#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hwf h ARG 12 N 0.00 0.51 -6.02 -0.67 0.11 -1.93 -3.48 114.38 102.91 2hwf h ARG 12 Ca 0.00 -0.87 -0.65 0.00 0.10 0.00 0.00 59.98 58.55 2hwf h ARG 12 Cb 0.00 0.33 0.13 0.00 1.11 0.00 0.00 29.97 31.53 2hwf h ARG 12 CO 0.00 1.42 -0.65 -0.89 0.10 0.00 0.00 179.97 179.95 2hwf n ILE 13 N -3.70 1.57 -3.97 0.08 5.41 -1.26 -4.04 119.36 113.46 2hwf n ILE 13 Ca -0.19 -0.50 -0.09 0.00 1.00 0.00 0.00 62.75 62.97 2hwf n ILE 13 Cb 1.10 -0.03 -0.11 0.00 -0.71 0.00 0.00 39.64 39.89 2hwf n ILE 13 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 176.55 176.23 2hwf s MET 14 N -1.02 0.32 -0.04 0.38 -2.45 -0.42 -4.97 119.30 111.10 2hwf s MET 14 Ca 0.62 -0.58 0.03 0.00 -1.25 0.00 0.00 55.69 54.51 2hwf s MET 14 Cb -0.83 0.12 0.00 0.00 1.25 0.00 0.00 34.83 35.37 2hwf s MET 14 CO 0.58 -0.05 -0.14 -1.14 1.05 0.00 0.00 175.02 175.32 2hwf s GLN 15 N -1.43 1.49 -0.01 4.11 0.74 -1.26 -2.52 119.66 120.77 2hwf s GLN 15 Ca -0.16 -0.48 0.01 0.00 0.05 0.00 0.00 55.36 54.79 2hwf s GLN 15 Cb -0.10 -1.31 0.00 0.00 1.10 0.00 0.00 33.01 32.71 2hwf s GLN 15 CO -0.01 0.17 -0.04 0.42 -0.55 0.00 0.00 175.29 175.28 2hwf s ILE 16 N 0.18 0.35 -0.06 -2.34 1.01 -0.42 -5.01 121.20 114.91 2hwf s ILE 16 Ca -0.05 -0.15 0.01 0.00 0.00 0.00 0.00 60.65 60.46 2hwf s ILE 16 Cb -0.11 -0.32 0.02 0.00 0.01 0.00 0.00 42.46 42.06 2hwf s ILE 16 CO 0.02 0.12 -0.06 0.28 0.00 0.00 0.00 174.94 175.30 2hwf s THR 17 N 0.12 0.67 0.00 2.92 -1.32 -1.26 -1.29 115.64 115.48 2hwf s THR 17 Ca -0.01 -0.17 0.00 0.00 -1.21 0.00 0.00 61.69 60.30 2hwf s THR 17 Cb -0.04 -0.69 0.00 0.00 -1.51 0.00 0.00 72.50 70.26 2hwf s THR 17 CO -0.00 0.27 0.00 0.54 -2.21 0.00 0.00 174.62 173.21 2hwf n ARG 18 N 4.22 0.00 0.00 7.08 5.12 -0.30 -5.01 116.66 127.78 2hwf n ARG 18 Ca -0.21 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.71 2hwf n ARG 18 Cb 0.51 -0.72 0.00 0.00 -1.16 0.00 0.00 32.46 31.09 2hwf n ARG 18 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2hwf n GLY 19 N 2.98 1.77 0.72 -0.13 0.00 -1.26 -4.51 105.19 104.76 2hwf n GLY 19 Ca 0.00 -0.01 0.13 0.00 0.00 0.00 0.00 46.02 46.14 2hwf n GLY 19 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2hwf n ASP 20 N 0.00 2.30 -4.54 1.61 9.92 -1.26 -4.86 116.55 119.71 2hwf n ASP 20 Ca 0.00 -1.74 -0.32 0.00 -0.53 0.00 0.00 54.79 52.19 2hwf n ASP 20 Cb 0.00 0.03 -0.12 0.00 -0.64 0.00 0.00 41.12 40.39 2hwf n ASP 20 CO 0.00 0.00 0.00 -0.94 0.13 0.00 0.00 177.20 176.39 2hwf s SER 21 N -2.04 4.36 0.02 -2.24 1.04 -1.26 -5.10 113.70 108.47 2hwf s SER 21 Ca 0.31 -0.18 -0.02 0.00 0.48 0.00 0.00 55.95 56.55 2hwf s SER 21 Cb 0.20 -0.96 -0.02 0.00 0.10 0.00 0.00 66.02 65.34 2hwf s SER 21 CO 0.33 0.31 0.00 -0.89 0.98 0.00 0.00 173.24 173.98 2hwf s THR 22 N -0.89 0.11 0.01 2.02 2.01 -1.26 -1.15 115.64 116.49 2hwf s THR 22 Ca 0.15 -0.89 0.04 0.00 0.31 0.00 0.00 61.69 61.29 2hwf s THR 22 Cb -0.11 -0.34 -0.01 0.00 0.01 0.00 0.00 72.50 72.05 2hwf s THR 22 CO 0.04 -0.49 -0.12 -0.63 -0.69 0.00 0.00 174.62 172.74 2hwf s ILE 23 N -1.53 0.91 0.21 1.82 1.01 -0.41 -4.99 121.20 118.22 2hwf s ILE 23 Ca -0.15 -0.69 0.06 0.00 0.00 0.00 0.00 60.65 59.86 2hwf s ILE 23 Cb -0.09 -0.80 -0.05 0.00 0.01 0.00 0.00 42.46 41.53 2hwf s ILE 23 CO -0.01 0.10 -0.09 -0.94 0.00 0.00 0.00 174.94 174.01 2hwf s SER 24 N -0.67 2.30 -0.30 3.58 1.04 -1.26 -1.30 113.70 117.08 2hwf s SER 24 Ca 0.02 -1.10 0.05 0.00 0.48 0.00 0.00 55.95 55.40 2hwf s SER 24 Cb -0.06 -0.09 0.19 0.00 0.10 0.00 0.00 66.02 66.16 2hwf s SER 24 CO 0.00 -0.31 0.54 -0.55 0.98 0.00 0.00 173.24 173.89 2hwf s SER 25 N -3.31 -0.97 0.00 7.02 0.15 -1.05 -5.02 113.70 110.53 2hwf s SER 25 Ca 0.24 -0.11 0.04 0.00 0.70 0.00 0.00 55.95 56.81 2hwf s SER 25 Cb 0.02 1.72 0.22 0.00 -1.71 0.00 0.00 66.02 66.28 2hwf s SER 25 CO 0.07 -0.30 0.57 0.47 1.20 0.00 0.00 173.24 175.25 2hwf n ASP 26 N 5.28 0.00 -3.62 5.45 9.92 -1.26 -1.29 116.55 131.02 2hwf n ASP 26 Ca 0.04 -0.34 -0.13 0.00 -0.53 0.00 0.00 54.79 53.83 2hwf n ASP 26 Cb 0.53 0.00 -0.07 0.00 -0.64 0.00 0.00 41.12 40.94 2hwf n ASP 26 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 2hwf s ASP 27 N -1.89 -0.67 0.06 -2.24 -1.08 -1.26 -4.41 116.67 105.17 2hwf s ASP 27 Ca 0.06 1.26 -0.28 0.00 -0.52 0.00 0.00 52.55 53.06 2hwf s ASP 27 Cb 0.03 1.26 0.09 0.00 -1.46 0.00 0.00 42.92 42.83 2hwf s ASP 27 CO 0.04 -0.26 1.07 0.68 0.52 0.00 0.00 175.17 177.22 2hwf s VAL 28 N 0.20 0.00 -0.41 1.11 -7.23 -1.26 -4.44 120.40 108.37 2hwf s VAL 28 Ca -0.00 -0.39 0.04 0.00 -1.81 0.00 0.00 61.98 59.81 2hwf s VAL 28 Cb -0.05 -1.79 0.11 0.00 0.56 0.00 0.00 36.38 35.22 2hwf s VAL 28 CO 0.00 0.00 0.14 0.00 -0.31 0.00 0.00 175.10 174.93 2hwf s ALA 29 N -2.94 2.99 0.00 1.32 0.00 -1.26 -4.80 121.76 117.07 2hwf s ALA 29 Ca 0.12 -2.80 0.00 0.00 0.00 0.00 0.00 51.96 49.28 2hwf s ALA 29 Cb 0.01 -2.03 0.00 0.00 0.00 0.00 0.00 23.12 21.10 2hwf s ALA 29 CO -0.02 -1.83 0.00 -1.71 0.00 0.00 0.00 175.76 172.21 2hwf n ASN 30 N 3.80 0.00 -3.57 0.00 4.05 -1.26 -4.65 115.26 113.63 2hwf n ASN 30 Ca 0.04 0.00 -0.06 0.00 0.45 0.00 0.00 54.58 55.01 2hwf n ASN 30 Cb 0.38 0.00 -0.02 0.00 1.23 0.00 0.00 39.78 41.37 2hwf n ASN 30 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 2hwf s ALA 31 N -0.40 -1.83 -0.01 5.20 0.00 -1.26 -4.73 121.76 118.73 2hwf s ALA 31 Ca 0.00 0.86 0.01 0.00 0.00 0.00 0.00 51.96 52.83 2hwf s ALA 31 Cb 0.00 0.41 -0.00 0.00 0.00 0.00 0.00 23.12 23.53 2hwf s ALA 31 CO 0.00 -0.78 -0.03 0.08 0.00 0.00 0.00 175.76 175.03 2hwf s VAL 32 N -3.06 0.28 -0.23 0.00 1.01 -0.34 -5.04 120.40 113.02 2hwf s VAL 32 Ca 0.07 -0.14 -0.05 0.00 0.00 0.00 0.00 61.98 61.87 2hwf s VAL 32 Cb -0.01 -0.25 -0.01 0.00 0.00 0.00 0.00 36.38 36.11 2hwf s VAL 32 CO -0.06 0.09 -0.00 -0.69 0.00 0.00 0.00 175.10 174.44 2hwf s VAL 33 N 0.02 3.66 -0.08 2.92 1.01 -1.26 -1.49 120.40 125.17 2hwf s VAL 33 Ca 0.00 -0.43 -0.29 0.00 0.00 0.00 0.00 61.98 61.26 2hwf s VAL 33 Cb -0.03 -2.70 -0.07 0.00 0.00 0.00 0.00 36.38 33.59 2hwf s VAL 33 CO -0.00 0.37 2.02 -0.83 0.00 0.00 0.00 175.10 176.66 2hwf s GLY 34 N 1.51 1.09 -1.80 4.51 0.00 -0.30 -2.18 107.32 110.14 2hwf s GLY 34 Ca 0.06 1.05 0.00 0.00 0.00 0.00 0.00 44.72 45.82 2hwf s GLY 34 CO -0.01 3.55 0.00 -1.72 0.00 0.00 0.00 173.10 174.92 2hwf n TYR 35 N 9.13 -0.28 -2.53 1.90 4.01 -1.26 -2.40 117.16 125.72 2hwf n TYR 35 Ca 0.23 0.00 -0.20 0.00 -0.16 0.00 0.00 57.90 57.78 2hwf n TYR 35 Cb 0.43 -3.25 -0.00 0.00 -0.31 0.00 0.00 39.34 36.21 2hwf n TYR 35 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2hwf n GLY 36 N -0.84 -0.50 3.32 2.72 0.00 -0.93 -4.99 105.19 103.97 2hwf n GLY 36 Ca -0.19 0.02 -0.32 0.00 0.00 0.00 0.00 46.02 45.54 2hwf n GLY 36 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2hwf s VAL 37 N -2.99 2.28 -0.11 1.61 1.01 -1.01 -5.07 120.40 116.11 2hwf s VAL 37 Ca 0.06 -1.00 -0.14 0.00 0.00 0.00 0.00 61.98 60.90 2hwf s VAL 37 Cb -0.03 -1.84 -0.05 0.00 0.00 0.00 0.00 36.38 34.47 2hwf s VAL 37 CO 0.07 0.57 0.33 0.86 0.00 0.00 0.00 175.10 176.94 2hwf s TRP 38 N -0.33 3.55 0.30 5.22 -0.11 -1.26 -4.08 118.94 122.24 2hwf s TRP 38 Ca 0.02 0.73 -0.30 0.00 1.22 0.00 0.00 56.10 57.77 2hwf s TRP 38 Cb -0.12 -2.32 -0.12 0.00 -1.50 0.00 0.00 33.47 29.41 2hwf s TRP 38 CO 0.02 0.37 1.59 -0.35 -4.62 0.00 0.00 176.95 173.96 2hwf n PRO 39 N 3.01 2.71 -3.86 5.86 -0.04 -1.26 -4.89 135.00 136.53 2hwf n PRO 39 Ca -0.12 0.96 -0.09 0.00 -0.04 0.00 0.00 63.50 64.21 2hwf n PRO 39 Cb 0.52 -2.74 0.01 0.00 -0.04 0.00 0.00 33.50 31.25 2hwf n PRO 39 CO 0.00 0.00 0.00 -3.38 -0.04 0.00 0.00 175.50 172.08 2hwf s HIS 40 N -0.12 0.21 0.37 0.54 -3.43 -1.26 -4.89 115.29 106.70 2hwf s HIS 40 Ca 0.63 -0.79 -0.22 0.00 -0.80 0.00 0.00 55.06 53.88 2hwf s HIS 40 Cb -0.49 0.69 -0.10 0.00 -1.43 0.00 0.00 32.58 31.24 2hwf s HIS 40 CO 0.50 -1.46 0.91 0.71 -2.00 0.00 0.00 174.74 173.41 2hwf s TYR 41 N -2.66 3.47 0.31 0.38 1.51 -1.26 -4.92 117.35 114.17 2hwf s TYR 41 Ca 0.17 1.62 -0.29 0.00 -1.01 0.00 0.00 57.07 57.55 2hwf s TYR 41 Cb -0.05 -2.83 -0.11 0.00 -0.11 0.00 0.00 41.96 38.87 2hwf s TYR 41 CO 0.12 0.05 1.44 -1.17 -1.11 0.00 0.00 175.55 174.87 2hwf s LEU 42 N -2.70 4.37 -0.10 -1.29 2.96 -1.26 -5.04 118.68 115.63 2hwf s LEU 42 Ca 0.56 2.81 -0.14 0.00 -0.22 0.00 0.00 54.13 57.13 2hwf s LEU 42 Cb -0.13 -3.64 -0.05 0.00 0.50 0.00 0.00 46.19 42.87 2hwf s LEU 42 CO 0.18 -0.73 0.34 0.28 -1.32 0.00 0.00 176.35 175.10 2hwf s THR 43 N -0.57 5.22 -1.98 3.68 -1.32 -1.26 -4.99 115.64 114.42 2hwf s THR 43 Ca 0.56 0.67 0.00 0.00 -1.21 