#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1tfx s VAL 17 N 0.00 4.95 -1.54 1.39 1.01 0.12 -4.24 120.40 122.09 1tfx s VAL 17 Ca 0.00 0.92 -0.03 0.00 0.00 0.00 0.00 61.98 62.87 1tfx s VAL 17 Cb 0.00 -3.76 0.00 0.00 0.00 0.00 0.00 36.38 32.62 1tfx s VAL 17 CO 0.00 0.54 0.42 0.61 0.00 0.00 0.00 175.10 176.67 1tfx n GLY 18 N 1.69 -0.45 0.00 4.51 0.00 -1.24 -2.10 105.19 107.60 1tfx n GLY 18 Ca -0.12 0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.94 1tfx n GLY 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1tfx n GLY 19 N -1.36 5.24 3.13 -0.02 0.00 -1.26 -4.82 105.19 106.10 1tfx n GLY 19 Ca -0.14 -1.94 -0.09 0.00 0.00 0.00 0.00 46.02 43.85 1tfx n GLY 19 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1tfx s TYR 20 N 1.76 0.23 -0.01 1.61 1.13 -0.62 -4.95 117.35 116.50 1tfx s TYR 20 Ca 0.00 -0.58 -0.30 0.00 -1.41 0.00 0.00 57.07 54.78 1tfx s TYR 20 Cb 0.00 -0.16 -0.05 0.00 -1.10 0.00 0.00 41.96 40.65 1tfx s TYR 20 CO 0.00 -0.40 1.37 0.99 -2.51 0.00 0.00 175.55 175.00 1tfx s THR 21 N -2.98 3.80 0.45 -3.49 2.01 -1.26 -0.06 115.64 114.11 1tfx s THR 21 Ca -0.02 1.17 -0.21 0.00 0.31 0.00 0.00 61.69 62.94 1tfx s THR 21 Cb 0.01 -3.75 -0.09 0.00 0.01 0.00 0.00 72.50 68.68 1tfx s THR 21 CO -0.06 -0.00 1.02 0.00 -0.69 0.00 0.00 174.62 174.89 1tfx n ALA 23 N -0.69 2.11 -1.61 0.00 0.00 -1.26 -4.83 120.51 114.23 1tfx n ALA 23 Ca 0.08 0.34 -0.48 0.00 0.00 0.00 0.00 53.44 53.38 1tfx n ALA 23 Cb 0.52 -2.38 -0.04 0.00 0.00 0.00 0.00 19.45 17.55 1tfx n ALA 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1tfx n ALA 24 N 0.39 -0.19 -3.75 0.00 0.00 -1.26 -1.87 120.51 113.84 1tfx n ALA 24 Ca 0.02 0.46 -0.28 0.00 0.00 0.00 0.00 53.44 53.64 1tfx n ALA 24 Cb 0.38 -2.13 0.03 0.00 0.00 0.00 0.00 19.45 17.73 1tfx n ALA 24 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1tfx n ASN 25 N 2.34 -4.99 0.01 0.00 4.13 -1.26 -4.87 115.26 110.62 1tfx n ASN 25 Ca 0.15 -0.67 0.12 0.00 1.68 0.00 0.00 54.58 55.86 1tfx n ASN 25 Cb 0.25 -3.99 0.18 0.00 -1.54 0.00 0.00 39.78 34.68 1tfx n ASN 25 CO 0.00 0.00 0.00 -0.24 0.28 0.00 0.00 177.26 177.30 1tfx n SER 26 N -2.76 0.58 -3.51 6.41 2.88 -0.78 -4.35 113.62 112.10 1tfx n SER 26 Ca 0.02 -0.23 -0.27 0.00 -1.33 0.00 0.00 58.87 57.07 1tfx n SER 26 Cb 0.54 0.36 -0.09 0.00 -0.75 0.00 0.00 64.21 64.27 1tfx n SER 26 CO 0.00 0.00 0.00 -0.38 -1.23 0.00 0.00 175.04 173.43 1tfx n ILE 27 N -1.68 0.92 0.21 2.46 2.08 -1.26 -4.97 119.36 117.11 1tfx n ILE 27 Ca 0.04 -4.57 0.18 0.00 0.56 0.00 0.00 62.75 58.97 1tfx n ILE 27 Cb 0.37 -2.02 0.81 0.00 -0.75 0.00 0.00 39.64 38.05 1tfx n ILE 27 CO 0.00 0.00 0.00 -0.65 0.56 0.00 0.00 176.55 176.46 1tfx h PRO 28 N 4.73 0.00 0.00 0.38 0.11 -1.77 -1.75 132.00 133.70 1tfx h PRO 28 Ca 0.17 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.28 1tfx h PRO 28 Cb 0.77 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.88 1tfx h PRO 28 CO 0.65 0.00 -0.53 2.48 -0.21 0.00 0.00 178.00 180.39 1tfx n TYR 29 N -3.46 0.46 -2.31 0.65 0.18 -0.99 -1.54 117.16 110.15 1tfx n TYR 29 Ca 0.03 0.13 -0.42 0.00 1.88 0.00 0.00 57.90 59.52 1tfx n TYR 29 Cb 0.44 -0.60 -0.03 0.00 -0.38 0.00 0.00 39.34 38.77 1tfx n TYR 29 CO 0.00 0.00 0.00 -1.14 -2.08 0.00 0.00 176.86 173.64 1tfx s GLN 30 N -3.13 4.38 0.13 -3.48 2.00 -0.66 -1.12 119.66 117.78 1tfx s GLN 30 Ca 0.08 1.90 0.07 0.00 -2.00 0.00 0.00 55.36 55.41 1tfx s GLN 30 Cb 0.14 -3.32 -0.04 0.00 0.80 0.00 0.00 33.01 30.59 1tfx s GLN 30 CO 0.70 -0.35 -0.17 0.14 -0.50 0.00 0.00 175.29 175.11 1tfx s VAL 31 N 1.17 1.55 -0.10 1.34 -7.23 -0.24 -4.46 120.40 112.43 1tfx s VAL 31 Ca 0.61 -1.73 -0.03 0.00 -1.81 0.00 0.00 61.98 59.02 1tfx s VAL 31 Cb -0.32 -1.61 -0.03 0.00 0.56 0.00 0.00 36.38 34.97 1tfx s VAL 31 CO 0.29 -0.31 0.02 -0.55 -0.31 0.00 0.00 175.10 174.24 1tfx s SER 32 N -2.38 5.34 -0.21 4.85 0.15 -0.62 -1.63 113.70 119.19 1tfx s SER 32 Ca 0.10 0.15 -0.11 0.00 0.70 0.00 0.00 55.95 56.78 1tfx s SER 32 Cb -0.06 -1.59 -0.05 0.00 -1.71 0.00 0.00 66.02 62.60 1tfx s SER 32 CO 0.04 0.35 0.18 -0.76 1.20 0.00 0.00 173.24 174.25 1tfx s LEU 33 N -0.69 4.18 -0.05 3.45 1.43 -0.20 -0.14 118.68 126.66 1tfx s LEU 33 Ca 0.11 0.25 0.03 0.00 -1.03 0.00 0.00 54.13 53.48 1tfx s LEU 33 Cb -0.12 -2.17 0.01 0.00 0.03 0.00 0.00 46.19 43.94 1tfx s LEU 33 CO 0.02 0.11 -0.12 0.21 0.23 0.00 0.00 176.35 176.80 1tfx s ASN 34 N 0.68 1.70 -0.07 2.29 3.84 0.12 -2.48 114.94 121.03 1tfx s ASN 34 Ca 0.10 -0.28 0.10 0.00 0.21 0.00 0.00 52.86 52.99 1tfx s ASN 34 Cb -0.12 -0.69 0.15 0.00 -0.55 0.00 0.00 41.25 40.04 1tfx s ASN 34 CO 0.02 0.05 1.06 -1.54 -2.79 0.00 0.00 177.10 173.90 1tfx n SER 37 N 3.63 1.34 0.00 -4.21 3.41 -1.26 -0.24 113.62 116.29 1tfx n SER 37 Ca -0.22 -2.54 0.00 0.00 -0.26 0.00 0.00 58.87 55.86 1tfx n SER 37 Cb 0.52 -0.30 0.00 0.00 -0.26 0.00 0.00 64.21 64.17 1tfx n SER 37 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1tfx n GLY 38 N -0.78 2.82 3.45 5.00 0.00 -1.26 -5.07 105.19 109.35 1tfx n GLY 38 Ca 0.08 -0.32 -0.10 0.00 0.00 0.00 0.00 46.02 45.68 1tfx n GLY 38 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1tfx s SER 39 N 0.00 0.04 -0.24 1.61 1.04 -1.26 -5.13 113.70 109.76 1tfx s SER 39 Ca 0.00 -1.12 -0.29 0.00 0.48 0.00 0.00 55.95 55.02 1tfx s SER 39 Cb 0.00 0.52 -0.00 0.00 0.10 0.00 0.00 66.02 66.64 1tfx s SER 39 CO 0.00 -1.05 1.22 -2.28 0.98 0.00 0.00 173.24 172.11 1tfx s HIS 40 N -4.02 2.91 -0.03 5.02 2.46 -1.26 -4.35 115.29 116.02 1tfx s HIS 40 Ca 0.29 1.06 0.04 0.00 0.47 0.00 0.00 55.06 56.91 1tfx s HIS 40 Cb 0.02 -3.63 -0.05 0.00 -0.13 0.00 0.00 32.58 28.79 1tfx s HIS 40 CO 0.11 -1.40 0.04 1.97 -2.47 0.00 0.00 174.74 172.99 1tfx n PHE 41 N 6.94 0.00 -4.02 3.88 -1.74 -1.03 -5.05 117.46 116.43 1tfx n PHE 41 Ca 0.14 0.00 -0.10 0.00 -0.56 0.00 0.00 57.45 56.92 1tfx n PHE 41 Cb 0.46 -0.16 -0.05 0.00 1.52 0.00 0.00 39.48 41.25 1tfx n PHE 41 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 1tfx n GLY 43 N -0.42 3.53 3.96 0.00 0.00 1.00 -1.03 105.19 112.24 1tfx n GLY 43 Ca -0.01 -2.28 0.03 0.00 0.00 0.00 0.00 46.02 43.75 1tfx n GLY 43 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1tfx s GLY 44 N -2.71 -0.14 -0.01 -0.02 0.00 -0.64 -3.95 107.32 99.84 1tfx s GLY 44 Ca 0.06 0.07 0.01 0.00 0.00 0.00 0.00 44.72 44.85 1tfx s GLY 44 CO 0.04 5.26 -0.02 -0.56 0.00 0.00 0.00 173.10 177.82 1tfx s SER 45 N -3.75 0.43 -0.39 1.64 0.01 -0.77 -1.08 113.70 109.79 1tfx s SER 45 Ca 0.28 -0.05 -0.27 0.00 1.31 0.00 0.00 55.95 57.23 1tfx s SER 45 Cb -0.00 -0.13 0.02 0.00 0.21 0.00 0.00 66.02 66.12 1tfx s SER 45 CO -0.01 -0.02 0.98 -0.22 0.41 0.00 0.00 173.24 174.38 1tfx s LEU 46 N 0.38 3.94 0.05 2.44 2.96 -0.28 -0.81 118.68 127.35 1tfx s LEU 46 Ca -0.04 0.56 0.16 0.00 -0.22 0.00 0.00 54.13 54.59 1tfx s LEU 46 Cb -0.07 -3.33 -0.15 0.00 0.50 0.00 0.00 46.19 43.14 1tfx s LEU 46 CO -0.01 -0.94 0.81 0.16 -1.32 0.00 0.00 176.35 175.05 1tfx h ILE 47 N 5.91 0.59 -3.07 6.68 3.07 -1.68 0.12 117.51 129.13 1tfx h ILE 47 Ca -0.23 -2.16 -0.05 0.00 1.55 0.00 0.00 64.86 63.97 1tfx h ILE 47 Cb 1.07 2.13 -0.14 0.00 -0.27 