 72 CO 0.03 0.31 0.25 -0.08 0.00 0.00 0.00 178.15 178.66 3gas h GLU 73 N 1.23 0.49 -0.64 2.37 4.81 -0.86 -0.84 114.58 121.14 3gas h GLU 73 Ca 0.30 -0.03 0.01 0.00 -0.13 0.00 0.00 59.36 59.51 3gas h GLU 73 Cb 0.09 -0.11 -0.03 0.00 0.63 0.00 0.00 28.75 29.32 3gas h GLU 73 CO -0.04 0.32 0.42 1.25 -0.73 0.00 0.00 179.01 180.23 3gas h LEU 74 N 0.51 0.72 -0.36 1.64 5.85 -0.76 -1.00 115.31 121.91 3gas h LEU 74 Ca 0.15 -0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.84 3gas h LEU 74 Cb -0.04 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 40.80 3gas h LEU 74 CO -0.05 0.52 0.19 0.00 -0.34 0.00 0.00 178.44 178.77 3gas h GLN 76 N 0.45 0.00 0.00 0.00 4.20 -0.93 -3.12 115.11 115.72 3gas h GLN 76 Ca 0.13 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.83 3gas h GLN 76 Cb 0.08 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.86 3gas h GLN 76 CO -0.02 0.00 -0.03 0.66 -0.67 0.00 0.00 178.83 178.78 3gas h SER 77 N 0.00 0.00 0.15 1.46 4.64 -0.94 -1.35 113.55 117.51 3gas h SER 77 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3gas h SER 77 Cb 0.58 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.66 3gas h SER 77 CO 0.00 0.03 -0.13 0.58 -0.87 0.00 0.00 176.83 176.43 3gas h VAL 78 N 0.00 0.71 0.02 0.95 2.07 -1.68 -1.70 116.25 116.61 3gas h VAL 78 Ca -0.00 0.00 -0.23 0.00 0.82 0.00 0.00 66.70 67.29 3gas h VAL 78 Cb 0.05 0.71 0.00 0.00 -1.52 0.00 0.00 31.29 30.53 3gas h VAL 78 CO 0.00 0.00 -0.98 -0.08 0.02 0.00 0.00 177.57 176.53 3gas h GLU 79 N -0.30 0.41 0.00 1.57 4.57 -1.74 -3.23 114.58 115.86 3gas h GLU 79 Ca -0.00 -0.46 -0.01 0.00 -1.18 0.00 0.00 59.36 57.71 3gas h GLU 79 Cb 0.28 0.14 -0.00 0.00 -0.16 0.00 0.00 28.75 29.00 3gas h GLU 79 CO -0.02 1.13 -0.03 0.87 -1.18 0.00 0.00 179.01 179.77 3gas h LYS 80 N 0.22 0.00 -0.40 1.92 1.57 -1.11 -0.77 116.57 118.00 3gas h LYS 80 Ca -0.09 0.00 0.05 0.00 -1.87 0.00 0.00 60.65 58.74 3gas h LYS 80 Cb 1.62 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.91 3gas h LYS 80 CO 0.17 0.03 0.27 1.15 -0.57 0.00 0.00 179.45 180.50 3gas h THR 81 N 0.00 0.99 -0.28 -0.16 2.02 -1.32 -2.09 112.91 112.07 3gas h THR 81 Ca -0.00 -0.12 0.00 0.00 0.77 0.00 0.00 66.41 67.06 3gas h THR 81 Cb 0.14 0.60 0.00 0.00 -1.74 0.00 0.00 68.15 67.15 3gas h THR 81 CO 0.00 0.06 0.00 1.41 0.37 0.00 0.00 175.52 177.37 3gas n HIS 82 N -4.48 0.36 -2.80 3.16 8.25 -0.29 -4.66 115.22 114.75 3gas n HIS 82 Ca 0.05 -0.18 -0.43 0.00 -0.26 0.00 0.00 57.72 56.89 3gas n HIS 82 Cb 0.21 0.00 -0.00 0.00 1.12 0.00 0.00 29.99 31.32 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 -1.32 6.93 0.46 0.41 2.15 -0.79 -4.80 116.67 119.71 3gas s ASP 83 Ca 0.30 -2.65 0.14 0.00 0.43 0.00 0.00 52.55 50.78 3gas s ASP 83 Cb 0.16 -2.47 1.05 0.00 -0.30 0.00 0.00 42.92 41.36 3gas s ASP 83 CO 0.23 -0.96 2.03 -0.07 -0.17 0.00 0.00 175.17 176.23 3gas h LEU 84 N 10.89 0.01 -0.34 -1.34 3.38 -1.87 -1.69 115.31 124.35 3gas h LEU 84 Ca 0.34 -0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.27 3gas h LEU 84 Cb 0.89 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.63 3gas h LEU 84 CO 1.31 0.15 0.07 0.50 0.09 0.00 0.00 178.44 180.56 3gas h LYS 85 N 0.01 0.56 -0.70 1.13 3.64 -1.99 -0.53 116.57 118.68 3gas h LYS 85 Ca 0.00 -0.14 -0.06 0.00 -1.27 0.00 0.00 60.65 59.18 3gas h LYS 85 Cb 0.24 -0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 31.96 3gas h LYS 85 CO 0.02 0.63 0.19 0.78 -2.27 0.00 0.00 179.45 178.80 3gas h GLY 86 N 0.40 1.19 1.07 5.01 0.00 -1.83 -1.98 103.07 106.93 3gas h GLY 86 Ca 0.11 -0.72 -0.06 0.00 0.00 0.00 0.00 47.33 46.66 3gas h GLY 86 CO 0.00 0.67 0.25 -2.08 0.00 0.00 0.00 176.54 175.39 3gas h VAL 87 N 1.06 1.26 -0.93 4.60 2.07 -1.04 0.58 116.25 123.84 3gas h VAL 87 Ca 0.23 -0.89 -0.00 0.00 0.82 0.00 0.00 66.70 66.85 3gas h VAL 87 Cb 0.34 0.41 -0.05 0.00 -1.52 0.00 0.00 31.29 30.47 3gas h VAL 87 CO -0.00 0.36 0.58 -0.08 0.02 0.00 0.00 177.57 178.44 3gas h GLU 88 N 1.13 1.25 -0.53 1.57 4.81 -0.80 0.19 114.58 122.20 3gas h GLU 88 Ca 0.25 -0.10 -0.09 0.00 -0.13 0.00 0.00 59.36 59.29 3gas h GLU 88 Cb 0.29 -0.27 -0.02 0.00 0.63 0.00 0.00 28.75 29.38 3gas h GLU 88 CO -0.01 0.86 -0.01 0.93 -0.73 0.00 0.00 179.01 180.05 3gas h GLU 89 N 1.28 0.94 -0.45 1.92 5.08 -0.58 -2.26 114.58 120.52 3gas h GLU 89 Ca 0.34 -0.30 -0.02 0.00 -1.00 0.00 0.00 59.36 58.37 3gas h GLU 89 Cb -0.08 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.07 3gas h GLU 89 CO -0.07 0.96 0.21 0.93 -1.00 0.00 0.00 179.01 180.04 3gas h GLU 90 N 0.81 0.65 -0.42 2.33 5.08 0.07 -1.77 114.58 121.33 3gas h GLU 90 Ca 0.15 -0.10 0.05 0.00 -1.00 0.00 0.00 59.36 58.46 3gas h GLU 90 Cb 0.54 -0.11 -0.05 0.00 0.50 0.00 0.00 28.75 29.63 3gas h GLU 90 CO 0.03 0.57 0.15 0.28 -1.00 0.00 0.00 179.01 179.04 3gas h VAL 91 N 0.58 0.88 -0.22 3.13 2.07 -0.48 0.24 116.25 122.45 3gas h VAL 91 Ca 0.15 -0.11 0.00 0.00 0.82 0.00 0.00 66.70 67.56 3gas h VAL 91 Cb 0.14 0.53 -0.01 0.00 -1.52 0.00 0.00 31.29 30.42 3gas h VAL 91 CO -0.02 0.06 0.14 0.50 0.02 0.00 0.00 177.57 178.27 3gas h LYS 92 N 0.32 0.29 -0.18 1.57 3.64 -1.19 -2.06 116.57 118.96 3gas h LYS 92 Ca 0.20 -0.02 -0.09 0.00 -1.27 0.00 0.00 60.65 59.46 3gas h LYS 92 Cb 0.18 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 31.92 3gas h LYS 92 CO -0.20 0.20 -0.29 0.00 -2.27 0.00 0.00 179.45 176.89 3gas h ALA 93 N 1.07 1.18 -0.19 5.00 0.00 -1.07 -2.69 119.26 122.56 3gas h ALA 93 Ca 0.08 -0.35 -0.01 0.00 0.00 0.00 0.00 54.91 54.63 3gas h ALA 93 Cb -0.02 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 3gas h ALA 93 CO -0.02 0.53 0.08 0.35 0.00 0.00 0.00 179.25 180.20 3gas h PHE 94 N 0.30 0.28 -0.39 0.00 3.57 -0.10 -2.49 116.94 118.11 