#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1afq s VAL 17 N 0.00 5.00 -1.32 1.39 1.01 -1.23 -3.99 120.40 121.26 1afq s VAL 17 Ca 0.00 1.38 0.00 0.00 0.00 0.00 0.00 61.98 63.36 1afq s VAL 17 Cb 0.00 -4.01 0.00 0.00 0.00 0.00 0.00 36.38 32.37 1afq s VAL 17 CO 0.00 0.30 0.00 0.59 0.00 0.00 0.00 175.10 175.99 1afq n ASN 18 N 3.46 -4.50 -1.54 3.32 3.02 -1.26 -5.02 115.26 112.75 1afq n ASN 18 Ca -0.03 0.09 0.00 0.00 -0.03 0.00 0.00 54.58 54.61 1afq n ASN 18 Cb 0.51 -3.55 0.00 0.00 -0.61 0.00 0.00 39.78 36.14 1afq n ASN 18 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1afq n GLY 19 N -1.07 0.86 3.22 7.41 0.00 -1.26 -5.13 105.19 109.23 1afq n GLY 19 Ca -0.16 -1.78 -0.09 0.00 0.00 0.00 0.00 46.02 43.98 1afq n GLY 19 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1afq s GLU 20 N 1.64 0.86 0.28 1.61 -1.05 -1.26 -5.13 118.70 115.65 1afq s GLU 20 Ca 0.00 -0.86 -0.29 0.00 -0.15 0.00 0.00 54.97 53.67 1afq s GLU 20 Cb 0.00 0.36 -0.10 0.00 -0.44 0.00 0.00 34.13 33.95 1afq s GLU 20 CO 0.00 -0.28 1.31 -2.00 0.95 0.00 0.00 175.26 175.23 1afq s GLU 21 N -3.64 4.38 0.46 -4.83 2.12 -1.26 -5.01 118.70 110.91 1afq s GLU 21 Ca 0.03 2.15 -0.06 0.00 0.36 0.00 0.00 54.97 57.45 1afq s GLU 21 Cb 0.03 -3.12 -0.04 0.00 0.26 0.00 0.00 34.13 31.26 1afq s GLU 21 CO -0.10 -0.20 0.77 0.00 -0.54 0.00 0.00 175.26 175.19 1afq s ALA 22 N -0.62 3.41 0.11 6.30 0.00 -1.26 -5.03 121.76 124.68 1afq s ALA 22 Ca 0.52 -0.49 -0.31 0.00 0.00 0.00 0.00 51.96 51.69 1afq s ALA 22 Cb -0.38 -2.58 -0.08 0.00 0.00 0.00 0.00 23.12 20.08 1afq s ALA 22 CO 0.46 -0.28 1.40 0.08 0.00 0.00 0.00 175.76 177.42 1afq s VAL 23 N -2.67 3.31 0.06 0.00 1.01 -1.26 -4.89 120.40 115.97 1afq s VAL 23 Ca 0.47 0.92 -0.35 0.00 0.00 0.00 0.00 61.98 63.03 1afq s VAL 23 Cb -0.10 -3.59 -0.14 0.00 0.00 0.00 0.00 36.38 32.54 1afq s VAL 23 CO 0.43 0.07 1.60 -2.65 0.00 0.00 0.00 175.10 174.55 1afq n PRO 24 N 4.08 1.89 -0.96 2.72 -0.02 -1.26 -1.83 135.00 139.61 1afq n PRO 24 Ca 0.12 0.68 0.00 0.00 -2.02 0.00 0.00 63.50 62.28 1afq n PRO 24 Cb 0.42 -2.44 0.00 0.00 -0.02 0.00 0.00 33.50 31.46 1afq n PRO 24 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1afq n GLY 25 N 3.49 0.79 0.00 -1.23 0.00 -1.26 -4.91 105.19 102.07 1afq n GLY 25 Ca 0.19 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.33 1afq n GLY 25 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1afq n SER 26 N -0.02 0.00 -3.32 1.61 3.41 -0.76 -3.57 113.62 110.96 1afq n SER 26 Ca 0.00 0.38 -0.26 0.00 -0.26 0.00 0.00 58.87 58.73 1afq n SER 26 Cb 0.01 -0.46 -0.07 0.00 -0.26 0.00 0.00 64.21 63.43 1afq n SER 26 CO 0.00 0.00 0.00 0.79 -0.16 0.00 0.00 175.04 175.67 1afq n TRP 27 N -1.46 2.43 0.31 7.33 7.02 -1.26 -4.97 117.44 126.83 1afq n TRP 27 Ca 0.07 -3.97 0.17 0.00 -1.02 0.00 0.00 57.50 52.76 1afq n TRP 27 Cb 0.27 -0.49 0.93 0.00 -2.42 0.00 0.00 31.31 29.61 1afq n TRP 27 CO 0.00 0.00 0.00 -1.00 -2.02 0.00 0.00 177.69 174.67 1afq h PRO 28 N 4.03 0.00 0.00 -0.99 0.13 -1.76 -1.74 132.00 131.66 1afq h PRO 28 Ca 0.16 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.29 1afq h PRO 28 Cb 0.72 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.85 1afq h PRO 28 CO 0.72 0.00 -0.52 -2.67 -0.23 0.00 0.00 178.00 175.30 1afq n TRP 29 N -2.84 0.46 -2.10 1.56 2.14 -1.13 -2.32 117.44 113.21 1afq n TRP 29 Ca -0.02 0.13 -0.42 0.00 2.07 0.00 0.00 57.50 59.26 1afq n TRP 29 Cb 0.21 -0.60 -0.03 0.00 -0.81 0.00 0.00 31.31 30.08 1afq n TRP 29 CO 0.00 0.00 0.00 -1.14 2.07 0.00 0.00 177.69 178.62 1afq s GLN 30 N -3.12 4.19 0.32 -2.67 2.00 -0.66 -0.93 119.66 118.79 1afq s GLN 30 Ca 0.08 2.07 0.10 0.00 -2.00 0.00 0.00 55.36 55.61 1afq s GLN 30 Cb 0.14 -3.94 -0.06 0.00 0.80 0.00 0.00 33.01 29.96 1afq s GLN 30 CO 0.70 -0.81 -0.11 0.14 -0.50 0.00 0.00 175.29 174.70 1afq s VAL 31 N 3.91 2.44 -0.08 1.34 -7.23 -0.45 -4.48 120.40 115.85 1afq s VAL 31 Ca 0.69 -2.23 0.02 0.00 -1.81 0.00 0.00 61.98 58.66 1afq s VAL 31 Cb -0.31 -2.56 -0.02 0.00 0.56 0.00 0.00 36.38 34.05 1afq s VAL 31 CO 0.26 -0.28 -0.16 -0.55 -0.31 0.00 0.00 175.10 174.07 1afq s SER 32 N -3.59 3.86 -0.29 4.85 0.15 -0.45 -2.28 113.70 115.94 1afq s SER 32 Ca 0.32 -0.30 -0.11 0.00 0.70 0.00 0.00 55.95 56.56 1afq s SER 32 Cb -0.01 -1.17 -0.04 0.00 -1.71 0.00 0.00 66.02 63.09 1afq s SER 32 CO 0.17 0.25 0.19 -0.76 1.20 0.00 0.00 173.24 174.28 1afq s LEU 33 N -0.18 4.06 0.01 3.45 1.43 0.59 -0.70 118.68 127.34 1afq s LEU 33 Ca -0.01 -0.13 0.07 0.00 -1.03 0.00 0.00 54.13 53.03 1afq s LEU 33 Cb -0.13 -2.10 -0.02 0.00 0.03 0.00 0.00 46.19 43.97 1afq s LEU 33 CO 0.03 -0.09 -0.22 -1.10 0.23 0.00 0.00 176.35 175.20 1afq s GLN 34 N 1.73 1.67 0.98 1.70 -0.21 -0.27 -1.39 119.66 123.87 1afq s GLN 34 Ca 0.07 -0.85 -0.16 0.00 0.02 0.00 0.00 55.36 54.43 1afq s GLN 34 Cb -0.16 -1.68 0.20 0.00 1.00 0.00 0.00 33.01 32.37 1afq s GLN 34 CO 0.10 0.45 1.30 0.16 -2.12 0.00 0.00 175.29 175.18 1afq s ASP 35 N -0.76 2.98 0.66 5.90 1.47 -0.79 -0.22 116.67 125.92 1afq s ASP 35 Ca 0.08 0.31 0.42 0.00 1.18 0.00 0.00 52.55 54.54 1afq s ASP 35 Cb -0.09 -0.38 2.30 0.00 -0.34 0.00 0.00 42.92 44.41 1afq s ASP 35 CO 0.00 -2.82 2.32 0.07 0.68 0.00 0.00 175.17 175.42 1afq h LYS 36 N -1.70 0.00 -0.00 2.11 2.10 -1.93 0.27 116.57 117.42 1afq h LYS 36 Ca -0.44 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.21 1afq h LYS 36 Cb 1.24 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.57 1afq h LYS 36 CO 0.38 0.00 -0.13 0.25 -2.00 0.00 0.00 179.45 177.96 1afq n THR 37 N -3.15 0.00 -0.46 0.07 -2.24 -1.26 -4.92 114.28 102.33 1afq n THR 37 Ca -0.03 -0.06 0.00 0.00 -2.27 0.00 0.00 64.05 61.70 1afq n THR 37 Cb 0.10 -0.08 0.00 0.00 -2.10 0.00 0.00 70.33 68.25 1afq n THR 37 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1afq n GLY 38 N 1.31 0.76 3.65 3.38 0.00 0.08 -5.05 105.19 109.31 1afq n GLY 38 Ca 0.13 -0.14 -0.41 0.00 0.00 0.00 0.00 46.02 45.60 1afq n GLY 38 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1afq s PHE 39 N -2.00 3.35 -0.05 1.61 5.36 -1.25 -4.82 117.98 120.17 1afq s PHE 39 Ca 0.00 1.13 -0.30 0.00 -0.96 0.00 0.00 56.93 56.81 1afq s PHE 39 Cb 0.00 -3.00 -0.04 0.00 -0.34 0.00 0.00 43.02 39.64 1afq s PHE 39 CO 0.00 -0.32 1.26 -1.58 -1.46 0.00 0.00 175.22 173.12 1afq s HIS 40 N 2.50 3.07 0.00 10.12 5.65 -1.26 -1.88 115.29 133.49 1afq s HIS 40 Ca 0.35 1.09 0.00 0.00 0.25 0.00 0.00 55.06 56.75 1afq s HIS 40 Cb -0.16 -3.49 0.00 0.00 -1.18 0.00 0.00 32.58 27.75 1afq s HIS 40 CO 0.09 -1.64 0.00 1.97 -0.65 0.00 0.00 174.74 174.51 1afq n PHE 41 N 5.37 0.00 -3.59 3.88 1.16 -0.49 -5.01 117.46 118.79 1afq n PHE 41 Ca 0.12 0.00 -0.09 0.00 -1.87 0.00 0.00 57.45 55.60 1afq n PHE 41 Cb 0.45 0.00 -0.02 0.00 -1.61 0.00 0.00 39.48 38.30 1afq n PHE 41 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1afq s GLY 43 N -2.78 2.17 0.09 0.00 0.00 -1.26 -0.30 107.32 105.25 1afq s GLY 43 Ca 0.05 -1.53 -0.27 0.00 0.00 0.00 0.00 44.72 42.98 1afq s GLY 43 CO -0.05 -1.87 1.09 -0.32 0.00 0.00 0.00 173.10 171.95 1afq s GLY 44 N -4.41 -0.25 -0.03 0.20 0.00 -0.97 -4.68 107.32 97.19 1afq s GLY 44 Ca 0.42 0.26 0.02 0.00 0.00 0.00 0.00 44.72 45.42 1afq s GLY 44 CO 0.27 0.51 -0.06 -0.56 0.00 0.00 0.00 173.10 173.25 1afq s SER 45 N -3.04 0.97 -0.02 1.64 0.01 -0.37 -1.34 113.70 111.55 1afq s SER 45 Ca 0.15 -0.14 -0.30 0.00 1.31 0.00 0.00 55.95 56.96 1afq s SER 45 Cb 0.01 -0.33 -0.04 0.00 0.21 0.00 0.00 66.02 65.87 1afq s SER 45 CO 0.00 0.01 1.15 -0.76 0.41 0.00 0.00 173.24 174.06 1afq s LEU 46 N 0.44 4.31 -0.00 2.44 1.43 -0.11 -0.94 118.68 126.25 1afq s LEU 46 Ca -0.06 1.81 0.15 0.00 -1.03 0.00 0.00 54.13 55.01 1afq s LEU 46 Cb -0.10 -3.57 -0.17 0.00 0.03 0.00 0.00 46.19 42.38 1afq s LEU 46 CO 0.00 -0.49 0.61 2.30 0.23 0.00 0.00 176.35 179.00 1afq n ILE 47 N 4.32 0.00 -3.97 -0.59 -5.35 -0.62 -1.97 119.36 111.19 1afq n ILE 47 Ca 0.09 -0.16 0.01 0.00 -0.27 0.00 0.00 62.75 62.42 1afq n ILE 47 Cb 0.47 0.90 0.01 0.00 -1.74 0.00 0.00 39.64 39.29 1afq n ILE 47 CO 0.00 0.00 0.00 -0.46 -1.76 0.00 0.00 176.55 174.33 1afq n ASN 48 N -1.44 -1.30 0.30 7.28 0.23 -1.22 -4.74 115.26 114.37 1afq n ASN 48 Ca 0.02 -1.41 0.17 0.00 -0.53 0.00 0.00 54.58 52.83 1afq n ASN 48 Cb 0.26 2.04 0.92 0.00 -2.08 0.00 0.00 39.78 40.92 1afq n ASN 48 CO 0.00 0.00 0.00 -0.33 -0.93 0.00 0.00 177.26 176.00 1afq h GLU 49 N 0.00 0.00 -0.01 -3.83 3.07 -1.96 -3.18 114.58 108.67 1afq h GLU 49 Ca -0.22 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.64 1afq h GLU 49 Cb 1.14 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.05 