#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2f3g s ILE 20 N 0.00 4.51 -0.22 1.09 1.09 0.15 -4.91 121.20 122.90 2f3g s ILE 20 Ca 0.00 -0.15 -0.08 0.00 -1.10 0.00 0.00 60.65 59.32 2f3g s ILE 20 Cb 0.00 -2.98 -0.04 0.00 -1.06 0.00 0.00 42.46 38.38 2f3g s ILE 20 CO 0.00 0.52 0.09 -1.61 -0.10 0.00 0.00 174.94 173.84 2f3g s GLU 21 N -0.06 3.91 -0.24 2.79 2.02 -1.26 0.77 118.70 126.63 2f3g s GLU 21 Ca 0.05 -0.36 -0.14 0.00 0.02 0.00 0.00 54.97 54.53 2f3g s GLU 21 Cb -0.12 -3.34 -0.04 0.00 0.10 0.00 0.00 34.13 30.73 2f3g s GLU 21 CO 0.02 0.08 0.34 0.42 0.02 0.00 0.00 175.26 176.14 2f3g s ILE 22 N 0.92 5.22 0.17 -1.63 -1.09 -0.24 -4.93 121.20 119.62 2f3g s ILE 22 Ca 0.05 0.55 -0.12 0.00 -2.23 0.00 0.00 60.65 58.90 2f3g s ILE 22 Cb -0.14 -3.67 -0.07 0.00 -1.58 0.00 0.00 42.46 37.00 2f3g s ILE 22 CO 0.03 0.23 0.53 -0.63 -1.23 0.00 0.00 174.94 173.87 2f3g s ILE 23 N 1.57 4.93 0.16 2.92 -1.09 -0.71 0.69 121.20 129.66 2f3g s ILE 23 Ca 0.15 0.62 -0.34 0.00 -2.23 0.00 0.00 60.65 58.85 2f3g s ILE 23 Cb -0.15 -3.67 -0.13 0.00 -1.58 0.00 0.00 42.46 36.92 2f3g s ILE 23 CO 0.08 0.12 1.61 0.00 -1.23 0.00 0.00 174.94 175.52 2f3g n ALA 24 N 0.43 1.56 0.44 9.38 0.00 0.58 -4.45 120.51 128.44 2f3g n ALA 24 Ca -0.03 0.43 0.12 0.00 0.00 0.00 0.00 53.44 53.96 2f3g n ALA 24 Cb 0.52 -2.38 0.20 0.00 0.00 0.00 0.00 19.45 17.79 2f3g n ALA 24 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 2f3g h PRO 25 N 6.19 0.00 -3.87 0.00 0.13 -1.89 0.78 132.00 133.34 2f3g h PRO 25 Ca -0.45 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.58 2f3g h PRO 25 Cb 1.25 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 32.25 2f3g h PRO 25 CO 0.90 0.00 -0.33 -0.48 -0.23 0.00 0.00 178.00 177.86 2f3g s LEU 26 N -4.88 1.05 0.31 1.56 0.05 -1.26 -0.48 118.68 115.03 2f3g s LEU 26 Ca 0.06 -0.83 -0.16 0.00 0.05 0.00 0.00 54.13 53.25 2f3g s LEU 26 Cb 0.11 1.16 -0.09 0.00 -2.05 0.00 0.00 46.19 45.32 2f3g s LEU 26 CO 0.69 -0.86 0.74 -0.44 -0.55 0.00 0.00 176.35 175.93 2f3g s SER 27 N -2.95 6.84 0.00 1.48 0.01 -1.26 -3.97 113.70 113.85 2f3g s SER 27 Ca 0.15 1.32 0.00 0.00 1.31 0.00 0.00 55.95 58.73 2f3g s SER 27 Cb 0.04 -2.39 0.00 0.00 0.21 0.00 0.00 66.02 63.88 2f3g s SER 27 CO -0.02 -0.16 0.00 0.61 0.41 0.00 0.00 173.24 174.08 2f3g n GLY 28 N -0.15 -0.19 3.35 3.44 0.00 -0.83 -1.27 105.19 109.53 2f3g n GLY 28 Ca 0.02 -1.18 -0.32 0.00 0.00 0.00 0.00 46.02 44.55 2f3g n GLY 28 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2f3g s GLU 29 N -2.00 2.90 0.32 1.61 0.41 -0.76 0.03 118.70 121.21 2f3g s GLU 29 Ca 0.00 -0.77 -0.28 0.00 -0.41 0.00 0.00 54.97 53.51 2f3g s GLU 29 Cb 0.00 -2.40 -0.09 0.00 -1.78 0.00 0.00 34.13 29.85 2f3g s GLU 29 CO 0.00 0.36 1.12 0.42 -0.49 0.00 0.00 175.26 176.67 2f3g s ILE 30 N -0.07 3.41 0.12 -1.63 1.01 0.20 -1.39 121.20 122.86 2f3g s ILE 30 Ca -0.04 1.34 0.04 0.00 0.00 0.00 0.00 60.65 61.99 2f3g s ILE 30 Cb -0.14 -3.82 -0.04 0.00 0.01 0.00 0.00 42.46 38.47 2f3g s ILE 30 CO 0.04 0.26 -0.11 -0.69 0.00 0.00 0.00 174.94 174.44 2f3g s VAL 31 N -1.27 1.10 0.23 2.92 1.01 0.01 -4.67 120.40 119.73 2f3g s VAL 31 Ca 0.48 -1.85 -0.30 0.00 0.00 0.00 0.00 61.98 60.32 2f3g s VAL 31 Cb -0.31 -1.61 -0.09 0.00 0.00 0.00 0.00 36.38 34.37 2f3g s VAL 31 CO 0.40 -0.63 1.14 0.20 0.00 0.00 0.00 175.10 176.21 2f3g s ASN 32 N -2.78 7.19 0.49 3.32 0.02 -1.26 -2.10 114.94 119.82 2f3g s ASN 32 Ca 0.11 2.23 0.24 0.00 -1.02 0.00 0.00 52.86 54.42 2f3g s ASN 32 Cb -0.01 -2.62 1.27 0.00 0.02 0.00 0.00 41.25 39.92 2f3g s ASN 32 CO 0.01 -0.25 2.02 -0.29 0.02 0.00 0.00 177.10 178.61 2f3g h ILE 33 N 3.45 0.73 0.00 0.60 2.10 -1.88 0.20 117.51 122.71 2f3g h ILE 33 Ca -0.46 -0.66 0.00 0.00 1.08 0.00 0.00 64.86 64.83 2f3g h ILE 33 Cb 1.21 1.40 0.00 0.00 -1.09 0.00 0.00 36.82 38.34 2f3g h ILE 33 CO 0.71 0.16 0.00 1.05 -1.08 0.00 0.00 178.15 178.98 2f3g h GLU 34 N 0.00 0.00 -0.48 2.19 9.09 -1.90 -2.50 114.58 120.98 2f3g h GLU 34 Ca -0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 2f3g h GLU 34 Cb 0.39 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.49 2f3g h GLU 34 CO 0.02 0.00 0.00 -0.25 0.05 0.00 0.00 179.01 178.83 2f3g n ASP 35 N -2.62 2.57 -4.75 3.06 8.00 0.71 -4.85 116.55 118.67 2f3g n ASP 35 Ca 0.02 -2.02 -0.40 0.00 0.71 0.00 0.00 54.79 53.09 2f3g n ASP 35 Cb 0.28 -0.33 -0.05 0.00 -0.02 0.00 0.00 41.12 41.00 2f3g n ASP 35 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2f3g s VAL 36 N -1.40 4.44 0.00 2.53 1.01 -0.94 -4.93 120.40 121.11 2f3g s VAL 36 Ca 0.32 1.84 -0.04 0.00 0.00 0.00 0.00 61.98 64.10 2f3g s VAL 36 Cb 0.17 -4.21 -0.18 0.00 0.00 0.00 0.00 36.38 32.16 2f3g s VAL 36 CO 0.21 0.43 2.82 -2.65 0.00 0.00 0.00 175.10 175.91 2f3g n PRO 37 N 2.19 1.50 -3.49 2.72 -0.01 -1.26 -4.60 135.00 132.05 2f3g n PRO 37 Ca -0.02 -0.67 -0.08 0.00 -0.01 0.00 0.00 63.50 62.72 2f3g n PRO 37 Cb 0.49 -1.75 -0.09 0.00 -0.01 0.00 0.00 33.50 32.14 2f3g n PRO 37 CO 0.00 0.00 0.00 0.34 -0.01 0.00 0.00 175.50 175.83 2f3g s ASP 38 N 2.13 -0.04 0.26 2.55 -1.08 -1.26 -5.03 116.67 