#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hpj s SER 2 N 0.00 5.61 0.07 1.61 0.01 -1.26 -3.60 113.70 116.14 3hpj s SER 2 Ca 0.00 1.40 -0.04 0.00 1.31 0.00 0.00 55.95 58.63 3hpj s SER 2 Cb 0.00 -2.31 -0.03 0.00 0.21 0.00 0.00 66.02 63.89 3hpj s SER 2 CO 0.00 -1.26 0.05 -1.00 0.41 0.00 0.00 173.24 171.44 3hpj s HIS 3 N -3.17 0.43 -0.01 2.43 4.02 -0.47 -4.98 115.29 113.54 3hpj s HIS 3 Ca 0.57 -0.92 -0.15 0.00 1.02 0.00 0.00 55.06 55.58 3hpj s HIS 3 Cb -0.12 -0.29 0.02 0.00 -1.02 0.00 0.00 32.58 31.18 3hpj s HIS 3 CO 0.54 -0.45 0.32 -1.54 1.02 0.00 0.00 174.74 174.63 3hpj s SER 4 N -2.91 -0.19 -0.11 1.40 1.04 -1.26 -1.06 113.70 110.60 3hpj s SER 4 Ca 0.08 0.06 0.03 0.00 0.48 0.00 0.00 55.95 56.60 3hpj s SER 4 Cb 0.07 0.32 0.01 0.00 0.10 0.00 0.00 66.02 66.52 3hpj s SER 4 CO -0.09 -0.47 -0.21 -0.32 0.98 0.00 0.00 173.24 173.13 3hpj s MET 5 N -1.49 2.75 0.00 4.02 1.75 -0.80 -0.97 119.30 124.56 3hpj s MET 5 Ca -0.12 -0.77 0.01 0.00 -1.25 0.00 0.00 55.69 53.56 3hpj s MET 5 Cb -0.04 -2.15 -0.00 0.00 2.84 0.00 0.00 34.83 35.47 3hpj s MET 5 CO 0.03 0.08 -0.03 1.03 -0.65 0.00 0.00 175.02 175.49 3hpj s ARG 6 N 0.58 0.22 -0.04 4.11 0.52 -0.25 -1.82 118.95 122.27 3hpj s ARG 6 Ca -0.14 -0.16 0.05 0.00 -0.52 0.00 0.00 55.73 54.95 3hpj s ARG 6 Cb -0.17 -0.18 -0.02 0.00 0.52 0.00 0.00 34.95 35.10 3hpj s ARG 6 CO 0.04 0.05 -0.17 0.71 0.02 0.00 0.00 175.30 175.95 3hpj s TYR 7 N -0.23 2.62 -0.04 -0.53 1.51 0.00 -0.37 117.35 120.30 3hpj s TYR 7 Ca -0.01 -0.22 0.03 0.00 -1.01 0.00 0.00 57.07 55.86 3hpj s TYR 7 Cb -0.02 -1.60 0.00 0.00 -0.11 0.00 0.00 41.96 40.23 3hpj s TYR 7 CO -0.00 0.13 -0.12 -0.06 -1.11 0.00 0.00 175.55 174.39 3hpj s PHE 8 N -0.70 1.32 -0.04 2.71 0.40 0.08 -1.76 117.98 119.99 3hpj s PHE 8 Ca 0.11 -0.38 0.02 0.00 -0.60 0.00 0.00 56.93 56.08 3hpj s PHE 8 Cb -0.10 -0.92 0.01 0.00 0.51 0.00 0.00 43.02 42.52 3hpj s PHE 8 CO 0.00 -0.16 -0.06 -0.06 0.70 0.00 0.00 175.22 175.64 3hpj s PHE 9 N 0.23 0.81 -0.10 0.36 0.40 0.04 -1.59 117.98 118.14 3hpj s PHE 9 Ca -0.05 -0.22 0.02 0.00 -0.60 0.00 0.00 56.93 56.08 3hpj s PHE 9 Cb -0.11 -0.65 0.01 0.00 0.51 0.00 0.00 43.02 42.78 3hpj s PHE 9 CO 0.02 -0.15 -0.15 0.99 0.70 0.00 0.00 175.22 176.63 3hpj s THR 10 N 0.57 1.46 -0.14 0.64 2.01 0.11 -1.48 115.64 118.81 3hpj s THR 10 Ca -0.08 -0.64 0.02 0.00 0.31 0.00 0.00 61.69 61.31 3hpj s THR 10 Cb -0.12 -1.33 0.01 0.00 0.01 0.00 0.00 72.50 71.08 3hpj s THR 10 CO 0.01 0.43 -0.22 -0.55 -0.69 0.00 0.00 174.62 173.60 3hpj s SER 11 N 0.85 3.07 -0.15 3.53 0.15 0.29 -0.54 113.70 120.91 3hpj s SER 11 Ca -0.10 -0.60 -0.00 0.00 0.70 0.00 0.00 55.95 55.96 3hpj s SER 11 Cb -0.15 -1.42 0.03 0.00 -1.71 0.00 0.00 66.02 62.76 3hpj s SER 11 CO 0.01 0.07 -0.08 -0.69 1.20 0.00 0.00 173.24 173.75 3hpj s VAL 12 N 0.84 1.24 0.49 4.45 1.01 -0.03 -1.37 120.40 127.03 3hpj s VAL 12 Ca -0.07 -0.58 -0.21 0.00 0.00 0.00 0.00 61.98 61.13 3hpj s VAL 12 Cb -0.15 -1.30 -0.08 0.00 0.00 0.00 0.00 36.38 34.85 3hpj s VAL 12 CO -0.02 0.26 1.08 -0.94 0.00 0.00 0.00 175.10 175.48 3hpj s SER 13 N 1.60 6.18 -0.41 3.32 1.04 -0.50 -1.12 113.70 123.82 3hpj s SER 13 Ca 0.02 2.05 0.06 0.00 0.48 0.00 0.00 55.95 58.56 3hpj s SER 13 Cb -0.14 -2.57 0.21 0.00 0.10 0.00 0.00 66.02 63.61 3hpj s SER 13 CO -0.08 -0.89 0.45 -2.11 0.98 0.00 0.00 173.24 171.58 3hpj n ARG 14 N -0.93 0.44 -1.60 4.02 1.85 -1.26 -4.13 116.66 115.05 3hpj n ARG 14 Ca 0.09 -3.10 -0.43 0.00 -1.00 0.00 0.00 57.85 53.42 3hpj n ARG 14 Cb 0.51 -1.46 -0.00 0.00 -1.05 0.00 0.00 32.46 30.46 3hpj n ARG 14 CO 0.00 0.00 0.00 -2.30 -0.01 0.00 0.00 177.63 175.32 3hpj n PRO 15 N 2.19 1.41 -0.96 2.89 -0.02 -1.26 -1.75 135.00 137.49 3hpj n PRO 15 Ca 0.25 0.50 0.00 0.00 -2.02 0.00 0.00 63.50 62.23 3hpj n PRO 15 Cb 0.51 -1.97 0.00 0.00 -0.02 0.00 0.00 33.50 32.02 3hpj n PRO 15 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3hpj n GLY 16 N 1.18 0.38 1.33 -1.23 0.00 -1.26 -4.83 105.19 100.75 3hpj n GLY 16 Ca 0.09 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.15 3hpj n GLY 16 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hpj n ARG 17 N -1.63 0.20 0.00 1.61 1.74 -0.72 -5.14 116.66 112.73 3hpj n ARG 17 Ca 0.00 -2.10 0.00 0.00 -0.77 0.00 0.00 57.85 54.98 3hpj n ARG 17 Cb 0.15 -0.23 0.00 0.00 -1.02 0.00 0.00 32.46 31.36 3hpj n ARG 17 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3hpj n GLY 18 N 0.27 1.00 3.46 -0.13 0.00 -1.26 -4.91 105.19 103.62 3hpj n GLY 18 Ca 0.07 -0.59 -0.54 0.00 0.00 0.00 0.00 46.02 44.96 3hpj n GLY 18 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3hpj n GLU 19 N 0.30 0.00 -1.66 1.61 -0.58 -1.26 -4.43 120.64 114.62 3hpj n GLU 19 Ca 0.00 0.00 -0.44 0.00 -0.42 0.00 0.00 57.16 56.30 3hpj n GLU 19 Cb 0.00 -1.29 -0.01 