0.00 0.00 36.82 39.61 1tfx h ILE 47 CO 1.02 0.34 0.01 0.54 -1.05 0.00 0.00 178.15 179.00 1tfx s ASN 48 N -5.87 -0.36 0.17 2.16 4.22 -1.18 -4.33 114.94 109.74 1tfx s ASN 48 Ca -0.03 -0.06 0.04 0.00 -2.14 0.00 0.00 52.86 50.67 1tfx s ASN 48 Cb 0.08 0.49 0.19 0.00 1.28 0.00 0.00 41.25 43.30 1tfx s ASN 48 CO 0.81 -0.80 0.85 -1.54 -2.04 0.00 0.00 177.10 174.38 1tfx n SER 49 N 0.06 0.09 -0.09 3.54 3.41 -1.26 -1.69 113.62 117.67 1tfx n SER 49 Ca -0.17 0.29 0.01 0.00 -0.26 0.00 0.00 58.87 58.73 1tfx n SER 49 Cb 0.62 -0.21 0.01 0.00 -0.26 0.00 0.00 64.21 64.37 1tfx n SER 49 CO 0.00 0.00 0.00 1.67 -0.16 0.00 0.00 175.04 176.55 1tfx n GLN 50 N -1.54 0.66 -3.87 4.33 7.27 -1.26 -0.02 117.38 122.94 1tfx n GLN 50 Ca -0.00 -0.91 -0.12 0.00 0.07 0.00 0.00 57.00 56.04 1tfx n GLN 50 Cb 0.44 -0.66 -0.14 0.00 2.41 0.00 0.00 30.24 32.29 1tfx n GLN 50 CO 0.00 0.00 0.00 -1.58 0.07 0.00 0.00 177.06 175.55 1tfx s TRP 51 N -0.37 -0.00 -0.04 3.69 0.52 -0.69 -1.05 118.94 121.01 1tfx s TRP 51 Ca 0.02 0.01 0.05 0.00 0.02 0.00 0.00 56.10 56.20 1tfx s TRP 51 Cb 0.02 -0.00 -0.01 0.00 -1.15 0.00 0.00 33.47 32.33 1tfx s TRP 51 CO 0.00 -0.01 -0.19 0.08 0.02 0.00 0.00 176.95 176.85 1tfx s VAL 52 N -0.04 1.57 -0.08 4.03 1.01 0.31 -2.22 120.40 124.98 1tfx s VAL 52 Ca -0.00 -0.81 -0.08 0.00 0.00 0.00 0.00 61.98 61.09 1tfx s VAL 52 Cb -0.00 -1.33 -0.04 0.00 0.00 0.00 0.00 36.38 35.00 1tfx s VAL 52 CO -0.00 0.45 0.20 -0.69 0.00 0.00 0.00 175.10 175.06 1tfx s VAL 53 N -0.13 5.40 0.00 2.92 1.01 0.01 -0.79 120.40 128.83 1tfx s VAL 53 Ca -0.01 0.30 0.00 0.00 0.00 0.00 0.00 61.98 62.27 1tfx s VAL 53 Cb -0.11 -3.48 0.00 0.00 0.00 0.00 0.00 36.38 32.80 1tfx s VAL 53 CO 0.02 0.58 0.00 -0.24 0.00 0.00 0.00 175.10 175.45 1tfx n SER 54 N 1.83 0.00 -4.88 3.32 2.88 0.42 -1.84 113.62 115.35 1tfx n SER 54 Ca -0.18 -0.89 -0.34 0.00 -1.33 0.00 0.00 58.87 56.13 1tfx n SER 54 Cb 0.54 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.95 1tfx n SER 54 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1tfx s ALA 55 N -1.29 3.81 0.29 -1.46 0.00 -1.26 -0.77 121.76 121.09 1tfx s ALA 55 Ca 0.00 -0.53 0.02 0.00 0.00 0.00 0.00 51.96 51.45 1tfx s ALA 55 Cb 0.00 -2.12 0.46 0.00 0.00 0.00 0.00 23.12 21.46 1tfx s ALA 55 CO 0.00 0.64 1.78 0.00 0.00 0.00 0.00 175.76 178.18 1tfx h ALA 56 N 3.68 1.20 0.00 0.00 0.00 -1.66 -2.34 119.26 120.14 1tfx h ALA 56 Ca -0.49 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.15 1tfx h ALA 56 Cb 1.19 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.83 1tfx h ALA 56 CO 0.68 0.52 0.00 -2.39 0.00 0.00 0.00 179.25 178.06 1tfx n HIS 57 N -4.20 0.00 -0.14 0.00 1.44 -1.26 -1.89 115.22 109.16 1tfx n HIS 57 Ca 0.01 0.00 0.08 0.00 -2.01 0.00 0.00 57.72 55.80 1tfx n HIS 57 Cb 0.32 -0.12 0.29 0.00 0.12 0.00 0.00 29.99 30.60 1tfx n HIS 57 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1tfx s TYR 59 N -1.67 2.77 -0.01 0.00 5.04 -0.79 -5.01 117.35 117.68 1tfx s TYR 59 Ca 0.42 1.30 -0.23 0.00 -2.44 0.00 0.00 57.07 56.12 1tfx s TYR 59 Cb 0.26 -3.84 0.05 0.00 0.35 0.00 0.00 41.96 38.78 1tfx s TYR 59 CO 0.22 -2.45 0.50 0.15 -1.34 0.00 0.00 175.55 172.62 1tfx s LYS 60 N -2.05 0.92 0.28 4.97 1.02 -1.26 -5.07 119.74 118.55 1tfx s LYS 60 Ca 0.53 -0.05 0.06 0.00 0.02 0.00 0.00 55.97 56.52 1tfx s LYS 60 Cb -0.43 0.42 0.41 0.00 -0.52 0.00 0.00 37.83 37.72 1tfx s LYS 60 CO 0.57 -0.29 1.67 0.66 -0.92 0.00 0.00 175.35 177.04 1tfx h SER 61 N 3.22 0.27 -3.28 2.83 4.64 -2.03 -3.42 113.55 115.78 1tfx h SER 61 Ca -0.29 -0.12 -0.55 0.00 -0.47 0.00 0.00 61.79 60.37 1tfx h SER 61 Cb 1.17 -0.07 -0.35 0.00 -0.31 0.00 0.00 62.40 62.84 1tfx h SER 61 CO 0.40 0.68 -0.82 -0.13 -0.87 0.00 0.00 176.83 176.09 1tfx s ARG 62 N -4.09 1.84 -0.06 4.77 0.52 -1.26 -5.03 118.95 115.64 1tfx s ARG 62 Ca -0.04 -0.42 -0.04 0.00 -0.52 0.00 0.00 55.73 54.71 1tfx s ARG 62 Cb 0.13 -1.65 0.02 0.00 0.52 0.00 0.00 34.95 33.97 1tfx s ARG 62 CO 0.78 -0.11 0.15 0.42 0.02 0.00 0.00 175.30 176.55 1tfx s ILE 63 N 1.14 -0.02 -0.11 1.52 1.01 -1.26 -4.72 121.20 118.76 1tfx s ILE 63 Ca -0.05 0.07 -0.00 0.00 0.00 0.00 0.00 60.65 60.67 1tfx s ILE 63 Cb -0.14 -0.22 -0.02 0.00 0.01 0.00 0.00 42.46 42.08 1tfx s ILE 63 CO -0.03 0.03 -0.10 -1.58 0.00 0.00 0.00 174.94 173.26 1tfx s GLN 64 N 0.49 3.23 -0.20 2.79 0.74 0.67 -1.93 119.66 125.46 1tfx s GLN 64 Ca -0.03 -0.63 -0.15 0.00 0.05 0.00 0.00 55.36 54.59 1tfx s GLN 64 Cb -0.05 -2.65 -0.04 0.00 1.10 0.00 0.00 33.01 31.37 1tfx s GLN 64 CO -0.02 0.34 0.35 0.08 -0.55 0.00 0.00 175.29 175.49 1tfx s VAL 65 N 0.03 5.24 -0.40 1.34 1.01 0.22 0.15 120.40 128.00 1tfx s VAL 65 Ca -0.03 0.62 -0.11 0.00 0.00 0.00 0.00 61.98 62.46 1tfx s VAL 65 Cb -0.14 -3.69 0.05 0.00 0.00 0.00 0.00 36.38 32.60 1tfx s VAL 65 CO 0.04 0.29 0.25 -0.13 0.00 0.00 0.00 175.10 175.54 1tfx s ARG 66 N 1.12 2.78 0.14 2.72 1.81 0.81 -2.02 118.95 126.29 1tfx s ARG 66 Ca 0.17 -1.22 0.00 0.00 -1.72 0.00 0.00 55.73 52.96 1tfx s ARG 66 Cb -0.14 -3.80 -0.04 0.00 -0.45 0.00 0.00 34.95 30.52 1tfx s ARG 66 CO 0.07 -0.81 0.30 -0.51 -0.68 0.00 0.00 175.30 173.66 1tfx s LEU 67 N 1.53 4.31 -0.78 2.53 1.02 -0.19 -1.60 118.68 125.51 1tfx s LEU 67 Ca 0.02 0.29 0.00 0.00 0.02 0.00 0.00 54.13 54.46 1tfx s LEU 67 Cb -0.21 -3.02 0.00 0.00 0.02 0.00 0.00 46.19 42.98 1tfx s LEU 67 CO 0.05 0.06 0.00 0.61 0.02 0.00 0.00 176.35 177.10 1tfx n GLY 69 N -0.28 0.91 3.80 -3.19 0.00 -1.26 -0.63 105.19 104.53 1tfx n GLY 69 Ca -0.05 -0.39 -0.30 0.00 0.00 0.00 0.00 46.02 45.28 1tfx n GLY 69 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1tfx s GLU 70 N -2.32 1.89 0.26 1.61 0.41 -1.26 -4.05 118.70 115.24 1tfx s GLU 70 Ca 0.00 0.59 0.00 0.00 -0.41 0.00 0.00 54.97 55.15 1tfx s GLU 70 Cb 0.00 -1.90 0.00 0.00 -1.78 0.00 0.00 34.13 30.45 1tfx s GLU 70 CO 0.00 -1.74 0.00 1.58 -0.49 0.00 0.00 175.26 174.61 1tfx n HIS 71 N -3.51 -2.91 -3.54 1.61 -0.00 -1.26 -4.64 115.22 100.97 1tfx n HIS 71 Ca 0.07 0.72 -0.41 0.00 -0.00 0.00 0.00 57.72 58.09 1tfx n HIS 71 Cb 0.57 1.78 -0.08 0.00 -0.00 0.00 0.00 29.99 32.26 1tfx n HIS 71 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 176.34 177.55 1tfx s ASN 72 N -3.06 5.78 0.00 0.26 3.84 -1.25 -2.37 114.94 118.14 1tfx s ASN 72 Ca 0.00 -2.15 0.02 0.00 0.21 0.00 0.00 52.86 50.94 1tfx s ASN 72 Cb 0.00 -2.02 0.11 0.00 -0.55 0.00 0.00 41.25 38.79 1tfx s ASN 72 CO 0.00 -0.64 0.79 2.30 -2.79 0.00 0.00 177.10 176.76 1tfx n ILE 73 N 4.59 0.72 0.86 -5.21 -5.35 -0.76 -1.96 119.36 112.24 1tfx n ILE 73 Ca -0.03 0.18 0.09 0.00 -0.27 0.00 0.00 62.75 62.72 1tfx n ILE 73 Cb 0.41 -1.15 -0.06 0.00 -1.74 0.00 0.00 39.64 37.10 1tfx n ILE 73 CO 0.00 0.00 0.00 0.47 -1.76 0.00 0.00 176.55 175.26 1tfx n ASP 74 N -1.19 1.28 -4.02 7.28 8.00 -1.26 -4.95 116.55 121.68 1tfx n ASP 74 Ca 0.01 -1.14 -0.21 0.00 0.71 0.00 0.00 54.79 54.16 1tfx n ASP 74 Cb 0.01 0.77 -0.16 0.00 -0.02 0.00 0.00 41.12 41.73 1tfx n ASP 74 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1tfx s VAL 75 N -2.49 0.89 -0.65 2.53 1.01 -0.83 -5.08 120.40 115.78 1tfx s VAL 75 Ca 0.11 -0.42 -0.27 0.00 0.00 0.00 0.00 61.98 