114.20 2f3g s ASP 38 Ca 0.45 0.61 -0.03 0.00 -0.52 0.00 0.00 52.55 53.06 2f3g s ASP 38 Cb 0.21 1.25 0.40 0.00 -1.46 0.00 0.00 42.92 43.32 2f3g s ASP 38 CO 0.00 -0.27 1.87 -0.37 0.52 0.00 0.00 175.17 176.93 2f3g h VAL 39 N 6.17 1.07 -0.99 1.11 -1.51 -1.97 0.29 116.25 120.43 2f3g h VAL 39 Ca -0.18 -0.39 0.06 0.00 -1.23 0.00 0.00 66.70 64.96 2f3g h VAL 39 Cb 1.13 -0.16 -0.06 0.00 -2.13 0.00 0.00 31.29 30.07 2f3g h VAL 39 CO 0.20 0.21 0.64 -0.37 -1.23 0.00 0.00 177.57 177.02 2f3g h VAL 40 N 1.13 1.11 0.06 7.19 -1.51 -1.96 0.55 116.25 122.83 2f3g h VAL 40 Ca 0.42 -0.41 -0.09 0.00 -1.23 0.00 0.00 66.70 65.40 2f3g h VAL 40 Cb 0.18 -0.18 0.01 0.00 -2.13 0.00 0.00 31.29 29.17 2f3g h VAL 40 CO -0.18 0.22 -0.37 -0.26 -1.23 0.00 0.00 177.57 175.75 2f3g h PHE 41 N 1.19 0.27 -0.74 5.19 0.04 -1.77 -1.00 116.94 120.11 2f3g h PHE 41 Ca 0.42 -0.19 0.05 0.00 2.80 0.00 0.00 57.97 61.05 2f3g h PHE 41 Cb 0.12 -0.01 -0.04 0.00 2.20 0.00 0.00 35.95 38.21 2f3g h PHE 41 CO -0.00 1.12 0.49 0.00 -0.60 0.00 0.00 178.31 179.31 2f3g h ALA 42 N 0.08 1.62 -0.33 2.45 0.00 -0.19 0.34 119.26 123.22 2f3g h ALA 42 Ca -0.06 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.82 2f3g h ALA 42 Cb 1.26 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.82 2f3g h ALA 42 CO 0.07 0.28 0.00 0.39 0.00 0.00 0.00 179.25 179.99 2f3g n GLU 43 N -4.47 1.91 -3.84 0.00 -0.58 0.19 -4.54 120.64 109.31 2f3g n GLU 43 Ca 0.10 -1.40 -0.30 0.00 -0.42 0.00 0.00 57.16 55.15 2f3g n GLU 43 Cb 0.17 -1.35 0.01 0.00 -0.57 0.00 0.00 31.44 29.70 2f3g n GLU 43 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 2f3g n LYS 44 N 0.62 -4.85 -0.07 3.49 5.02 0.12 -4.85 118.16 117.66 2f3g n LYS 44 Ca 0.15 0.56 -0.01 0.00 -2.02 0.00 0.00 58.31 56.98 2f3g n LYS 44 Cb 0.35 -5.41 0.24 0.00 -0.02 0.00 0.00 35.03 30.20 2f3g n LYS 44 CO 0.00 0.00 0.00 0.82 -0.52 0.00 0.00 177.40 177.70 2f3g h ILE 45 N -1.80 1.21 -0.00 -0.18 1.08 -1.39 -2.51 117.51 113.91 2f3g h ILE 45 Ca -0.56 -0.79 0.00 0.00 -0.39 0.00 0.00 64.86 63.12 2f3g h ILE 45 Cb 1.36 0.80 0.00 0.00 -3.07 0.00 0.00 36.82 35.91 2f3g h ILE 45 CO 0.66 0.28 -0.22 0.55 -0.69 0.00 0.00 178.15 178.74 2f3g n VAL 46 N -4.28 0.00 0.00 1.67 3.14 -1.25 -5.02 118.33 112.59 2f3g n VAL 46 Ca 0.03 -0.02 0.00 0.00 -2.96 0.00 0.00 64.34 61.39 2f3g n VAL 46 Cb 0.23 -0.09 0.00 0.00 -1.06 0.00 0.00 33.84 32.92 2f3g n VAL 46 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 2f3g n GLY 47 N 1.43 0.87 3.46 7.55 0.00 -0.95 -4.46 105.19 113.09 2f3g n GLY 47 Ca 0.09 -2.02 -0.25 0.00 0.00 0.00 0.00 46.02 43.83 2f3g n GLY 47 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2f3g s ASP 48 N -2.50 3.56 0.00 1.61 2.15 -0.74 -4.46 116.67 116.29 2f3g s ASP 48 Ca 0.00 -0.95 0.00 0.00 0.43 0.00 0.00 52.55 52.03 2f3g s ASP 48 Cb 0.00 -0.30 0.00 0.00 -0.30 0.00 0.00 42.92 42.32 2f3g s ASP 48 CO 0.00 0.07 0.00 0.61 -0.17 0.00 0.00 175.17 175.68 2f3g n GLY 49 N -0.24 -0.71 3.38 2.66 0.00 -1.26 0.48 105.19 109.50 2f3g n GLY 49 Ca -0.08 -0.04 -0.21 0.00 0.00 0.00 0.00 46.02 45.68 2f3g n GLY 49 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2f3g s ILE 50 N -2.47 0.32 0.24 -0.61 -5.25 -0.43 -4.48 121.20 108.53 2f3g s ILE 50 Ca 0.00 -2.00 0.10 0.00 -0.99 0.00 0.00 60.65 57.76 2f3g s ILE 50 Cb 0.00 -2.45 -0.05 0.00 2.95 0.00 0.00 42.46 42.91 2f3g s ILE 50 CO 0.00 0.00 -0.18 0.00 -1.79 0.00 0.00 174.94 172.97 2f3g s ALA 51 N -3.43 2.42 -0.04 2.27 0.00 -0.89 0.91 121.76 122.99 2f3g s ALA 51 Ca 0.33 -1.77 0.01 0.00 0.00 0.00 0.00 51.96 50.53 2f3g s ALA 51 Cb 0.03 -0.19 0.02 0.00 0.00 0.00 0.00 23.12 22.98 2f3g s ALA 51 CO 0.19 0.20 -0.06 0.42 0.00 0.00 0.00 175.76 176.51 2f3g s ILE 52 N -2.65 0.59 -0.51 0.00 1.01 -0.83 -0.81 121.20 118.00 2f3g s ILE 52 Ca 0.26 -0.18 -0.22 0.00 0.00 0.00 0.00 60.65 60.51 2f3g s ILE 52 Cb -0.03 -0.59 0.04 0.00 0.01 0.00 0.00 42.46 41.89 2f3g s ILE 52 CO 0.11 0.23 0.80 -0.75 0.00 0.00 0.00 174.94 175.33 2f3g s LYS 53 N 0.76 3.28 0.59 2.79 2.36 -0.49 -1.61 119.74 127.41 2f3g s LYS 53 Ca -0.11 -0.42 -0.18 0.00 -2.55 0.00 0.00 55.97 52.71 2f3g s LYS 53 Cb -0.13 -4.04 -0.04 0.00 -1.05 0.00 0.00 37.83 32.57 2f3g s LYS 53 CO 0.01 -1.31 1.14 -1.25 1.55 0.00 0.00 175.35 175.49 2f3g s PRO 54 N 3.38 3.10 0.00 4.03 0.05 -1.26 -1.83 135.00 142.48 2f3g s PRO 54 Ca 0.25 1.61 0.00 0.00 0.05 0.00 0.00 61.00 62.92 2f3g s PRO 54 Cb -0.14 -1.97 0.00 0.00 0.05 0.00 0.00 34.50 32.44 2f3g s PRO 54 CO 0.18 -1.05 0.11 0.25 0.05 0.00 0.00 177.00 176.53 2f3g n THR 55 N -1.67 0.00 -0.56 1.26 -2.24 -0.40 -4.89 114.28 105.78 2f3g n THR 55 Ca 0.12 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.90 2f3g n THR 55 Cb 0.51 1.78 0.00 0.00 -2.10 0.00 0.00 70.33 70.52 2f3g n THR 55 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2f3g n GLY 56 N 0.00 3.32 0.26 3.38 0.00 -1.26 -4.98 105.19 105.91 2f3g n GLY 56 Ca 0.00 -1.75 0.00 0.00 0.00 0.00 0.00 46.02 44.27 2f3g n GLY 56 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2f3g n ASN 57 N 0.00 0.00 -3.57 1.61 0.23 -1.26 -4.57 115.26 107.70 2f3g n ASN 57 Ca 0.00 -1.42 -0.12 0.00 -0.53 0.00 0.00 54.58 52.51 2f3g n ASN 57 Cb 0.00 -0.08 -0.04 0.00 -2.08 0.00 0.00 39.78 37.57 2f3g n ASN 57 CO 0.00 0.00 0.00 -1.59 -0.93 0.00 0.00 177.26 174.74 2f3g s LYS 58 N 0.00 1.09 -0.19 -3.83 -2.85 -1.26 -2.43 119.74 110.26 2f3g s LYS 58 Ca 0.00 -0.45 -0.00 0.00 -1.00 0.00 0.00 55.97 54.51 2f3g s LYS 58 Cb 0.00 0.49 0.01 0.00 -2.06 0.00 0.00 37.83 36.27 2f3g s LYS 58 CO 0.00 -0.42 -0.16 1.41 0.10 0.00 0.00 175.35 176.28 2f3g s MET 59 N -3.18 3.09 0.46 1.78 1.75 0.67 -4.50 119.30 119.36 2f3g s MET 59 Ca -0.01 -0.78 0.06 0.00 -1.25 0.00 0.00 55.69 53.71 2f3g s MET 59 Cb 0.00 -2.67 -0.03 0.00 2.84 0.00 0.00 34.83 34.97 2f3g s MET 59 CO -0.08 -0.20 0.20 0.14 -0.65 0.00 0.00 175.02 174.43 2f3g s VAL 60 N 1.32 1.97 0.06 10.11 -7.23 0.37 -0.43 120.40 126.58 2f3g s VAL 60 Ca 0.05 -1.71 -0.31 0.00 -1.81 0.00 0.00 61.98 58.21 2f3g s VAL 60 Cb -0.13 -2.67 -0.07 0.00 0.56 0.00 0.00 36.38 34.06 2f3g s VAL 60 CO -0.10 0.00 1.51 0.00 -0.31 0.00 0.00 175.10 176.19 2f3g s ALA 61 N -2.69 3.64 -2.06 1.32 0.00 0.57 -4.55 121.76 117.99 2f3g s ALA 61 Ca 0.34 1.09 0.29 0.00 0.00 0.00 0.00 51.96 53.68 2f3g s ALA 61 Cb 0.02 -3.62 1.34 0.00 0.00 0.00 0.00 23.12 20.86 2f3g s ALA 61 CO 0.19 -0.92 1.91 -0.35 0.00 0.00 0.00 175.76 176.59 2f3g n PRO 62 N 5.07 1.13 -3.84 0.00 -0.04 -1.26 -1.40 135.00 134.66 2f3g n PRO 62 Ca 0.14 -0.44 -0.09 0.00 -0.04 0.00 0.00 63.50 63.08 2f3g n PRO 62 Cb 0.42 -1.49 -0.03 0.00 -0.04 0.00 0.00 33.50 32.35 2f3g n PRO 62 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 2f3g s VAL 63 N -2.17 0.01 -0.15 0.52 -7.23 -1.26 -1.74 120.40 108.37 2f3g s VAL 63 Ca 0.37 -0.99 -0.24 0.00 -1.81 0.00 0.00 61.98 59.31 2f3g s VAL 63 Cb 0.21 -1.87 -0.02 0.00 0.56 0.00 0.00 36.38 35.26 2f3g s VAL 63 CO 0.40 -0.04 0.78 -1.81 -0.31 0.00 0.00 175.10 174.12 2f3g s ASP 64 N -2.92 6.93 0.00 4.85 1.01 -1.26 -3.57 116.67 121.71 2f3g s ASP 64 Ca 0.13 1.13 0.00 0.00 0.71 0.00 0.00 52.55 54.52 2f3g s ASP 64 Cb -0.03 -2.43 0.00 0.00 1.01 0.00 0.00 42.92 41.47 2f3g s ASP 64 CO 0.03 -0.33 0.00 0.61 0.21 0.00 0.00 175.17 175.70 2f3g n GLY 65 N 3.44 -0.55 3.21 0.21 0.00 -0.44 -0.51 105.19 110.54 2f3g n GLY 65 Ca 0.03 -0.70 -0.29 0.00 0.00 0.00 0.00 46.02 45.05 2f3g n GLY 65 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2f3g s THR 66 N -3.06 1.81 0.32 2.61 2.01 0.13 -0.28 115.64 119.18 2f3g s THR 66 Ca 0.00 -0.93 -0.29 0.00 0.31 0.00 0.00 61.69 60.79 2f3g s THR 66 Cb 0.00 -1.54 -0.10 0.00 0.01 0.00 0.00 72.50 70.87 2f3g s THR 66 CO 0.00 0.51 1.23 -0.63 -0.69 0.00 0.00 174.62 175.04 2f3g s ILE 67 N -0.07 3.00 -0.08 1.82 -1.09 0.20 -2.01 121.20 122.97 2f3g s ILE 67 Ca -0.04 0.99 -0.09 0.00 -2.23 0.00 0.00 60.65 59.29 2f3g s ILE 67 Cb -0.13 -3.63 -0.03 0.00 -1.58 0.00 0.00 42.46 37.10 2f3g s ILE 67 CO 0.03 0.23 -0.17 0.61 -1.23 0.00 0.00 174.94 174.41 2f3g n GLY 68 N 0.91 -0.48 2.89 6.18 0.00 0.20 -0.69 105.19 114.20 2f3g n GLY 68 Ca 0.00 -0.16 -0.13 0.00 0.00 0.00 0.00 46.02 45.73 2f3g n GLY 68 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2f3g s LYS 69 N -1.93 0.12 -0.14 1.61 2.47 -1.19 -4.38 119.74 116.30 2f3g s LYS 69 Ca -0.14 -0.04 0.03 0.00 -1.56 0.00 0.00 55.97 54.25 2f3g s LYS 69 Cb 0.02 -0.12 0.01 0.00 -1.46 0.00 0.00 37.83 36.28 2f3g s LYS 69 CO 0.20 0.02 -0.22 0.42 0.16 0.00 0.00 175.35 175.94 2f3g s ILE 70 N 0.00 2.03 0.47 5.43 1.01 -1.26 -0.38 121.20 128.51 2f3g s ILE 70 Ca 0.00 -0.96 -0.24 0.00 0.00 0.00 0.00 60.65 59.45 2f3g s ILE 70 Cb -0.01 -1.79 -0.07 0.00 0.01 0.00 0.00 42.46 40.60 2f3g s ILE 70 CO -0.00 0.54 1.33 -0.36 0.00 0.00 0.00 174.94 176.46 2f3g s PHE 71 N 0.81 2.55 -0.29 3.97 0.40 -0.65 -4.87 117.98 119.90 2f3g s PHE 71 Ca -0.07 1.38 0.20 0.00 -0.60 0.00 0.00 56.93 57.84 2f3g s PHE 71 Cb -0.16 -3.73 1.06 0.00 0.51 0.00 0.00 43.02 40.70 2f3g s PHE 71 CO -0.02 -2.50 1.61 -0.85 0.70 0.00 0.00 175.22 174.17 2f3g n GLU 72 N -0.46 0.13 -0.34 0.44 0.00 -1.26 0.33 120.64 119.48 2f3g n GLU 72 Ca 0.07 0.61 0.12 0.00 0.00 0.00 0.00 57.16 57.95 2f3g n GLU 72 Cb 0.44 -1.91 0.30 0.00 0.00 0.00 0.00 31.44 30.27 2f3g n GLU 72 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.13 177.38 2f3g n THR 73 N -2.19 0.92 -4.14 3.84 -2.24 -1.26 -4.89 114.28 104.31 2f3g n THR 73 Ca -0.01 -0.96 -0.34 0.00 -2.27 0.00 0.00 64.05 60.47 2f3g n THR 73 Cb 0.05 0.58 -0.01 0.00 -2.10 0.00 0.00 70.33 68.85 2f3g n THR 73 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 2f3g n ASN 74 N 1.61 -3.50 0.00 3.42 5.03 0.15 -3.66 115.26 118.31 2f3g n ASN 74 Ca 0.24 -0.96 0.00 0.00 0.87 0.00 0.00 54.58 54.73 2f3g n ASN 74 Cb 0.62 -3.04 0.00 0.00 -1.02 0.00 0.00 39.78 36.34 2f3g n ASN 74 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2f3g n HIS 75 N -4.46 0.00 -3.71 3.10 1.44 -1.26 -4.52 115.22 105.81 2f3g n HIS 75 Ca 0.05 0.00 -0.13 0.00 -2.01 0.00 0.00 57.72 55.63 2f3g n HIS 75 Cb 0.51 0.00 -0.07 0.00 0.12 0.00 0.00 29.99 30.55 2f3g n HIS 75 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 