0.00 0.00 61.69 61.71 2hwf s THR 43 Cb -0.43 -3.66 0.00 0.00 -1.51 0.00 0.00 72.50 66.89 2hwf s THR 43 CO 0.51 0.46 0.06 -0.81 -2.21 0.00 0.00 174.62 172.63 2hwf n PRO 44 N 2.86 0.00 -0.10 7.08 -0.04 -1.26 -1.18 135.00 142.36 2hwf n PRO 44 Ca -0.13 0.00 -0.17 0.00 -0.04 0.00 0.00 63.50 63.16 2hwf n PRO 44 Cb 0.52 -1.06 -0.06 0.00 -0.04 0.00 0.00 33.50 32.87 2hwf n PRO 44 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 2hwf n GLN 45 N -0.55 0.51 0.04 0.54 3.00 -1.26 -4.48 117.38 115.17 2hwf n GLN 45 Ca 0.00 0.21 0.14 0.00 -0.01 0.00 0.00 57.00 57.34 2hwf n GLN 45 Cb 0.00 -1.37 0.53 0.00 0.00 0.00 0.00 30.24 29.40 2hwf n GLN 45 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.06 176.81 2hwf n ASP 46 N -4.26 0.32 -4.08 1.08 8.00 -0.87 -4.88 116.55 111.87 2hwf n ASP 46 Ca -0.31 0.52 -0.29 0.00 0.71 0.00 0.00 54.79 55.42 2hwf n ASP 46 Cb 0.66 -0.60 0.26 0.00 -0.02 0.00 0.00 41.12 41.42 2hwf n ASP 46 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2hwf s ALA 47 N -3.04 -0.48 0.00 2.24 0.00 -0.32 -4.68 121.76 115.48 2hwf s ALA 47 Ca 0.13 -0.47 0.00 0.00 0.00 0.00 0.00 51.96 51.61 2hwf s ALA 47 Cb 0.16 -3.10 0.00 0.00 0.00 0.00 0.00 23.12 20.19 2hwf s ALA 47 CO 0.56 -4.08 0.00 -2.37 0.00 0.00 0.00 175.76 169.87 2hwf n THR 48 N -5.15 0.00 -0.29 0.00 5.66 -1.26 -5.02 114.28 108.21 2hwf n THR 48 Ca 0.07 0.00 -0.17 0.00 -3.05 0.00 0.00 64.05 60.90 2hwf n THR 48 Cb 0.57 0.00 0.16 0.00 -1.55 0.00 0.00 70.33 69.51 2hwf n THR 48 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2hwf n ALA 49 N -1.21 -2.76 0.00 1.79 0.00 -1.26 -5.01 120.51 112.06 2hwf n ALA 49 Ca 0.00 -0.89 0.00 0.00 0.00 0.00 0.00 53.44 52.55 2hwf n ALA 49 Cb 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 19.45 19.37 2hwf n ALA 49 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 2hwf n ILE 50 N -4.44 0.00 -2.16 0.00 5.41 -1.26 -5.08 119.36 111.83 2hwf n ILE 50 Ca 0.08 -0.08 -0.29 0.00 1.00 0.00 0.00 62.75 63.45 2hwf n ILE 50 Cb 0.34 0.60 0.01 0.00 -0.71 0.00 0.00 39.64 39.88 2hwf n ILE 50 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.55 177.09 2hwf s ASN 51 N -0.48 6.12 -0.45 4.38 6.03 -1.26 -5.02 114.94 124.27 2hwf s ASN 51 Ca 0.00 1.18 -0.28 0.00 -1.03 0.00 0.00 52.86 52.73 2hwf s ASN 51 Cb 0.00 -2.29 0.03 0.00 -3.03 0.00 0.00 41.25 35.96 2hwf s ASN 51 CO 0.00 -0.83 1.08 -0.54 -2.03 0.00 0.00 177.10 174.78 2hwf s LYS 52 N -5.04 3.75 0.51 3.55 1.02 -1.26 -5.02 119.74 117.25 2hwf s LYS 52 Ca 0.53 0.57 -0.23 0.00 0.02 0.00 0.00 55.97 56.86 2hwf s LYS 52 Cb -0.11 -3.88 -0.06 0.00 -0.52 0.00 0.00 37.83 33.26 2hwf s LYS 52 CO 0.50 -1.26 1.39 -0.35 -0.92 0.00 0.00 175.35 174.71 2hwf n PRO 53 N 7.53 1.91 -3.28 -1.68 -0.04 -1.26 -4.92 135.00 133.26 2hwf n PRO 53 Ca 0.11 0.69 -0.38 0.00 -0.04 0.00 0.00 63.50 63.88 2hwf n PRO 53 Cb 0.49 -2.60 -0.06 0.00 -0.04 0.00 0.00 33.50 31.29 2hwf n PRO 53 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 2hwf s THR 54 N -1.25 5.14 -0.48 0.52 -1.32 0.70 -4.86 115.64 114.08 2hwf s THR 54 Ca 0.68 1.03 0.03 0.00 -1.21 0.00 0.00 61.69 62.22 2hwf s THR 54 Cb -0.43 -3.85 0.13 0.00 -1.51 0.00 0.00 72.50 66.84 2hwf s THR 54 CO 0.52 0.34 0.24 -1.10 -2.21 0.00 0.00 174.62 172.41 2hwf s GLN 55 N 0.48 1.67 0.07 7.08 -0.21 -1.26 -1.56 119.66 125.94 2hwf s GLN 55 Ca 0.28 -2.32 -0.31 0.00 0.02 0.00 0.00 55.36 53.03 2hwf s GLN 55 Cb -0.16 -2.94 -0.07 0.00 1.00 0.00 0.00 33.01 30.84 2hwf s GLN 55 CO 0.12 -1.11 1.46 -1.25 -2.12 0.00 0.00 175.29 172.38 2hwf s PRO 56 N 0.05 4.28 -0.09 2.91 0.04 -1.26 -4.98 135.00 135.95 2hwf s PRO 56 Ca 0.17 2.11 -0.00 0.00 0.04 0.00 0.00 61.00 63.32 2hwf s PRO 56 Cb -0.25 -3.41 -0.03 0.00 0.04 0.00 0.00 34.50 30.85 2hwf s PRO 56 CO -0.01 -0.55 -0.06 0.34 0.04 0.00 0.00 177.00 176.75 2hwf s ASP 57 N 1.61 4.66 0.00 6.66 2.15 -1.26 -4.27 116.67 126.22 2hwf s ASP 57 Ca 0.67 -0.05 0.00 0.00 0.43 0.00 0.00 52.55 53.59 2hwf s ASP 57 Cb -0.36 -1.31 0.00 0.00 -0.30 0.00 0.00 42.92 40.95 2hwf s ASP 57 CO 0.29 0.32 0.00 0.41 -0.17 0.00 0.00 175.17 176.02 2hwf n THR 58 N 2.52 0.00 0.34 1.71 -1.04 -1.26 -4.01 114.28 112.55 2hwf n THR 58 Ca -0.18 0.00 0.15 0.00 -2.04 0.00 0.00 64.05 61.98 2hwf n THR 58 Cb 0.53 0.00 0.58 0.00 -1.82 0.00 0.00 70.33 69.62 2hwf n THR 58 CO 0.00 0.00 0.00 0.28 -0.64 0.00 0.00 175.07 174.71 2hwf h SER 59 N 0.00 0.00 0.00 8.00 0.02 -1.95 -3.36 113.55 116.26 2hwf h SER 59 Ca 0.00 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 60.91 2hwf h SER 59 Cb 0.00 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.53 2hwf h SER 59 CO 0.00 0.00 -0.77 -1.54 -1.14 0.00 0.00 176.83 173.38 2hwf n SER 60 N -2.70 0.63 -4.43 3.07 3.41 -1.26 -4.52 113.62 107.82 2hwf n SER 60 Ca 0.02 0.09 -0.44 0.00 -0.26 0.00 0.00 58.87 58.27 2hwf n SER 60 Cb 0.28 -0.22 -0.01 0.00 -0.26 0.00 0.00 64.21 64.01 2hwf n SER 60 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2hwf s ASN 61 N -5.58 6.90 0.26 4.04 4.22 -1.26 -4.54 114.94 118.99 2hwf s ASN 61 Ca -0.04 -2.67 0.01 0.00 -2.14 0.00 0.00 52.86 48.02 2hwf s ASN 61 Cb 0.01 -2.36 -0.05 0.00 1.28 0.00 0.00 41.25 40.13 2hwf s ASN 61 CO 0.06 -0.80 0.11 0.00 -2.04 0.00 0.00 177.10 174.42 2hwf s ARG 62 N 1.59 1.43 -1.23 3.55 1.70 -1.23 -4.01 118.95 120.76 2hwf s ARG 62 Ca 0.36 -1.78 -0.18 0.00 -0.47 0.00 0.00 55.73 53.65 2hwf s ARG 62 Cb -0.05 -0.20 0.09 0.00 -0.57 0.00 0.00 34.95 34.22 2hwf s ARG 62 CO -0.05 -0.33 1.62 -0.06 -1.08 0.00 0.00 175.30 175.39 2hwf s PHE 63 N -3.75 2.88 0.09 5.89 0.08 -1.26 -3.86 117.98 118.05 2hwf s PHE 63 Ca 0.37 -1.58 -0.30 0.00 0.12 0.00 0.00 56.93 55.54 2hwf s PHE 63 Cb 0.07 -4.66 -0.05 0.00 -0.57 0.00 0.00 43.02 37.81 2hwf s PHE 63 CO 0.14 -1.75 1.03 0.71 -0.10 0.00 0.00 175.22 175.25 2hwf s TYR 64 N 3.84 3.68 -0.08 0.36 2.02 0.10 -4.80 117.35 122.48 2hwf s TYR 64 Ca 0.50 1.67 0.02 0.00 -0.37 0.00 0.00 57.07 58.89 2hwf s TYR 64 Cb 0.02 -3.16 -0.02 0.00 -0.40 0.00 0.00 41.96 38.39 2hwf s TYR 64 CO 0.03 -0.21 -0.14 -0.08 -1.57 0.00 0.00 175.55 173.59 2hwf s THR 65 N 0.32 3.05 0.00 -0.71 -1.32 -1.26 0.30 115.64 116.03 2hwf s THR 65 Ca 0.50 -0.70 0.00 0.00 -1.21 0.00 0.00 61.69 60.28 2hwf s THR 65 Cb -0.25 -2.22 0.00 0.00 -1.51 0.00 0.00 72.50 68.52 2hwf s THR 65 CO 0.30 0.57 0.00 0.18 -2.21 0.00 0.00 174.62 173.46 2hwf n LEU 66 N 2.74 0.00 -4.76 9.08 4.32 -0.54 -4.96 117.00 122.88 2hwf n LEU 66 Ca -0.18 0.00 -0.40 0.00 -0.02 0.00 0.00 56.01 55.42 2hwf n LEU 66 Cb 0.52 0.00 -0.05 0.00 -1.62 0.00 0.00 43.42 42.28 2hwf n LEU 66 CO 0.27 -0.33 0.76 -0.70 -1.22 0.00 0.00 177.39 176.17 2hwf s GLU 67 N -1.58 4.60 0.51 3.23 2.12 -1.26 -4.83 118.70 121.49 2hwf s GLU 67 Ca 0.00 1.70 0.00 0.00 0.36 0.00 0.00 54.97 57.04 2hwf s GLU 67 Cb 0.00 -3.09 0.01 0.00 0.26 0.00 0.00 34.13 31.31 2hwf s GLU 67 CO 0.00 0.20 0.73 -1.12 -0.54 0.00 0.00 175.26 174.54 2hwf s SER 68 N -1.05 5.55 0.09 -1.70 0.01 -1.26 -4.64 113.70 110.71 2hwf s SER 68 Ca 0.46 0.18 0.02 0.00 1.31 0.00 0.00 55.95 57.92 2hwf s SER 68 Cb -0.29 -1.24 -0.04 0.00 0.21 0.00 0.00 66.02 64.66 2hwf s SER 68 CO 0.37 -0.93 -0.07 -0.54 0.41 0.00 0.00 173.24 172.48 2hwf s LYS 69 N -4.68 0.81 -0.01 12.44 -0.14 0.53 -5.01 119.74 123.69 2hwf s LYS 69 Ca 0.53 -1.30 -0.19 0.00 -1.36 0.00 0.00 55.97 53.65 2hwf s LYS 69 Cb -0.10 -0.21 -0.05 0.00 -1.68 0.00 0.00 37.83 35.79 2hwf s LYS 69 CO 0.39 -0.01 0.56 -1.58 -0.76 0.00 0.00 175.35 173.94 2hwf s HIS 70 N -3.48 3.68 -0.39 3.18 2.46 -1.26 -0.79 115.29 118.69 2hwf s HIS 70 Ca 0.10 1.15 -0.10 0.00 0.47 0.00 0.00 55.06 56.68 2hwf s HIS 70 Cb 0.04 -2.55 0.05 0.00 -0.13 0.00 0.00 32.58 29.99 2hwf s HIS 70 CO -0.04 0.39 0.22 -0.46 -2.47 0.00 0.00 174.74 172.37 2hwf s TRP 71 N -0.29 3.29 0.44 3.88 -0.00 -0.36 -4.91 118.94 120.99 2hwf s TRP 71 Ca 0.29 -1.29 -0.03 0.00 -0.00 0.00 0.00 56.10 55.06 2hwf s TRP 71 Cb -0.18 -2.68 -0.03 0.00 -0.00 0.00 0.00 33.47 30.58 2hwf s TRP 71 CO 0.16 -0.76 0.71 -0.80 -0.00 0.00 0.00 176.95 176.27 2hwf s ASN 72 N 1.82 6.26 0.00 5.86 0.02 -1.26 -4.66 114.94 122.98 2hwf s ASN 72 Ca 0.02 0.77 0.24 0.00 -1.02 0.00 0.00 52.86 52.87 2hwf s ASN 72 Cb -0.21 -2.17 0.89 0.00 0.02 0.00 0.00 41.25 39.79 2hwf s ASN 72 CO 0.04 -0.50 1.64 0.61 0.02 0.00 0.00 177.10 178.91 2hwf n GLY 73 N -2.12 0.15 0.00 0.66 0.00 -1.26 -2.08 105.19 100.54 2hwf n GLY 73 Ca -0.01 -0.43 0.00 0.00 0.00 0.00 0.00 46.02 45.58 2hwf n GLY 73 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2hwf n SER 74 N 0.25 0.93 -4.77 1.61 7.64 -1.26 -4.97 113.62 113.05 2hwf n SER 74 Ca 0.17 -1.08 -0.35 