#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qfu s VAL 2 N 0.00 5.02 -0.22 2.53 1.01 -1.26 -5.01 120.40 122.46 1qfu s VAL 2 Ca 0.00 0.68 -0.05 0.00 0.00 0.00 0.00 61.98 62.60 1qfu s VAL 2 Cb 0.00 -3.69 -0.02 0.00 0.00 0.00 0.00 36.38 32.67 1qfu s VAL 2 CO 0.00 0.38 0.01 -0.69 0.00 0.00 0.00 175.10 174.80 1qfu s VAL 3 N -1.30 3.86 -0.36 2.92 1.01 -1.26 -4.78 120.40 120.49 1qfu s VAL 3 Ca 0.31 -0.33 -0.21 0.00 0.00 0.00 0.00 61.98 61.75 1qfu s VAL 3 Cb -0.15 -2.77 0.00 0.00 0.00 0.00 0.00 36.38 33.46 1qfu s VAL 3 CO 0.17 0.39 0.65 -0.04 0.00 0.00 0.00 175.10 176.28 1qfu s MET 4 N 1.40 3.67 -0.40 2.72 -1.94 -1.26 -2.49 119.30 121.00 1qfu s MET 4 Ca 0.05 0.07 -0.07 0.00 -1.71 0.00 0.00 55.69 54.02 1qfu s MET 4 Cb -0.15 -3.81 0.08 0.00 2.01 0.00 0.00 34.83 32.96 1qfu s MET 4 CO 0.01 -0.76 0.22 0.99 -0.01 0.00 0.00 175.02 175.46 1qfu s THR 5 N 2.76 3.96 0.13 2.05 2.01 0.11 -4.15 115.64 122.51 1qfu s THR 5 Ca 0.25 -1.46 -0.03 0.00 0.31 0.00 0.00 61.69 60.76 1qfu s THR 5 Cb -0.14 -3.43 -0.05 0.00 0.01 0.00 0.00 72.50 68.89 1qfu s THR 5 CO 0.15 -0.47 0.34 -1.10 -0.69 0.00 0.00 174.62 172.85 1qfu s GLN 6 N 1.37 3.56 -0.28 4.92 -0.21 -1.26 -0.70 119.66 127.06 1qfu s GLN 6 Ca 0.03 -0.22 -0.18 0.00 0.02 0.00 0.00 55.36 55.00 1qfu s GLN 6 Cb -0.22 -2.89 0.09 0.00 1.00 0.00 0.00 33.01 30.98 1qfu s GLN 6 CO 0.01 0.49 0.76 0.95 -2.12 0.00 0.00 175.29 175.38 1qfu s THR 7 N -1.66 0.00 0.86 -0.19 -4.23 -0.49 -4.76 115.64 105.16 1qfu s THR 7 Ca 0.39 0.00 -0.14 0.00 -1.18 0.00 0.00 61.69 60.76 1qfu s THR 7 Cb -0.12 -1.00 0.22 0.00 1.34 0.00 0.00 72.50 72.94 1qfu s THR 7 CO 0.26 0.00 0.55 -0.81 -0.54 0.00 0.00 174.62 174.09 1qfu n PRO 8 N 3.79 -3.44 -0.08 3.99 -0.04 -1.26 -1.26 135.00 136.69 1qfu n PRO 8 Ca -0.18 -0.92 -0.10 0.00 -0.04 0.00 0.00 63.50 62.26 1qfu n PRO 8 Cb 0.58 -1.11 -0.09 0.00 -0.04 0.00 0.00 33.50 32.84 1qfu n PRO 8 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 1qfu n LEU 9 N 0.00 2.13 -4.00 1.53 -0.00 -1.26 -4.63 117.00 110.76 1qfu n LEU 9 Ca 0.09 -0.06 -0.16 0.00 -0.00 0.00 0.00 56.01 55.87 1qfu n LEU 9 Cb 0.36 -0.33 -0.14 0.00 -0.00 0.00 0.00 43.42 43.31 1qfu n LEU 9 CO 0.24 0.65 -0.41 -0.94 -0.00 0.00 0.00 177.39 176.93 1qfu s SER 10 N -5.35 0.82 -0.23 1.96 1.04 -1.26 -0.74 113.70 109.94 1qfu s SER 10 Ca -0.18 -0.20 -0.04 0.00 0.48 0.00 0.00 55.95 56.01 1qfu s SER 10 Cb 0.05 -0.07 0.08 0.00 0.10 0.00 0.00 66.02 66.19 1qfu s SER 10 CO 0.43 0.03 0.09 -0.22 0.98 0.00 0.00 173.24 174.56 1qfu s LEU 11 N -0.43 0.80 -0.36 2.42 1.98 0.35 -4.92 118.68 118.52 1qfu s LEU 11 Ca 0.00 -1.01 -0.23 0.00 -2.89 0.00 0.00 54.13 50.00 1qfu s LEU 11 Cb -0.04 -0.42 0.01 0.00 0.66 0.00 0.00 46.19 46.40 1qfu s LEU 11 CO -0.00 -0.38 0.75 -2.84 -1.89 0.00 0.00 176.35 171.99 1qfu s PRO 12 N 2.01 3.75 0.33 0.98 0.02 -1.25 0.25 135.00 141.08 1qfu s PRO 12 Ca 0.05 0.27 0.07 0.00 0.02 0.00 0.00 61.00 61.41 1qfu s PRO 12 Cb -0.16 -3.80 -0.06 0.00 0.02 0.00 0.00 34.50 30.49 1qfu s PRO 12 CO -0.21 -0.82 -0.04 0.14 -0.33 0.00 0.00 177.00 175.74 1qfu s VAL 13 N 3.01 1.84 0.05 3.83 -7.23 0.34 -4.92 120.40 117.31 1qfu s VAL 13 Ca 0.30 -2.11 0.07 0.00 -1.81 0.00 0.00 61.98 58.43 1qfu s VAL 13 Cb -0.13 -2.66 -0.03 0.00 0.56 0.00 0.00 36.38 34.11 1qfu s VAL 13 CO 0.16 -0.18 -0.17 -0.44 -0.31 0.00 0.00 175.10 174.17 1qfu s SER 14 N -3.55 3.90 -0.00 4.85 0.01 -1.26 0.74 113.70 118.39 1qfu s SER 14 Ca 0.32 -0.41 -0.38 0.00 1.31 0.00 0.00 55.95 56.79 1qfu s SER 14 Cb 0.05 -0.65 -0.17 0.00 0.21 0.00 0.00 66.02 65.46 1qfu s SER 14 CO 0.15 0.25 1.40 0.18 0.41 0.00 0.00 173.24 175.63 1qfu n LEU 15 N 1.45 1.65 0.00 2.44 4.32 -1.26 -0.16 117.00 125.44 1qfu n LEU 15 Ca -0.16 1.11 0.00 0.00 -0.02 0.00 0.00 56.01 56.95 1qfu n LEU 15 Cb 0.52 -1.15 0.00 0.00 -1.62 0.00 0.00 43.42 41.17 1qfu n LEU 15 CO 0.27 -0.99 0.00 0.61 -1.22 0.00 0.00 177.39 176.06 1qfu n GLY 16 N 2.79 2.78 3.31 -0.72 0.00 -0.22 -4.94 105.19 108.19 1qfu n GLY 16 Ca 0.20 -0.33 -0.31 0.00 0.00 0.00 0.00 46.02 45.58 1qfu n GLY 16 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1qfu s ASP 17 N 0.44 -1.16 -0.32 1.61 1.11 0.77 -4.03 116.67 115.09 1qfu s ASP 17 Ca 0.00 0.75 0.02 0.00 0.18 0.00 0.00 52.55 53.50 1qfu s ASP 17 Cb 0.00 -1.02 0.08 0.00 1.07 0.00 0.00 42.92 43.05 1qfu s ASP 17 CO 0.00 -5.41 0.01 -1.58 1.18 0.00 0.00 175.17 169.37 1qfu s GLN 18 N -5.20 1.91 0.71 8.23 0.74 -1.21 -0.07 119.66 124.77 1qfu s GLN 18 Ca 0.69 -1.62 -0.11 0.00 0.05 0.00 0.00 55.36 54.37 1qfu s GLN 18 Cb -0.11 -3.14 0.02 0.00 1.10 0.00 0.00 33.01 30.87 1qfu s GLN 18 CO 0.57 -0.79 1.07 0.00 -0.55 0.00 0.00 175.29 175.58 1qfu s ALA 19 N 1.04 2.67 -0.29 1.58 0.00 -0.46 -4.89 121.76 121.40 1qfu s ALA 19 Ca 0.02 -0.10 0.04 0.00 0.00 0.00 0.00 51.96 51.93 1qfu s ALA 19 Cb -0.20 -3.11 0.20 0.00 0.00 0.00 0.00 23.12 20.00 1qfu s ALA 19 CO -0.06 -1.26 0.60 0.45 0.00 0.00 0.00 175.76 175.50 1qfu s SER 20 N -3.98 -1.57 -0.02 0.00 0.15 -1.26 -2.12 113.70 104.89 1qfu s SER 20 Ca 0.58 0.30 -0.08 0.00 0.70 0.00 0.00 55.95 57.46 1qfu s SER 20 Cb -0.13 2.04 -0.05 0.00 -1.71 0.00 0.00 66.02 66.17 1qfu s SER 20 CO 0.54 -0.29 0.26 -0.63 1.20 0.00 0.00 173.24 174.32 1qfu s ILE 21 N 2.84 5.31 0.03 6.45 1.09 -0.77 -4.68 121.20 131.47 1qfu s ILE 21 Ca 0.12 0.26 0.09 0.00 -1.10 0.00 0.00 60.65 60.02 1qfu s ILE 21 Cb -0.11 -3.55 -0.03 0.00 -1.06 0.00 0.00 42.46 37.72 1qfu s ILE 21 CO -0.25 0.45 -0.25 -0.55 -0.10 0.00 0.00 174.94 174.23 1qfu s SER 22 N -1.48 3.20 0.02 3.58 0.15 -0.39 -0.97 113.70 117.82 1qfu s SER 22 Ca 0.24 -0.54 0.06 0.00 0.70 0.00 0.00 55.95 56.41 1qfu s SER 22 Cb -0.13 -0.34 -0.02 0.00 -1.71 0.00 0.00 66.02 63.82 1qfu s SER 22 CO 0.13 0.28 -0.17 0.00 1.20 0.00 0.00 173.24 174.68 1qfu s ARG 24 N -0.86 -0.04 -0.04 0.00 0.52 0.13 -1.09 118.95 117.57 1qfu s ARG 24 Ca 0.05 0.25 -0.02 0.00 -0.52 0.00 0.00 55.73 55.50 1qfu s ARG 24 Cb -0.07 -0.31 -0.04 0.00 0.52 0.00 0.00 34.95 35.04 1qfu s ARG 24 CO 0.01 -0.21 0.09 -1.54 0.02 0.00 0.00 175.30 173.66 1qfu s SER 25 N 1.38 5.78 0.10 0.23 1.04 0.22 0.04 113.70 122.50 1qfu s SER 25 Ca -0.05 0.21 0.09 0.00 0.48 0.00 0.00 55.95 56.68 1qfu s SER 25 Cb -0.13 -1.71 0.43 0.00 0.10 0.00 0.00 66.02 64.72 1qfu s SER 25 CO -0.03 0.31 1.26 -1.54 0.98 0.00 0.00 173.24 174.22 1qfu n SER 26 N 1.44 0.19 -3.57 7.02 3.41 -1.04 -4.68 113.62 116.40 1qfu n SER 26 Ca -0.15 0.58 -0.13 0.00 -0.26 0.00 0.00 58.87 58.91 1qfu n SER 26 Cb 0.53 -0.61 -0.06 0.00 -0.26 0.00 0.00 64.21 63.81 1qfu n SER 26 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1qfu s GLN 27 N -3.17 0.77 0.25 4.33 -2.07 -1.26 -4.97 119.66 113.55 1qfu s GLN 27 Ca 0.00 0.30 -0.25 0.00 -1.82 0.00 0.00 55.36 53.59 1qfu s GLN 27 Cb 0.03 0.37 -0.16 0.00 -1.09 0.00 0.00 33.01 32.16 1qfu s GLN 27 CO 0.10 -0.22 0.37 0.25 -1.32 0.00 0.00 175.29 174.47 1qfu n THR 28 N 1.10 1.53 -0.96 3.63 -2.24 -1.25 -4.82 114.28 111.26 1qfu n THR 28 Ca -0.14 -0.48 0.08 0.00 -2.27 0.00 0.00 64.05 61.23 1qfu n THR 28 Cb 0.57 0.00 0.32 0.00 -2.10 0.00 0.00 70.33 69.13 1qfu n THR 28 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1qfu n LEU 29 N 2.04 4.73 -4.71 3.22 4.77 0.25 -4.94 117.00 122.35 1qfu n LEU 29 Ca 0.15 -3.00 -0.42 0.00 -0.03 0.00 