0.00 -0.57 0.00 0.00 31.44 29.57 3hpj n GLU 19 CO 0.00 0.00 0.00 -2.30 -0.48 0.00 0.00 177.13 174.35 3hpj n PRO 20 N 1.29 1.87 -2.37 3.49 -0.02 -1.26 -4.71 135.00 133.28 3hpj n PRO 20 Ca 0.19 0.66 -0.42 0.00 -2.02 0.00 0.00 63.50 61.91 3hpj n PRO 20 Cb 0.15 -2.20 -0.03 0.00 -0.02 0.00 0.00 33.50 31.41 3hpj n PRO 20 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 3hpj s ARG 21 N -1.40 4.40 -0.13 -0.52 3.00 -0.27 -4.84 118.95 119.19 3hpj s ARG 21 Ca 0.60 1.83 0.02 0.00 -1.00 0.00 0.00 55.73 57.17 3hpj s ARG 21 Cb -0.63 -3.35 0.01 0.00 0.00 0.00 0.00 34.95 30.98 3hpj s ARG 21 CO 0.58 -0.32 -0.18 0.12 0.00 0.00 0.00 175.30 175.51 3hpj s PHE 22 N 1.21 2.31 -0.08 5.12 5.36 -1.26 -0.85 117.98 129.80 3hpj s PHE 22 Ca 0.60 -1.16 0.03 0.00 -0.96 0.00 0.00 56.93 55.44 3hpj s PHE 22 Cb -0.31 -1.62 0.01 0.00 -0.34 0.00 0.00 43.02 40.76 3hpj s PHE 22 CO 0.29 -0.57 -0.17 0.42 -1.46 0.00 0.00 175.22 173.73 3hpj s ILE 23 N 0.98 1.52 -0.01 3.12 1.01 0.30 -0.94 121.20 127.18 3hpj s ILE 23 Ca -0.05 -0.71 0.07 0.00 0.00 0.00 0.00 60.65 59.95 3hpj s ILE 23 Cb -0.15 -1.35 -0.02 0.00 0.01 0.00 0.00 42.46 40.96 3hpj s ILE 23 CO -0.03 0.44 -0.21 0.00 0.00 0.00 0.00 174.94 175.14 3hpj s ALA 24 N 0.49 1.75 0.01 9.38 0.00 0.05 -0.71 121.76 132.73 3hpj s ALA 24 Ca -0.16 -0.92 -0.02 0.00 0.00 0.00 0.00 51.96 50.87 3hpj s ALA 24 Cb -0.16 -0.44 -0.01 0.00 0.00 0.00 0.00 23.12 22.51 3hpj s ALA 24 CO 0.06 0.43 0.01 0.14 0.00 0.00 0.00 175.76 176.39 3hpj s VAL 25 N -0.52 0.09 -0.01 0.00 -7.23 -0.62 -1.28 120.40 110.84 3hpj s VAL 25 Ca 0.08 -0.78 0.06 0.00 -1.81 0.00 0.00 61.98 59.53 3hpj s VAL 25 Cb -0.08 -0.28 -0.02 0.00 0.56 0.00 0.00 36.38 36.56 3hpj s VAL 25 CO -0.01 -0.43 -0.19 -0.83 -0.31 0.00 0.00 175.10 173.33 3hpj s GLY 26 N -1.31 0.97 0.01 2.32 0.00 -1.00 -0.74 107.32 107.56 3hpj s GLY 26 Ca -0.14 -0.87 0.06 0.00 0.00 0.00 0.00 44.72 43.77 3hpj s GLY 26 CO -0.00 -0.74 -0.17 -0.19 0.00 0.00 0.00 173.10 172.00 3hpj s TYR 27 N -0.51 1.55 -0.22 1.90 1.51 0.50 -0.55 117.35 121.51 3hpj s TYR 27 Ca 0.07 -0.32 -0.06 0.00 -1.01 0.00 0.00 57.07 55.76 3hpj s TYR 27 Cb -0.08 -0.97 -0.02 0.00 -0.11 0.00 0.00 41.96 40.78 3hpj s TYR 27 CO -0.00 0.01 0.03 0.08 -1.11 0.00 0.00 175.55 174.56 3hpj s VAL 28 N -0.56 4.08 0.00 0.71 1.01 0.34 -1.09 120.40 124.89 3hpj s VAL 28 Ca 0.06 -0.26 0.00 0.00 0.00 0.00 0.00 61.98 61.78 3hpj s VAL 28 Cb -0.07 -2.88 0.00 0.00 0.00 0.00 0.00 36.38 33.43 3hpj s VAL 28 CO 0.00 0.39 0.00 0.47 0.00 0.00 0.00 175.10 175.96 3hpj n ASP 29 N 4.58 0.00 -1.86 3.32 10.43 -0.14 -0.55 116.55 132.32 3hpj n ASP 29 Ca -0.17 0.00 0.07 0.00 2.57 0.00 0.00 54.79 57.26 3hpj n ASP 29 Cb 0.51 0.00 0.40 0.00 1.84 0.00 0.00 41.12 43.87 3hpj n ASP 29 CO 0.00 0.00 0.00 0.47 -1.07 0.00 0.00 177.20 176.60 3hpj n ASP 30 N 5.45 5.62 -4.18 -2.24 8.00 -1.26 -4.85 116.55 123.09 3hpj n ASP 30 Ca 0.00 -2.90 -0.34 0.00 0.71 0.00 0.00 54.79 52.26 3hpj n ASP 30 Cb 0.00 -0.68 -0.15 0.00 -0.02 0.00 0.00 41.12 40.27 3hpj n ASP 30 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3hpj s THR 31 N -2.71 2.73 0.35 -3.53 2.01 0.28 -5.04 115.64 109.73 3hpj s THR 31 Ca 0.53 -1.10 -0.28 0.00 0.31 0.00 0.00 61.69 61.15 3hpj s THR 31 Cb 0.41 -2.40 -0.10 0.00 0.01 0.00 0.00 72.50 70.41 3hpj s THR 31 CO 0.16 0.19 1.31 -1.58 -0.69 0.00 0.00 174.62 174.00 3hpj s GLN 32 N 1.29 4.28 0.00 4.92 0.74 -1.26 -0.50 119.66 129.13 3hpj s GLN 32 Ca -0.01 2.21 0.00 0.00 0.05 0.00 0.00 55.36 57.61 3hpj s GLN 32 Cb -0.17 -3.01 0.00 0.00 1.10 0.00 0.00 33.01 30.93 3hpj s GLN 32 CO -0.05 -0.25 0.00 1.97 -0.55 0.00 0.00 175.29 176.41 3hpj n PHE 33 N 0.66 0.00 -4.15 1.67 -1.74 0.28 -4.24 117.46 109.95 3hpj n PHE 33 Ca 0.01 0.00 -0.12 0.00 -0.56 0.00 0.00 57.45 56.78 3hpj n PHE 33 Cb 0.42 0.00 -0.10 0.00 1.52 0.00 0.00 39.48 41.32 3hpj n PHE 33 CO 0.00 0.00 0.00 0.14 -0.56 0.00 0.00 176.76 176.34 3hpj s VAL 34 N -0.89 0.69 0.10 1.97 -7.23 -1.21 0.13 120.40 113.96 3hpj s VAL 34 Ca 0.00 -1.71 -0.11 0.00 -1.81 0.00 0.00 61.98 58.35 3hpj s VAL 34 Cb 0.00 -1.41 0.01 0.00 0.56 0.00 0.00 36.38 35.54 3hpj s VAL 34 CO 0.00 -0.73 0.24 0.00 -0.31 0.00 0.00 175.10 174.31 3hpj s ARG 35 N -3.20 0.90 -0.07 4.82 1.70 -0.75 -2.38 118.95 119.97 3hpj s ARG 35 Ca 0.06 -0.88 -0.05 0.00 -0.47 0.00 0.00 55.73 54.39 3hpj s ARG 35 Cb 0.01 0.37 0.03 0.00 -0.57 0.00 0.00 34.95 34.79 3hpj s ARG 35 CO -0.03 -0.30 0.17 0.12 -1.08 0.00 0.00 175.30 174.18 3hpj s PHE 36 N -3.80 -0.20 -0.10 5.89 2.19 -0.40 -0.63 117.98 120.93 3hpj s PHE 36 Ca 0.04 0.50 0.00 0.00 0.33 0.00 0.00 56.93 57.80 3hpj s PHE 36 Cb 0.04 0.02 0.02 0.00 -1.31 0.00 0.00 43.02 41.79 3hpj s PHE 36 CO -0.11 -0.13 -0.09 0.34 1.83 0.00 0.00 175.22 177.06 3hpj s ASP 37 N 0.59 2.09 0.43 6.13 -1.08 -1.26 -0.77 116.67 122.80 3hpj s ASP 37 Ca -0.04 -0.30 0.19 0.00 -0.52 0.00 0.00 52.55 51.88 3hpj s ASP 37 Cb -0.06 -0.84 0.98 0.00 -1.46 0.00 0.00 42.92 41.55 3hpj s ASP 37 CO -0.03 -0.09 1.90 0.77 0.52 0.00 0.00 175.17 178.24 3hpj h SER 38 N 7.93 0.00 0.08 -0.34 4.64 -1.43 -0.35 113.55 124.08 3hpj h SER 38 Ca -0.30 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.02 3hpj h SER 38 Cb 1.14 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.23 3hpj h SER 38 CO 0.42 0.27 -0.01 0.47 -0.87 0.00 0.00 176.83 177.11 3hpj n ASP 39 N -3.82 0.37 -4.84 4.97 9.92 -1.26 -4.93 116.55 116.96 3hpj n ASP 39 Ca -0.01 -1.00 -0.31 0.00 -0.53 0.00 0.00 54.79 52.94 3hpj n ASP 39 Cb 0.36 -0.03 0.05 0.00 -0.64 0.00 0.00 41.12 40.86 3hpj n ASP 39 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3hpj s ALA 40 N -2.09 2.74 0.11 2.24 0.00 -0.14 -4.99 121.76 119.63 3hpj s ALA 40 Ca 0.42 -0.12 -0.19 0.00 0.00 0.00 0.00 51.96 52.07 3hpj s ALA 40 Cb 0.21 -3.10 -0.06 0.00 0.00 0.00 0.00 23.12 20.17 3hpj s ALA 40 CO 0.38 -1.18 1.72 0.00 0.00 0.00 0.00 175.76 176.68 3hpj h ALA 41 N -0.69 0.30 -0.34 0.00 0.00 -1.91 -3.34 119.26 113.28 3hpj h ALA 41 Ca -0.45 -0.06 -0.09 0.00 0.00 0.00 0.00 54.91 54.32 3hpj h ALA 41 Cb 1.23 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.91 3hpj h ALA 41 CO 0.60 -0.18 -0.16 0.66 0.00 0.00 0.00 179.25 180.17 3hpj h SER 42 N 0.27 0.61 -5.45 0.00 4.64 -1.94 -3.47 113.55 108.22 3hpj h SER 42 Ca 0.08 -0.19 -0.41 0.00 -0.47 0.00 0.00 61.79 60.80 3hpj h SER 42 Cb 0.05 -0.16 0.07 0.00 -0.31 0.00 0.00 62.40 62.05 3hpj h SER 42 CO -0.01 0.79 -0.66 0.00 -0.87 0.00 0.00 176.83 176.07 3hpj n GLN 43 N -4.16 -6.35 -4.15 4.77 1.13 -1.26 -5.02 117.38 102.35 3hpj n GLN 43 Ca 0.01 0.80 -0.17 0.00 -1.94 0.00 0.00 57.00 55.70 3hpj n GLN 43 Cb 0.37 -5.75 -0.12 0.00 0.11 0.00 0.00 30.24 24.85 3hpj n GLN 43 CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 3hpj s ARG 44 N -6.15 0.76 0.24 -1.09 1.81 -1.26 -5.03 118.95 108.23 3hpj s ARG 44 Ca 0.50 -0.94 -0.30 0.00 -1.72 0.00 0.00 55.73 53.27 3hpj s ARG 44 Cb -0.23 -0.67 -0.10 0.00 -0.45 0.00 0.00 34.95 33.50 3hpj s ARG 44 CO 0.62 0.14 1.45 1.41 -0.68 0.00 0.00 175.30 178.24 3hpj s MET 45 N -1.84 4.26 0.09 3.54 -2.45 -1.26 -4.64 119.30 117.00 3hpj s MET 45 Ca -0.03 2.30 0.07 0.00 -1.25 0.00 0.00 55.69 56.79 3hpj s MET 45 Cb -0.09 -3.12 -0.03 0.00 1.25 0.00 0.00 34.83 32.84 3hpj s MET 45 CO 0.02 -0.44 -0.19 -1.21 1.05 0.00 0.00 175.02 174.25 3hpj s GLU 46 N -0.20 1.03 0.39 4.11 2.02 0.20 -4.91 118.70 121.34 3hpj s GLU 46 Ca 0.60 -1.09 -0.25 0.00 0.02 0.00 0.00 54.97 54.26 3hpj s GLU 46 Cb -0.42 -1.21 -0.09 0.00 0.10 0.00 0.00 34.13 32.51 3hpj s GLU 46 CO 0.42 0.28 1.11 -1.25 0.02 0.00 0.00 175.26 175.84 3hpj s PRO 47 N -1.83 4.14 -0.02 0.39 0.04 -1.26 -1.80 135.00 134.66 3hpj s PRO 47 Ca 0.04 1.69 0.03 0.00 0.04 0.00 0.00 61.00 62.79 3hpj s PRO 47 Cb -0.10 -2.65 0.04 0.00 0.04 0.00 0.00 34.50 31.83 3hpj s PRO 47 CO 0.04 -0.20 0.83 0.54 0.04 0.00 0.00 177.00 178.24 3hpj n ARG 48 N 0.09 1.21 -3.96 4.56 5.12 0.12 -4.86 116.66 118.94 3hpj n ARG 48 Ca 0.04 -1.20 -0.12 0.00 -1.93 0.00 0.00 57.85 54.65 3hpj n ARG 48 Cb 0.48 -0.81 -0.13 0.00 -1.16 0.00 0.00 32.46 30.84 3hpj n ARG 48 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3hpj s ALA 49 N -0.73 0.15 0.40 7.54 0.00 -1.23 -4.62 121.76 123.26 3hpj s ALA 49 Ca 0.04 -0.26 0.07 0.00 0.00 0.00 0.00 51.96 51.81 3hpj s ALA 49 Cb 0.04 0.03 0.82 0.00 0.00 0.00 0.00 23.12 24.00 3hpj s ALA 49 CO 0.00 -0.03 2.02 -1.35 0.00 0.00 0.00 175.76 176.41 3hpj h PRO 50 N 5.59 0.50 0.00 0.00 0.11 -1.95 -3.12 132.00 133.13 3hpj h PRO 50 Ca -0.28 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.78 3hpj h PRO 50 Cb 1.21 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.21 3hpj h PRO 50 CO 0.47 0.38 0.00 -2.67 -0.21 0.00 0.00 178.00 175.98 3hpj n TRP 51 N -4.43 0.30 0.10 0.65 4.27 -1.26 -2.55 117.44 114.52 3hpj n TRP 51 Ca 0.02 0.10 0.11 0.00 -3.89 0.00 0.00 57.50 53.85 3hpj n TRP 51 Cb 0.11 -0.67 -0.08 0.00 -1.36 0.00 0.00 31.31 29.31 3hpj n TRP 51 CO 0.00 0.00 0.00 1.51 -2.29 0.00 0.00 177.69 176.91 3hpj n ILE 52 N -1.76 0.27 0.27 -1.67 0.13 -1.18 -4.23 119.36 111.20 3hpj n ILE 52 Ca 0.05 -0.49 0.15 0.00 -1.10 0.00 0.00 62.75 61.35 3hpj n ILE 52 Cb 0.27 -0.11 0.69 0.00 -0.84 0.00 0.00 39.64 39.64 3hpj n ILE 52 CO 0.00 0.00 0.00 -0.33 2.80 0.00 0.00 176.55 179.02 3hpj h GLU 53 N 0.00 0.00 0.00 9.51 5.08 -1.54 -2.14 114.58 125.49 3hpj h GLU 53 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3hpj h GLU 53 Cb 0.97 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.22 3hpj h GLU 53 CO 0.00 0.00 -0.19 0.00 -1.00 0.00 0.00 179.01 177.82 3hpj n GLN 54 N -3.00 0.10 -2.04 2.33 10.64 -1.26 -4.83 117.38 119.32 3hpj n GLN 54 Ca 0.01 0.06 -0.40 0.00 -1.83 0.00 0.00 57.00 54.84 3hpj n GLN 54 Cb 0.54 -1.60 -0.01 0.00 -0.86 0.00 0.00 30.24 28.32 3hpj n GLN 54 CO 0.00 0.00 0.00 -1.21 -1.83 0.00 0.00 177.06 174.02 3hpj s GLU 55 N -3.05 4.01 0.83 2.61 0.41 -0.81 -4.99 118.70 117.71 3hpj s GLU 55 Ca 0.11 2.19 -0.13 0.00 -0.41 0.00 0.00 54.97 56.74 3hpj s GLU 55 Cb 0.16 -2.80 0.19 0.00 -1.78 0.00 0.00 34.13 29.90 3hpj s GLU 55 CO 0.61 -0.47 1.13 0.41 -0.49 0.00 0.00 175.26 176.45 3hpj n GLY 56 N 0.67 -1.17 0.34 -1.39 0.00 -1.26 -4.85 105.19 97.53 3hpj n GLY 56 Ca 0.03 -1.75 0.13 0.00 0.00 0.00 0.00 46.02 44.43 3hpj n GLY 56 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3hpj h PRO 57 N 0.00 0.25 -0.43 1.61 0.13 -1.98 -2.14 132.00 129.44 3hpj h PRO 57 Ca -0.37 -0.02 0.01 0.00 -0.87 0.00 0.00 66.00 64.76 3hpj h PRO 57 Cb 1.04 -0.06 -0.02 0.00 0.13 0.00 0.00 31.00 32.09 3hpj h PRO 57 CO 0.27 0.17 0.28 1.49 -0.23 0.00 0.00 178.00 179.98 3hpj h GLU 58 N 0.26 0.55 0.30 0.86 4.22 -1.98 0.32 114.58 119.10 3hpj h GLU 58 Ca 0.23 -0.03 -0.01 0.00 0.08 0.00 0.00 59.36 59.62 3hpj h GLU 58 Cb 0.55 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.67 3hpj h GLU 58 CO -0.05 0.36 -0.19 -0.92 -2.18 0.00 0.00 179.01 176.04 3hpj h TYR 59 N 0.56 -0.49 -0.48 0.92 3.20 -1.74 -1.23 116.97 117.71 3hpj h TYR 59 Ca 0.16 -0.00 -0.04 0.00 3.14 0.00 0.00 58.73 61.98 3hpj h TYR 59 Cb -0.05 0.18 -0.02 0.00 1.54 0.00 0.00 36.73 38.38 3hpj h TYR 59 CO -0.05 -0.29 0.13 -1.49 -1.64 0.00 0.00 178.16 174.82 3hpj h TRP 60 N -0.47 0.80 -0.60 -3.82 4.06 -1.29 0.75 115.95 115.38 3hpj h TRP 60 Ca -0.03 -0.09 -0.06 0.00 2.06 0.00 0.00 58.89 60.77 3hpj h TRP 60 Cb 0.39 -0.23 -0.02 0.00 -1.00 0.00 0.00 29.16 28.30 3hpj h TRP 60 CO -0.09 0.72 0.16 -0.44 -3.56 0.00 0.00 178.44 175.22 3hpj h ASP 61 N 0.66 0.91 -0.24 -3.49 3.45 -0.39 -1.73 116.42 115.58 3hpj h ASP 61 Ca 0.15 -0.23 -0.02 0.00 0.43 0.00 0.00 57.03 57.36 3hpj h ASP 61 Cb 0.31 -0.24 -0.01 0.00 -0.56 0.00 0.00 39.33 38.83 3hpj h ASP 61 CO -0.00 0.90 0.06 1.23 -1.57 0.00 0.00 179.24 179.86 3hpj h GLY 62 N 0.87 0.41 1.53 2.75 0.00 -0.84 -1.35 103.07 106.45 3hpj h GLY 62 Ca 0.19 -0.25 -0.05 0.00 0.00 0.00 0.00 47.33 47.22 3hpj h GLY 62 CO 0.00 0.24 0.03 0.83 0.00 0.00 0.00 176.54 177.63 3hpj h GLU 63 N 0.21 0.59 -0.20 4.80 4.39 -0.83 -2.11 114.58 121.42 3hpj h GLU 63 Ca 0.07 -0.12 -0.05 0.00 0.34 0.00 0.00 59.36 59.60 3hpj h GLU 63 Cb 0.27 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 28.83 3hpj h GLU 63 CO 0.00 0.59 -0.07 1.15 -1.16 0.00 0.00 179.01 179.52 3hpj h THR 64 N 0.56 1.30 -0.27 1.13 2.02 -1.16 -1.28 112.91 115.20 3hpj h THR 64 Ca 0.12 -1.09 0.06 0.00 0.77 0.00 0.00 66.41 66.27 3hpj h THR 64 Cb 0.32 1.59 -0.06 0.00 -1.74 0.00 0.00 68.15 68.26 3hpj h THR 64 CO 0.01 0.33 -0.09 -0.09 0.37 0.00 0.00 175.52 176.05 3hpj h ARG 65 N 0.12 -0.04 -0.63 6.66 2.43 -1.06 -1.22 114.38 120.65 3hpj h ARG 65 Ca 0.05 0.00 -0.07 0.00 -0.81 0.00 0.00 59.98 59.15 3hpj h ARG 65 Cb 0.54 0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 30.07 3hpj h ARG 65 CO 0.02 -0.02 0.13 0.87 -1.51 0.00 0.00 179.97 179.46 3hpj h LYS 66 N -0.04 1.02 -0.05 0.20 1.57 -1.30 -2.03 116.57 115.94 3hpj h LYS 66 Ca 0.14 -0.26 -0.16 0.00 -1.87 0.00 0.00 60.65 58.50 3hpj h LYS 66 Cb 0.24 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.42 3hpj h LYS 66 CO -0.30 0.94 -0.68 -0.24 -0.57 0.00 0.00 179.45 178.60 3hpj h VAL 67 N 0.94 1.41 -0.07 0.50 3.04 -0.96 -1.09 116.25 120.01 3hpj h VAL 67 Ca 0.19 -2.15 -0.16 0.00 -1.01 0.00 0.00 66.70 63.57 3hpj h VAL 67 Cb 0.40 2.12 -0.01 0.00 -2.01 0.00 0.00 31.29 31.79 3hpj h VAL 67 CO 0.01 0.63 -0.66 0.11 -1.01 0.00 0.00 177.57 176.65 3hpj h LYS 68 N 0.17 0.28 -0.36 4.17 1.57 -1.15 -1.81 116.57 119.43 3hpj h LYS 68 Ca -0.02 -0.21 -0.03 0.00 -1.87 0.00 0.00 60.65 58.53 3hpj h LYS 68 Cb 1.22 0.04 -0.02 0.00 0.08 0.00 0.00 32.23 33.55 3hpj h LYS 68 CO 0.11 0.84 0.12 0.00 -0.57 0.00 0.00 179.45 179.94 3hpj h ALA 69 N 1.11 0.47 -0.76 3.86 0.00 -0.95 -2.83 119.26 120.17 3hpj h ALA 69 Ca -0.01 -0.16 0.03 0.00 0.00 0.00 0.00 54.91 54.77 3hpj h ALA 69 Cb 1.19 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 18.80 3hpj h ALA 69 CO 0.10 0.11 0.48 0.45 0.00 0.00 0.00 179.25 180.39 3hpj h HIS 70 N 0.43 0.89 -0.60 0.00 3.86 -0.94 -1.12 115.15 117.67 3hpj h HIS 70 Ca 0.12 0.02 0.12 0.00 -1.16 0.00 0.00 60.37 59.47 3hpj h HIS 70 Cb 0.24 -0.29 -0.11 0.00 1.06 0.00 0.00 27.41 28.31 3hpj h HIS 70 CO 0.01 0.51 -0.09 1.03 0.86 0.00 0.00 177.93 180.25 3hpj h SER 71 N 0.93 -0.44 -0.64 2.45 0.87 -1.28 -0.75 113.55 114.68 3hpj h SER 71 Ca 0.30 0.17 -0.07 0.00 -1.23 0.00 0.00 61.79 60.96 3hpj h SER 71 Cb 0.02 