#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hgn s VAL 17 N 0.00 4.84 -0.56 2.52 1.01 -0.24 -4.11 120.40 123.86 3hgn s VAL 17 Ca 0.00 1.44 0.00 0.00 0.00 0.00 0.00 61.98 63.42 3hgn s VAL 17 Cb 0.00 -4.03 0.00 0.00 0.00 0.00 0.00 36.38 32.35 3hgn s VAL 17 CO 0.00 0.38 0.00 0.61 0.00 0.00 0.00 175.10 176.09 3hgn n GLY 18 N 2.48 0.38 3.28 4.51 0.00 -1.25 -2.29 105.19 112.30 3hgn n GLY 18 Ca -0.04 -0.69 -0.21 0.00 0.00 0.00 0.00 46.02 45.08 3hgn n GLY 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hgn n GLY 19 N -1.46 0.08 3.21 -0.02 0.00 -1.26 -4.83 105.19 100.91 3hgn n GLY 19 Ca -0.07 -1.93 -0.14 0.00 0.00 0.00 0.00 46.02 43.88 3hgn n GLY 19 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3hgn s THR 20 N -2.82 1.03 0.07 2.61 -4.23 -0.02 -4.91 115.64 107.36 3hgn s THR 20 Ca 0.58 -1.81 -0.31 0.00 -1.18 0.00 0.00 61.69 58.97 3hgn s THR 20 Cb -0.03 -1.56 -0.07 0.00 1.34 0.00 0.00 72.50 72.18 3hgn s THR 20 CO 0.39 -0.64 1.39 -0.70 -0.54 0.00 0.00 174.62 174.53 3hgn s GLU 21 N -3.19 4.31 0.44 3.99 2.12 -1.26 -0.79 118.70 124.32 3hgn s GLU 21 Ca 0.10 2.02 -0.22 0.00 0.36 0.00 0.00 54.97 57.24 3hgn s GLU 21 Cb -0.01 -3.40 -0.09 0.00 0.26 0.00 0.00 34.13 30.90 3hgn s GLU 21 CO 0.00 -0.49 1.03 0.00 -0.54 0.00 0.00 175.26 175.26 3hgn s ALA 22 N 1.66 2.97 0.75 6.30 0.00 -0.25 -4.85 121.76 128.35 3hgn s ALA 22 Ca 0.64 0.62 -0.13 0.00 0.00 0.00 0.00 51.96 53.10 3hgn s ALA 22 Cb -0.34 -3.25 0.05 0.00 0.00 0.00 0.00 23.12 19.57 3hgn s ALA 22 CO 0.29 -0.22 1.12 -0.65 0.00 0.00 0.00 175.76 176.30 3hgn s GLN 23 N -2.93 2.27 0.51 0.00 -1.52 -1.26 -4.87 119.66 111.87 3hgn s GLN 23 Ca 0.63 1.37 0.20 0.00 -1.95 0.00 0.00 55.36 55.60 3hgn s GLN 23 Cb -0.18 -1.89 1.33 0.00 -0.22 0.00 0.00 33.01 32.06 3hgn s GLN 23 CO 0.22 -1.66 2.12 0.00 -0.25 0.00 0.00 175.29 175.72 3hgn h ARG 24 N -0.72 0.00 -0.20 2.91 3.08 -1.99 -2.80 114.38 114.66 3hgn h ARG 24 Ca -0.45 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.60 3hgn h ARG 24 Cb 1.25 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.30 3hgn h ARG 24 CO 0.51 0.07 0.00 0.27 -1.07 0.00 0.00 179.97 179.74 3hgn n ASN 25 N -4.23 3.14 0.08 7.04 0.23 -1.26 -4.73 115.26 115.52 3hgn n ASN 25 Ca -0.03 -2.68 -0.11 0.00 -0.53 0.00 0.00 54.58 51.23 3hgn n ASN 25 Cb 0.15 -0.39 -0.03 0.00 -2.08 0.00 0.00 39.78 37.43 3hgn n ASN 25 CO 0.00 0.00 0.00 0.28 -0.93 0.00 0.00 177.26 176.61 3hgn h SER 26 N 1.28 0.39 -2.09 0.53 0.02 -1.83 -3.40 113.55 108.45 3hgn h SER 26 Ca 0.00 -0.32 -0.55 0.00 -0.84 0.00 0.00 61.79 60.09 3hgn h SER 26 Cb 1.08 -0.12 -0.40 0.00 0.14 0.00 0.00 62.40 63.10 3hgn h SER 26 CO 0.10 1.13 -0.96 0.79 -1.14 0.00 0.00 176.83 176.75 3hgn n TRP 27 N -3.69 1.36 0.71 3.45 7.02 -1.26 -4.96 117.44 120.06 3hgn n TRP 27 Ca -0.05 -3.83 0.09 0.00 -1.02 0.00 0.00 57.50 52.68 3hgn n TRP 27 Cb 0.83 -0.44 0.41 0.00 -2.42 0.00 0.00 31.31 29.70 3hgn n TRP 27 CO 0.00 0.00 0.00 -0.35 -2.02 0.00 0.00 177.69 175.32 3hgn n PRO 28 N 0.64 0.10 0.00 -0.99 -0.04 -1.26 -1.97 135.00 131.48 3hgn n PRO 28 Ca 0.26 0.16 0.13 0.00 -0.04 0.00 0.00 63.50 64.01 3hgn n PRO 28 Cb 0.52 -1.50 0.44 0.00 -0.04 0.00 0.00 33.50 32.92 3hgn n PRO 28 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 3hgn n SER 29 N -1.42 0.35 -4.74 3.54 3.41 -1.22 -2.19 113.62 111.36 3hgn n SER 29 Ca 0.06 -0.09 -0.41 0.00 -0.26 0.00 0.00 58.87 58.17 3hgn n SER 29 Cb 0.18 -0.06 -0.03 0.00 -0.26 0.00 0.00 64.21 64.05 3hgn n SER 29 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 175.04 173.30 3hgn s GLN 30 N -2.89 4.32 0.26 4.33 2.00 -0.83 -0.90 119.66 125.94 3hgn s GLN 30 Ca 0.16 2.19 0.11 0.00 -2.00 0.00 0.00 55.36 55.81 3hgn s GLN 30 Cb 0.18 -3.16 -0.05 0.00 0.80 0.00 0.00 33.01 30.79 3hgn s GLN 30 CO 0.60 -0.37 -0.18 0.96 -0.50 0.00 0.00 175.29 175.80 3hgn s ILE 31 N 0.21 2.27 -0.21 -2.34 -5.25 -0.55 -4.55 121.20 110.77 3hgn s ILE 31 Ca 0.59 -2.35 -0.07 0.00 -0.99 0.00 0.00 60.65 57.83 3hgn s ILE 31 Cb -0.39 -2.24 -0.03 0.00 2.95 0.00 0.00 42.46 42.74 3hgn s ILE 31 CO 0.39 -0.45 0.06 -0.55 -1.79 0.00 0.00 174.94 172.60 3hgn s SER 32 N -3.46 5.31 -0.27 4.36 0.15 -0.62 -2.78 113.70 116.40 3hgn s SER 32 Ca 0.28 -0.08 -0.10 0.00 0.70 0.00 0.00 55.95 56.75 3hgn s SER 32 Cb -0.04 -1.93 -0.05 0.00 -1.71 0.00 0.00 66.02 62.30 3hgn s SER 32 CO 0.13 0.07 0.17 -0.22 1.20 0.00 0.00 173.24 174.59 3hgn s LEU 33 N 0.97 3.99 0.15 3.45 2.96 -0.01 -1.12 118.68 129.08 3hgn s LEU 33 Ca 0.04 0.00 0.10 0.00 -0.22 0.00 0.00 54.13 54.05 3hgn s LEU 33 Cb -0.14 -2.10 -0.04 0.00 0.50 0.00 0.00 46.19 44.41 3hgn s LEU 33 CO 0.03 -0.02 -0.23 -1.10 -1.32 0.00 0.00 176.35 173.72 3hgn s GLN 34 N 1.55 1.35 0.23 1.98 -0.21 -0.28 -1.20 119.66 123.08 3hgn s GLN 34 Ca 0.07 -1.38 0.11 0.00 0.02 0.00 0.00 55.36 54.18 3hgn s GLN 34 Cb -0.15 -1.63 -0.05 0.00 1.00 0.00 0.00 33.01 32.18 3hgn s GLN 34 CO 0.09 0.36 -0.21 1.52 -2.12 0.00 0.00 175.29 174.92 3hgn s TYR 35 N -1.53 2.23 -0.06 0.91 1.13 -0.29 -1.00 117.35 118.73 3hgn s TYR 35 Ca 0.15 -0.37 -0.26 0.00 -1.41 0.00 0.00 57.07 55.18 3hgn s TYR 35 Cb -0.08 -1.04 -0.03 0.00 -1.10 0.00 0.00 41.96 39.71 3hgn s TYR 35 CO 0.07 0.57 0.83 0.50 -2.51 0.00 0.00 175.55 175.01 3hgn s ARG 36 N -3.07 4.45 -0.33 -3.49 3.52 -0.69 -0.94 118.95 118.41 3hgn s ARG 36 Ca 0.24 1.11 0.01 0.00 -0.13 0.00 0.00 55.73 56.96 3hgn s ARG 36 Cb -0.06 -3.48 0.10 0.00 -1.56 0.00 0.00 34.95 29.95 3hgn s ARG 36 CO 0.12 -0.06 0.09 0.45 -0.81 0.00 0.00 175.30 175.09 3hgn s SER 36 N 0.94 4.25 1.62 -2.12 0.15 0.93 -4.81 113.70 114.67 3hgn s SER 36 Ca 0.43 -1.88 0.00 0.00 0.70 0.00 0.00 55.95 55.20 3hgn s SER 36 Cb -0.19 -1.13 0.00 0.00 -1.71 0.00 0.00 66.02 62.99 3hgn s SER 36 CO 0.20 -0.39 0.00 0.61 1.20 0.00 0.00 173.24 174.86 3hgn n GLY 36 N 4.55 1.62 0.16 9.45 0.00 -1.26 -1.54 105.19 118.18 3hgn n GLY 36 Ca 0.01 0.43 0.11 0.00 0.00 0.00 0.00 46.02 46.56 3hgn n GLY 36 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3hgn n SER 36 N 10.24 1.19 -4.73 1.61 3.41 -1.26 -4.98 113.62 119.10 3hgn n SER 36 Ca 0.00 -0.99 -0.29 0.00 -0.26 0.00 0.00 58.87 57.33 3hgn n SER 36 Cb 0.00 0.61 -0.08 0.00 -0.26 0.00 0.00 64.21 64.49 3hgn n SER 36 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 3hgn s SER 37 N -2.80 4.17 -0.01 4.04 1.04 -0.59 -5.15 113.70 114.40 3hgn s SER 37 Ca 0.13 -1.42 0.08 0.00 0.48 0.00 0.00 55.95 55.22 3hgn s SER 37 Cb 0.17 0.05 -0.02 0.00 0.10 0.00 0.00 66.02 66.33 3hgn s SER 37 CO 0.72 -0.71 -0.26 0.26 0.98 0.00 0.00 173.24 174.23 3hgn s TRP 38 N -2.77 2.34 -0.02 5.02 0.52 -1.26 -0.05 118.94 122.72 3hgn s TRP 38 Ca 0.24 -0.43 0.07 0.00 0.02 0.00 0.00 56.10 56.00 3hgn s TRP 38 Cb 0.04 -1.49 -0.02 0.00 -1.15 0.00 0.00 33.47 30.85 3hgn s TRP 38 CO 0.13 -0.02 -0.22 0.00 0.02 0.00 0.00 176.95 176.87 3hgn s ALA 39 N -0.64 1.84 0.23 0.98 0.00 -0.11 -4.93 121.76 119.13 3hgn s ALA 39 Ca 0.10 -0.94 -0.30 0.00 0.00 0.00 0.00 51.96 50.83 3hgn s ALA 39 Cb -0.10 -0.49 -0.09 0.00 0.00 0.00 0.00 23.12 22.44 3hgn s ALA 39 CO -0.01 0.43 1.29 -1.58 0.00 0.00 0.00 175.76 175.89 3hgn s HIS 40 N -0.45 3.25 0.00 0.00 2.46 -1.26 -1.14 115.29 118.15 3hgn s HIS 40 Ca 0.07 1.31 0.00 0.00 0.47 0.00 0.00 55.06 56.90 3hgn s HIS 40 Cb -0.09 -3.59 0.00 0.00 -0.13 0.00 0.00 32.58 28.77 3hgn s HIS 40 CO -0.00 -1.74 0.00 -2.37 -2.47 0.00 0.00 174.74 168.16 3hgn n THR 41 N 2.12 0.00 -3.81 0.89 5.66 -0.35 -4.91 114.28 113.88 3hgn n THR 41 Ca 0.04 0.00 -0.10 0.00 -3.05 0.00 0.00 64.05 60.95 3hgn n THR 41 Cb 0.43 -0.62 -0.06 0.00 -1.55 0.00 0.00 70.33 68.53 3hgn n THR 41 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3hgn n GLY 43 N -0.23 0.38 3.82 0.00 0.00 0.31 -0.83 105.19 108.64 3hgn n GLY 43 Ca -0.11 -1.95 0.00 0.00 0.00 