0.00 56.01 52.72 1qfu n LEU 29 Cb 0.29 -0.61 -0.03 0.00 -2.33 0.00 0.00 43.42 40.73 1qfu n LEU 29 CO 0.54 0.66 0.67 -0.69 -1.33 0.00 0.00 177.39 177.24 1qfu s VAL 30 N -2.82 4.84 0.57 4.08 1.01 -1.26 -3.18 120.40 123.65 1qfu s VAL 30 Ca 0.48 2.04 -0.06 0.00 0.00 0.00 0.00 61.98 64.43 1qfu s VAL 30 Cb 0.38 -4.31 -0.01 0.00 0.00 0.00 0.00 36.38 32.44 1qfu s VAL 30 CO 0.12 0.18 0.89 -2.28 0.00 0.00 0.00 175.10 174.01 1qfu s HIS 31 N 0.91 3.38 0.64 5.22 2.46 0.64 -4.90 115.29 123.64 1qfu s HIS 31 Ca 0.51 0.77 0.36 0.00 0.47 0.00 0.00 55.06 57.17 1qfu s HIS 31 Cb -0.21 -2.63 2.02 0.00 -0.13 0.00 0.00 32.58 31.63 1qfu s HIS 31 CO 0.28 -0.68 2.20 0.77 -2.47 0.00 0.00 174.74 174.83 1qfu h SER 31 N -0.11 0.00 -0.26 9.88 0.02 -1.96 0.90 113.55 122.02 1qfu h SER 31 Ca -0.46 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.49 1qfu h SER 31 Cb 1.24 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.78 1qfu h SER 31 CO 0.61 0.00 0.00 -0.46 -1.14 0.00 0.00 176.83 175.84 1qfu n ASN 31 N -3.26 2.14 0.00 3.07 0.23 -1.26 -4.91 115.26 111.26 1qfu n ASN 31 Ca -0.02 -1.83 0.00 0.00 -0.53 0.00 0.00 54.58 52.21 1qfu n ASN 31 Cb 0.20 -0.17 0.00 0.00 -2.08 0.00 0.00 39.78 37.73 1qfu n ASN 31 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1qfu n GLY 31 N 1.21 0.78 3.74 4.83 0.00 0.31 -5.02 105.19 111.05 1qfu n GLY 31 Ca 0.16 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.81 1qfu n GLY 31 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1qfu s ASN 31 N -2.59 6.67 -0.50 1.61 0.01 -1.25 -4.62 114.94 114.28 1qfu s ASN 31 Ca 0.00 0.80 -0.19 0.00 -0.71 0.00 0.00 52.86 52.76 1qfu s ASN 31 Cb 0.00 -2.27 0.06 0.00 0.41 0.00 0.00 41.25 39.45 1qfu s ASN 31 CO 0.00 0.07 0.60 -0.89 -1.51 0.00 0.00 177.10 175.38 1qfu s THR 31 N 0.29 4.90 -1.37 1.60 2.01 -1.26 -0.26 115.64 121.56 1qfu s THR 31 Ca 0.24 -0.48 -0.08 0.00 0.31 0.00 0.00 61.69 61.68 1qfu s THR 31 Cb -0.15 -4.27 0.10 0.00 0.01 0.00 0.00 72.50 68.19 1qfu s THR 31 CO 0.10 -0.76 2.31 -1.22 -0.69 0.00 0.00 174.62 174.36 1qfu n TYR 32 N 6.09 2.73 -4.30 4.92 4.01 -1.19 -3.99 117.16 125.43 1qfu n TYR 32 Ca -0.07 -2.86 -0.34 0.00 -0.16 0.00 0.00 57.90 54.47 1qfu n TYR 32 Cb 0.45 -2.02 -0.10 0.00 -0.31 0.00 0.00 39.34 37.37 1qfu n TYR 32 CO 0.00 0.00 0.00 -1.17 -0.46 0.00 0.00 176.86 175.23 1qfu s LEU 33 N -0.90 3.54 0.14 7.72 1.98 -1.26 -1.77 118.68 128.12 1qfu s LEU 33 Ca 0.52 0.05 0.05 0.00 -2.89 0.00 0.00 54.13 51.85 1qfu s LEU 33 Cb 0.15 -1.84 -0.04 0.00 0.66 0.00 0.00 46.19 45.12 1qfu s LEU 33 CO -0.06 0.27 -0.11 -1.00 -1.89 0.00 0.00 176.35 173.56 1qfu s HIS 34 N -0.23 1.27 -0.14 5.38 3.76 -0.24 -0.70 115.29 124.39 1qfu s HIS 34 Ca 0.06 -0.70 0.02 0.00 -0.15 0.00 0.00 55.06 54.29 1qfu s HIS 34 Cb -0.12 -0.65 0.02 0.00 1.11 0.00 0.00 32.58 32.93 1qfu s HIS 34 CO 0.02 0.09 -0.18 -1.58 -0.85 0.00 0.00 174.74 172.24 1qfu s TRP 35 N -2.95 2.41 0.12 1.40 0.52 0.23 -1.28 118.94 119.40 1qfu s TRP 35 Ca 0.13 -1.26 0.08 0.00 0.02 0.00 0.00 56.10 55.07 1qfu s TRP 35 Cb 0.00 -1.69 -0.04 0.00 -1.15 0.00 0.00 33.47 30.59 1qfu s TRP 35 CO 0.01 -0.62 -0.11 0.71 0.02 0.00 0.00 176.95 176.96 1qfu s TYR 36 N 1.07 2.69 -0.19 -1.98 1.51 -0.08 -1.30 117.35 119.07 1qfu s TYR 36 Ca -0.03 -0.19 0.01 0.00 -1.01 0.00 0.00 57.07 55.86 1qfu s TYR 36 Cb -0.14 -1.39 0.03 0.00 -0.11 0.00 0.00 41.96 40.34 1qfu s TYR 36 CO -0.05 0.43 -0.14 -1.17 -1.11 0.00 0.00 175.55 173.50 1qfu s LEU 37 N -2.29 2.22 -0.33 -1.29 2.96 -0.45 -1.41 118.68 118.08 1qfu s LEU 37 Ca 0.21 -0.77 -0.07 0.00 -0.22 0.00 0.00 54.13 53.28 1qfu s LEU 37 Cb -0.11 -1.33 0.03 0.00 0.50 0.00 0.00 46.19 45.28 1qfu s LEU 37 CO 0.13 -0.08 0.11 -1.58 -1.32 0.00 0.00 176.35 173.61 1qfu s GLN 38 N 1.35 2.74 0.31 1.98 0.74 0.10 -2.09 119.66 124.80 1qfu s GLN 38 Ca 0.01 -1.10 -0.27 0.00 0.05 0.00 0.00 55.36 54.05 1qfu s GLN 38 Cb -0.15 -3.48 -0.10 0.00 1.10 0.00 0.00 33.01 30.39 1qfu s GLN 38 CO -0.10 -0.63 0.98 0.21 -0.55 0.00 0.00 175.29 175.20 1qfu s LYS 39 N 1.44 4.57 0.38 1.67 2.47 -1.26 -1.45 119.74 127.56 1qfu s LYS 39 Ca -0.00 1.45 -0.26 0.00 -1.56 0.00 0.00 55.97 55.59 1qfu s LYS 39 Cb -0.19 -2.89 -0.11 0.00 -1.46 0.00 0.00 37.83 33.17 1qfu s LYS 39 CO 0.03 0.25 1.20 -0.35 0.16 0.00 0.00 175.35 176.64 1qfu n PRO 40 N 0.71 1.82 -1.95 4.03 -0.04 -1.26 -1.93 135.00 136.38 1qfu n PRO 40 Ca 0.01 0.64 -0.12 0.00 -0.04 0.00 0.00 63.50 63.99 1qfu n PRO 40 Cb 0.49 -2.23 -0.02 0.00 -0.04 0.00 0.00 33.50 31.69 1qfu n PRO 40 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1qfu n GLY 41 N 0.91 0.34 3.30 0.55 0.00 -1.26 -4.99 105.19 104.05 1qfu n GLY 41 Ca 0.07 -0.40 -0.19 0.00 0.00 0.00 0.00 46.02 45.50 1qfu n GLY 41 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1qfu n GLN 42 N -2.33 0.47 -4.01 1.61 6.02 -0.81 -5.17 117.38 113.15 1qfu n GLN 42 Ca -0.14 -3.31 -0.26 0.00 -0.01 0.00 0.00 57.00 53.28 1qfu n GLN 42 Cb 0.54 2.79 -0.04 0.00 1.02 0.00 0.00 30.24 34.55 1qfu n GLN 42 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 1qfu s SER 43 N -3.35 5.95 0.97 1.08 1.04 -1.26 -4.74 113.70 113.38 1qfu s SER 43 Ca 0.39 0.02 -0.12 0.00 0.48 0.00 0.00 55.95 56.72 1qfu s SER 43 Cb 0.01 -1.68 0.13 0.00 0.10 0.00 0.00 66.02 64.58 1qfu s SER 43 CO 0.28 0.05 0.81 -2.65 0.98 0.00 0.00 173.24 172.70 1qfu n PRO 44 N -0.54 -0.71 -3.85 4.02 -0.02 -1.26 -4.59 135.00 128.03 1qfu n PRO 44 Ca -0.08 -0.16 -0.15 0.00 -2.02 0.00 0.00 63.50 61.09 1qfu n PRO 44 Cb 0.55 -2.14 -0.16 0.00 -0.02 0.00 0.00 33.50 31.73 1qfu n PRO 44 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 1qfu s LYS 45 N -4.20 0.10 0.29 -0.52 1.02 -0.89 -4.94 119.74 110.61 1qfu s LYS 45 Ca 0.63 0.11 -0.29 0.00 0.02 0.00 0.00 55.97 56.44 1qfu s LYS 45 Cb -0.22 -0.30 -0.10 0.00 -0.52 0.00 0.00 37.83 36.69 1qfu s LYS 45 CO 0.63 -0.13 1.43 -1.17 -0.92 0.00 0.00 175.35 175.19 1qfu s LEU 46 N 0.87 4.38 0.00 3.17 0.20 -1.26 -1.34 118.68 124.70 1qfu s LEU 46 Ca -0.08 2.76 0.00 0.00 0.69 0.00 0.00 54.13 57.50 1qfu s LEU 46 Cb -0.11 -3.64 0.00 0.00 -0.43 0.00 0.00 46.19 42.01 1qfu s LEU 46 CO -0.02 -0.71 0.00 -0.11 -0.29 0.00 0.00 176.35 175.22 1qfu n LEU 47 N 1.62 0.60 -3.71 -0.68 7.94 -0.42 -4.77 117.00 117.58 1qfu n LEU 47 Ca 0.04 0.00 -0.16 0.00 -1.11 0.00 0.00 56.01 54.79 1qfu n LEU 47 Cb 0.40 0.00 -0.15 0.00 0.53 0.00 0.00 43.42 44.20 1qfu n LEU 47 CO 0.61 0.10 -0.26 -0.63 -1.11 0.00 0.00 177.39 176.10 1qfu s ILE 48 N -2.00 -0.14 0.22 1.96 1.01 -1.08 -1.86 121.20 119.31 1qfu s ILE 48 Ca 0.00 0.28 0.09 0.00 0.00 0.00 0.00 60.65 61.02 1qfu s ILE 48 Cb 0.00 -0.24 -0.04 0.00 0.01 0.00 0.00 42.46 42.19 1qfu s ILE 48 CO 0.00 0.12 -0.03 -0.72 0.00 0.00 0.00 174.94 174.30 1qfu s TYR 49 N 1.72 2.70 -1.04 3.97 -0.85 0.91 -0.60 117.35 124.16 1qfu s TYR 49 Ca -0.03 -0.21 -0.18 0.00 -0.52 0.00 0.00 57.07 56.14 1qfu s TYR 49 Cb -0.12 -1.26 0.01 0.00 0.38 0.00 0.00 41.96 40.97 1qfu s TYR 49 CO -0.05 0.57 0.70 1.63 -1.52 0.00 0.00 175.55 176.88 1qfu n LYS 50 N -0.44 -1.01 0.00 -3.49 5.02 -0.91 -1.57 118.16 115.75 1qfu n LYS 50 Ca -0.08 0.51 0.00 0.00 -2.02 0.00 0.00 58.31 56.72 1qfu n LYS 50 Cb 0.57 -3.30 0.00 0.00 -0.02 0.00 0.00 35.03 32.28 1qfu n LYS 50 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1qfu