0.33 -0.03 0.00 -0.44 0.00 0.00 62.40 62.29 3hpj h SER 71 CO -0.11 -0.17 0.12 1.56 -0.53 0.00 0.00 176.83 177.70 3hpj h GLN 72 N 0.04 1.05 -0.30 2.24 1.08 -1.02 -2.37 115.11 115.83 3hpj h GLN 72 Ca 0.30 -0.27 -0.17 0.00 -1.45 0.00 0.00 58.65 57.07 3hpj h GLN 72 Cb 0.47 -0.13 -0.00 0.00 -0.05 0.00 0.00 27.48 27.77 3hpj h GLN 72 CO -0.58 0.96 -0.47 1.79 -0.95 0.00 0.00 178.83 179.58 3hpj h THR 73 N 0.96 1.28 0.00 -0.54 1.35 -0.54 -2.62 112.91 112.81 3hpj h THR 73 Ca 0.20 -1.66 -0.06 0.00 -0.55 0.00 0.00 66.41 64.34 3hpj h THR 73 Cb 0.41 1.55 -0.01 0.00 -1.73 0.00 0.00 68.15 68.36 3hpj h THR 73 CO 0.01 0.54 -0.30 0.45 -0.25 0.00 0.00 175.52 175.97 3hpj h HIS 74 N 0.64 0.00 -0.75 4.73 3.86 -1.14 0.17 115.15 122.66 3hpj h HIS 74 Ca 0.03 0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 59.23 3hpj h HIS 74 Cb 1.05 0.00 -0.04 0.00 1.06 0.00 0.00 27.41 29.48 3hpj h HIS 74 CO 0.06 0.30 0.40 -0.09 0.86 0.00 0.00 177.93 179.46 3hpj h ARG 75 N 0.00 1.06 -0.35 2.45 2.43 -1.26 -1.42 114.38 117.28 3hpj h ARG 75 Ca -0.00 -0.13 -0.08 0.00 -0.81 0.00 0.00 59.98 58.96 3hpj h ARG 75 Cb 0.56 -0.20 -0.01 0.00 -0.42 0.00 0.00 29.97 29.89 3hpj h ARG 75 CO 0.04 0.80 -0.08 0.28 -1.51 0.00 0.00 179.97 179.49 3hpj h VAL 76 N 1.04 1.28 -0.99 0.20 2.07 -0.73 -3.12 116.25 116.00 3hpj h VAL 76 Ca 0.26 -1.14 0.16 0.00 0.82 0.00 0.00 66.70 66.80 3hpj h VAL 76 Cb 0.06 1.30 -0.10 0.00 -1.52 0.00 0.00 31.29 31.03 3hpj h VAL 76 CO -0.04 0.38 0.60 0.44 0.02 0.00 0.00 177.57 178.97 3hpj h ASP 77 N 0.47 0.81 -0.53 0.57 3.32 -0.54 -1.29 116.42 119.23 3hpj h ASP 77 Ca 0.09 0.08 -0.02 0.00 0.02 0.00 0.00 57.03 57.20 3hpj h ASP 77 Cb 0.59 -0.07 -0.02 0.00 0.22 0.00 0.00 39.33 40.04 3hpj h ASP 77 CO 0.03 0.34 0.24 -0.07 -1.72 0.00 0.00 179.24 178.06 3hpj h LEU 78 N 0.83 0.70 -0.42 1.55 3.38 -1.20 -0.69 115.31 119.46 3hpj h LEU 78 Ca 0.54 -0.15 -0.02 0.00 0.09 0.00 0.00 57.88 58.35 3hpj h LEU 78 Cb 0.74 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.29 3hpj h LEU 78 CO -0.34 0.65 0.20 1.23 0.09 0.00 0.00 178.44 180.27 3hpj h GLY 79 N 0.71 0.65 0.69 0.83 0.00 -1.45 -2.38 103.07 102.12 3hpj h GLY 79 Ca 0.18 -0.32 0.05 0.00 0.00 0.00 0.00 47.33 47.23 3hpj h GLY 79 CO -0.02 0.31 0.22 -0.84 0.00 0.00 0.00 176.54 176.21 3hpj h THR 80 N 0.54 0.93 -0.43 4.70 2.02 -0.85 -0.90 112.91 118.91 3hpj h THR 80 Ca 0.14 -0.15 -0.10 0.00 0.77 0.00 0.00 66.41 67.07 3hpj h THR 80 Cb 0.12 0.45 -0.01 0.00 -1.74 0.00 0.00 68.15 66.97 3hpj h THR 80 CO -0.02 0.08 -0.14 -0.07 0.37 0.00 0.00 175.52 175.74 3hpj h LEU 81 N 0.44 0.87 -0.79 2.58 3.38 -1.12 0.14 115.31 120.80 3hpj h LEU 81 Ca 0.21 -0.38 0.10 0.00 0.09 0.00 0.00 57.88 57.91 3hpj h LEU 81 Cb 0.15 -0.24 -0.07 0.00 0.09 0.00 0.00 40.66 40.59 3hpj h LEU 81 CO -0.17 1.05 0.44 -0.09 0.09 0.00 0.00 178.44 179.76 3hpj h ARG 82 N 0.69 0.70 -0.60 1.13 2.43 -1.25 0.49 114.38 117.97 3hpj h ARG 82 Ca 0.11 -0.04 -0.09 0.00 -0.81 0.00 0.00 59.98 59.15 3hpj h ARG 82 Cb 0.69 -0.16 -0.02 0.00 -0.42 0.00 0.00 29.97 30.05 3hpj h ARG 82 CO 0.05 0.47 0.04 0.78 -1.51 0.00 0.00 179.97 179.79 3hpj h GLY 83 N 0.73 1.09 1.32 2.80 0.00 -0.71 -0.31 103.07 107.98 3hpj h GLY 83 Ca 0.39 -0.76 -0.12 0.00 0.00 0.00 0.00 47.33 46.84 3hpj h GLY 83 CO -0.26 0.70 -0.24 -0.97 0.00 0.00 0.00 176.54 175.77 3hpj h TYR 84 N 0.94 0.89 -0.21 5.60 0.05 0.09 -3.27 116.97 121.06 3hpj h TYR 84 Ca 0.18 -0.21 0.00 0.00 0.05 0.00 0.00 58.73 58.75 3hpj h TYR 84 Cb 0.49 -0.21 0.00 0.00 1.01 0.00 0.00 36.73 38.02 3hpj h TYR 84 CO 0.03 0.94 0.00 0.66 -1.05 0.00 0.00 178.16 178.74 3hpj n TYR 85 N -4.10 0.26 -3.11 4.88 4.01 0.09 -4.89 117.16 114.29 3hpj n TYR 85 Ca -0.00 -0.16 -0.21 0.00 -0.16 0.00 0.00 57.90 57.36 3hpj n TYR 85 Cb 0.44 -0.00 0.04 0.00 -0.31 0.00 0.00 39.34 39.52 3hpj n TYR 85 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 3hpj n ASN 86 N 1.15 -5.93 -4.88 7.72 4.13 -0.51 -4.98 115.26 111.97 3hpj n ASN 86 Ca 0.14 -0.33 -0.30 0.00 1.68 0.00 0.00 54.58 55.77 3hpj n ASN 86 Cb 0.51 -4.69 -0.04 0.00 -1.54 0.00 0.00 39.78 34.01 3hpj n ASN 86 CO 0.00 0.00 0.00 -1.10 0.28 0.00 0.00 177.26 176.44 3hpj s GLN 87 N -5.78 3.76 0.67 3.52 -0.21 -0.24 -5.03 119.66 116.33 3hpj s GLN 87 Ca 0.35 0.27 -0.14 0.00 0.02 0.00 0.00 55.36 55.86 3hpj s GLN 87 Cb -0.16 -2.56 0.01 0.00 1.00 0.00 0.00 33.01 31.30 3hpj s GLN 87 CO 0.44 0.17 1.11 0.45 -2.12 0.00 0.00 175.29 175.34 3hpj s SER 88 N -2.84 5.05 0.57 5.90 0.15 -1.26 -4.79 113.70 116.48 3hpj s SER 88 Ca 0.48 1.97 0.35 0.00 0.70 0.00 0.00 55.95 59.45 3hpj s SER 88 Cb -0.11 -2.55 1.52 0.00 -1.71 0.00 0.00 66.02 63.18 3hpj s SER 88 CO 0.27 -1.67 2.04 -0.08 1.20 0.00 0.00 173.24 175.00 3hpj h GLU 89 N -0.10 0.00 0.00 5.44 4.81 -1.97 -3.30 114.58 119.46 3hpj h