0.00 0.00 46.02 43.96 3hgn n GLY 43 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3hgn s GLY 44 N -4.18 -0.18 -0.11 -0.02 0.00 -1.12 -3.60 107.32 98.11 3hgn s GLY 44 Ca 0.42 0.18 0.02 0.00 0.00 0.00 0.00 44.72 45.34 3hgn s GLY 44 CO 0.28 2.51 -0.15 -1.59 0.00 0.00 0.00 173.10 174.15 3hgn s THR 45 N -2.31 1.48 -0.14 0.90 2.01 -0.20 -1.48 115.64 115.89 3hgn s THR 45 Ca 0.21 -0.64 -0.29 0.00 0.31 0.00 0.00 61.69 61.28 3hgn s THR 45 Cb 0.01 -1.35 -0.03 0.00 0.01 0.00 0.00 72.50 71.14 3hgn s THR 45 CO -0.00 0.44 1.43 -0.22 -0.69 0.00 0.00 174.62 175.58 3hgn s LEU 46 N 0.96 4.17 -0.03 4.42 2.96 -0.08 -0.86 118.68 130.22 3hgn s LEU 46 Ca -0.07 1.83 0.07 0.00 -0.22 0.00 0.00 54.13 55.74 3hgn s LEU 46 Cb -0.15 -3.54 -0.11 0.00 0.50 0.00 0.00 46.19 42.89 3hgn s LEU 46 CO -0.01 -0.89 0.13 2.30 -1.32 0.00 0.00 176.35 176.55 3hgn n ILE 47 N 5.58 0.14 -4.21 6.68 -5.35 -0.40 -0.12 119.36 121.68 3hgn n ILE 47 Ca 0.16 -0.21 -0.12 0.00 -0.27 0.00 0.00 62.75 62.30 3hgn n ILE 47 Cb 0.44 -0.00 -0.10 0.00 -1.74 0.00 0.00 39.64 38.24 3hgn n ILE 47 CO 0.00 0.00 0.00 -0.13 -1.76 0.00 0.00 176.55 174.66 3hgn s ARG 48 N -2.43 1.15 0.48 6.28 1.81 -1.03 -4.73 118.95 120.48 3hgn s ARG 48 Ca -0.03 -1.59 0.32 0.00 -1.72 0.00 0.00 55.73 52.71 3hgn s ARG 48 Cb 0.04 0.13 1.67 0.00 -0.45 0.00 0.00 34.95 36.35 3hgn s ARG 48 CO 0.31 -0.32 1.99 1.96 -0.68 0.00 0.00 175.30 178.56 3hgn h GLN 49 N 2.66 0.00 0.00 3.54 4.20 -1.95 -2.75 115.11 120.81 3hgn h GLN 49 Ca -0.36 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.32 3hgn h GLN 49 Cb 1.23 0.00 -0.07 0.00 0.30 0.00 0.00 27.48 28.94 3hgn h GLN 49 CO 0.57 0.00 -0.43 0.27 -0.67 0.00 0.00 178.83 178.57 3hgn n ASN 50 N -2.68 1.34 -3.89 1.46 6.94 -1.26 -1.29 115.26 115.87 3hgn n ASN 50 Ca -0.01 -2.78 -0.14 0.00 -0.02 0.00 0.00 54.58 51.62 3hgn n ASN 50 Cb 0.11 -0.37 -0.15 0.00 -2.36 0.00 0.00 39.78 37.01 3hgn n ASN 50 CO 0.00 0.00 0.00 0.26 -1.03 0.00 0.00 177.26 176.49 3hgn s TRP 51 N -1.67 0.21 -0.06 -2.53 0.52 -1.04 -1.13 118.94 113.26 3hgn s TRP 51 Ca 0.25 -0.02 0.06 0.00 0.02 0.00 0.00 56.10 56.41 3hgn s TRP 51 Cb 0.24 -0.18 -0.01 0.00 -1.15 0.00 0.00 33.47 32.37 3hgn s TRP 51 CO -0.04 -0.03 -0.25 0.08 0.02 0.00 0.00 176.95 176.74 3hgn s VAL 52 N 0.17 2.08 -0.14 4.03 1.01 -0.30 -1.28 120.40 125.98 3hgn s VAL 52 Ca -0.01 -1.06 -0.11 0.00 0.00 0.00 0.00 61.98 60.79 3hgn s VAL 52 Cb -0.04 -1.75 -0.05 0.00 0.00 0.00 0.00 36.38 34.55 3hgn s VAL 52 CO -0.00 0.57 0.22 -0.32 0.00 0.00 0.00 175.10 175.57 3hgn s MET 53 N -0.18 3.95 0.10 2.72 1.75 -0.04 -0.44 119.30 127.16 3hgn s MET 53 Ca -0.03 -0.00 -0.01 0.00 -1.25 0.00 0.00 55.69 54.40 3hgn s MET 53 Cb -0.14 -3.33 0.00 0.00 2.84 0.00 0.00 34.83 34.21 3hgn s MET 53 CO 0.03 0.48 0.15 -2.37 -0.65 0.00 0.00 175.02 172.66 3hgn n THR 54 N 2.84 0.00 -3.17 10.11 5.66 -0.40 -1.03 114.28 128.29 3hgn n THR 54 Ca -0.16 -0.49 -0.39 0.00 -3.05 0.00 0.00 64.05 59.97 3hgn n THR 54 Cb 0.53 0.31 -0.06 0.00 -1.55 0.00 0.00 70.33 69.56 3hgn n THR 54 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3hgn s ALA 55 N -1.85 3.53 0.29 1.79 0.00 -1.26 -1.20 121.76 123.06 3hgn s ALA 55 Ca 0.08 0.15 0.02 0.00 0.00 0.00 0.00 51.96 52.20 3hgn s ALA 55 Cb -0.00 -2.75 0.56 0.00 0.00 0.00 0.00 23.12 20.93 3hgn s ALA 55 CO 0.06 0.35 1.84 0.00 0.00 0.00 0.00 175.76 178.00 3hgn h ALA 56 N 4.54 1.53 0.00 0.00 0.00 -1.71 -1.91 119.26 121.71 3hgn h ALA 56 Ca -0.48 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.45 3hgn h ALA 56 Cb 1.21 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.79 3hgn h ALA 56 CO 0.65 0.22 0.00 -2.39 0.00 0.00 0.00 179.25 177.73 3hgn n HIS 57 N -4.61 0.25 0.13 0.00 1.44 -1.26 -1.56 115.22 109.61 3hgn n HIS 57 Ca 0.19 0.09 0.00 0.00 -2.01 0.00 0.00 57.72 55.99 3hgn n HIS 57 Cb 0.35 -0.65 0.11 0.00 0.12 0.00 0.00 29.99 29.93 3hgn n HIS 57 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 3hgn n VAL 59 N -3.47 0.29 -0.90 0.00 0.24 -0.60 -4.67 118.33 109.22 3hgn n VAL 59 Ca 0.00 -0.57 -0.19 0.00 -2.04 0.00 0.00 64.34 61.54 3hgn n VAL 59 Cb 0.69 0.95 0.05 0.00 -1.47 0.00 0.00 33.84 34.06 3hgn n VAL 59 CO 0.00 0.00 0.00 -0.90 -2.14 0.00 0.00 176.83 173.79 3hgn n ASP 60 N -0.14 6.41 -4.33 -1.34 5.75 -0.98 -4.90 116.55 117.01 3hgn n ASP 60 Ca 0.00 -3.15 -0.19 0.00 -0.01 0.00 0.00 54.79 51.44 3hgn n ASP 60 Cb 0.12 -1.02 -0.10 0.00 -1.03 0.00 0.00 41.12 39.09 3hgn n ASP 60 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 3hgn s ARG 61 N -2.09 1.29 -1.26 0.11 0.52 -1.26 -5.05 118.95 111.21 3hgn s ARG 61 Ca 0.35 -1.52 -0.14 0.00 -0.52 0.00 0.00 55.73 53.90 3hgn s ARG 61 Cb 0.28 -1.15 0.13 0.00 0.52 0.00 0.00 34.95 34.73 3hgn s ARG 61 CO -0.00 0.20 1.64 0.39 0.02 0.00 0.00 175.30 177.55 3hgn n GLU 62 N -0.15 3.32 -4.02 3.54 -0.58 -1.26 -4.88 120.64 116.61 3hgn n GLU 62 Ca -0.10 -3.56 -0.08 0.00 -0.42 0.00 0.00 57.16 53.00 3hgn n GLU 62 Cb 0.59 -3.17 -0.09 0.00 -0.57 0.00 0.00 31.44 28.20 3hgn n GLU 62 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 3hgn s LEU 63 N 2.12 1.99 -0.16 -4.62 1.43 -1.26 -5.15 118.68 113.03 3hgn s LEU 63 Ca 0.46 -0.91 -0.06 0.00 -1.03 0.00 0.00 54.13 52.59 3hgn s LEU 63 Cb 0.02 0.53 -0.04 0.00 0.03 0.00 0.00 46.19 46.73 3hgn s LEU 63 CO 0.02 -0.67 0.03 -0.89 0.23 0.00 0.00 176.35 175.07 3hgn s THR 64 N -3.92 4.55 0.17 5.49 2.01 -1.26 -5.04 115.64 117.64 3hgn s THR 64 Ca 0.09 -0.13 0.09 0.00 0.31 0.00 0.00 61.69 62.05 3hgn s THR 64 Cb 0.07 -3.02 -0.04 0.00 0.01 0.00 0.00 72.50 69.52 3hgn s THR 64 CO -0.08 0.49 -0.09 -0.36 -0.69 0.00 0.00 174.62 173.88 3hgn s PHE 65 N 0.19 2.65 0.13 4.92 0.08 -1.26 -1.71 117.98 122.98 3hgn s PHE 65 Ca 0.03 -0.21 0.01 0.00 0.12 0.00 0.00 56.93 56.87 3hgn s PHE 65 Cb -0.13 -1.30 -0.04 0.00 -0.57 0.00 0.00 43.02 40.98 3hgn s PHE 65 CO 0.01 0.50 -0.01 -0.98 -0.10 0.00 0.00 175.22 174.65 3hgn s ARG 65 N -2.78 0.95 -0.07 0.44 1.70 -0.17 -3.70 118.95 115.32 3hgn s ARG 65 Ca 0.25 -1.43 0.01 0.00 -0.47 0.00 0.00 55.73 54.08 3hgn s ARG 65 Cb -0.09 -0.11 -0.03 0.00 -0.57 0.00 0.00 34.95 34.15 3hgn s ARG 65 CO 0.15 -0.12 -0.08 0.08 -1.08 0.00 0.00 175.30 174.25 3hgn s VAL 66 N -3.74 3.58 -0.16 4.99 1.01 -0.12 -1.12 120.40 124.83 3hgn s VAL 66 Ca 0.19 -0.52 0.02 0.00 0.00 0.00 0.00 61.98 61.66 3hgn s VAL 66 Cb 0.06 -2.46 0.01 0.00 0.00 0.00 0.00 36.38 34.00 3hgn s VAL 66 CO -0.00 0.59 -0.20 -0.69 0.00 0.00 0.00 175.10 174.79 3hgn s VAL 67 N -0.70 2.12 0.21 2.92 1.01 -0.28 -1.17 120.40 124.52 3hgn s VAL 67 Ca 0.11 -0.94 0.06 0.00 0.00 0.00 0.00 61.98 61.21 3hgn s VAL 67 Cb -0.11 -1.87 -0.04 0.00 0.00 0.00 0.00 36.38 34.36 3hgn s VAL 67 CO 0.01 0.54 0.16 0.68 0.00 0.00 0.00 175.10 176.50 3hgn s VAL 68 N 1.02 4.43 -0.68 2.92 -7.23 -0.70 -1.58 120.40 118.58 3hgn s VAL 68 Ca -0.02 -1.27 0.00 0.00 -1.81 0.00 0.00 61.98 58.88 3hgn s VAL 68 Cb -0.14 -3.34 0.00 0.00 0.56 0.00 0.00 36.38 33.46 3hgn s VAL 68 CO -0.06 -0.24 0.00 0.61 -0.31 0.00 0.00 175.10 175.09 3hgn n GLY 69 N -0.80 0.87 3.80 2.32 0.00 -1.25 -1.38 105.19 108.75 3hgn n GLY 69 Ca -0.08 -0.65 -0.39 0.00 0.00 0.00 0.00 46.02 44.90 3hgn n GLY 69 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3hgn s GLU 70 N -2.41 4.34 0.10 1.61 2.56 -1.26 -3.53 118.70 120.09 3hgn s GLU 70 Ca 0.00 0.90 0.00 0.00 0.00 0.00 0.00 54.97 55.87 3hgn s GLU 70 Cb 0.00 -3.20 0.00 0.00 2.00 0.00 0.00 34.13 32.93 3hgn s GLU 70 CO 0.00 0.58 0.00 1.58 -0.56 0.00 0.00 175.26 176.86 3hgn n HIS 71 N 1.53 -0.44 -3.92 5.30 -0.00 -1.26 -4.94 115.22 111.50 3hgn n HIS 71 Ca -0.08 0.08 -0.35 0.00 -0.00 0.00 0.00 57.72 57.37 3hgn n HIS 71 Cb 0.50 0.15 -0.14 0.00 -0.00 0.00 0.00 29.99 30.50 3hgn n HIS 71 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 