2f3g s ALA 76 N -0.36 -0.88 0.21 1.59 0.00 -1.26 -1.77 121.76 119.29 2f3g s ALA 76 Ca 0.00 0.27 -0.14 0.00 0.00 0.00 0.00 51.96 52.09 2f3g s ALA 76 Cb 0.00 0.25 0.01 0.00 0.00 0.00 0.00 23.12 23.38 2f3g s ALA 76 CO 0.00 -0.38 0.46 -0.59 0.00 0.00 0.00 175.76 175.24 2f3g s PHE 77 N -2.13 0.16 0.00 0.00 -0.12 -0.15 -1.63 117.98 114.12 2f3g s PHE 77 Ca -0.08 -0.52 0.07 0.00 -0.05 0.00 0.00 56.93 56.36 2f3g s PHE 77 Cb -0.02 0.23 -0.03 0.00 -0.63 0.00 0.00 43.02 42.58 2f3g s PHE 77 CO -0.00 -0.91 -0.23 -1.12 -0.05 0.00 0.00 175.22 172.91 2f3g s SER 78 N -2.95 3.37 0.01 1.98 0.01 0.49 -1.30 113.70 115.31 2f3g s SER 78 Ca 0.16 -0.45 -0.07 0.00 1.31 0.00 0.00 55.95 56.89 2f3g s SER 78 Cb -0.00 -0.45 -0.00 0.00 0.21 0.00 0.00 66.02 65.77 2f3g s SER 78 CO 0.02 0.30 0.13 -0.51 0.41 0.00 0.00 173.24 173.59 2f3g s ILE 79 N -0.74 0.09 -0.11 1.44 2.07 -1.02 0.60 121.20 123.53 2f3g s ILE 79 Ca 0.11 -0.77 0.04 0.00 -1.41 0.00 0.00 60.65 58.62 2f3g s ILE 79 Cb -0.10 -0.53 0.00 0.00 0.13 0.00 0.00 42.46 41.96 2f3g s ILE 79 CO 0.01 -0.42 -0.23 -0.70 -1.91 0.00 0.00 174.94 171.69 2f3g s GLU 80 N -1.65 3.01 0.76 3.50 2.12 -0.85 -1.33 118.70 124.26 2f3g s GLU 80 Ca -0.13 -0.86 -0.12 0.00 0.36 0.00 0.00 54.97 54.22 2f3g s GLU 80 Cb -0.06 -2.31 0.05 0.00 0.26 0.00 0.00 34.13 32.06 2f3g s GLU 80 CO 0.00 0.13 1.14 -1.54 -0.54 0.00 0.00 175.26 174.45 2f3g s SER 81 N 0.46 4.92 0.32 -1.70 1.04 0.70 -0.69 113.70 118.75 2f3g s SER 81 Ca -0.16 0.92 0.06 0.00 0.48 0.00 0.00 55.95 57.26 2f3g s SER 81 Cb -0.17 -1.55 0.55 0.00 0.10 0.00 0.00 66.02 64.95 2f3g s SER 81 CO 0.06 -1.65 1.78 0.44 0.98 0.00 0.00 173.24 174.85 2f3g h ASP 82 N -0.87 0.30 0.00 7.02 3.32 -1.13 -2.25 116.42 122.81 2f3g h ASP 82 Ca -0.46 -0.10 0.00 0.00 0.02 0.00 0.00 57.03 56.50 2f3g h ASP 82 Cb 1.30 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 40.76 2f3g h ASP 82 CO 0.65 0.58 0.00 -1.54 -1.72 0.00 0.00 179.24 177.20 2f3g n SER 83 N -4.14 0.00 -0.05 6.45 3.41 -1.26 -4.85 113.62 113.18 2f3g n SER 83 Ca -0.01 -0.55 -0.01 0.00 -0.26 0.00 0.00 58.87 58.04 2f3g n SER 83 Cb 0.39 0.00 -0.00 0.00 -0.26 0.00 0.00 64.21 64.33 2f3g n SER 83 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2f3g n GLY 84 N -0.13 0.47 3.77 5.00 0.00 -0.85 -5.06 105.19 108.40 2f3g n GLY 84 Ca 0.07 -0.60 -0.38 0.00 0.00 0.00 0.00 46.02 45.11 2f3g n GLY 84 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2f3g s VAL 85 N -2.00 5.08 -0.28 1.61 1.01 -1.26 -4.83 120.40 119.73 2f3g s VAL 85 Ca 0.00 0.93 -0.11 0.00 0.00 0.00 0.00 61.98 62.80 2f3g s VAL 85 Cb 0.00 -3.78 -0.05 0.00 0.00 0.00 0.00 36.38 32.55 2f3g s VAL 85 CO 0.00 0.44 0.20 -1.61 0.00 0.00 0.00 175.10 174.13 2f3g s GLU 86 N -0.19 3.92 0.25 2.72 2.02 -1.26 -0.22 118.70 125.94 2f3g s GLU 86 Ca 0.25 -0.34 0.10 0.00 0.02 0.00 0.00 54.97 55.01 2f3g s GLU 86 Cb -0.16 -3.67 -0.04 0.00 0.10 0.00 0.00 34.13 30.35 2f3g s GLU 86 CO 0.12 -0.20 -0.05 -0.51 0.02 0.00 0.00 175.26 174.64 2f3g s LEU 87 N 1.76 3.05 -0.15 1.80 2.01 -0.44 -0.76 118.68 125.95 2f3g s LEU 87 Ca 0.07 -0.70 -0.04 0.00 0.01 0.00 0.00 54.13 53.48 2f3g s LEU 87 Cb -0.16 -1.60 0.07 0.00 0.01 0.00 0.00 46.19 44.51 2f3g s LEU 87 CO 0.11 0.03 0.17 0.12 1.01 0.00 0.00 176.35 177.79 2f3g s PHE 88 N -2.24 -0.14 -0.34 0.29 5.36 -0.05 -2.44 117.98 118.42 2f3g s PHE 88 Ca 0.30 0.23 -0.11 0.00 -0.96 0.00 0.00 56.93 56.39 2f3g s PHE 88 Cb -0.07 -0.40 0.00 0.00 -0.34 0.00 0.00 43.02 42.21 2f3g s PHE 88 CO 0.18 -0.47 0.20 0.08 -1.46 0.00 0.00 175.22 173.76 2f3g s VAL 89 N 2.27 4.82 -0.29 3.12 1.01 -0.42 -1.84 120.40 129.08 2f3g s VAL 89 Ca 0.05 -0.51 0.03 0.00 0.00 0.00 0.00 61.98 61.55 2f3g s VAL 89 Cb -0.15 -3.55 0.07 0.00 0.00 0.00 0.00 36.38 32.76 2f3g s VAL 89 CO -0.09 -0.07 -0.05 -2.28 0.00 0.00 0.00 175.10 172.61 2f3g s HIS 90 N 1.63 3.33 0.09 5.22 2.46 -1.03 -0.98 115.29 126.02 2f3g s HIS 90 Ca 0.04 -2.50 -0.31 0.00 0.47 0.00 0.00 55.06 52.76 2f3g s HIS 90 Cb -0.18 -2.24 -0.09 0.00 -0.13 0.00 0.00 32.58 29.94 2f3g s HIS 90 CO 0.08 -0.90 1.71 0.12 -2.47 0.00 0.00 174.74 173.28 2f3g s PHE 91 N 1.07 2.36 0.10 3.88 2.19 -0.73 -3.31 117.98 123.54 2f3g s PHE 91 Ca -0.01 0.22 0.00 0.00 0.33 0.00 0.00 56.93 57.46 2f3g s PHE 91 Cb -0.20 -4.04 0.00 0.00 -1.31 0.00 0.00 43.02 37.48 2f3g s PHE 91 CO -0.07 -4.19 0.00 0.41 1.83 0.00 0.00 175.22 173.21 2f3g n GLY 92 N 4.06 -1.75 3.25 13.12 0.00 -0.90 -4.55 105.19 118.42 2f3g n GLY 92 Ca 0.16 -1.25 -0.32 0.00 0.00 0.00 0.00 46.02 44.61 2f3g n GLY 92 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2f3g s ILE 93 N -0.85 2.14 -1.80 -0.61 -1.09 0.06 -4.58 121.20 114.48 2f3g s ILE 93 Ca 0.00 -1.00 0.00 0.00 -2.23 0.00 0.00 60.65 57.42 2f3g s ILE 93 Cb 0.00 -1.81 0.00 0.00 -1.58 0.00 0.00 42.46 39.07 2f3g s ILE 93 CO 0.00 0.56 0.00 0.47 -1.23 0.00 0.00 174.94 174.74 2f3g n ASP 94 N 3.37 -4.86 0.32 3.58 8.00 -1.26 -4.05 116.55 121.66 2f3g n ASP 94 Ca -0.19 0.34 0.20 0.00 0.71 0.00 0.00 54.79 55.85 2f3g n ASP 94 Cb 0.53 -4.27 1.09 0.00 -0.02 0.00 