GLU 89 Ca -0.46 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.77 3hpj h GLU 89 Cb 1.24 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.62 3hpj h GLU 89 CO 0.54 0.01 -0.32 0.00 -0.73 0.00 0.00 179.01 178.51 3hpj n ALA 90 N -2.10 3.09 -2.50 2.92 0.00 -1.26 -4.74 120.51 115.92 3hpj n ALA 90 Ca -0.00 -0.26 -0.36 0.00 0.00 0.00 0.00 53.44 52.83 3hpj n ALA 90 Cb 0.27 -1.25 -0.06 0.00 0.00 0.00 0.00 19.45 18.42 3hpj n ALA 90 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3hpj s GLY 91 N -3.03 2.41 0.10 0.00 0.00 -1.25 -4.74 107.32 100.82 3hpj s GLY 91 Ca 0.12 -0.27 -0.30 0.00 0.00 0.00 0.00 44.72 44.27 3hpj s GLY 91 CO 0.64 0.00 1.01 -0.45 0.00 0.00 0.00 173.10 174.30 3hpj s SER 92 N -1.58 7.40 0.21 1.64 0.15 -1.26 -4.74 113.70 115.51 3hpj s SER 92 Ca 0.32 1.85 0.05 0.00 0.70 0.00 0.00 55.95 58.87 3hpj s SER 92 Cb -0.15 -2.59 -0.05 0.00 -1.71 0.00 0.00 66.02 61.52 3hpj s SER 92 CO 0.17 -0.16 -0.06 -1.00 1.20 0.00 0.00 173.24 173.39 3hpj s HIS 93 N 0.22 1.56 -0.08 3.44 3.76 -1.26 -4.97 115.29 117.96 3hpj s HIS 93 Ca 0.49 -0.80 0.01 0.00 -0.15 0.00 0.00 55.06 54.61 3hpj s HIS 93 Cb -0.25 -0.85 0.02 0.00 1.11 0.00 0.00 32.58 32.61 3hpj s HIS 93 CO 0.30 0.09 -0.09 0.99 -0.85 0.00 0.00 174.74 175.18 3hpj s THR 94 N -3.27 1.02 -0.12 1.30 2.01 -1.26 -1.40 115.64 113.91 3hpj s THR 94 Ca 0.25 -0.35 -0.03 0.00 0.31 0.00 0.00 61.69 61.87 3hpj s THR 94 Cb 0.04 -0.99 -0.03 0.00 0.01 0.00 0.00 72.50 71.53 3hpj s THR 94 CO 0.07 0.35 -0.03 -0.69 -0.69 0.00 0.00 174.62 173.63 3hpj s VAL 95 N 1.16 4.03 0.07 3.82 1.01 -0.47 -0.28 120.40 129.74 3hpj s VAL 95 Ca -0.05 -0.33 0.07 0.00 0.00 0.00 0.00 61.98 61.67 3hpj s VAL 95 Cb -0.14 -2.73 -0.03 0.00 0.00 0.00 0.00 36.38 33.48 3hpj s VAL 95 CO -0.02 0.54 -0.19 -1.10 0.00 0.00 0.00 175.10 174.33 3hpj s GLN 96 N -0.18 1.18 0.01 2.72 -0.21 -0.76 -0.55 119.66 121.88 3hpj s GLN 96 Ca 0.04 -1.00 0.00 0.00 0.02 0.00 0.00 55.36 54.43 3hpj s GLN 96 Cb -0.13 -1.33 -0.01 0.00 1.00 0.00 0.00 33.01 32.54 3hpj s GLN 96 CO 0.02 0.32 -0.02 0.50 -2.12 0.00 0.00 175.29 173.99 3hpj s ARG 97 N -1.48 0.20 -0.06 2.91 3.52 -0.55 -0.61 118.95 122.88 3hpj s ARG 97 Ca 0.06 -0.28 -0.04 0.00 -0.13 0.00 0.00 55.73 55.34 3hpj s ARG 97 Cb -0.09 -0.05 0.03 0.00 -1.56 0.00 0.00 34.95 33.27 3hpj s ARG 97 CO 0.03 0.01 0.15 1.41 -0.81 0.00 0.00 175.30 176.09 3hpj s MET 98 N -0.59 0.15 0.16 5.12 1.75 -0.36 -0.78 119.30 124.75 3hpj s MET 98 Ca -0.05 0.29 -0.04 0.00 -1.25 0.00 0.00 55.69 54.64 3hpj s MET 98 Cb -0.04 -0.02 -0.03 0.00 2.84 0.00 0.00 34.83 37.58 3hpj s MET 98 CO -0.00 -0.08 0.16 1.52 -0.65 0.00 0.00 175.02 175.96 3hpj s TYR 99 N 0.55 0.77 -5.00 4.11 -0.85 -0.72 -1.24 117.35 114.97 3hpj s TYR 99 Ca -0.04 -1.11 0.00 0.00 -0.52 0.00 0.00 57.07 55.40 3hpj s TYR 99 Cb -0.05 -0.35 0.00 0.00 0.38 0.00 0.00 41.96 41.94 3hpj s TYR 99 CO -0.03 -0.63 0.00 0.41 -1.52 0.00 0.00 175.55 173.79 3hpj n GLY 100 N -0.18 -0.70 3.12 5.49 0.00 -0.88 -0.82 105.19 111.22 3hpj n GLY 100 Ca -0.04 -1.34 -0.14 0.00 0.00 0.00 0.00 46.02 44.50 3hpj n GLY 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hpj s ASP 102 N -2.01 3.86 0.23 0.00 1.01 0.14 -1.89 116.67 118.01 3hpj s ASP 102 Ca -0.02 -0.28 0.11 0.00 0.71 0.00 0.00 52.55 53.06 3hpj s ASP 102 Cb -0.06 -1.05 -0.05 0.00 1.01 0.00 0.00 42.92 42.77 3hpj s ASP 102 CO -0.00 0.28 -0.20 0.68 0.21 0.00 0.00 175.17 176.13 3hpj s VAL 103 N -0.34 2.29 0.00 -1.27 -7.23 -0.23 -0.30 120.40 113.32 3hpj s VAL 103 Ca 0.03 -2.22 0.00 0.00 -1.81 0.00 0.00 61.98 57.98 3hpj s VAL 103 Cb -0.13 -2.17 0.00 0.00 0.56 0.00 0.00 36.38 34.65 3hpj s VAL 103 CO 0.02 -0.32 0.00 0.61 -0.31 0.00 0.00 175.10 175.10 3hpj n GLY 104 N -0.22 0.18 0.34 2.32 0.00 -0.65 -1.37 105.19 105.79 3hpj n GLY 104 Ca -0.09 -1.83 0.22 0.00 0.00 0.00 0.00 46.02 44.32 3hpj n GLY 104 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3hpj h SER 105 N 0.00 0.53 -0.65 1.61 0.02 -1.90 -2.08 113.55 111.08 3hpj h SER 105 Ca 0.00 0.18 0.00 0.00 -0.84 0.00 0.00 61.79 61.13 3hpj h SER 105 Cb 0.00 0.12 0.00 0.00 0.14 0.00 0.00 62.40 62.66 3hpj h SER 105 CO 0.00 -0.09 0.00 -0.90 -1.14 0.00 0.00 176.83 174.70 3hpj n ASP 106 N -5.03 3.74 -2.16 3.07 3.85 -1.26 -4.85 116.55 113.91 3hpj n ASP 106 Ca 0.30 -2.09 -0.20 0.00 -0.71 0.00 0.00 54.79 52.09 3hpj n ASP 106 Cb 0.92 -0.47 -0.02 0.00 -1.35 0.00 0.00 41.12 40.20 3hpj n ASP 106 CO 0.00 0.00 0.00 0.79 -1.01 0.00 0.00 177.20 176.98 3hpj n TRP 107 N 1.35 -0.81 -4.15 2.11 7.02 -0.78 -4.99 117.44 117.18 3hpj n TRP 107 Ca 0.22 0.00 -0.34 0.00 -1.02 0.00 0.00 57.50 56.37 3hpj n TRP 107 Cb 0.62 -3.76 -0.08 0.00 -2.42 0.00 0.00 31.31 25.67 3hpj n TRP 107 CO 0.00 0.00 0.00 1.03 -2.02 0.00 0.00 177.69 176.70 3hpj s ARG 108 N -4.80 3.07 0.08 -0.99 0.52 -1.26 -4.80 118.95 110.76 3hpj s ARG 108 Ca 0.00 -0.43 -0.37 0.00 -0.52 0.00 0.00 55.73 54.41 3hpj s ARG 108 Cb 0.00 -2.87 -0.17 0.00 0.52 0.00 0.00 34.95 32.43 3hpj s ARG 108 CO 0.00 0.67 1.23 0.34 0.02 0.00 0.00 175.30 177.56 3hpj n PHE 109 N 1.52 1.21 -0.03 -0.53 -0.00 -1.26 -1.64 117.46 116.73 3hpj n PHE 109 Ca -0.15 0.76 -0.06 0.00 -0.00 0.00 0.00 57.45 58.00 3hpj n PHE 109 Cb 0.53 -2.25 -0.03 0.00 -0.00 0.00 0.00 39.48 37.73 3hpj n PHE 109 CO 0.00 0.00 0.00 -0.11 -0.00 0.00 0.00 176.76 176.65 3hpj n LEU 110 N 2.18 1.25 -3.52 -2.13 7.94 0.59 -4.81 117.00 118.50 3hpj n LEU 110 Ca 0.18 0.05 -0.09 0.00 -1.11 0.00 0.00 56.01 55.04 3hpj n LEU 110 Cb 0.17 -0.20 -0.03 0.00 0.53 0.00 0.00 43.42 43.89 3hpj n LEU 110 CO 0.62 0.28 0.70 0.00 -1.11 0.00 0.00 177.39 177.88 3hpj s ARG 111 N -2.12 0.77 0.14 1.96 1.70 -1.19 -4.99 118.95 115.22 3hpj s ARG 111 Ca -0.09 -0.19 0.07 0.00 -0.47 0.00 0.00 55.73 55.04 3hpj s ARG 111 Cb 0.03 0.36 -0.04 0.00 -0.57 0.00 0.00 34.95 34.73 3hpj s ARG 111 CO 0.12 -0.32 -0.15 0.20 -1.08 0.00 0.00 175.30 174.07 3hpj s GLY 112 N -2.17 1.20 0.04 3.88 0.00 -1.26 -0.68 107.32 108.32 3hpj s GLY 112 Ca 0.03 -1.39 -0.10 0.00 0.00 0.00 0.00 44.72 43.26 3hpj s GLY 112 CO -0.06 -1.45 0.20 -2.52 0.00 0.00 0.00 173.10 169.27 3hpj s TYR 113 N -2.24 0.04 -0.30 1.90 -0.85 -0.68 -4.80 117.35 110.41 3hpj s TYR 113 Ca 0.12 -0.25 -0.03 0.00 -0.52 0.00 0.00 57.07 56.39 3hpj s TYR 113 Cb -0.04 -0.02 0.19 0.00 0.38 0.00 0.00 41.96 42.47 3hpj s TYR 113 CO 0.04 -0.44 0.71 -1.58 -1.52 0.00 0.00 175.55 172.76 3hpj s HIS 114 N -2.56 -1.37 -0.00 -3.49 2.46 -1.26 -2.08 115.29 106.99 3hpj s HIS 114 Ca -0.05 1.40 -0.03 0.00 0.47 0.00 0.00 55.06 56.85 3hpj s HIS 114 Cb -0.01 0.46 -0.00 0.00 -0.13 0.00 0.00 32.58 32.90 3hpj s HIS 114 CO -0.04 -0.75 0.06 -0.65 -2.47 0.00 0.00 174.74 170.89 3hpj s GLN 115 N 2.88 0.32 0.09 2.88 -0.21 -0.37 -0.98 119.66 124.26 3hpj s GLN 115 Ca 0.16 -0.33 0.05 0.00 0.02 0.00 0.00 55.36 55.26 3hpj s GLN 115 Cb -0.13 0.13 -0.03 0.00 1.00 0.00 0.00 33.01 33.97 3hpj s GLN 115 CO -0.19 -0.06 -0.14 0.71 -2.12 0.00 0.00 175.29 173.48 3hpj s TYR 116 N -1.01 1.26 0.08 0.91 2.02 0.28 -1.23 117.35 119.65 3hpj s TYR 116 Ca -0.11 -0.49 0.07 0.00 -0.37 0.00 0.00 57.07 56.16 3hpj s TYR 116 Cb -0.06 -0.69 -0.03 0.00 -0.40 0.00 0.00 41.96 40.77 3hpj s TYR 116 CO 0.00 0.08 -0.18 0.00 -1.57 0.00 0.00 175.55 173.87 3hpj s ALA 117 N -1.55 1.57 -0.13 3.71 0.00 0.22 -1.03 121.76 124.55 3hpj s ALA 117 Ca 0.01 -1.10 0.02 0.00 0.00 0.00 0.00 51.96 50.89 3hpj s ALA 117 Cb -0.08 -0.22 0.01 0.00 0.00 0.00 0.00 23.12 22.83 3hpj s ALA 117 CO 0.02 0.30 -0.18 -0.47 0.00 0.00 0.00 175.76 175.43 3hpj s TYR 118 N -1.08 2.33 -1.51 0.00 5.04 -0.25 -1.82 117.35 120.06 3hpj s TYR 118 Ca 0.04 -1.17 -0.13 0.00 -2.44 0.00 0.00 57.07 53.37 3hpj s TYR 118 Cb -0.09 -1.63 0.08 0.00 0.35 0.00 0.00 41.96 40.66 3hpj s TYR 118 CO 0.03 -0.57 0.99 -0.25 -1.34 0.00 0.00 175.55 174.41 3hpj n ASP 119 N 4.21 -5.05 0.00 4.32 8.00 0.62 -2.15 116.55 126.50 3hpj n ASP 119 Ca -0.19 -0.73 0.00 0.00 0.71 0.00 0.00 54.79 54.58 3hpj n ASP 119 Cb 0.51 -4.02 0.00 0.00 -0.02 0.00 0.00 41.12 37.59 3hpj n ASP 119 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3hpj n GLY 120 N -1.71 0.60 3.58 0.44 0.00 -1.26 -5.03 105.19 101.81 3hpj n GLY 120 Ca 0.04 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.72 3hpj n GLY 120 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3hpj s LYS 121 N -0.37 2.99 0.03 1.61 2.20 -0.91 -5.08 119.74 120.20 3hpj s LYS 121 Ca 0.00 -0.51 -0.38 0.00 -0.36 0.00 0.00 55.97 54.71 3hpj s LYS 121 Cb 0.00 -2.70 -0.19 0.00 -1.51 0.00 0.00 37.83 33.43 3hpj s LYS 121 CO 0.00 0.59 1.10 -0.25 -0.36 0.00 0.00 175.35 176.42 3hpj n ASP 122 N 2.48 0.29 0.03 1.43 10.43 -1.26 -1.10 116.55 128.84 3hpj n ASP 122 Ca -0.18 1.15 -0.01 0.00 2.57 0.00 0.00 54.79 58.32 3hpj n ASP 122 Cb 0.53 -0.98 -0.00 0.00 1.84 0.00 0.00 41.12 42.50 3hpj n ASP 122 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 3hpj n TYR 123 N 1.62 0.00 -3.81 1.24 9.36 -0.19 -4.72 117.16 120.65 3hpj n TYR 123 Ca 0.19 0.00 -0.12 0.00 3.32 0.00 0.00 57.90 61.29 3hpj n TYR 123 Cb 0.12 -0.07 -0.12 0.00 -0.63 0.00 0.00 39.34 38.63 3hpj n TYR 123 CO 0.00 0.00 0.00 -1.50 0.22 0.00 0.00 176.86 175.58 3hpj s ILE 124 N -2.07 0.01 -0.05 2.97 2.07 -1.12 -2.21 121.20 120.80 3hpj s ILE 124 Ca -0.04 -0.08 -0.03 0.00 -1.41 0.00 0.00 60.65 59.10 3hpj s ILE 124 Cb 0.01 -0.30 0.03 0.00 0.13 0.00 0.00 42.46 42.33 3hpj s ILE 124 CO 0.06 -0.04 0.11 0.00 -1.91 0.00 0.00 174.94 173.16 3hpj s ALA 125 N -0.07 -0.20 0.14 1.50 0.00 -0.53 -0.56 121.76 122.04 3hpj s ALA 125 Ca -0.02 0.47 -0.31 0.00 0.00 0.00 0.00 51.96 