176.34 177.55 3hgn s ASN 72 N -5.47 4.32 0.54 0.26 3.84 -1.26 -1.84 114.94 115.33 3hgn s ASN 72 Ca 0.00 -0.55 0.26 0.00 0.21 0.00 0.00 52.86 52.78 3hgn s ASN 72 Cb 0.00 -1.72 1.55 0.00 -0.55 0.00 0.00 41.25 40.53 3hgn s ASN 72 CO 0.00 -0.06 2.15 -0.07 -2.79 0.00 0.00 177.10 176.33 3hgn h LEU 73 N 8.09 0.00 -2.90 3.21 3.38 -1.31 -3.15 115.31 122.63 3hgn h LEU 73 Ca -0.39 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.58 3hgn h LEU 73 Cb 1.14 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.89 3hgn h LEU 73 CO 0.60 0.07 0.00 0.59 0.09 0.00 0.00 178.44 179.79 3hgn n ASN 74 N -3.87 3.12 -3.94 -0.43 3.02 -1.26 -4.99 115.26 106.92 3hgn n ASN 74 Ca -0.02 -2.07 -0.10 0.00 -0.03 0.00 0.00 54.58 52.35 3hgn n ASN 74 Cb 0.16 -0.28 -0.11 0.00 -0.61 0.00 0.00 39.78 38.94 3hgn n ASN 74 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 3hgn s GLN 75 N -1.13 0.29 -0.06 3.52 -0.21 -1.19 -5.11 119.66 115.77 3hgn s GLN 75 Ca 0.27 -0.45 -0.30 0.00 0.02 0.00 0.00 55.36 54.91 3hgn s GLN 75 Cb 0.15 0.11 -0.06 0.00 1.00 0.00 0.00 33.01 34.21 3hgn s GLN 75 CO 0.17 -0.05 1.76 1.21 -2.12 0.00 0.00 175.29 176.26 3hgn s ASN 76 N -1.17 6.52 0.23 5.90 2.47 -1.26 -4.64 114.94 123.00 3hgn s ASN 76 Ca -0.13 2.26 0.23 0.00 0.42 0.00 0.00 52.86 55.64 3hgn s ASN 76 Cb -0.08 -2.53 0.10 0.00 -1.45 0.00 0.00 41.25 37.29 3hgn s ASN 76 CO -0.00 -1.05 1.17 0.44 -3.72 0.00 0.00 177.10 173.94 3hgn h ASP 77 N 10.22 0.00 0.00 -4.21 5.19 -1.92 -3.48 116.42 122.21 3hgn h ASP 77 Ca -0.41 -0.03 0.00 0.00 -0.62 0.00 0.00 57.03 55.97 3hgn h ASP 77 Cb 1.19 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.70 3hgn h ASP 77 CO 0.96 0.01 0.00 0.61 -3.12 0.00 0.00 179.24 177.70 3hgn n GLY 78 N 1.19 0.60 0.00 2.75 0.00 -1.26 -4.88 105.19 103.58 3hgn n GLY 78 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 3hgn n GLY 78 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3hgn n THR 79 N -2.79 0.00 -2.48 2.61 -2.24 -1.26 -5.10 114.28 103.01 3hgn n THR 79 Ca 0.00 -0.21 -0.37 0.00 -2.27 0.00 0.00 64.05 61.20 3hgn n THR 79 Cb 0.00 1.34 -0.03 0.00 -2.10 0.00 0.00 70.33 69.54 3hgn n THR 79 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 3hgn s GLU 80 N -0.17 4.13 -0.06 -0.78 8.01 -1.23 -4.43 118.70 124.17 3hgn s GLU 80 Ca 0.00 1.59 0.03 0.00 0.01 0.00 0.00 54.97 56.60 3hgn s GLU 80 Cb 0.00 -2.57 0.00 0.00 -4.31 0.00 0.00 34.13 27.25 3hgn s GLU 80 CO 0.00 -0.19 -0.16 -0.65 0.01 0.00 0.00 175.26 174.28 3hgn s GLN 81 N -2.45 1.85 -0.18 1.61 -0.21 -0.48 -4.99 119.66 114.81 3hgn s GLN 81 Ca 0.58 -0.55 -0.04 0.00 0.02 0.00 0.00 55.36 55.37 3hgn s GLN 81 Cb -0.24 -1.55 -0.02 0.00 1.00 0.00 0.00 33.01 32.20 3hgn s GLN 81 CO 0.30 0.15 -0.03 0.71 -2.12 0.00 0.00 175.29 174.30 3hgn s TYR 82 N 0.32 3.00 -0.00 0.91 1.51 -1.26 -1.72 117.35 120.11 3hgn s TYR 82 Ca -0.10 -0.48 -0.00 0.00 -1.01 0.00 0.00 57.07 55.48 3hgn s TYR 82 Cb -0.14 -2.02 0.00 0.00 -0.11 0.00 0.00 41.96 39.69 3hgn s TYR 82 CO 0.03 -0.20 0.00 0.08 -1.11 0.00 0.00 175.55 174.35 3hgn s VAL 83 N 0.77 -0.00 0.77 0.71 1.01 -0.31 -5.01 120.40 118.34 3hgn s VAL 83 Ca -0.01 0.02 -0.12 0.00 0.00 0.00 0.00 61.98 61.87 3hgn s VAL 83 Cb -0.14 -0.02 0.06 0.00 0.00 0.00 0.00 36.38 36.27 3hgn s VAL 83 CO 0.02 0.01 1.11 -0.83 0.00 0.00 0.00 175.10 175.40 3hgn s GLY 84 N 0.08 1.62 -0.25 4.51 0.00 -1.26 -0.95 107.32 111.07 3hgn s GLY 84 Ca -0.01 -0.30 -0.08 0.00 0.00 0.00 0.00 44.72 44.33 3hgn s GLY 84 CO -0.00 0.12 0.10 0.14 0.00 0.00 0.00 173.10 173.46 3hgn s VAL 85 N -3.26 4.63 -0.14 1.40 1.01 -1.24 -0.80 120.40 121.99 3hgn s VAL 85 Ca 0.60 -0.06 0.11 0.00 0.00 0.00 0.00 61.98 62.62 3hgn s VAL 85 Cb -0.13 -3.17 -0.23 0.00 0.00 0.00 0.00 36.38 32.84 3hgn s VAL 85 CO 0.53 0.32 0.29 1.67 0.00 0.00 0.00 175.10 177.91 3hgn n GLN 86 N 4.89 0.67 -3.75 2.72 7.27 0.45 -4.84 117.38 124.79 3hgn n GLN 86 Ca -0.16 0.16 -0.13 0.00 0.07 0.00 0.00 57.00 56.95 3hgn n GLN 86 Cb 0.52 -1.65 -0.11 0.00 2.41 0.00 0.00 30.24 31.41 3hgn n GLN 86 CO 0.00 0.00 0.00 0.21 0.07 0.00 0.00 177.06 177.34 3hgn s LYS 87 N -2.54 0.41 -0.17 3.69 2.20 -1.06 -4.99 119.74 117.28 3hgn s LYS 87 Ca -0.13 0.50 -0.00 0.00 -0.36 0.00 0.00 55.97 55.98 3hgn s LYS 87 Cb 0.07 0.20 -0.00 0.00 -1.51 0.00 0.00 37.83 36.59 3hgn s LYS 87 CO 0.79 -0.05 -0.14 0.42 -0.36 0.00 0.00 175.35 176.01 3hgn s ILE 88 N 0.21 2.76 -0.30 5.43 1.01 -1.26 -1.06 121.20 127.99 3hgn s ILE 88 Ca -0.00 -0.73 0.01 0.00 0.00 0.00 0.00 60.65 59.93 3hgn s ILE 88 Cb -0.03 -2.18 0.07 0.00 0.01 0.00 0.00 42.46 40.33 3hgn s ILE 88 CO 0.00 0.50 -0.01 -0.69 0.00 0.00 0.00 174.94 174.74 3hgn s VAL 89 N 0.96 2.58 0.23 2.92 1.01 0.31 -5.00 120.40 123.40 3hgn s VAL 89 Ca -0.02 -1.74 -0.17 0.00 0.00 0.00 0.00 61.98 60.05 3hgn s VAL 89 Cb -0.15 -2.60 -0.08 0.00 0.00 0.00 0.00 36.38 33.55 3hgn s VAL 89 CO -0.02 -0.23 0.69 -0.69 0.00 0.00 0.00 175.10 174.84 3hgn s VAL 90 N 1.12 4.67 0.18 2.92 1.01 -1.26 -1.00 120.40 128.03 3hgn s VAL 90 Ca -0.02 1.08 -0.33 0.00 0.00 0.00 0.00 61.98 62.70 3hgn s VAL 90 Cb -0.20 -3.76 -0.14 0.00 0.00 0.00 0.00 36.38 32.28 3hgn s VAL 90 CO -0.04 0.10 1.42 1.57 0.00 0.00 0.00 175.10 178.15 3hgn n HIS 91 N 0.41 1.99 0.30 5.22 -0.00 -0.84 -4.85 115.22 117.45 3hgn n HIS 91 Ca -0.01 0.44 0.17 0.00 0.46 0.00 0.00 57.72 58.79 3hgn n HIS 91 Cb 0.52 -2.44 0.85 0.00 -0.12 0.00 0.00 29.99 28.79 3hgn n HIS 91 CO 0.00 0.00 0.00 -1.35 0.46 0.00 0.00 176.34 175.45 3hgn h PRO 92 N 4.69 0.00 -0.05 1.57 0.11 -1.93 -2.12 132.00 134.27 3hgn h PRO 92 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 3hgn h PRO 92 Cb 1.29 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.40 3hgn h PRO 92 CO 0.79 0.00 0.00 0.66 -0.21 0.00 0.00 178.00 179.24 3hgn n TYR 93 N -2.80 0.03 -2.15 0.65 0.53 -1.26 -4.92 117.16 107.24 3hgn n TYR 93 Ca -0.01 -0.02 -0.41 0.00 -1.02 0.00 0.00 57.90 56.45 3hgn n TYR 93 Cb 0.15 0.00 -0.02 0.00 -1.03 0.00 0.00 39.34 38.43 3hgn n TYR 93 CO 0.00 0.00 0.00 -0.46 -1.02 0.00 0.00 176.86 175.38 3hgn s TRP 94 N -1.97 3.13 -0.16 -0.72 -0.11 -0.80 -4.89 118.94 113.41 3hgn s TRP 94 Ca 0.33 1.36 0.01 0.00 1.22 0.00 0.00 56.10 59.02 3hgn s TRP 94 Cb 0.20 -3.65 0.01 0.00 -1.50 0.00 0.00 33.47 28.53 3hgn s TRP 94 CO 0.32 -1.84 -0.19 1.21 -4.62 0.00 0.00 176.95 171.83 3hgn s ASN 95 N -0.28 3.32 0.18 5.86 2.47 -1.26 -5.02 114.94 120.20 3hgn s ASN 95 Ca 0.51 -0.58 -0.33 0.00 0.42 0.00 0.00 52.86 52.88 3hgn s ASN 95 Cb -0.39 -1.50 -0.15 0.00 -1.45 0.00 0.00 41.25 37.76 3hgn s ASN 95 CO 0.48 0.04 1.24 0.41 -3.72 0.00 0.00 177.10 175.56 3hgn n THR 96 N 4.33 0.83 -4.29 -5.21 -1.04 -1.26 -1.31 114.28 106.33 3hgn n THR 96 Ca -0.20 -0.21 -0.36 0.00 -2.04 0.00 0.00 64.05 61.24 3hgn n THR 96 Cb 0.51 -1.01 -0.05 0.00 -1.82 0.00 0.00 70.33 67.96 3hgn n THR 96 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 3hgn n ASP 97 N 2.11 -2.19 -3.38 8.00 8.00 -1.26 -4.92 116.55 122.91 3hgn n ASP 97 Ca 0.14 -1.10 -0.26 0.00 0.71 0.00 0.00 54.79 54.29 3hgn n ASP 97 Cb 0.26 -2.39 -0.08 0.00 -0.02 0.00 0.00 41.12 38.89 3hgn n ASP 97 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 3hgn n ASP 98 N -2.66 1.52 -1.94 -2.24 -0.08 -0.43 -5.11 116.55 105.61 3hgn n ASP 98 Ca 0.00 -2.94 -0.00 0.00 -1.51 0.00 0.00 54.79 50.35 3hgn n ASP 98 Cb 0.52 -0.65 -0.00 0.00 2.34 0.00 0.00 41.12 43.33 3hgn n ASP 98 CO 0.00 0.00 0.00 1.33 0.12 0.00 0.00 177.20 178.65 3hgn n VAL 99 N 1.53 0.28 0.00 5.18 0.24 -1.26 -4.06 118.33 120.24 3hgn n VAL 99 Ca 0.25 -0.07 0.00 0.00 -2.04 0.00 0.00 64.34 62.48 3hgn n VAL 99 Cb 0.46 -1.08 0.00 0.00 -1.47 0.00 0.00 33.84 31.76 3hgn n VAL 99 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3hgn n ALA 99 N 1.94 0.00 0.00 2.33 0.00 -1.26 -4.82 