0.00 41.12 38.44 2f3g n ASP 94 CO 0.00 0.00 0.00 0.71 -0.39 0.00 0.00 177.20 177.52 2f3g h THR 95 N 0.00 0.12 -0.36 -3.53 1.35 -1.81 -2.77 112.91 105.92 2f3g h THR 95 Ca -0.38 -0.10 0.08 0.00 -0.55 0.00 0.00 66.41 65.46 2f3g h THR 95 Cb 1.21 1.08 -0.02 0.00 -1.73 0.00 0.00 68.15 68.69 2f3g h THR 95 CO 0.53 0.01 0.25 -0.37 -0.25 0.00 0.00 175.52 175.69 2f3g h VAL 96 N 0.00 0.88 0.00 6.82 -1.51 -1.91 -0.84 116.25 119.68 2f3g h VAL 96 Ca -0.00 -0.04 0.00 0.00 -1.23 0.00 0.00 66.70 65.43 2f3g h VAL 96 Cb 0.08 0.75 0.00 0.00 -2.13 0.00 0.00 31.29 29.99 2f3g h VAL 96 CO 0.00 0.02 0.00 1.05 -1.23 0.00 0.00 177.57 177.41 2f3g h GLU 97 N 0.11 0.00 0.00 5.19 4.11 -1.88 -2.42 114.58 119.69 2f3g h GLU 97 Ca 0.17 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.60 2f3g h GLU 97 Cb 0.52 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.77 2f3g h GLU 97 CO -0.02 0.00 0.00 1.28 0.07 0.00 0.00 179.01 180.34 2f3g n LEU 98 N -2.91 0.00 -3.98 3.06 4.32 -0.32 -4.94 117.00 112.23 2f3g n LEU 98 Ca -0.03 0.21 -0.29 0.00 -0.02 0.00 0.00 56.01 55.89 2f3g n LEU 98 Cb 0.06 -0.21 -0.00 0.00 -1.62 0.00 0.00 43.42 41.65 2f3g n LEU 98 CO 0.18 -0.02 -0.08 0.29 -1.22 0.00 0.00 177.39 176.54 2f3g n LYS 99 N -1.21 -3.99 0.00 3.23 5.02 -0.91 -2.20 118.16 118.09 2f3g n LYS 99 Ca 0.15 0.47 0.00 0.00 -2.02 0.00 0.00 58.31 56.91 2f3g n LYS 99 Cb 0.19 -4.98 0.00 0.00 -0.02 0.00 0.00 35.03 30.22 2f3g n LYS 99 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2f3g n GLY 100 N -1.71 1.91 3.67 0.72 0.00 -1.24 -4.98 105.19 103.56 2f3g n GLY 100 Ca -0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.46 2f3g n GLY 100 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2f3g s GLU 101 N -0.57 4.16 0.00 1.61 2.12 -0.94 -2.38 118.70 122.70 2f3g s GLU 101 Ca 0.00 2.45 0.00 0.00 0.36 0.00 0.00 54.97 57.78 2f3g s GLU 101 Cb 0.00 -4.01 0.00 0.00 0.26 0.00 0.00 34.13 30.38 2f3g s GLU 101 CO 0.00 -0.89 0.00 0.41 -0.54 0.00 0.00 175.26 174.24 2f3g n GLY 102 N 4.33 0.42 3.53 -1.50 0.00 -1.26 -4.96 105.19 105.75 2f3g n GLY 102 Ca 0.18 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.93 2f3g n GLY 102 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2f3g s PHE 103 N -2.15 2.56 -0.15 1.61 0.08 -1.00 0.42 117.98 119.34 2f3g s PHE 103 Ca 0.00 -0.25 -0.04 0.00 0.12 0.00 0.00 56.93 56.76 2f3g s PHE 103 Cb 0.00 -1.27 0.07 0.00 -0.57 0.00 0.00 43.02 41.25 2f3g s PHE 103 CO 0.00 0.49 0.19 0.15 -0.10 0.00 0.00 175.22 175.95 2f3g s LYS 104 N -2.68 0.11 -0.01 0.44 3.01 0.37 -4.98 119.74 116.01 2f3g s LYS 104 Ca 0.23 0.34 -0.30 0.00 -1.01 0.00 0.00 55.97 55.23 2f3g s LYS 104 Cb -0.09 -0.86 -0.06 0.00 -1.01 0.00 0.00 37.83 35.80 2f3g s LYS 104 CO 0.13 -0.51 1.60 0.50 0.51 0.00 0.00 175.35 177.59 2f3g s ARG 105 N 2.30 4.21 -0.18 1.68 3.52 -1.26 -1.25 118.95 127.96 2f3g s ARG 105 Ca 0.04 2.18 0.06 0.00 -0.13 0.00 0.00 55.73 57.88 2f3g s ARG 105 Cb -0.14 -3.79 -0.15 0.00 -1.56 0.00 0.00 34.95 29.31 2f3g s ARG 105 CO -0.09 -0.76 -0.10 -0.89 -0.81 0.00 0.00 175.30 172.66 2f3g n ILE 106 N 5.09 1.10 -2.61 4.11 2.08 0.24 -4.95 119.36 124.42 2f3g n ILE 106 Ca 0.16 -0.51 -0.23 0.00 0.56 0.00 0.00 62.75 62.73 2f3g n ILE 106 Cb 0.42 -0.99 0.12 0.00 -0.75 0.00 0.00 39.64 38.44 2f3g n ILE 106 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 2f3g n ALA 107 N -2.90 0.20 -2.43 -1.39 0.00 -0.41 -4.98 120.51 108.60 2f3g n ALA 107 Ca -0.31 -1.95 -0.27 0.00 0.00 0.00 0.00 53.44 50.90 2f3g n ALA 107 Cb 0.91 0.32 -0.12 0.00 0.00 0.00 0.00 19.45 20.57 2f3g n ALA 107 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 2f3g s GLU 108 N -5.10 1.53 0.33 0.00 2.02 -1.26 -5.05 118.70 111.18 2f3g s GLU 108 Ca 0.66 -1.47 -0.29 0.00 0.02 0.00 0.00 54.97 53.89 2f3g s GLU 108 Cb -0.04 -1.88 -0.11 0.00 0.10 0.00 0.00 34.13 32.21 2f3g s GLU 108 CO 0.44 0.41 1.49 -1.21 0.02 0.00 0.00 175.26 176.41 2f3g s GLU 109 N -2.55 4.16 0.00 1.61 2.02 -1.26 -1.68 118.70 121.00 2f3g s GLU 109 Ca 0.20 2.50 0.00 0.00 0.02 0.00 0.00 54.97 57.69 2f3g s GLU 109 Cb -0.08 -3.01 0.00 0.00 0.10 0.00 0.00 34.13 31.13 2f3g s GLU 109 CO 0.09 -0.50 0.00 0.41 0.02 0.00 0.00 175.26 175.28 2f3g n GLY 110 N 1.17 1.28 3.77 -1.39 0.00 0.13 -5.00 105.19 105.15 2f3g n GLY 110 Ca 0.03 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.65 2f3g n GLY 110 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2f3g s GLN 111 N -0.44 4.15 -0.08 1.61 0.74 -0.68 -4.62 119.66 120.34 2f3g s GLN 111 Ca 0.00 2.33 -0.20 0.00 0.05 0.00 0.00 55.36 57.54 2f3g s GLN 111 Cb 0.00 -2.94 -0.04 0.00 1.10 0.00 0.00 33.01 31.13 2f3g s GLN 111 CO 0.00 -0.40 0.56 0.50 -0.55 0.00 0.00 175.29 175.39 2f3g s ARG 112 N -2.03 4.35 0.11 1.67 3.52 -1.26 0.63 118.95 125.94 2f3g s ARG 112 Ca 0.53 0.62 0.01 0.00 -0.13 0.00 0.00 55.73 56.75 2f3g s ARG 112 Cb -0.42 -3.42 -0.04 0.00 -1.56 0.00 0.00 34.95 29.52 2f3g s ARG 112 CO 0.55 0.18 -0.02 0.14 -0.81 0.00 0.00 175.30 175.35 2f3g s VAL 113 N 0.48 0.45 0.24 7.11 -7.23 0.62 -4.96 120.40 117.10 2f3g s VAL 113 Ca 0.30 -1.91 