3gas h PHE 94 Ca 0.04 -0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.49 3gas h PHE 94 Cb 0.67 -0.09 -0.02 0.00 2.79 0.00 0.00 35.95 39.31 3gas h PHE 94 CO 0.02 0.32 0.10 0.87 -2.23 0.00 0.00 178.31 177.39 3gas h LYS 95 N 0.16 0.57 0.00 1.11 1.57 -1.31 -2.08 116.57 116.60 3gas h LYS 95 Ca 0.06 -0.09 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 3gas h LYS 95 Cb 0.15 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.37 3gas h LYS 95 CO -0.01 0.52 0.00 0.39 -0.57 0.00 0.00 179.45 179.78 3gas n GLU 96 N -4.34 0.17 -0.16 3.15 1.02 -1.02 -3.01 120.64 116.45 3gas n GLU 96 Ca 0.02 0.32 0.05 0.00 -0.02 0.00 0.00 57.16 57.53 3gas n GLU 96 Cb 0.18 -1.77 0.14 0.00 -0.02 0.00 0.00 31.44 29.97 3gas n GLU 96 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3gas n GLY 97 N 0.40 0.44 3.30 0.62 0.00 -0.78 -4.88 105.19 104.29 3gas n GLY 97 Ca 0.03 -0.33 -0.22 0.00 0.00 0.00 0.00 46.02 45.50 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 -1.59 1.73 -0.08 1.61 0.40 -1.16 -5.01 117.98 113.87 3gas s PHE 98 Ca 0.21 -0.46 0.12 0.00 -0.60 0.00 0.00 56.93 56.19 3gas s PHE 98 Cb 0.11 -0.90 0.19 0.00 0.51 0.00 0.00 43.02 42.92 3gas s PHE 98 CO 0.14 0.26 1.08 -0.25 0.70 0.00 0.00 175.22 177.14 3gas n ASP 99 N 0.60 1.95 -3.47 1.36 8.00 -1.26 -4.94 116.55 118.79 3gas n ASP 99 Ca -0.16 -2.66 -0.10 0.00 0.71 0.00 0.00 54.79 52.58 3gas n ASP 99 Cb 0.56 -0.29 -0.02 0.00 -0.02 0.00 0.00 41.12 41.34 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 -2.17 -0.47 0.11 -2.24 1.04 -1.26 -0.75 113.70 107.96 3gas s SER 100 Ca 0.20 -0.03 -0.04 0.00 0.48 0.00 0.00 55.95 56.56 3gas s SER 100 Cb 0.18 0.52 -0.03 0.00 0.10 0.00 0.00 66.02 66.79 3gas s SER 100 CO 0.02 -0.85 0.10 0.68 0.98 0.00 0.00 173.24 174.17 3gas s VAL 101 N -3.51 0.13 0.23 5.02 -7.23 -0.15 -4.77 120.40 110.12 3gas s VAL 101 Ca 0.03 -1.64 -0.03 0.00 -1.81 0.00 0.00 61.98 58.53 3gas s VAL 101 Cb -0.01 -1.73 -0.05 0.00 0.56 0.00 0.00 36.38 35.15 3gas s VAL 101 CO -0.10 -0.61 0.46 0.00 -0.31 0.00 0.00 175.10 174.53 3gas s LEU 103 N -3.35 2.23 -0.10 0.00 1.43 0.12 -4.42 118.68 114.58 3gas s LEU 103 Ca 0.41 -0.49 0.03 0.00 -1.03 0.00 0.00 54.13 53.05 3gas s LEU 103 Cb -0.11 -0.14 0.01 0.00 0.03 0.00 0.00 46.19 45.98 3gas s LEU 103 CO 0.29 -0.19 -0.20 0.00 0.23 0.00 0.00 176.35 176.48 3gas s ALA 104 N -1.25 1.97 0.20 4.21 0.00 -0.47 -1.24 121.76 125.18 3gas s ALA 104 Ca -0.09 -0.87 0.04 0.00 0.00 0.00 0.00 51.96 51.03 3gas s ALA 104 Cb -0.09 -0.81 -0.05 0.00 0.00 0.00 0.00 23.12 22.17 3gas s ALA 104 CO 0.00 0.14 -0.03 0.95 0.00 0.00 0.00 175.76 176.83 3gas s THR 105 N 0.58 1.02 -0.31 0.00 -4.23 -0.74 -1.95 115.64 110.01 3gas s THR 105 Ca -0.14 -2.03 -0.04 0.00 -1.18 0.00 0.00 61.69 58.30 3gas s THR 105 Cb -0.17 -2.18 0.04 0.00 1.34 0.00 0.00 72.50 71.54 3gas s THR 105 CO 0.04 -0.46 0.04 -0.22 -0.54 0.00 0.00 174.62 173.48 3gas s LEU 106 N -3.25 4.03 0.52 4.79 2.96 -1.26 -1.08 118.68 125.40 3gas s LEU 106 Ca 0.25 -1.19 -0.20 0.00 -0.22 0.00 0.00 54.13 52.76 3gas s LEU 106 Cb 0.05 -1.77 -0.07 0.00 0.50 0.00 0.00 46.19 44.90 3gas s LEU 106 CO 0.06 -0.28 1.12 -2.28 -1.32 0.00 0.00 176.35 173.65 3gas s HIS 107 N 1.32 2.76 0.57 5.38 5.65 -0.24 -4.17 115.29 126.56 3gas s HIS 107 Ca -0.04 1.55 0.27 0.00 0.25 0.00 0.00 55.06 57.09 3gas s HIS 107 Cb -0.19 -3.28 1.59 0.00 -1.18 0.00 0.00 32.58 29.52 3gas s HIS 107 CO 0.00 -1.46 2.12 -1.35 -0.65 0.00 0.00 174.74 173.41 3gas h PRO 108 N 1.43 0.00 0.00 2.88 0.11 -1.87 0.13 132.00 134.68 3gas h PRO 108 Ca -0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 3gas h PRO 108 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 3gas h PRO 108 CO 0.58 0.00 0.00 -0.91 -0.21 0.00 0.00 178.00 177.46 3gas h ASN 109 N 0.00 0.00 0.00 -2.05 -0.26 -1.99 -3.46 115.58 107.82 3gas h ASN 109 Ca 0.08 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.82 3gas h ASN 109 Cb 0.40 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.66 3gas h ASN 109 CO -0.00 0.00 0.00 0.61 -1.06 0.00 0.00 177.43 176.98 3gas n GLY 110 N -0.13 1.75 3.90 2.83 0.00 0.44 -5.10 105.19 108.89 3gas n GLY 110 Ca 0.01 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.74 3gas n GLY 110 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 3gas s HIS 111 N -2.17 3.47 0.50 1.61 -3.43 -1.25 -4.82 115.29 109.20 3gas s HIS 111 Ca 0.00 0.61 -0.12 0.00 -0.80 0.00 0.00 55.06 54.75 3gas s HIS 111 Cb 0.00 -2.07 -0.06 0.00 -1.43 0.00 0.00 32.58 29.02 3gas s HIS 111 CO 0.00 0.29 0.91 0.14 -2.00 0.00 0.00 174.74 174.08 3gas s VAL 112 N -1.89 4.68 -0.06 -5.38 -7.23 -1.26 -1.08 120.40 108.18 3gas s VAL 112 Ca 0.43 0.86 0.02 0.00 -1.81 0.00 0.00 61.98 61.49 3gas s VAL 112 Cb -0.11 -3.77 0.01 0.00 0.56 0.00 0.00 36.38 33.07 3gas s VAL 112 CO 0.27 -0.76 -0.12 -0.69 -0.31 0.00 0.00 175.10 173.48 3gas s VAL 113 N -2.69 1.14 -0.24 1.32 1.01 -0.24 -4.87 120.40 115.83 3gas s VAL 113 Ca 0.55 -0.49 -0.04 0.00 0.00 0.00 0.00 61.98 61.99 3gas s VAL 113 Cb -0.10 -1.03 -0.00 0.00 0.00 0.00 0.00 36.38 35.24 3gas s VAL 113 CO 0.38 0.35 -0.02 0.00 0.00 0.00 0.00 175.10 175.81 3gas n SER 115 N 4.80 -0.04 -3.93 0.00 3.41 -0.37 -4.99 113.62 112.51 3gas n SER 115 Ca -0.17 -1.07 -0.10 0.00 -0.26 0.00 0.00 58.87 57.27 3gas n SER 115 Cb 0.50 0.09 -0.09 0.00 -0.26 0.00 0.00 64.21 64.44 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 -4.32 0.19 0.03 7.33 -0.85 -1.26 0.15 117.35 118.62 3gas s TYR 116 Ca 0.01 -0.47 -0.06 0.00 -0.52 0.00 0.00 57.07 56.03 3gas s TYR 116 Cb -0.00 -0.14 -0.01 0.00 0.38 0.00 0.00 41.96 42.20 3gas s TYR 116 CO 0.01 -0.35 0.12 0.00 -1.52 0.00 0.00 175.55 173.81 3gas s ALA 117 N -2.43 -0.16 0.56 9.51 0.00 -0.29 -4.94 121.76 124.01 3gas s ALA 117 Ca -0.06 -0.44 -0.20 0.00 0.00 0.00 0.00 51.96 51.25 3gas s ALA 117 Cb -0.02 0.23 -0.04 0.00 0.00 0.00 0.00 23.12 23.29 3gas s ALA 117 CO -0.04 -0.31 1.27 -2.14 0.00 0.00 0.00 175.76 174.54 3gas s PRO 118 N -2.39 3.10 0.35 0.00 0.02 -1.26 -0.98 135.00 133.84 3gas s PRO 118 Ca -0.07 2.00 0.09 0.00 0.02 0.00 0.00 61.00 63.04 3gas s PRO 118 Cb -0.02 -2.11 -0.06 0.00 0.02 0.00 0.00 34.50 32.32 3gas s PRO 118 CO -0.03 -1.15 -0.05 -1.17 -0.33 0.00 0.00 177.00 174.26 3gas s LEU 119 N -3.75 2.82 0.00 -5.54 2.96 0.07 -2.72 118.68 112.52 3gas s LEU 119 Ca 0.74 -1.17 0.00 0.00 -0.22 0.00 0.00 54.13 53.48 3gas s LEU 119 Cb -0.35 -1.07 0.00 0.00 0.50 0.00 0.00 46.19 45.27 3gas s LEU 119 CO 0.39 -0.25 0.00 -1.54 -1.32 0.00 0.00 176.35 173.63 3gas n SER 121 N -0.86 0.00 -3.68 3.68 3.41 -1.26 -4.50 113.62 110.41 3gas n SER 121 Ca -0.05 0.00 -0.30 0.00 -0.26 0.00 0.00 58.87 58.27 3gas n SER 121 Cb 0.64 0.00 -0.15 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 3.84 1.73 4.04 2.15 -0.17 -4.71 116.67 123.54 3gas s ASP 122 Ca 0.00 -1.73 0.00 0.00 0.43 0.00 0.00 52.55 51.25 3gas s ASP 122 Cb 0.00 -0.77 0.00 0.00 -0.30 0.00 0.00 42.92 41.85 3gas s ASP 122 CO 0.00 -0.40 0.00 0.61 -0.17 0.00 0.00 175.17 175.21 3gas n GLY 123 N 4.72 2.83 0.01 2.66 0.00 -1.26 -1.90 105.19 112.25 3gas n GLY 123 Ca -0.01 -0.24 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 13.46 0.32 -3.16 1.61 5.02 -1.26 -4.79 118.16 129.36 3gas n LYS 124 Ca 0.00 -0.02 -0.40 0.00 -2.02 0.00 0.00 58.31 55.86 3gas n LYS 124 Cb 0.00 -1.50 -0.07 0.00 -0.02 0.00 0.00 35.03 33.44 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 -2.69 4.11 0.20 1.97 2.00 -0.80 -5.06 119.66 119.39 3gas s GLN 125 Ca 0.24 0.48 0.04 0.00 -2.00 0.00 0.00 55.36 54.12 3gas s GLN 125 Cb 0.20 -3.64 -0.03 0.00 0.80 0.00 0.00 33.01 30.34 3gas s GLN 125 CO 0.49 -0.36 0.31 0.71 -0.50 0.00 0.00 175.29 175.94 3gas s TYR 126 N 2.33 3.43 0.14 1.67 1.51 -1.26 -1.00 117.35 124.17 3gas s TYR 126 Ca 0.25 0.04 -0.10 0.00 -1.01 0.00 0.00 57.07 56.24 3gas s TYR 126 Cb -0.16 -1.60 0.00 0.00 -0.11 0.00 0.00 41.96 40.09 3gas s TYR 126 CO 0.09 0.48 0.29 0.71 -1.11 0.00 0.00 175.55 176.01 3gas s TYR 127 N -1.87 0.23 0.26 2.71 2.02 -1.26 -1.30 117.35 118.14 3gas s TYR 127 Ca 0.34 -0.61 0.08 0.00 -0.37 0.00 0.00 57.07 56.51 3gas s TYR 127 Cb -0.10 0.01 -0.05 0.00 -0.40 0.00 0.00 41.96 41.42 3gas s TYR 127 CO 0.28 -0.69 -0.10 0.96 -1.57 0.00 0.00 175.55 174.43 3gas s ILE 128 N -3.92 1.77 -0.14 2.71 -4.36 0.41 -4.42 121.20 113.26 3gas s ILE 128 Ca 0.12 -2.18 -0.01 0.00 -0.26 0.00 0.00 60.65 58.32 3gas s ILE 128 Cb 0.03 -2.30 0.04 0.00 1.25 0.00 0.00 42.46 41.48 3gas s ILE 128 CO -0.04 -0.41 -0.03 -0.47 0.24 0.00 0.00 174.94 174.23 3gas s TYR 129 N -2.94 1.33 0.13 1.37 5.04 -1.10 -0.55 117.35 120.62 3gas s TYR 129 Ca 0.27 -0.78 0.01 0.00 -2.44 0.00 0.00 57.07 54.14 3gas s TYR 129 Cb 0.01 -1.14 -0.04 0.00 0.35 0.00 0.00 41.96 41.14 3gas s TYR 129 CO 0.11 -0.53 -0.02 0.14 -1.34 0.00 0.00 175.55 173.91 3gas s VAL 130 N 1.76 0.56 0.05 3.14 -7.23 -0.82 -4.20 120.40 113.66 3gas s VAL 130 Ca 0.02 -1.94 0.03 0.00 -1.81 0.00 0.00 61.98 58.29 3gas s VAL 130 Cb -0.14 -1.88 -0.04 0.00 0.56 0.00 0.00 36.38 34.88 3gas s VAL 130 CO -0.07 -0.68 0.02 -0.55 -0.31 0.00 0.00 175.10 173.51 3gas s SER 131 N -3.08 5.20 0.51 4.85 0.15 -1.26 0.55 113.70 120.62 3gas s SER 131 Ca 0.18 -0.06 0.34 0.00 0.70 0.00 0.00 55.95 57.11 3gas s SER 131 Cb 0.06 -1.33 1.75 0.00 -1.71 0.00 0.00 66.02 64.79 3gas s SER 131 CO -0.01 0.22 2.04 -0.33 1.20 0.00 0.00 173.24 176.36 3gas h GLU 132 N 3.79 0.00 0.00 5.44 5.08 -1.48 -1.68 114.58 125.73 3gas h GLU 132 Ca -0.48 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 57.85 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 0.60 0.00 -0.13 0.28 -1.00 0.00 0.00 179.01 178.76 3gas h VAL 133 N 0.00 0.30 -3.39 3.13 2.07 -1.94 -3.46 116.25 112.95 3gas h VAL 133 Ca 0.00 -0.99 -0.55 0.00 0.82 0.00 0.00 66.70 65.99 3gas h VAL 133 Cb 0.13 1.78 -0.03 0.00 -1.52 0.00 0.00 31.29 31.65 3gas h VAL 133 CO 0.00 0.13 -0.11 0.00 0.02 0.00 0.00 177.57 177.61 3gas s ALA 134 N -3.52 3.58 0.51 1.67 0.00 -0.63 -5.00 121.76 118.37 3gas s ALA 134 Ca 0.02 -0.24 0.17 0.00 0.00 0.00 0.00 51.96 51.91 3gas s ALA 134 Cb 0.09 -2.45 1.25 0.00 0.00 0.00 0.00 23.12 22.00 3gas s ALA 134 CO 0.62 0.50 2.12 1.49 0.00 0.00 0.00 175.76 180.48 3gas h GLU 135 N 2.86 0.06 0.00 0.00 4.81 -1.87 -2.05 114.58 118.38 3gas h GLU 135 Ca -0.47 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.75 3gas h GLU 135 Cb 1.18 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.54 3gas h GLU 135 CO 0.68 0.04 0.00 1.12 -0.73 0.00 0.00 179.01 180.12 3gas h HIS 136 N 0.06 0.00 -0.59 0.92 2.07 -1.94 -3.20 115.15 112.47 3gas h HIS 136 Ca 0.06 0.00 -0.00 0.00 -2.85 0.00 0.00 60.37 57.57 3gas h HIS 136 Cb 0.16 0.00 -0.03 0.00 2.57 0.00 0.00 27.41 30.11 3gas h HIS 136 CO -0.00 0.00 0.36 0.35 -3.07 0.00 0.00 177.93 175.57 3gas h PHE 137 N 0.00 0.78 -0.90 6.12 3.57 -1.60 -1.03 116.94 123.88 3gas h PHE 137 Ca 0.00 -0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.52 3gas h PHE 137 Cb 0.46 -0.26 -0.05 0.00 2.79 0.00 0.00 35.95 38.89 3gas h PHE 137 CO 0.00 0.53 0.60 0.00 -2.23 0.00 0.00 178.31 177.21 3gas h ALA 138 N 1.18 1.38 -0.15 2.41 0.00 -1.74 0.12 119.26 122.46 3gas h ALA 138 Ca 0.21 -0.06 -0.20 0.00 0.00 0.00 0.00 54.91 54.87 3gas h ALA 138 Cb -0.02 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 17.42 3gas h ALA 138 CO -0.04 0.56 -0.71 0.78 0.00 0.00 0.00 179.25 179.85 3gas h GLY 139 N 1.20 0.70 1.60 0.00 0.00 -1.64 0.11 103.07 105.04 3gas h GLY 139 Ca 