120.51 118.70 3hgn n ALA 99 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3hgn n ALA 99 Cb 0.07 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.52 3hgn n ALA 99 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hgn n GLY 100 N 0.00 -1.75 2.38 0.00 0.00 -1.26 -4.99 105.19 99.57 3hgn n GLY 100 Ca 0.00 -1.65 -0.17 0.00 0.00 0.00 0.00 46.02 44.20 3hgn n GLY 100 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3hgn n TYR 101 N 0.00 -0.54 -2.59 1.61 4.01 -1.26 -4.69 117.16 113.70 3hgn n TYR 101 Ca 0.00 0.00 -0.43 0.00 -0.16 0.00 0.00 57.90 57.31 3hgn n TYR 101 Cb 0.00 -3.25 0.00 0.00 -0.31 0.00 0.00 39.34 35.78 3hgn n TYR 101 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 3hgn n ASP 102 N -1.07 4.94 -3.67 7.72 2.03 -1.26 -4.37 116.55 120.87 3hgn n ASP 102 Ca -0.19 -2.95 -0.14 0.00 0.52 0.00 0.00 54.79 52.02 3hgn n ASP 102 Cb 0.62 -1.64 -0.08 0.00 -0.72 0.00 0.00 41.12 39.30 3hgn n ASP 102 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 3hgn s ILE 103 N 2.66 0.01 0.01 5.18 2.07 -1.26 -4.07 121.20 125.80 3hgn s ILE 103 Ca 0.47 -0.06 -0.15 0.00 -1.41 0.00 0.00 60.65 59.51 3hgn s ILE 103 Cb 0.03 -0.78 0.02 0.00 0.13 0.00 0.00 42.46 41.87 3hgn s ILE 103 CO 0.02 -0.03 0.31 0.00 -1.91 0.00 0.00 174.94 173.33 3hgn s ALA 104 N -0.14 -0.76 -0.03 1.50 0.00 -0.34 -1.99 121.76 120.00 3hgn s ALA 104 Ca -0.03 0.21 0.05 0.00 0.00 0.00 0.00 51.96 52.19 3hgn s ALA 104 Cb -0.03 0.17 -0.02 0.00 0.00 0.00 0.00 23.12 23.23 3hgn s ALA 104 CO 0.03 -0.32 -0.18 -0.51 0.00 0.00 0.00 175.76 174.78 3hgn s LEU 105 N -1.61 2.54 -0.16 0.00 1.43 -0.17 -1.27 118.68 119.43 3hgn s LEU 105 Ca -0.10 -0.29 0.01 0.00 -1.03 0.00 0.00 54.13 52.73 3hgn s LEU 105 Cb -0.03 -1.49 0.01 0.00 0.03 0.00 0.00 46.19 44.70 3hgn s LEU 105 CO 0.01 0.33 -0.20 -0.76 0.23 0.00 0.00 176.35 175.97 3hgn s LEU 106 N -0.75 2.20 -0.14 1.79 1.43 0.41 -0.53 118.68 123.09 3hgn s LEU 106 Ca 0.11 -0.59 -0.20 0.00 -1.03 0.00 0.00 54.13 52.42 3hgn s LEU 106 Cb -0.10 -1.49 -0.04 0.00 0.03 0.00 0.00 46.19 44.60 3hgn s LEU 106 CO 0.00 0.05 0.56 -0.60 0.23 0.00 0.00 176.35 176.59 3hgn s ARG 107 N 1.01 4.30 0.41 1.70 3.52 -0.23 -1.14 118.95 128.52 3hgn s ARG 107 Ca -0.02 0.56 -0.14 0.00 -0.13 0.00 0.00 55.73 56.00 3hgn s ARG 107 Cb -0.15 -3.49 -0.08 0.00 -1.56 0.00 0.00 34.95 29.67 3hgn s ARG 107 CO -0.06 -0.00 0.83 -0.51 -0.81 0.00 0.00 175.30 174.75 3hgn s LEU 108 N 1.13 3.86 0.51 -0.88 1.43 -0.28 -0.41 118.68 124.03 3hgn s LEU 108 Ca 0.28 1.33 0.29 0.00 -1.03 0.00 0.00 54.13 55.00 3hgn s LEU 108 Cb -0.16 -4.20 1.26 0.00 0.03 0.00 0.00 46.19 43.12 3hgn s LEU 108 CO 0.12 -0.38 1.96 0.00 0.23 0.00 0.00 176.35 178.27 3hgn h ALA 109 N 1.53 1.06 -2.58 4.21 0.00 -1.30 -3.43 119.26 118.76 3hgn h ALA 109 Ca -0.47 -0.10 -0.08 0.00 0.00 0.00 0.00 54.91 54.25 3hgn h ALA 109 Cb 1.18 -0.02 -0.14 0.00 0.00 0.00 0.00 17.79 18.81 3hgn h ALA 109 CO 0.63 0.14 -0.28 1.14 0.00 0.00 0.00 179.25 180.89 3hgn s GLN 110 N -3.78 0.89 0.33 0.00 -2.07 -1.26 -5.03 119.66 108.74 3hgn s GLN 110 Ca -0.00 -0.82 -0.26 0.00 -1.82 0.00 0.00 55.36 52.46 3hgn s GLN 110 Cb 0.10 0.37 -0.10 0.00 -1.09 0.00 0.00 33.01 32.30 3hgn s GLN 110 CO 0.58 -0.30 0.97 -1.12 -1.32 0.00 0.00 175.29 174.10 3hgn s SER 111 N -2.71 7.23 0.39 12.60 0.01 -1.26 -4.71 113.70 125.25 3hgn s SER 111 Ca 0.03 1.91 -0.00 0.00 1.31 0.00 0.00 55.95 59.19 3hgn s SER 111 Cb 0.03 -2.58 -0.03 0.00 0.21 0.00 0.00 66.02 63.65 3hgn s SER 111 CO -0.10 -0.15 0.61 0.68 0.41 0.00 0.00 173.24 174.69 3hgn s VAL 112 N -1.58 4.83 -0.02 3.43 -7.23 -0.41 -4.99 120.40 114.43 3hgn s VAL 112 Ca 0.51 -0.38 -0.16 0.00 -1.81 0.00 0.00 61.98 60.14 3hgn s VAL 112 Cb -0.20 -3.78 -0.05 0.00 0.56 0.00 0.00 36.38 32.90 3hgn s VAL 112 CO 0.26 -0.55 0.43 -0.89 -0.31 0.00 0.00 175.10 174.04 3hgn s THR 113 N -2.43 5.04 0.21 5.32 2.01 -1.26 -4.86 115.64 119.68 3hgn s THR 113 Ca 0.43 0.89 -0.14 0.00 0.31 0.00 0.00 61.69 63.18 3hgn s THR 113 Cb -0.10 -3.75 -0.08 0.00 0.01 0.00 0.00 72.50 68.59 3hgn s THR 113 CO 0.38 0.52 0.61 -0.76 -0.69 0.00 0.00 174.62 174.68 3hgn s LEU 114 N -0.68 4.24 0.00 4.42 1.43 -1.26 -4.82 118.68 122.01 3hgn s LEU 114 Ca 0.24 1.13 0.00 0.00 -1.03 0.00 0.00 54.13 54.47 3hgn s LEU 114 Cb -0.16 -3.58 0.00 0.00 0.03 0.00 0.00 46.19 42.47 3hgn s LEU 114 CO 0.13 -0.01 0.00 -0.46 0.23 0.00 0.00 176.35 176.24 3hgn n ASN 115 N 0.32 0.00 0.13 2.29 0.23 -0.38 -4.96 115.26 112.89 3hgn n ASN 115 Ca -0.02 -0.88 0.11 0.00 -0.53 0.00 0.00 54.58 53.26 3hgn n ASN 115 Cb 0.52 0.00 0.49 0.00 -2.08 0.00 0.00 39.78 38.71 3hgn n ASN 115 CO 0.00 0.00 0.00 -1.54 -0.93 0.00 0.00 177.26 174.79 3hgn n SER 116 N -0.70 0.62 -0.00 0.53 3.41 -1.26 -2.25 113.62 113.98 3hgn n SER 116 Ca 0.00 0.67 0.10 0.00 -0.26 0.00 0.00 58.87 59.38 3hgn n SER 116 Cb 0.00 -0.80 -0.12 0.00 -0.26 0.00 0.00 64.21 63.03 3hgn n SER 116 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 3hgn n TYR 117 N -2.21 0.00 -3.58 7.33 4.01 -1.26 -4.73 117.16 116.73 3hgn n TYR 117 Ca 0.02 0.00 -0.28 0.00 -0.16 0.00 0.00 57.90 57.48 3hgn n TYR 117 Cb 0.20 -0.02 -0.16 0.00 -0.31 0.00 0.00 39.34 39.05 3hgn n TYR 117 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 3hgn s VAL 118 N -2.98 -0.04 0.09 -0.72 1.01 -0.95 -3.94 120.40 112.86 3hgn s VAL 118 Ca 0.07 -0.53 0.00 0.00 0.00 0.00 0.00 61.98 61.52 3hgn s VAL 118 Cb 0.16 -0.83 -0.04 0.00 0.00 0.00 0.00 36.38 35.66 3hgn s VAL 118 CO 0.86 -0.54 -0.02 -1.10 0.00 0.00 0.00 175.10 174.29 3hgn s GLN 119 N 2.10 0.77 0.27 2.72 -1.52 -0.93 -1.25 119.66 121.82 3hgn s GLN 119 Ca 0.06 -1.32 -0.29 0.00 -1.95 0.00 0.00 55.36 51.86 3hgn s GLN 119 Cb -0.16 0.05 -0.09 0.00 -0.22 0.00 0.00 33.01 32.58 3hgn s GLN 119 CO -0.25 -0.11 1.03 -0.51 -0.25 0.00 0.00 175.29 175.20 3hgn s LEU 120 N -3.00 4.56 0.27 2.90 1.43 -1.26 -3.43 118.68 120.15 3hgn s LEU 120 Ca 0.13 2.12 -0.29 0.00 -1.03 0.00 0.00 54.13 55.05 3hgn s LEU 120 Cb 0.07 -3.66 -0.09 0.00 0.03 0.00 0.00 46.19 42.53 3hgn s LEU 120 CO -0.05 -0.04 1.21 -0.83 0.23 0.00 0.00 176.35 176.87 3hgn s GLY 121 N -1.06 2.91 -0.05 -3.19 0.00 0.84 -4.83 107.32 101.93 3hgn s GLY 121 Ca 0.44 1.06 -0.25 0.00 0.00 0.00 0.00 44.72 45.97 3hgn s GLY 121 CO 0.36 1.77 0.75 0.14 0.00 0.00 0.00 173.10 176.12 3hgn s VAL 122 N -0.83 5.00 0.15 1.40 1.01 -1.26 -4.80 120.40 121.07 3hgn s VAL 122 Ca 0.49 1.55 -0.02 0.00 0.00 0.00 0.00 61.98 64.00 3hgn s VAL 122 Cb -0.35 -4.09 -0.05 0.00 0.00 0.00 0.00 36.38 31.89 3hgn s VAL 122 CO 0.44 0.25 0.34 -0.76 0.00 0.00 0.00 175.10 175.36 3hgn s LEU 123 N 0.77 4.28 0.75 3.92 1.43 -1.26 -0.75 118.68 127.82 3hgn s LEU 123 Ca 0.40 0.42 -0.11 0.00 -1.03 0.00 0.00 54.13 53.81 3hgn s LEU 123 Cb -0.18 -3.15 0.04 0.00 0.03 0.00 0.00 46.19 42.92 3hgn s LEU 123 CO 0.20 0.04 1.08 -2.16 0.23 0.00 0.00 176.35 175.74 3hgn s PRO 124 N -2.92 2.50 0.52 1.29 0.04 -1.26 -4.91 135.00 130.27 3hgn s PRO 124 Ca 0.38 0.82 -0.21 0.00 0.04 0.00 0.00 61.00 62.03 3hgn s PRO 124 Cb -0.12 -1.95 -0.06 0.00 0.04 0.00 0.00 34.50 32.41 3hgn s PRO 124 CO 0.27 -1.37 1.23 1.03 0.04 0.00 0.00 177.00 178.20 3hgn s ARG 125 N -5.09 3.36 0.19 4.56 1.81 -1.26 -4.85 118.95 117.66 3hgn s ARG 125 Ca 0.59 1.91 -0.33 0.00 -1.72 0.00 0.00 55.73 56.19 3hgn s ARG 125 Cb -0.14 -2.22 -0.15 0.00 -0.45 0.00 0.00 34.95 31.99 3hgn s ARG 125 CO 0.55 -0.92 1.32 0.00 -0.68 0.00 0.00 175.30 175.57 3hgn n ALA 126 N -0.97 0.14 -0.09 2.13 0.00 -1.26 -2.27 120.51 118.20 3hgn n ALA 126 Ca 0.10 0.45 0.00 0.00 0.00 0.00 0.00 53.44 53.99 3hgn n ALA 126 Cb 0.48 -2.16 0.00 0.00 0.00 0.00 0.00 19.45 17.77 3hgn n ALA 126 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hgn n GLY 127 N 2.28 1.84 3.73 0.00 0.00 -0.63 -5.00 105.19 107.40 