61.40 1tfx s VAL 75 Cb 0.15 -0.79 0.02 0.00 0.00 0.00 0.00 36.38 35.75 1tfx s VAL 75 CO 0.63 0.27 1.43 -0.22 0.00 0.00 0.00 175.10 177.21 1tfx s LEU 76 N 0.18 3.27 0.05 3.92 2.96 -1.26 -4.77 118.68 123.02 1tfx s LEU 76 Ca -0.03 -0.05 0.23 0.00 -0.22 0.00 0.00 54.13 54.06 1tfx s LEU 76 Cb -0.09 -2.74 0.19 0.00 0.50 0.00 0.00 46.19 44.06 1tfx s LEU 76 CO 0.01 -1.88 1.16 -0.62 -1.32 0.00 0.00 176.35 173.70 1tfx n GLU 77 N 9.08 0.20 0.00 1.98 1.02 -1.26 -5.00 120.64 126.65 1tfx n GLU 77 Ca 0.09 0.01 0.00 0.00 -0.02 0.00 0.00 57.16 57.25 1tfx n GLU 77 Cb 0.50 -1.58 0.00 0.00 -0.02 0.00 0.00 31.44 30.34 1tfx n GLU 77 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1tfx n GLY 78 N 1.40 2.30 0.01 0.62 0.00 -1.26 -4.91 105.19 103.35 1tfx n GLY 78 Ca 0.03 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.16 1tfx n GLY 78 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1tfx n ASN 79 N 0.00 0.69 -4.76 1.61 4.13 -1.26 -5.00 115.26 110.67 1tfx n ASN 79 Ca 0.00 -0.54 -0.32 0.00 1.68 0.00 0.00 54.58 55.39 1tfx n ASN 79 Cb 0.00 0.99 0.07 0.00 -1.54 0.00 0.00 39.78 39.30 1tfx n ASN 79 CO 0.00 0.00 0.00 -1.61 0.28 0.00 0.00 177.26 175.93 1tfx s GLU 80 N -3.13 2.51 -0.09 3.52 8.01 -1.26 -4.67 118.70 123.60 1tfx s GLU 80 Ca 0.05 1.37 0.01 0.00 0.01 0.00 0.00 54.97 56.41 1tfx s GLU 80 Cb 0.15 -1.92 0.02 0.00 -4.31 0.00 0.00 34.13 28.08 1tfx s GLU 80 CO 0.84 -1.47 -0.10 -0.65 0.01 0.00 0.00 175.26 173.89 1tfx s GLN 81 N -4.32 1.61 -0.38 1.61 -0.21 0.19 -4.97 119.66 113.19 1tfx s GLN 81 Ca 0.66 -0.33 -0.10 0.00 0.02 0.00 0.00 55.36 55.62 1tfx s GLN 81 Cb -0.20 -1.50 0.05 0.00 1.00 0.00 0.00 33.01 32.35 1tfx s GLN 81 CO 0.46 -0.13 0.20 -0.06 -2.12 0.00 0.00 175.29 173.65 1tfx s PHE 82 N 1.22 3.28 -0.04 0.91 0.40 -1.26 -1.02 117.98 121.47 1tfx s PHE 82 Ca -0.04 -1.24 0.04 0.00 -0.60 0.00 0.00 56.93 55.10 1tfx s PHE 82 Cb -0.14 -2.57 -0.00 0.00 0.51 0.00 0.00 43.02 40.81 1tfx s PHE 82 CO -0.03 -0.73 -0.17 0.42 0.70 0.00 0.00 175.22 175.41 1tfx s ILE 83 N 1.48 1.44 0.33 0.64 1.01 -0.86 -5.00 121.20 120.24 1tfx s ILE 83 Ca 0.01 -0.73 -0.10 0.00 0.00 0.00 0.00 60.65 59.84 1tfx s ILE 83 Cb -0.20 -1.23 -0.07 0.00 0.01 0.00 0.00 42.46 40.97 1tfx s ILE 83 CO 0.04 0.41 0.67 0.20 0.00 0.00 0.00 174.94 176.27 1tfx s ASN 84 N -0.01 6.56 0.14 3.58 -0.87 -1.26 -0.61 114.94 122.47 1tfx s ASN 84 Ca -0.03 1.02 -0.30 0.00 -1.57 0.00 0.00 52.86 51.98 1tfx s ASN 84 Cb -0.11 -2.27 -0.07 0.00 -0.02 0.00 0.00 41.25 38.78 1tfx s ASN 84 CO 0.02 -0.26 1.08 0.00 -2.57 0.00 0.00 177.10 175.37 1tfx s ALA 85 N -2.14 3.34 -0.19 0.60 0.00 -0.81 -0.37 121.76 122.19 1tfx s ALA 85 Ca 0.49 0.76 0.11 0.00 0.00 0.00 0.00 51.96 53.32 1tfx s ALA 85 Cb -0.11 -3.35 -0.22 0.00 0.00 0.00 0.00 23.12 19.44 1tfx s ALA 85 CO 0.27 -0.21 0.08 0.00 0.00 0.00 0.00 175.76 175.90 1tfx n ALA 86 N 2.76 1.43 -3.07 0.00 0.00 0.21 -4.72 120.51 117.12 1tfx n ALA 86 Ca 0.04 -1.14 -0.12 0.00 0.00 0.00 0.00 53.44 52.22 1tfx n ALA 86 Cb 0.47 -0.28 -0.11 0.00 0.00 0.00 0.00 19.45 19.52 1tfx n ALA 86 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1tfx s LYS 87 N -2.52 0.32 -0.10 0.00 1.02 -1.17 -4.99 119.74 112.30 1tfx s LYS 87 Ca -0.18 -0.05 -0.00 0.00 0.02 0.00 0.00 55.97 55.76 1tfx s LYS 87 Cb 0.07 0.14 0.02 0.00 -0.52 0.00 0.00 37.83 37.55 1tfx s LYS 87 CO 0.76 -0.06 -0.06 0.42 -0.92 0.00 0.00 175.35 175.48 1tfx s ILE 88 N -0.56 0.89 -0.23 2.17 1.01 -1.26 -0.84 121.20 122.37 1tfx s ILE 88 Ca -0.06 -0.22 0.01 0.00 0.00 0.00 0.00 60.65 60.38 1tfx s ILE 88 Cb -0.04 -0.92 0.06 0.00 0.01 0.00 0.00 42.46 41.56 1tfx s ILE 88 CO 0.01 0.34 -0.07 -0.63 0.00 0.00 0.00 174.94 174.58 1tfx s ILE 89 N 1.62 1.66 0.32 2.92 1.01 0.55 -5.01 121.20 124.28 1tfx s ILE 89 Ca 0.02 -1.24 -0.08 0.00 0.00 0.00 0.00 60.65 59.35 1tfx s ILE 89 Cb -0.13 -1.86 -0.06 0.00 0.01 0.00 0.00 42.46 40.42 1tfx s ILE 89 CO -0.06 -0.03 0.64 0.42 0.00 0.00 0.00 174.94 175.91 1tfx s THR 90 N 1.35 4.90 0.25 2.92 -4.23 -1.26 -0.85 115.64 118.71 1tfx s THR 90 Ca -0.05 0.39 -0.31 0.00 -1.18 0.00 0.00 61.69 60.54 1tfx s THR 90 Cb -0.18 -3.70 -0.11 0.00 1.34 0.00 0.00 72.50 69.84 1tfx s THR 90 CO -0.06 -0.34 1.63 -2.28 -0.54 0.00 0.00 174.62 173.02 1tfx s HIS 91 N -2.14 2.85 0.37 3.99 2.46 -0.92 -4.88 115.29 117.03 1tfx s HIS 91 Ca 0.48 0.62 0.15 0.00 0.47 0.00 0.00 55.06 56.78 1tfx s HIS 91 Cb -0.11 -4.07 1.02 0.00 -0.13 0.00 0.00 32.58 29.29 1tfx s HIS 91 CO 0.28 -3.78 1.77 -1.35 -2.47 0.00 0.00 174.74 169.19 1tfx h PRO 92 N 5.76 0.46 -0.69 2.88 0.11 -1.93 -1.38 132.00 137.21 1tfx h PRO 92 Ca -0.45 -0.03 -0.14 0.00 0.11 0.00 0.00 66.00 65.49 1tfx h PRO 92 Cb 1.21 -0.10 -0.08 0.00 0.11 0.00 0.00 31.00 32.13 1tfx h PRO 92 CO 0.86 0.31 0.17 0.09 -0.21 0.00 0.00 178.00 179.22 1tfx n ASN 93 N -4.67 5.22 -4.69 -2.05 5.03 -1.26 -4.97 115.26 107.86 1tfx n ASN 93 Ca 0.25 -3.11 -0.42 0.00 0.87 0.00 0.00 54.58 52.17 1tfx n ASN 93 Cb 0.80 -0.73 -0.03 0.00 -1.02 0.00 0.00 39.78 38.80 1tfx n ASN 93 CO 0.00 0.00 0.00 0.12 -1.83 0.00 0.00 177.26 175.55 1tfx s PHE 94 N -2.90 2.14 -0.36 3.10 5.36 -0.52 -4.66 117.98 120.14 1tfx s PHE 94 Ca 0.55 0.02 -0.11 0.00 -0.96 0.00 0.00 56.93 56.44 1tfx s PHE 94 Cb 0.43 -4.14 0.02 0.00 -0.34 0.00 0.00 43.02 38.99 1tfx s PHE 94 CO 0.15 -4.69 0.19 1.21 -1.46 0.00 0.00 175.22 170.62 1tfx s ASN 95 N 2.77 5.68 0.43 6.13 3.84 -0.40 -4.96 114.94 128.43 1tfx s ASN 95 Ca 0.80 -0.85 0.29 0.00 0.21 0.00 0.00 52.86 53.31 1tfx s ASN 95 Cb -0.44 -2.02 1.51 0.00 -0.55 0.00 0.00 41.25 39.75 1tfx s ASN 95 CO 0.36 -0.33 1.89 1.23 -2.79 0.00 0.00 177.10 177.46 1tfx h GLY 96 N 8.41 0.00 0.00 1.21 0.00 -1.92 0.16 103.07 110.92 1tfx h GLY 96 Ca -0.28 0.00 -0.28 0.00 0.00 0.00 0.00 47.33 46.77 1tfx h GLY 96 CO 0.65 0.00 -1.76 0.70 0.00 0.00 0.00 176.54 176.13 1tfx n ASN 97 N -2.54 1.92 0.13 0.19 4.13 -1.26 -4.51 115.26 113.31 1tfx n ASN 97 Ca -0.01 0.39 0.12 0.00 1.68 0.00 0.00 54.58 56.76 1tfx n ASN 97 Cb 0.09 -0.85 0.26 0.00 -1.54 0.00 0.00 39.78 37.74 1tfx n ASN 97 CO 0.00 0.00 0.00 0.71 0.28 0.00 0.00 177.26 178.25 1tfx h THR 98 N -1.00 0.00 -0.58 3.41 1.35 -2.00 -3.47 112.91 110.63 1tfx h THR 98 Ca -0.43 -0.67 -0.22 0.00 -0.55 0.00 0.00 66.41 64.54 1tfx h THR 98 Cb 1.33 1.54 -0.08 0.00 -1.73 0.00 0.00 68.15 69.21 1tfx h THR 98 CO -0.26 0.00 -0.20 0.18 -0.25 0.00 0.00 175.52 174.99 1tfx n LEU 99 N -2.50 -0.83 -4.75 3.87 4.77 0.54 -4.99 117.00 113.11 1tfx n LEU 99 Ca 0.04 0.25 -0.41 0.00 -0.03 0.00 0.00 56.01 55.86 1tfx n LEU 99 Cb 0.47 -1.72 -0.04 0.00 -2.33 0.00 0.00 43.42 39.80 1tfx n LEU 99 CO 0.33 -0.53 0.79 -0.62 -1.33 0.00 0.00 177.39 176.03 1tfx s ASP 100 N -2.86 7.27 -0.70 -1.43 2.15 -1.24 -3.66 116.67 116.21 1tfx s ASP 100 Ca 0.00 2.19 -0.03 0.00 0.43 0.00 0.00 52.55 55.14 1tfx s ASP 100 Cb 0.00 -2.62 0.00 0.00 -0.30 0.00 0.00 42.92 40.01 1tfx s ASP 100 CO 0.00 -0.17 0.60 0.59 -0.17 0.00 0.00 175.17 176.02 1tfx n ASN 101 N 1.74 -3.34 -3.44 -0.34 4.13 -1.26 -1.27 115.26 111.47 1tfx n ASN 101 Ca 0.01 -0.31 -0.39 0.00 1.68 0.00 0.00 54.58 55.56 1tfx n ASN 101 Cb 0.45 -2.98 -0.02 0.00 -1.54 0.00 0.00 39.78 35.69 1tfx n ASN 101 CO 0.00 0.00 0.00 -0.67 0.28 0.00 0.00 177.26 176.87 1tfx n ASP 102 N -1.48 6.96 -4.17 6.41 -0.08 -1.24 -4.34 116.55 118.60 1tfx n ASP 102 Ca -0.07 -2.65 -0.18 0.00 -1.51 0.00 0.00 54.79 50.38 1tfx n ASP 102 Cb 0.56 -1.56 -0.12 0.00 2.34 0.00 0.00 41.12 42.33 1tfx n ASP 102 CO 0.00 0.00 0.00 -0.51 0.12 0.00 0.00 177.20 176.81 1tfx s ILE 103 N 2.60 1.11 -0.17 5.18 2.07 -1.26 -3.51 121.20 127.23 1tfx s ILE 103 Ca 0.61 -1.28 -0.14 0.00 -1.41 0.00 0.00 60.65 58.43 1tfx s ILE 103 Cb 0.16 -1.06 0.05 0.00 0.13 0.00 0.00 42.46 41.73 1tfx s ILE 103 CO -0.07 -0.21 0.43 -0.32 -1.91 0.00 0.00 174.94 172.87 1tfx s MET 104 N -1.69 0.49 -0.14 3.50 -2.45 0.05 -2.16 119.30 116.90 1tfx s MET 104 Ca -0.02 0.64 -0.02 0.00 -1.25 0.00 0.00 55.69 55.05 1tfx s MET 104 Cb -0.10 0.20 -0.02 0.00 1.25 0.00 0.00 34.83 36.16 1tfx s MET 104 CO 0.02 -0.08 -0.08 -0.51 1.05 0.00 0.00 175.02 175.43 1tfx s LEU 105 N 0.45 3.04 -0.13 4.11 1.43 -0.03 -0.44 118.68 127.12 1tfx s LEU 105 Ca -0.02 -0.19 0.01 0.00 -1.03 0.00 0.00 54.13 52.91 1tfx s LEU 105 Cb -0.04 -1.71 -0.01 0.00 0.03 0.00 0.00 46.19 44.47 1tfx s LEU 105 CO -0.02 0.19 -0.18 -0.63 0.23 0.00 0.00 176.35 175.94 1tfx s ILE 106 N 0.22 2.58 -0.22 -0.59 1.01 0.03 -0.33 121.20 123.90 1tfx s ILE 106 Ca -0.05 -0.82 -0.10 0.00 0.00 0.00 0.00 60.65 59.68 1tfx s ILE 106 Cb -0.14 -2.05 -0.05 0.00 0.01 0.00 0.00 42.46 40.22 1tfx s ILE 106 CO 0.04 0.53 0.15 -0.75 0.00 0.00 0.00 174.94 174.91 1tfx s LYS 107 N 0.50 4.13 0.36 2.79 2.20 -0.02 -0.53 119.74 129.16 1tfx s LYS 107 Ca -0.12 -0.23 -0.26 0.00 -0.36 0.00 0.00 55.97 55.00 1tfx s LYS 107 Cb -0.16 -3.48 -0.09 0.00 -1.51 0.00 0.00 37.83 32.58 1tfx s LYS 107 CO 0.05 0.17 1.05 -0.51 -0.36 0.00 0.00 175.35 175.75 1tfx s LEU 108 N 0.73 4.27 0.27 5.43 1.43 -0.21 0.65 118.68 131.26 1tfx s LEU 108 Ca 0.08 2.07 0.25 0.00 -1.03 0.00 0.00 54.13 55.50 1tfx s LEU 108 Cb -0.12 -4.02 0.98 0.00 0.03 0.00 0.00 46.19 43.06 1tfx s LEU 108 CO 0.02 -0.35 1.74 0.77 0.23 0.00 0.00 176.35 178.76 1tfx h SER 109 N 2.93 0.00 -4.13 2.29 4.64 -0.99 -3.42 113.55 114.87 1tfx h SER 109 Ca -0.48 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 60.68 1tfx h SER 109 Cb 1.21 0.00 -0.25 0.00 -0.31 0.00 0.00 62.40 63.06 1tfx h SER 109 CO 0.64 0.00 -0.48 -0.44 -0.87 0.00 0.00 176.83 175.68 1tfx s SER 110 N -4.42 -0.15 0.30 4.97 0.01 -1.26 -5.01 113.70 108.13 1tfx s SER 110 Ca 0.05 0.23 -0.29 0.00 1.31 0.00 0.00 55.95 57.25 1tfx s SER 110 Cb 0.10 0.35 -0.10 0.00 0.21 0.00 0.00 66.02 66.57 1tfx s SER 110 CO 0.44 -0.16 1.43 -2.84 0.41 0.00 0.00 173.24 172.53 1tfx s PRO 111 N -0.31 4.25 0.34 12.44 0.02 -1.26 -4.87 135.00 145.60 1tfx s PRO 111 Ca -0.04 2.35 -0.27 0.00 0.02 0.00 0.00 61.00 63.06 1tfx s PRO 111 Cb -0.03 -3.07 -0.09 0.00 0.02 0.00 0.00 34.50 31.33 1tfx s PRO 111 CO 0.01 -0.40 1.15 0.00 -0.33 0.00 0.00 177.00 177.42 1tfx s ALA 112 N -0.47 3.29 -0.55 -1.55 0.00 0.96 -4.95 121.76 118.50 1tfx s ALA 112 Ca 0.56 0.95 -0.28 0.00 0.00 0.00 0.00 51.96 53.19 1tfx s ALA 112 Cb -0.43 -3.36 0.03 0.00 0.00 0.00 0.00 23.12 19.36 1tfx s ALA 112 CO 0.49 -0.37 1.16 0.99 0.00 0.00 0.00 175.76 178.04 1tfx s THR 113 N -1.31 4.09 0.70 0.00 2.01 -1.26 -4.89 115.64 114.98 1tfx s THR 113 Ca 0.51 0.98 -0.07 0.00 0.31 0.00 0.00 61.69 63.42 1tfx s THR 113 Cb -0.31 -4.68 0.06 0.00 0.01 0.00 0.00 72.50 67.57 1tfx s THR 113 CO 0.40 -1.23 1.01 -0.76 -0.69 0.00 0.00 174.62 173.35 1tfx s LEU 114 N 4.76 2.83 0.00 4.42 1.43 -1.26 -4.79 118.68 126.07 1tfx s LEU 114 Ca 0.44 0.47 0.00 0.00 -1.03 0.00 0.00 54.13 54.01 1tfx s LEU 114 Cb -0.07 -3.13 0.00 0.00 0.03 0.00 0.00 46.19 43.02 1tfx s LEU 114 CO 0.27 -1.58 0.00 0.59 0.23 0.00 0.00 176.35 175.87 1tfx n ASN 115 N -2.91 0.00 0.00 2.29 4.13 0.00 -4.94 115.26 113.83 1tfx n ASN 115 Ca 0.08 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.34 1tfx n ASN 115 Cb 0.60 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.84 1tfx n ASN 115 CO 0.00 0.00 0.00 -0.24 0.28 0.00 0.00 177.26 177.30 1tfx n SER 116 N 0.00 0.00 0.02 6.41 2.88 -1.26 -3.69 113.62 117.98 1tfx n SER 116 Ca 0.00 0.00 0.11 0.00 -1.33 0.00 0.00 58.87 57.65 1tfx n SER 116 Cb 0.00 0.00 0.09 0.00 -0.75 0.00 0.00 64.21 63.55 1tfx n SER 116 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1tfx n ARG 117 N 0.00 0.20 -3.72 -1.46 1.74 -1.26 -4.72 116.66 107.43 1tfx n ARG 117 Ca 0.00 0.01 -0.28 0.00 -0.77 0.00 0.00 57.85 56.81 1tfx n ARG 117 Cb 0.00 -1.58 -0.16 0.00 -1.02 0.00 0.00 32.46 29.70 1tfx n ARG 117 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1tfx s VAL 118 N -3.13 0.55 0.04 1.55 1.01 -1.24 -4.33 120.40 114.85 1tfx s VAL 118 Ca 0.06 -0.74 -0.00 0.00 0.00 0.00 0.00 61.98 61.30 1tfx s VAL 118 Cb 0.15 -1.15 -0.03 0.00 0.00 0.00 0.00 36.38 35.35 1tfx s VAL 118 CO 0.77 -0.34 -0.03 0.00 0.00 0.00 0.00 175.10 175.50 1tfx s ALA 119 N 1.83 0.32 0.52 5.51 0.00 -0.59 -0.82 121.76 128.54 1tfx s ALA 119 Ca 0.02 -0.86 -0.10 0.00 0.00 0.00 0.00 51.96 51.01 1tfx s ALA 119 Cb -0.17 0.19 -0.05 0.00 0.00 0.00 0.00 23.12 23.09 1tfx s ALA 119 CO -0.13 -0.24 0.90 0.95 0.00 0.00 0.00 175.76 177.24 1tfx s THR 120 N -2.48 4.75 -0.01 0.00 -4.23 -1.26 -2.33 115.64 110.07 1tfx s THR 120 Ca -0.06 0.69 0.02 0.00 -1.18 0.00 0.00 61.69 61.17 1tfx s THR 120 Cb -0.02 -3.81 -0.03 0.00 1.34 0.00 0.00 72.50 69.97 1tfx s THR 120 CO -0.05 -0.86 -0.04 0.54 -0.54 0.00 0.00 174.62 173.68 1tfx s VAL 121 N -2.80 3.87 0.33 2.29 0.11 0.43 -4.85 120.40 119.79 1tfx s VAL 121 Ca 0.53 -0.65 -0.26 0.00 -2.93 0.00 0.00 61.98 58.66 1tfx s VAL 121 Cb -0.10 -2.68 -0.10 0.00 -1.53 0.00 0.00 36.38 31.97 1tfx s VAL 121 CO 0.43 0.42 0.98 -0.55 -3.33 0.00 0.00 175.10 173.06 1tfx s SER 122 N -1.37 7.23 0.65 3.54 0.15 -1.26 -4.54 113.70 118.11 1tfx s SER 122 Ca 0.17 1.94 -0.11 0.00 0.70 0.00 0.00 55.95 58.65 1tfx s SER 122 Cb -0.11 -2.59 -0.02 0.00 -1.71 0.00 0.00 66.02 61.59 1tfx s SER 122 CO 0.07 -0.15 1.05 -0.76 1.20 0.00 0.00 173.24 174.65 1tfx s LEU 123 N -2.04 3.16 0.23 3.45 1.43 -1.26 -0.19 118.68 123.45 1tfx s LEU 123 Ca 0.50 1.45 -0.30 0.00 -1.03 0.00 0.00 54.13 54.76 1tfx s LEU 123 Cb -0.21 -4.42 -0.09 0.00 0.03 0.00 0.00 46.19 41.50 1tfx s LEU 123 CO 0.27 -1.10 1.30 -2.84 0.23 0.00 0.00 176.35 174.21 1tfx s PRO 124 N -5.16 4.40 0.08 1.29 0.02 -1.26 -4.63 135.00 129.74 1tfx s PRO 124 Ca 0.56 2.07 0.18 0.00 0.02 0.00 0.00 61.00 63.84 1tfx s PRO 124 Cb -0.12 -3.17 -0.12 0.00 0.02 0.00 0.00 34.50 31.11 1tfx s PRO 124 CO 0.54 -0.22 0.84 0.54 -0.33 0.00 0.00 177.00 178.38 1tfx n ARG 125 N 2.21 0.62 -3.73 5.54 1.74 -1.26 -4.93 116.66 116.85 1tfx n ARG 125 Ca 0.05 0.19 -0.10 0.00 -0.77 0.00 0.00 57.85 57.22 1tfx n ARG 125 Cb 0.43 -1.80 -0.06 0.00 -1.02 0.00 0.00 32.46 30.01 1tfx n ARG 125 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1tfx s SER 127 N -5.65 -0.08 0.77 0.55 1.04 -1.26 -5.16 113.70 103.91 1tfx s SER 127 Ca -0.03 -0.44 -0.11 0.00 0.48 0.00 0.00 55.95 55.84 1tfx s SER 127 Cb 0.09 0.41 0.06 0.00 0.10 0.00 0.00 66.02 66.68 1tfx s SER 127 CO 0.81 -0.79 1.09 0.00 0.98 0.00 0.00 173.24 175.34 1tfx s ALA 129 N -3.18 3.60 0.17 0.00 0.00 -1.26 -5.09 121.76 116.01 1tfx s ALA 129 Ca 0.60 -0.15 0.01 0.00 0.00 0.00 0.00 51.96 52.42 1tfx s ALA 129 Cb -0.14 -2.50 -0.04 0.00 0.00 0.00 0.00 23.12 20.45 1tfx s ALA 129 CO 0.54 0.46 0.34 0.00 0.00 0.00 0.00 175.76 177.10 1tfx s ALA 130 N -1.41 3.89 0.22 0.00 0.00 -1.26 -5.03 121.76 118.18 1tfx s ALA 130 Ca 0.36 -0.91 -0.31 0.00 0.00 0.00 0.00 51.96 51.09 1tfx s ALA 130 Cb -0.15 -1.90 -0.14 0.00 0.00 0.00 0.00 23.12 20.92 1tfx s ALA 130 CO 0.19 0.49 1.30 0.00 0.00 0.00 0.00 175.76 177.74 1tfx n ALA 132 N -0.58 0.43 0.00 0.00 0.00 -1.26 -1.66 120.51 117.43 1tfx n ALA 132 Ca -0.06 0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.81 1tfx n ALA 132 Cb 0.54 -2.18 0.00 0.00 0.00 0.00 0.00 19.45 17.81 1tfx n ALA 132 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1tfx n GLY 133 N 2.01 2.98 3.74 0.00 0.00 0.91 -4.96 105.19 109.87 1tfx n GLY 133 Ca 0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 1tfx n GLY 133 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1tfx s THR 134 N -2.72 2.07 -0.04 2.61 2.01 -0.67 -4.64 115.64 114.27 1tfx s THR 134 Ca 0.00 0.06 -0.21 0.00 0.31 0.00 0.00 61.69 61.85 1tfx s THR 134 Cb 0.00 -3.04 -0.05 0.00 0.01 0.00 0.00 72.50 69.43 1tfx s THR 134 CO 0.00 0.01 0.61 -0.70 -0.69 0.00 0.00 174.62 173.84 1tfx s GLU 135 N 0.13 4.36 0.39 4.92 2.12 -1.26 -1.24 118.70 128.11 1tfx s GLU 135 Ca 0.67 0.73 0.04 0.00 0.36 0.00 0.00 54.97 56.77 1tfx s GLU 135 Cb -0.48 -3.39 -0.04 0.00 0.26 0.00 0.00 34.13 30.48 1tfx s GLU 135 CO 0.42 0.25 0.08 0.00 -0.54 0.00 0.00 175.26 175.46 1tfx s LEU 137 N -3.60 1.75 -0.16 0.00 2.96 0.57 -1.80 118.68 118.39 1tfx s LEU 137 Ca 0.28 -0.37 0.00 0.00 -0.22 0.00 0.00 54.13 53.82 1tfx s LEU 137 Cb 0.06 -0.99 0.00 0.00 0.50 0.00 0.00 46.19 45.76 1tfx s LEU 137 CO 0.14 0.06 -0.16 -0.63 -1.32 0.00 0.00 176.35 174.44 1tfx s ILE 138 N 0.63 2.54 0.11 6.68 1.01 0.25 -1.00 121.20 131.42 1tfx s ILE 138 Ca -0.15 -0.80 0.06 0.00 0.00 0.00 0.00 60.65 59.76 1tfx s ILE 138 Cb -0.16 -2.07 -0.04 0.00 0.01 0.00 0.00 42.46 40.20 1tfx s ILE 138 CO 0.04 0.52 -0.16 -0.94 0.00 0.00 0.00 174.94 174.40 1tfx s SER 139 N 0.96 2.11 0.00 3.58 1.04 -1.16 -1.18 113.70 119.06 1tfx s SER 139 Ca -0.03 -0.75 0.00 0.00 0.48 0.00 0.00 55.95 55.65 1tfx s SER 139 Cb -0.15 -0.09 0.00 0.00 0.10 0.00 0.00 66.02 65.88 1tfx s SER 139 CO -0.03 -0.08 0.00 0.61 0.98 0.00 0.00 173.24 174.72 1tfx n GLY 140 N 0.77 1.25 2.13 7.32 0.00 -0.85 -4.30 105.19 111.52 1tfx n GLY 140 Ca -0.17 -0.86 -0.21 0.00 0.00 0.00 0.00 46.02 44.78 1tfx n GLY 140 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1tfx n TRP 141 N -0.40 2.82 -1.84 1.61 8.01 -1.26 -2.39 117.44 124.00 1tfx n TRP 141 Ca 0.00 -1.71 -0.27 0.00 -1.31 0.00 0.00 57.50 54.21 1tfx n TRP 141 Cb 0.00 -0.88 0.19 0.00 -2.01 0.00 0.00 31.31 28.60 1tfx n TRP 141 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1tfx n GLY 142 N -0.97 -1.47 3.76 6.99 0.00 -1.26 -4.56 105.19 107.68 1tfx n GLY 142 Ca 0.55 -1.71 -0.41 0.00 0.00 0.00 0.00 46.02 44.45 1tfx n GLY 142 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1tfx n ASN 143 N -3.78 3.62 -0.00 1.61 5.15 0.54 -2.79 115.26 119.60 1tfx n ASN 143 Ca 0.15 1.22 0.09 0.00 -0.60 0.00 0.00 54.58 55.45 1tfx n ASN 143 Cb 0.53 -1.60 -0.11 0.00 -0.53 0.00 0.00 39.78 38.06 1tfx n ASN 143 CO 0.00 0.00 0.00 0.35 1.40 0.00 0.00 177.26 179.01 1tfx n THR 144 N 0.44 0.00 -3.85 -0.44 -2.24 -0.37 -1.55 114.28 106.27 1tfx n THR 144 Ca 0.02 -0.06 -0.36 0.00 -2.27 0.00 0.00 64.05 61.39 1tfx n THR 144 Cb 0.38 0.95 -0.10 0.00 -2.10 0.00 0.00 70.33 69.46 1tfx n THR 144 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1tfx s LYS 145 N -2.89 3.95 0.40 -0.78 1.02 -1.26 -4.19 119.74 115.99 1tfx s LYS 145 Ca 0.07 -0.34 0.21 0.00 0.02 0.00 0.00 55.97 55.93 1tfx s LYS 145 Cb 0.15 -3.35 0.40 0.00 -0.52 0.00 0.00 37.83 34.51 1tfx s LYS 145 CO 0.81 0.12 1.61 0.66 -0.92 0.00 0.00 175.35 177.63 1tfx h SER 146 N 7.24 0.00 0.00 2.83 4.64 -1.92 -3.39 113.55 122.94 1tfx h SER 146 Ca -0.37 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.95 1tfx h SER 146 Cb 1.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.26 1tfx h SER 146 CO 0.67 0.19 -0.42 -0.24 -0.87 0.00 0.00 176.83 176.15 1tfx n SER 147 N -3.17 1.22 -1.79 4.97 2.88 -1.26 -4.69 113.62 111.77 1tfx n SER 147 Ca 0.03 0.19 0.00 0.00 -1.33 0.00 0.00 58.87 57.76 1tfx n SER 147 Cb 0.57 -0.49 0.00 0.00 -0.75 0.00 0.00 64.21 63.53 1tfx n SER 147 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1tfx n GLY 148 N 2.40 1.21 3.07 0.46 0.00 -1.26 -5.11 105.19 105.96 1tfx n GLY 148 Ca -0.06 -1.67 -0.21 0.00 0.00 0.00 0.00 46.02 44.08 1tfx n GLY 148 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1tfx s SER 149 N -1.00 1.41 -0.30 1.61 0.01 -1.26 -4.59 113.70 109.58 1tfx s SER 149 Ca 0.00 -0.22 -0.13 0.00 1.31 0.00 0.00 55.95 56.91 1tfx s SER 149 Cb 0.00 -0.16 0.15 0.00 0.21 0.00 0.00 66.02 66.21 1tfx s SER 149 CO 0.00 0.15 0.85 -0.55 0.41 0.00 0.00 173.24 174.10 1tfx s SER 150 N -0.27 -0.80 -0.21 2.44 0.15 -1.26 -4.91 113.70 108.84 1tfx s SER 150 Ca 0.04 1.12 -0.03 0.00 0.70 0.00 0.00 55.95 57.78 1tfx s SER 150 Cb -0.05 1.87 -0.00 0.00 -1.71 0.00 0.00 66.02 66.13 1tfx s SER 150 CO -0.00 -0.16 -0.08 -0.31 1.20 0.00 0.00 173.24 173.89 1tfx s TYR 151 N 2.54 2.92 0.45 3.44 1.51 -1.26 -1.24 117.35 125.70 1tfx s TYR 151 Ca -0.04 -1.07 -0.23 0.00 -1.01 0.00 0.00 57.07 54.72 1tfx s TYR 151 Cb -0.08 -2.06 -0.08 0.00 -0.11 0.00 0.00 41.96 39.63 1tfx s TYR 151 CO -0.18 -0.59 1.10 -1.25 -1.11 0.00 0.00 175.55 173.52 1tfx s PRO 152 N 1.41 3.88 0.04 -1.71 0.04 -1.26 -4.95 135.00 132.44 1tfx s PRO 152 Ca 0.05 1.61 0.14 0.00 0.04 0.00 0.00 61.00 62.83 1tfx s PRO 152 Cb -0.14 -2.38 -0.17 0.00 0.04 0.00 0.00 34.50 31.85 1tfx s PRO 152 CO -0.05 -0.41 0.86 0.77 0.04 0.00 0.00 177.00 178.20 1tfx h SER 153 N 2.07 0.00 -2.95 6.66 0.02 -1.93 -3.47 113.55 113.95 1tfx h SER 153 Ca -0.49 0.00 -0.62 0.00 -0.84 0.00 0.00 61.79 59.84 1tfx h SER 153 Cb 1.23 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 63.72 1tfx h SER 153 CO 0.60 0.81 -0.38 -0.76 -1.14 0.00 0.00 176.83 175.96 1tfx s LEU 154 N -6.08 4.35 0.18 5.07 1.43 -1.26 -1.83 118.68 120.55 1tfx s LEU 154 Ca -0.03 0.54 -0.32 0.00 -1.03 0.00 0.00 54.13 53.29 1tfx s LEU 154 Cb 0.08 -2.80 -0.11 0.00 0.03 0.00 0.00 46.19 43.39 1tfx s LEU 154 CO 0.81 0.21 1.73 -0.22 0.23 0.00 0.00 176.35 179.12 1tfx s LEU 155 N -1.97 4.38 0.13 1.79 2.96 -1.00 -4.84 118.68 120.12 1tfx s LEU 155 Ca 0.30 2.82 0.04 0.00 -0.22 0.00 0.00 54.13 57.07 1tfx s LEU 155 Cb -0.13 -3.59 -0.04 0.00 0.50 0.00 0.00 46.19 42.93 1tfx s LEU 155 CO 0.19 -0.97 0.13 -1.10 -1.32 0.00 0.00 176.35 173.28 1tfx s GLN 156 N 1.56 2.97 0.12 1.98 -1.52 -1.00 -1.51 119.66 122.24 1tfx s GLN 156 Ca 0.76 -0.77 0.06 0.00 -1.95 0.00 0.00 55.36 53.47 1tfx s GLN 156 Cb -0.48 -2.72 -0.04 0.00 -0.22 0.00 0.00 33.01 29.55 1tfx s GLN 156 CO 0.33 0.52 -0.15 0.00 -0.25 0.00 0.00 175.29 175.74 