0.09 0.00 -1.81 0.00 0.00 61.98 58.65 2f3g s VAL 113 Cb -0.16 -1.81 -0.04 0.00 0.56 0.00 0.00 36.38 34.92 2f3g s VAL 113 CO 0.14 -0.73 0.00 -0.54 -0.31 0.00 0.00 175.10 173.66 2f3g s LYS 114 N -3.92 2.34 0.20 4.82 1.02 -1.26 -1.33 119.74 121.61 2f3g s LYS 114 Ca 0.16 -1.31 -0.31 0.00 0.02 0.00 0.00 55.97 54.53 2f3g s LYS 114 Cb 0.07 -2.23 -0.16 0.00 -0.52 0.00 0.00 37.83 34.99 2f3g s LYS 114 CO -0.03 0.39 0.98 0.28 -0.92 0.00 0.00 175.35 176.06 2f3g n VAL 115 N -0.68 1.38 0.00 3.17 0.31 -1.23 -1.46 118.33 119.82 2f3g n VAL 115 Ca -0.08 -0.35 0.00 0.00 -0.01 0.00 0.00 64.34 63.91 2f3g n VAL 115 Cb 0.58 -0.66 0.00 0.00 -0.91 0.00 0.00 33.84 32.84 2f3g n VAL 115 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2f3g n GLY 116 N 1.74 2.16 3.75 2.92 0.00 -0.49 -4.93 105.19 110.34 2f3g n GLY 116 Ca 0.14 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.75 2f3g n GLY 116 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2f3g s ASP 117 N -2.62 6.57 0.11 1.61 1.01 -0.53 -4.58 116.67 118.23 2f3g s ASP 117 Ca 0.00 2.77 -0.30 0.00 0.71 0.00 0.00 52.55 55.73 2f3g s ASP 117 Cb 0.00 -2.63 -0.06 0.00 1.01 0.00 0.00 42.92 41.24 2f3g s ASP 117 CO 0.00 -0.76 1.11 -0.89 0.21 0.00 0.00 175.17 174.84 2f3g s THR 118 N -0.16 4.12 -0.21 -1.27 2.01 -1.26 -0.32 115.64 118.56 2f3g s THR 118 Ca 0.59 1.66 -0.10 0.00 0.31 0.00 0.00 61.69 64.15 2f3g s THR 118 Cb -0.44 -4.06 -0.09 0.00 0.01 0.00 0.00 72.50 67.92 2f3g s THR 118 CO 0.46 0.21 -0.26 0.52 -0.69 0.00 0.00 174.62 174.86 2f3g n VAL 119 N 3.16 1.13 -3.79 3.82 0.31 0.43 -4.10 118.33 119.30 2f3g n VAL 119 Ca 0.05 -0.29 -0.13 0.00 -0.01 0.00 0.00 64.34 63.96 2f3g n VAL 119 Cb 0.47 -1.76 -0.11 0.00 -0.91 0.00 0.00 33.84 31.54 2f3g n VAL 119 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 2f3g s ILE 120 N -2.38 0.03 0.06 2.52 1.01 -0.94 0.80 121.20 122.29 2f3g s ILE 120 Ca -0.29 -0.21 0.06 0.00 0.00 0.00 0.00 60.65 60.21 2f3g s ILE 120 Cb 0.11 -0.44 -0.04 0.00 0.01 0.00 0.00 42.46 42.10 2f3g s ILE 120 CO 0.37 -0.12 -0.12 -1.61 0.00 0.00 0.00 174.94 173.47 2f3g s GLU 121 N -0.41 2.23 0.24 2.79 2.02 -0.38 -0.24 118.70 124.95 2f3g s GLU 121 Ca -0.05 -0.92 0.04 0.00 0.02 0.00 0.00 54.97 54.05 2f3g s GLU 121 Cb -0.03 -2.33 -0.05 0.00 0.10 0.00 0.00 34.13 31.82 2f3g s GLU 121 CO 0.01 0.54 -0.00 -0.59 0.02 0.00 0.00 175.26 175.24 2f3g s PHE 122 N -1.06 1.60 -0.67 1.61 -0.12 -1.02 -0.47 117.98 117.84 2f3g s PHE 122 Ca 0.18 -0.91 -0.11 0.00 -0.05 0.00 0.00 56.93 56.04 2f3g s PHE 122 Cb -0.11 -0.93 0.17 0.00 -0.63 0.00 0.00 43.02 41.53 2f3g s PHE 122 CO 0.09 -0.02 0.57 0.34 -0.05 0.00 0.00 175.22 176.16 2f3g s ASP 123 N -3.32 6.16 0.09 1.98 -1.08 0.17 -4.69 116.67 115.98 2f3g s ASP 123 Ca 0.29 -2.41 -0.34 0.00 -0.52 0.00 0.00 52.55 49.57 2f3g s ASP 123 Cb 0.06 -2.10 -0.15 0.00 -1.46 0.00 0.00 42.92 39.26 2f3g s ASP 123 CO 0.09 -0.61 1.54 0.25 0.52 0.00 0.00 175.17 176.96 2f3g h LEU 124 N 7.96 -1.46 -0.76 -1.34 5.85 -1.88 -1.85 115.31 121.84 2f3g h LEU 124 Ca -0.05 0.14 0.12 0.00 0.84 0.00 0.00 57.88 58.93 2f3g h LEU 124 Cb 1.04 0.51 -0.08 0.00 0.37 0.00 0.00 40.66 42.50 2f3g h LEU 124 CO 0.82 -0.59 0.37 -0.65 -0.34 0.00 0.00 178.44 178.04 2f3g h PRO 125 N -0.84 0.56 -0.05 5.25 0.11 -1.94 1.06 132.00 136.15 2f3g h PRO 125 Ca -0.03 -0.03 0.03 0.00 0.11 0.00 0.00 66.00 66.07 2f3g h PRO 125 Cb 0.79 -0.13 -0.03 0.00 0.11 0.00 0.00 31.00 31.74 2f3g h PRO 125 CO -0.18 0.37 -0.11 1.25 -0.21 0.00 0.00 178.00 179.11 2f3g h LEU 126 N 0.57 -0.33 -1.10 2.35 5.85 -1.91 -1.35 115.31 119.39 2f3g h LEU 126 Ca 0.40 0.06 -0.09 0.00 0.84 0.00 0.00 57.88 59.08 2f3g h LEU 126 Cb 0.51 0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.68 2f3g h LEU 126 CO -0.33 -0.16 -0.39 -0.07 -0.34 0.00 0.00 178.44 177.16 2f3g h LEU 127 N -0.17 0.11 -0.98 2.25 3.38 -0.35 0.26 115.31 119.81 2f3g h LEU 127 Ca 0.06 -0.04 -0.08 0.00 0.09 0.00 0.00 57.88 57.91 2f3g h LEU 127 Cb 0.25 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 40.95 2f3g h LEU 127 CO -0.15 0.50 -0.09 -0.33 0.09 0.00 0.00 178.44 178.46 2f3g h GLU 128 N 0.09 0.63 -0.02 1.13 5.08 0.15 0.19 114.58 121.84 2f3g h GLU 128 Ca 0.01 -0.19 -0.15 0.00 -1.00 0.00 0.00 59.36 58.03 2f3g h GLU 128 Cb 0.74 -0.07 0.01 0.00 0.50 0.00 0.00 28.75 29.93 2f3g h GLU 128 CO 0.05 0.72 -0.57 1.49 -1.00 0.00 0.00 179.01 179.71 2f3g h GLU 129 N 0.59 0.41 0.04 2.33 4.81 -0.58 -3.39 114.58 118.79 2f3g h GLU 129 Ca 0.11 -0.42 -0.32 0.00 -0.13 0.00 0.00 59.36 58.59 2f3g h GLU 129 Cb 0.51 0.11 -0.04 0.00 0.63 0.00 0.00 28.75 29.96 2f3g h GLU 129 CO 0.03 1.08 -1.87 1.63 -0.73 0.00 0.00 179.01 179.15 2f3g n LYS 130 N -4.24 0.68 -2.53 1.92 4.76 0.84 -4.95 118.16 114.64 2f3g n LYS 130 Ca -0.10 0.26 -0.38 0.00 -2.87 0.00 0.00 58.31 55.22 2f3g n LYS 130 Cb 0.65 -1.74 -0.04 0.00 -1.84 0.00 0.00 35.03 32.06 2f3g n LYS 130 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2f3g s ALA 131 N -2.58 3.19 0.33 7.82 0.00 0.65 -4.92 121.76 126.27 2f3g s ALA 131 Ca -0.12 0.76 0.05 0.00 0.00 0.00 0.00 51.96 