3hgn n GLY 127 Ca 0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 3hgn n GLY 127 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3hgn s THR 128 N -2.76 2.57 -0.06 2.61 2.01 -0.96 -5.00 115.64 114.05 3hgn s THR 128 Ca 0.00 0.43 0.05 0.00 0.31 0.00 0.00 61.69 62.47 3hgn s THR 128 Cb 0.00 -3.27 -0.00 0.00 0.01 0.00 0.00 72.50 69.23 3hgn s THR 128 CO 0.00 0.04 -0.21 -0.63 -0.69 0.00 0.00 174.62 173.14 3hgn s ILE 129 N 0.82 1.72 0.14 1.82 -1.09 -1.26 -4.77 121.20 118.59 3hgn s ILE 129 Ca 0.67 -0.87 -0.27 0.00 -2.23 0.00 0.00 60.65 57.96 3hgn s ILE 129 Cb -0.44 -1.47 -0.07 0.00 -1.58 0.00 0.00 42.46 38.90 3hgn s ILE 129 CO 0.35 0.49 0.84 -0.76 -1.23 0.00 0.00 174.94 174.62 3hgn s LEU 130 N 0.05 4.56 0.67 2.97 1.43 -1.26 -5.05 118.68 122.05 3hgn s LEU 130 Ca -0.07 1.68 -0.17 0.00 -1.03 0.00 0.00 54.13 54.55 3hgn s LEU 130 Cb -0.13 -3.39 -0.03 0.00 0.03 0.00 0.00 46.19 42.66 3hgn s LEU 130 CO 0.04 0.11 0.78 0.00 0.23 0.00 0.00 176.35 177.51 3hgn n ALA 131 N 2.04 -0.62 -1.61 4.21 0.00 -1.26 -4.89 120.51 118.39 3hgn n ALA 131 Ca -0.03 -0.13 -0.41 0.00 0.00 0.00 0.00 53.44 52.87 3hgn n ALA 131 Cb 0.49 -2.00 0.01 0.00 0.00 0.00 0.00 19.45 17.95 3hgn n ALA 131 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3hgn n ASN 132 N -0.76 1.25 -1.78 0.00 5.15 -1.26 -2.62 115.26 115.24 3hgn n ASN 132 Ca 0.12 1.03 -0.16 0.00 -0.60 0.00 0.00 54.58 54.97 3hgn n ASN 132 Cb 0.49 -1.35 -0.02 0.00 -0.53 0.00 0.00 39.78 38.37 3hgn n ASN 132 CO 0.00 0.00 0.00 -3.20 1.40 0.00 0.00 177.26 175.46 3hgn n ASN 133 N 0.50 -4.86 -4.78 1.20 5.15 0.13 -4.94 115.26 107.65 3hgn n ASN 133 Ca 0.09 0.04 -0.36 0.00 -0.60 0.00 0.00 54.58 53.75 3hgn n ASN 133 Cb 0.39 -3.95 -0.02 0.00 -0.53 0.00 0.00 39.78 35.67 3hgn n ASN 133 CO 0.00 0.00 0.00 -0.44 1.40 0.00 0.00 177.26 178.22 3hgn s SER 134 N -2.34 6.31 -0.28 1.20 0.01 -1.08 -4.63 113.70 112.89 3hgn s SER 134 Ca 0.00 2.13 -0.27 0.00 1.31 0.00 0.00 55.95 59.12 3hgn s SER 134 Cb 0.00 -2.58 0.01 0.00 0.21 0.00 0.00 66.02 63.65 3hgn s SER 134 CO 0.00 -0.81 0.95 -2.16 0.41 0.00 0.00 173.24 171.63 3hgn s PRO 135 N -2.85 4.11 0.06 12.44 0.04 -1.26 -1.80 135.00 145.73 3hgn s PRO 135 Ca 0.64 0.99 0.00 0.00 0.04 0.00 0.00 61.00 62.68 3hgn s PRO 135 Cb -0.23 -3.70 -0.04 0.00 0.04 0.00 0.00 34.50 30.58 3hgn s PRO 135 CO 0.28 -0.72 -0.05 0.00 0.04 0.00 0.00 177.00 176.56 3hgn s TYR 137 N -3.15 1.93 0.14 0.00 2.02 0.41 -0.89 117.35 117.80 3hgn s TYR 137 Ca 0.03 -0.55 -0.16 0.00 -0.37 0.00 0.00 57.07 56.02 3hgn s TYR 137 Cb 0.02 -1.28 -0.07 0.00 -0.40 0.00 0.00 41.96 40.23 3hgn s TYR 137 CO -0.06 -0.17 0.58 -1.50 -1.57 0.00 0.00 175.55 172.82 3hgn s ILE 138 N -0.05 4.79 0.08 2.71 2.07 -0.50 -0.99 121.20 129.31 3hgn s ILE 138 Ca -0.03 0.98 0.06 0.00 -1.41 0.00 0.00 60.65 60.25 3hgn s ILE 138 Cb -0.12 -3.79 -0.03 0.00 0.13 0.00 0.00 42.46 38.65 3hgn s ILE 138 CO 0.02 0.32 -0.15 0.42 -1.91 0.00 0.00 174.94 173.64 3hgn s THR 139 N -1.38 1.23 0.00 4.00 -4.23 -1.23 -1.36 115.64 112.66 3hgn s THR 139 Ca 0.36 -1.40 0.00 0.00 -1.18 0.00 0.00 61.69 59.47 3hgn s THR 139 Cb -0.16 -1.21 0.00 0.00 1.34 0.00 0.00 72.50 72.47 3hgn s THR 139 CO 0.19 -0.23 0.00 0.61 -0.54 0.00 0.00 174.62 174.65 3hgn n GLY 140 N 1.15 -0.02 0.94 3.99 0.00 -0.66 -4.57 105.19 106.02 3hgn n GLY 140 Ca -0.20 -1.12 0.08 0.00 0.00 0.00 0.00 46.02 44.78 3hgn n GLY 140 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 3hgn n TRP 141 N -0.62 0.74 -0.72 1.61 8.01 -1.26 -1.64 117.44 123.56 3hgn n TRP 141 Ca 0.00 -0.54 -0.30 0.00 -1.31 0.00 0.00 57.50 55.35 3hgn n TRP 141 Cb 0.00 -0.06 0.26 0.00 -2.01 0.00 0.00 31.31 29.50 3hgn n TRP 141 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.69 176.88 3hgn s GLY 142 N -1.06 1.50 0.35 6.99 0.00 -1.25 -1.72 107.32 112.13 3hgn s GLY 142 Ca 0.34 -0.81 -0.26 0.00 0.00 0.00 0.00 44.72 43.99 3hgn s GLY 142 CO 0.21 0.11 0.92 1.04 0.00 0.00 0.00 173.10 175.38 3hgn n LEU 143 N -5.16 1.67 -0.37 0.66 4.32 0.11 -2.43 117.00 115.79 3hgn n LEU 143 Ca 0.12 1.09 0.12 0.00 -0.02 0.00 0.00 56.01 57.32 3hgn n LEU 143 Cb 0.59 -1.27 0.22 0.00 -1.62 0.00 0.00 43.42 41.34 3hgn n LEU 143 CO 0.45 -1.72 0.51 0.35 -1.22 0.00 0.00 177.39 175.77 3hgn n THR 144 N -0.20 0.00 -3.74 -5.08 -2.24 -0.89 -1.37 114.28 100.77 3hgn n THR 144 Ca 0.10 -0.19 -0.13 0.00 -2.27 0.00 0.00 64.05 61.56 3hgn n THR 144 Cb 0.35 0.79 -0.08 0.00 -2.10 0.00 0.00 70.33 69.29 3hgn n THR 144 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 3hgn s ARG 145 N -2.47 0.77 0.12 -0.78 0.52 -1.26 -4.16 118.95 111.69 3hgn s ARG 145 Ca 0.22 -0.31 -0.34 0.00 -0.52 0.00 0.00 55.73 54.78 3hgn s ARG 145 Cb 0.19 0.34 -0.14 0.00 0.52 0.00 0.00 34.95 35.86 3hgn s ARG 145 CO 0.53 -0.23 1.58 2.41 0.02 0.00 0.00 175.30 179.61 3hgn n THR 147 N 0.91 0.07 -2.42 0.02 -1.04 -1.26 -0.86 114.28 109.69 3hgn n THR 147 Ca -0.20 -0.01 -0.21 0.00 -2.04 0.00 0.00 64.05 61.59 3hgn n THR 147 Cb 0.58 -1.47 -0.01 0.00 -1.82 0.00 0.00 70.33 67.60 3hgn n THR 147 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 3hgn n ASN 148 N 3.68 -5.97 -0.03 8.00 3.02 -1.26 -4.97 115.26 117.74 3hgn n ASN 148 Ca 0.18 -0.03 0.00 0.00 -0.03 0.00 0.00 54.58 54.70 3hgn n ASN 148 Cb 0.27 -4.96 0.00 0.00 -0.61 0.00 0.00 39.78 34.48 3hgn n ASN 148 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3hgn n GLY 149 N -1.04 1.89 3.27 7.41 0.00 -0.04 -5.14 105.19 111.54 3hgn n GLY 149 Ca -0.25 -1.80 -0.15 0.00 0.00 0.00 0.00 46.02 43.82 3hgn n GLY 149 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3hgn s GLN 150 N 4.50 1.12 0.61 1.61 -2.07 -1.26 -4.93 119.66 119.25 3hgn s GLN 150 Ca 0.00 -1.49 -0.19 0.00 -1.82 0.00 0.00 55.36 51.87 3hgn s GLN 150 Cb 0.00 -0.72 -0.03 0.00 -1.09 0.00 0.00 33.01 31.17 3hgn s GLN 150 CO 0.00 0.09 1.12 1.28 -1.32 0.00 0.00 175.29 176.46 3hgn n LEU 151 N -0.24 4.74 -4.78 2.60 4.77 -1.26 -2.08 117.00 120.74 3hgn n LEU 151 Ca -0.10 0.83 -0.37 0.00 -0.03 0.00 0.00 56.01 56.35 3hgn n LEU 151 Cb 0.61 -1.47 -0.03 0.00 -2.33 0.00 0.00 43.42 40.20 3hgn n LEU 151 CO 0.33 -1.42 0.78 0.00 -1.33 0.00 0.00 177.39 175.74 3hgn s ALA 152 N -1.44 3.02 0.03 -1.18 0.00 -0.70 -4.83 121.76 116.65 3hgn s ALA 152 Ca 0.78 0.80 -0.16 0.00 0.00 0.00 0.00 51.96 53.39 3hgn s ALA 152 Cb -0.40 -3.32 -0.35 0.00 0.00 0.00 0.00 23.12 19.04 3hgn s ALA 152 CO 0.45 -0.43 1.01 1.96 0.00 0.00 0.00 175.76 178.74 3hgn h GLN 153 N 2.22 0.55 -6.41 0.00 4.20 -1.94 -3.45 115.11 110.28 3hgn h GLN 153 Ca -0.49 -0.92 -0.65 0.00 0.06 0.00 0.00 58.65 56.65 3hgn h GLN 153 Cb 1.23 0.34 -0.13 0.00 0.30 0.00 0.00 27.48 29.22 3hgn h GLN 153 CO 0.61 1.44 -0.68 0.95 -0.67 0.00 0.00 178.83 180.48 3hgn s THR 154 N -2.64 3.83 0.23 -0.54 -4.23 -1.26 -0.84 115.64 110.19 3hgn s THR 154 Ca -0.09 -1.08 -0.31 0.00 -1.18 0.00 0.00 61.69 59.02 3hgn s THR 154 Cb 0.04 -2.82 -0.11 0.00 1.34 0.00 0.00 72.50 70.95 3hgn s THR 154 CO 0.95 0.11 1.63 -0.22 -0.54 0.00 0.00 174.62 176.54 3hgn s LEU 155 N -2.31 4.36 0.20 4.79 2.96 -0.77 -4.83 118.68 123.09 3hgn s LEU 155 Ca 0.25 2.83 0.08 0.00 -0.22 0.00 0.00 54.13 57.07 3hgn s LEU 155 Cb -0.11 -3.61 -0.04 0.00 0.50 0.00 0.00 46.19 42.92 3hgn s LEU 155 CO 0.17 -0.90 0.01 -1.10 -1.32 0.00 0.00 176.35 173.21 3hgn s GLN 156 N 0.47 2.42 0.08 1.98 -1.52 -0.65 -1.09 119.66 121.36 3hgn s GLN 156 Ca 0.69 -1.17 0.05 0.00 -1.95 0.00 0.00 55.36 52.98 3hgn s GLN 156 Cb -0.47 -2.33 -0.03 0.00 -0.22 0.00 0.00 33.01 29.96 3hgn s GLN 156 CO 0.38 0.43 -0.14 1.14 -0.25 0.00 0.00 175.29 176.86 3hgn s GLN 157 N -3.17 0.86 -0.06 2.91 -2.07 0.03 -1.66 119.66 116.50 3hgn s GLN 157 Ca 0.29 -1.03 -0.07 0.00 -1.82 0.00 0.00 55.36 52.73 3hgn s GLN 157 Cb -0.09 -0.80 0.02 0.00 -1.09 0.00 0.00 33.01 31.05 