0.34 -0.95 -0.10 0.00 0.00 0.00 0.00 47.33 46.63 3gas h GLY 139 CO -0.08 0.84 -0.26 1.41 0.00 0.00 0.00 176.54 178.45 3gas h LEU 140 N 0.45 0.47 0.01 3.11 3.38 -0.60 0.83 115.31 122.95 3gas h LEU 140 Ca -0.03 -0.16 -0.08 0.00 0.09 0.00 0.00 57.88 57.70 3gas h LEU 140 Cb 1.30 -0.13 0.01 0.00 0.09 0.00 0.00 40.66 41.93 3gas h LEU 140 CO 0.14 0.72 -0.32 0.50 0.09 0.00 0.00 178.44 179.57 3gas h LYS 141 N 0.41 0.19 0.00 1.13 3.64 -0.67 -3.20 116.57 118.07 3gas h LYS 141 Ca 0.06 -0.22 0.00 0.00 -1.27 0.00 0.00 60.65 59.22 3gas h LYS 141 Cb 0.68 0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.56 3gas h LYS 141 CO 0.05 0.98 -1.06 0.09 -2.27 0.00 0.00 179.45 177.24 3gas n ASN 142 N -4.45 0.79 -2.96 4.20 3.02 0.02 -4.34 115.26 111.53 3gas n ASN 142 Ca -0.10 0.29 -0.19 0.00 -0.03 0.00 0.00 54.58 54.55 3gas n ASN 142 Cb 0.55 0.54 -0.02 0.00 -0.61 0.00 0.00 39.78 40.25 3gas n ASN 142 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3gas n ASN 143 N -2.62 2.16 0.30 6.41 3.02 0.28 -4.95 115.26 119.87 3gas n ASN 143 Ca -0.00 -3.17 0.19 0.00 -0.03 0.00 0.00 54.58 51.57 3gas n ASN 143 Cb 0.55 -0.57 1.02 0.00 -0.61 0.00 0.00 39.78 40.16 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 2.96 0.00 -0.30 3.52 0.13 -1.59 -1.59 132.00 135.13 3gas h PRO 144 Ca 0.09 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.21 3gas h PRO 144 Cb 0.90 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.02 3gas h PRO 144 CO 0.61 0.00 0.00 0.72 -0.23 0.00 0.00 178.00 179.10 3gas n HIS 145 N -3.34 1.07 -3.45 1.56 8.25 -1.26 -0.89 115.22 117.16 3gas n HIS 145 Ca -0.02 -0.90 -0.27 0.00 -0.26 0.00 0.00 57.72 56.28 3gas n HIS 145 Cb 0.18 -0.35 -0.10 0.00 1.12 0.00 0.00 29.99 30.85 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 -0.44 0.80 -3.89 0.41 2.85 -0.60 -4.88 115.26 109.51 3gas n ASN 146 Ca 0.23 -2.72 -0.11 0.00 -0.11 0.00 0.00 54.58 51.86 3gas n ASN 146 Cb 0.94 -0.63 -0.13 0.00 1.24 0.00 0.00 39.78 41.21 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 -0.80 0.04 -0.06 3.44 1.01 -1.25 -3.98 120.40 118.81 3gas s VAL 147 Ca 0.33 -0.33 0.03 0.00 0.00 0.00 0.00 61.98 62.00 3gas s VAL 147 Cb 0.07 -0.16 0.01 0.00 0.00 0.00 0.00 36.38 36.30 3gas s VAL 147 CO -0.15 -0.18 -0.14 -0.70 0.00 0.00 0.00 175.10 173.93 3gas s GLU 148 N -0.54 1.79 0.39 2.72 2.12 -0.82 -0.74 118.70 123.61 3gas s GLU 148 Ca -0.06 -0.48 0.04 0.00 0.36 0.00 0.00 54.97 54.82 3gas s GLU 148 Cb -0.04 -1.48 0.04 0.00 0.26 0.00 0.00 34.13 32.91 3gas s GLU 148 CO -0.00 0.09 0.31 0.28 -0.54 0.00 0.00 175.26 175.40 3gas n VAL 149 N 3.62 0.00 -3.50 3.70 0.31 -0.67 -1.37 118.33 120.43 3gas n VAL 149 Ca -0.21 -1.51 -0.01 0.00 -0.01 0.00 0.00 64.34 62.59 3gas n VAL 149 Cb 0.52 -0.21 -0.04 0.00 -0.91 0.00 0.00 33.84 33.20 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 -1.87 -1.30 -0.13 3.52 0.08 0.41 -0.92 117.98 117.77 3gas s PHE 151 Ca 0.23 1.94 0.02 0.00 0.12 0.00 0.00 56.93 59.25 3gas s PHE 151 Cb -0.02 0.61 0.01 0.00 -0.57 0.00 0.00 43.02 43.06 3gas s PHE 151 CO 0.15 -0.70 -0.19 -1.17 -0.10 0.00 0.00 175.22 173.21 3gas s LEU 152 N 2.82 1.94 0.36 -0.37 2.96 -1.26 -1.02 118.68 124.11 3gas s LEU 152 Ca 0.03 -0.53 -0.28 0.00 -0.22 0.00 0.00 54.13 53.13 3gas s LEU 152 Cb -0.13 -1.29 -0.11 0.00 0.50 0.00 0.00 46.19 45.16 3gas s LEU 152 CO -0.18 0.05 1.51 -0.70 -1.32 0.00 0.00 176.35 175.70 3gas s GLU 153 N 0.91 4.11 0.35 1.98 2.12 -0.27 -4.93 118.70 122.97 3gas s GLU 153 Ca -0.06 2.57 -0.28 0.00 0.36 0.00 0.00 54.97 57.55 3gas s GLU 153 Cb -0.15 -2.98 -0.12 0.00 0.26 0.00 0.00 34.13 31.14 3gas s GLU 153 CO -0.02 -0.55 1.41 -0.25 -0.54 0.00 0.00 175.26 175.30 3gas n ASP 154 N 0.77 3.29 -0.28 -1.70 8.00 -1.26 -4.77 116.55 120.61 3gas n ASP 154 Ca 0.02 1.21 0.04 0.00 0.71 0.00 0.00 54.79 56.77 3gas n ASP 154 Cb 0.39 -1.55 0.26 0.00 -0.02 0.00 0.00 41.12 40.20 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 2.99 0.96 0.00 -1.24 4.81 -1.96 -0.64 114.58 119.50 3gas h GLU 155 Ca -0.48 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 58.69 3gas h GLU 155 Cb 1.26 -0.22 0.00 0.00 0.63 0.00 0.00 28.75 30.42 3gas h GLU 155 CO 0.65 0.63 0.00 -1.13 -0.73 0.00 0.00 179.01 178.44 3gas n SER 156 N -4.48 0.00 -0.00 1.04 3.41 -1.26 -2.75 113.62 109.57 3gas n SER 156 Ca 0.13 0.38 0.06 0.00 -0.26 0.00 0.00 58.87 59.18 3gas n SER 156 Cb 0.19 -0.45 -0.09 0.00 -0.26 0.00 0.00 64.21 63.60 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 0.78 -1.33 4.33 5.02 -0.35 -5.05 118.16 120.12 3gas n LYS 157 Ca 0.05 -0.10 -0.31 0.00 -2.02 0.00 0.00 58.31 55.94 3gas n LYS 157 Cb 0.19 -1.26 0.10 0.00 -0.02 0.00 0.00 35.03 34.03 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 -2.76 2.15 0.25 7.82 0.00 -0.60 -4.96 121.76 123.65 3gas s ALA 158 Ca -0.03 0.10 -0.05 0.00 0.00 0.00 0.00 51.96 51.97 3gas s ALA 158 Cb 0.08 -3.22 0.27 0.00 0.00 0.00 0.00 23.12 20.26 3gas s ALA 158 CO 0.52 -1.82 1.87 0.87 0.00 0.00 0.00 175.76 177.20 3gas h LYS 159 N -1.16 1.18 -2.53 0.00 1.79 -1.86 -3.47 116.57 110.52 3gas h LYS 159 Ca -0.45 -0.14 0.14 0.00 -2.18 0.00 0.00 60.65 58.02 3gas h LYS 159 Cb 1.24 -0.23 -0.05 0.00 -1.58 0.00 0.00 32.23 31.62 3gas h LYS 159 CO 0.54 0.87 0.51 -1.54 -1.08 0.00 0.00 179.45 178.75 3gas s SER 160 N -6.30 -0.06 0.48 0.86 1.04 -1.25 -4.62 113.70 103.84 3gas s SER 160 Ca -0.12 -0.65 0.22 0.00 0.48 0.00 0.00 55.95 55.88 3gas s SER 160 Cb 0.17 0.55 1.19 0.00 0.10 0.00 0.00 66.02 68.03 3gas s SER 160 CO 0.82 -1.06 2.00 0.00 0.98 0.00 0.00 173.24 175.98 3gas h ALA 161 N 2.00 1.39 -0.01 5.32 0.00 -1.90 -2.55 119.26 123.51 3gas h ALA 161 Ca -0.27 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.48 