n VAL 51 N -3.82 0.00 -2.01 -0.18 0.31 0.12 -3.61 118.33 109.14 1qfu n VAL 51 Ca -0.15 0.00 0.04 0.00 -0.01 0.00 0.00 64.34 64.22 1qfu n VAL 51 Cb 0.60 0.00 0.07 0.00 -0.91 0.00 0.00 33.84 33.61 1qfu n VAL 51 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 1qfu n SER 52 N 0.03 1.11 -4.48 4.52 3.41 -1.24 -3.50 113.62 113.47 1qfu n SER 52 Ca 0.00 -2.58 -0.34 0.00 -0.26 0.00 0.00 58.87 55.70 1qfu n SER 52 Cb 0.00 -0.35 -0.12 0.00 -0.26 0.00 0.00 64.21 63.48 1qfu n SER 52 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 1qfu s ASN 53 N -2.18 4.60 -0.12 4.04 0.01 -0.61 -4.77 114.94 115.91 1qfu s ASN 53 Ca 0.27 -0.15 -0.30 0.00 -0.71 0.00 0.00 52.86 51.98 1qfu s ASN 53 Cb 0.29 -1.64 -0.01 0.00 0.41 0.00 0.00 41.25 40.30 1qfu s ASN 53 CO -0.09 0.20 1.10 -0.13 -1.51 0.00 0.00 177.10 176.67 1qfu s ARG 54 N 0.15 4.35 1.02 -0.60 0.52 -1.26 -0.06 118.95 123.06 1qfu s ARG 54 Ca -0.03 1.50 -0.12 0.00 -0.52 0.00 0.00 55.73 56.56 1qfu s ARG 54 Cb -0.14 -3.59 0.20 0.00 0.52 0.00 0.00 34.95 31.94 1qfu s ARG 54 CO 0.03 -0.46 1.08 0.12 0.02 0.00 0.00 175.30 176.10 1qfu s PHE 55 N 2.46 2.01 0.23 -0.53 5.36 -0.77 -4.88 117.98 121.86 1qfu s PHE 55 Ca 0.50 1.03 -0.32 0.00 -0.96 0.00 0.00 56.93 57.19 1qfu s PHE 55 Cb -0.20 -3.24 -0.13 0.00 -0.34 0.00 0.00 43.02 39.12 1qfu s PHE 55 CO 0.16 -3.00 1.54 -1.13 -1.46 0.00 0.00 175.22 171.34 1qfu n SER 56 N -4.26 3.31 0.00 6.13 3.41 -1.26 -2.77 113.62 118.18 1qfu n SER 56 Ca 0.05 1.12 0.00 0.00 -0.26 0.00 0.00 58.87 59.78 1qfu n SER 56 Cb 0.57 -1.49 0.00 0.00 -0.26 0.00 0.00 64.21 63.02 1qfu n SER 56 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1qfu n GLY 57 N 2.69 2.73 3.68 5.00 0.00 -1.26 -5.03 105.19 113.01 1qfu n GLY 57 Ca 0.13 -0.67 -0.45 0.00 0.00 0.00 0.00 46.02 45.03 1qfu n GLY 57 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1qfu n VAL 58 N 0.00 0.27 -2.24 1.61 0.24 -1.11 -4.94 118.33 112.16 1qfu n VAL 58 Ca 0.00 -0.07 -0.34 0.00 -2.04 0.00 0.00 64.34 61.89 1qfu n VAL 58 Cb 0.00 -1.62 -0.00 0.00 -1.47 0.00 0.00 33.84 30.75 1qfu n VAL 58 CO 0.00 0.00 0.00 -2.16 -2.14 0.00 0.00 176.83 172.53 1qfu s PRO 59 N 0.57 3.40 0.00 7.34 0.04 -1.26 -4.85 135.00 140.23 1qfu s PRO 59 Ca 0.75 1.45 0.00 0.00 0.04 0.00 0.00 61.00 63.24 1qfu s PRO 59 Cb -0.64 -2.03 0.00 0.00 0.04 0.00 0.00 34.50 31.88 1qfu s PRO 59 CO 0.40 -0.78 0.73 -0.40 0.04 0.00 0.00 177.00 177.00 1qfu n ASP 60 N -1.47 0.00 -0.05 6.66 5.75 -1.26 -1.37 116.55 124.81 1qfu n ASP 60 Ca 0.10 0.27 0.15 0.00 -0.01 0.00 0.00 54.79 55.30 1qfu n ASP 60 Cb 0.52 -0.27 0.79 0.00 -1.03 0.00 0.00 41.12 41.12 1qfu n ASP 60 CO 0.00 0.00 0.00 -2.11 -0.11 0.00 0.00 177.20 174.98 1qfu n ARG 61 N -1.23 0.77 -4.10 0.11 1.85 -1.26 -4.71 116.66 108.09 1qfu n ARG 61 Ca 0.00 -0.11 -0.35 0.00 -1.00 0.00 0.00 57.85 56.40 1qfu n ARG 61 Cb 0.10 -1.50 -0.10 0.00 -1.05 0.00 0.00 32.46 29.92 1qfu n ARG 61 CO 0.00 0.00 0.00 -0.06 -0.01 0.00 0.00 177.63 177.56 1qfu s PHE 62 N -2.30 3.25 -0.02 2.89 0.08 -0.47 -1.78 117.98 119.63 1qfu s PHE 62 Ca 0.36 0.10 -0.02 0.00 0.12 0.00 0.00 56.93 57.50 1qfu s PHE 62 Cb 0.21 -2.00 0.00 0.00 -0.57 0.00 0.00 43.02 40.66 1qfu s PHE 62 CO 0.42 0.25 0.05 -1.54 -0.10 0.00 0.00 175.22 174.30 1qfu s SER 63 N 0.01 -0.04 0.35 1.36 1.04 -0.07 -4.97 113.70 111.38 1qfu s SER 63 Ca 0.05 0.07 0.06 0.00 0.48 0.00 0.00 55.95 56.61 1qfu s SER 63 Cb -0.12 0.11 -0.07 0.00 0.10 0.00 0.00 66.02 66.04 1qfu s SER 63 CO 0.01 -0.04 -0.01 -0.83 0.98 0.00 0.00 173.24 173.35 1qfu s GLY 64 N -0.09 2.19 -0.06 7.32 0.00 -1.26 0.92 107.32 116.33 1qfu s GLY 64 Ca -0.01 -2.11 -0.32 0.00 0.00 0.00 0.00 44.72 42.28 1qfu s GLY 64 CO 0.00 -1.95 1.38 -1.35 0.00 0.00 0.00 173.10 171.17 1qfu s SER 65 N -3.57 -0.02 0.00 1.64 1.04 -0.69 -4.59 113.70 107.51 1qfu s SER 65 Ca 0.34 -0.06 0.00 0.00 0.48 0.00 0.00 55.95 56.71 1qfu s SER 65 Cb 0.07 0.07 0.00 0.00 0.10 0.00 0.00 66.02 66.26 1qfu s SER 65 CO 0.16 -0.13 0.00 0.61 0.98 0.00 0.00 173.24 174.86 1qfu n GLY 66 N -0.55 2.23 3.22 7.32 0.00 -1.26 -0.31 105.19 115.84 1qfu n GLY 66 Ca -0.08 -1.80 -0.11 0.00 0.00 0.00 0.00 46.02 44.03 1qfu n GLY 66 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1qfu s SER 67 N 0.00 -0.42 0.00 1.61 0.01 -1.10 -4.96 113.70 108.84 1qfu s SER 67 Ca 0.00 0.83 0.00 0.00 1.31 0.00 0.00 55.95 58.09 1qfu s SER 67 Cb 0.00 0.75 0.00 0.00 0.21 0.00 0.00 66.02 66.98 1qfu s SER 67 CO 0.00 -0.19 0.00 0.61 0.41 0.00 0.00 173.24 174.07 1qfu n GLY 68 N 4.39 -0.08 0.00 3.44 0.00 -1.26 -3.19 105.19 108.49 1qfu n GLY 68 Ca -0.22 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.80 1qfu n GLY 68 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1qfu n THR 69 N 0.00 0.00 -3.74 2.61 -2.24 -1.26 -0.58 114.28 109.07 1qfu n THR 69 Ca 0.00 0.00 -0.38 0.00 -2.27 0.00 0.00 64.05 61.40 1qfu n THR 69 Cb 0.00 -0.57 -0.12 0.00 -2.10 0.00 0.00 70.33 67.54 1qfu n THR 69 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1qfu s ASP 70 N -2.93 5.23 0.15 3.42 1.11 -1.19 -0.61 116.67 121.84 1qfu s ASP 70 Ca 0.00 -0.81 0.09 0.00 0.18 0.00 0.00 52.55 52.01 1qfu s ASP 70 Cb 0.00 -1.89 -0.04 0.00 1.07 0.00 0.00 42.92 42.06 1qfu s ASP 70 CO 0.00 -0.23 -0.19 -0.36 1.18 0.00 0.00 175.17 175.56 1qfu s PHE 71 N 1.49 1.84 0.01 4.23 0.40 -0.25 -2.72 117.98 122.98 1qfu s PHE 71 Ca 0.02 -0.45 -0.00 0.00 -0.60 0.00 0.00 56.93 55.90 1qfu s PHE 71 Cb -0.18 -0.95 -0.01 0.00 0.51 0.00 0.00 43.02 42.39 1qfu s PHE 71 CO 0.03 0.30 -0.01 0.95 0.70 0.00 0.00 175.22 177.18 1qfu s THR 72 N -1.74 0.07 -0.04 0.64 -4.23 0.57 -0.01 115.64 110.90 1qfu s THR 72 Ca 0.13 -0.59 -0.01 0.00 -1.18 0.00 0.00 61.69 60.04 1qfu s THR 72 Cb -0.07 -0.18 -0.04 0.00 1.34 0.00 0.00 72.50 73.55 1qfu s THR 72 CO 0.06 -0.32 0.03 -0.22 -0.54 0.00 0.00 174.62 173.63 1qfu s LEU 73 N -0.95 3.70 -0.04 4.79 2.96 -0.14 -1.70 118.68 127.29 1qfu s LEU 73 Ca -0.10 0.12 -0.02 0.00 -0.22 0.00 0.00 54.13 53.91 1qfu s LEU 73 Cb -0.07 -2.01 0.03 0.00 0.50 0.00 0.00 46.19 44.64 1qfu s LEU 73 CO -0.01 0.33 0.05 -0.75 -1.32 0.00 0.00 176.35 174.65 1qfu s LYS 74 N -1.31 0.04 -0.40 1.98 2.20 0.26 -1.84 119.74 120.66 1qfu s LYS 74 Ca 0.18 0.32 -0.13 0.00 -0.36 0.00 0.00 55.97 55.98 1qfu s LYS 74 Cb -0.12 -0.57 0.04 0.00 -1.51 0.00 0.00 37.83 35.67 1qfu s LYS 74 CO 0.08 -0.31 0.27 0.42 -0.36 0.00 0.00 175.35 175.44 1qfu s ILE 75 N 2.06 4.89 0.14 5.43 1.01 -0.90 -0.89 121.20 132.93 1qfu s ILE 75 Ca 0.04 -0.86 -0.13 0.00 0.00 0.00 0.00 60.65 59.69 1qfu s ILE 75 Cb -0.12 -3.77 0.01 0.00 0.01 0.00 0.00 42.46 38.59 1qfu s ILE 75 CO -0.03 -0.33 1.61 0.77 0.00 0.00 0.00 174.94 176.95 1qfu h SER 76 N 8.55 0.77 -3.39 3.58 4.64 -1.62 -1.22 113.55 124.86 1qfu h SER 76 Ca -0.26 -0.28 -0.56 0.00 -0.47 0.00 0.00 61.79 60.22 1qfu h SER 76 Cb 1.11 -0.21 -0.38 0.00 -0.31 0.00 0.00 62.40 62.61 1qfu h SER 76 CO 0.73 0.86 -0.79 -0.60 -0.87 0.00 0.00 176.83 176.16 1qfu s ARG 77 N -5.11 1.36 -0.03 4.77 3.00 -1.23 -3.34 118.95 118.36 1qfu s ARG 77 Ca -0.13 -0.61 -0.27 0.00 -1.00 0.00 0.00 55.73 53.73 1qfu s ARG 77 Cb 0.11 -2.15 -0.03 0.00 0.00 0.00 0.00 34.95 32.87 1qfu s ARG 77 CO 0.80 -0.50 0.84 0.08 0.00 0.00 0.00 175.30 176.53 1qfu s VAL 78 N 1.61 4.95 0.47 7.11 1.01 0.90 -4.87 120.40 