3hgn s GLN 157 CO 0.19 0.17 0.20 0.00 -1.32 0.00 0.00 175.29 174.53 3hgn s ALA 158 N -1.56 -0.49 -0.16 2.60 0.00 -0.47 -0.84 121.76 120.85 3hgn s ALA 158 Ca 0.01 0.47 -0.29 0.00 0.00 0.00 0.00 51.96 52.15 3hgn s ALA 158 Cb -0.08 -0.26 -0.01 0.00 0.00 0.00 0.00 23.12 22.76 3hgn s ALA 158 CO 0.02 -0.11 1.18 -0.47 0.00 0.00 0.00 175.76 176.38 3hgn s TYR 159 N -0.12 3.06 -0.37 0.00 5.04 -1.26 -1.42 117.35 122.27 3hgn s TYR 159 Ca -0.02 1.19 0.01 0.00 -2.44 0.00 0.00 57.07 55.80 3hgn s TYR 159 Cb -0.02 -3.41 0.14 0.00 0.35 0.00 0.00 41.96 39.01 3hgn s TYR 159 CO 0.01 -1.25 0.22 -0.51 -1.34 0.00 0.00 175.55 172.67 3hgn s LEU 160 N 3.17 1.42 0.56 6.97 1.02 -0.07 -4.95 118.68 126.79 3hgn s LEU 160 Ca 0.52 -2.31 -0.18 0.00 0.02 0.00 0.00 54.13 52.17 3hgn s LEU 160 Cb -0.20 -0.56 -0.05 0.00 0.02 0.00 0.00 46.19 45.40 3hgn s LEU 160 CO 0.13 -0.30 1.09 -2.16 0.02 0.00 0.00 176.35 175.14 3hgn s PRO 161 N 0.87 3.37 0.68 1.29 0.04 -1.26 -3.93 135.00 136.06 3hgn s PRO 161 Ca 0.18 1.43 -0.15 0.00 0.04 0.00 0.00 61.00 62.50 3hgn s PRO 161 Cb -0.23 -2.02 0.01 0.00 0.04 0.00 0.00 34.50 32.30 3hgn s PRO 161 CO 0.00 -0.80 1.14 0.95 0.04 0.00 0.00 177.00 178.33 3hgn s THR 162 N -2.05 2.93 -0.19 1.26 -4.23 -0.75 -1.10 115.64 111.51 3hgn s THR 162 Ca 0.69 0.44 0.01 0.00 -1.18 0.00 0.00 61.69 61.65 3hgn s THR 162 Cb -0.20 -2.97 0.03 0.00 1.34 0.00 0.00 72.50 70.71 3hgn s THR 162 CO 0.29 -0.26 -0.14 -0.69 -0.54 0.00 0.00 174.62 173.28 3hgn s VAL 163 N -2.22 1.80 0.95 2.29 1.01 -0.43 -0.69 120.40 123.11 3hgn s VAL 163 Ca 0.69 -0.98 -0.12 0.00 0.00 0.00 0.00 61.98 61.58 3hgn s VAL 163 Cb -0.23 -1.77 0.16 0.00 0.00 0.00 0.00 36.38 34.54 3hgn s VAL 163 CO 0.43 0.32 1.09 1.51 0.00 0.00 0.00 175.10 178.44 3hgn s ASP 164 N 1.35 2.96 0.25 3.32 1.47 -1.26 -4.09 116.67 120.67 3hgn s ASP 164 Ca 0.01 1.48 -0.05 0.00 1.18 0.00 0.00 52.55 55.17 3hgn s ASP 164 Cb -0.15 -2.15 0.33 0.00 -0.34 0.00 0.00 42.92 40.61 3hgn s ASP 164 CO -0.10 -2.96 1.89 0.22 0.68 0.00 0.00 175.17 174.91 3hgn h TYR 165 N -1.77 1.17 -0.56 2.11 3.20 -1.93 0.14 116.97 119.34 3hgn h TYR 165 Ca -0.51 0.03 -0.07 0.00 3.14 0.00 0.00 58.73 61.32 3hgn h TYR 165 Cb 1.30 -0.39 -0.02 0.00 1.54 0.00 0.00 36.73 39.15 3hgn h TYR 165 CO 0.38 0.66 0.07 0.00 -1.64 0.00 0.00 178.16 177.64 3hgn h ALA 166 N 1.40 1.08 0.16 1.82 0.00 -1.98 -0.87 119.26 120.87 3hgn h ALA 166 Ca 0.39 -0.25 -0.27 0.00 0.00 0.00 0.00 54.91 54.78 3hgn h ALA 166 Cb 0.03 -0.22 0.03 0.00 0.00 0.00 0.00 17.79 17.63 3hgn h ALA 166 CO -0.13 0.59 -1.17 0.82 0.00 0.00 0.00 179.25 179.36 3hgn h ILE 167 N 0.85 1.35 -0.24 0.00 2.04 -1.79 -3.33 117.51 116.39 3hgn h ILE 167 Ca 0.17 -2.51 -0.05 0.00 1.00 0.00 0.00 64.86 63.47 3hgn h ILE 167 Cb 0.40 2.91 -0.01 0.00 -0.74 0.00 0.00 36.82 39.37 3hgn h ILE 167 CO 0.01 0.75 -0.08 0.00 0.00 0.00 0.00 178.15 178.82 3hgn n SER 169 N -4.27 8.07 0.00 0.00 3.41 -0.35 -0.63 113.62 119.85 3hgn n SER 169 Ca 0.00 -3.03 0.00 0.00 -0.26 0.00 0.00 58.87 55.58 3hgn n SER 169 Cb 0.27 -1.39 0.00 0.00 -0.26 0.00 0.00 64.21 62.83 3hgn n SER 169 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 3hgn n SER 170 N 2.03 0.00 0.00 4.04 2.88 -1.26 -3.66 113.62 117.65 3hgn n SER 170 Ca 0.65 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 58.19 3hgn n SER 170 Cb 0.27 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.73 3hgn n SER 170 CO 0.00 0.00 0.00 -1.22 -1.23 0.00 0.00 175.04 172.59 3hgn n TYR 171 N 0.00 0.00 0.90 0.66 4.02 -1.26 -4.86 117.16 116.62 3hgn n TYR 171 Ca 0.00 0.00 0.10 0.00 -0.01 0.00 0.00 57.90 57.99 3hgn n TYR 171 Cb 0.00 0.00 -0.05 0.00 -0.02 0.00 0.00 39.34 39.27 3hgn n TYR 171 CO 0.00 0.00 0.00 0.91 -1.01 0.00 0.00 176.86 176.76 3hgn n TRP 172 N 0.00 0.00 -4.37 -0.72 7.02 0.19 -4.85 117.44 114.71 3hgn n TRP 172 Ca 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.48 3hgn n TRP 172 Cb 0.00 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 28.89 3hgn n TRP 172 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 3hgn n GLY 173 N 1.38 2.20 0.33 6.99 0.00 -1.21 -2.13 105.19 112.75 3hgn n GLY 173 Ca 0.06 -0.43 0.06 0.00 0.00 0.00 0.00 46.02 45.71 3hgn n GLY 173 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3hgn n SER 174 N -0.63 0.98 -0.27 1.61 3.41 -1.26 -3.19 113.62 114.27 3hgn n SER 174 Ca 0.00 -1.82 -0.05 0.00 -0.26 0.00 0.00 58.87 56.75 3hgn n SER 174 Cb 0.00 -0.10 0.06 0.00 -0.26 0.00 0.00 64.21 63.91 3hgn n SER 174 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 3hgn h THR 175 N 1.16 1.20 -3.44 6.66 2.02 -1.81 -3.43 112.91 115.28 3hgn h THR 175 Ca 0.00 -0.41 -0.54 0.00 0.77 0.00 0.00 66.41 66.22 3hgn h THR 175 Cb 0.26 0.14 -0.04 0.00 -1.74 0.00 0.00 68.15 66.77 3hgn h THR 175 CO 0.00 0.20 0.15 -0.69 0.37 0.00 0.00 175.52 175.56 3hgn s VAL 176 N -6.05 4.65 0.34 3.16 1.01 -1.19 -4.87 120.40 117.45 3hgn s VAL 176 Ca -0.13 1.62 0.08 0.00 0.00 0.00 0.00 61.98 63.54 3hgn s VAL 176 Cb 0.15 -4.11 -0.03 0.00 0.00 0.00 0.00 36.38 32.39 3hgn s VAL 176 CO 0.78 0.41 0.25 -0.54 0.00 0.00 0.00 175.10 176.01 3hgn s LYS 177 N -0.37 2.62 0.18 2.72 1.02 -1.26 -4.90 119.74 119.75 3hgn s LYS 177 Ca 0.37 -1.37 0.22 0.00 0.02 0.00 0.00 55.97 55.22 3hgn s LYS 177 Cb -0.21 -2.39 0.89 0.00 -0.52 0.00 0.00 37.83 35.61 3hgn s LYS 177 CO 0.23 0.10 1.69 -1.71 -0.92 0.00 0.00 175.35 174.74 3hgn n ASN 178 N -1.31 0.51 -0.48 2.83 5.15 -1.26 -1.61 115.26 119.09 3hgn n ASN 178 Ca -0.02 0.61 0.02 0.00 -0.60 0.00 0.00 54.58 54.59 3hgn n ASN 178 Cb 0.60 -0.72 0.08 0.00 -0.53 0.00 0.00 39.78 39.21 3hgn n ASN 178 CO 0.00 0.00 0.00 -1.54 1.40 0.00 0.00 177.26 177.12 3hgn n SER 179 N -2.04 1.31 -4.40 1.20 3.41 -1.26 -4.85 113.62 106.99 3hgn n SER 179 Ca 0.03 -2.07 -0.24 0.00 -0.26 0.00 0.00 58.87 56.33 3hgn n SER 179 Cb 0.26 -0.25 -0.11 0.00 -0.26 0.00 0.00 64.21 63.85 3hgn n SER 179 CO 0.00 0.00 0.00 -0.04 -0.16 0.00 0.00 175.04 174.84 3hgn s MET 180 N -1.66 1.47 -0.08 4.33 -1.94 -0.63 -1.04 119.30 119.75 3hgn s MET 180 Ca 0.12 -1.56 0.02 0.00 -1.71 0.00 0.00 55.69 52.56 3hgn s MET 180 Cb 0.07 -1.63 -0.02 0.00 2.01 0.00 0.00 34.83 35.26 3hgn s MET 180 CO 0.07 0.33 -0.12 0.08 -0.01 0.00 0.00 175.02 175.37 3hgn s VAL 181 N -2.07 3.18 -0.13 -6.03 1.01 0.04 -4.70 120.40 111.72 3hgn s VAL 181 Ca 0.22 -0.65 -0.06 0.00 0.00 0.00 0.00 61.98 61.48 3hgn s VAL 181 Cb -0.06 -2.29 -0.04 0.00 0.00 0.00 0.00 36.38 33.99 3hgn s VAL 181 CO 0.10 0.57 0.09 0.00 0.00 0.00 0.00 175.10 175.85 3hgn s ALA 183 N -0.68 -0.47 0.00 0.00 0.00 -0.73 -1.32 121.76 118.58 3hgn s ALA 183 Ca 0.12 0.52 0.00 0.00 0.00 0.00 0.00 51.96 52.61 3hgn s ALA 183 Cb -0.12 -0.30 0.00 0.00 0.00 0.00 0.00 23.12 22.70 3hgn s ALA 183 CO 0.02 -0.09 0.00 0.41 0.00 0.00 0.00 175.76 176.10 3hgn n GLY 184 N 2.95 0.85 1.20 0.00 0.00 -0.26 -1.40 105.19 108.54 3hgn n GLY 184 Ca -0.13 -1.29 0.00 0.00 0.00 0.00 0.00 46.02 44.61 3hgn n GLY 184 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hgn n GLY 185 N 0.00 0.65 0.16 -0.02 0.00 -1.26 -4.59 105.19 100.13 3hgn n GLY 185 Ca 0.00 -0.42 0.14 0.00 0.00 0.00 0.00 46.02 45.74 3hgn n GLY 185 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3hgn n ASP 186 N 0.76 0.57 0.00 1.61 5.68 -1.26 -1.09 116.55 122.82 3hgn n ASP 186 Ca 0.00 -0.79 0.00 0.00 -0.50 0.00 0.00 54.79 53.50 3hgn n ASP 186 Cb 0.00 -0.04 0.00 0.00 -1.14 0.00 0.00 41.12 39.94 3hgn n ASP 186 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3hgn n GLY 187 N 1.22 1.48 0.49 6.12 0.00 -1.26 -4.76 105.19 108.48 3hgn n GLY 187 Ca 0.17 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.14 3hgn n GLY 187 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3hgn n VAL 188 N -2.00 0.25 -4.89 1.61 0.31 -1.26 -4.53 