52.65 2f3g s ALA 131 Cb 0.07 -3.29 0.68 0.00 0.00 0.00 0.00 23.12 20.59 2f3g s ALA 131 CO 0.80 -0.18 1.91 -0.22 0.00 0.00 0.00 175.76 178.06 2f3g h LYS 132 N 2.96 0.82 -1.83 0.00 1.63 -1.86 -3.44 116.57 114.85 2f3g h LYS 132 Ca -0.48 -0.05 -0.00 0.00 -0.85 0.00 0.00 60.65 59.27 2f3g h LYS 132 Cb 1.21 -0.18 -0.22 0.00 -0.60 0.00 0.00 32.23 32.44 2f3g h LYS 132 CO 0.64 0.54 0.30 0.45 -3.45 0.00 0.00 179.45 177.93 2f3g s SER 133 N -5.98 -0.58 0.00 4.20 0.15 -1.26 -4.98 113.70 105.25 2f3g s SER 133 Ca -0.10 0.87 0.25 0.00 0.70 0.00 0.00 55.95 57.67 2f3g s SER 133 Cb 0.20 0.80 0.40 0.00 -1.71 0.00 0.00 66.02 65.71 2f3g s SER 133 CO 0.79 -0.37 1.37 0.35 1.20 0.00 0.00 173.24 176.58 2f3g n THR 134 N 1.60 0.00 -1.69 6.45 -2.24 -1.26 -0.76 114.28 116.38 2f3g n THR 134 Ca -0.15 -0.43 -0.43 0.00 -2.27 0.00 0.00 64.05 60.77 2f3g n THR 134 Cb 0.56 1.24 -0.03 0.00 -2.10 0.00 0.00 70.33 70.00 2f3g n THR 134 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 2f3g n LEU 135 N 1.00 3.83 -4.09 3.22 4.77 -1.26 -3.70 117.00 120.77 2f3g n LEU 135 Ca 0.15 1.02 -0.35 0.00 -0.03 0.00 0.00 56.01 56.81 2f3g n LEU 135 Cb 0.53 -1.52 -0.12 0.00 -2.33 0.00 0.00 43.42 39.98 2f3g n LEU 135 CO 0.16 0.08 -0.20 -0.89 -1.33 0.00 0.00 177.39 175.22 2f3g s THR 136 N 2.08 3.03 0.43 -5.08 2.01 -0.64 -2.11 115.64 115.37 2f3g s THR 136 Ca 0.80 -2.21 -0.24 0.00 0.31 0.00 0.00 61.69 60.35 2f3g s THR 136 Cb -0.54 -3.11 -0.08 0.00 0.01 0.00 0.00 72.50 68.79 2f3g s THR 136 CO 0.37 -0.68 1.21 -2.84 -0.69 0.00 0.00 174.62 171.99 2f3g s PRO 137 N 0.98 3.86 -0.30 4.92 0.02 -1.21 -1.96 135.00 141.31 2f3g s PRO 137 Ca 0.10 1.92 0.01 0.00 0.02 0.00 0.00 61.00 63.05 2f3g s PRO 137 Cb -0.22 -2.57 0.09 0.00 0.02 0.00 0.00 34.50 31.82 2f3g s PRO 137 CO -0.05 -0.51 0.05 0.14 -0.33 0.00 0.00 177.00 176.30 2f3g s VAL 138 N -1.41 1.49 0.30 3.83 -7.23 0.26 -2.45 120.40 115.19 2f3g s VAL 138 Ca 0.60 -1.69 0.11 0.00 -1.81 0.00 0.00 61.98 59.20 2f3g s VAL 138 Cb -0.32 -2.04 -0.05 0.00 0.56 0.00 0.00 36.38 34.52 2f3g s VAL 138 CO 0.40 -0.53 -0.15 0.68 -0.31 0.00 0.00 175.10 175.19 2f3g s VAL 139 N 1.32 2.51 -0.24 1.32 -7.23 -0.77 -1.31 120.40 116.00 2f3g s VAL 139 Ca 0.07 -2.30 -0.09 0.00 -1.81 0.00 0.00 61.98 57.85 2f3g s VAL 139 Cb -0.18 -2.45 -0.04 0.00 0.56 0.00 0.00 36.38 34.27 2f3g s VAL 139 CO -0.15 -0.34 0.13 -0.63 -0.31 0.00 0.00 175.10 173.79 2f3g s ILE 140 N -2.52 5.03 -1.00 -0.62 1.09 0.18 -0.87 121.20 122.49 2f3g s ILE 140 Ca 0.31 0.07 0.23 0.00 -1.10 0.00 0.00 60.65 60.16 2f3g s ILE 140 Cb -0.03 -3.34 -0.09 0.00 -1.06 0.00 0.00 42.46 37.94 2f3g s ILE 140 CO 0.16 0.35 1.20 -1.54 -0.10 0.00 0.00 174.94 175.01 2f3g n SER 141 N 4.40 0.71 -1.05 3.58 3.41 0.06 -1.80 113.62 122.92 2f3g n SER 141 Ca -0.15 -0.56 0.07 0.00 -0.26 0.00 0.00 58.87 57.97 2f3g n SER 141 Cb 0.52 0.56 0.23 0.00 -0.26 0.00 0.00 64.21 65.26 2f3g n SER 141 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 2f3g n ASN 142 N -1.50 3.05 -0.18 4.04 4.05 -1.25 -4.82 115.26 118.65 2f3g n ASN 142 Ca 0.05 -2.18 0.06 0.00 0.45 0.00 0.00 54.58 52.96 2f3g n ASN 142 Cb 0.33 -0.41 0.13 0.00 1.23 0.00 0.00 39.78 41.06 2f3g n ASN 142 CO 0.00 0.00 0.00 0.23 -3.05 0.00 0.00 177.26 174.44 2f3g n MET 143 N 0.77 -0.04 0.14 1.20 2.81 -1.26 0.14 117.12 120.88 2f3g n MET 143 Ca 0.17 0.78 0.10 0.00 -1.81 0.00 0.00 57.70 56.94 2f3g n MET 143 Cb 0.55 -1.22 0.51 0.00 -0.71 0.00 0.00 33.22 32.35 2f3g n MET 143 CO 0.00 0.00 0.00 -0.40 1.51 0.00 0.00 175.97 177.08 2f3g n ASP 144 N -4.67 0.51 -1.13 7.83 5.75 -1.26 -1.76 116.55 121.83 2f3g n ASP 144 Ca 0.11 0.72 0.11 0.00 -0.01 0.00 0.00 54.79 55.72 2f3g n ASP 144 Cb 0.36 -0.79 0.24 0.00 -1.03 0.00 0.00 41.12 39.89 2f3g n ASP 144 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 2f3g n GLU 145 N -2.17 2.54 -5.01 0.11 1.02 0.38 -4.95 120.64 112.56 2f3g n GLU 145 Ca -0.01 -2.34 -0.32 0.00 -0.02 0.00 0.00 57.16 54.48 2f3g n GLU 145 Cb 0.06 -1.49 -0.14 0.00 -0.02 0.00 0.00 31.44 29.85 2f3g n GLU 145 CO 0.00 0.00 0.00 0.96 1.18 0.00 0.00 177.13 179.27 2f3g s ILE 146 N -1.22 2.63 -0.06 -3.67 -4.36 -0.72 -4.93 121.20 108.87 2f3g s ILE 146 Ca 0.39 -0.95 -0.21 0.00 -0.26 0.00 0.00 60.65 59.62 2f3g s ILE 146 Cb 0.22 -2.00 -0.16 0.00 1.25 0.00 0.00 42.46 41.77 2f3g s ILE 146 CO 0.29 0.54 0.84 0.50 0.24 0.00 0.00 174.94 177.36 2f3g h LYS 147 N 5.26 -0.19 -3.23 0.37 1.63 -1.52 -3.47 116.57 115.43 2f3g h LYS 147 Ca -0.45 0.01 -0.14 0.00 -0.85 0.00 0.00 60.65 59.22 2f3g h LYS 147 Cb 1.14 0.04 -0.22 0.00 -0.60 0.00 0.00 32.23 32.59 2f3g h LYS 147 CO 0.48 0.26 -0.39 -2.00 -3.45 0.00 0.00 179.45 174.35 2f3g s GLU 148 N -3.29 0.50 -0.25 1.90 2.12 -1.17 -4.93 118.70 113.58 2f3g s GLU 148 Ca -0.13 -0.11 0.00 0.00 0.36 0.00 0.00 54.97 55.10 2f3g s GLU 148 Cb 0.00 0.22 0.04 0.00 0.26 0.00 0.00 34.13 34.65 2f3g s GLU 148 CO 0.47 -0.12 -0.09 -1.17 -0.54 0.00 0.00 175.26 173.81 2f3g s LEU 149 N -0.93 3.19 -0.31 2.70 0.20 -1.26 -0.66 118.68 121.61 2f3g s LEU 149 Ca -0.10 -1.06 -0.05 0.00 0.69 0.00 0.00 54.13 