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 0.33 0.23 -0.13 0.44 0.00 0.00 0.00 179.25 180.12 3gas n ILE 162 N -3.87 0.00 -3.21 0.00 -5.35 -1.26 -4.40 119.36 101.27 3gas n ILE 162 Ca -0.02 -0.23 -0.24 0.00 -0.27 0.00 0.00 62.75 61.99 3gas n ILE 162 Cb 0.28 0.62 -0.07 0.00 -1.74 0.00 0.00 39.64 38.73 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 -0.02 0.81 -4.68 7.28 7.94 -0.96 -5.06 117.00 122.30 3gas n LEU 163 Ca 0.15 -4.85 -0.39 0.00 -1.11 0.00 0.00 56.01 49.82 3gas n LEU 163 Cb 0.39 0.46 -0.07 0.00 0.53 0.00 0.00 43.42 44.73 3gas n LEU 163 CO 0.21 2.11 0.19 -0.13 -1.11 0.00 0.00 177.39 178.65 3gas s ARG 164 N -1.56 4.23 0.52 1.96 0.52 -1.24 -3.52 118.95 119.85 3gas s ARG 164 Ca 0.37 0.37 -0.22 0.00 -0.52 0.00 0.00 55.73 55.73 3gas s ARG 164 Cb 0.19 -3.52 -0.06 0.00 0.52 0.00 0.00 34.95 32.09 3gas s ARG 164 CO -0.09 -0.03 1.30 0.15 0.02 0.00 0.00 175.30 176.64 3gas s LYS 165 N 1.26 3.32 -0.02 3.54 1.02 -1.26 -4.80 119.74 122.80 3gas s LYS 165 Ca 0.23 2.09 -0.21 0.00 0.02 0.00 0.00 55.97 58.10 3gas s LYS 165 Cb -0.15 -2.30 0.04 0.00 -0.52 0.00 0.00 37.83 34.91 3gas s LYS 165 CO 0.09 -1.00 0.46 -0.98 -0.92 0.00 0.00 175.35 173.00 3gas s ARG 166 N -2.85 0.84 -0.12 1.68 3.03 -0.91 -1.11 118.95 119.52 3gas s ARG 166 Ca 0.69 -0.04 -0.01 0.00 2.03 0.00 0.00 55.73 58.40 3gas s ARG 166 Cb -0.37 0.39 0.03 0.00 -1.03 0.00 0.00 34.95 33.97 3gas s ARG 166 CO 0.44 -0.25 -0.03 -1.17 -1.13 0.00 0.00 175.30 173.15 3gas s LEU 167 N -1.36 1.05 -0.04 -1.89 2.96 -0.19 -1.11 118.68 118.10 3gas s LEU 167 Ca -0.12 -0.35 0.06 0.00 -0.22 0.00 0.00 54.13 53.51 3gas s LEU 167 Cb -0.03 -0.68 -0.01 0.00 0.50 0.00 0.00 46.19 45.97 3gas s LEU 167 CO 0.06 -0.18 -0.23 -0.13 -1.32 0.00 0.00 176.35 174.55 3gas s ARG 168 N 1.81 2.20 -0.04 1.98 0.52 -0.30 -0.44 118.95 124.66 3gas s ARG 168 Ca 0.04 -0.83 0.02 0.00 -0.52 0.00 0.00 55.73 54.44 3gas s ARG 168 Cb -0.13 -1.94 0.01 0.00 0.52 0.00 0.00 34.95 33.40 3gas s ARG 168 CO -0.07 0.39 -0.09 0.71 0.02 0.00 0.00 175.30 176.26 3gas s TYR 169 N -0.25 1.09 0.22 -0.53 2.02 -0.10 -0.28 117.35 119.53 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 -0.12 -0.82 -0.09 0.00 -0.40 0.00 0.00 41.96 40.54 3gas s TYR 169 CO 0.02 -0.18 1.30 0.15 -1.57 0.00 0.00 175.55 175.28 3gas s LYS 170 N 0.49 4.39 0.00 -0.62 1.02 0.02 -1.66 119.74 123.39 3gas s LYS 170 Ca -0.09 2.07 0.03 0.00 0.02 0.00 0.00 55.97 58.00 3gas s LYS 170 Cb -0.12 -3.18 -0.01 0.00 -0.52 0.00 0.00 37.83 34.00 3gas s LYS 170 CO 0.02 -0.23 -0.09 0.99 -0.92 0.00 0.00 175.35 175.12 3gas s THR 171 N -0.10 0.68 -0.14 2.17 2.01 0.08 -0.51 115.64 119.83 3gas s THR 171 Ca 0.55 -0.48 -0.06 0.00 0.31 0.00 0.00 61.69 62.01 3gas s THR 171 Cb -0.37 -0.59 -0.04 0.00 0.01 0.00 0.00 72.50 71.51 3gas s THR 171 CO 0.40 0.11 0.09 0.20 -0.69 0.00 0.00 174.62 174.73 3gas s ASN 172 N -0.42 5.93 0.24 3.53 0.01 -0.20 -3.78 114.94 120.25 3gas s ASN 172 Ca 0.02 0.27 0.11 0.00 -0.71 0.00 0.00 52.86 52.55 3gas s ASN 172 Cb -0.04 -1.92 -0.05 0.00 0.41 0.00 0.00 41.25 39.65 3gas s ASN 172 CO -0.00 0.31 -0.19 0.42 -1.51 0.00 0.00 177.10 176.13 3gas s THR 173 N -0.46 2.59 -0.11 1.60 -4.23 -0.07 -0.47 115.64 114.50 3gas s THR 173 Ca 0.11 -2.15 -0.21 0.00 -1.18 0.00 0.00 61.69 58.26 3gas s THR 173 Cb -0.12 -2.31 0.05 0.00 1.34 0.00 0.00 72.50 71.46 3gas s THR 173 CO 0.02 -0.26 0.51 0.00 -0.54 0.00 0.00 174.62 174.34 3gas s ARG 174 N -3.14 0.75 0.25 3.99 1.70 -1.01 -4.73 118.95 116.76 3gas s ARG 174 Ca 0.26 0.35 -0.30 0.00 -0.47 0.00 0.00 55.73 55.58 3gas s ARG 174 Cb -0.07 0.35 -0.09 0.00 -0.57 0.00 0.00 34.95 34.57 3gas s ARG 174 CO 0.13 -0.17 1.03 -0.06 -1.08 0.00 0.00 175.30 175.16 3gas s PHE 175 N -0.55 3.75 -0.22 5.89 0.08 -1.26 -0.63 117.98 125.04 3gas s PHE 175 Ca -0.07 1.78 -0.05 0.00 0.12 0.00 0.00 56.93 58.72 3gas s PHE 175 Cb -0.03 -3.16 -0.02 0.00 -0.57 0.00 0.00 43.02 39.25 3gas s PHE 175 CO 0.04 -0.13 -0.01 0.42 -0.10 0.00 0.00 175.22 175.44 3gas s ILE 176 N -1.08 3.72 0.77 0.64 -1.09 -0.08 -4.88 121.20 119.20 3gas s ILE 176 Ca 0.43 -0.38 -0.11 0.00 -2.23 0.00 0.00 60.65 58.37 3gas s ILE 176 Cb -0.29 -2.70 0.05 0.00 -1.58 0.00 0.00 42.46 37.94 3gas s ILE 176 CO 0.37 0.40 1.08 -1.61 -1.23 0.00 0.00 174.94 173.95 3gas s GLU 177 N 1.41 2.30 0.68 2.79 2.02 -1.26 -4.21 118.70 122.43 3gas s GLU 177 Ca 0.05 0.97 -0.17 0.00 0.02 0.00 0.00 54.97 55.84 3gas s GLU 177 Cb -0.15 -1.92 0.01 0.00 0.10 0.00 0.00 34.13 32.18 3gas s GLU 177 CO -0.00 -1.56 1.28 0.54 0.02 0.00 0.00 175.26 175.54 3gas n ARG 178 N -3.44 0.95 -1.30 1.61 5.12 -1.26 -4.45 116.66 113.89 3gas n ARG 178 Ca 0.08 0.38 0.00 0.00 -1.93 0.00 0.00 57.85 56.38 3gas n ARG 178 Cb 0.54 -2.52 0.00 0.00 -1.16 0.00 0.00 32.46 29.32 3gas n ARG 178 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3gas n GLY 179 N 0.85 0.50 0.15 -0.13 0.00 -1.26 -4.91 105.19 100.39 3gas n GLY 179 Ca 0.16 -1.63 -0.10 0.00 0.00 0.00 0.00 46.02 44.44 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 -0.04 -0.44 4.61 0.00 -1.99 -0.39 119.26 121.00 3gas h ALA 180 Ca 0.00 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 3gas h ALA 180 Cb 0.00 0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 3gas h ALA 180 CO 0.00 -0.57 0.23 1.49 0.00 0.00 0.00 179.25 180.41 3gas h GLU 181 N -0.14 0.61 -0.16 0.00 4.81 -1.93 -1.56 114.58 116.21 3gas h GLU 181 Ca 0.07 -0.07 0.04 0.00 -0.13 0.00 0.00 59.36 59.26 3gas h GLU 181 Cb 0.23 -0.12 -0.04 0.00 0.63 0.00 0.00 28.75 29.45 3gas h GLU 181 CO -0.16 0.50 -0.09 0.35 -0.73 0.00 0.00 179.01 178.87 3gas h PHE 182 N 0.57 -0.21 -0.45 0.92 3.57 -1.73 -1.68 116.94 117.93 3gas h PHE 182 Ca 0.15 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.63 