118.33 107.81 3hgn n VAL 188 Ca 0.00 -0.08 -0.32 0.00 -0.01 0.00 0.00 64.34 63.94 3hgn n VAL 188 Cb 0.00 -1.16 -0.13 0.00 -0.91 0.00 0.00 33.84 31.64 3hgn n VAL 188 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 3hgn s ARG 188 N -2.08 2.28 0.03 5.55 0.52 -1.26 -3.83 118.95 120.15 3hgn s ARG 188 Ca -0.06 -0.84 -0.28 0.00 -0.52 0.00 0.00 55.73 54.03 3hgn s ARG 188 Cb 0.02 -2.25 0.09 0.00 0.52 0.00 0.00 34.95 33.34 3hgn s ARG 188 CO 0.09 0.58 1.00 -1.54 0.02 0.00 0.00 175.30 175.46 3hgn s SER 189 N -0.95 -0.23 0.90 0.23 1.04 -0.97 -4.39 113.70 109.33 3hgn s SER 189 Ca 0.12 -0.16 -0.11 0.00 0.48 0.00 0.00 55.95 56.27 3hgn s SER 189 Cb -0.10 0.36 0.13 0.00 0.10 0.00 0.00 66.02 66.51 3hgn s SER 189 CO 0.02 -0.64 1.09 -0.83 0.98 0.00 0.00 173.24 173.86 3hgn s GLY 190 N -2.68 1.62 0.35 7.32 0.00 -1.26 -1.07 107.32 111.59 3hgn s GLY 190 Ca 0.09 -0.05 -0.17 0.00 0.00 0.00 0.00 44.72 44.59 3hgn s GLY 190 CO -0.04 0.44 0.76 0.00 0.00 0.00 0.00 173.10 174.26 3hgn n GLN 192 N -0.51 2.62 0.00 0.00 3.00 -1.26 -1.24 117.38 119.99 3hgn n GLN 192 Ca -0.07 0.95 0.00 0.00 -0.01 0.00 0.00 57.00 57.87 3hgn n GLN 192 Cb 0.60 -2.78 0.00 0.00 0.00 0.00 0.00 30.24 28.05 3hgn n GLN 192 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3hgn n GLY 193 N 3.88 1.17 0.17 1.08 0.00 -1.26 -0.71 105.19 109.52 3hgn n GLY 193 Ca 0.17 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.30 3hgn n GLY 193 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3hgn h ASP 194 N 0.00 0.00 -1.46 1.61 3.45 -1.46 -3.29 116.42 115.27 3hgn h ASP 194 Ca 0.00 0.00 -0.65 0.00 0.43 0.00 0.00 57.03 56.81 3hgn h ASP 194 Cb 0.00 0.00 0.11 0.00 -0.56 0.00 0.00 39.33 38.88 3hgn h ASP 194 CO 0.00 0.00 -0.35 -1.20 -1.57 0.00 0.00 179.24 176.12 3hgn n SER 195 N -2.90 -0.54 0.00 6.45 7.64 -1.26 -1.74 113.62 121.26 3hgn n SER 195 Ca 0.02 1.13 0.00 0.00 1.01 0.00 0.00 58.87 61.04 3hgn n SER 195 Cb 0.54 -1.05 0.00 0.00 -1.01 0.00 0.00 64.21 62.69 3hgn n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3hgn n GLY 196 N 1.78 3.05 3.87 0.23 0.00 0.04 -0.53 105.19 113.63 3hgn n GLY 196 Ca 0.15 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.88 3hgn n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3hgn s GLY 197 N -1.57 1.73 0.40 -0.02 0.00 -0.71 -3.31 107.32 103.84 3hgn s GLY 197 Ca 0.00 -1.12 -0.18 0.00 0.00 0.00 0.00 44.72 43.42 3hgn s GLY 197 CO 0.00 -0.35 0.87 2.56 0.00 0.00 0.00 173.10 176.19 3hgn s PRO 198 N -5.78 4.11 -0.30 2.90 0.04 -1.26 -1.13 135.00 133.57 3hgn s PRO 198 Ca 0.73 0.93 -0.07 0.00 0.04 0.00 0.00 61.00 62.62 3hgn s PRO 198 Cb -0.05 -2.27 0.01 0.00 0.04 0.00 0.00 34.50 32.23 3hgn s PRO 198 CO 0.53 0.01 0.09 -1.17 0.04 0.00 0.00 177.00 176.51 3hgn s LEU 199 N -3.23 3.95 -0.26 -3.56 2.96 -0.64 -3.49 118.68 114.40 3hgn s LEU 199 Ca 0.59 -0.73 -0.12 0.00 -0.22 0.00 0.00 54.13 53.65 3hgn s LEU 199 Cb -0.10 -1.90 -0.05 0.00 0.50 0.00 0.00 46.19 44.65 3hgn s LEU 199 CO 0.17 -0.21 0.23 -1.00 -1.32 0.00 0.00 176.35 174.22 3hgn s HIS 200 N 1.51 3.25 -0.02 5.38 3.76 -0.16 -1.21 115.29 127.79 3hgn s HIS 200 Ca 0.02 0.22 0.07 0.00 -0.15 0.00 0.00 55.06 55.23 3hgn s HIS 200 Cb -0.17 -2.40 -0.02 0.00 1.11 0.00 0.00 32.58 31.10 3hgn s HIS 200 CO 0.03 -0.11 -0.23 0.00 -0.85 0.00 0.00 174.74 173.58 3hgn s LEU 202 N -0.52 4.16 -0.07 0.00 1.98 -0.63 -1.56 118.68 122.03 3hgn s LEU 202 Ca 0.08 0.13 -0.00 0.00 -2.89 0.00 0.00 54.13 51.45 3hgn s LEU 202 Cb -0.09 -3.03 0.03 0.00 0.66 0.00 0.00 46.19 43.76 3hgn s LEU 202 CO -0.01 -0.86 -0.03 -0.69 -1.89 0.00 0.00 176.35 172.87 3hgn s VAL 203 N 3.29 0.56 -1.47 1.68 1.01 -0.36 -4.69 120.40 120.41 3hgn s VAL 203 Ca 0.32 -0.03 -0.09 0.00 0.00 0.00 0.00 61.98 62.17 3hgn s VAL 203 Cb -0.12 -0.65 0.06 0.00 0.00 0.00 0.00 36.38 35.67 3hgn s VAL 203 CO 0.21 0.27 0.83 0.59 0.00 0.00 0.00 175.10 177.01 3hgn n ASN 204 N 4.78 -3.23 0.00 3.32 3.02 -1.26 -2.07 115.26 119.83 3hgn n ASN 204 Ca -0.13 -0.83 0.00 0.00 -0.03 0.00 0.00 54.58 53.59 3hgn n ASN 204 Cb 0.50 -3.76 0.00 0.00 -0.61 0.00 0.00 39.78 35.91 3hgn n ASN 204 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3hgn n GLY 205 N -1.67 1.36 3.16 7.41 0.00 -1.26 -5.02 105.19 109.18 3hgn n GLY 205 Ca -0.09 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.67 3hgn n GLY 205 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3hgn s GLN 206 N -0.19 1.77 0.02 1.61 0.74 -0.88 -5.11 119.66 117.62 3hgn s GLN 206 Ca 0.00 -0.65 -0.30 0.00 0.05 0.00 0.00 55.36 54.45 3hgn s GLN 206 Cb 0.00 -1.58 -0.04 0.00 1.10 0.00 0.00 33.01 32.49 3hgn s GLN 206 CO 0.00 0.31 1.04 0.71 -0.55 0.00 0.00 175.29 176.79 3hgn s TYR 207 N -0.13 3.61 0.12 1.67 2.02 -1.26 -1.23 117.35 122.15 3hgn s TYR 207 Ca -0.00 1.60 0.06 0.00 -0.37 0.00 0.00 57.07 58.36 3hgn s TYR 207 Cb -0.10 -3.19 -0.04 0.00 -0.40 0.00 0.00 41.96 38.22 3hgn s TYR 207 CO 0.01 -0.33 -0.14 0.00 -1.57 0.00 0.00 175.55 173.52 3hgn s ALA 208 N 0.96 1.47 -0.57 3.71 0.00 -0.60 -4.63 121.76 122.10 3hgn s ALA 208 Ca 0.53 -1.26 -0.22 0.00 0.00 0.00 0.00 51.96 51.01 3hgn s ALA 208 Cb -0.23 -0.09 0.05 0.00 0.00 0.00 0.00 23.12 22.85 3hgn s ALA 208 CO 0.28 0.12 0.87 0.08 0.00 0.00 0.00 175.76 177.11 3hgn s VAL 209 N -2.00 4.50 -0.36 0.00 1.01 0.07 -0.95 120.40 122.67 3hgn s VAL 209 Ca 0.07 -0.07 0.22 0.00 0.00 0.00 0.00 61.98 62.20 3hgn s VAL 209 Cb -0.06 -4.52 -0.21 0.00 0.00 0.00 0.00 36.38 31.60 3hgn s VAL 209 CO 0.03 -1.12 0.78 1.41 0.00 0.00 0.00 175.10 176.20 3hgn n HIS 210 N 7.19 0.22 -4.02 5.22 8.25 -0.35 -4.28 115.22 127.46 3hgn n HIS 210 Ca -0.02 0.06 -0.10 0.00 -0.26 0.00 0.00 57.72 57.41 3hgn n HIS 210 Cb 0.46 -0.48 -0.11 0.00 1.12 0.00 0.00 29.99 30.98 3hgn n HIS 210 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 3hgn s GLY 211 N -4.04 0.35 -0.23 -1.41 0.00 -1.18 -1.83 107.32 98.98 3hgn s GLY 211 Ca -0.01 -0.73 -0.02 0.00 0.00 0.00 0.00 44.72 43.96 3hgn s GLY 211 CO 0.85 -0.80 -0.08 0.14 0.00 0.00 0.00 173.10 173.21 3hgn s VAL 212 N -1.80 2.87 0.18 1.40 1.01 -0.70 -1.61 120.40 121.74 3hgn s VAL 212 Ca -0.11 -0.85 -0.32 0.00 0.00 0.00 0.00 61.98 60.70 3hgn s VAL 212 Cb -0.07 -2.37 -0.11 0.00 0.00 0.00 0.00 36.38 33.83 3hgn s VAL 212 CO -0.02 0.33 1.68 -0.89 0.00 0.00 0.00 175.10 176.20 3hgn s THR 213 N 1.36 2.30 0.03 3.92 2.01 -0.29 -0.86 115.64 124.12 3hgn s THR 213 Ca 0.03 0.18 -0.00 0.00 0.31 0.00 0.00 61.69 62.20 3hgn s THR 213 Cb -0.15 -3.11 -0.00 0.00 0.01 0.00 0.00 72.50 69.24 3hgn s THR 213 CO -0.06 0.01 -0.01 -0.24 -0.69 0.00 0.00 174.62 173.64 3hgn n SER 214 N 4.18 0.46 -3.81 3.53 2.88 -0.28 -0.78 113.62 119.81 3hgn n SER 214 Ca 0.15 0.06 -0.09 0.00 -1.33 0.00 0.00 58.87 57.66 3hgn n SER 214 Cb 0.37 -0.16 -0.05 0.00 -0.75 0.00 0.00 64.21 63.62 3hgn n SER 214 CO 0.00 0.00 0.00 0.72 -1.23 0.00 0.00 175.04 174.53 3hgn s PHE 215 N -1.42 0.03 0.36 0.66 -0.71 -0.88 -4.92 117.98 111.11 3hgn s PHE 215 Ca -0.01 -0.38 0.03 0.00 -1.04 0.00 0.00 56.93 55.54 3hgn s PHE 215 Cb 0.00 0.28 -0.04 0.00 -1.21 0.00 0.00 43.02 42.06 3hgn s PHE 215 CO 0.01 -0.88 0.11 0.14 -1.34 0.00 0.00 175.22 173.26 3hgn s VAL 216 N -3.90 0.73 0.80 -2.49 -7.23 -1.26 -1.74 120.40 105.30 3hgn s VAL 216 Ca 0.12 -2.00 -0.11 0.00 -1.81 0.00 0.00 61.98 58.18 3hgn s VAL 216 Cb -0.00 -2.51 0.07 0.00 0.56 0.00 0.00 36.38 34.51 3hgn s VAL 216 CO -0.01 0.00 1.12 -0.55 -0.31 0.00 0.00 175.10 175.34 3hgn s SER 217 N -3.53 4.11 0.09 4.85 0.15 -1.24 -4.93 113.70 113.20 3hgn s SER 217 Ca 0.29 1.98 0.19 0.00 0.70 0.00 0.00 55.95 59.12 3hgn s SER 217 Cb 0.05 -2.54 0.79 0.00 -1.71 0.00 0.00 66.02 62.61 3hgn s SER 217 CO 0.15 -2.30 1.59 0.54 1.20 0.00 0.00 173.24 174.42 3hgn n ARG 217 N -3.54 0.08 0.01 5.44 1.74 -1.26 -2.82 116.66 