1tfx s LEU 158 N -2.29 0.19 -0.24 0.00 2.96 -0.33 -1.59 118.68 117.38 1tfx s LEU 158 Ca 0.08 0.88 -0.07 0.00 -0.22 0.00 0.00 54.13 54.79 1tfx s LEU 158 Cb -0.06 1.44 -0.03 0.00 0.50 0.00 0.00 46.19 48.03 1tfx s LEU 158 CO 0.03 -0.16 0.07 -0.54 -1.32 0.00 0.00 176.35 174.43 1tfx s LYS 159 N 0.64 3.73 -0.02 1.98 1.02 -1.26 -0.58 119.74 125.25 1tfx s LYS 159 Ca -0.03 -0.45 -0.07 0.00 0.02 0.00 0.00 55.97 55.44 1tfx s LYS 159 Cb -0.05 -3.32 0.01 0.00 -0.52 0.00 0.00 37.83 33.95 1tfx s LYS 159 CO -0.04 -0.10 0.15 0.00 -0.92 0.00 0.00 175.35 174.44 1tfx s ALA 160 N 1.38 -0.35 0.17 5.17 0.00 -0.75 -4.97 121.76 122.41 1tfx s ALA 160 Ca 0.05 0.04 -0.04 0.00 0.00 0.00 0.00 51.96 52.01 1tfx s ALA 160 Cb -0.15 0.00 -0.05 0.00 0.00 0.00 0.00 23.12 22.92 1tfx s ALA 160 CO 0.04 -0.17 0.40 -1.25 0.00 0.00 0.00 175.76 174.77 1tfx s PRO 161 N -0.97 3.61 0.08 0.00 0.04 -1.26 -0.69 135.00 135.81 1tfx s PRO 161 Ca -0.11 -0.11 -0.31 0.00 0.04 0.00 0.00 61.00 60.51 1tfx s PRO 161 Cb -0.06 -2.82 -0.07 0.00 0.04 0.00 0.00 34.50 31.59 1tfx s PRO 161 CO 0.01 0.43 1.32 0.08 0.04 0.00 0.00 177.00 178.88 1tfx s VAL 162 N -1.74 3.61 0.71 -0.36 1.01 -0.37 -2.40 120.40 120.86 1tfx s VAL 162 Ca 0.41 1.14 -0.07 0.00 0.00 0.00 0.00 61.98 63.46 1tfx s VAL 162 Cb -0.12 -3.73 0.06 0.00 0.00 0.00 0.00 36.38 32.59 1tfx s VAL 162 CO 0.26 0.08 1.03 -0.76 0.00 0.00 0.00 175.10 175.70 1tfx s LEU 163 N 1.24 2.81 0.38 3.92 1.43 0.89 -0.07 118.68 129.28 1tfx s LEU 163 Ca 0.62 0.51 -0.13 0.00 -1.03 0.00 0.00 54.13 54.10 1tfx s LEU 163 Cb -0.34 -3.16 -0.08 0.00 0.03 0.00 0.00 46.19 42.65 1tfx s LEU 163 CO 0.29 -1.60 0.78 -0.94 0.23 0.00 0.00 176.35 175.12 1tfx s SER 164 N -4.51 6.66 0.41 2.29 1.04 -1.26 -4.55 113.70 113.78 1tfx s SER 164 Ca 0.60 1.26 0.12 0.00 0.48 0.00 0.00 55.95 58.40 1tfx s SER 164 Cb -0.11 -2.37 0.95 0.00 0.10 0.00 0.00 66.02 64.59 1tfx s SER 164 CO 0.45 -0.33 1.96 -0.78 0.98 0.00 0.00 173.24 175.53 1tfx h ASP 165 N 1.71 0.46 0.63 7.02 3.58 -1.97 -1.49 116.42 126.36 1tfx h ASP 165 Ca -0.48 0.01 -0.02 0.00 0.42 0.00 0.00 57.03 56.96 1tfx h ASP 165 Cb 1.18 -0.09 -0.01 0.00 1.72 0.00 0.00 39.33 42.13 1tfx h ASP 165 CO 0.64 0.28 -0.49 -1.28 -2.88 0.00 0.00 179.24 175.51 1tfx h SER 166 N 0.51 -1.30 -0.78 2.28 0.87 -1.98 0.62 113.55 113.77 1tfx h SER 166 Ca 0.31 0.09 0.03 0.00 -1.23 0.00 0.00 61.79 60.99 1tfx h SER 166 Cb 0.52 0.41 -0.05 0.00 -0.44 0.00 0.00 62.40 62.84 1tfx h SER 166 CO -0.10 -0.70 0.50 0.77 -0.53 0.00 0.00 176.83 176.77 1tfx h SER 167 N -1.09 0.84 0.08 6.23 4.64 -1.83 -0.68 113.55 121.73 1tfx h SER 167 Ca -0.08 -0.01 0.01 0.00 -0.47 0.00 0.00 61.79 61.24 1tfx h SER 167 Cb 0.90 -0.19 -0.02 0.00 -0.31 0.00 0.00 62.40 62.79 1tfx h SER 167 CO 0.02 0.58 -0.11 0.00 -0.87 0.00 0.00 176.83 176.45 1tfx h LYS 169 N -0.23 0.00 0.01 0.00 1.57 -0.55 -0.33 116.57 117.03 1tfx h LYS 169 Ca 0.02 0.00 -0.19 0.00 -1.87 0.00 0.00 60.65 58.60 1tfx h LYS 169 Cb 0.25 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.53 1tfx h LYS 169 CO -0.06 0.26 -0.92 0.66 -0.57 0.00 0.00 179.45 178.82 1tfx h SER 170 N 0.00 0.05 -0.39 0.86 4.64 -0.76 -2.63 113.55 115.32 1tfx h SER 170 Ca -0.00 -0.05 -0.13 0.00 -0.47 0.00 0.00 61.79 61.14 1tfx h SER 170 Cb 0.49 -0.02 -0.01 0.00 -0.31 0.00 0.00 62.40 62.55 1tfx h SER 170 CO 0.03 0.94 -0.25 0.28 -0.87 0.00 0.00 176.83 176.96 1tfx h SER 171 N 0.02 0.94 -2.65 4.97 0.02 -0.06 -3.36 113.55 113.42 1tfx h SER 171 Ca -0.02 -0.36 -0.60 0.00 -0.84 0.00 0.00 61.79 59.97 1tfx h SER 171 Cb 1.61 -0.26 -0.40 0.00 0.14 0.00 0.00 62.40 63.48 1tfx h SER 171 CO 0.12 1.13 -0.76 -1.22 -1.14 0.00 0.00 176.83 174.96 1tfx n TYR 172 N -4.10 1.48 -1.73 3.45 4.01 -0.21 -4.94 117.16 115.12 1tfx n TYR 172 Ca -0.00 -3.87 -0.42 0.00 -0.16 0.00 0.00 57.90 53.45 1tfx n TYR 172 Cb 0.47 -0.27 -0.02 0.00 -0.31 0.00 0.00 39.34 39.20 1tfx n TYR 172 CO 0.00 0.00 0.00 -2.30 -0.46 0.00 0.00 176.86 174.10 1tfx n PRO 173 N 2.13 2.74 -0.65 -0.72 -0.02 -0.99 -2.04 135.00 135.46 1tfx n PRO 173 Ca 0.25 0.98 0.00 0.00 -2.02 0.00 0.00 63.50 62.71 1tfx n PRO 173 Cb 0.42 -2.80 0.00 0.00 -0.02 0.00 0.00 33.50 31.09 1tfx n PRO 173 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1tfx n GLY 174 N 3.25 0.87 0.29 -1.23 0.00 -1.26 -4.84 105.19 102.27 1tfx n GLY 174 Ca 0.13 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.18 1tfx n GLY 174 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1tfx n GLN 175 N -2.00 0.41 -3.78 1.61 6.02 -0.86 -4.97 117.38 113.80 1tfx n GLN 175 Ca 0.00 -1.05 -0.36 0.00 -0.01 0.00 0.00 57.00 55.58 1tfx n GLN 175 Cb 0.00 -1.13 -0.13 0.00 1.02 0.00 0.00 30.24 30.00 1tfx n GLN 175 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1tfx s ILE 176 N -0.63 4.08 0.77 5.09 -1.09 -1.24 -5.05 121.20 123.13 1tfx s ILE 176 Ca 0.09 -0.32 -0.03 0.00 -2.23 0.00 0.00 60.65 58.15 1tfx s ILE 176 Cb 0.06 -2.94 0.14 0.00 -1.58 0.00 0.00 42.46 38.15 1tfx s ILE 176 CO 0.09 0.31 1.06 0.42 -1.23 0.00 0.00 174.94 175.58 1tfx s THR 177 N 1.57 2.09 -2.05 2.92 -4.23 -1.26 -4.96 115.64 109.72 1tfx s THR 177 Ca 0.06 -0.50 0.31 0.00 -1.18 0.00 0.00 61.69 60.37 1tfx s THR 177 Cb -0.15 -2.59 0.86 0.00 1.34 0.00 0.00 72.50 71.96 1tfx s THR 177 CO 0.02 0.00 2.16 0.61 -0.54 0.00 0.00 174.62 176.87 1tfx n GLY 178 N -3.00 -0.91 1.40 3.99 0.00 -1.26 -2.95 105.19 102.46 1tfx n GLY 178 Ca 0.15 -0.22 0.08 0.00 0.00 0.00 0.00 46.02 46.04 1tfx n GLY 178 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1tfx n ASN 179 N -0.88 4.75 -4.09 1.61 3.02 -1.26 -4.95 115.26 113.46 1tfx n ASN 179 Ca 0.23 -2.84 -0.15 0.00 -0.03 0.00 0.00 54.58 51.79 1tfx n ASN 179 Cb 0.13 -0.59 -0.12 0.00 -0.61 0.00 0.00 39.78 38.59 1tfx n ASN 179 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 1tfx s MET 180 N -2.56 0.61 0.00 3.52 -1.94 -1.15 -1.05 119.30 116.73 1tfx s MET 180 Ca 0.48 -0.79 0.00 0.00 -1.71 0.00 0.00 55.69 53.67 1tfx s MET 180 Cb 0.36 -0.45 -0.00 0.00 2.01 0.00 0.00 34.83 36.75 1tfx s MET 180 CO 0.15 0.09 -0.02 0.96 -0.01 0.00 0.00 175.02 176.19 1tfx s ILE 181 N -1.30 0.12 -0.10 2.53 -4.36 -0.60 -4.84 121.20 112.66 1tfx s ILE 181 Ca -0.07 -0.16 -0.17 0.00 -0.26 0.00 0.00 60.65 59.99 1tfx s ILE 181 Cb -0.10 -0.13 -0.04 0.00 1.25 0.00 0.00 42.46 43.44 1tfx s ILE 181 CO 0.01 -0.02 0.46 0.00 0.24 0.00 0.00 174.94 175.62 1tfx s VAL 183 N 0.35 1.32 -5.00 0.00 1.01 -0.51 -0.07 120.40 117.48 1tfx s VAL 183 Ca 0.25 -0.64 0.00 0.00 0.00 0.00 0.00 61.98 61.59 1tfx s VAL 183 Cb -0.15 -1.14 0.00 0.00 0.00 0.00 0.00 36.38 35.08 1tfx s VAL 183 CO 0.10 0.39 0.00 0.61 0.00 0.00 0.00 175.10 176.20 1tfx n GLY 184 N 3.27 0.36 2.71 4.51 0.00 -1.01 -2.60 105.19 112.45 1tfx n GLY 184 Ca -0.19 -1.40 -0.21 0.00 0.00 0.00 0.00 46.02 44.22 1tfx n GLY 184 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1tfx s PHE 184 N -3.76 0.33 0.41 1.61 0.08 -1.26 -4.34 117.98 111.05 1tfx s PHE 184 Ca 0.00 0.07 0.38 0.00 0.12 0.00 0.00 56.93 57.50 1tfx s PHE 184 Cb 0.00 -0.62 2.06 0.00 -0.57 0.00 0.00 43.02 43.89 1tfx s PHE 184 CO 0.00 -0.25 2.17 -0.07 -0.10 0.00 0.00 175.22 176.97 1tfx h LEU 185 N 8.39 0.00 -0.68 -0.37 3.38 -1.96 0.12 115.31 124.19 1tfx h LEU 185 Ca -0.15 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.82 1tfx h LEU 185 Cb 1.