3gas h PHE 182 Cb 0.07 0.12 -0.02 0.00 2.79 0.00 0.00 35.95 38.90 3gas h PHE 182 CO -0.02 -0.14 0.10 -0.44 -2.23 0.00 0.00 178.31 175.58 3gas h ASP 183 N -0.08 0.63 -0.34 0.41 3.32 -0.82 -0.34 116.42 119.20 3gas h ASP 183 Ca 0.09 -0.10 -0.07 0.00 0.02 0.00 0.00 57.03 56.97 3gas h ASP 183 Cb 0.21 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.59 3gas h ASP 183 CO -0.21 0.64 -0.07 0.50 -1.72 0.00 0.00 179.24 178.38 3gas h LYS 184 N 0.66 0.65 -0.41 3.56 3.64 -0.91 0.46 116.57 124.23 3gas h LYS 184 Ca 0.15 -0.24 -0.10 0.00 -1.27 0.00 0.00 60.65 59.18 3gas h LYS 184 Cb 0.27 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.04 3gas h LYS 184 CO -0.00 0.82 -0.14 0.00 -2.27 0.00 0.00 179.45 177.85 3gas h ALA 185 N 0.82 0.57 -0.56 5.00 0.00 -1.01 -2.18 119.26 121.90 3gas h ALA 185 Ca 0.09 -0.34 -0.11 0.00 0.00 0.00 0.00 54.91 54.55 3gas h ALA 185 Cb 0.57 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 3gas h ALA 185 CO 0.03 0.48 -0.07 0.35 0.00 0.00 0.00 179.25 180.05 3gas h PHE 186 N 0.64 1.15 -0.59 0.00 3.57 -0.99 -1.28 116.94 119.44 3gas h PHE 186 Ca 0.10 -0.23 -0.04 0.00 3.53 0.00 0.00 57.97 61.33 3gas h PHE 186 Cb 0.68 -0.29 -0.03 0.00 2.79 0.00 0.00 35.95 39.11 3gas h PHE 186 CO 0.05 1.05 0.19 -0.44 -2.23 0.00 0.00 178.31 176.93 3gas h ASP 187 N 0.92 0.81 -0.58 0.41 3.32 -0.84 -0.94 116.42 119.52 3gas h ASP 187 Ca 0.15 -0.13 -0.04 0.00 0.02 0.00 0.00 57.03 57.03 3gas h ASP 187 Cb 0.64 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.95 3gas h ASP 187 CO 0.04 0.76 0.19 -1.28 -1.72 0.00 0.00 179.24 177.24 3gas h SER 188 N 0.86 0.84 -0.53 6.45 0.87 -1.07 0.12 113.55 121.09 3gas h SER 188 Ca 0.20 -0.20 -0.01 0.00 -1.23 0.00 0.00 61.79 60.54 3gas h SER 188 Cb 0.23 -0.22 -0.02 0.00 -0.44 0.00 0.00 62.40 61.95 3gas h SER 188 CO -0.01 0.82 0.28 0.15 -0.53 0.00 0.00 176.83 177.53 3gas h PHE 189 N 0.82 0.75 -0.81 2.24 3.57 -0.74 0.42 116.94 123.18 3gas h PHE 189 Ca 0.19 -0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.63 3gas h PHE 189 Cb 0.27 -0.24 -0.04 0.00 2.79 0.00 0.00 35.95 38.74 3gas h PHE 189 CO 0.02 0.56 0.37 0.82 -2.23 0.00 0.00 178.31 177.85 3gas h ILE 190 N 0.71 1.26 -0.31 1.41 2.04 -0.81 -0.60 117.51 121.21 3gas h ILE 190 Ca 0.19 -0.75 -0.04 0.00 1.00 0.00 0.00 64.86 65.25 3gas h ILE 190 Cb 0.08 0.25 -0.01 0.00 -0.74 0.00 0.00 36.82 36.40 3gas h ILE 190 CO -0.03 0.31 0.02 -0.08 0.00 0.00 0.00 178.15 178.38 3gas h GLU 191 N 1.15 0.53 -0.28 2.37 4.81 -0.52 -0.23 114.58 122.42 3gas h GLU 191 Ca 0.28 -0.16 -0.05 0.00 -0.13 0.00 0.00 59.36 59.29 3gas h GLU 191 Cb 0.15 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.47 3gas h GLU 191 CO -0.03 0.66 -0.03 -0.22 -0.73 0.00 0.00 179.01 178.66 3gas h LYS 192 N 0.34 0.52 0.00 1.92 3.64 -0.69 -3.24 116.57 119.05 3gas h LYS 192 Ca 0.09 -0.18 -0.03 0.00 -1.27 0.00 0.00 60.65 59.26 3gas h LYS 192 Cb 0.40 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.18 3gas h LYS 192 CO 0.01 0.69 -0.43 1.79 -2.27 0.00 0.00 179.45 179.25 3gas h THR 193 N 0.29 0.22 0.00 1.00 1.35 -1.16 -3.47 112.91 111.14 3gas h THR 193 Ca 0.08 -1.33 0.00 0.00 -0.55 0.00 0.00 66.41 64.61 3gas h THR 193 Cb 0.48 1.98 0.00 0.00 -1.73 0.00 0.00 68.15 68.88 3gas h THR 193 CO 0.02 0.12 0.00 0.61 -0.25 0.00 0.00 175.52 176.02 3gas n GLY 194 N 1.17 2.81 2.54 5.82 0.00 -0.15 -4.67 105.19 112.70 3gas n GLY 194 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 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 -1.73 0.63 3.74 -0.02 0.00 -0.84 -4.91 105.19 102.06 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 n ALA 196 N 1.00 0.56 -1.02 4.61 0.00 -1.26 -4.13 120.51 120.27 3gas n ALA 196 Ca 0.00 -1.93 -0.01 0.00 0.00 0.00 0.00 53.44 51.50 3gas n ALA 196 Cb 0.03 0.40 -0.00 0.00 0.00 0.00 0.00 19.45 19.88 3gas n ALA 196 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gas n GLY 197 N -2.17 0.47 0.00 0.00 0.00 -1.26 -3.81 105.19 98.42 3gas n GLY 197 Ca 0.16 -0.66 0.00 0.00 0.00 0.00 0.00 46.02 45.52 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 -2.84 0.66 0.36 -0.02 0.00 -1.26 -4.98 105.19 97.10 3gas n GLY 198 Ca -0.01 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.99 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 1.22 -0.22 -0.61 2.04 -1.78 -1.13 117.51 117.03 3gas h ILE 199 Ca 0.00 -0.43 -0.10 0.00 1.00 0.00 0.00 64.86 65.33 3gas h ILE 199 Cb 0.00 -0.15 -0.01 0.00 -0.74 0.00 0.00 36.82 35.92 3gas h ILE 199 CO 0.00 0.23 -0.27 0.11 0.00 0.00 0.00 178.15 178.21 3gas h LYS 200 N 1.25 0.43 -0.06 2.37 1.57 -1.88 -2.66 116.57 117.59 3gas h LYS 200 Ca 0.35 -0.16 -0.02 0.00 -1.87 0.00 0.00 60.65 58.95 3gas h LYS 200 Cb -0.10 -0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.18 3gas h LYS 200 CO -0.09 0.67 -0.03 1.15 -0.57 0.00 0.00 179.45 180.58 3gas h THR 201 N 0.38 1.32 0.00 -0.16 2.02 -1.77 -3.14 112.91 111.56 3gas h THR 201 Ca 0.05 -1.02 -0.02 0.00 0.77 0.00 0.00 66.41 66.19 3gas h THR 201 Cb 0.68 1.88 -0.00 0.00 -1.74 0.00 0.00 68.15 68.97 3gas h THR 201 CO 0.05 0.28 -0.08 0.16 0.37 0.00 0.00 175.52 176.30 3gas h ILE 202 N -0.25 0.26 -0.51 3.11 3.07 -1.18 -2.29 117.51 119.71 3gas h ILE 202 Ca 0.01 -0.58 0.05 0.00 1.55 0.00 0.00 64.86 65.89 3gas h ILE 202 Cb 0.46 1.46 -0.03 0.00 -0.27 0.00 0.00 36.82 38.44 3gas h ILE 202 CO 0.01 0.08 0.34 -0.09 -1.05 0.00 0.00 178.15 177.44 3gas h ARG 203 N 0.00 0.48 -4.91 0.16 2.43 -1.42 -3.45 114.38 107.67 3gas h ARG 203 Ca -0.00 -0.03 -0.71 0.00 -0.81 0.00 0.00 59.98 58.43 3gas h ARG 203 Cb 0.45 -0.11 -0.18 0.00 -0.42 0.00 0.00 29.97 29.72 3gas h ARG 203 CO 0.01 0.32 1.07 0.00 -1.51 0.00 0.00 179.97 179.86 3gas s ALA 204 N -5.45 