0.00 1.01 0.00 0.00 58.87 58.62 2hwf n SER 74 Cb 0.34 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.54 2hwf n SER 74 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2hwf s SER 75 N -0.08 5.72 -0.01 6.43 0.01 -0.88 -4.91 113.70 119.98 2hwf s SER 75 Ca 0.00 2.19 0.01 0.00 1.31 0.00 0.00 55.95 59.46 2hwf s SER 75 Cb 0.00 -2.58 -0.02 0.00 0.21 0.00 0.00 66.02 63.63 2hwf s SER 75 CO 0.00 -1.22 0.01 0.29 0.41 0.00 0.00 173.24 172.73 2hwf n LYS 76 N -1.27 2.69 0.00 12.44 5.02 -1.05 -4.91 118.16 131.08 2hwf n LYS 76 Ca 0.11 -0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.40 2hwf n LYS 76 Cb 0.51 -1.03 0.00 0.00 -0.02 0.00 0.00 35.03 34.49 2hwf n LYS 76 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2hwf n GLY 77 N 2.78 4.51 3.08 0.72 0.00 -1.25 -4.53 105.19 110.49 2hwf n GLY 77 Ca -0.01 -1.27 -0.13 0.00 0.00 0.00 0.00 46.02 44.61 2hwf n GLY 77 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 2hwf s TRP 78 N -2.00 -0.22 0.17 1.61 -0.00 -1.10 -1.91 118.94 115.49 2hwf s TRP 78 Ca 0.00 0.53 0.09 0.00 -0.00 0.00 0.00 56.10 56.72 2hwf s TRP 78 Cb 0.00 0.07 -0.04 0.00 -0.00 0.00 0.00 33.47 33.50 2hwf s TRP 78 CO 0.00 -0.11 -0.19 1.67 -0.00 0.00 0.00 176.95 178.32 2hwf s TRP 79 N 0.13 1.91 0.00 1.66 1.48 -0.85 -2.49 118.94 120.78 2hwf s TRP 79 Ca -0.00 -0.45 0.02 0.00 -1.06 0.00 0.00 56.10 54.62 2hwf s TRP 79 Cb -0.02 -0.95 -0.01 0.00 -1.16 0.00 0.00 33.47 31.33 2hwf s TRP 79 CO 0.00 0.36 -0.08 -1.58 -4.06 0.00 0.00 176.95 171.60 2hwf s TRP 80 N -1.96 0.69 -0.25 1.66 0.51 -1.02 -0.46 118.94 118.11 2hwf s TRP 80 Ca 0.17 -0.18 -0.04 0.00 -2.12 0.00 0.00 56.10 53.93 2hwf s TRP 80 Cb -0.06 -0.44 0.01 0.00 -0.81 0.00 0.00 33.47 32.17 2hwf s TRP 80 CO 0.07 -0.02 -0.01 0.15 -0.51 0.00 0.00 176.95 176.64 2hwf s LYS 81 N -0.38 3.12 0.14 4.98 3.01 -1.26 -1.71 119.74 127.64 2hwf s LYS 81 Ca 0.01 -0.80 -0.29 0.00 -1.01 0.00 0.00 55.97 53.88 2hwf s LYS 81 Cb -0.04 -3.13 -0.05 0.00 -1.01 0.00 0.00 37.83 33.61 2hwf s LYS 81 CO -0.00 -0.34 1.58 -0.07 0.51 0.00 0.00 175.35 177.03 2hwf h LEU 82 N 8.12 -1.34 -2.08 3.17 3.38 -1.69 0.56 115.31 125.44 2hwf h LEU 82 Ca -0.35 0.18 0.09 0.00 0.09 0.00 0.00 57.88 57.89 2hwf h LEU 82 Cb 1.13 0.55 -0.01 0.00 0.09 0.00 0.00 40.66 42.42 2hwf h LEU 82 CO 0.59 -0.41 0.34 -0.65 0.09 0.00 0.00 178.44 178.40 2hwf h PRO 83 N -0.46 0.00 0.10 1.13 0.11 -1.91 -2.16 132.00 128.82 2hwf h PRO 83 Ca 0.09 0.00 -0.36 0.00 0.11 0.00 0.00 66.00 65.84 2hwf h PRO 83 Cb 0.62 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.70 2hwf h PRO 83 CO -0.43 0.00 -2.00 -3.47 -0.21 0.00 0.00 178.00 171.89 2hwf n ASP 84 N -3.82 1.97 0.14 -2.05 2.03 -1.14 -4.29 116.55 109.39 2hwf n ASP 84 Ca 0.05 0.21 0.14 0.00 0.52 0.00 0.00 54.79 55.71 2hwf n ASP 84 Cb 0.49 -0.74 0.68 0.00 -0.72 0.00 0.00 41.12 40.83 2hwf n ASP 84 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2hwf h ALA 85 N 0.17 2.20 -0.70 -1.67 0.00 0.82 -2.42 119.26 117.66 2hwf h ALA 85 Ca -0.42 -0.01 -0.37 0.00 0.00 0.00 0.00 54.91 54.11 2hwf h ALA 85 Cb 2.03 0.02 -0.22 0.00 0.00 0.00 0.00 17.79 19.62 2hwf h ALA 85 CO 0.08 -0.30 0.31 1.28 0.00 0.00 0.00 179.25 180.61 2hwf n LEU 86 N -4.41 5.56 -0.37 0.00 4.77 -1.23 -2.60 117.00 118.72 2hwf n LEU 86 Ca 0.03 -3.72 0.00 0.00 -0.03 0.00 0.00 56.01 52.29 2hwf n LEU 86 Cb 0.33 -0.75 0.00 0.00 -2.33 0.00 0.00 43.42 40.67 2hwf n LEU 86 CO 0.35 1.17 0.14 2.29 -1.33 0.00 0.00 177.39 180.00 2hwf n LYS 87 N -1.13 0.43 0.00 3.23 0.00 -0.91 -2.77 118.16 117.00 2hwf n LYS 87 Ca 0.48 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.79 2hwf n LYS 87 Cb 1.37 -1.16 0.00 0.00 -0.00 0.00 0.00 35.03 35.24 2hwf n LYS 87 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 2hwf n ASP 88 N 0.08 0.00 -4.62 -5.58 2.03 -1.26 -4.91 116.55 102.28 2hwf n ASP 88 Ca 0.00 0.00 -0.43 0.00 0.52 0.00 0.00 54.79 54.88 2hwf n ASP 88 Cb 0.08 0.00 -0.03 0.00 -0.72 0.00 0.00 41.12 40.45 2hwf n ASP 88 CO 0.00 0.00 0.00 -0.04 -1.92 0.00 0.00 177.20 175.24 2hwf s MET 89 N 0.00 3.51 0.14 -0.67 -1.94 -1.12 -4.88 119.30 114.35 2hwf s MET 89 Ca 0.00 2.23 -0.33 0.00 -1.71 0.00 0.00 55.69 55.89 2hwf s MET 89 Cb 0.00 -4.29 -0.17 0.00 2.01 0.00 0.00 34.83 32.38 2hwf s MET 89 CO 0.00 -1.67 0.92 0.41 -0.01 0.00 0.00 175.02 174.67 2hwf n GLY 90 N 5.29 -0.64 5.81 -0.03 0.00 -1.26 -0.12 105.19 114.23 2hwf n GLY 90 Ca 0.26 0.52 0.00 0.00 0.00 0.00 0.00 46.02 46.80 2hwf n GLY 90 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2hwf n ILE 91 N 0.94 0.00 -0.21 -0.61 -0.00 -1.26 -4.33 119.36 113.89 2hwf n ILE 91 Ca 0.17 0.00 -0.06 0.00 -0.00 0.00 0.00 62.75 62.86 2hwf n ILE 91 Cb 0.20 0.00 -0.05 0.00 -0.00 0.00 0.00 39.64 39.79 2hwf n ILE 91 CO 0.00 0.00 0.00 0.33 -0.00 0.00 0.00 176.55 176.88 2hwf n PHE 92 N 0.00 -0.22 0.47 1.39 -0.00 -1.25 0.11 117.46 117.95 2hwf n PHE 92 Ca 0.00 0.63 0.00 0.00 -0.00 0.00 0.00 57.45 58.08 2hwf n PHE 92 Cb 0.00 -0.52 0.00 0.00 -0.00 0.00 0.00 39.48 38.96 2hwf n PHE 92 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 2hwf n GLY 93 N -1.13 0.70 0.00 7.13 0.00 0.82 -2.12 105.19 110.60 2hwf n GLY 93 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 2hwf n GLY 93 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2hwf n GLU 94 N 0.27 0.46 0.05 1.61 4.07 0.29 -4.39 120.64 123.00 2hwf n GLU 94 Ca 0.00 0.00 0.09 0.00 -0.06 0.00 0.00 57.16 57.19 2hwf n GLU 94 Cb 0.12 -0.87 0.39 0.00 -0.06 0.00 0.00 31.44 31.01 2hwf n GLU 94 CO 0.00 0.00 0.00 0.09 -0.06 0.00 0.00 177.13 177.16 2hwf n ASN 95 N -2.15 0.26 0.07 4.31 3.02 -0.82 -1.61 115.26 118.34 2hwf n ASN 95 Ca 0.00 0.56 -0.18 0.00 -0.03 0.00 0.00 54.58 54.94 2hwf n ASN 95 Cb 0.37 -0.62 -0.14 0.00 -0.61 0.00 0.00 39.78 38.78 2hwf n ASN 95 CO 0.00 0.00 0.00 -0.03 -2.62 0.00 0.00 177.26 174.61 2hwf h MET 96 N 0.00 0.28 0.00 3.52 4.05 -1.66 -3.23 114.93 117.89 2hwf h MET 96 Ca 0.00 -0.48 0.00 0.00 -0.28 0.00 0.00 59.70 58.94 2hwf h MET 96 Cb 0.30 0.18 0.00 0.00 -0.80 0.00 0.00 31.60 31.28 2hwf h MET 96 CO 0.00 1.16 -0.74 1.88 0.23 0.00 0.00 176.91 179.44 2hwf h TYR 97 N 0.08 0.00 0.00 1.39 0.05 -1.64 -3.34 116.97 113.51 2hwf h TYR 97 Ca -0.24 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.54 2hwf h TYR 97 Cb 2.03 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.77 2hwf h TYR 97 CO 0.07 0.00 -1.31 0.66 -1.05 0.00 0.00 178.16 176.53 2hwf n TYR 98 N -2.39 0.30 -4.39 4.88 4.01 -0.63 -0.16 117.16 118.79 2hwf n TYR 98 Ca 0.02 0.09 -0.27 0.00 -0.16 0.00 0.00 57.90 57.58 2hwf n TYR 98 Cb 0.49 -0.52 -0.12 0.00 -0.31 0.00 0.00 39.34 38.87 2hwf n TYR 98 CO 0.00 0.00 0.00 -1.01 -0.46 0.00 0.00 176.86 175.39 2hwf s HIS 99 N -3.31 2.21 -0.11 -0.72 3.76 -1.22 -1.93 115.29 113.97 2hwf s HIS 99 Ca -0.00 -0.38 -0.03 0.00 -0.15 0.00 0.00 55.06 54.49 2hwf s HIS 99 Cb 0.13 -1.14 -0.01 0.00 1.11 0.00 0.00 32.58 32.67 2hwf s HIS 99 CO 0.84 0.40 -0.06 0.35 -0.85 0.00 0.00 174.74 175.41 2hwf h PHE 100 N 3.53 0.00 -3.34 1.40 3.57 -0.48 -3.46 116.94 118.17 2hwf h PHE 100 Ca -0.48 0.00 -0.56 0.00 3.53 0.00 0.00 57.97 60.46 2hwf h PHE 100 Cb 1.19 0.00 -0.05 0.00 2.79 0.00 0.00 35.95 39.88 2hwf h PHE 100 CO 0.65 0.00 0.03 -0.51 -2.23 0.00 0.00 178.31 176.25 2hwf s LEU 101 N -8.20 4.41 -0.02 0.59 1.43 0.10 -3.67 118.68 113.33 2hwf s LEU 101 Ca -0.05 1.21 -0.03 0.00 -1.03 0.00 0.00 54.13 54.24 2hwf s LEU 101 Cb 0.01 -2.99 0.00 0.00 0.03 0.00 0.00 46.19 43.23 2hwf s LEU 101 CO 0.07 0.06 0.07 -0.83 0.23 0.00 0.00 176.35 175.95 2hwf s GLY 102 N -0.05 0.00 -0.11 -3.19 0.00 -0.55 -1.07 107.32 102.35 2hwf s GLY 102 Ca 0.33 0.04 -0.13 0.00 0.00 0.00 0.00 44.72 44.97 2hwf s GLY 102 CO 0.18 -0.00 0.34 -1.60 0.00 0.00 0.00 173.10 172.02 2hwf s ARG 103 N -0.36 0.46 -0.27 2.90 3.52 -0.30 -2.68 118.95 122.22 2hwf s ARG 103 Ca -0.04 0.35 -0.30 0.00 -0.13 0.00 0.00 55.73 55.61 2hwf s ARG 103 Cb -0.03 0.22 0.18 0.00 -1.56 0.00 0.00 34.95 33.76 2hwf s ARG 103 CO 0.00 -0.07 1.32 0.45 -0.81 0.00 0.00 175.30 176.19 2hwf s SER 104 N -0.11 -0.07 0.33 -2.12 0.15 -1.26 -0.82 113.70 109.79 2hwf s SER 104 Ca -0.03 0.07 0.08 0.00 0.70 0.00 0.00 55.95 56.78 2hwf s SER 104 Cb -0.03 0.06 -0.04 0.00 -1.71 0.00 0.00 66.02 64.30 2hwf s SER 104 CO 0.01 -0.07 0.13 -0.83 1.20 0.00 0.00 173.24 173.69 2hwf s GLY 105 N -1.09 1.87 0.28 9.45 0.00 -0.74 -4.65 107.32 112.44 2hwf s GLY 105 Ca 0.08 -1.78 0.02 0.00 0.00 0.00 0.00 44.72 43.04 2hwf s GLY 105 CO -0.07 -1.73 0.11 -0.19 0.00 0.00 0.00 173.10 171.22 2hwf s TYR 106 N -2.39 1.61 -0.09 1.90 2.02 -0.90 0.19 117.35 