131.58 1qfu s VAL 78 Ca -0.01 1.76 0.07 0.00 0.00 0.00 0.00 61.98 63.80 1qfu s VAL 78 Cb -0.16 -4.18 0.07 0.00 0.00 0.00 0.00 36.38 32.10 1qfu s VAL 78 CO -0.07 0.21 0.59 -0.62 0.00 0.00 0.00 175.10 175.20 1qfu n GLU 79 N 3.81 0.71 -0.02 2.72 1.02 -1.26 -1.05 120.64 126.56 1qfu n GLU 79 Ca 0.02 -2.64 -0.17 0.00 -0.02 0.00 0.00 57.16 54.35 1qfu n GLU 79 Cb 0.51 -0.08 -0.09 0.00 -0.02 0.00 0.00 31.44 31.77 1qfu n GLU 79 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1qfu h ALA 80 N 0.30 0.20 0.00 0.62 0.00 -1.96 -3.22 119.26 115.20 1qfu h ALA 80 Ca -0.24 -0.54 -0.02 0.00 0.00 0.00 0.00 54.91 54.12 1qfu h ALA 80 Cb 1.04 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.82 1qfu h ALA 80 CO 0.35 0.44 -0.08 1.05 0.00 0.00 0.00 179.25 181.01 1qfu h GLU 81 N 0.18 0.00 0.00 0.00 4.11 -1.97 -2.49 114.58 114.41 1qfu h GLU 81 Ca -0.05 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.38 1qfu h GLU 81 Cb 1.23 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.48 1qfu h GLU 81 CO 0.12 0.08 0.03 -0.25 0.07 0.00 0.00 179.01 179.06 1qfu n ASP 82 N -3.89 0.00 -4.68 3.06 9.92 -1.22 -4.67 116.55 115.07 1qfu n ASP 82 Ca -0.02 0.36 -0.43 0.00 -0.53 0.00 0.00 54.79 54.17 1qfu n ASP 82 Cb 0.18 -0.36 -0.03 0.00 -0.64 0.00 0.00 41.12 40.27 1qfu n ASP 82 CO 0.00 0.00 0.00 -0.11 0.13 0.00 0.00 177.20 177.22 1qfu n LEU 83 N -1.35 4.07 0.00 0.64 -0.00 -0.94 -4.85 117.00 114.57 1qfu n LEU 83 Ca 0.00 0.96 0.00 0.00 -0.00 0.00 0.00 56.01 56.97 1qfu n LEU 83 Cb 0.03 -1.53 0.00 0.00 -0.00 0.00 0.00 43.42 41.92 1qfu n LEU 83 CO 0.00 0.18 0.00 0.61 -0.00 0.00 0.00 177.39 178.18 1qfu n GLY 84 N 4.35 -0.80 3.31 -3.96 0.00 -1.26 -4.83 105.19 102.01 1qfu n GLY 84 Ca 0.19 -0.91 -0.32 0.00 0.00 0.00 0.00 46.02 44.98 1qfu n GLY 84 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1qfu s VAL 85 N -3.00 2.42 -0.16 1.61 1.01 -0.53 -0.89 120.40 120.86 1qfu s VAL 85 Ca 0.00 -0.92 -0.01 0.00 0.00 0.00 0.00 61.98 61.05 1qfu s VAL 85 Cb 0.00 -1.93 -0.00 0.00 0.00 0.00 0.00 36.38 34.45 1qfu s VAL 85 CO 0.00 0.56 -0.13 -0.31 0.00 0.00 0.00 175.10 175.22 1qfu s TYR 86 N -0.06 2.83 0.19 5.22 1.51 -0.94 0.03 117.35 126.13 1qfu s TYR 86 Ca -0.05 -0.96 0.10 0.00 -1.01 0.00 0.00 57.07 55.15 1qfu s TYR 86 Cb -0.14 -1.92 -0.04 0.00 -0.11 0.00 0.00 41.96 39.74 1qfu s TYR 86 CO 0.04 -0.44 -0.13 -0.06 -1.11 0.00 0.00 175.55 173.85 1qfu s PHE 87 N 0.86 2.55 -0.05 2.71 0.08 -0.50 -0.79 117.98 122.83 1qfu s PHE 87 Ca -0.04 -0.26 0.04 0.00 0.12 0.00 0.00 56.93 56.80 1qfu s PHE 87 Cb -0.15 -1.24 -0.00 0.00 -0.57 0.00 0.00 43.02 41.06 1qfu s PHE 87 CO -0.00 0.52 -0.17 0.00 -0.10 0.00 0.00 175.22 175.47 1qfu s SER 89 N 0.05 1.03 0.00 0.00 1.04 -0.40 0.16 113.70 115.58 1qfu s SER 89 Ca -0.04 -1.22 0.04 0.00 0.48 0.00 0.00 55.95 55.20 1qfu s SER 89 Cb -0.12 0.16 -0.01 0.00 0.10 0.00 0.00 66.02 66.15 1qfu s SER 89 CO 0.02 -0.63 -0.12 0.00 0.98 0.00 0.00 173.24 173.49 1qfu s GLN 90 N -3.97 0.96 -0.26 4.02 1.03 0.71 -1.07 119.66 121.09 1qfu s GLN 90 Ca 0.27 -0.51 -0.13 0.00 0.04 0.00 0.00 55.36 55.02 1qfu s GLN 90 Cb 0.07 -0.93 -0.15 0.00 0.03 0.00 0.00 33.01 32.03 1qfu s GLN 90 CO 0.06 0.25 -0.19 0.09 -2.54 0.00 0.00 175.29 172.95 1qfu n ASN 91 N 2.55 1.95 0.00 12.60 5.03 -0.73 -2.67 115.26 134.00 1qfu n ASN 91 Ca -0.15 0.29 0.00 0.00 0.87 0.00 0.00 54.58 55.59 1qfu n ASN 91 Cb 0.56 -0.80 0.00 0.00 -1.02 0.00 0.00 39.78 38.51 1qfu n ASN 91 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.26 175.84 1qfu n THR 92 N -4.14 0.00 -4.88 3.41 -1.04 -1.25 -4.20 114.28 102.18 1qfu n THR 92 Ca -0.48 0.00 -0.32 0.00 -2.04 0.00 0.00 64.05 61.21 1qfu n THR 92 Cb 0.87 0.00 -0.13 0.00 -1.82 0.00 0.00 70.33 69.24 1qfu n THR 92 CO 0.00 0.00 0.00 -1.00 -0.64 0.00 0.00 175.07 173.43 1qfu s HIS 93 N -4.80 2.61 -0.14 -1.42 3.76 -1.26 -5.03 115.29 109.02 1qfu s HIS 93 Ca 0.00 -0.22 -0.16 0.00 -0.15 0.00 0.00 55.06 54.53 1qfu s HIS 93 Cb 0.00 -1.57 -0.04 0.00 1.11 0.00 0.00 32.58 32.08 1qfu s HIS 93 CO 0.00 0.18 0.39 0.08 -0.85 0.00 0.00 174.74 174.54 1qfu s VAL 94 N -0.77 5.24 0.36 -0.90 1.01 -1.26 -3.10 120.40 120.97 1qfu s VAL 94 Ca 0.12 0.77 -0.27 0.00 0.00 0.00 0.00 61.98 62.61 1qfu s VAL 94 Cb -0.10 -3.73 -0.09 0.00 0.00 0.00 0.00 36.38 32.45 1qfu s VAL 94 CO 0.02 0.36 1.19 -2.84 0.00 0.00 0.00 175.10 173.83 1qfu s PRO 95 N 0.53 4.24 0.25 2.72 0.02 -1.26 -4.94 135.00 136.56 1qfu s PRO 95 Ca 0.22 1.93 -0.30 0.00 0.02 0.00 0.00 61.00 62.87 1qfu s PRO 95 Cb -0.14 -2.87 -0.09 0.00 0.02 0.00 0.00 34.50 31.41 1qfu s PRO 95 CO 0.07 -0.19 1.29 0.71 -0.33 0.00 0.00 177.00 178.55 1qfu s TYR 96 N -1.30 3.23 0.14 6.54 2.02 -1.18 -4.65 117.35 122.15 1qfu s TYR 96 Ca 0.53 1.33 0.09 0.00 -0.37 0.00 0.00 57.07 58.64 1qfu s TYR 96 Cb -0.33 -3.59 -0.04 0.00 -0.40 0.00 0.00 41.96 37.60 1qfu s TYR 96 CO 0.43 -1.73 -0.20 0.95 -1.57 0.00 0.00 175.55 173.42 1qfu s THR 97 N -0.42 1.84 0.32 -0.71 -4.23 -1.09 -4.97 115.64 106.38 1qfu s THR 97 Ca 0.53 -1.75 0.10 0.00 -1.18 0.00 0.00 61.69 59.38 1qfu s THR 97 Cb -0.37 -1.75 -0.05 0.00 1.34 0.00 0.00 72.50 71.67 1qfu s THR 97 CO 0.43 -0.16 -0.04 -0.36 -0.54 0.00 0.00 174.62 173.95 1qfu s PHE 98 N -1.57 2.51 0.72 3.99 0.40 -1.26 -0.20 117.98 122.56 1qfu s PHE 98 Ca 0.12 -0.39 -0.07 0.00 -0.60 0.00 0.00 56.93 55.99 1qfu s PHE 98 Cb -0.08 -1.34 0.07 0.00 0.51 0.00 0.00 43.02 42.18 1qfu s PHE 98 CO 0.06 0.55 1.03 0.20 0.70 0.00 0.00 175.22 177.76 1qfu s GLY 99 N -3.66 1.71 0.00 4.36 0.00 0.43 -4.18 107.32 105.98 1qfu s GLY 99 Ca 0.33 -1.02 0.32 0.00 0.00 0.00 0.00 44.72 44.35 1qfu s GLY 99 CO 0.18 -0.58 2.19 0.61 0.00 0.00 0.00 173.10 175.50 1qfu n GLY 100 N -2.95 -0.95 0.00 0.20 0.00 -1.26 -4.73 105.19 95.50 1qfu n GLY 100 Ca 0.09 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 45.90 1qfu n GLY 100 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qfu n GLY 101 N 1.03 -0.01 2.69 -0.02 0.00 -1.26 -5.00 105.19 102.63 1qfu n GLY 101 Ca 0.23 -1.57 -0.29 0.00 0.00 0.00 0.00 46.02 44.39 1qfu n GLY 101 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1qfu s THR 102 N -2.91 0.58 -0.36 2.61 2.01 0.03 -4.77 115.64 112.82 1qfu s THR 102 Ca 0.00 -1.06 -0.29 0.00 0.31 0.00 0.00 61.69 60.65 1qfu s THR 102 Cb 0.00 -1.37 -0.00 0.00 0.01 0.00 0.00 72.50 71.14 1qfu s THR 102 CO 0.00 -0.58 1.55 -0.75 -0.69 0.00 0.00 174.62 174.14 1qfu s LYS 103 N 1.78 3.54 0.42 4.92 2.20 0.08 -2.21 119.74 130.47 1qfu s LYS 103 Ca 0.07 1.18 -0.21 0.00 -0.36 0.00 0.00 55.97 56.65 1qfu s LYS 103 Cb -0.17 -4.07 -0.11 0.00 -1.51 0.00 0.00 37.83 31.97 1qfu s LYS 103 CO -0.24 -1.61 0.95 -1.17 -0.36 0.00 0.00 175.35 172.92 1qfu s LEU 104 N 5.81 3.98 -0.08 5.43 2.96 -0.07 -0.50 118.68 136.23 1qfu s LEU 104 Ca 0.68 1.70 -0.04 0.00 -0.22 0.00 0.00 54.13 56.25 1qfu s LEU 104 Cb -0.18 -4.48 0.04 0.00 0.50 0.00 0.00 46.19 42.08 1qfu s LEU 104 CO 0.32 -0.33 0.18 -1.83 -1.32 0.00 0.00 176.35 173.37 1qfu s GLU 105 N -3.06 0.12 0.31 1.98 -1.05 0.14 -4.19 118.70 112.94 1qfu s GLU 105 Ca 0.61 0.44 -0.25 0.00 -0.15 0.00 0.00 54.97 55.61 1qfu s GLU 105 Cb -0.10 -0.17 -0.10 0.00 -0.44 0.00 0.00 34.13 33.33 1qfu s GLU 105 CO 0.14 -0.18 0.91 0.42 0.95 0.00 0.00 175.26 177.50 1qfu s ILE 106 N 1.31 4.27 -0.22 1.83 