1afq h GLU 49 CO 0.31 0.04 -0.08 0.09 -1.40 0.00 0.00 179.01 177.98 1afq n ASN 50 N -3.48 1.25 -4.03 1.42 4.13 -1.26 -0.65 115.26 112.64 1afq n ASN 50 Ca -0.02 -1.13 -0.19 0.00 1.68 0.00 0.00 54.58 54.92 1afq n ASN 50 Cb 0.15 0.27 -0.15 0.00 -1.54 0.00 0.00 39.78 38.51 1afq n ASN 50 CO 0.00 0.00 0.00 0.26 0.28 0.00 0.00 177.26 177.80 1afq s TRP 51 N -0.86 0.86 -0.02 3.10 0.52 -1.20 -0.67 118.94 120.67 1afq s TRP 51 Ca 0.07 -0.16 0.05 0.00 0.02 0.00 0.00 56.10 56.07 1afq s TRP 51 Cb 0.06 -0.56 -0.01 0.00 -1.15 0.00 0.00 33.47 31.81 1afq s TRP 51 CO 0.13 -0.02 -0.18 0.08 0.02 0.00 0.00 176.95 176.99 1afq s VAL 52 N -0.21 1.41 -0.11 4.03 1.01 -0.72 -1.58 120.40 124.22 1afq s VAL 52 Ca 0.04 -0.74 -0.01 0.00 0.00 0.00 0.00 61.98 61.26 1afq s VAL 52 Cb -0.04 -1.19 -0.03 0.00 0.00 0.00 0.00 36.38 35.12 1afq s VAL 52 CO -0.00 0.40 -0.05 0.54 0.00 0.00 0.00 175.10 175.99 1afq s VAL 53 N -0.25 3.84 0.09 2.92 0.11 -0.12 -0.55 120.40 126.45 1afq s VAL 53 Ca 0.03 -0.40 -0.00 0.00 -2.93 0.00 0.00 61.98 58.68 1afq s VAL 53 Cb -0.09 -2.63 0.00 0.00 -1.53 0.00 0.00 36.38 32.14 1afq s VAL 53 CO 0.00 0.55 0.11 1.07 -3.33 0.00 0.00 175.10 173.51 1afq n THR 54 N 2.82 0.00 -3.23 5.04 5.66 -0.12 -1.24 114.28 123.22 1afq n THR 54 Ca -0.18 -0.48 -0.37 0.00 -3.05 0.00 0.00 64.05 59.97 1afq n THR 54 Cb 0.53 0.28 -0.06 0.00 -1.55 0.00 0.00 70.33 69.53 1afq n THR 54 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1afq s ALA 55 N -1.96 3.52 0.35 1.79 0.00 -1.26 -1.13 121.76 123.07 1afq s ALA 55 Ca 0.08 0.04 0.05 0.00 0.00 0.00 0.00 51.96 52.13 1afq s ALA 55 Cb -0.00 -2.67 0.65 0.00 0.00 0.00 0.00 23.12 21.09 1afq s ALA 55 CO 0.06 0.39 1.91 0.00 0.00 0.00 0.00 175.76 178.11 1afq h ALA 56 N 3.86 1.43 0.00 0.00 0.00 -1.74 -2.67 119.26 120.14 1afq h ALA 56 Ca -0.49 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.25 1afq h ALA 56 Cb 1.20 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.84 1afq h ALA 56 CO 0.65 0.41 0.00 -2.39 0.00 0.00 0.00 179.25 177.92 1afq n HIS 57 N -4.31 0.00 0.29 0.00 1.44 -1.26 -2.35 115.22 109.03 1afq n HIS 57 Ca 0.02 0.00 0.19 0.00 -2.01 0.00 0.00 57.72 55.91 1afq n HIS 57 Cb 0.22 -0.42 0.83 0.00 0.12 0.00 0.00 29.99 30.73 1afq n HIS 57 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1afq n GLY 59 N -0.27 -0.51 3.77 0.00 0.00 -0.99 -4.94 105.19 102.24 1afq n GLY 59 Ca -0.00 0.23 -0.40 0.00 0.00 0.00 0.00 46.02 45.85 1afq n GLY 59 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1afq s VAL 60 N -3.33 2.65 0.42 1.61 1.01 -1.26 -5.04 120.40 116.46 1afq s VAL 60 Ca 0.49 0.59 0.04 0.00 0.00 0.00 0.00 61.98 63.11 1afq s VAL 60 Cb -0.22 -3.35 -0.05 0.00 0.00 0.00 0.00 36.38 32.75 1afq s VAL 60 CO 0.74 0.09 0.03 0.42 0.00 0.00 0.00 175.10 176.38 1afq s THR 61 N -1.25 1.44 -1.68 3.92 -4.23 -1.26 -4.98 115.64 107.60 1afq s THR 61 Ca 0.56 -2.00 0.23 0.00 -1.18 0.00 0.00 61.69 59.29 1afq s THR 61 Cb -0.38 -2.67 0.51 0.00 1.34 0.00 0.00 72.50 71.30 1afq s THR 61 CO 0.49 0.00 1.74 0.35 -0.54 0.00 0.00 174.62 176.66 1afq n THR 62 N -0.97 0.17 1.02 3.99 -2.24 -1.26 -2.42 114.28 112.57 1afq n THR 62 Ca -0.08 0.04 0.12 0.00 -2.27 0.00 0.00 64.05 61.86 1afq n THR 62 Cb 0.67 -0.68 0.17 0.00 -2.10 0.00 0.00 70.33 68.39 1afq n THR 62 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1afq n SER 63 N -1.16 0.71 -4.91 3.42 7.64 -1.26 -4.51 113.62 113.54 1afq n SER 63 Ca 0.14 -0.51 -0.27 0.00 1.01 0.00 0.00 58.87 59.23 1afq n SER 63 Cb 0.13 0.41 0.04 0.00 -1.01 0.00 0.00 64.21 63.78 1afq n SER 63 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 1afq s ASP 64 N -2.94 5.42 0.00 6.43 1.01 -1.01 -4.14 116.67 121.44 1afq s ASP 64 Ca 0.12 0.79 0.07 0.00 0.71 0.00 0.00 52.55 54.24 1afq s ASP 64 Cb 0.17 -1.67 -0.02 0.00 1.01 0.00 0.00 42.92 42.41 1afq s ASP 64 CO 0.72 -1.23 -0.21 -0.69 0.21 0.00 0.00 175.17 173.97 1afq s VAL 65 N -3.14 1.63 -0.27 -1.27 1.01 0.69 -4.33 120.40 114.73 1afq s VAL 65 Ca 0.56 -0.97 -0.13 0.00 0.00 0.00 0.00 61.98 61.44 1afq s VAL 65 Cb -0.11 -1.37 -0.04 0.00 0.00 0.00 0.00 36.38 34.85 1afq s VAL 65 CO 0.47 0.38 0.26 -0.69 0.00 0.00 0.00 175.10 175.53 1afq s VAL 66 N -0.57 5.26 -0.24 2.92 1.01 -0.59 -1.11 120.40 127.08 1afq s VAL 66 Ca 0.08 0.34 -0.05 