119.68 2hwf s TYR 106 Ca 0.37 -1.20 0.00 0.00 -0.37 0.00 0.00 57.07 55.87 2hwf s TYR 106 Cb -0.03 -0.95 0.02 0.00 -0.40 0.00 0.00 41.96 40.60 2hwf s TYR 106 CO 0.23 -0.33 -0.08 0.99 -1.57 0.00 0.00 175.55 174.78 2hwf s THR 107 N -3.65 0.98 -0.29 -0.71 2.01 -1.13 0.41 115.64 113.25 2hwf s THR 107 Ca 0.37 -0.30 -0.02 0.00 0.31 0.00 0.00 61.69 62.04 2hwf s THR 107 Cb 0.07 -0.98 0.04 0.00 0.01 0.00 0.00 72.50 71.65 2hwf s THR 107 CO 0.15 0.35 -0.01 -0.69 -0.69 0.00 0.00 174.62 173.73 2hwf s VAL 108 N 1.40 3.06 -0.37 3.82 1.01 0.52 -2.44 120.40 127.40 2hwf s VAL 108 Ca -0.01 -1.24 -0.11 0.00 0.00 0.00 0.00 61.98 60.62 2hwf s VAL 108 Cb -0.13 -2.69 0.03 0.00 0.00 0.00 0.00 36.38 33.58 2hwf s VAL 108 CO -0.04 -0.02 0.21 -2.28 0.00 0.00 0.00 175.10 172.96 2hwf s HIS 109 N 1.29 3.24 -0.41 5.22 2.46 -0.14 -2.23 115.29 124.71 2hwf s HIS 109 Ca -0.03 -0.93 -0.13 0.00 0.47 0.00 0.00 55.06 54.44 2hwf s HIS 109 Cb -0.19 -2.44 0.04 0.00 -0.13 0.00 0.00 32.58 29.86 2hwf s HIS 109 CO -0.02 -0.64 0.28 0.08 -2.47 0.00 0.00 174.74 171.98 2hwf s VAL 110 N 1.56 4.87 -0.13 0.89 1.01 0.51 -0.94 120.40 128.16 2hwf s VAL 110 Ca 0.02 -0.94 -0.07 0.00 0.00 0.00 0.00 61.98 61.00 2hwf s VAL 110 Cb -0.19 -3.80 -0.04 0.00 0.00 0.00 0.00 36.38 32.35 2hwf s VAL 110 CO 0.07 -0.38 0.11 0.00 0.00 0.00 0.00 175.10 174.90 2hwf s GLN 111 N 1.59 3.52 -0.38 2.72 -2.07 -0.39 -1.37 119.66 123.28 2hwf s GLN 111 Ca 0.03 -0.20 0.02 0.00 -1.82 0.00 0.00 55.36 53.39 2hwf s GLN 111 Cb -0.21 -3.16 0.18 0.00 -1.09 0.00 0.00 33.01 28.73 2hwf s GLN 111 CO 0.07 0.66 0.78 0.00 -1.32 0.00 0.00 175.29 175.48 2hwf s ASN 113 N 1.86 4.97 0.00 0.00 4.22 -1.26 -4.72 114.94 120.00 2hwf s ASN 113 Ca 0.16 -0.80 0.00 0.00 -2.14 0.00 0.00 52.86 50.08 2hwf s ASN 113 Cb -0.01 -0.52 0.00 0.00 1.28 0.00 0.00 41.25 42.00 2hwf s ASN 113 CO -0.10 -0.66 0.00 0.00 -2.04 0.00 0.00 177.10 174.30 2hwf n ALA 114 N -1.53 0.00 -2.06 3.54 0.00 -1.26 -4.68 120.51 114.52 2hwf n ALA 114 Ca 0.03 0.00 -0.19 0.00 0.00 0.00 0.00 53.44 53.28 2hwf n ALA 114 Cb 0.62 0.00 0.03 0.00 0.00 0.00 0.00 19.45 20.10 2hwf n ALA 114 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2hwf s SER 115 N 1.89 5.29 0.00 0.00 1.04 -1.26 -4.99 113.70 115.67 2hwf s SER 115 Ca 0.00 -0.70 0.00 0.00 0.48 0.00 0.00 55.95 55.73 2hwf s SER 115 Cb 0.00 -0.14 0.00 0.00 0.10 0.00 0.00 66.02 65.98 2hwf s SER 115 CO 0.00 -1.05 0.77 2.29 0.98 0.00 0.00 173.24 176.24 2hwf n LYS 116 N -2.01 0.81 -0.03 4.02 2.85 -1.26 -2.28 118.16 120.26 2hwf n LYS 116 Ca 0.11 0.00 0.03 0.00 -1.05 0.00 0.00 58.31 57.39 2hwf n LYS 116 Cb 0.61 -1.04 0.04 0.00 -0.65 0.00 0.00 35.03 33.99 2hwf n LYS 116 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 177.40 178.54 2hwf n PHE 117 N -0.44 0.08 -3.52 5.58 3.72 -1.26 -4.98 117.46 116.63 2hwf n PHE 117 Ca 0.00 -0.18 -0.22 0.00 -0.05 0.00 0.00 57.45 57.00 2hwf n PHE 117 Cb 0.02 -0.01 -0.01 0.00 -0.94 0.00 0.00 39.48 38.54 2hwf n PHE 117 CO 0.00 0.00 0.00 -1.01 -0.05 0.00 0.00 176.76 175.70 2hwf s HIS 118 N -0.65 3.40 -0.07 1.38 3.76 -0.97 -4.67 115.29 117.48 2hwf s HIS 118 Ca 0.08 0.14 -0.03 0.00 -0.15 0.00 0.00 55.06 55.10 2hwf s HIS 118 Cb 0.05 -1.86 0.04 0.00 1.11 0.00 0.00 32.58 31.92 2hwf s HIS 118 CO 0.07 0.14 0.16 -1.14 -0.85 0.00 0.00 174.74 173.12 2hwf s GLN 119 N -4.22 0.12 0.00 1.40 0.74 -0.99 -4.76 119.66 111.94 2hwf s GLN 119 Ca 0.40 0.37 0.00 0.00 0.05 0.00 0.00 55.36 56.18 2hwf s GLN 119 Cb -0.09 -0.13 0.00 0.00 1.10 0.00 0.00 33.01 33.88 2hwf s GLN 119 CO 0.33 -0.14 0.00 0.41 -0.55 0.00 0.00 175.29 175.34 2hwf n GLY 120 N 4.04 0.64 3.10 2.59 0.00 -1.26 0.46 105.19 114.76 2hwf n GLY 120 Ca -0.24 -0.66 -0.12 0.00 0.00 0.00 0.00 46.02 45.00 2hwf n GLY 120 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2hwf s THR 121 N -2.00 -0.51 -0.10 2.61 2.01 -0.47 -2.08 115.64 115.11 2hwf s THR 121 Ca 0.00 0.23 0.01 0.00 0.31 0.00 0.00 61.69 62.24 2hwf s THR 121 Cb 0.00 -0.54 -0.02 0.00 0.01 0.00 0.00 72.50 71.96 2hwf s THR 121 CO 0.00 0.09 -0.14 -0.76 -0.69 0.00 0.00 174.62 173.13 2hwf s LEU 122 N 2.50 2.72 -0.25 4.42 1.43 -1.08 -0.22 118.68 128.20 2hwf s LEU 122 Ca 0.00 -0.28 -0.10 0.00 -1.03 0.00 0.00 54.13 52.73 2hwf s LEU 122 Cb -0.12 -1.59 -0.05 0.00 0.03 0.00 0.00 46.19 44.46 2hwf s LEU 122 CO -0.10 0.24 0.15 -0.22 0.23 0.00 0.00 176.35 176.64 2hwf s LEU 123 N -0.07 3.97 -0.07 1.79 2.96 -0.11 0.36 118.68 127.50 2hwf s LEU 123 Ca -0.02 0.03 0.02 0.00 -0.22 0.00 0.00 54.13 53.94 2hwf s LEU 123 Cb -0.14 -2.07 -0.02 0.00 0.50 0.00 0.00 46.19 44.45 2hwf s LEU 123 CO 0.04 0.03 -0.12 -0.69 -1.32 0.00 0.00 176.35 174.28 2hwf s VAL 124 N 1.29 3.20 -0.06 1.68 1.01 0.11 0.07 120.40 127.71 2hwf s VAL 124 Ca 0.07 -0.66 -0.22 0.00 0.00 0.00 0.00 61.98 61.17 2hwf s VAL 124 Cb -0.14 -2.29 0.05 0.00 0.00 0.00 0.00 36.38 34.00 2hwf s VAL 124 CO 0.06 0.58 0.49 0.00 0.00 0.00 0.00 175.10 176.23 2hwf s ALA 125 N -0.53 -1.26 0.21 5.51 0.00 -0.35 -2.10 121.76 123.24 2hwf s ALA 125 Ca 0.07 0.90 0.08 0.00 0.00 0.00 0.00 51.96 53.01 2hwf s ALA 125 Cb -0.12 -0.09 -0.04 0.00 0.00 0.00 0.00 23.12 22.87 2hwf s ALA 125 CO 0.02 -0.30 0.05 -1.64 0.00 0.00 0.00 175.76 173.88 2hwf s MET 126 N -1.03 2.52 -0.12 0.00 -1.94 -0.57 -0.59 119.30 117.57 2hwf s MET 126 Ca -0.11 -1.15 -0.05 0.00 -1.71 0.00 0.00 55.69 52.68 2hwf s MET 126 Cb -0.03 -2.37 0.06 0.00 2.01 0.00 0.00 34.83 34.50 2hwf s MET 126 CO 0.06 0.43 0.25 0.42 -0.01 0.00 0.00 175.02 176.16 2hwf s ILE 127 N -1.95 -0.30 0.56 2.53 1.01 0.42 -3.88 121.20 119.58 2hwf s ILE 127 Ca 0.30 0.26 -0.20 0.00 0.00 0.00 0.00 60.65 61.01 2hwf s ILE 127 Cb -0.08 -0.41 -0.05 0.00 0.01 0.00 0.00 42.46 41.93 2hwf s ILE 127 CO 0.20 0.11 1.19 -2.16 0.00 0.00 0.00 174.94 174.29 2hwf s PRO 128 N 2.10 3.18 -0.04 2.79 0.04 -1.26 -2.95 135.00 138.87 2hwf s PRO 128 Ca -0.01 1.80 -0.03 0.00 0.04 0.00 0.00 61.00 62.79 2hwf s PRO 128 Cb -0.12 -2.03 0.01 0.00 0.04 0.00 0.00 34.50 32.40 2hwf s PRO 128 CO -0.08 -1.03 0.06 0.39 0.04 0.00 0.00 177.00 176.37 2hwf n GLU 129 N -1.33 -0.20 -2.61 4.56 -0.58 -0.90 -4.84 120.64 114.74 2hwf n GLU 129 Ca 0.12 0.21 -0.42 0.00 -0.42 0.00 0.00 57.16 56.66 2hwf n GLU 129 Cb 0.49 -0.29 0.01 0.00 -0.57 0.00 0.00 31.44 31.08 2hwf n GLU 129 CO 0.00 0.00 0.00 1.58 -0.48 0.00 0.00 177.13 178.23 2hwf n HIS 130 N 0.37 2.57 -1.69 -0.32 -0.00 -1.26 -4.98 115.22 109.91 2hwf n HIS 130 Ca -0.01 -2.64 -0.39 0.00 0.46 0.00 0.00 57.72 55.14 2hwf n HIS 130 Cb 0.12 -1.44 -0.03 0.00 -0.12 0.00 0.00 29.99 28.52 2hwf n HIS 130 CO 0.00 0.00 0.00 -1.14 0.46 0.00 0.00 176.34 175.66 2hwf s GLN 131 N -2.54 2.65 0.71 1.57 0.74 -1.26 -4.95 119.66 116.58 2hwf s GLN 131 Ca 0.39 1.52 -0.11 0.00 0.05 0.00 0.00 55.36 57.21 2hwf s GLN 131 Cb 0.13 -4.45 0.02 0.00 1.10 0.00 0.00 33.01 29.81 2hwf s GLN 131 CO -0.02 -2.66 1.07 -0.51 -0.55 0.00 0.00 175.29 172.62 2hwf s LEU 132 N 9.92 2.95 0.08 3.68 1.43 -1.26 -4.66 118.68 130.82 2hwf s LEU 132 Ca 0.93 1.39 0.05 0.00 -1.03 0.00 0.00 54.13 55.47 2hwf s LEU 132 Cb -0.22 -4.21 -0.04 0.00 0.03 0.00 0.00 46.19 41.75 2hwf s LEU 132 CO 0.29 -1.47 0.00 0.00 0.23 0.00 0.00 176.35 175.40 2hwf s ALA 133 N -3.17 3.30 0.19 4.21 0.00 0.21 -4.69 121.76 121.81 2hwf s ALA 133 Ca 0.58 -1.10 -0.19 0.00 0.00 0.00 0.00 51.96 51.25 2hwf s ALA 133 Cb -0.13 -1.21 -0.08 0.00 0.00 0.00 0.00 23.12 21.70 2hwf s ALA 133 CO 0.54 0.70 0.67 -1.54 0.00 0.00 0.00 175.76 176.13 2hwf s SER 134 N -2.26 7.02 0.64 0.00 1.04 -1.26 -0.12 113.70 118.75 2hwf s SER 134 Ca 0.25 1.33 0.43 0.00 0.48 0.00 0.00 55.95 58.44 2hwf s SER 134 Cb -0.12 -2.38 2.23 0.00 0.10 0.00 0.00 66.02 65.85 2hwf s SER 134 CO 0.18 0.08 2.30 0.00 0.98 0.00 0.00 173.24 176.78 2hwf h ALA 135 N 3.61 1.00 -3.26 5.32 0.00 -1.62 -3.42 119.26 120.88 2hwf h ALA 135 Ca -0.48 0.00 -0.66 0.00 0.00 0.00 0.00 54.91 53.77 2hwf h ALA 135 Cb 1.20 0.00 -0.16 0.00 0.00 0.00 0.00 17.79 18.83 2hwf h ALA 135 CO 0.65 0.00 -0.61 0.15 0.00 0.00 0.00 179.25 179.44 2hwf s LYS 136 N -4.05 3.29 0.58 0.00 -0.14 -1.26 -5.03 119.74 113.13 2hwf s LYS 136 Ca -0.04 -0.39 -0.19 0.00 -1.36 0.00 0.00 55.97 53.99 2hwf s LYS 136 Cb 0.12 -2.91 -0.04 0.00 -1.68 0.00 0.00 37.83 33.32 2hwf s LYS 136 CO 0.44 0.57 1.22 -1.58 -0.76 0.00 0.00 175.35 175.24 2hwf s HIS 137 N -0.49 2.38 -4.28 3.18 5.65 -1.26 -4.85 115.29 115.62 2hwf s HIS 137 Ca 0.09 1.50 0.00 0.00 0.25 0.00 0.00 55.06 56.90 2hwf s HIS 137 Cb -0.12 -3.52 0.00 0.00 -1.18 0.00 0.00 32.58 27.76 2hwf s HIS 137 CO 0.02 -2.29 0.00 0.41 -0.65 0.00 0.00 174.74 172.23 2hwf