53.61 2f3g s LEU 149 Cb -0.05 -1.60 0.03 0.00 -0.43 0.00 0.00 46.19 44.14 2f3g s LEU 149 CO 0.02 -0.14 0.07 -0.63 -0.29 0.00 0.00 176.35 175.38 2f3g s ILE 150 N 1.24 3.64 -0.05 6.68 1.01 -0.18 -5.01 121.20 128.53 2f3g s ILE 150 Ca -0.03 -1.03 -0.26 0.00 0.00 0.00 0.00 60.65 59.33 2f3g s ILE 150 Cb -0.17 -3.00 -0.03 0.00 0.01 0.00 0.00 42.46 39.27 2f3g s ILE 150 CO -0.06 -0.06 0.79 -0.54 0.00 0.00 0.00 174.94 175.08 2f3g s LYS 151 N 1.40 4.46 0.63 2.79 1.02 -1.26 -1.50 119.74 127.28 2f3g s LYS 151 Ca -0.01 1.05 0.03 0.00 0.02 0.00 0.00 55.97 57.06 2f3g s LYS 151 Cb -0.19 -3.46 0.09 0.00 -0.52 0.00 0.00 37.83 33.75 2f3g s LYS 151 CO 0.02 -0.00 0.87 -0.51 -0.92 0.00 0.00 175.35 174.80 2f3g s LEU 152 N 0.97 3.13 0.19 3.17 1.43 -0.48 -5.02 118.68 122.08 2f3g s LEU 152 Ca 0.42 -0.38 0.05 0.00 -1.03 0.00 0.00 54.13 53.19 2f3g s LEU 152 Cb -0.19 -2.18 -0.05 0.00 0.03 0.00 0.00 46.19 43.80 2f3g s LEU 152 CO 0.21 -1.49 -0.09 -0.44 0.23 0.00 0.00 176.35 174.77 2f3g s SER 153 N -4.61 2.06 0.00 2.29 0.01 -1.26 -4.97 113.70 107.21 2f3g s SER 153 Ca 0.62 -1.08 0.00 0.00 1.31 0.00 0.00 55.95 56.81 2f3g s SER 153 Cb -0.07 -0.05 0.00 0.00 0.21 0.00 0.00 66.02 66.11 2f3g s SER 153 CO 0.41 -0.34 0.00 0.61 0.41 0.00 0.00 173.24 174.33 2f3g n GLY 154 N -0.32 -1.61 3.85 3.44 0.00 -1.26 -4.93 105.19 104.36 2f3g n GLY 154 Ca -0.08 -1.95 -0.38 0.00 0.00 0.00 0.00 46.02 43.61 2f3g n GLY 154 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2f3g s SER 155 N -4.00 6.64 0.15 1.61 0.01 -1.26 0.62 113.70 117.47 2f3g s SER 155 Ca 0.00 0.77 0.05 0.00 1.31 0.00 0.00 55.95 58.08 2f3g s SER 155 Cb 0.00 -2.18 -0.04 0.00 0.21 0.00 0.00 66.02 64.01 2f3g s SER 155 CO 0.00 0.36 -0.11 0.68 0.41 0.00 0.00 173.24 174.57 2f3g s VAL 156 N -1.04 1.25 -0.13 3.43 -7.23 0.10 -4.96 120.40 111.83 2f3g s VAL 156 Ca 0.20 -2.02 0.02 0.00 -1.81 0.00 0.00 61.98 58.37 2f3g s VAL 156 Cb -0.15 -1.81 0.01 0.00 0.56 0.00 0.00 36.38 34.99 2f3g s VAL 156 CO 0.10 -0.68 -0.20 -0.89 -0.31 0.00 0.00 175.10 173.12 2f3g s THR 157 N -3.10 1.89 -0.17 5.32 2.01 -1.26 -1.97 115.64 118.36 2f3g s THR 157 Ca 0.16 -0.88 -0.37 0.00 0.31 0.00 0.00 61.69 60.91 2f3g s THR 157 Cb 0.01 -1.68 -0.17 0.00 0.01 0.00 0.00 72.50 70.66 2f3g s THR 157 CO 0.02 0.52 1.11 0.55 -0.69 0.00 0.00 174.62 176.12 2f3g n VAL 158 N 4.10 0.00 -2.16 3.82 3.14 -1.25 -1.33 118.33 124.65 2f3g n VAL 158 Ca -0.20 0.00 -0.19 0.00 -2.96 0.00 0.00 64.34 61.00 2f3g n VAL 158 Cb 0.51 -0.17 -0.03 0.00 -1.06 0.00 0.00 33.84 33.09 2f3g n VAL 158 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 2f3g n GLY 159 N 2.16 0.15 1.80 7.55 0.00 0.27 -4.70 105.19 112.41 2f3g n GLY 159 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.23 2f3g n GLY 159 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2f3g n GLU 160 N -2.75 0.00 -2.86 1.61 4.07 -0.44 -4.69 120.64 115.58 2f3g n GLU 160 Ca -0.21 0.00 -0.42 0.00 -0.06 0.00 0.00 57.16 56.47 2f3g n GLU 160 Cb 0.65 -0.10 -0.04 0.00 -0.06 0.00 0.00 31.44 31.89 2f3g n GLU 160 CO 0.00 0.00 0.00 0.99 -0.06 0.00 0.00 177.13 178.06 2f3g s THR 161 N -2.00 4.87 0.39 6.31 2.01 -0.77 -4.81 115.64 121.62 2f3g s THR 161 Ca 0.00 1.70 -0.27 0.00 0.31 0.00 0.00 61.69 63.43 2f3g s THR 161 Cb 0.00 -4.17 -0.10 0.00 0.01 0.00 0.00 72.50 68.25 2f3g s THR 161 CO 0.00 0.03 1.38 -2.84 -0.69 0.00 0.00 174.62 172.49 2f3g s PRO 162 N 2.11 4.06 -0.03 4.92 0.02 -1.26 -0.31 135.00 144.51 2f3g s PRO 162 Ca 0.40 2.34 0.04 0.00 0.02 0.00 0.00 61.00 63.79 2f3g s PRO 162 Cb -0.17 -2.88 -0.06 0.00 0.02 0.00 0.00 34.50 31.41 2f3g s PRO 162 CO 0.13 -0.48 0.04 1.33 -0.33 0.00 0.00 177.00 177.69 2f3g n VAL 163 N 0.34 0.21 -3.99 3.83 0.24 0.22 -4.77 118.33 114.41 2f3g n VAL 163 Ca 0.02 -0.16 -0.09 0.00 -2.04 0.00 0.00 64.34 62.08 2f3g n VAL 163 Cb 0.42 -0.57 -0.11 0.00 -1.47 0.00 0.00 33.84 32.11 2f3g n VAL 163 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 2f3g s ILE 164 N -2.15 0.14 -0.07 1.34 1.01 -1.20 -1.38 121.20 118.88 2f3g s ILE 164 Ca -0.02 -1.12 0.02 0.00 0.00 0.00 0.00 60.65 59.53 2f3g s ILE 164 Cb 0.02 -0.63 0.01 0.00 0.01 0.00 0.00 42.46 41.87 2f3g s ILE 164 CO 0.17 -0.62 -0.12 -0.13 0.00 0.00 0.00 174.94 174.25 2f3g s ARG 165 N -2.14 1.71 0.17 2.79 0.52 -0.56 -1.08 118.95 120.36 2f3g s ARG 165 Ca -0.10 -0.41 0.08 0.00 -0.52 0.00 0.00 55.73 54.78 2f3g s ARG 165 Cb -0.05 -1.43 -0.04 0.00 0.52 0.00 0.00 34.95 33.95 2f3g s ARG 165 CO -0.03 0.01 -0.16 0.96 0.02 0.00 0.00 175.30 176.09 2f3g s ILE 166 N 0.73 1.70 0.18 1.52 -4.36 0.23 -1.01 121.20 120.19 2f3g s ILE 166 Ca -0.13 -1.99 0.10 0.00 -0.26 0.00 0.00 60.65 58.37 2f3g s ILE 166 Cb -0.16 -1.86 -0.04 0.00 1.25 0.00 0.00 42.46 41.65 2f3g s ILE 166 CO 0.03 -0.44 -0.22 -0.75 0.24 0.00 0.00 174.94 173.80 2f3g s LYS 167 N -3.09 1.41 0.00 0.37 2.20 0.17 0.30 119.74 121.09 2f3g s LYS 167 Ca 0.17 -1.46 0.00 0.00 -0.36 0.00 0.00 55.97 54.32 2f3g s LYS 167 Cb -0.04 -1.64 0.00 0.00 -1.51 0.00 0.00 37.83 34.64 2f3g s LYS 167 CO 0.06 0.35 0.00 1.17 -0.36 0.00 0.00 175.35 176.57