1.01 -1.26 -0.51 121.20 127.63 1qfu s ILE 106 Ca -0.08 1.74 -0.10 0.00 0.00 0.00 0.00 60.65 62.21 1qfu s ILE 106 Cb -0.11 -3.98 -0.05 0.00 0.01 0.00 0.00 42.46 38.32 1qfu s ILE 106 CO -0.07 0.15 0.14 -0.54 0.00 0.00 0.00 174.94 174.62 1qfu s LYS 106 N -2.05 4.13 0.28 2.79 1.02 0.23 -4.82 119.74 121.33 1qfu s LYS 106 Ca 0.49 -0.25 0.06 0.00 0.02 0.00 0.00 55.97 56.29 1qfu s LYS 106 Cb -0.18 -3.47 -0.06 0.00 -0.52 0.00 0.00 37.83 33.60 1qfu s LYS 106 CO 0.23 0.19 -0.03 0.50 -0.92 0.00 0.00 175.35 175.32 1qfu s ARG 107 N 0.69 1.55 0.20 1.68 3.00 -1.26 -4.10 118.95 120.71 1qfu s ARG 107 Ca 0.08 -1.80 -0.32 0.00 -1.00 0.00 0.00 55.73 52.69 1qfu s ARG 107 Cb -0.12 -1.05 -0.11 0.00 0.00 0.00 0.00 34.95 33.66 1qfu s ARG 107 CO 0.01 -0.02 1.68 0.00 0.00 0.00 0.00 175.30 176.97 1qfu s ALA 108 N -3.10 3.90 0.41 6.12 0.00 -1.26 -4.88 121.76 122.94 1qfu s ALA 108 Ca 0.31 1.54 -0.22 0.00 0.00 0.00 0.00 51.96 53.59 1qfu s ALA 108 Cb 0.05 -3.68 -0.14 0.00 0.00 0.00 0.00 23.12 19.36 1qfu s ALA 108 CO 0.12 -0.89 0.35 -0.25 0.00 0.00 0.00 175.76 175.09 1qfu n ASP 109 N 3.89 -1.73 -3.78 0.00 9.92 -1.26 -4.80 116.55 118.77 1qfu n ASP 109 Ca 0.15 0.87 -0.12 0.00 -0.53 0.00 0.00 54.79 55.16 1qfu n ASP 109 Cb 0.36 -1.01 -0.08 0.00 -0.64 0.00 0.00 41.12 39.74 1qfu n ASP 109 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1qfu s ALA 110 N -1.56 -0.63 0.05 2.24 0.00 -1.26 -4.89 121.76 115.71 1qfu s ALA 110 Ca 0.62 0.06 0.03 0.00 0.00 0.00 0.00 51.96 52.66 1qfu s ALA 110 Cb -0.62 0.21 -0.04 0.00 0.00 0.00 0.00 23.12 22.67 1qfu s ALA 110 CO 0.60 -0.33 0.04 0.00 0.00 0.00 0.00 175.76 176.07 1qfu s ALA 111 N -2.01 3.43 1.19 0.00 0.00 -1.26 -2.23 121.76 120.88 1qfu s ALA 111 Ca -0.09 -1.00 -0.15 0.00 0.00 0.00 0.00 51.96 50.71 1qfu s ALA 111 Cb -0.03 -1.37 0.29 0.00 0.00 0.00 0.00 23.12 22.01 1qfu s ALA 111 CO -0.00 0.70 1.03 -1.25 0.00 0.00 0.00 175.76 176.24 1qfu s PRO 112 N -2.07 -1.14 -0.61 0.00 0.04 -1.26 -4.26 135.00 125.69 1qfu s PRO 112 Ca 0.25 0.52 0.06 0.00 0.04 0.00 0.00 61.00 61.87 1qfu s PRO 112 Cb -0.12 -1.55 0.26 0.00 0.04 0.00 0.00 34.50 33.13 1qfu s PRO 112 CO 0.17 -3.79 0.76 2.41 0.04 0.00 0.00 177.00 176.59 1qfu n THR 113 N -4.92 2.24 -1.57 1.26 -1.04 -0.21 -4.91 114.28 105.14 1qfu n THR 113 Ca 0.06 -5.19 -0.45 0.00 -2.04 0.00 0.00 64.05 56.43 1qfu n THR 113 Cb 0.57 -1.96 -0.02 0.00 -1.82 0.00 0.00 70.33 67.09 1qfu n THR 113 CO 0.00 0.00 0.00 0.52 -0.64 0.00 0.00 175.07 174.95 1qfu n VAL 114 N 0.71 1.97 -3.77 12.58 0.31 -1.26 -4.27 118.33 124.60 1qfu n VAL 114 Ca 0.29 -0.49 -0.13 0.00 -0.01 0.00 0.00 64.34 64.01 1qfu n VAL 114 Cb 0.42 -0.89 -0.11 0.00 -0.91 0.00 0.00 33.84 32.35 1qfu n VAL 114 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 1qfu s SER 115 N -0.59 -0.30 0.04 4.52 0.01 -1.12 -4.96 113.70 111.30 1qfu s SER 115 Ca 0.60 0.58 0.05 0.00 1.31 0.00 0.00 55.95 58.49 1qfu s SER 115 Cb -0.73 0.57 -0.02 0.00 0.21 0.00 0.00 66.02 66.05 1qfu s SER 115 CO 0.59 -0.11 -0.15 0.27 0.41 0.00 0.00 173.24 174.25 1qfu s ILE 116 N 0.33 1.21 -0.03 1.44 -4.36 -1.26 -0.47 121.20 118.06 1qfu s ILE 116 Ca -0.01 -1.04 0.03 0.00 -0.26 0.00 0.00 60.65 59.37 1qfu s ILE 116 Cb -0.03 -1.09 0.00 0.00 1.25 0.00 0.00 42.46 42.59 1qfu s ILE 116 CO -0.01 0.04 -0.12 -0.36 0.24 0.00 0.00 174.94 174.73 1qfu s PHE 117 N -0.85 1.19 0.31 1.37 0.40 0.33 -5.00 117.98 115.74 1qfu s PHE 117 Ca 0.03 -0.31 -0.12 0.00 -0.60 0.00 0.00 56.93 55.92 1qfu s PHE 117 Cb -0.08 -0.83 -0.08 0.00 0.51 0.00 0.00 43.02 42.54 1qfu s PHE 117 CO 0.01 -0.12 0.69 -2.14 0.70 0.00 0.00 175.22 174.37 1qfu s PRO 118 N 0.14 3.90 0.34 0.24 0.02 -1.26 -2.42 135.00 135.95 1qfu s PRO 118 Ca -0.03 0.51 -0.23 0.00 0.02 0.00 0.00 61.00 61.27 1qfu s PRO 118 Cb -0.09 -2.48 -0.16 0.00 0.02 0.00 0.00 34.50 31.79 1qfu s PRO 118 CO 0.01 0.16 0.27 -2.30 -0.33 0.00 0.00 177.00 174.81 1qfu n PRO 119 N -0.51 0.06 -3.04 5.54 -0.02 -0.75 -4.92 135.00 131.36 1qfu n PRO 119 Ca 0.02 0.02 -0.32 0.00 -2.02 0.00 0.00 63.50 61.20 1qfu n PRO 119 Cb 0.53 -1.05 -0.06 0.00 -0.02 0.00 0.00 33.50 32.90 1qfu n PRO 119 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 1qfu s SER 120 N -0.99 6.78 0.33 2.55 1.04 -1.26 -4.92 113.70 117.22 1qfu s SER 120 Ca 0.61 1.35 0.03 0.00 0.48 0.00 0.00 55.95 58.41 1qfu s SER 120 Cb -0.73 -2.40 0.62 0.00 0.10 0.00 0.00 66.02 63.61 1qfu s SER 120 CO 0.60 -0.26 1.96 0.50 0.98 0.00 0.00 173.24 177.02 1qfu h LYS 121 N 2.07 0.88 -0.35 4.02 3.64 -1.98 -1.35 116.57 123.51 1qfu h LYS 121 Ca -0.48 -0.05 0.08 0.00 -1.27 0.00 0.00 60.65 58.92 1qfu h LYS 121 Cb 1.18 -0.20 -0.08 0.00 -0.41 0.00 0.00 32.23 32.72 1qfu h LYS 121 CO 0.64 0.58 -0.19 0.82 -2.27 0.00 0.00 179.45 179.04 1qfu h ILE 122 N 0.91 0.45 -0.07 2.00 2.04 -1.98 -1.19 117.51 119.67 1qfu h ILE 122 Ca 0.32 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 66.16 1qfu h ILE 122 Cb 0.11 0.45 -0.00 0.00 -0.74 0.00 0.00 36.82 36.65 1qfu h ILE 122 CO -0.10 0.00 -0.03 -0.61 0.00 0.00 0.00 178.15 177.42 1qfu h GLN 123 N -0.14 0.14 0.00 2.37 4.15 -1.57 -3.12 115.11 116.94 1qfu h GLN 123 Ca 0.18 -0.06 0.00 0.00 0.77 0.00 0.00 58.65 59.54 1qfu h GLN 123 Cb 0.41 -0.01 0.00 0.00 0.21 0.00 0.00 27.48 28.09 1qfu h GLN 123 CO -0.43 0.50 0.00 1.37 -1.93 0.00 0.00 178.83 178.33 1qfu h LEU 124 N -0.22 0.00 -0.56 -2.39 8.10 -0.48 -1.08 115.31 118.68 1qfu h LEU 124 Ca 0.02 0.00 -0.14 0.00 0.11 0.00 0.00 57.88 57.87 1qfu h LEU 124 Cb 0.45 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 40.66 1qfu h LEU 124 CO 0.01 0.00 -0.34 0.74 -4.11 0.00 0.00 178.44 174.74 1qfu h THR 125 N 0.00 1.28 0.00 0.15 2.02 -1.16 -0.58 112.91 114.62 1qfu h THR 125 Ca 0.00 -1.50 0.00 0.00 0.77 0.00 0.00 66.41 65.68 1qfu h THR 125 Cb 0.25 1.38 0.00 0.00 -1.74 0.00 0.00 68.15 68.04 1qfu h THR 125 CO 0.00 0.49 0.00 -0.24 0.37 0.00 0.00 175.52 176.14 1qfu n SER 126 N -4.06 0.15 -0.12 4.18 2.88 -0.42 -4.86 113.62 111.37 1qfu n SER 126 Ca -0.01 0.54 0.00 0.00 -1.33 0.00 0.00 58.87 58.07 1qfu n SER 126 Cb 0.50 -0.57 0.00 0.00 -0.75 0.00 0.00 64.21 63.39 1qfu n SER 126 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1qfu n GLY 127 N -0.04 1.13 3.28 0.46 0.00 -0.23 -5.07 105.19 104.72 1qfu n GLY 127 Ca 0.03 -0.28 -0.13 0.00 0.00 0.00 0.00 46.02 45.64 1qfu n GLY 127 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1qfu s GLY 128 N -2.37 -0.21 -0.06 -0.02 0.00 -1.14 -3.20 107.32 100.33 1qfu s GLY 128 Ca 0.00 0.38 0.05 0.00 0.00 0.00 0.00 44.72 45.16 1qfu s GLY 128 CO 0.00 0.15 -0.22 0.00 0.00 0.00 0.00 173.10 173.03 1qfu s ALA 129 N -1.62 1.97 -0.35 3.20 0.00 0.91 -1.77 121.76 124.11 1qfu s ALA 129 Ca -0.11 -0.93 -0.09 0.00 0.00 0.00 0.00 51.96 50.83 1qfu s ALA 129 Cb -0.04 -0.63 0.03 0.00 0.00 0.00 0.00 23.12 22.48 1qfu s ALA 129 CO 0.03 0.36 0.15 -1.54 0.00 0.00 0.00 175.76 174.76 1qfu s SER 130 N -0.05 5.49 -0.70 0.00 1.04 -1.26 -2.27 113.70 115.95 1qfu s SER 130 Ca -0.05 -0.98 -0.12 0.00 0.48 0.00 0.00 55.95 55.28 1qfu s SER 130 Cb -0.13 -1.95 0.18 0.00 0.10 0.00 0.00 66.02 64.22 1qfu s SER 130 CO 0.04 -0.33 0.61 -0.69 0.98 0.00 0.00 173.24 173.85 1qfu s VAL 131 N 1.49 5.04 -0.25 5.02 1.01 0.13 -1.81 120.40 131.04 1qfu s VAL 131 Ca 0.01 -2.29 -0.08 0.00 