3.65 0.00 2.80 0.00 -0.86 -5.06 121.76 116.83 3gas s ALA 204 Ca -0.08 -3.03 0.00 0.00 0.00 0.00 0.00 51.96 48.85 3gas s ALA 204 Cb 0.19 -4.09 0.00 0.00 0.00 0.00 0.00 23.12 19.22 3gas s ALA 204 CO 0.74 -2.89 0.00 1.04 0.00 0.00 0.00 175.76 174.65 3gas n GLN 206 N 6.15 1.53 0.00 0.00 1.13 -1.26 -5.05 117.38 119.88 3gas n GLN 206 Ca 0.30 0.00 0.14 0.00 -1.94 0.00 0.00 57.00 55.50 3gas n GLN 206 Cb 0.46 -0.14 0.70 0.00 0.11 0.00 0.00 30.24 31.38 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 -0.08 0.02 -4.84 1.08 5.75 -1.26 -4.79 116.55 112.42 3gas n ASP 207 Ca 0.00 0.08 -0.36 0.00 -0.01 0.00 0.00 54.79 54.49 3gas n ASP 207 Cb 0.00 -0.35 -0.06 0.00 -1.03 0.00 0.00 41.12 39.68 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 3.66 -0.00 2.11 0.08 -1.26 -1.04 117.98 118.80 3gas s PHE 208 Ca 0.23 1.00 0.05 0.00 0.12 0.00 0.00 56.93 58.33 3gas s PHE 208 Cb 0.20 -2.31 -0.01 0.00 -0.57 0.00 0.00 43.02 40.33 3gas s PHE 208 CO 0.49 0.54 -0.15 -1.01 -0.10 0.00 0.00 175.22 174.99 3gas s HIS 209 N -1.29 1.34 -0.06 0.36 3.76 0.19 -4.94 115.29 114.65 3gas s HIS 209 Ca 0.31 -0.27 -0.21 0.00 -0.15 0.00 0.00 55.06 54.74 3gas s HIS 209 Cb -0.16 -0.85 -0.04 0.00 1.11 0.00 0.00 32.58 32.64 3gas s HIS 209 CO 0.17 -0.01 0.60 -1.17 -0.85 0.00 0.00 174.74 173.48 3gas s LEU 210 N -0.50 4.35 -0.12 0.89 2.96 -1.26 -1.94 118.68 123.06 3gas s LEU 210 Ca 0.05 1.08 0.00 0.00 -0.22 0.00 0.00 54.13 55.04 3gas s LEU 210 Cb -0.06 -2.91 0.02 0.00 0.50 0.00 0.00 46.19 43.74 3gas s LEU 210 CO -0.00 0.00 -0.12 -0.63 -1.32 0.00 0.00 176.35 174.28 3gas s ILE 211 N 0.35 1.34 0.33 6.68 1.01 0.28 -0.90 121.20 130.29 3gas s ILE 211 Ca 0.32 -0.51 -0.26 0.00 0.00 0.00 0.00 60.65 60.20 3gas s ILE 211 Cb -0.17 -1.28 -0.10 0.00 0.01 0.00 0.00 42.46 40.93 3gas s ILE 211 CO 0.16 0.42 0.96 0.00 0.00 0.00 0.00 174.94 176.48 3gas s ALA 212 N 1.40 3.21 -0.16 9.38 0.00 0.20 -0.45 121.76 135.34 3gas s ALA 212 Ca 0.01 0.57 -0.04 0.00 0.00 0.00 0.00 51.96 52.50 3gas s ALA 212 Cb -0.13 -3.20 -0.03 0.00 0.00 0.00 0.00 23.12 19.76 3gas s ALA 212 CO -0.07 0.11 -0.04 -0.51 0.00 0.00 0.00 175.76 175.26 3gas s LEU 213 N -2.08 3.24 -0.34 0.00 1.43 -0.42 -2.42 118.68 118.10 3gas s LEU 213 Ca 0.51 -0.14 -0.00 0.00 -1.03 0.00 0.00 54.13 53.47 3gas s LEU 213 Cb -0.20 -1.78 0.08 0.00 0.03 0.00 0.00 46.19 44.32 3gas s LEU 213 CO 0.25 0.16 0.07 -0.62 0.23 0.00 0.00 176.35 176.44 3gas s ASP 214 N 0.42 4.93 0.20 2.29 2.15 0.38 -4.44 116.67 122.60 3gas s ASP 214 Ca -0.04 -1.76 -0.30 0.00 0.43 0.00 0.00 52.55 50.89 3gas s ASP 214 Cb -0.14 -1.71 -0.08 0.00 -0.30 0.00 0.00 42.92 40.68 3gas s ASP 214 CO 0.03 -0.38 1.19 -0.36 -0.17 0.00 0.00 175.17 175.49 3gas s PHE 215 N 1.11 3.43 0.00 -5.34 0.08 -1.26 -1.03 117.98 114.97 3gas s PHE 215 Ca 0.03 1.45 0.00 0.00 0.12 0.00 0.00 56.93 58.53 3gas s PHE 215 Cb -0.21 -3.43 0.00 0.00 -0.57 0.00 0.00 43.02 38.82 3gas s PHE 215 CO -0.04 -1.17 0.00 1.63 -0.10 0.00 0.00 175.22 175.54 3gas n LYS 216 N 2.29 0.00 -1.85 0.44 4.76 0.34 -4.84 118.16 119.30 3gas n LYS 216 Ca 0.04 0.00 -0.41 0.00 -2.87 0.00 0.00 58.31 55.06 3gas n LYS 216 Cb 0.44 0.00 -0.02 0.00 -1.84 0.00 0.00 35.03 33.62 3gas n LYS 216 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 3gas s GLU 217 N 3.40 4.17 0.17 1.97 8.01 -1.26 -4.52 118.70 130.64 3gas s GLU 217 Ca 0.00 2.49 0.07 0.00 0.01 0.00 0.00 54.97 57.54 3gas s GLU 217 Cb 0.00 -3.05 -0.04 0.00 -4.31 0.00 0.00 34.13 26.73 3gas s GLU 217 CO 0.00 -0.56 -0.14 0.20 0.01 0.00 0.00 175.26 174.77 3gas s GLY 218 N 0.42 1.28 -0.07 -1.39 0.00 0.30 -0.80 107.32 107.06 3gas s GLY 218 Ca 0.61 -1.52 0.00 0.00 0.00 0.00 0.00 44.72 43.82 3gas s GLY 218 CO 0.47 -1.60 -0.05 -1.60 0.00 0.00 0.00 173.10 170.32 3gas s ARG 219 N -3.28 1.12 -0.12 2.90 6.06 0.62 -0.87 118.95 125.38 3gas s ARG 219 Ca 0.17 -0.15 0.02 0.00 -2.50 0.00 0.00 55.73 53.27 3gas s ARG 219 Cb -0.02 -1.19 -0.01 0.00 0.06 0.00 0.00 34.95 33.80 3gas s ARG 219 CO 0.05 -0.17 -0.18 0.12 -2.50 0.00 0.00 175.30 172.62 3gas s PHE 220 N 1.38 2.71 -0.16 5.12 5.36 -0.30 -1.15 117.98 130.94 3gas s PHE 220 Ca -0.03 -0.89 0.00 0.00 -0.96 0.00 0.00 56.93 55.05 3gas s PHE 220 Cb -0.14 -1.80 0.02 0.00 -0.34 0.00 0.00 43.02 40.77 3gas s PHE 220 CO -0.03 -0.35 -0.14 0.08 -1.46 0.00 0.00 175.22 173.31 3gas s VAL 221 N 0.45 1.65 -0.00 3.12 1.01 -0.27 -0.38 120.40 125.98 3gas s VAL 221 Ca -0.13 -0.72 0.00 0.00 0.00 0.00 0.00 61.98 61.13 3gas s VAL 221 Cb -0.17 -1.56 0.00 0.00 0.00 0.00 0.00 36.38 34.65 3gas s VAL 221 CO 0.05 0.43 0.29 2.29 0.00 0.00 0.00 175.10 178.17 3gas n LYS 222 N 4.74 2.32 -3.73 2.72 2.85 -0.72 -2.13 118.16 124.22 3gas n LYS 222 Ca -0.17 -0.29 0.00 0.00 -1.05 0.00 0.00 58.31 56.80 3gas n LYS 222 Cb 0.50 -0.79 -0.00 0.00 -0.65 0.00 0.00 35.03 34.08 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 -0.42 -0.28 0.08 2.58 0.00 -1.23 -4.92 107.32 103.13 3gas s GLY 223 Ca 0.00 0.37 -0.31 0.00 0.00 0.00 0.00 44.72 44.79 3gas s GLY 223 CO 0.00 1.17 1.43 -1.36 0.00 0.00 0.00 173.10 174.33 3gas s PHE 224 N -2.50 3.04 -1.29 1.90 0.08 -1.26 -1.47 117.98 116.48 3gas s PHE 224 Ca 0.17 0.84 0.00 0.00 0.12 0.00 0.00 56.93 58.06 3gas s PHE 224 Cb 0.02 -3.71 0.00 0.00 -0.57 0.00 0.00 43.02 38.76 3gas s PHE 224 CO -0.01 -2.59 0.00 0.41 -0.10 0.00 0.00 175.22 172.93 3gas n GLY 225 N 3.60 0.91 2.32 4.36 0.00 -1.26 -4.93 105.19 110.20 3gas n GLY 225 Ca 0.12 -0.40 -0.25 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 -2.51 1.53 -4.45 1.61 6.02 -0.54 -4.88 117.38 114.15 3gas n GLN 226 Ca -0.14 -3.84 -0.32 0.00 -0.01 0.00 0.00 57.00 52.70 3gas n GLN 226 Cb 0.48 -1.69 -0.11 0.00 1.02 0.00 0.00 30.24 29.95 