0.00 0.00 0.00 0.00 61.98 62.35 1afq s VAL 66 Cb -0.08 -3.60 -0.01 0.00 0.00 0.00 0.00 36.38 32.69 1afq s VAL 66 CO -0.00 0.23 0.02 -0.69 0.00 0.00 0.00 175.10 174.66 1afq s VAL 67 N 1.76 3.79 0.19 2.92 1.01 0.12 -0.06 120.40 130.13 1afq s VAL 67 Ca 0.11 -0.42 0.09 0.00 0.00 0.00 0.00 61.98 61.75 1afq s VAL 67 Cb -0.16 -2.79 -0.04 0.00 0.00 0.00 0.00 36.38 33.40 1afq s VAL 67 CO 0.10 0.34 -0.06 0.00 0.00 0.00 0.00 175.10 175.47 1afq s ALA 68 N 1.53 3.04 -0.21 5.51 0.00 -0.05 -1.34 121.76 130.24 1afq s ALA 68 Ca 0.05 -1.47 0.00 0.00 0.00 0.00 0.00 51.96 50.55 1afq s ALA 68 Cb -0.15 -0.81 0.00 0.00 0.00 0.00 0.00 23.12 22.16 1afq s ALA 68 CO 0.00 0.44 0.00 0.41 0.00 0.00 0.00 175.76 176.62 1afq n GLY 69 N -0.12 0.53 3.88 0.00 0.00 -1.26 -0.93 105.19 107.29 1afq n GLY 69 Ca -0.10 -0.31 -0.33 0.00 0.00 0.00 0.00 46.02 45.28 1afq n GLY 69 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1afq s GLU 70 N -1.23 3.73 0.13 1.61 2.12 -1.26 -4.61 118.70 119.19 1afq s GLU 70 Ca 0.00 0.12 0.00 0.00 0.36 0.00 0.00 54.97 55.45 1afq s GLU 70 Cb 0.00 -2.86 0.00 0.00 0.26 0.00 0.00 34.13 31.53 1afq s GLU 70 CO 0.00 0.47 0.00 0.34 -0.54 0.00 0.00 175.26 175.53 1afq n PHE 71 N 0.38 -0.71 -3.66 5.30 7.35 -1.26 -4.87 117.46 120.00 1afq n PHE 71 Ca -0.04 0.13 -0.39 0.00 -0.76 0.00 0.00 57.45 56.38 1afq n PHE 71 Cb 0.52 0.20 -0.11 0.00 0.35 0.00 0.00 39.48 40.44 1afq n PHE 71 CO 0.00 0.00 0.00 0.34 -0.76 0.00 0.00 176.76 176.34 1afq s ASP 72 N -5.50 5.56 0.00 -2.13 -1.08 -1.26 -4.97 116.67 107.29 1afq s ASP 72 Ca 0.00 -1.15 0.15 0.00 -0.52 0.00 0.00 52.55 51.04 1afq s ASP 72 Cb 0.00 -1.96 0.71 0.00 -1.46 0.00 0.00 42.92 40.21 1afq s ASP 72 CO 0.00 -0.39 1.47 0.00 0.52 0.00 0.00 175.17 176.77 1afq n GLN 73 N 4.91 0.09 0.00 4.34 6.02 -1.26 -2.09 117.38 129.39 1afq n GLN 73 Ca -0.12 0.20 0.12 0.00 -0.01 0.00 0.00 57.00 57.19 1afq n GLN 73 Cb 0.45 -1.50 0.08 0.00 1.02 0.00 0.00 30.24 30.29 1afq n GLN 73 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1afq n GLY 74 N 0.07 0.27 3.85 1.08 0.00 -1.26 -4.95 105.19 104.24 1afq n GLY 74 Ca 0.05 -0.63 -0.36 0.00 0.00 0.00 0.00 46.02 45.08 1afq n GLY 74 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1afq s SER 75 N -2.32 6.80 0.00 1.61 0.15 -0.89 -4.99 113.70 114.07 1afq s SER 75 Ca 0.22 1.01 0.17 0.00 0.70 0.00 0.00 55.95 58.06 1afq s SER 75 Cb 0.19 -2.26 -0.00 0.00 -1.71 0.00 0.00 66.02 62.23 1afq s SER 75 CO 0.48 0.16 0.90 -1.54 1.20 0.00 0.00 173.24 174.45 1afq n SER 76 N 1.04 1.72 -1.13 5.45 3.41 -1.26 -4.48 113.62 118.37 1afq n SER 76 Ca -0.07 -1.36 0.10 0.00 -0.26 0.00 0.00 58.87 57.28 1afq n SER 76 Cb 0.52 0.47 0.25 0.00 -0.26 0.00 0.00 64.21 65.19 1afq n SER 76 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1afq n SER 77 N -0.09 3.56 -4.76 4.04 3.41 -1.26 -4.94 113.62 113.58 1afq n SER 77 Ca 0.07 -1.98 -0.40 0.00 -0.26 0.00 0.00 58.87 56.31 1afq n SER 77 Cb 0.37 -0.37 -0.06 0.00 -0.26 0.00 0.00 64.21 63.89 1afq n SER 77 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1afq s GLU 78 N -1.10 4.58 -1.16 4.33 2.02 -1.26 -4.97 118.70 121.14 1afq s GLU 78 Ca 0.40 1.18 -0.15 0.00 0.02 0.00 0.00 54.97 56.41 1afq s GLU 78 Cb 0.21 -3.29 0.15 0.00 0.10 0.00 0.00 34.13 31.30 1afq s GLU 78 CO 0.28 0.48 1.41 0.15 0.02 0.00 0.00 175.26 177.61 1afq s LYS 79 N -0.84 3.97 0.56 1.61 1.02 -1.26 -4.99 119.74 119.82 1afq s LYS 79 Ca 0.37 -2.32 -0.03 0.00 0.02 0.00 0.00 55.97 54.01 1afq s LYS 79 Cb -0.23 -5.09 0.02 0.00 -0.52 0.00 0.00 37.83 32.01 1afq s LYS 79 CO 0.26 -1.83 0.83 0.96 -0.92 0.00 0.00 175.35 174.65 1afq s ILE 80 N 2.16 3.33 -0.18 2.17 -4.36 -1.26 -4.89 121.20 118.17 1afq s ILE 80 Ca 0.42 -0.30 0.01 0.00 -0.26 0.00 0.00 60.65 60.52 1afq s ILE 80 Cb -0.02 -3.30 0.03 0.00 1.25 0.00 0.00 42.46 40.41 1afq s ILE 80 CO -0.01 -0.26 -0.17 -1.10 0.24 0.00 0.00 174.94 173.64 1afq s GLN 81 N -4.87 2.64 -0.48 0.37 -0.21 -0.10 -4.98 119.66 112.02 1afq s GLN 81 Ca 0.54 -0.80 -0.16 0.00 0.02 0.00 0.00 55.36 54.96 1afq s GLN 81 Cb -0.10 -2.46 0.07 0.00 1.00 0.00 0.00 33.01 31.52 1afq s GLN 81 CO 0.42 -0.27 0.44 0.15 -2.12 0.00 0.00 175.29 173.91 1afq s LYS 82 N 1.34 3.00 -0.17 2.91 1.02 -1.26 -0.87 119.74 125.70 1afq s LYS 82 Ca 0.03 -1.30 -0.08 0.00 0.02 0.00 