n GLY 138 N 0.56 0.90 0.34 1.59 0.00 -1.26 -4.84 105.19 102.47 2hwf n GLY 138 Ca 0.13 -1.92 0.06 0.00 0.00 0.00 0.00 46.02 44.29 2hwf n GLY 138 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2hwf n SER 139 N 0.00 2.68 -4.64 1.61 3.41 -1.26 -4.98 113.62 110.44 2hwf n SER 139 Ca 0.00 -2.52 -0.40 0.00 -0.26 0.00 0.00 58.87 55.69 2hwf n SER 139 Cb 0.00 -0.28 -0.06 0.00 -0.26 0.00 0.00 64.21 63.60 2hwf n SER 139 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 2hwf s VAL 140 N -1.90 5.04 0.44 -3.33 1.01 -1.26 -5.03 120.40 115.36 2hwf s VAL 140 Ca 0.23 1.07 -0.08 0.00 0.00 0.00 0.00 61.98 63.19 2hwf s VAL 140 Cb 0.17 -3.90 -0.05 0.00 0.00 0.00 0.00 36.38 32.60 2hwf s VAL 140 CO 0.06 0.10 0.79 0.42 0.00 0.00 0.00 175.10 176.46 2hwf s THR 141 N 2.10 4.83 0.69 3.92 -4.23 -1.26 -4.58 115.64 117.11 2hwf s THR 141 Ca 0.26 0.46 -0.17 0.00 -1.18 0.00 0.00 61.69 61.06 2hwf s THR 141 Cb -0.16 -3.79 -0.03 0.00 1.34 0.00 0.00 72.50 69.86 2hwf s THR 141 CO 0.09 -0.68 0.70 0.00 -0.54 0.00 0.00 174.62 174.19 2hwf n ALA 142 N -1.74 -0.93 -1.65 3.99 0.00 -1.26 -4.78 120.51 114.15 2hwf n ALA 142 Ca 0.02 -0.17 -0.30 0.00 0.00 0.00 0.00 53.44 52.98 2hwf n ALA 142 Cb 0.54 -1.95 0.06 0.00 0.00 0.00 0.00 19.45 18.11 2hwf n ALA 142 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2hwf s GLY 143 N -1.46 1.64 0.00 0.00 0.00 0.53 -4.96 107.32 103.08 2hwf s GLY 143 Ca 0.69 -0.13 0.00 0.00 0.00 0.00 0.00 44.72 45.28 2hwf s GLY 143 CO 0.54 0.23 0.48 2.98 0.00 0.00 0.00 173.10 177.33 2hwf n TYR 144 N -3.19 0.00 0.08 1.90 4.19 -1.26 -3.33 117.16 115.55 2hwf n TYR 144 Ca 0.07 0.00 0.00 0.00 3.31 0.00 0.00 57.90 61.28 2hwf n TYR 144 Cb 0.55 -0.17 0.00 0.00 0.49 0.00 0.00 39.34 40.22 2hwf n TYR 144 CO 0.00 0.00 0.00 1.63 0.91 0.00 0.00 176.86 179.40 2hwf n LYS 145 N -1.00 0.01 0.00 2.98 5.02 -1.26 0.24 118.16 124.16 2hwf n LYS 145 Ca 0.00 0.24 0.04 0.00 -2.02 0.00 0.00 58.31 56.57 2hwf n LYS 145 Cb 0.00 -1.68 -0.01 0.00 -0.02 0.00 0.00 35.03 33.32 2hwf n LYS 145 CO 0.00 0.00 0.00 1.47 -0.52 0.00 0.00 177.40 178.35 2hwf n LEU 146 N -1.18 0.97 -0.75 -0.35 -0.00 -1.23 -4.22 117.00 110.24 2hwf n LEU 146 Ca 0.00 -0.72 0.07 0.00 -0.00 0.00 0.00 56.01 55.36 2hwf n LEU 146 Cb 0.51 0.00 0.20 0.00 -0.00 0.00 0.00 43.42 44.13 2hwf n LEU 146 CO 0.00 0.20 0.66 0.35 -0.00 0.00 0.00 177.39 178.61 2hwf n THR 147 N -0.44 1.53 -2.47 1.47 -2.24 0.68 -4.46 114.28 108.34 2hwf n THR 147 Ca 0.03 -1.35 -0.16 0.00 -2.27 0.00 0.00 64.05 60.30 2hwf n THR 147 Cb 0.17 0.19 0.02 0.00 -2.10 0.00 0.00 70.33 68.61 2hwf n THR 147 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 2hwf n HIS 148 N 0.11 2.22 0.19 4.78 8.25 -1.04 -4.87 115.22 124.86 2hwf n HIS 148 Ca 0.16 -2.55 -0.11 0.00 -0.26 0.00 0.00 57.72 54.96 2hwf n HIS 148 Cb 0.62 -0.26 -0.06 0.00 1.12 0.00 0.00 29.99 31.42 2hwf n HIS 148 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 2hwf h PRO 149 N 2.56 -0.58 0.00 -0.41 0.13 -1.79 -3.48 132.00 128.43 2hwf h PRO 149 Ca 0.13 0.04 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 2hwf h PRO 149 Cb 1.24 0.13 0.00 0.00 0.13 0.00 0.00 31.00 32.50 2hwf h PRO 149 CO 0.59 -0.39 0.00 0.41 -0.23 0.00 0.00 178.00 178.38 2hwf n GLY 150 N -1.33 0.48 0.28 1.56 0.00 -1.26 -4.70 105.19 100.22 2hwf n GLY 150 Ca -0.07 -2.27 0.05 0.00 0.00 0.00 0.00 46.02 43.73 2hwf n GLY 150 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 2hwf h GLU 151 N 2.85 0.08 -0.66 1.61 4.11 -1.76 -1.25 114.58 119.55 2hwf h GLU 151 Ca 0.00 -0.00 0.19 0.00 0.07 0.00 0.00 59.36 59.62 2hwf h GLU 151 Cb 0.00 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.21 2hwf h GLU 151 CO 0.00 0.05 0.71 0.00 0.07 0.00 0.00 179.01 179.84 2hwf h ALA 152 N 1.73 2.45 -1.17 1.06 0.00 -1.89 -3.39 119.26 118.06 2hwf h ALA 152 Ca 0.42 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.30 2hwf h ALA 152 Cb 0.73 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.57 2hwf h ALA 152 CO -0.70 -1.05 0.00 0.41 0.00 0.00 0.00 179.25 177.91 2hwf n GLY 153 N -1.58 -1.17 3.15 0.00 0.00 -0.47 -4.98 105.19 100.14 2hwf n GLY 153 Ca 0.14 -1.13 -0.10 0.00 0.00 0.00 0.00 46.02 44.93 2hwf n GLY 153 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2hwf s ARG 154 N 0.00 0.89 2.77 1.61 3.00 0.40 -4.71 118.95 122.91 2hwf s ARG 154 Ca 0.00 -1.41 0.00 0.00 -1.00 0.00 0.00 55.73 53.32 2hwf s ARG 154 Cb 0.00 0.21 0.00 0.00 0.00 0.00 0.00 34.95 35.16 2hwf s ARG 154 CO 0.00 -0.23 0.00 -3.47 0.00 0.00 0.00 175.30 171.60 2hwf n ASP 155 N -0.07 0.00 0.00 -2.12 -0.08 -1.26 -2.01 116.55 111.01 2hwf n ASP 155 Ca -0.07 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.21 2hwf n ASP 155 Cb 0.63 0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.09 2hwf n ASP 155 CO 0.00 0.00 0.00 0.52 0.12 0.00 0.00 177.20 177.84 2hwf n VAL 156 N 0.00 0.00 0.00 5.18 0.31 -0.80 -2.19 118.33 120.83 2hwf n VAL 156 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 2hwf n VAL 156 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 2hwf n VAL 156 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 2hwf n SER 157 N 2.82 0.00 -4.56 4.52 2.88 -1.26 -2.53 113.62 115.50 2hwf n SER 157 Ca 0.00 0.00 -0.26 0.00 -1.33 0.00 0.00 58.87 57.28 2hwf n SER 157 Cb 0.00 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.36 2hwf n SER 157 CO 0.00 0.00 0.00 -1.58 -1.23 0.00 0.00 175.04 172.23 2hwf s GLN 158 N 0.00 1.86 -0.04 -1.46 0.74 -0.93 -5.06 119.66 114.78 2hwf s GLN 158 Ca 0.00 -1.91 -0.07 0.00 0.05 0.00 0.00 55.36 53.43 2hwf s GLN 158 Cb 0.00 -1.74 -0.04 0.00 1.10 0.00 0.00 33.01 32.32 2hwf s GLN 158 CO 0.00 0.14 0.23 -1.21 -0.55 0.00 0.00 175.29 173.90 2hwf s GLU 159 N -3.63 3.55 0.07 1.67 8.01 -1.26 -5.05 118.70 122.06 2hwf s GLU 159 Ca 0.33 -0.08 -0.27 0.00 0.01 0.00 0.00 54.97 54.96 2hwf s GLU 159 Cb 0.02 -3.13 0.09 0.00 -4.31 0.00 0.00 34.13 26.79 2hwf s GLU 159 CO 0.17 0.70 1.01 -0.98 0.01 0.00 0.00 175.26 176.18 2hwf s ARG 160 N -1.47 0.92 0.27 1.61 1.70 -1.26 -5.15 118.95 115.58 2hwf s ARG 160 Ca 0.23 -0.47 -0.31 0.00 -0.47 0.00 0.00 55.73 54.71 2hwf s ARG 160 Cb -0.13 0.34 -0.12 0.00 -0.57 0.00 0.00 34.95 34.47 2hwf s ARG 160 CO 0.12 -0.42 1.58 -0.25 -1.08 0.00 0.00 175.30 175.26 2hwf n ASP 161 N -0.40 3.69 -0.91 -2.89 9.92 -1.26 -4.88 116.55 119.82 2hwf n ASP 161 Ca -0.07 1.13 0.11 0.00 -0.53 0.00 0.00 54.79 55.44 2hwf n ASP 161 Cb 0.61 -1.56 0.27 0.00 -0.64 0.00 0.00 41.12 39.80 2hwf n ASP 161 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2hwf n ALA 162 N 2.37 2.46 0.16 2.24 0.00 -1.26 -3.28 120.51 123.19 2hwf n ALA 162 Ca 0.10 -0.80 0.04 0.00 0.00 0.00 0.00 53.44 52.78 2hwf n ALA 162 Cb 0.35 -0.96 0.09 0.00 0.00 0.00 0.00 19.45 18.93 2hwf n ALA 162 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2hwf h SER 163 N 3.52 0.00 -3.64 0.00 0.87 -2.02 -3.44 113.55 108.84 2hwf h SER 163 Ca 0.00 0.00 -0.51 0.00 -1.23 0.00 0.00 61.79 60.05 2hwf h SER 163 Cb 0.78 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.71 2hwf h SER 163 CO 0.00 0.43 0.29 -0.76 -0.53 0.00 0.00 176.83 176.26 2hwf s LEU 164 N -6.49 4.60 -1.04 2.23 2.01 -1.20 -4.89 118.68 113.89 2hwf s LEU 164 Ca 0.04 1.81 -0.20 0.00 0.01 0.00 0.00 54.13 55.78 2hwf s LEU 164 Cb 0.08 -3.49 -0.08 0.00 0.01 0.00 0.00 46.19 42.70 2hwf s LEU 164 CO 0.73 0.13 1.96 0.54 1.01 0.00 0.00 176.35 180.72 2hwf n ARG 165 N 1.82 1.94 -3.12 1.70 1.74 -1.26 -4.84 116.66 114.64 2hwf n ARG 165 Ca -0.02 -2.27 -0.39 0.00 -0.77 0.00 0.00 57.85 54.40 2hwf n ARG 165 Cb 0.48 -3.22 -0.05 0.00 -1.02 0.00 0.00 32.46 28.64 2hwf n ARG 165 CO 0.00 0.00 0.00 -1.14 -1.52 0.00 0.00 177.63 174.97 2hwf s GLN 166 N 4.91 4.39 1.00 5.56 2.00 -1.26 0.20 119.66 136.46 2hwf s GLN 166 Ca 0.58 0.83 -0.17 0.00 -2.00 0.00 0.00 55.36 54.60 2hwf s GLN 166 Cb 0.10 -3.37 0.24 0.00 0.80 0.00 0.00 33.01 30.78 2hwf s GLN 166 CO 0.08 0.27 1.07 -0.35 -0.50 0.00 0.00 175.29 175.87 2hwf n PRO 167 N 3.01 -2.13 -3.00 1.67 -0.04 -1.26 -2.55 135.00 130.71 2hwf n PRO 167 Ca -0.05 -1.69 -0.42 0.00 -0.04 0.00 0.00 63.50 61.31 2hwf n PRO 167 Cb 0.51 -1.36 -0.05 0.00 -0.04 0.00 0.00 33.50 32.56 2hwf n PRO 167 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2hwf s SER 168 N -4.69 6.56 0.00 3.54 0.15 0.82 -3.99 113.70 116.10 2hwf s SER 168 Ca 0.65 0.42 0.30 0.00 0.70 0.00 0.00 55.95 58.02 2hwf s SER 168 Cb -0.04 -2.38 1.46 0.00 -1.71 0.00 0.00 66.02 63.34 2hwf s SER 168 CO 0.48 -0.64 2.01 0.47 1.20 0.00 0.00 173.24 176.76 2hwf n ASP 169 N 6.23 0.11 -4.63 5.45 8.00 -1.26 -4.75 116.55 125.70 2hwf