0.00 0.00 0.00 61.98 59.62 1qfu s VAL 131 Cb -0.19 -4.18 -0.03 0.00 0.00 0.00 0.00 36.38 31.98 1qfu s VAL 131 CO 0.05 -0.94 0.09 -0.69 0.00 0.00 0.00 175.10 173.60 1qfu s VAL 132 N 0.54 4.53 -0.12 2.92 1.01 -1.02 -0.21 120.40 128.05 1qfu s VAL 132 Ca 0.13 -0.10 0.01 0.00 0.00 0.00 0.00 61.98 62.03 1qfu s VAL 132 Cb -0.18 -3.12 0.02 0.00 0.00 0.00 0.00 36.38 33.10 1qfu s VAL 132 CO -0.05 0.34 -0.15 0.00 0.00 0.00 0.00 175.10 175.24 1qfu s PHE 134 N 1.11 3.66 -1.24 0.00 0.08 0.38 0.20 117.98 122.16 1qfu s PHE 134 Ca -0.04 -2.24 -0.15 0.00 0.12 0.00 0.00 56.93 54.62 1qfu s PHE 134 Cb -0.14 -3.62 0.14 0.00 -0.57 0.00 0.00 43.02 38.83 1qfu s PHE 134 CO -0.04 -0.94 1.55 1.28 -0.10 0.00 0.00 175.22 176.97 1qfu n LEU 135 N 3.77 5.18 0.00 -0.37 4.32 -1.20 -2.79 117.00 125.91 1qfu n LEU 135 Ca 0.12 -4.29 -0.16 0.00 -0.02 0.00 0.00 56.01 51.66 1qfu n LEU 135 Cb 0.44 -1.66 0.02 0.00 -1.62 0.00 0.00 43.42 40.61 1qfu n LEU 135 CO 0.33 0.57 0.15 -0.46 -1.22 0.00 0.00 177.39 176.76 1qfu n ASN 136 N 6.46 1.85 -1.60 -1.43 0.23 -1.26 -2.97 115.26 116.53 1qfu n ASN 136 Ca 0.41 -2.20 -0.15 0.00 -0.53 0.00 0.00 54.58 52.10 1qfu n ASN 136 Cb 0.44 -0.17 -0.06 0.00 -2.08 0.00 0.00 39.78 37.91 1qfu n ASN 136 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 1qfu n ASN 137 N -2.21 -4.14 -4.32 0.53 5.03 0.27 -1.04 115.26 109.38 1qfu n ASN 137 Ca 0.05 0.34 -0.28 0.00 0.87 0.00 0.00 54.58 55.56 1qfu n ASN 137 Cb 0.43 -3.74 0.16 0.00 -1.02 0.00 0.00 39.78 35.61 1qfu n ASN 137 CO 0.00 0.00 0.00 0.72 -1.83 0.00 0.00 177.26 176.15 1qfu s PHE 138 N -2.38 1.72 0.00 3.10 -0.71 -1.00 -4.65 117.98 114.07 1qfu s PHE 138 Ca 0.00 0.22 0.00 0.00 -1.04 0.00 0.00 56.93 56.11 1qfu s PHE 138 Cb 0.00 -3.82 0.00 0.00 -1.21 0.00 0.00 43.02 37.99 1qfu s PHE 138 CO 0.00 -2.36 0.00 0.98 -1.34 0.00 0.00 175.22 172.50 1qfu n TYR 139 N -3.52 0.00 -1.53 3.49 9.36 -0.95 -1.22 117.16 122.80 1qfu n TYR 139 Ca 0.14 0.00 -0.45 0.00 3.32 0.00 0.00 57.90 60.91 1qfu n TYR 139 Cb 0.60 0.00 -0.05 0.00 -0.63 0.00 0.00 39.34 39.26 1qfu n TYR 139 CO 0.00 0.00 0.00 -2.30 0.22 0.00 0.00 176.86 174.78 1qfu n PRO 140 N -1.98 1.43 -0.44 2.98 -0.02 -1.26 -4.66 135.00 131.05 1qfu n PRO 140 Ca 0.00 0.35 0.35 0.00 -2.02 0.00 0.00 63.50 62.18 1qfu n PRO 140 Cb 0.00 -2.90 0.56 0.00 -0.02 0.00 0.00 33.50 31.14 1qfu n PRO 140 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 1qfu n LYS 141 N 8.56 -0.01 -1.93 -0.52 4.81 -1.26 -4.16 118.16 123.64 1qfu n LYS 141 Ca 0.37 0.89 -0.43 0.00 -0.87 0.00 0.00 58.31 58.26 1qfu n LYS 141 Cb 0.36 -1.87 -0.03 0.00 0.02 0.00 0.00 35.03 33.51 1qfu n LYS 141 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 1qfu s ASP 142 N -4.14 5.88 -0.13 3.14 2.15 -1.26 -4.97 116.67 117.33 1qfu s ASP 142 Ca -0.05 1.48 -0.16 0.00 0.43 0.00 0.00 52.55 54.25 1qfu s ASP 142 Cb 0.22 -2.52 0.04 0.00 -0.30 0.00 0.00 42.92 40.36 1qfu s ASP 142 CO 0.64 -1.69 0.44 -0.51 -0.17 0.00 0.00 175.17 173.88 1qfu s ILE 143 N 6.91 0.01 -0.28 4.11 2.07 -1.26 -4.55 121.20 128.20 1qfu s ILE 143 Ca 0.83 -0.08 0.03 0.00 -1.41 0.00 0.00 60.65 60.02 1qfu s ILE 143 Cb -0.25 -0.65 0.07 0.00 0.13 0.00 0.00 42.46 41.76 1qfu s ILE 143 CO 0.34 -0.04 -0.05 0.21 -1.91 0.00 0.00 174.94 173.48 1qfu s ASN 144 N -0.12 4.49 0.25 4.50 3.84 -0.97 -4.96 114.94 121.97 1qfu s ASN 144 Ca -0.03 -1.63 -0.03 0.00 0.21 0.00 0.00 52.86 51.39 1qfu s ASN 144 Cb -0.03 -1.53 -0.05 0.00 -0.55 0.00 0.00 41.25 39.09 1qfu s ASN 144 CO 0.02 -0.26 0.47 -0.69 -2.79 0.00 0.00 177.10 173.85 1qfu s VAL 145 N 1.07 5.12 -0.20 -5.21 1.01 -1.25 0.44 120.40 121.38 1qfu s VAL 145 Ca -0.02 -0.18 -0.14 0.00 0.00 0.00 0.00 61.98 61.64 1qfu s VAL 145 Cb -0.20 -3.74 0.06 0.00 0.00 0.00 0.00 36.38 32.50 1qfu s VAL 145 CO -0.07 -0.26 0.50 -1.59 0.00 0.00 0.00 175.10 173.69 1qfu s LYS 146 N -3.47 0.54 -0.04 2.72 -2.85 0.15 -4.94 119.74 111.85 1qfu s LYS 146 Ca 0.41 0.82 -0.16 0.00 -1.00 0.00 0.00 55.97 56.05 1qfu s LYS 146 Cb -0.11 0.15 -0.05 0.00 -2.06 0.00 0.00 37.83 35.75 1qfu s LYS 146 CO 0.30 -0.12 0.42 -1.58 0.10 0.00 0.00 175.35 174.47 1qfu s TRP 147 N 0.92 3.66 -0.20 1.78 0.52 -1.25 0.83 118.94 125.20 1qfu s TRP 147 Ca -0.05 0.94 -0.05 0.00 0.02 0.00 0.00 56.10 56.96 1qfu s TRP 147 Cb -0.06 -2.36 -0.10 0.00 -1.15 0.00 0.00 33.47 29.80 1qfu s TRP 147 CO -0.08 0.50 -0.22 1.63 0.02 0.00 0.00 176.95 178.80 1qfu n LYS 148 N 2.38 0.45 -2.90 4.98 5.02 0.81 -3.06 118.16 125.85 1qfu n LYS 148 Ca -0.12 0.15 -0.02 0.00 -2.02 0.00 0.00 58.31 56.31 1qfu n LYS 148 Cb 0.52 -1.30 -0.01 0.00 -0.02 0.00 0.00 35.03 34.22 1qfu n LYS 148 CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 1qfu n ILE 149 N -3.53 -6.53 -1.08 -0.18 5.41 0.18 0.63 119.36 114.26 1qfu n ILE 149 Ca -0.37 1.23 -0.03 0.00 1.00 0.00 0.00 62.75 64.58 1qfu n ILE 149 Cb 0.82 -4.51 -0.01 0.00 -0.71 0.00 0.00 39.64 35.23 1qfu n ILE 149 CO 0.00 0.00 0.00 0.47 0.00 0.00 0.00 176.55 177.02 1qfu n ASP 150 N 1.78 -4.96 -0.70 4.38 8.00 -0.99 -2.54 116.55 121.52 1qfu n ASP 150 Ca -0.13 0.07 0.00 0.00 0.71 0.00 0.00 54.79 55.44 1qfu n ASP 150 Cb 0.30 -2.70 0.00 0.00 -0.02 0.00 0.00 41.12 38.69 1qfu n ASP 150 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1qfu n GLY 151 N -0.49 0.71 0.00 0.44 0.00 -1.23 -5.04 105.19 99.59 1qfu n GLY 151 Ca -0.03 -0.55 0.00 0.00 0.00 0.00 0.00 46.02 45.44 1qfu n GLY 151 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1qfu n SER 152 N 0.27 0.00 -3.52 1.61 3.41 0.20 -5.06 113.62 110.55 1qfu n SER 152 Ca 0.00 -0.16 -0.14 0.00 -0.26 0.00 0.00 58.87 58.31 1qfu n SER 152 Cb 0.47 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 64.38 1qfu n SER 152 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 1qfu s GLU 153 N 0.00 0.95 0.00 4.33 2.56 0.15 -5.03 118.70 121.66 1qfu s GLU 153 Ca 0.00 0.04 0.00 0.00 0.00 0.00 0.00 54.97 55.01 1qfu s GLU 153 Cb 0.00 0.45 0.00 0.00 2.00 0.00 0.00 34.13 36.58 1qfu s GLU 153 CO 0.00 -0.34 0.00 -2.13 -0.56 0.00 0.00 175.26 172.23 1qfu n ARG 154 N 0.52 3.22 0.00 4.30 0.00 -1.17 -3.62 116.66 119.90 1qfu n ARG 154 Ca -0.15 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.70 1qfu n ARG 154 Cb 0.59 -0.27 0.00 0.00 0.00 0.00 0.00 32.46 32.78 1qfu n ARG 154 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.63 178.67 1qfu n GLN 155 N 0.00 0.00 -4.50 -0.14 3.00 -1.26 -4.64 117.38 109.84 1qfu n GLN 155 Ca 0.00 0.00 -0.29 0.00 -0.01 0.00 0.00 57.00 56.70 1qfu n GLN 155 Cb 0.00 -1.29 -0.17 0.00 0.00 0.00 0.00 30.24 28.78 1qfu n GLN 155 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.06 176.26 1qfu s ASN 156 N -1.97 2.46 -1.07 1.08 0.01 -1.26 -4.90 114.94 109.29 1qfu s ASN 156 Ca 0.00 -0.44 -0.12 0.00 -0.71 0.00 0.00 52.86 51.59 1qfu s ASN 156 Cb 0.00 -1.11 -0.04 0.00 0.41 0.00 0.00 41.25 40.52 1qfu s ASN 156 CO 0.00 0.02 0.85 0.61 -1.51 0.00 0.00 177.10 177.07 1qfu n GLY 157 N 4.15 -1.10 3.11 0.66 0.00 -1.26 -4.76 105.19 105.99 1qfu n GLY 157 Ca -0.19 0.53 -0.33 0.00 0.00 0.00 0.00 46.02 46.02 1qfu n GLY 157 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1qfu s VAL 158 N -3.40 2.35 -0.14 1.61 1.01 -1.25 -2.21 120.40 118.38 1qfu s VAL 158 Ca 0.44 -1.44 -0.23 0.00 0.00 0.00 0.00 61.98 60.74 1qfu s VAL 158 Cb -0.11 -2.31 -0.03 0.00 0.00 0.00 0.00 36.38 33.94 1qfu s VAL 158 CO 0.80 0.06 0.72 -0.76 0.00 0.00 0.00 175.10 175.91 1qfu s LEU 159 N 1.17 4.21 -0.12 3.92 1.43 0.14 -4.86 118.68 124.56 1qfu s LEU 159 Ca -0.06 1.06 0.00 0.00 -1.03 0.00 0.00 54.13 54.11 1qfu s LEU 159 Cb -0.19 -3.07 0.02 0.00 0.03 0.00 0.00 46.19 42.99 1qfu s LEU 159 CO -0.05 -0.26 -0.11 0.20 0.23 0.00 0.00 176.35 176.36 1qfu s ASN 160 N 1.04 2.37 -0.12 2.29 0.02 -1.26 -0.93 114.94 118.35 1qfu s ASN 160 Ca 0.35 -0.38 -0.02 0.00 -1.02 0.00 0.00 52.86 51.79 1qfu s ASN 160 Cb -0.17 -0.98 0.04 0.00 0.02 0.00 0.00 41.25 40.16 1qfu s ASN 160 CO 0.14 -0.08 0.00 -0.44 0.02 0.00 0.00 177.10 176.73 1qfu s SER 161 N 1.54 2.09 -0.15 -1.22 0.01 -1.09 -5.02 113.70 109.87 1qfu s SER 161 Ca 0.04 -0.35 -0.08 0.00 1.31 0.00 0.00 55.95 56.87 1qfu s SER 161 Cb -0.13 -0.55 -0.04 0.00 0.21 0.00 0.00 66.02 65.51 1qfu s SER 161 CO -0.08 -0.22 0.13 0.26 0.41 0.00 0.00 173.24 173.74 1qfu s TRP 162 N 1.90 3.51 0.84 2.43 0.51 -1.26 -2.72 118.94 124.14 1qfu s TRP 162 Ca 0.03 0.43 -0.09 0.00 -2.12 0.00 0.00 56.10 54.36 1qfu s TRP 162 Cb -0.14 -2.01 0.16 0.00 -0.81 0.00 0.00 33.47 30.67 1qfu s TRP 162 CO -0.06 0.57 1.16 0.95 -0.51 0.00 0.00 176.95 179.05 1qfu s THR 163 N -0.54 2.07 0.62 2.01 -4.23 -0.76 -5.01 115.64 109.80 1qfu s THR 163 Ca 0.12 -0.29 -0.12 0.00 -1.18 0.00 0.00 61.69 60.23 1qfu s THR 163 Cb -0.12 -2.79 -0.03 0.00 1.34 0.00 0.00 72.50 70.90 1qfu s THR 163 CO 0.02 0.00 1.03 -1.81 -0.54 0.00 0.00 174.62 173.32 1qfu s ASP 164 N -4.80 6.03 0.26 3.99 1.01 -1.26 -4.65 116.67 117.24 1qfu s ASP 164 Ca 0.70 1.53 -0.31 0.00 0.71 0.00 0.00 52.55 55.18 1qfu s ASP 164 Cb -0.05 -2.49 -0.11 0.00 1.01 0.00 0.00 42.92 41.28 1qfu s ASP 164 CO 0.49 -1.00 1.60 -1.58 0.21 0.00 0.00 175.17 174.88 1qfu s GLN 165 N -4.89 4.15 0.92 8.23 0.74 -1.26 -4.76 119.66 122.79 1qfu s GLN 165 Ca 0.57 2.53 -0.10 0.00 0.05 0.00 0.00 55.36 58.41 1qfu s GLN 165 Cb -0.12 -3.06 0.15 0.00 1.10 0.00 0.00 33.01 31.08 1qfu s GLN 165 CO 0.49 -0.63 1.13 0.34 -0.55 0.00 0.00 175.29 176.07 1qfu s ASP 166 N 0.69 2.91 -0.29 6.67 -1.08 -1.23 -4.90 116.67 119.44 1qfu s ASP 166 Ca 0.66 2.06 0.08 0.00 -0.52 0.00 0.00 52.55 54.82 1qfu s ASP 166 Cb -0.47 -2.52 0.63 0.00 -1.46 0.00 0.00 42.92 39.10 1qfu s ASP 166 CO 0.42 -3.09 1.66 -1.54 0.52 0.00 0.00 175.17 173.15 1qfu n SER 167 N -4.22 4.34 0.00 -0.34 3.41 -1.26 -3.31 113.62 112.25 1qfu n SER 167 Ca 0.10 -3.06 0.00 0.00 -0.26 0.00 0.00 58.87 55.65 1qfu n SER 167 Cb 0.52 -0.72 0.00 0.00 -0.26 0.00 0.00 64.21 63.75 1qfu n SER 167 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1qfu n LYS 168 N -0.16 0.00 0.26 4.33 5.02 -1.26 -4.65 118.16 121.69 1qfu n LYS 168 Ca 0.37 0.00 0.18 0.00 -2.02 0.00 0.00 58.31 56.84 1qfu n LYS 168 Cb 1.27 0.00 0.89 0.00 -0.02 0.00 0.00 35.03 37.17 1qfu n LYS 168 CO 0.00 0.00 0.00 -0.44 -0.52 0.00 0.00 177.40 176.44 1qfu h ASP 169 N 0.00 0.00 -1.70 4.39 5.19 -1.99 -3.44 116.42 118.87 1qfu h ASP 169 Ca 0.00 0.00 -0.36 0.00 -0.62 0.00 0.00 57.03 56.05 1qfu h ASP 169 Cb 0.00 0.00 -0.11 0.00 0.18 0.00 0.00 39.33 39.40 1qfu h ASP 169 CO 0.00 0.00 -0.36 -1.20 -3.12 0.00 0.00 179.24 174.56 1qfu n SER 170 N -3.39 -4.82 -1.25 6.45 7.64 -1.21 -4.92 113.62 112.12 1qfu n SER 170 Ca 0.00 0.34 0.00 0.00 1.01 0.00 0.00 58.87 60.23 1qfu n SER 170 Cb 0.33 -4.25 0.00 0.00 -1.01 0.00 0.00 64.21 59.28 1qfu n SER 170 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1qfu n THR 171 N -2.59 0.00 -3.71 0.44 -2.24 -1.26 -4.64 114.28 100.28 1qfu n THR 171 Ca -0.19 0.00 -0.09 0.00 -2.27 0.00 0.00 64.05 61.50 1qfu n THR 171 Cb 0.60 0.00 -0.02 0.00 -2.10 0.00 0.00 70.33 68.81 1qfu n THR 171 CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 1qfu s TYR 172 N 1.56 -0.29 0.04 4.78 2.02 -0.35 -3.50 117.35 121.61 1qfu s TYR 172 Ca 0.00 -0.07 -0.16 0.00 -0.37 0.00 0.00 57.07 56.47 1qfu s TYR 172 Cb 0.00 0.63 0.03 0.00 -0.40 0.00 0.00 41.96 42.21 1qfu s TYR 172 CO 0.00 -1.08 0.35 -1.12 -1.57 0.00 0.00 175.55 172.13 1qfu s SER 173 N -2.86 -0.19 0.22 2.29 0.01 -1.26 -0.57 113.70 111.34 1qfu s SER 173 Ca 0.08 -0.11 -0.06 0.00 1.31 0.00 0.00 55.95 57.17 1qfu s SER 173 Cb -0.04 0.39 -0.02 0.00 0.21 0.00 0.00 66.02 66.55 1qfu s SER 173 CO -0.00 -0.64 0.28 -0.32 0.41 0.00 0.00 173.24 172.97 1qfu s MET 174 N -2.51 1.35 -0.18 12.44 1.75 -1.16 -1.83 119.30 129.16 1qfu s MET 174 Ca -0.05 -1.46 -0.10 0.00 -1.25 0.00 0.00 55.69 52.82 1qfu s MET 174 Cb -0.01 0.36 0.06 0.00 2.84 0.00 0.00 34.83 38.08 1qfu s MET 174 CO -0.03 -0.50 0.45 -1.54 -0.65 0.00 0.00 175.02 172.75 1qfu s SER 175 N -3.10 -0.57 -0.07 1.11 1.04 -1.10 -3.24 113.70 107.78 1qfu s SER 175 Ca 0.32 0.97 0.05 0.00 0.48 0.00 0.00 55.95 57.77 1qfu s SER 175 Cb 0.04 0.86 -0.01 0.00 0.10 0.00 0.00 66.02 67.00 1qfu s SER 175 CO 0.11 -0.20 -0.23 -0.55 0.98 0.00 0.00 173.24 173.35 1qfu s SER 176 N 1.36 3.24 -0.19 7.02 0.15 0.13 -2.65 113.70 122.76 1qfu s SER 176 Ca -0.09 -0.47 0.00 0.00 0.70 0.00 0.00 55.95 56.09 1qfu s SER 176 Cb -0.08 -0.94 0.04 0.00 -1.71 0.00 0.00 66.02 63.33 1qfu s SER 176 CO -0.13 0.24 -0.08 -0.89 1.20 0.00 0.00 173.24 173.58 1qfu s THR 177 N -0.14 1.42 -0.24 6.45 2.01 -0.10 -0.48 115.64 124.55 1qfu s THR 177 Ca -0.04 -0.86 -0.10 0.00 0.31 0.00 0.00 61.69 61.01 1qfu s THR 177 Cb -0.14 -1.54 -0.05 0.00 0.01 0.00 0.00 72.50 70.78 1qfu s THR 177 CO 0.04 0.15 0.15 -0.22 -0.69 0.00 0.00 174.62 174.05 1qfu s LEU 178 N 1.49 4.05 -0.18 4.42 2.96 0.71 0.24 118.68 132.36 1qfu s LEU 178 Ca -0.00 0.08 -0.00 0.00 -0.22 0.00 0.00 54.13 53.99 1qfu s LEU 178 Cb -0.16 -2.08 0.05 0.00 0.50 0.00 0.00 46.19 44.49 1qfu s LEU 178 CO -0.08 0.06 -0.05 0.28 -1.32 0.00 0.00 176.35 175.24 1qfu s THR 179 N 1.07 1.20 0.36 3.68 -1.32 -0.94 0.23 115.64 119.92 1qfu s THR 179 Ca 0.07 -0.77 0.06 0.00 -1.21 0.00 0.00 61.69 59.84 1qfu s THR 179 Cb -0.14 -1.40 -0.07 0.00 -1.51 0.00 0.00 72.50 69.38 1qfu s THR 179 CO 0.04 0.07 0.01 -0.76 -2.21 0.00 0.00 174.62 171.77 1qfu s LEU 180 N 1.58 2.59 0.95 9.08 1.02 -0.96 -4.85 118.68 128.09 1qfu s LEU 180 Ca -0.01 -1.33 -0.11 0.00 0.02 0.00 0.00 54.13 52.69 1qfu s LEU 180 Cb -0.16 -0.71 0.16 0.00 0.02 0.00 0.00 46.19 45.51 1qfu s LEU 180 CO -0.07 -0.47 1.09 0.42 0.02 0.00 0.00 176.35 177.34 1qfu s THR 181 N -2.93 2.42 0.14 5.49 -4.23 -1.26 -0.06 115.64 115.21 1qfu s THR 181 Ca 0.35 0.14 -0.12 0.00 -1.18 0.00 0.00 61.69 60.87 1qfu s THR 181 Cb 0.08 -2.42 -0.03 0.00 1.34 0.00 0.00 72.50 71.47 1qfu s THR 181 CO 0.16 -0.18 1.51 0.50 -0.54 0.00 0.00 174.62 176.07 1qfu h LYS 182 N -1.84 0.88 0.39 3.99 3.64 -1.83 -2.08 116.57 119.72 1qfu h LYS 182 Ca -0.50 -0.40 -0.01 0.00 -1.27 0.00 0.00 60.65 58.47 1qfu h LYS 182 Cb 1.29 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 33.07 1qfu h LYS 182 CO 0.50 1.05 -0.46 0.22 -2.27 0.00 0.00 179.45 178.50 1qfu h ASP 183 N 0.70 -1.27 -0.60 4.20 3.58 -1.92 -1.73 116.42 119.38 1qfu h ASP 183 Ca 0.09 0.11 0.09 0.00 0.42 0.00 0.00 57.03 57.73 1qfu h ASP 183 Cb 0.80 0.43 -0.07 0.00 1.72 0.00 0.00 39.33 42.21 1qfu h ASP 183 CO 0.07 -0.58 0.24 -0.08 -2.88 0.00 0.00 179.24 176.01 1qfu h GLU 184 N -0.86 0.42 -0.01 0.28 4.57 -1.93 -2.87 114.58 114.18 1qfu h GLU 184 Ca -0.05 