0.00 55.97 54.64 1afq s LYS 82 Cb -0.14 -4.14 -0.04 0.00 -0.52 0.00 0.00 37.83 32.99 1afq s LYS 82 CO -0.11 -1.08 0.09 -0.51 -0.92 0.00 0.00 175.35 172.82 1afq s LEU 83 N 1.80 4.03 0.40 3.17 1.43 0.91 -4.95 118.68 125.46 1afq s LEU 83 Ca 0.06 0.20 -0.19 0.00 -1.03 0.00 0.00 54.13 53.17 1afq s LEU 83 Cb -0.24 -2.01 -0.10 0.00 0.03 0.00 0.00 46.19 43.87 1afq s LEU 83 CO 0.07 0.23 0.89 -0.54 0.23 0.00 0.00 176.35 177.23 1afq s LYS 84 N 0.05 4.14 -0.25 1.70 1.02 -1.26 -1.53 119.74 123.61 1afq s LYS 84 Ca 0.07 0.97 -0.10 0.00 0.02 0.00 0.00 55.97 56.94 1afq s LYS 84 Cb -0.12 -2.25 -0.05 0.00 -0.52 0.00 0.00 37.83 34.89 1afq s LYS 84 CO 0.00 0.01 0.15 0.42 -0.92 0.00 0.00 175.35 175.01 1afq s ILE 85 N -2.15 5.16 -0.10 2.17 1.01 -1.26 -0.61 121.20 125.41 1afq s ILE 85 Ca 0.59 0.11 -0.22 0.00 0.00 0.00 0.00 60.65 61.14 1afq s ILE 85 Cb -0.09 -3.41 -0.28 0.00 0.01 0.00 0.00 42.46 38.69 1afq s ILE 85 CO 0.16 0.33 0.70 0.00 0.00 0.00 0.00 174.94 176.13 1afq h ALA 86 N 7.77 0.04 -2.89 9.38 0.00 -1.02 -3.44 119.26 129.10 1afq h ALA 86 Ca -0.37 -0.81 -0.15 0.00 0.00 0.00 0.00 54.91 53.58 1afq h ALA 86 Cb 1.18 0.24 -0.23 0.00 0.00 0.00 0.00 17.79 18.98 1afq h ALA 86 CO 0.62 0.44 -0.44 0.15 0.00 0.00 0.00 179.25 180.02 1afq s LYS 87 N -2.38 0.43 -0.23 0.00 1.02 -1.06 -5.00 119.74 112.52 1afq s LYS 87 Ca -0.18 -0.08 -0.06 0.00 0.02 0.00 0.00 55.97 55.67 1afq s LYS 87 Cb 0.01 0.19 -0.02 0.00 -0.52 0.00 0.00 37.83 37.49 1afq s LYS 87 CO 0.75 -0.09 0.02 0.08 -0.92 0.00 0.00 175.35 175.19 1afq s VAL 88 N -0.78 3.94 -0.68 3.17 1.01 -1.26 -1.48 120.40 124.32 1afq s VAL 88 Ca -0.09 -0.30 -0.05 0.00 0.00 0.00 0.00 61.98 61.54 1afq s VAL 88 Cb -0.05 -2.81 0.18 0.00 0.00 0.00 0.00 36.38 33.69 1afq s VAL 88 CO 0.02 0.39 0.52 -0.36 0.00 0.00 0.00 175.10 175.66 1afq s PHE 89 N 1.43 3.48 -0.13 5.22 0.40 0.10 -4.99 117.98 123.49 1afq s PHE 89 Ca 0.05 -2.61 -0.28 0.00 -0.60 0.00 0.00 56.93 53.50 1afq s PHE 89 Cb -0.15 -3.31 -0.01 0.00 0.51 0.00 0.00 43.02 40.06 1afq s PHE 89 CO 0.01 -0.86 0.92 0.21 0.70 0.00 0.00 175.22 176.20 1afq s LYS 90 N -0.10 4.37 0.10 0.44 2.20 -1.26 -1.06 119.74 124.43 1afq s LYS 90 Ca 0.18 1.22 -0.35 0.00 -0.36 0.00 0.00 55.97 56.66 1afq s LYS 90 Cb -0.18 -3.55 -0.14 0.00 -1.51 0.00 0.00 37.83 32.45 1afq s LYS 90 CO -0.05 -0.30 1.55 -1.71 -0.36 0.00 0.00 175.35 174.49 1afq n ASN 91 N 5.03 2.73 0.28 1.43 2.85 -0.97 -4.85 115.26 121.77 1afq n ASN 91 Ca 0.07 1.08 0.15 0.00 -0.11 0.00 0.00 54.58 55.76 1afq n ASN 91 Cb 0.49 -1.35 0.83 0.00 1.24 0.00 0.00 39.78 40.99 1afq n ASN 91 CO 0.00 0.00 0.00 0.77 -2.11 0.00 0.00 177.26 175.92 1afq h SER 92 N 5.96 0.00 0.56 1.20 4.64 -1.93 -1.87 113.55 122.10 1afq h SER 92 Ca -0.46 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 1afq h SER 92 Cb 1.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.37 1afq h SER 92 CO 0.87 0.07 -0.04 0.29 -0.87 0.00 0.00 176.83 177.15 1afq n LYS 93 N -3.60 0.44 -1.70 4.77 5.02 -1.26 -4.86 118.16 116.97 1afq n LYS 93 Ca -0.02 -0.05 -0.43 0.00 -2.02 0.00 0.00 58.31 55.79 1afq n LYS 93 Cb 0.18 -1.50 -0.03 0.00 -0.02 0.00 0.00 35.03 33.66 1afq n LYS 93 CO 0.00 0.00 0.00 0.98 -0.52 0.00 0.00 177.40 177.86 1afq n TYR 94 N -1.23 2.61 -3.94 2.13 9.36 -0.70 -4.67 117.16 120.71 1afq n TYR 94 Ca 0.13 -0.02 -0.34 0.00 3.32 0.00 0.00 57.90 61.00 1afq n TYR 94 Cb 0.26 -2.68 -0.14 0.00 -0.63 0.00 0.00 39.34 36.15 1afq n TYR 94 CO 0.00 0.00 0.00 1.21 0.22 0.00 0.00 176.86 178.29 1afq s ASN 95 N 1.97 4.84 0.57 2.98 3.84 -0.55 -4.98 114.94 123.61 1afq s ASN 95 Ca 0.79 -1.70 0.37 0.00 0.21 0.00 0.00 52.86 52.53 1afq s ASN 95 Cb -0.53 -1.68 1.73 0.00 -0.55 0.00 0.00 41.25 40.22 1afq s ASN 95 CO 0.36 -0.34 2.10 0.77 -2.79 0.00 0.00 177.10 177.20 1afq h SER 96 N 7.86 0.00 -0.01 -4.21 4.64 -1.93 0.42 113.55 120.32 1afq h SER 96 Ca -0.14 0.00 -0.22 0.00 -0.47 0.00 0.00 61.79 60.95 1afq h SER 96 Cb 1.04 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 63.15 1afq h SER 96 CO 0.55 0.00 -0.87 -0.07 -0.87 0.00 0.00 176.83 175.57 1afq h LEU 97 N 0.00 0.78 -0.66 5.97 3.38 -1.97 -3.32 115.31 119.50 1afq h LEU 97 Ca 0.00 -0.74 0.00 0.00 0.09 0.00 0.00 57.88 57.23 1afq h LEU 97 Cb 0.30 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.82 1afq