116.30 3hgn n ARG 217 Ca 0.10 0.29 0.11 0.00 -0.77 0.00 0.00 57.85 57.58 3hgn n ARG 217 Cb 0.52 -1.64 0.10 0.00 -1.02 0.00 0.00 32.46 30.43 3hgn n ARG 217 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 3hgn n LEU 218 N -1.77 0.66 0.00 0.55 4.77 -1.26 -5.05 117.00 114.90 3hgn n LEU 218 Ca 0.03 -0.13 0.00 0.00 -0.03 0.00 0.00 56.01 55.89 3hgn n LEU 218 Cb 0.21 -0.15 0.00 0.00 -2.33 0.00 0.00 43.42 41.16 3hgn n LEU 218 CO 0.17 0.13 0.00 0.61 -1.33 0.00 0.00 177.39 176.97 3hgn n GLY 219 N 1.46 1.53 0.23 -0.72 0.00 -1.13 -5.00 105.19 101.56 3hgn n GLY 219 Ca 0.04 -1.60 -0.08 0.00 0.00 0.00 0.00 46.02 44.38 3hgn n GLY 219 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hgn s ASN 221 N -4.74 6.19 -0.04 0.00 4.22 -1.26 -4.72 114.94 114.59 3hgn s ASN 221 Ca -0.07 -1.36 0.01 0.00 -2.14 0.00 0.00 52.86 49.30 3hgn s ASN 221 Cb 0.01 -2.28 0.02 0.00 1.28 0.00 0.00 41.25 40.28 3hgn s ASN 221 CO 0.22 -1.01 -0.02 -0.69 -2.04 0.00 0.00 177.10 173.56 3hgn s VAL 221 N 2.48 0.35 0.26 3.54 1.01 -1.26 -4.78 120.40 121.99 3hgn s VAL 221 Ca 0.11 -0.02 -0.30 0.00 0.00 0.00 0.00 61.98 61.77 3hgn s VAL 221 Cb -0.24 -0.41 -0.11 0.00 0.00 0.00 0.00 36.38 35.62 3hgn s VAL 221 CO 0.07 0.18 1.55 -0.89 0.00 0.00 0.00 175.10 176.01 3hgn s THR 222 N 0.96 2.33 -1.40 3.92 2.01 -1.26 -1.82 115.64 120.39 3hgn s THR 222 Ca -0.11 0.27 0.00 0.00 0.31 0.00 0.00 61.69 62.17 3hgn s THR 222 Cb -0.14 -3.17 0.00 0.00 0.01 0.00 0.00 72.50 69.20 3hgn s THR 222 CO -0.01 0.04 0.00 0.54 -0.69 0.00 0.00 174.62 174.50 3hgn n ARG 223 N 2.56 -1.07 -3.53 4.92 1.74 -0.25 -4.92 116.66 116.10 3hgn n ARG 223 Ca 0.09 0.95 -0.27 0.00 -0.77 0.00 0.00 57.85 57.85 3hgn n ARG 223 Cb 0.38 -5.07 -0.09 0.00 -1.02 0.00 0.00 32.46 26.66 3hgn n ARG 223 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 3hgn n LYS 224 N -2.30 1.58 -1.29 5.56 4.76 -0.75 -4.34 118.16 121.38 3hgn n LYS 224 Ca -0.13 -4.10 -0.36 0.00 -2.87 0.00 0.00 58.31 50.85 3hgn n LYS 224 Cb 0.47 -1.98 0.09 0.00 -1.84 0.00 0.00 35.03 31.77 3hgn n LYS 224 CO 0.00 0.00 0.00 -0.35 -1.37 0.00 0.00 177.40 175.68 3hgn n PRO 225 N 1.64 0.40 -1.88 1.97 -0.04 -1.26 -4.50 135.00 131.33 3hgn n PRO 225 Ca 0.25 0.19 -0.39 0.00 -0.04 0.00 0.00 63.50 63.51 3hgn n PRO 225 Cb 0.42 -2.13 0.02 0.00 -0.04 0.00 0.00 33.50 31.77 3hgn n PRO 225 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 3hgn s THR 226 N -1.88 2.26 -0.11 0.52 2.01 -0.49 -4.78 115.64 113.16 3hgn s THR 226 Ca 0.71 0.22 -0.00 0.00 0.31 0.00 0.00 61.69 62.93 3hgn s THR 226 Cb -0.34 -3.13 -0.02 0.00 0.01 0.00 0.00 72.50 69.02 3hgn s THR 226 CO 0.53 0.02 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.69 3hgn s VAL 227 N -1.25 3.34 0.07 3.82 1.01 -0.71 -1.77 120.40 124.91 3hgn s VAL 227 Ca 0.62 -0.58 0.08 0.00 0.00 0.00 0.00 61.98 62.10 3hgn s VAL 227 Cb -0.41 -2.40 -0.03 0.00 0.00 0.00 0.00 36.38 33.55 3hgn s VAL 227 CO 0.52 0.54 -0.21 -0.36 0.00 0.00 0.00 175.10 175.58 3hgn s PHE 228 N -0.01 1.84 0.17 5.22 0.08 -0.06 -1.12 117.98 124.10 3hgn s PHE 228 Ca -0.02 -0.39 -0.31 0.00 0.12 0.00 0.00 56.93 56.33 3hgn s PHE 228 Cb -0.14 -1.06 -0.09 0.00 -0.57 0.00 0.00 43.02 41.16 3hgn s PHE 228 CO 0.04 0.15 1.43 0.99 -0.10 0.00 0.00 175.22 177.72 3hgn s THR 229 N -0.95 2.99 -0.59 0.64 2.01 -0.04 -0.78 115.64 118.92 3hgn s THR 229 Ca 0.07 0.75 -0.28 0.00 0.31 0.00 0.00 61.69 62.55 3hgn s THR 229 Cb -0.09 -3.48 0.03 0.00 0.01 0.00 0.00 72.50 68.96 3hgn s THR 229 CO 0.03 0.08 1.26 -0.60 -0.69 0.00 0.00 174.62 174.70 3hgn s ARG 230 N 0.60 3.42 0.30 4.92 3.52 -0.20 -1.73 118.95 129.77 3hgn s ARG 230 Ca 0.63 0.25 0.03 0.00 -0.13 0.00 0.00 55.73 56.51 3hgn s ARG 230 Cb -0.39 -4.06 0.61 0.00 -1.56 0.00 0.00 34.95 29.54 3hgn s ARG 230 CO 0.34 -1.81 1.85 0.28 -0.81 0.00 0.00 175.30 175.15 3hgn h VAL 231 N 6.20 0.92 0.00 7.11 2.07 -1.67 -1.72 116.25 129.16 3hgn h VAL 231 Ca -0.26 -0.32 0.00 0.00 0.82 0.00 0.00 66.70 66.94 3hgn h VAL 231 Cb 1.07 -0.10 0.00 0.00 -1.52 0.00 0.00 31.29 30.73 3hgn h VAL 231 CO 1.20 0.17 0.00 -1.54 0.02 0.00 0.00 177.57 177.42 3hgn n SER 232 N -4.59 0.00 -0.05 0.57 3.41 -1.26 -0.97 113.62 110.72 3hgn n SER 232 Ca 0.18 0.40 0.13 0.00 -0.26 0.00 0.00 58.87 59.33 3hgn n SER 232 Cb 0.36 -0.45 0.46 0.00 -0.26 0.00 0.00 64.21 64.33 3hgn n SER 232 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3hgn n ALA 233 N -1.45 2.96 -0.64 7.33 0.00 -0.65 -1.61 120.51 126.45 3hgn n ALA 233 Ca 0.04 -0.26 0.04 0.00 0.00 0.00 0.00 53.44 53.26 3hgn n ALA 233 Cb 0.13 -1.28 0.06 0.00 0.00 0.00 0.00 19.45 18.36 3hgn n ALA 233 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3hgn n TYR 234 N -1.30 0.00 -0.19 0.00 4.02 -0.15 -4.80 117.16 114.75 3hgn n TYR 234 Ca 0.09 -0.62 -0.09 0.00 -0.01 0.00 0.00 57.90 57.26 3hgn n TYR 234 Cb 0.32 -0.09 0.01 0.00 -0.02 0.00 0.00 39.34 39.57 3hgn n TYR 234 CO 0.00 0.00 0.00 0.82 -1.01 0.00 0.00 176.86 176.67 3hgn h ILE 235 N 0.72 1.26 -0.67 -0.72 1.08 -1.71 -0.47 117.51 117.00 3hgn h ILE 235 Ca 0.00 -0.98 -0.02 0.00 -0.39 0.00 0.00 64.86 63.46 3hgn h ILE 235 Cb 0.80 0.85 -0.03 0.00 -3.07 0.00 0.00 36.82 35.37 3hgn h ILE 235 CO 0.00 0.35 0.33 0.77 -0.69 0.00 0.00 178.15 178.91 3hgn h SER 236 N 0.78 0.87 -0.33 1.72 4.64 -1.91 -1.33 113.55 117.98 3hgn h SER 236 Ca 0.16 -0.13 0.00 0.00 -0.47 0.00 0.00 61.79 61.35 3hgn h SER 236 Cb 0.43 -0.22 -0.02 0.00 -0.31 0.00 0.00 62.40 62.28 3hgn h SER 236 CO 0.01 0.75 0.21 -0.25 -0.87 0.00 0.00 176.83 176.68 3hgn h TRP 237 N 0.92 0.43 -0.11 4.77 7.01 -1.78 -0.29 115.95 126.91 3hgn h TRP 237 Ca 0.23 0.00 0.04 0.00 2.11 0.00 0.00 58.89 61.28 3hgn h TRP 237 Cb 0.11 -0.14 -0.05 0.00 -2.10 0.00 0.00 29.16 26.97 3hgn h TRP 237 CO 0.00 0.29 -0.21 0.82 -2.79 0.00 0.00 178.44 176.56 3hgn h ILE 238 N 0.44 0.49 -0.32 2.65 2.04 -0.92 -0.73 117.51 121.16 3hgn h ILE 238 Ca 0.12 0.00 -0.08 0.00 1.00 0.00 0.00 64.86 65.90 3hgn h ILE 238 Cb -0.02 0.49 -0.02 0.00 -0.74 0.00 0.00 36.82 36.53 3hgn h ILE 238 CO -0.02 0.00 -0.12 0.78 0.00 0.00 0.00 178.15 178.78 3hgn h ASN 239 N -0.27 0.54 -0.55 1.72 2.35 -1.03 -2.04 115.58 116.30 3hgn h ASN 239 Ca 0.09 -0.14 -0.09 0.00 -0.55 0.00 0.00 56.30 55.61 3hgn h ASN 239 Cb 0.41 -0.14 -0.02 0.00 0.05 0.00 0.00 38.32 38.61 3hgn h ASN 239 CO -0.27 0.69 -0.01 0.78 -1.65 0.00 0.00 177.43 176.98 3hgn h ASN 240 N 0.51 0.95 -0.16 5.81 2.35 -0.61 -1.63 115.58 122.81 3hgn h ASN 240 Ca 0.09 -0.31 -0.03 0.00 -0.55 0.00 0.00 56.30 55.50 3hgn h ASN 240 Cb 0.52 -0.26 -0.00 0.00 0.05 0.00 0.00 38.32 38.62 3hgn h ASN 240 CO 0.03 1.03 -0.03 0.58 -1.65 0.00 0.00 177.43 177.39 3hgn h VAL 241 N 0.85 1.29 -0.64 2.81 2.07 -0.78 -2.46 116.25 119.39 3hgn h VAL 241 Ca 0.15 -0.98 0.03 0.00 0.82 0.00 0.00 66.70 66.72 3hgn h VAL 241 Cb 0.55 1.62 -0.04 0.00 -1.52 0.00 0.00 31.29 31.89 3hgn h VAL 241 CO 0.03 0.29 0.39 0.40 0.02 0.00 0.00 177.57 178.69 3hgn h ILE 242 N 0.00 1.06 0.00 4.57 2.04 -1.33 -2.24 117.51 121.61 3hgn h ILE 242 Ca 0.04 -0.26 -0.04 0.00 1.00 0.00 0.00 64.86 65.60 3hgn h ILE 242 Cb 0.46 0.24 -0.01 0.00 -0.74 0.00 0.00 36.82 36.78 3hgn h ILE 242 CO 0.01 0.14 -0.21 0.00 0.00 0.00 0.00 178.15 178.09 3hgn h ALA 243 N 1.29 1.46 -0.02 1.87 0.00 -1.28 -2.93 119.26 119.65 3hgn h ALA 243 Ca 0.26 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3hgn h ALA 243 Cb 0.05 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.80 3hgn h ALA 243 CO -0.12 0.26 -0.01 0.43 0.00 0.00 0.00 179.25 179.81 3hgn n SER 244 N -4.02 2.44 0.00 0.00 7.64 -0.89 -5.10 113.62 113.69 3hgn n SER 244 Ca -0.02 -1.80 0.00 0.00 1.01 0.00 0.00 58.87 58.06 3hgn n SER 244 Cb 0.29 0.01 0.00 0.00 -1.01 0.00 0.00 64.21 63.50 3hgn n SER 244 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62