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.87 1tfx h LEU 185 CO 0.20 0.00 0.00 -1.84 0.09 0.00 0.00 178.44 176.89 1tfx n GLU 186 N -2.86 1.45 0.00 1.13 0.00 -1.26 -0.10 120.64 119.01 1tfx n GLU 186 Ca -0.02 -0.67 0.00 0.00 0.00 0.00 0.00 57.16 56.46 1tfx n GLU 186 Cb 0.07 -1.41 0.00 0.00 0.00 0.00 0.00 31.44 30.10 1tfx n GLU 186 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1tfx n GLY 187 N 1.05 0.01 1.97 -1.84 0.00 0.41 -4.73 105.19 102.06 1tfx n GLY 187 Ca 0.18 -0.97 0.00 0.00 0.00 0.00 0.00 46.02 45.23 1tfx n GLY 187 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1tfx n GLY 188 N 0.00 2.51 3.13 -0.02 0.00 -0.48 -4.89 105.19 105.44 1tfx n GLY 188 Ca 0.00 -0.16 -0.22 0.00 0.00 0.00 0.00 46.02 45.64 1tfx n GLY 188 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1tfx s LYS 188 N 0.00 1.14 0.00 1.61 1.02 -1.26 -3.61 119.74 118.63 1tfx s LYS 188 Ca 0.00 -0.58 0.00 0.00 0.02 0.00 0.00 55.97 55.41 1tfx s LYS 188 Cb 0.00 -1.12 0.00 0.00 -0.52 0.00 0.00 37.83 36.19 1tfx s LYS 188 CO 0.00 0.30 0.00 -3.47 -0.92 0.00 0.00 175.35 171.26 1tfx n ASP 189 N 2.52 0.00 -4.97 2.83 2.03 -0.89 -4.52 116.55 113.55 1tfx n ASP 189 Ca -0.15 0.00 -0.21 0.00 0.52 0.00 0.00 54.79 54.95 1tfx n ASP 189 Cb 0.55 0.00 0.02 0.00 -0.72 0.00 0.00 41.12 40.97 1tfx n ASP 189 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 1tfx s SER 190 N 0.00 5.63 0.36 1.67 1.04 -1.26 0.12 113.70 121.25 1tfx s SER 190 Ca 0.00 0.01 -0.08 0.00 0.48 0.00 0.00 55.95 56.36 1tfx s SER 190 Cb 0.00 -1.13 0.02 0.00 0.10 0.00 0.00 66.02 65.01 1tfx s SER 190 CO 0.00 -0.83 0.60 0.00 0.98 0.00 0.00 173.24 173.99 1tfx n GLN 192 N -0.54 0.86 0.00 0.00 3.00 -1.26 -1.60 117.38 117.83 1tfx n GLN 192 Ca -0.03 0.31 0.00 0.00 -0.01 0.00 0.00 57.00 57.27 1tfx n GLN 192 Cb 0.61 -1.93 0.00 0.00 0.00 0.00 0.00 30.24 28.92 1tfx n GLN 192 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1tfx n GLY 193 N 3.10 1.79 0.09 1.08 0.00 -1.26 -0.34 105.19 109.64 1tfx n GLY 193 Ca 0.23 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.36 1tfx n GLY 193 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1tfx n ASP 194 N 0.00 0.70 -4.36 1.61 8.00 -0.63 -4.05 116.55 117.82 1tfx n ASP 194 Ca 0.00 0.21 -0.46 0.00 0.71 0.00 0.00 54.79 55.25 1tfx n ASP 194 Cb 0.00 0.66 -0.02 0.00 -0.02 0.00 0.00 41.12 41.74 1tfx n ASP 194 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1tfx n SER 195 N -2.49 -1.82 0.00 -2.24 7.64 -1.26 -0.62 113.62 112.82 1tfx n SER 195 Ca -0.00 1.02 0.00 0.00 1.01 0.00 0.00 58.87 60.90 1tfx n SER 195 Cb 0.53 -0.93 0.00 0.00 -1.01 0.00 0.00 64.21 62.80 1tfx n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1tfx n GLY 196 N 2.12 2.88 3.65 0.23 0.00 -0.67 -0.00 105.19 113.39 1tfx n GLY 196 Ca 0.16 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.87 1tfx n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1tfx s GLY 197 N -1.65 1.64 0.12 -0.02 0.00 0.20 -3.34 107.32 104.27 1tfx s GLY 197 Ca 0.00 0.27 -0.20 0.00 0.00 0.00 0.00 44.72 44.79 1tfx s GLY 197 CO 0.00 0.76 0.63 2.56 0.00 0.00 0.00 173.10 177.05 1tfx s PRO 198 N -4.70 4.25 -0.28 2.90 0.05 -1.26 -1.69 135.00 134.27 1tfx s PRO 198 Ca 0.66 0.81 0.01 0.00 0.05 0.00 0.00 61.00 62.52 1tfx s PRO 198 Cb -0.22 -3.15 0.08 0.00 0.05 0.00 0.00 34.50 31.26 1tfx s PRO 198 CO 0.59 0.57 0.02 0.08 0.05 0.00 0.00 177.00 178.31 1tfx s VAL 199 N -1.22 1.48 -0.16 -0.36 1.01 -0.85 -2.96 120.40 117.33 1tfx s VAL 199 Ca 0.33 -1.54 -0.02 0.00 0.00 0.00 0.00 61.98 60.75 1tfx s VAL 199 Cb -0.19 -1.96 -0.02 0.00 0.00 0.00 0.00 36.38 34.21 1tfx s VAL 199 CO 0.21 -0.41 -0.07 -0.69 0.00 0.00 0.00 175.10 174.13 1tfx s VAL 200 N 1.35 3.45 -0.06 2.92 1.01 -0.17 -1.25 120.40 127.65 1tfx s VAL 200 Ca 0.04 -0.50 0.02 0.00 0.00 0.00 0.00 61.98 61.53 1tfx s VAL 200 Cb -0.18 -2.51 0.02 0.00 0.00 0.00 0.00 36.38 33.71 1tfx s VAL 200 CO -0.13 0.49 -0.09 0.00 0.00 0.00 0.00 175.10 175.37 1tfx n ASN 202 N 3.99 -2.98 0.00 0.00 4.13 -1.26 -1.67 115.26 117.46 1tfx n ASN 202 Ca -0.23 -0.82 0.00 0.00 1.68 0.00 0.00 54.58 55.22 1tfx n ASN 202 Cb 0.51 -3.88 0.00 0.00 -1.54 0.00 0.00 39.78 34.88 1tfx n ASN 202 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1tfx n GLY 203 N -1.66 0.26 3.40 7.41 0.00 -1.26 -4.99 105.19 108.35 1tfx n GLY 203 Ca -0.12 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.59 1tfx n GLY 203 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1tfx s GLN 204 N -1.01 1.97 -0.41 1.61 -0.21 -0.67 -4.01 119.66 116.93 1tfx s GLN 204 Ca 0.00 -1.03 -0.29 0.00 0.02 0.00 0.00 55.36 54.06 1tfx s GLN 204 Cb 0.00 -2.10 0.02 0.00 1.00 0.00 0.00 33.01 31.93 1tfx s GLN 204 CO 0.00 0.53 1.14 -1.17 -2.12 0.00 0.00 175.29 173.67 1tfx s LEU 209 N -1.30 3.76 -0.05 2.90 2.96 0.74 -1.60 118.68 126.08 1tfx s LEU 209 Ca 0.13 0.74 0.11 0.00 -0.22 0.00 0.00 54.13 54.89 1tfx s LEU 209 Cb -0.10 -3.55 -0.16 0.00 0.50 0.00 0.00 46.19 42.88 1tfx s LEU 209 CO 0.03 -1.12 0.18 0.00 -1.32 0.00 0.00 176.35 174.13 1tfx n GLN 210 N 7.47 1.02 -4.00 1.98 1.13 -0.38 -4.07 117.38 120.53 1tfx n GLN 210 Ca 0.12 -0.07 -0.08 0.00 -1.94 0.00 0.00 57.00 55.03 1tfx n GLN 210 Cb 0.48 -1.27 -0.09 0.00 0.11 0.00 0.00 30.24 29.46 1tfx n GLN 210 CO 0.00 0.00 0.00 0.20 -1.44 0.00 0.00 177.06 175.82 1tfx s GLY 211 N -3.68 0.31 -0.12 1.08 0.00 -1.00 -1.75 107.32 102.17 1tfx s GLY 211 Ca -0.05 -0.93 0.01 0.00 0.00 0.00 0.00 44.72 43.76 1tfx s GLY 211 CO 0.47 -1.06 -0.15 -0.42 0.00 0.00 0.00 173.10 171.93 1tfx s ILE 212 N -3.62 1.52 -0.09 0.90 1.01 -1.17 -2.02 121.20 117.74 1tfx s ILE 212 Ca 0.04 -0.65 -0.32 0.00 0.00 0.00 0.00 60.65 59.72 1tfx s ILE 212 Cb 0.05 -1.40 -0.10 0.00 0.01 0.00 0.00 42.46 41.02 1tfx s ILE 212 CO -0.09 0.45 1.98 0.52 0.00 0.00 0.00 174.94 177.80 1tfx n VAL 213 N 4.32 0.58 0.00 2.92 0.31 -0.68 -2.04 118.33 123.73 1tfx n VAL 213 Ca -0.19 -0.18 0.00 0.00 -0.01 0.00 0.00 64.34 63.97 1tfx n VAL 213 Cb 0.51 -2.08 0.00 0.00 -0.91 0.00 0.00 33.84 31.35 1tfx n VAL 213 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1tfx n SER 214 N 7.84 0.00 -3.16 4.52 2.88 -1.14 -1.67 113.62 122.89 1tfx n SER 214 Ca 0.24 0.00 -0.15 0.00 -1.33 0.00 0.00 58.87 57.64 1tfx n SER 214 Cb 0.34 -0.07 -0.03 0.00 -0.75 0.00 0.00 64.21 63.70 1tfx n SER 214 CO 0.00 0.00 0.00 -1.66 -1.23 0.00 0.00 175.04 172.15 1tfx s TRP 215 N -0.54 1.04 0.00 0.66 1.48 -1.02 -4.92 118.94 115.64 1tfx s TRP 215 Ca 0.00 -1.29 0.00 0.00 -1.06 0.00 0.00 56.10 53.75 1tfx s TRP 215 Cb 0.00 -0.03 0.00 0.00 -1.16 0.00 0.00 33.47 32.28 1tfx s TRP 215 CO 0.00 -1.18 0.00 0.41 -4.06 0.00 0.00 176.95 172.12 1tfx n GLY 216 N -0.58 1.82 3.57 3.67 0.00 -1.26 -1.18 105.19 111.22 1tfx n GLY 216 Ca 0.00 -0.43 -0.42 0.00 0.00 0.00 0.00 46.02 45.18 1tfx n GLY 216 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1tfx s TYR 217 N -2.00 2.45 0.00 1.61 1.51 -1.26 -4.82 117.35 114.83 