h LEU 97 CO 0.00 1.42 -0.53 0.35 0.09 0.00 0.00 178.44 179.76 1afq n THR 98 N -3.99 0.00 -1.98 0.22 -2.24 -1.14 -4.97 114.28 100.17 1afq n THR 98 Ca -0.10 -0.23 -0.16 0.00 -2.27 0.00 0.00 64.05 61.28 1afq n THR 98 Cb 0.80 1.15 -0.03 0.00 -2.10 0.00 0.00 70.33 70.15 1afq n THR 98 CO 0.00 0.00 0.00 -0.38 -0.57 0.00 0.00 175.07 174.12 1afq n ILE 99 N -0.48 -0.47 -3.22 2.28 5.41 0.14 -4.99 119.36 118.03 1afq n ILE 99 Ca 0.06 0.00 -0.34 0.00 1.00 0.00 0.00 62.75 63.48 1afq n ILE 99 Cb 0.36 -2.15 -0.06 0.00 -0.71 0.00 0.00 39.64 37.08 1afq n ILE 99 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 176.55 176.76 1afq s ASN 100 N -2.48 6.81 -1.23 4.38 3.04 -1.03 -4.11 114.94 120.33 1afq s ASN 100 Ca 0.00 1.21 -0.02 0.00 0.04 0.00 0.00 52.86 54.09 1afq s ASN 100 Cb 0.00 -2.34 0.00 0.00 -1.54 0.00 0.00 41.25 37.37 1afq s ASN 100 CO 0.00 -0.08 1.03 0.59 -3.04 0.00 0.00 177.10 175.60 1afq n ASN 101 N 0.08 -2.82 -4.17 -4.21 3.02 -1.26 -1.48 115.26 104.42 1afq n ASN 101 Ca 0.00 -0.61 -0.43 0.00 -0.03 0.00 0.00 54.58 53.52 1afq n ASN 101 Cb 0.52 -5.11 0.00 0.00 -0.61 0.00 0.00 39.78 34.58 1afq n ASN 101 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 1afq n ASP 102 N -3.11 4.47 -3.79 6.41 2.03 -1.26 -4.03 116.55 117.28 1afq n ASP 102 Ca -0.24 -2.89 -0.13 0.00 0.52 0.00 0.00 54.79 52.05 1afq n ASP 102 Cb 0.65 -1.69 -0.12 0.00 -0.72 0.00 0.00 41.12 39.24 1afq n ASP 102 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 1afq s ILE 103 N 3.55 -0.00 0.00 5.18 2.07 -1.26 -3.47 121.20 127.27 1afq s ILE 103 Ca 0.50 0.00 0.01 0.00 -1.41 0.00 0.00 60.65 59.75 1afq s ILE 103 Cb 0.08 -0.33 -0.01 0.00 0.13 0.00 0.00 42.46 42.34 1afq s ILE 103 CO -0.00 0.00 -0.03 -0.89 -1.91 0.00 0.00 174.94 172.11 1afq s THR 104 N 0.14 0.19 -0.07 4.00 2.01 -0.28 -2.29 115.64 119.33 1afq s THR 104 Ca -0.00 -0.28 0.01 0.00 0.31 0.00 0.00 61.69 61.73 1afq s THR 104 Cb -0.02 -0.20 -0.03 0.00 0.01 0.00 0.00 72.50 72.26 1afq s THR 104 CO 0.00 -0.06 -0.07 -0.76 -0.69 0.00 0.00 174.62 173.04 1afq s LEU 105 N -0.36 3.16 -0.17 4.42 1.43 -0.22 -0.94 118.68 126.00 1afq s LEU 105 Ca -0.02 -0.03 0.01 0.00 -1.03 0.00 0.00 54.13 53.05 1afq s LEU 105 Cb -0.03 -1.69 0.01 0.00 0.03 0.00 0.00 46.19 44.51 1afq s LEU 105 CO -0.00 0.36 -0.17 -0.76 0.23 0.00 0.00 176.35 176.00 1afq s LEU 106 N -0.77 2.31 -0.22 1.79 1.43 0.29 0.02 118.68 123.53 1afq s LEU 106 Ca 0.12 -0.56 -0.16 0.00 -1.03 0.00 0.00 54.13 52.50 1afq s LEU 106 Cb -0.11 -1.52 -0.04 0.00 0.03 0.00 0.00 46.19 44.55 1afq s LEU 106 CO 0.01 0.04 0.42 -0.75 0.23 0.00 0.00 176.35 176.31 1afq s LYS 107 N 1.04 4.13 0.30 1.70 2.20 -0.55 -1.76 119.74 126.80 1afq s LYS 107 Ca -0.01 0.21 -0.28 0.00 -0.36 0.00 0.00 55.97 55.53 1afq s LYS 107 Cb -0.14 -3.58 -0.09 0.00 -1.51 0.00 0.00 37.83 32.51 1afq s LYS 107 CO -0.05 -0.14 1.01 -0.51 -0.36 0.00 0.00 175.35 175.30 1afq s LEU 108 N 1.62 4.47 0.06 5.43 1.43 0.16 -0.47 118.68 131.37 1afq s LEU 108 Ca 0.19 2.05 -0.17 0.00 -1.03 0.00 0.00 54.13 55.17 1afq s LEU 108 Cb -0.15 -3.79 -0.18 0.00 0.03 0.00 0.00 46.19 42.09 1afq s LEU 108 CO 0.09 -0.09 1.23 -1.28 0.23 0.00 0.00 176.35 176.53 1afq h SER 109 N 3.56 0.71 -3.31 2.29 0.87 -1.15 -3.42 113.55 113.10 1afq h SER 109 Ca -0.46 -0.65 -0.66 0.00 -1.23 0.00 0.00 61.79 58.78 1afq h SER 109 Cb 1.20 -0.21 -0.29 0.00 -0.44 0.00 0.00 62.40 62.67 1afq h SER 109 CO 0.66 1.25 -0.79 0.42 -0.53 0.00 0.00 176.83 177.84 1afq s THR 110 N -3.64 2.82 0.38 2.23 -4.23 -1.25 -4.99 115.64 106.96 1afq s THR 110 Ca -0.12 -0.73 -0.27 0.00 -1.18 0.00 0.00 61.69 59.39 1afq s THR 110 Cb 0.06 -2.18 -0.09 0.00 1.34 0.00 0.00 72.50 71.63 1afq s THR 110 CO 0.85 0.52 1.30 0.00 -0.54 0.00 0.00 174.62 176.75 1afq s ALA 111 N 0.59 3.34 0.59 3.99 0.00 -1.26 -4.73 121.76 124.27 1afq s ALA 111 Ca -0.09 1.24 -0.17 0.00 0.00 0.00 0.00 51.96 52.95 1afq s ALA 111 Cb -0.16 -3.48 -0.04 0.00 0.00 0.00 0.00 23.12 19.44 1afq s ALA 111 CO 0.03 -0.76 1.08 0.00 0.00 0.00 0.00 175.76 176.12 1afq s ALA 112 N -1.22 2.67 -0.38 0.00 0.00 0.17 -5.01 121.76 117.99 1afq s ALA 112 Ca 0.54 0.55 -0.12 0.00 0.00 0.00 0.00 51.96 52.93 1afq s ALA 112 Cb -0.39 -3.28 0.02 0.00 0.00 0.00 0.00 23.12 19.47 1afq s ALA 112 CO 0.50 -0.88 0.22 -1.12 0.00 0.00 0.00 