n ASP 169 Ca 0.02 -0.26 -0.43 0.00 0.71 0.00 0.00 54.79 54.83 2hwf n ASP 169 Cb 0.48 -0.22 -0.03 0.00 -0.02 0.00 0.00 41.12 41.33 2hwf n ASP 169 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 2hwf s ASP 170 N -2.54 6.29 -0.13 -2.24 1.11 -1.26 -4.96 116.67 112.93 2hwf s ASP 170 Ca 0.29 1.87 -0.08 0.00 0.18 0.00 0.00 52.55 54.81 2hwf s ASP 170 Cb 0.20 -2.53 -0.04 0.00 1.07 0.00 0.00 42.92 41.62 2hwf s ASP 170 CO 0.47 -1.29 -0.05 -1.28 1.18 0.00 0.00 175.17 174.19 2hwf h SER 171 N 11.17 0.00 -0.14 0.27 0.87 -1.92 -2.73 113.55 121.08 2hwf h SER 171 Ca -0.37 -0.08 0.04 0.00 -1.23 0.00 0.00 61.79 60.14 2hwf h SER 171 Cb 1.18 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.13 2hwf h SER 171 CO 0.98 0.76 0.69 4.11 -0.53 0.00 0.00 176.83 182.84 2hwf h TRP 172 N -1.00 0.00 -0.03 2.24 5.08 -1.95 2.75 115.95 123.05 2hwf h TRP 172 Ca -0.03 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.94 2hwf h TRP 172 Cb 0.45 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.61 2hwf h TRP 172 CO -0.11 0.00 -0.10 1.28 -1.28 0.00 0.00 178.44 178.23 2hwf n LEU 173 N -2.85 2.69 0.00 0.11 4.77 -1.26 -1.15 117.00 119.31 2hwf n LEU 173 Ca 0.02 -0.91 0.00 0.00 -0.03 0.00 0.00 56.01 55.09 2hwf n LEU 173 Cb 0.75 -0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.84 2hwf n LEU 173 CO 0.10 0.46 0.00 0.59 -1.33 0.00 0.00 177.39 177.21 2hwf n ASN 174 N 0.98 -2.80 0.00 -1.43 3.02 0.92 0.25 115.26 116.19 2hwf n ASN 174 Ca 0.13 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.68 2hwf n ASN 174 Cb 0.56 -0.79 0.00 0.00 -0.61 0.00 0.00 39.78 38.94 2hwf n ASN 174 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 2hwf n PHE 175 N -2.72 0.00 -0.02 3.10 3.01 -1.03 -4.42 117.46 115.39 2hwf n PHE 175 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.46 2hwf n PHE 175 Cb 0.05 -0.35 0.00 0.00 -0.01 0.00 0.00 39.48 39.17 2hwf n PHE 175 CO 0.00 0.00 0.00 -0.40 1.01 0.00 0.00 176.76 177.37 2hwf n ASP 176 N 0.00 0.16 -1.94 4.37 5.68 -1.20 -0.62 116.55 123.00 2hwf n ASP 176 Ca 0.00 -0.55 -0.03 0.00 -0.50 0.00 0.00 54.79 53.71 2hwf n ASP 176 Cb 0.00 0.74 0.02 0.00 -1.14 0.00 0.00 41.12 40.73 2hwf n ASP 176 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2hwf n GLY 177 N 0.74 0.28 2.89 6.12 0.00 0.68 -4.87 105.19 111.02 2hwf n GLY 177 Ca 0.00 -0.06 -0.11 0.00 0.00 0.00 0.00 46.02 45.85 2hwf n GLY 177 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2hwf s THR 178 N -3.09 -0.55 -0.61 2.61 -4.23 0.18 -5.01 115.64 104.94 2hwf s THR 178 Ca 0.10 -0.07 -0.40 0.00 -1.18 0.00 0.00 61.69 60.14 2hwf s THR 178 Cb -0.01 -0.78 -0.19 0.00 1.34 0.00 0.00 72.50 72.86 2hwf s THR 178 CO 0.19 -0.13 2.28 0.18 -0.54 0.00 0.00 174.62 176.60 2hwf n LEU 179 N 5.36 0.77 -4.56 4.79 4.77 -1.26 -3.75 117.00 123.12 2hwf n LEU 179 Ca -0.04 0.52 -0.50 0.00 -0.03 0.00 0.00 56.01 55.96 2hwf n LEU 179 Cb 0.50 -0.94 -0.04 0.00 -2.33 0.00 0.00 43.42 40.60 2hwf n LEU 179 CO 0.06 -0.77 0.67 -0.11 -1.33 0.00 0.00 177.39 175.92 2hwf n LEU 180 N 8.55 1.25 0.00 2.23 7.94 -0.30 -1.63 117.00 135.04 2hwf n LEU 180 Ca 0.56 1.14 0.00 0.00 -1.11 0.00 0.00 56.01 56.60 2hwf n LEU 180 Cb 0.01 -1.17 0.00 0.00 0.53 0.00 0.00 43.42 42.78 2hwf n LEU 180 CO 0.88 -1.44 0.00 0.61 -1.11 0.00 0.00 177.39 176.34 2hwf n GLY 181 N 1.99 1.51 0.14 -3.96 0.00 -1.26 -4.72 105.19 98.88 2hwf n GLY 181 Ca 0.16 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.20 2hwf n GLY 181 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2hwf n ASN 182 N 0.00 1.13 0.26 1.61 3.02 -0.64 -4.26 115.26 116.38 2hwf n ASN 182 Ca 0.00 -1.07 0.17 0.00 -0.03 0.00 0.00 54.58 53.65 2hwf n ASN 182 Cb 0.00 0.19 0.70 0.00 -0.61 0.00 0.00 39.78 40.06 2hwf n ASN 182 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 2hwf h LEU 183 N 0.68 0.00 0.00 3.41 5.85 -1.85 -2.67 115.31 120.73 2hwf h LEU 183 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 2hwf h LEU 183 Cb 0.16 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.19 2hwf h LEU 183 CO 0.00 0.00 0.00 0.18 -0.34 0.00 0.00 178.44 178.28 2hwf n LEU 184 N -2.96 0.00 0.08 2.25 4.32 -1.26 -1.15 117.00 118.28 2hwf n LEU 184 Ca 0.01 0.28 -0.06 0.00 -0.02 0.00 0.00 56.01 56.21 2hwf n LEU 184 Cb 0.27 -0.28 -0.04 0.00 -1.62 0.00 0.00 43.42 41.75 2hwf n LEU 184 CO 0.25 -0.23 0.23 -0.29 -1.22 0.00 0.00 177.39 176.14 2hwf h ILE 185 N 0.00 1.63 -4.26 -0.08 6.09 -1.82 -3.44 117.51 115.63 2hwf h ILE 185 Ca 0.00 -3.04 -0.50 0.00 -1.37 0.00 0.00 64.86 59.95 2hwf h ILE 185 Cb 0.05 2.65 0.04 0.00 0.47 0.00 0.00 36.82 40.03 2hwf h ILE 185 CO 0.00 0.87 0.38 -0.36 -3.07 0.00 0.00 178.15 175.97 2hwf s PHE 186 N -2.97 3.57 0.19 2.19 0.08 -0.30 -4.95 117.98 115.79 2hwf s PHE 186 Ca 0.00 1.32 -0.32 0.00 0.12 0.00 0.00 56.93 58.05 2hwf s PHE 186 Cb 0.11 -2.72 -0.12 0.00 -0.57 0.00 0.00 43.02 39.72 2hwf s PHE 186 CO 0.81 -0.55 1.75 -2.30 -0.10 0.00 0.00 175.22 174.82 2hwf n PRO 187 N -2.31 2.76 -2.31 0.24 -0.02 -1.25 -4.85 135.00 127.25 2hwf n PRO 187 Ca 0.06 1.00 -0.04 0.00 -2.02 0.00 0.00 63.50 62.49 2hwf n PRO 187 Cb 0.54 -2.85 0.01 0.00 -0.02 0.00 0.00 33.50 31.18 2hwf n PRO 187 CO 0.00 0.00 0.00 -2.39 1.98 0.00 0.00 175.50 175.09 2hwf n HIS 188 N 4.33 -1.63 0.00 6.00 1.44 -1.26 -1.51 115.22 122.59 2hwf n HIS 188 Ca 0.17 -0.88 0.00 0.00 -2.01 0.00 0.00 57.72 55.00 2hwf n HIS 188 Cb 0.35 0.43 0.00 0.00 0.12 0.00 0.00 29.99 30.89 2hwf n HIS 188 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 2hwf n GLN 189 N -0.25 0.00 -4.40 -1.40 10.64 -0.89 -4.98 117.38 116.09 2hwf n GLN 189 Ca -0.04 0.00 -0.29 0.00 -1.83 0.00 0.00 57.00 54.83 2hwf n GLN 189 Cb 0.28 0.00 -0.06 0.00 -0.86 0.00 0.00 30.24 29.60 2hwf n GLN 189 CO 0.00 0.00 0.00 -0.06 -1.83 0.00 0.00 177.06 175.17 2hwf s PHE 190 N -2.00 1.96 -0.49 2.61 0.40 -1.26 0.07 117.98 119.27 2hwf s PHE 190 Ca 0.00 -0.85 0.05 0.00 -0.60 0.00 0.00 56.93 55.53 2hwf s PHE 190 Cb 0.00 -1.76 0.19 0.00 0.51 0.00 0.00 43.02 41.95 2hwf s PHE 190 CO 0.00 0.04 0.43 -0.89 0.70 0.00 0.00 175.22 175.50 2hwf n ILE 191 N -1.38 -0.24 -2.62 0.64 5.41 0.16 -4.76 119.36 116.56 2hwf n ILE 191 Ca -0.10 -3.97 -0.41 0.00 1.00 0.00 0.00 62.75 59.26 2hwf n ILE 191 Cb 0.66 -1.85 -0.03 0.00 -0.71 0.00 0.00 39.64 37.70 2hwf n ILE 191 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 176.55 176.76 2hwf s ASN 192 N -0.67 6.17 0.00 4.38 3.04 -1.26 -2.62 114.94 123.97 2hwf s ASN 192 Ca 0.32 -0.59 0.00 0.00 0.04 0.00 0.00 52.86 52.63 2hwf s ASN 192 Cb 0.05 -2.53 0.00 0.00 -1.54 0.00 0.00 41.25 37.23 2hwf s ASN 192 CO -0.17 -1.74 0.41 0.18 -3.04 0.00 0.00 177.10 172.75 2hwf n LEU 193 N 8.98 0.00 -0.16 3.21 4.77 -0.88 -0.07 117.00 132.85 2hwf n LEU 193 Ca 0.02 0.08 0.10 0.00 -0.03 0.00 0.00 56.01 56.18 2hwf n LEU 193 Cb 0.48 -0.08 -0.06 0.00 -2.33 0.00 0.00 43.42 41.43 2hwf n LEU 193 CO 0.69 -0.08 0.09 -2.11 -1.33 0.00 0.00 177.39 174.66 2hwf n ARG 194 N -0.91 0.39 0.02 3.23 -4.01 -1.26 -4.70 116.66 109.42 2hwf n ARG 194 Ca 0.00 -0.32 0.00 0.00 -1.04 0.00 0.00 57.85 56.49 2hwf n ARG 194 Cb 0.20 -1.49 0.00 0.00 -3.04 0.00 0.00 32.46 28.12 2hwf n ARG 194 CO 0.00 0.00 0.00 -1.13 -3.04 0.00 0.00 177.63 173.46 2hwf n SER 195 N -1.03 -0.02 -4.45 2.89 3.41 0.89 -5.10 113.62 110.22 2hwf n SER 195 Ca 0.06 0.08 -0.29 0.00 -0.26 0.00 0.00 58.87 58.45 2hwf n SER 195 Cb 0.37 0.06 0.19 0.00 -0.26 0.00 0.00 64.21 64.57 2hwf n SER 195 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 2hwf s ASN 196 N -5.01 2.30 0.00 4.04 3.84 -0.22 -4.65 114.94 115.24 2hwf s ASN 196 Ca 0.00 0.94 0.00 0.00 0.21 0.00 0.00 52.86 54.01 2hwf s ASN 196 Cb 0.00 -1.46 0.00 0.00 -0.55 0.00 0.00 41.25 39.24 2hwf s ASN 196 CO 0.00 -3.30 0.00 -3.20 -2.79 0.00 0.00 177.10 167.81 2hwf n ASN 197 N -4.26 0.00 -1.26 -4.21 5.15 -1.26 -4.58 115.26 104.83 2hwf n ASN 197 Ca 0.08 0.00 -0.02 0.00 -0.60 0.00 0.00 54.58 54.03 2hwf n ASN 197 Cb 0.58 0.00 -0.01 0.00 -0.53 0.00 0.00 39.78 39.82 2hwf n ASN 197 CO 0.00 0.00 0.00 -1.20 1.40 0.00 0.00 177.26 177.46 2hwf n SER 198 N -0.99 -0.09 -3.66 1.20 7.64 -1.25 -1.91 113.62 114.56 2hwf n SER 198 Ca 0.00 -1.26 -0.10 0.00 1.01 0.00 0.00 58.87 58.52 2hwf n SER 198 Cb 0.00 0.20 -0.08 0.00 -1.01 0.00 0.00 64.21 63.32 2hwf n SER 198 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2hwf s ALA 199 N -2.14 -1.59 -0.20 -0.43 0.00 -0.47 -4.61 121.76 112.31 2hwf s ALA 199 Ca 0.05 2.02 0.00 0.00 0.00 0.00 0.00 51.96 54.03 2hwf s ALA 199 Cb 0.00 -1.19 0.05 0.00 0.00 0.00 0.00 23.12 21.98 2hwf s ALA 199 CO 0.03 -0.33 -0.07 0.99 0.00 