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 -1.93 2.97 0.02 -1.58 0.00 -1.26 -1.75 121.76 118.24 3gas s ALA 227 Ca 0.38 -1.06 0.01 0.00 0.00 0.00 0.00 51.96 51.29 3gas s ALA 227 Cb 0.19 -1.07 -0.02 0.00 0.00 0.00 0.00 23.12 22.23 3gas s ALA 227 CO -0.08 0.61 -0.05 0.71 0.00 0.00 0.00 175.76 176.96 3gas s TYR 228 N -1.02 0.43 -0.09 0.00 2.02 0.49 -1.17 117.35 118.02 3gas s TYR 228 Ca 0.17 -0.39 -0.04 0.00 -0.37 0.00 0.00 57.07 56.44 3gas s TYR 228 Cb -0.11 -0.27 -0.04 0.00 -0.40 0.00 0.00 41.96 41.14 3gas s TYR 228 CO 0.08 -0.10 0.08 -0.51 -1.57 0.00 0.00 175.55 173.53 3gas s ASP 229 N -1.15 5.85 0.02 2.29 1.01 0.69 -1.14 116.67 124.23 3gas s ASP 229 Ca -0.09 0.30 0.05 0.00 0.71 0.00 0.00 52.55 53.52 3gas s ASP 229 Cb -0.08 -1.78 -0.02 0.00 1.01 0.00 0.00 42.92 42.05 3gas s ASP 229 CO -0.00 0.38 -0.15 -0.63 0.21 0.00 0.00 175.17 174.97 3gas s ILE 230 N -1.00 1.22 -0.28 0.77 1.01 -0.05 -0.55 121.20 122.33 3gas s ILE 230 Ca 0.15 -0.91 -0.04 0.00 0.00 0.00 0.00 60.65 59.85 3gas s ILE 230 Cb -0.12 -1.07 0.15 0.00 0.01 0.00 0.00 42.46 41.43 3gas s ILE 230 CO 0.05 0.15 0.54 -0.22 0.00 0.00 0.00 174.94 175.45 3gas s LEU 231 N -0.88 -1.08 0.00 2.97 2.96 -0.66 -0.54 118.68 121.45 3gas s LEU 231 Ca 0.04 0.90 0.00 0.00 -0.22 0.00 0.00 54.13 54.85 3gas s LEU 231 Cb -0.07 1.87 0.00 0.00 0.50 0.00 0.00 46.19 48.49 3gas s LEU 231 CO 0.01 -0.26 0.00 0.61 -1.32 0.00 0.00 176.35 175.39 3gas n GLY 232 N 5.42 3.58 1.35 7.98 0.00 -1.26 -1.33 105.19 120.93 3gas n GLY 232 Ca -0.05 -0.08 0.09 0.00 0.00 0.00 0.00 46.02 45.99 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 6.54 3.97 -4.80 1.61 5.75 -1.26 -4.92 116.55 123.44 3gas n ASP 233 Ca 0.00 -2.22 -0.35 0.00 -0.01 0.00 0.00 54.79 52.21 3gas n ASP 233 Cb 0.00 -0.50 -0.07 0.00 -1.03 0.00 0.00 41.12 39.52 3gas n ASP 233 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 3gas s LYS 234 N -1.50 3.23 -0.00 0.11 -0.14 -0.44 -5.10 119.74 115.90 3gas s LYS 234 Ca 0.45 -0.30 0.00 0.00 -1.36 0.00 0.00 55.97 54.77 3gas s LYS 234 Cb 0.27 -3.00 -0.00 0.00 -1.68 0.00 0.00 37.83 33.42 3gas s LYS 234 CO 0.26 0.72 -0.01 -1.50 -0.76 0.00 0.00 175.35 174.06 3gas s ILE 235 N -1.05 0.12 0.00 2.17 2.07 -1.26 -1.65 121.20 121.61 3gas s ILE 235 Ca 0.17 -0.06 0.00 0.00 -1.41 0.00 0.00 60.65 59.35 3gas s ILE 235 Cb -0.12 -0.11 -0.00 0.00 0.13 0.00 0.00 42.46 42.36 3gas s ILE 235 CO 0.07 0.04 -0.01 0.00 -1.91 0.00 0.00 174.94 173.12 3gas s ALA 236 N -0.02 0.05 0.28 1.50 0.00 0.28 -4.97 121.76 118.88 3gas s ALA 236 Ca 0.00 -0.10 -0.29 0.00 0.00 0.00 0.00 51.96 51.57 3gas s ALA 236 Cb -0.01 0.01 -0.10 0.00 0.00 0.00 0.00 23.12 23.03 3gas s ALA 236 CO -0.00 -0.02 1.28 -0.47 0.00 0.00 0.00 175.76 176.55 3gas s TYR 237 N -0.22 3.21 -0.12 0.00 5.04 -1.26 -0.22 117.35 123.76 3gas s TYR 237 Ca -0.02 1.39 0.16 0.00 -2.44 0.00 0.00 57.07 56.15 3gas s TYR 237 Cb -0.02 -3.59 -0.09 0.00 0.35 0.00 0.00 41.96 38.61 3gas s TYR 237 CO -0.00 -1.67 1.00 0.28 -1.34 0.00 0.00 175.55 173.82 3gas h VAL 238 N 3.29 0.64 -1.89 3.14 2.07 -1.50 -3.42 116.25 118.58 3gas h VAL 238 Ca -0.47 -2.10 -0.72 0.00 0.82 0.00 0.00 66.70 64.23 3gas h VAL 238 Cb 1.22 2.16 -0.32 0.00 -1.52 0.00 0.00 31.29 32.83 3gas h VAL 238 CO 0.70 0.36 0.51 0.61 0.02 0.00 0.00 177.57 179.77 3gas n GLY 239 N 1.35 5.70 0.28 2.17 0.00 -1.26 -4.71 105.19 108.73 3gas n GLY 239 Ca -0.06 -2.58 0.19 0.00 0.00 0.00 0.00 46.02 43.57 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 2.97 0.00 -0.41 1.61 3.32 -1.99 -0.16 116.42 121.76 3gas h ASP 240 Ca 0.48 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.53 3gas h ASP 240 Cb 0.31 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.86 3gas h ASP 240 CO 1.24 0.00 0.00 0.29 -1.72 0.00 0.00 179.24 179.05 3gas n LYS 241 N -2.82 2.09 -0.53 3.56 5.02 -1.26 -5.05 118.16 119.16 3gas n LYS 241 Ca -0.02 -1.68 0.07 0.00 -2.02 0.00 0.00 58.31 54.66 3gas n LYS 241 Cb 0.08 -1.40 -0.02 0.00 -0.02 0.00 0.00 35.03 33.68 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 1.27 -1.54 2.50 0.72 0.00 -0.07 -4.83 105.19 103.23 3gas n GLY 242 Ca 0.17 -1.40 -0.46 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 -2.26 0.75 -0.12 1.61 2.85 -0.91 -4.82 115.26 112.36 3gas n ASN 243 Ca 0.00 0.73 0.11 0.00 -0.11 0.00 0.00 54.58 55.31 3gas n ASN 243 Cb 0.24 -0.61 0.07 0.00 1.24 0.00 0.00 39.78 40.72 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 3.42 0.33 -1.03 1.20 -0.04 -1.26 -4.62 135.00 132.99 3gas n PRO 244 Ca 0.26 -0.24 -0.29 0.00 -0.04 0.00 0.00 63.50 63.18 3gas n PRO 244 Cb -0.04 -1.49 0.21 0.00 -0.04 0.00 0.00 33.50 32.14 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 -2.84 1.41 -2.05 0.54 3.76 -1.26 -3.35 115.29 111.50 3gas s HIS 245 Ca 0.13 0.83 0.00 0.00 -0.15 0.00 0.00 55.06 55.87 3gas s HIS 245 Cb 0.17 -3.29 0.00 0.00 1.11 0.00 0.00 32.58 30.57 3gas s HIS 245 CO 0.72 -3.43 0.00 0.09 -0.85 0.00 0.00 174.74 171.27 3gas n ASN 246 N -4.52 -5.53 -2.43 1.40 3.02 -1.26 -1.54 115.26 104.39 3gas n ASN 246 Ca 0.07 0.35 -0.19 0.00 -0.03 0.00 0.00 54.58 54.78 3gas n ASN 246 Cb 0.58 -4.80 -0.01 0.00 -0.61 0.00 0.00 39.78 34.94 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 -2.85 -1.12 -0.61 3.10 3.72 -1.23 -4.93 117.46 113.53 3gas n PHE 247 Ca -0.22 0.02 -0.30 0.00 -0.05 0.00 0.00 57.45 56.90 3gas n PHE 247 Cb 0.68 -3.73 0.20 0.00 -0.94 0.00 0.00 39.48 35.69 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 -2.11 -1.99 -0.91 4.37 0.00 -0.59 -5.12 120.51 114.15 3gas n ALA 248 Ca -0.22 -0.85 0.00 0.00 0.00 0.00 0.00 53.44 52.37 3gas n ALA 248 Cb 0.67 -2.04 0.00 0.00 0.00 0.00 0.00 19.45 18.07 3gas n ALA 248 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22