175.76 174.48 1afq s SER 113 N -2.43 5.79 0.40 0.00 0.01 -1.26 -4.82 113.70 111.39 1afq s SER 113 Ca 0.67 -0.95 -0.26 0.00 1.31 0.00 0.00 55.95 56.72 1afq s SER 113 Cb -0.19 -2.05 -0.09 0.00 0.21 0.00 0.00 66.02 63.91 1afq s SER 113 CO 0.34 -0.39 1.25 -0.36 0.41 0.00 0.00 173.24 174.49 1afq s PHE 114 N 1.58 2.94 0.00 2.43 0.40 -1.26 -4.80 117.98 119.27 1afq s PHE 114 Ca 0.03 1.47 0.00 0.00 -0.60 0.00 0.00 56.93 57.83 1afq s PHE 114 Cb -0.19 -3.56 0.00 0.00 0.51 0.00 0.00 43.02 39.78 1afq s PHE 114 CO 0.07 -1.75 0.00 -1.13 0.70 0.00 0.00 175.22 173.11 1afq n SER 115 N 0.18 0.00 0.22 1.36 3.41 0.40 -4.95 113.62 114.24 1afq n SER 115 Ca 0.04 -0.39 0.05 0.00 -0.26 0.00 0.00 58.87 58.31 1afq n SER 115 Cb 0.45 0.00 0.49 0.00 -0.26 0.00 0.00 64.21 64.89 1afq n SER 115 CO 0.00 0.00 0.00 -0.61 -0.16 0.00 0.00 175.04 174.27 1afq h GLN 116 N 0.00 0.00 -0.06 4.33 4.15 -1.99 -3.08 115.11 118.46 1afq h GLN 116 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 1afq h GLN 116 Cb 0.00 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.69 1afq h GLN 116 CO 0.00 0.21 0.00 0.25 -1.93 0.00 0.00 178.83 177.36 1afq n THR 117 N -4.23 0.12 -3.71 2.39 -2.24 -1.26 -4.89 114.28 100.45 1afq n THR 117 Ca -0.02 -0.56 -0.24 0.00 -2.27 0.00 0.00 64.05 60.96 1afq n THR 117 Cb 0.28 1.19 -0.17 0.00 -2.10 0.00 0.00 70.33 69.53 1afq n THR 117 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1afq s VAL 118 N -1.12 0.25 0.38 2.28 1.01 -1.16 -4.37 120.40 117.68 1afq s VAL 118 Ca 0.17 -0.08 -0.15 0.00 0.00 0.00 0.00 61.98 61.93 1afq s VAL 118 Cb 0.12 -0.62 0.06 0.00 0.00 0.00 0.00 36.38 35.93 1afq s VAL 118 CO 0.17 0.01 0.77 -1.54 0.00 0.00 0.00 175.10 174.52 1afq n SER 119 N 5.17 -2.24 -4.92 3.32 3.41 -0.98 -0.46 113.62 116.92 1afq n SER 119 Ca -0.07 -2.55 -0.31 0.00 -0.26 0.00 0.00 58.87 55.68 1afq n SER 119 Cb 0.49 3.73 -0.04 0.00 -0.26 0.00 0.00 64.21 68.13 1afq n SER 119 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1afq s ALA 120 N -2.05 4.00 0.26 7.33 0.00 -1.26 -2.83 121.76 127.20 1afq s ALA 120 Ca 0.15 -0.83 -0.07 0.00 0.00 0.00 0.00 51.96 51.22 1afq s ALA 120 Cb -0.05 -1.84 -0.06 0.00 0.00 0.00 0.00 23.12 21.17 1afq s ALA 120 CO 0.12 0.82 0.54 0.54 0.00 0.00 0.00 175.76 177.78 1afq s VAL 121 N -1.49 5.00 0.41 0.00 0.11 -0.83 -4.91 120.40 118.69 1afq s VAL 121 Ca 0.34 0.22 -0.18 0.00 -2.93 0.00 0.00 61.98 59.43 1afq s VAL 121 Cb -0.13 -3.68 -0.10 0.00 -1.53 0.00 0.00 36.38 30.94 1afq s VAL 121 CO 0.27 -0.21 0.89 0.00 -3.33 0.00 0.00 175.10 172.72 1afq s LEU 123 N -3.34 4.36 0.60 0.00 1.43 -1.26 -5.11 118.68 115.37 1afq s LEU 123 Ca 0.59 0.31 -0.05 0.00 -1.03 0.00 0.00 54.13 53.94 1afq s LEU 123 Cb -0.10 -2.77 0.02 0.00 0.03 0.00 0.00 46.19 43.37 1afq s LEU 123 CO 0.19 0.22 0.90 -2.16 0.23 0.00 0.00 176.35 175.72 1afq s PRO 124 N -2.20 2.79 0.43 1.29 0.04 -1.26 -5.07 135.00 131.02 1afq s PRO 124 Ca 0.31 -0.12 -0.16 0.00 0.04 0.00 0.00 61.00 61.07 1afq s PRO 124 Cb -0.13 -2.29 -0.08 0.00 0.04 0.00 0.00 34.50 32.04 1afq s PRO 124 CO 0.23 -0.76 0.88 -1.12 0.04 0.00 0.00 177.00 176.27 1afq s SER 125 N -4.34 6.69 0.54 6.66 0.01 -1.26 -4.95 113.70 117.05 1afq s SER 125 Ca 0.55 1.43 0.22 0.00 1.31 0.00 0.00 55.95 59.46 1afq s SER 125 Cb -0.11 -2.44 1.43 0.00 0.21 0.00 0.00 66.02 65.12 1afq s SER 125 CO 0.44 -0.42 2.11 0.00 0.41 0.00 0.00 173.24 175.78 1afq h ALA 126 N 1.45 2.04 -0.03 1.44 0.00 -2.07 -1.33 119.26 120.76 1afq h ALA 126 Ca -0.48 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1afq h ALA 126 Cb 1.18 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.99 1afq h ALA 126 CO 0.63 -0.23 0.00 -1.13 0.00 0.00 0.00 179.25 178.52 1afq n SER 127 N -4.29 1.44 -4.76 0.00 3.41 -1.26 -4.93 113.62 103.23 1afq n SER 127 Ca 0.01 -1.50 -0.41 0.00 -0.26 0.00 0.00 58.87 56.71 1afq n SER 127 Cb 0.27 -0.01 -0.02 0.00 -0.26 0.00 0.00 64.21 64.19 1afq n SER 127 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 1afq s ASP 128 N -1.94 6.61 -0.15 4.04 1.01 -0.50 -5.00 116.67 120.73 1afq s ASP 128 Ca 0.38 2.76 -0.04 0.00 0.71 0.00 0.00 52.55 56.36 1afq s ASP 128 Cb 0.21 -2.64 -0.03 0.00 1.01 0.00 0.00 42.92 41.47 1afq s ASP 128 CO 0.33 -0.70 -0.02 -0.62 0.21 0.00 0.00 175.17 174.36 1afq s ASP 129 N 0.06 4.94 -0.36 0.27 2.15 -1.26 -4.98 116.67 117.49 1afq s ASP 129 Ca 0.56 -0.08 0.02 0.00 0.43 0.00 0.00 52.55 53.48 1afq s ASP 129 Cb -0.43 -1.79 0.11 0.00 -0.30 0.00 0.00 42.92 40.51 1afq s ASP 129 CO 0.49 0.18 0.10 -0.36 -0.17 0.00 0.00 175.17 175.42 1afq s PHE 130 N 0.29 2.93 0.43 -5.34 0.08 -1.26 -5.11 117.98 109.99 1afq s PHE 130 Ca -0.02 -2.59 -0.25 0.00 0.12 0.00 0.00 56.93 54.19 1afq s PHE 130 Cb -0.14 -2.46 -0.08 0.00 -0.57 0.00 0.00 43.02 39.77 1afq s PHE 130 CO 0.02 -0.89 1.31 0.00 -0.10 0.00 0.00 175.22 175.56 1afq s ALA 131 N 0.95 3.20 0.41 5.36 0.00 -1.26 -4.98 121.76 125.44 1afq s ALA 131 Ca 0.12 1.25 -0.26 0.00 0.00 0.00 0.00 51.96 53.06 1afq s ALA 131 Cb -0.20 -3.50 -0.10 0.00 0.00 0.00 0.00 23.12 19.33 1afq s ALA 131 CO -0.12 -0.90 1.38 0.00 0.00 0.00 0.00 175.76 176.13 1afq n ALA 132 N -0.05 1.82 0.00 0.00 0.00 -1.26 -1.78 120.51 119.24 1afq n ALA 132 Ca 0.05 0.29 0.00 0.00 0.00 0.00 0.00 53.44 53.78 1afq n ALA 132 Cb 0.44 -2.35 0.00 0.00 0.00 0.00 0.00 19.45 17.54 1afq n ALA 132 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1afq n GLY 133 N 0.64 3.26 3.75 0.00 0.00 -1.26 -5.04 105.19 106.53 1afq n GLY 133 Ca 0.04 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.65 1afq n GLY 133 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1afq s THR 134 N -2.97 2.44 -0.25 2.61 2.01 -0.73 -4.97 115.64 113.78 1afq s THR 134 Ca 0.00 0.38 -0.17 0.00 0.31 0.00 0.00 61.69 62.21 1afq s THR 134 Cb 0.00 -3.24 -0.03 0.00 0.01 0.00 0.00 72.50 69.23 1afq s THR 134 CO 0.00 0.07 0.46 -0.89 -0.69 0.00 0.00 174.62 173.56 1afq s THR 135 N -0.20 5.12 0.21 -0.82 2.01 -1.26 -5.05 115.64 115.65 1afq s THR 135 Ca 0.59 0.77 0.00 0.00 0.31 0.00 0.00 61.69 63.37 1afq s THR 135 Cb -0.44 -3.78 -0.00 0.00 0.01 0.00 0.00 72.50 68.29 1afq s THR 135 CO 0.47 0.14 0.01 0.00 -0.69 0.00 0.00 174.62 174.55 1afq s VAL 137 N -1.84 0.81 0.05 0.00 1.01 -1.26 -5.14 120.40 114.03 1afq s VAL 137 Ca 0.01 -0.55 0.07 0.00 0.00 0.00 0.00 61.98 61.51 1afq s VAL 137 Cb 0.00 -0.70 -0.03 0.00 0.00 0.00 0.00 36.38 35.66 1afq s VAL 137 CO 0.01 0.15 -0.18 0.28 0.00 0.00 0.00 175.10 175.35 1afq s THR 138 N -0.40 1.48 0.18 3.92 -1.32 -1.26 -5.16 115.64 113.09 1afq s THR 138 Ca 0.03 -1.20 0.03 0.00 -1.21 0.00 0.00 61.69 59.33 1afq s THR 138 Cb -0.05 -1.32 -0.05 0.00 -1.51 0.00 0.00 72.50 69.58 1afq s THR 138 CO -0.00 0.08 -0.01 0.42 -2.21 0.00 0.00 174.62 172.90 1afq s THR 139 N -0.90 0.82 0.00 5.08 -4.23 -1.26 -5.10 115.64 110.05 1afq s THR 139 Ca 0.05 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.56 1afq s THR 139 Cb -0.09 -2.12 0.00 0.00 1.34 0.00 0.00 72.50 71.63 1afq s THR 139 CO 0.02 -0.49 0.00 0.61 -0.54 0.00 0.00 174.62 174.22 1afq n GLY 140 N -0.27 0.64 1.34 3.99 0.00 -1.26 -4.96 105.19 104.67 1afq n GLY 140 Ca -0.07 -1.31 -0.06 0.00 0.00 0.00 0.00 46.02 44.58 1afq n GLY 140 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1afq n TRP 141 N -1.14 1.46 -1.51 1.61 8.01 -1.26 -4.67 117.44 119.93 1afq n TRP 141 Ca 0.00 -1.51 -0.29 0.00 -1.31 0.00 0.00 57.50 54.39 1afq n TRP 141 Cb 0.00 -0.55 0.17 0.00 -2.01 0.00 0.00 31.31 28.92 1afq n TRP 141 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.69 176.88 1afq s GLY 142 N -2.17 1.61 0.28 6.99 0.00 -1.26 -4.87 107.32 107.90 1afq s GLY 142 Ca 0.47 -0.73 -0.29 0.00 0.00 0.00 0.00 44.72 44.17 1afq s GLY 142 CO 0.04 -0.07 1.11 1.04 0.00 0.00 0.00 173.10 175.22 1afq n LEU 143 N -3.97 2.20 0.02 0.66 4.77 -1.26 -1.99 117.00 117.43 1afq n LEU 143 Ca 0.09 1.18 0.11 0.00 -0.03 0.00 0.00 56.01 57.36 1afq n LEU 143 Cb 0.59 -1.33 -0.10 0.00 -2.33 0.00 0.00 43.42 40.25 1afq n LEU 143 CO 0.53 -1.14 -0.42 0.35 -1.33 0.00 0.00 177.39 175.38 1afq n THR 144 N 0.54 0.14 -3.80 -5.08 -2.24 -1.26 0.37 114.28 102.95 1afq n THR 144 Ca 0.09 -0.41 -0.12 0.00 -2.27 0.00 0.00 64.05 61.34 1afq n THR 144 Cb 0.32 0.09 -0.11 0.00 -2.10 0.00 0.00 70.33 68.52 1afq n THR 144 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1afq s ARG 145 N -3.38 0.30 0.00 -0.78 0.52 -1.26 -4.07 118.95 110.28 1afq s ARG 145 Ca -0.03 0.21 0.11 0.00 -0.52 0.00 0.00 55.73 55.50 1afq s ARG 145 Cb 0.14 0.14 0.09 0.00 0.52 0.00 0.00 34.95 35.84 1afq s ARG 145 CO 0.87 -0.05 0.86 0.98 0.02 0.00 0.00 175.30 177.98