0.00 0.00 175.76 176.39 2hwf s THR 200 N 1.21 1.42 -0.08 0.00 2.01 -1.26 -0.37 115.64 118.57 2hwf s THR 200 Ca -0.07 -0.97 0.01 0.00 0.31 0.00 0.00 61.69 60.97 2hwf s THR 200 Cb -0.06 -1.60 -0.03 0.00 0.01 0.00 0.00 72.50 70.82 2hwf s THR 200 CO -0.12 0.04 -0.09 -0.76 -0.69 0.00 0.00 174.62 173.00 2hwf s LEU 201 N 1.48 3.05 -0.04 4.42 1.43 -0.95 -1.20 118.68 126.86 2hwf s LEU 201 Ca -0.02 -0.09 0.04 0.00 -1.03 0.00 0.00 54.13 53.02 2hwf s LEU 201 Cb -0.17 -1.66 -0.00 0.00 0.03 0.00 0.00 46.19 44.39 2hwf s LEU 201 CO -0.07 0.32 -0.15 -0.63 0.23 0.00 0.00 176.35 176.05 2hwf s ILE 202 N -0.58 1.27 -0.17 -0.59 -1.09 -0.56 0.19 121.20 119.68 2hwf s ILE 202 Ca 0.09 -0.63 -0.09 0.00 -2.23 0.00 0.00 60.65 57.79 2hwf s ILE 202 Cb -0.12 -1.10 0.07 0.00 -1.58 0.00 0.00 42.46 39.73 2hwf s ILE 202 CO 0.02 0.37 0.41 0.54 -1.23 0.00 0.00 174.94 175.04 2hwf s VAL 203 N 0.06 -0.16 0.59 2.92 0.11 0.16 -1.15 120.40 122.94 2hwf s VAL 203 Ca -0.03 0.11 -0.10 0.00 -2.93 0.00 0.00 61.98 59.03 2hwf s VAL 203 Cb -0.11 -0.61 0.15 0.00 -1.53 0.00 0.00 36.38 34.28 2hwf s VAL 203 CO 0.02 0.05 0.52 -0.81 -3.33 0.00 0.00 175.10 171.54 2hwf n PRO 204 N 4.52 -2.09 -3.08 1.54 -0.04 -1.26 -2.12 135.00 132.47 2hwf n PRO 204 Ca -0.20 -0.83 -0.43 0.00 -0.04 0.00 0.00 63.50 62.00 2hwf n PRO 204 Cb 0.54 -0.79 -0.06 0.00 -0.04 0.00 0.00 33.50 33.15 2hwf n PRO 204 CO 0.00 0.00 0.00 -0.47 -0.04 0.00 0.00 175.50 174.99 2hwf s TYR 205 N -1.93 2.99 -0.18 0.54 5.04 -1.26 -4.78 117.35 117.78 2hwf s TYR 205 Ca 0.34 -0.37 -0.03 0.00 -2.44 0.00 0.00 57.07 54.56 2hwf s TYR 205 Cb -0.03 -3.64 -0.02 0.00 0.35 0.00 0.00 41.96 38.62 2hwf s TYR 205 CO 0.26 -1.09 -0.04 0.14 -1.34 0.00 0.00 175.55 173.48 2hwf s VAL 206 N 2.95 3.64 0.00 3.14 -7.23 -1.26 -5.07 120.40 116.56 2hwf s VAL 206 Ca 0.19 -0.43 0.00 0.00 -1.81 0.00 0.00 61.98 59.93 2hwf s VAL 206 Cb -0.17 -2.61 0.00 0.00 0.56 0.00 0.00 36.38 34.15 2hwf s VAL 206 CO 0.14 0.46 0.00 -3.20 -0.31 0.00 0.00 175.10 172.20 2hwf n ASN 207 N 4.04 0.00 0.00 4.85 4.05 -1.26 -4.90 115.26 122.04 2hwf n ASN 207 Ca -0.18 0.00 0.00 0.00 0.45 0.00 0.00 54.58 54.85 2hwf n ASN 207 Cb 0.52 0.00 0.00 0.00 1.23 0.00 0.00 39.78 41.53 2hwf n ASN 207 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 2hwf n ALA 208 N -0.00 0.92 -2.96 5.20 0.00 -1.26 -4.46 120.51 117.95 2hwf n ALA 208 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.28 2hwf n ALA 208 Cb 0.00 -0.62 -0.15 0.00 0.00 0.00 0.00 19.45 18.69 2hwf n ALA 208 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 2hwf s VAL 209 N -1.47 0.40 0.54 0.00 -7.23 -1.26 -5.06 120.40 106.32 2hwf s VAL 209 Ca 0.00 -0.18 0.31 0.00 -1.81 0.00 0.00 61.98 60.30 2hwf s VAL 209 Cb 0.00 -0.36 0.47 0.00 0.56 0.00 0.00 36.38 37.05 2hwf s VAL 209 CO 0.00 0.13 1.90 1.55 -0.31 0.00 0.00 175.10 178.37 2hwf h PRO 210 N 6.28 0.00 -1.87 4.82 0.13 -1.83 -3.39 132.00 136.13 2hwf h PRO 210 Ca -0.31 0.00 0.07 0.00 -0.87 0.00 0.00 66.00 64.90 2hwf h PRO 210 Cb 1.18 0.00 -0.21 0.00 0.13 0.00 0.00 31.00 32.10 2hwf h PRO 210 CO 0.50 0.00 -0.01 -1.64 -0.23 0.00 0.00 178.00 176.61 2hwf s MET 211 N -4.96 0.58 0.41 0.86 -1.94 -1.26 -4.91 119.30 108.07 2hwf s MET 211 Ca -0.05 1.26 0.04 0.00 -1.71 0.00 0.00 55.69 55.24 2hwf s MET 211 Cb 0.21 0.55 0.04 0.00 2.01 0.00 0.00 34.83 37.65 2hwf s MET 211 CO 0.76 -0.17 0.37 -3.47 -0.01 0.00 0.00 175.02 172.50 2hwf n ASP 212 N 4.93 2.10 -4.63 3.03 -0.08 -1.09 -4.82 116.55 115.99 2hwf n ASP 212 Ca -0.15 -2.32 -0.43 0.00 -1.51 0.00 0.00 54.79 50.38 2hwf n ASP 212 Cb 0.53 -0.10 -0.02 0.00 2.34 0.00 0.00 41.12 43.87 2hwf n ASP 212 CO 0.00 0.00 0.00 -0.55 0.12 0.00 0.00 177.20 176.77 2hwf s SER 213 N -3.43 6.82 0.09 1.67 0.15 -1.26 -1.49 113.70 116.26 2hwf s SER 213 Ca 0.28 1.09 0.19 0.00 0.70 0.00 0.00 55.95 58.21 2hwf s SER 213 Cb -0.02 -2.54 0.78 0.00 -1.71 0.00 0.00 66.02 62.53 2hwf s SER 213 CO 0.18 -0.97 1.59 0.23 1.20 0.00 0.00 173.24 175.46 2hwf n MET 214 N 7.09 0.07 -0.13 5.44 2.81 -1.24 -2.63 117.12 128.53 2hwf n MET 214 Ca 0.13 0.29 -0.26 0.00 -1.81 0.00 0.00 57.70 56.05 2hwf n MET 214 Cb 0.47 -1.63 -0.11 0.00 -0.71 0.00 0.00 33.22 31.24 2hwf n MET 214 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 2hwf n LEU 215 N -1.77 2.21 0.12 4.03 4.77 -1.26 -4.59 117.00 120.50 2hwf n LEU 215 Ca 0.03 0.23 -0.01 0.00 -0.03 0.00 0.00 56.01 56.24 2hwf n LEU 215 Cb 0.21 -0.87 0.03 0.00 -2.33 0.00 0.00 43.42 40.46 2hwf n LEU 215 CO 0.17 0.64 0.39 0.03 -1.33 0.00 0.00 177.39 177.29 2hwf h ARG 216 N -0.72 0.00 -4.89 3.23 2.47 -1.98 -3.44 114.38 109.05 2hwf h ARG 216 Ca -0.63 0.00 -0.62 0.00 -1.26 0.00 0.00 59.98 57.48 2hwf h ARG 216 Cb 1.67 0.00 -0.34 0.00 -1.65 0.00 0.00 29.97 29.64 2hwf h ARG 216 CO -0.30 0.66 -0.85 -1.58 0.56 0.00 0.00 179.97 178.46 2hwf s HIS 217 N -3.02 2.21 -0.34 3.04 2.46 -1.08 -5.08 115.29 113.48 2hwf s HIS 217 Ca 0.02 -1.08 -0.10 0.00 0.47 0.00 0.00 55.06 54.37 2hwf s HIS 217 Cb 0.09 -1.56 0.01 0.00 -0.13 0.00 0.00 32.58 30.99 2hwf s HIS 217 CO 0.76 -0.53 0.17 -0.80 -2.47 0.00 0.00 174.74 171.87 2hwf s ASN 218 N 0.95 5.59 -0.11 9.88 0.02 -1.26 -4.53 114.94 125.48 2hwf s ASN 218 Ca -0.06 -0.77 -0.26 0.00 -1.02 0.00 0.00 52.86 50.75 2hwf s ASN 218 Cb -0.15 -2.00 -0.22 0.00 0.02 0.00 0.00 41.25 38.90 2hwf s ASN 218 CO -0.02 -0.28 0.81 -0.55 0.02 0.00 0.00 177.10 177.07 2hwf h ASN 219 N 8.38 -0.01 -3.11 -1.22 -1.07 -1.94 -3.44 115.58 113.16 2hwf h ASN 219 Ca -0.29 -0.79 -0.68 0.00 0.07 0.00 0.00 56.30 54.61 2hwf h ASN 219 Cb 1.12 0.00 -0.12 0.00 -2.07 0.00 0.00 38.32 37.25 2hwf h ASN 219 CO 0.64 0.83 -0.58 0.26 0.07 0.00 0.00 177.43 178.65 2hwf s TRP 220 N -2.60 3.30 -0.07 4.14 0.52 -1.26 -2.13 118.94 120.83 2hwf s TRP 220 Ca -0.17 0.30 0.01 0.00 0.02 0.00 0.00 56.10 56.26 2hwf s TRP 220 Cb -0.02 -1.84 0.02 0.00 -1.15 0.00 0.00 33.47 30.48 2hwf s TRP 220 CO 0.62 0.55 -0.09 0.00 0.02 0.00 0.00 176.95 178.06 2hwf s LEU 222 N 1.07 2.30 -0.02 0.00 2.96 -0.69 0.16 118.68 124.45 2hwf s LEU 222 Ca -0.08 -0.42 0.05 0.00 -0.22 0.00 0.00 54.13 53.46 2hwf s LEU 222 Cb -0.14 -1.44 -0.01 0.00 0.50 0.00 0.00 46.19 45.09 2hwf s LEU 222 CO -0.01 0.26 -0.16 -0.69 -1.32 0.00 0.00 176.35 174.43 2hwf s VAL 223 N -0.23 1.29 -0.09 1.68 1.01 0.25 -2.44 120.40 121.86 2hwf s VAL 223 Ca -0.01 -0.68 0.01 0.00 0.00 0.00 0.00 61.98 61.30 2hwf s VAL 223 Cb -0.13 -1.08 0.02 0.00 0.00 0.00 0.00 36.38 35.18 2hwf s VAL 223 CO 0.03 0.37 -0.10 -0.51 0.00 0.00 0.00 175.10 174.89 2hwf s ILE 224 N -0.23 1.08 -0.08 2.22 2.07 -1.04 -1.22 121.20 124.00 2hwf s ILE 224 Ca 0.03 -0.37 -0.00 0.00 -1.41 0.00 0.00 60.65 58.90 2hwf s ILE 224 Cb -0.08 -1.05 0.02 0.00 0.13 0.00 0.00 42.46 41.49 2hwf s ILE 224 CO 0.00 0.36 -0.04 -0.63 -1.91 0.00 0.00 174.94 172.72 2hwf s ILE 225 N 1.27 0.70 0.06 2.00 1.01 0.11 -2.71 121.20 123.64 2hwf s ILE 225 Ca -0.03 -0.12 -0.31 0.00 0.00 0.00 0.00 60.65 60.20 2hwf s ILE 225 Cb -0.14 -0.76 -0.08 0.00 0.01 0.00 0.00 42.46 41.49 2hwf s ILE 225 CO -0.03 0.30 1.70 -2.16 0.00 0.00 0.00 174.94 174.74 2hwf s PRO 226 N 1.58 4.18 -0.06 2.79 0.04 -1.26 -0.94 135.00 141.33 2hwf s PRO 226 Ca 0.00 2.37 -0.06 0.00 0.04 0.00 0.00 61.00 63.35 2hwf s PRO 226 Cb -0.13 -3.67 -0.02 0.00 0.04 0.00 0.00 34.50 30.72 2hwf s PRO 226 CO -0.05 -0.77 -0.12 -0.89 0.04 0.00 0.00 177.00 175.21 2hwf n ILE 227 N 4.84 0.60 -3.60 0.56 2.08 0.69 -4.86 119.36 119.68 2hwf n ILE 227 Ca 0.16 0.33 -0.38 0.00 0.56 0.00 0.00 62.75 63.42 2hwf n ILE 227 Cb 0.40 -1.76 -0.11 0.00 -0.75 0.00 0.00 39.64 37.42 2hwf n ILE 227 CO 0.00 0.00 0.00 -0.55 0.56 0.00 0.00 176.55 176.56 2hwf s SER 228 N -4.87 5.98 0.25 4.38 0.15 -1.18 -4.98 113.70 113.43 2hwf s SER 228 Ca -0.10 -0.02 -0.30 0.00 0.70 0.00 0.00 55.95 56.23 2hwf s SER 228 Cb 0.01 -2.11 -0.14 0.00 -1.71 0.00 0.00 66.02 62.07 2hwf s SER 228 CO 0.15 -0.05 1.16 -0.81 1.20 0.00 0.00 173.24 174.89 2hwf n PRO 229 N 5.03 1.50 -1.67 5.44 -0.04 -1.26 -1.36 135.00 142.63 2hwf n PRO 229 Ca -0.14 0.53 -0.46 0.00 -0.04 0.00 0.00 63.50 63.39 2hwf n PRO 229 Cb 0.52 -2.01 -0.04 0.00 -0.04 0.00 0.00 33.50 31.92 2hwf n PRO 229 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 2hwf n LEU 230 N 1.59 3.24 -3.57 1.53 7.94 -1.26 -4.41 117.00 122.06 2hwf n LEU 230 Ca 0.11 1.06 -0.25 0.00 -1.11 0.00 0.00 56.01 55.82 2hwf n LEU 230 Cb 0.30 -1.44 -0.16 0.00 0.53 0.00 0.00 43.42 42.66 2hwf n LEU 230 CO 0.61 -0.21 -0.31 -0.13 -1.11 0.00 0.00 177.39 176.25 2hwf s ARG 231 N 1.38 0.11 0.08 1.96 0.52 0.17 -4.77 118.95 118.40 2hwf s ARG 231 Ca 0.80 -0.12 0.00 0.00 -0.52 0.00 0.00 55.73 55.90 2hwf s ARG 231 Cb -0.66 -1.59 0.00 0.00 0.52 0.00 0.00 34.95 33.22 2hwf s ARG 231 CO 0.39 -0.74 0.02 -1.13 0.02 0.00 0.00 175.30 173.86 2hwf n SER 232 N 5.28 1.87 -0.37 0.23 3.41 -1.26 -2.35 113.62 120.43 2hwf n SER 232 Ca -0.06 -1.32 0.00 0.00 -0.26 0.00 0.00 58.87 57.23 2hwf n SER 232 Cb 0.48 0.03 0.00 0.00 -0.26 0.00 0.00 64.21 64.46 2hwf n SER 232 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 2hwf n GLU 233 N -0.37 0.00 -2.68 4.33 4.07 -1.26 -5.06 120.64 119.67 2hwf n GLU 233 Ca -0.02 -0.82 -0.22 0.00 -0.06 0.00 0.00 57.16 56.04 2hwf n GLU 233 Cb 0.10 -0.47 0.06 0.00 -0.06 0.00 0.00 31.44 31.07 2hwf n GLU 233 CO 0.00 0.00 0.00 0.95 -0.06 0.00 0.00 177.13 178.02 2hwf s THR 234 N 0.00 2.43 0.11 6.31 -4.23 -1.26 -5.05 115.64 113.95 2hwf s THR 234 Ca 0.00 -0.69 -0.31 0.00 -1.18 0.00 0.00 61.69 59.51 2hwf s THR 234 Cb 0.00 -2.75 -0.10 0.00 1.34 0.00 0.00 72.50 70.99 2hwf s THR 234 CO 0.00 0.00 1.84 0.28 -0.54 0.00 0.00 174.62 176.20 2hwf s THR 235 N -2.87 2.65 -0.65 3.99 -1.32 -1.26 -4.83 115.64 111.34 2hwf s THR 235 Ca 0.61 0.08 0.00 0.00 -1.21 0.00 0.00 61.69 61.17 2hwf s THR 235 Cb -0.08 -3.05 0.00 0.00 -1.51 0.00 0.00 72.50 67.86 2hwf s THR 235 CO 0.40 -0.00 0.44 -1.20 -2.21 0.00 0.00 174.62 172.05 2hwf n SER 236 N 5.96 1.11 0.04 8.08 7.64 -1.26 0.11 113.62 135.30 2hwf n SER 236 Ca 0.18 -1.30 0.02 0.00 1.01 0.00 0.00 58.87 58.78 2hwf n SER 236 Cb 0.39 -0.33 -0.07 0.00 -1.01 0.00 0.00 64.21 63.19 2hwf n SER 236 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2hwf n SER 237 N 0.35 0.86 -4.55 6.43 2.88 -1.26 -4.65 113.62 113.67 2hwf n SER 237 Ca 0.00 0.37 -0.43 0.00 -1.33 0.00 0.00 58.87 57.48 2hwf n SER 237 Cb 0.22 0.20 -0.05 0.00 -0.75 0.00 0.00 64.21 63.84 2hwf n SER 237 CO 0.00 0.00 0.00 0.20 -1.23 0.00 0.00 175.04 174.01 2hwf s ASN 238 N -5.71 6.46 -0.13 -3.46 0.01 0.29 -4.98 114.94 107.41 2hwf s ASN 238 Ca -0.03 0.01 -0.04 0.00 -0.71 0.00 0.00 52.86 52.09 2hwf s ASN 238 Cb 0.09 -2.43 -0.03 0.00 0.41 0.00 0.00 41.25 39.29 2hwf s ASN 238 CO 0.81 -1.02 0.02 -0.51 -1.51 0.00 0.00 177.10 174.90 2hwf s ILE 239 N 3.61 4.48 -0.42 0.60 2.07 -1.26 -4.97 121.20 125.31 2hwf s ILE 239 Ca 0.34 -0.16 0.04 0.00 -1.41 0.00 0.00 60.65 59.46 2hwf s ILE 239 Cb -0.11 -2.95 0.11 0.00 0.13 0.00 0.00 42.46 39.65 2hwf s ILE 239 CO 0.25 0.54 0.15 0.54 -1.91 0.00 0.00 174.94 174.51 2hwf s VAL 240 N -0.26 2.34 1.30 4.00 0.11 -1.26 -5.06 120.40 121.57 2hwf s VAL 240 Ca 0.07 -2.75 -0.20 0.00 -2.93 0.00 0.00 61.98 56.17 2hwf s VAL 240 Cb -0.12 -2.68 0.32 0.00 -1.53 0.00 0.00 36.38 32.37 2hwf s VAL 240 CO 0.02 -0.70 1.02 -2.16 -3.33 0.00 0.00 175.10 169.95 2hwf s PRO 241 N 0.39 -1.97 -0.13 1.54 0.04 -1.26 -1.22 135.00 132.38 2hwf s PRO 241 Ca 0.14 0.12 -0.04 0.00 0.04 0.00 0.00 61.00 61.26 2hwf s PRO 241 Cb -0.22 -1.49 0.07 0.00 0.04 0.00 0.00 34.50 32.89 2hwf s PRO 241 CO -0.05 -4.24 0.22 0.42 0.04 0.00 0.00 177.00 173.38 2hwf s ILE 242 N -2.62 -0.34 -0.09 0.56 1.01 0.03 -4.44 121.20 115.32 2hwf s ILE 242 Ca 0.69 0.21 0.04 0.00 0.00 0.00 0.00 60.65 61.59 2hwf s ILE 242 Cb -0.13 -0.45 0.00 0.00 0.01 0.00 0.00 42.46 41.89 2hwf s ILE 242 CO 0.58 0.05 -0.21 -0.89 0.00 0.00 0.00 174.94 174.46 2hwf s THR 243 N 2.35 1.81 -0.11 2.92 2.01 -0.56 -0.34 115.64 123.72 2hwf s THR 243 Ca 0.03 -0.88 -0.01 0.00 0.31 0.00 0.00 61.69 61.14 2hwf s THR 243 Cb -0.13 -1.58 -0.03 0.00 0.01 0.00 0.00 72.50 70.77 2hwf s THR 243 CO -0.08 0.51 -0.05 -0.69 -0.69 0.00 0.00 174.62 173.61 2hwf s VAL 244 N 0.41 3.84 -0.03 3.82 1.01 -1.26 -1.26 120.40 126.94 2hwf s VAL 244 Ca -0.17 -0.40 0.05 0.00 0.00 0.00 0.00 61.98 61.45 2hwf s VAL 244 Cb -0.17 -2.63 -0.01 0.00 0.00 0.00 0.00 36.38 33.57 2hwf s VAL 244 CO 0.07 0.55 -0.17 -0.44 0.00 0.00 0.00 175.10 175.12 2hwf s SER 245 N -0.28 2.05 0.06 3.32 0.01 -0.12 -1.46 113.70 117.28 2hwf s SER 245 Ca 0.05 -0.33 0.03 0.00 1.31 0.00 0.00 55.95 57.01 2hwf s SER 245 Cb -0.13 -0.41 -0.03 0.00 0.21 0.00 0.00 66.02 65.67 2hwf s SER 245 CO 0.02 0.18 -0.10 -0.63 0.41 0.00 0.00 173.24 173.12 2hwf s ILE 246 N -0.16 0.78 -0.22 1.44 1.01 0.89 -0.97 121.20 123.97 2hwf s ILE 246 Ca 0.01 -1.21 -0.03 0.00 0.00 0.00 0.00 60.65 59.42 2hwf s ILE 246 Cb -0.09 -0.84 0.07 0.00 0.01 0.00 0.00 42.46 41.60 2hwf s ILE 246 CO 0.01 -0.34 0.05 -0.55 0.00 0.00 0.00 174.94 174.11 2hwf s SER 247 N -1.72 3.10 0.67 3.58 0.15 -1.02 0.02 113.70 118.49 2hwf s SER 247 Ca -0.06 -0.97 -0.17 0.00 0.70 0.00 0.00 55.95 55.45 2hwf s SER 247 Cb -0.09 -0.60 0.00 0.00 -1.71 0.00 0.00 66.02 63.62 2hwf s SER 247 CO 0.01 -0.34 1.26 -2.65 1.20 0.00 0.00 173.24 172.73 2hwf n PRO 248 N 5.05 0.95 -4.09 5.44 -0.02 -1.25 -2.86 135.00 138.23 2hwf n PRO 248 Ca -0.08 0.39 -0.15 0.00 -2.02 0.00 0.00 63.50 61.64 2hwf n PRO 248 Cb 0.46 -2.50 -0.14 0.00 -0.02 0.00 0.00 33.50 31.30 2hwf n PRO 248 CO 0.00 0.00 0.00 -1.64 1.98 0.00 0.00 175.50 175.84 2hwf s MET 249 N -3.46 0.33 -1.42 -0.52 -1.94 0.51 -3.56 119.30 109.24 2hwf s MET 249 Ca 0.81 -0.18 -0.13 0.00 -1.71 0.00 0.00 55.69 54.48 2hwf s MET 249 Cb -0.37 -0.30 0.11 0.00 2.01 0.00 0.00 34.83 36.28 2hwf s MET 249 CO 0.42 0.08 0.61 0.00 -0.01 0.00 0.00 175.02 176.12 2hwf s ALA 251 N -3.05 2.68 -0.17 0.00 0.00 -1.26 -4.50 121.76 115.45 2hwf s ALA 251 Ca 0.54 1.24 -0.13 0.00 0.00 0.00 0.00 51.96 53.61 2hwf s ALA 251 Cb -0.29 -3.54 0.05 0.00 0.00 0.00 0.00 23.12 19.34 2hwf s ALA 251 CO 0.67 -1.36 0.44 -2.00 0.00 0.00 0.00 175.76 173.50 2hwf s GLU 252 N -3.07 0.48 0.21 0.00 2.12 -0.00 -4.55 118.70 113.88 2hwf s GLU 252 Ca 0.75 0.69 0.01 0.00 0.36 0.00 0.00 54.97 56.78 2hwf s GLU 252 Cb -0.38 0.15 -0.05 0.00 0.26 0.00 0.00 34.13 34.12 2hwf s GLU 252 CO 0.43 -0.10 0.06 -0.06 -0.54 0.00 0.00 175.26 175.05 2hwf s PHE 253 N 0.68 1.33 0.00 5.30 0.08 -0.60 -1.15 117.98 123.62 2hwf s PHE 253 Ca -0.04 -1.13 0.00 0.00 0.12 0.00 0.00 56.93 55.88 2hwf s PHE 253 Cb -0.05 -0.76 0.00 0.00 -0.57 0.00 0.00 43.02 41.64 2hwf s PHE 253 CO -0.05 -0.32 0.00 -1.13 -0.10 0.00 0.00 175.22 173.63 2hwf n SER 254 N -0.33 0.00 -0.98 1.36 3.41 -0.23 -0.22 113.62 116.63 2hwf n SER 254 Ca -0.03 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.58 2hwf n SER 254 Cb 0.65 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.60 2hwf n SER 254 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2hwf n GLY 255 N -0.27 0.88 3.77 5.00 0.00 -1.26 -0.73 105.19 112.59 2hwf n GLY 255 Ca 0.00 -0.47 -0.34 0.00 0.00 0.00 0.00 46.02 45.22 2hwf n GLY 255 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2hwf s ALA 256 N -2.65 2.53 0.00 4.61 0.00 -1.26 -0.22 121.76 124.77 2hwf s ALA 256 Ca 0.00 0.64 0.00 0.00 0.00 0.00 0.00 51.96 52.60 2hwf s ALA 256 Cb 0.00 -3.34 0.00 0.00 0.00 0.00 0.00 23.12 19.78 2hwf s ALA 256 CO 0.00 -1.13 0.00 2.89 0.00 0.00 0.00 175.76 177.52 2hwf n ARG 257 N -2.07 -0.36 0.00 0.00 -4.01 -0.81 -4.92 116.66 104.48 2hwf n ARG 257 Ca 0.11 0.00 0.00 0.00 -1.04 0.00 0.00 57.85 56.92 2hwf n ARG 257 Cb 0.52 0.00 0.00 0.00 -3.04 0.00 0.00 32.46 29.94 2hwf n ARG 257 CO 0.00 0.00 0.00 0.00 -3.04 0.00 0.00 177.63 174.59 2hwf n ALA 258 N 0.00 0.00 0.00 2.89 0.00 -1.26 -4.83 120.51 117.30 2hwf n ALA 258 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2hwf n ALA 258 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2hwf n ALA 258 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 2hwf n LYS 259 N 0.00 0.00 0.00 0.00 4.81 -1.26 -4.77 118.16 116.93 2hwf n LYS 259 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 2hwf n LYS 259 Cb 0.00 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.05 2hwf n LYS 259 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 2hwf n ASN 260 N 0.00 0.00 -3.86 3.14 4.13 0.78 -5.00 115.26 114.44 2hwf n ASN 260 Ca 0.00 0.00 -0.11 0.00 1.68 0.00 0.00 54.58 56.15 2hwf n ASN 260 Cb 0.00 0.00 -0.11 0.00 -1.54 0.00 0.00 39.78 38.13 2hwf n ASN 260 CO 0.00 0.00 0.00 -0.51 0.28 0.00 0.00 177.26 177.03 2hwf s ILE 261 N 0.00 0.06 0.65 2.41 2.07 -1.26 -5.03 121.20 120.10 2hwf s ILE 261 Ca 0.00 -0.47 -0.15 0.00 -1.41 0.00 0.00 60.65 58.62 2hwf s ILE 261 Cb 0.00 -0.35 -0.01 0.00 0.13 0.00 0.00 42.46 42.23 2hwf s ILE 261 CO 0.00 -0.26 1.09 -1.59 -1.91 0.00 0.00 174.94 172.28 2hwf s LYS 262 N -0.90 2.90 0.00 3.50 -2.85 -1.26 -5.17 119.74 115.96 2hwf s LYS 262 Ca -0.10 1.32 0.00 0.00 -1.00 0.00 0.00 55.97 56.19 2hwf s LYS 262 Cb -0.06 -1.97 0.00 0.00 -2.06 0.00 0.00 37.83 33.75 2hwf s LYS 262 CO 0.01 -1.16 0.00 0.94 0.10 0.00 0.00 175.35 175.24