1tfx s TYR 217 Ca 0.00 0.26 0.00 0.00 -1.01 0.00 0.00 57.07 56.32 1tfx s TYR 217 Cb 0.00 -4.54 0.00 0.00 -0.11 0.00 0.00 41.96 37.31 1tfx s TYR 217 CO 0.00 -1.81 0.00 0.41 -1.11 0.00 0.00 175.55 173.04 1tfx n GLY 219 N 5.20 -0.09 2.79 0.71 0.00 -1.26 -4.68 105.19 107.86 1tfx n GLY 219 Ca 0.07 -0.99 -0.15 0.00 0.00 0.00 0.00 46.02 44.95 1tfx n GLY 219 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1tfx n ALA 221 N 4.18 -0.26 -1.76 0.00 0.00 -1.26 -4.68 120.51 116.72 1tfx n ALA 221 Ca -0.28 0.28 -0.33 0.00 0.00 0.00 0.00 53.44 53.11 1tfx n ALA 221 Cb 0.50 -1.76 -0.02 0.00 0.00 0.00 0.00 19.45 18.17 1tfx n ALA 221 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1tfx s GLN 221 N -3.44 3.68 0.24 0.00 -1.52 -1.26 -1.39 119.66 115.96 1tfx s GLN 221 Ca 0.00 1.25 -0.30 0.00 -1.95 0.00 0.00 55.36 54.36 1tfx s GLN 221 Cb 0.00 -2.08 -0.10 0.00 -0.22 0.00 0.00 33.01 30.61 1tfx s GLN 221 CO 0.00 -0.52 1.46 0.21 -0.25 0.00 0.00 175.29 176.19 1tfx s LYS 222 N -3.60 4.26 -0.02 2.91 2.20 -1.26 -2.63 119.74 121.60 1tfx s LYS 222 Ca 0.65 2.31 0.00 0.00 -0.36 0.00 0.00 55.97 58.57 1tfx s LYS 222 Cb -0.15 -3.11 0.00 0.00 -1.51 0.00 0.00 37.83 33.05 1tfx s LYS 222 CO 0.26 -0.45 0.00 0.09 -0.36 0.00 0.00 175.35 174.89 1tfx n ASN 223 N 2.54 -5.48 -3.44 1.43 4.13 0.86 -4.89 115.26 110.41 1tfx n ASN 223 Ca 0.08 0.00 -0.27 0.00 1.68 0.00 0.00 54.58 56.08 1tfx n ASN 223 Cb 0.40 -2.99 -0.08 0.00 -1.54 0.00 0.00 39.78 35.56 1tfx n ASN 223 CO 0.00 0.00 0.00 0.29 0.28 0.00 0.00 177.26 177.83 1tfx n LYS 224 N 0.28 2.02 -1.06 3.52 4.76 -1.08 -4.72 118.16 121.88 1tfx n LYS 224 Ca -0.00 -4.33 -0.29 0.00 -2.87 0.00 0.00 58.31 50.82 1tfx n LYS 224 Cb 0.42 -2.05 0.21 0.00 -1.84 0.00 0.00 35.03 31.77 1tfx n LYS 224 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 1tfx s PRO 225 N -2.02 -0.51 0.04 1.97 0.04 -1.26 -4.32 135.00 128.94 1tfx s PRO 225 Ca 0.37 0.28 -0.22 0.00 0.04 0.00 0.00 61.00 61.46 1tfx s PRO 225 Cb 0.12 -1.65 -0.06 0.00 0.04 0.00 0.00 34.50 32.96 1tfx s PRO 225 CO -0.06 -3.31 0.67 0.20 0.04 0.00 0.00 177.00 174.54 1tfx s GLY 226 N -3.55 2.72 -0.17 0.56 0.00 -1.07 -4.66 107.32 101.15 1tfx s GLY 226 Ca 0.68 0.15 -0.13 0.00 0.00 0.00 0.00 44.72 45.43 1tfx s GLY 226 CO 0.58 0.84 0.24 0.14 0.00 0.00 0.00 173.10 174.89 1tfx s VAL 227 N -0.39 5.34 0.12 1.40 1.01 -0.32 -1.43 120.40 126.12 1tfx s VAL 227 Ca 0.34 0.43 0.09 0.00 0.00 0.00 0.00 61.98 62.84 1tfx s VAL 227 Cb -0.20 -3.58 -0.04 0.00 0.00 0.00 0.00 36.38 32.57 1tfx s VAL 227 CO 0.20 0.41 -0.21 -0.31 0.00 0.00 0.00 175.10 175.19 1tfx s TYR 228 N 0.40 1.89 0.09 5.22 1.51 0.16 -2.44 117.35 124.18 1tfx s TYR 228 Ca 0.14 -0.42 -0.31 0.00 -1.01 0.00 0.00 57.07 55.47 1tfx s TYR 228 Cb -0.12 -1.01 -0.08 0.00 -0.11 0.00 0.00 41.96 40.63 1tfx s TYR 228 CO 0.02 0.26 1.50 0.99 -1.11 0.00 0.00 175.55 177.21 1tfx s THR 229 N -1.32 3.17 -0.77 -0.71 2.01 -0.87 -1.55 115.64 115.60 1tfx s THR 229 Ca 0.10 0.74 -0.26 0.00 0.31 0.00 0.00 61.69 62.58 1tfx s THR 229 Cb -0.09 -3.48 0.01 0.00 0.01 0.00 0.00 72.50 68.95 1tfx s THR 229 CO 0.05 0.03 1.52 -0.75 -0.69 0.00 0.00 174.62 174.78 1tfx s LYS 230 N 1.80 3.06 0.54 4.92 2.20 -0.22 -3.04 119.74 129.00 1tfx s LYS 230 Ca 0.68 -0.19 0.21 0.00 -0.36 0.00 0.00 55.97 56.32 1tfx s LYS 230 Cb -0.38 -4.53 1.43 0.00 -1.51 0.00 0.00 37.83 32.84 1tfx s LYS 230 CO 0.30 -2.43 2.14 0.28 -0.36 0.00 0.00 175.35 175.28 1tfx h VAL 231 N 6.51 0.81 0.00 4.02 2.07 -1.65 -2.34 116.25 125.67 1tfx h VAL 231 Ca -0.15 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.37 1tfx h VAL 231 Cb 1.07 0.94 0.00 0.00 -1.52 0.00 0.00 31.29 31.78 1tfx h VAL 231 CO 1.28 0.00 0.00 0.00 0.02 0.00 0.00 177.57 178.87 1tfx n ASN 233 N -2.26 0.68 -0.03 0.00 4.13 -0.88 -3.94 115.26 112.96 1tfx n ASN 233 Ca 0.02 -1.45 0.00 0.00 1.68 0.00 0.00 54.58 54.83 1tfx n ASN 233 Cb 0.20 -0.03 0.00 0.00 -1.54 0.00 0.00 39.78 38.41 1tfx n ASN 233 CO 0.00 0.00 0.00 -1.22 0.28 0.00 0.00 177.26 176.32 1tfx n TYR 234 N -0.37 0.00 -0.19 3.10 4.01 -0.71 -4.87 117.16 118.13 1tfx n TYR 234 Ca 0.17 -0.20 -0.02 0.00 -0.16 0.00 0.00 57.90 57.69 1tfx n TYR 234 Cb 0.19 -0.03 0.09 0.00 -0.31 0.00 0.00 39.34 39.28 1tfx n TYR 234 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 1tfx h VAL 235 N 2.11 0.83 -0.41 -0.72 2.07 -1.68 -0.55 116.25 117.89 1tfx h VAL 235 Ca 0.00 -0.15 -0.01 0.00 0.82 0.00 0.00 66.70 67.37 1tfx h VAL 235 Cb 0.85 0.37 -0.02 0.00 -1.52 0.00 0.00 31.29 30.97 1tfx h VAL 235 CO 0.00 0.08 0.23 -1.13 0.02 0.00 0.00 177.57 176.77 1tfx h ASN 236 N 0.42 0.51 -0.52 0.57 -1.24 -1.90 -0.31 115.58 113.13 1tfx h ASN 236 Ca 0.27 -0.08 -0.01 0.00 0.71 0.00 0.00 56.30 57.19 1tfx h ASN 236 Cb 0.29 -0.13 -0.02 0.00 0.73 0.00 0.00 38.32 39.19 1tfx h ASN 236 CO -0.26 0.45 0.28 -0.25 -1.29 0.00 0.00 177.43 176.36 1tfx h TRP 237 N 0.54 0.71 -0.05 0.67 7.01 -1.79 -1.23 115.95 121.81 1tfx h TRP 237 Ca 0.15 -0.02 -0.00 0.00 2.11 0.00 0.00 58.89 61.13 1tfx h TRP 237 Cb 0.05 -0.23 -0.00 0.00 -2.10 0.00 0.00 29.16 26.88 1tfx h TRP 237 CO -0.02 0.53 0.03 0.82 -2.79 0.00 0.00 178.44 177.00 1tfx h ILE 238 N 0.69 1.09 -0.14 2.65 2.04 -0.87 -0.41 117.51 122.56 1tfx h ILE 238 Ca 0.18 -0.27 0.00 0.00 1.00 0.00 0.00 64.86 65.78 1tfx h ILE 238 Cb 0.05 1.18 -0.01 0.00 -0.74 0.00 0.00 36.82 37.31 1tfx h ILE 238 CO -0.03 0.08 0.09 1.56 0.00 0.00 0.00 178.15 179.84 1tfx h GLN 239 N -0.02 0.17 0.15 2.37 4.20 -0.90 -1.19 115.11 119.89 1tfx h GLN 239 Ca 0.02 -0.01 -0.01 0.00 0.06 0.00 0.00 58.65 58.71 1tfx h GLN 239 Cb 0.10 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 27.84 1tfx h GLN 239 CO -0.00 0.11 -0.07 1.96 -0.67 0.00 0.00 178.83 180.16 1tfx h GLN 240 N 0.18 -0.20 -0.16 1.46 1.08 -1.21 0.14 115.11 116.41 1tfx h GLN 240 Ca 0.05 0.01 0.03 0.00 -1.45 0.00 0.00 58.65 57.30 1tfx h GLN 240 Cb -0.02 0.04 -0.03 0.00 -0.05 0.00 0.00 27.48 27.43 1tfx h GLN 240 CO -0.02 -0.13 -0.05 1.15 -0.95 0.00 0.00 178.83 178.84 1tfx h THR 241 N -0.20 0.82 0.25 -0.54 2.02 -1.00 -1.50 112.91 112.75 1tfx h THR 241 Ca -0.02 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.15 1tfx h THR 241 Cb 0.16 0.82 0.00 0.00 -1.74 0.00 0.00 68.15 67.39 1tfx h THR 241 CO 0.03 0.00 -0.12 0.40 0.37 0.00 0.00 175.52 176.20 1tfx h ILE 242 N -0.01 0.77 0.00 3.11 2.04 -1.12 -2.42 117.51 119.88 1tfx h ILE 242 Ca 0.08 -0.11 0.00 0.00 1.00 0.00 0.00 64.86 65.83 1tfx h ILE 242 Cb 0.13 0.84 0.00 0.00 -0.74 0.00 0.00 36.82 37.05 1tfx h ILE 242 CO -0.17 0.02 0.00 0.00 0.00 0.00 0.00 178.15 178.00 1tfx n ALA 243 N -2.27 1.86 -2.56 1.87 0.00 0.49 -2.33 120.51 117.58 1tfx n ALA 243 Ca -0.09 -0.04 0.02 0.00 0.00 0.00 0.00 53.44 53.33 1tfx n ALA 243 Cb 0.17 -1.09 0.04 0.00 0.00 0.00 0.00 19.45 18.57 1tfx n ALA 243 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1tfx n ALA 244 N -0.77 2.55 -1.74 0.00 0.00 -0.59 -5.02 120.51 114.94 1tfx n ALA 244 Ca 0.04 -2.55 0.00 0.00 0.00 0.00 0.00 53.44 50.93 1tfx n ALA 244 Cb 0.02 -0.76 0.00 0.00 0.00 0.00 0.00 19.45 18.71 1tfx n ALA 244 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59