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.11 1qfu h GLU 184 Cb 0.76 -0.10 -0.00 0.00 -0.16 0.00 0.00 28.75 29.26 1qfu h GLU 184 CO -0.09 0.28 0.00 -0.92 -1.18 0.00 0.00 179.01 177.10 1qfu h TYR 185 N 0.43 0.00 0.00 0.92 3.20 -1.23 -2.27 116.97 118.03 1qfu h TYR 185 Ca 0.30 0.00 -0.00 0.00 3.14 0.00 0.00 58.73 62.16 1qfu h TYR 185 Cb 0.34 0.00 -0.00 0.00 1.54 0.00 0.00 36.73 38.61 1qfu h TYR 185 CO -0.15 0.00 -0.02 0.93 -1.64 0.00 0.00 178.16 177.28 1qfu h GLU 186 N 0.01 0.00 -0.98 1.82 4.39 -1.14 -2.87 114.58 115.81 1qfu h GLU 186 Ca 0.01 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.67 1qfu h GLU 186 Cb 0.00 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.63 1qfu h GLU 186 CO -0.01 0.02 0.04 -2.13 -1.16 0.00 0.00 179.01 175.77 1qfu n ARG 187 N -3.49 1.31 -3.51 2.33 0.63 -0.85 -4.82 116.66 108.25 1qfu n ARG 187 Ca -0.03 -0.38 -0.09 0.00 -0.92 0.00 0.00 57.85 56.44 1qfu n ARG 187 Cb 0.11 -1.36 -0.02 0.00 0.45 0.00 0.00 32.46 31.64 1qfu n ARG 187 CO 0.00 0.00 0.00 -1.01 -2.51 0.00 0.00 177.63 174.11 1qfu s HIS 188 N -0.79 -0.35 -0.08 -0.14 3.76 -1.08 -5.05 115.29 111.56 1qfu s HIS 188 Ca 0.07 0.27 -0.03 0.00 -0.15 0.00 0.00 55.06 55.21 1qfu s HIS 188 Cb 0.06 0.53 0.05 0.00 1.11 0.00 0.00 32.58 34.32 1qfu s HIS 188 CO 0.02 -0.52 0.17 1.21 -0.85 0.00 0.00 174.74 174.77 1qfu s ASN 189 N -2.31 0.35 0.00 1.40 3.04 -1.26 -4.73 114.94 111.44 1qfu s ASN 189 Ca 0.04 0.35 0.00 0.00 0.04 0.00 0.00 52.86 53.29 1qfu s ASN 189 Cb -0.01 0.28 0.00 0.00 -1.54 0.00 0.00 41.25 39.98 1qfu s ASN 189 CO -0.07 -0.21 0.00 -1.54 -3.04 0.00 0.00 177.10 172.24 1qfu n SER 190 N 4.86 0.00 -0.03 -4.21 3.41 -1.25 -4.44 113.62 111.95 1qfu n SER 190 Ca -0.14 0.00 -0.06 0.00 -0.26 0.00 0.00 58.87 58.41 1qfu n SER 190 Cb 0.51 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.43 1qfu n SER 190 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 1qfu n TYR 191 N 0.25 0.00 -2.39 7.33 4.01 -1.26 -2.36 117.16 122.74 1qfu n TYR 191 Ca 0.00 0.00 -0.01 0.00 -0.16 0.00 0.00 57.90 57.73 1qfu n TYR 191 Cb 0.00 -0.22 -0.01 0.00 -0.31 0.00 0.00 39.34 38.80 1qfu n TYR 191 CO 0.00 0.00 0.00 0.25 -0.46 0.00 0.00 176.86 176.65 1qfu n THR 192 N -3.14-11.23 -3.51 -0.72 -2.24 -1.22 -0.13 114.28 92.09 1qfu n THR 192 Ca -0.12 2.60 -0.42 0.00 -2.27 0.00 0.00 64.05 63.84 1qfu n THR 192 Cb 0.59 -5.48 -0.10 0.00 -2.10 0.00 0.00 70.33 63.24 1qfu n THR 192 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1qfu s GLU 194 N 1.58 2.75 -0.29 0.00 2.12 0.24 -1.35 118.70 123.75 1qfu s GLU 194 Ca 0.03 -1.08 -0.11 0.00 0.36 0.00 0.00 54.97 54.18 1qfu s GLU 194 Cb -0.21 -3.34 -0.03 0.00 0.26 0.00 0.00 34.13 30.81 1qfu s GLU 194 CO 0.07 -0.57 0.18 0.00 -0.54 0.00 0.00 175.26 174.40 1qfu s ALA 195 N 1.40 3.43 -1.07 6.30 0.00 0.55 0.34 121.76 132.72 1qfu s ALA 195 Ca -0.01 -1.21 -0.05 0.00 0.00 0.00 0.00 51.96 50.69 1qfu s ALA 195 Cb -0.19 -2.45 0.30 0.00 0.00 0.00 0.00 23.12 20.78 1qfu s ALA 195 CO 0.01 -0.70 1.32 2.41 0.00 0.00 0.00 175.76 178.81 1qfu n THR 196 N 5.04 4.91 -3.55 0.00 -1.04 0.17 -1.85 114.28 117.96 1qfu n THR 196 Ca -0.14 -5.72 -0.41 0.00 -2.04 0.00 0.00 64.05 55.74 1qfu n THR 196 Cb 0.51 -2.24 -0.11 0.00 -1.82 0.00 0.00 70.33 66.68 1qfu n THR 196 CO 0.00 0.00 0.00 -2.28 -0.64 0.00 0.00 175.07 172.15 1qfu s HIS 197 N -2.30 3.23 -0.82 -1.42 2.46 -1.26 -2.29 115.29 112.89 1qfu s HIS 197 Ca 0.31 -0.60 -0.20 0.00 0.47 0.00 0.00 55.06 55.04 1qfu s HIS 197 Cb 0.01 -2.48 -0.18 0.00 -0.13 0.00 0.00 32.58 29.79 1qfu s HIS 197 CO 0.04 -0.53 2.00 1.63 -2.47 0.00 0.00 174.74 175.41 1qfu n LYS 198 N 5.07 0.18 0.00 2.88 4.01 -1.26 -3.00 118.16 126.04 1qfu n LYS 198 Ca -0.12 -1.04 0.00 0.00 -0.51 0.00 0.00 58.31 56.64 1qfu n LYS 198 Cb 0.48 -3.11 0.00 0.00 -0.51 0.00 0.00 35.03 31.89 1qfu n LYS 198 CO 0.00 0.00 0.00 -2.37 -1.11 0.00 0.00 177.40 173.92 1qfu n THR 199 N 7.92 0.00 -4.22 -0.18 5.66 -1.26 -5.00 114.28 117.19 1qfu n THR 199 Ca 0.38 0.00 -0.32 0.00 -3.05 0.00 0.00 64.05 61.06 1qfu n THR 199 Cb 0.44 0.00 -0.08 0.00 -1.55 0.00 0.00 70.33 69.13 1qfu n THR 199 CO 0.00 0.00 0.00 -0.44 -3.05 0.00 0.00 175.07 171.58 1qfu s SER 200 N -1.03 5.08 0.00 1.09 0.01 -1.16 -5.01 113.70 112.67 1qfu s SER 200 Ca 0.00 -0.08 0.23 0.00 1.31 0.00 0.00 55.95 57.41 1qfu s SER 200 Cb 0.00 -1.28 1.26 0.00 0.21 0.00 0.00 66.02 66.21 1qfu s SER 200 CO 0.00 0.24 1.82 0.35 0.41 0.00 0.00 173.24 176.06 1qfu n THR 201 N 1.05 0.03 -3.62 1.44 -2.24 -1.26 -4.65 114.28 105.03 1qfu n THR 201 Ca -0.13 -0.07 -0.28 0.00 -2.27 0.00 0.00 64.05 61.30 1qfu n THR 201 Cb 0.52 -0.18 -0.16 0.00 -2.10 0.00 0.00 70.33 68.41 1qfu n THR 201 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1qfu s SER 202 N -1.72 3.00 -0.50 3.42 1.04 -1.26 -5.10 113.70 112.59 1qfu s SER 202 Ca 0.34 -0.98 -0.46 0.00 0.48 0.00 0.00 55.95 55.34 1qfu s SER 202 Cb 0.16 -0.39 -0.19 0.00 0.10 0.00 0.00 66.02 65.70 1qfu s SER 202 CO 0.27 -0.38 1.75 -2.65 0.98 0.00 0.00 173.24 173.21 1qfu n PRO 203 N 5.20 0.00 -2.22 4.02 -0.02 -1.26 -4.79 135.00 135.93 1qfu n PRO 203 Ca -0.07 0.00 -0.43 0.00 -2.02 0.00 0.00 63.50 60.99 1qfu n PRO 203 Cb 0.46 -1.49 -0.02 0.00 -0.02 0.00 0.00 33.50 32.43 1qfu n PRO 203 CO 0.00 0.00 0.00 -1.50 1.98 0.00 0.00 175.50 175.98 1qfu s ILE 204 N 3.90 3.76 -0.01 4.25 1.10 -0.77 -4.86 121.20 128.57 1qfu s ILE 204 Ca 1.09 0.79 0.08 0.00 -0.51 0.00 0.00 60.65 62.09 1qfu s ILE 204 Cb -1.49 -3.97 -0.02 0.00 0.15 0.00 0.00 42.46 37.13 1qfu s ILE 204 CO 0.76 -0.59 -0.24 -0.69 -2.11 0.00 0.00 174.94 172.07 1qfu s VAL 205 N 5.81 2.21 -0.02 4.00 1.01 -1.26 -0.33 120.40 131.82 1qfu s VAL 205 Ca 0.68 -1.10 0.02 0.00 0.00 0.00 0.00 61.98 61.58 1qfu s VAL 205 Cb -0.18 -1.79 0.00 0.00 0.00 0.00 0.00 36.38 34.42 1qfu s VAL 205 CO 0.32 0.55 -0.06 -0.54 0.00 0.00 0.00 175.10 175.37 1qfu s LYS 206 N -0.73 0.64 0.26 2.72 -0.14 -0.46 -4.97 119.74 117.07 1qfu s LYS 206 Ca 0.11 -0.19 -0.02 0.00 -1.36 0.00 0.00 55.97 54.51 1qfu s LYS 206 Cb -0.10 -0.64 -0.03 0.00 -1.68 0.00 0.00 37.83 35.39 1qfu s LYS 206 CO -0.00 0.07 0.27 -1.12 -0.76 0.00 0.00 175.35 173.81 1qfu s SER 207 N 0.22 0.52 0.26 2.83 0.01 -1.26 0.06 113.70 116.34 1qfu s SER 207 Ca -0.03 -1.39 -0.15 0.00 1.31 0.00 0.00 55.95 55.69 1qfu s SER 207 Cb -0.07 0.49 0.00 0.00 0.21 0.00 0.00 66.02 66.66 1qfu s SER 207 CO -0.00 -1.01 0.54 0.72 0.41 0.00 0.00 173.24 173.90 1qfu s PHE 208 N -3.83 0.23 0.04 2.43 -0.71 -1.26 -4.96 117.98 109.92 1qfu s PHE 208 Ca 0.35 -0.62 0.05 0.00 -1.04 0.00 0.00 56.93 55.68 1qfu s PHE 208 Cb 0.04 0.32 -0.03 0.00 -1.21 0.00 0.00 43.02 42.13 1qfu s PHE 208 CO 0.16 -1.05 -0.11 -0.80 -1.34 0.00 0.00 175.22 172.08 1qfu s ASN 209 N -3.00 4.33 0.21 1.98 -0.87 -1.26 -3.94 114.94 112.40 1qfu s ASN 209 Ca 0.20 -0.29 0.21 0.00 -1.57 0.00 0.00 52.86 51.41 1qfu s ASN 209 Cb -0.02 -0.88 0.91 0.00 -0.02 0.00 0.00 41.25 41.23 1qfu s ASN 209 CO 0.09 0.25 1.63 0.54 -2.57 0.00 0.00 177.10 177.04 1qfu n ARG 210 N 1.33 0.15 0.00 -0.60 5.12 -1.26 -4.99 116.66 116.40 1qfu n ARG 210 Ca -0.15 0.43 0.00 0.00 -1.93 0.00 0.00 57.85 56.19 1qfu n ARG 210 Cb 0.52 -1.81 0.00 0.00 -1.16 0.00 0.00 32.46 30.02 1qfu n ARG 210 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79