52.10 3hpj s ALA 125 Cb -0.02 -0.31 -0.09 0.00 0.00 0.00 0.00 23.12 22.69 3hpj s ALA 125 CO 0.00 -0.11 1.57 -1.17 0.00 0.00 0.00 175.76 176.06 3hpj s LEU 126 N 0.74 4.37 0.84 0.00 2.96 -0.15 -0.87 118.68 126.56 3hpj s LEU 126 Ca -0.06 2.56 -0.12 0.00 -0.22 0.00 0.00 54.13 56.30 3hpj s LEU 126 Cb -0.08 -3.59 0.10 0.00 0.50 0.00 0.00 46.19 43.13 3hpj s LEU 126 CO -0.03 -0.83 1.17 -0.54 -1.32 0.00 0.00 176.35 174.80 3hpj s LYS 127 N 1.47 1.70 0.49 1.98 1.02 -0.09 -4.56 119.74 121.76 3hpj s LYS 127 Ca 0.70 0.15 0.25 0.00 0.02 0.00 0.00 55.97 57.09 3hpj s LYS 127 Cb -0.42 -1.92 1.28 0.00 -0.52 0.00 0.00 37.83 36.25 3hpj s LYS 127 CO 0.31 -1.79 2.01 1.49 -0.92 0.00 0.00 175.35 176.46 3hpj h GLU 128 N -1.20 0.00 0.00 1.68 4.81 -1.88 -0.45 114.58 117.54 3hpj h GLU 128 Ca -0.47 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.76 3hpj h GLU 128 Cb 1.33 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.71 3hpj h GLU 128 CO 0.64 0.16 0.00 -0.40 -0.73 0.00 0.00 179.01 178.69 3hpj n ASP 129 N -3.70 0.00 -2.19 1.04 5.68 -1.26 -4.81 116.55 111.32 3hpj n ASP 129 Ca -0.02 0.45 -0.21 0.00 -0.50 0.00 0.00 54.79 54.52 3hpj n ASP 129 Cb 0.28 -0.48 -0.03 0.00 -1.14 0.00 0.00 41.12 39.76 3hpj n ASP 129 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 3hpj n LEU 130 N -1.48 -1.85 0.00 -2.12 4.77 -0.18 -4.84 117.00 111.31 3hpj n LEU 130 Ca 0.04 0.09 0.00 0.00 -0.03 0.00 0.00 56.01 56.11 3hpj n LEU 130 Cb 0.15 -2.89 0.00 0.00 -2.33 0.00 0.00 43.42 38.36 3hpj n LEU 130 CO 0.12 -0.39 -0.07 0.54 -1.33 0.00 0.00 177.39 176.26 3hpj n ARG 131 N -2.86 3.16 -4.05 3.23 1.74 -1.26 -4.62 116.66 112.00 3hpj n ARG 131 Ca -0.24 0.00 -0.07 0.00 -0.77 0.00 0.00 57.85 56.77 3hpj n ARG 131 Cb 0.68 -0.39 -0.10 0.00 -1.02 0.00 0.00 32.46 31.64 3hpj n ARG 131 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 3hpj s SER 132 N -0.58 0.42 -0.02 0.55 1.04 -1.26 -4.95 113.70 108.90 3hpj s SER 132 Ca 0.00 -0.95 0.06 0.00 0.48 0.00 0.00 55.95 55.54 3hpj s SER 132 Cb 0.00 0.23 -0.03 0.00 0.10 0.00 0.00 66.02 66.32 3hpj s SER 132 CO 0.00 -0.63 -0.19 0.26 0.98 0.00 0.00 173.24 173.66 3hpj s TRP 133 N -3.91 2.55 -0.28 5.02 0.52 -1.26 -0.91 118.94 120.66 3hpj s TRP 133 Ca 0.07 -0.27 -0.15 0.00 0.02 0.00 0.00 56.10 55.77 3hpj s TRP 133 Cb 0.07 -1.55 -0.03 0.00 -1.15 0.00 0.00 33.47 30.81 3hpj s TRP 133 CO -0.10 0.13 0.38 0.99 0.02 0.00 0.00 176.95 178.37 3hpj s THR 134 N -0.73 5.16 -0.20 2.01 2.01 -0.05 -4.94 115.64 118.89 3hpj s THR 134 Ca 0.12 0.48 -0.03 0.00 0.31 0.00 0.00 61.69 62.57 3hpj s THR 134 Cb -0.10 -3.73 -0.01 0.00 0.01 0.00 0.00 72.50 68.66 3hpj s THR 134 CO 0.01 0.10 -0.06 0.00 -0.69 0.00 0.00 174.62 173.98 3hpj s ALA 135 N 2.09 2.79 0.00 7.40 0.00 -1.26 -1.45 121.76 131.32 3hpj s ALA 135 Ca 0.15 -1.11 0.00 0.00 0.00 0.00 0.00 51.96 51.00 3hpj s ALA 135 Cb -0.16 -1.62 0.00 0.00 0.00 0.00 0.00 23.12 21.34 3hpj s ALA 135 CO 0.10 -0.30 0.98 0.00 0.00 0.00 0.00 175.76 176.54 3hpj n ALA 136 N 4.55 -0.27 -3.00 0.00 0.00 -0.94 -4.79 120.51 116.05 3hpj n ALA 136 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.26 3hpj n ALA 136 Cb 0.51 0.21 0.00 0.00 0.00 0.00 0.00 19.45 20.17 3hpj n ALA 136 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3hpj n ASP 137 N -2.35 1.10 -0.16 0.00 5.68 -1.26 -4.97 116.55 114.59 3hpj n ASP 137 Ca 0.00 0.00 -0.10 0.00 -0.50 0.00 0.00 54.79 54.19 3hpj n ASP 137 Cb 0.00 0.00 -0.00 0.00 -1.14 0.00 0.00 41.12 39.98 3hpj n ASP 137 CO 0.00 0.00 0.00 0.24 -1.33 0.00 0.00 177.20 176.11 3hpj h MET 138 N 0.00 0.79 -0.11 0.11 2.86 -1.98 -1.28 114.93 115.31 3hpj h MET 138 Ca 0.00 -0.24 0.05 0.00 -2.06 0.00 0.00 59.70 57.44 3hpj h MET 138 Cb 0.00 -0.08 -0.06 0.00 0.06 0.00 0.00 31.60 31.53 3hpj h MET 138 CO 0.00 0.84 -0.28 0.00 1.06 0.00 0.00 176.91 178.53 3hpj h ALA 139 N 0.92 -0.31 -0.07 6.32 0.00 -1.97 -0.43 119.26 123.72 3hpj h ALA 139 Ca 0.13 0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.97 3hpj h ALA 139 Cb 0.47 0.53 -0.01 0.00 0.00 0.00 0.00 17.79 18.78 3hpj h ALA 139 CO 0.02 -0.76 -0.38 0.00 0.00 0.00 0.00 179.25 178.13 3hpj h ALA 140 N 0.50 1.24 -0.24 0.00 0.00 -1.83 -1.26 119.26 117.67 3hpj h ALA 140 Ca 0.09 -0.38 -0.06 0.00 0.00 0.00 0.00 54.91 54.57 3hpj h ALA 140 Cb 0.51 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 3hpj h ALA 140 CO -0.32 0.53 -0.10 1.96 0.00 0.00 0.00 179.25 181.33 3hpj h GLN 141 N 0.12 0.39 -0.56 0.00 4.20 -1.05 0.21 115.11 118.42 3hpj h GLN 141 Ca 0.01 -0.10 0.07 0.00 0.06 0.00 0.00 58.65 58.70 3hpj h GLN 141 Cb 0.73 -0.05 -0.06 0.00 0.30 0.00 0.00 27.48 28.41 3hpj h GLN 141 CO 0.06 0.50 0.24 1.15 -0.67 0.00 0.00 178.83 180.10 3hpj h THR 142 N 0.37 0.86 -0.08 -0.54 2.02 0.12 -1.91 112.91 113.74 3hpj h THR 142 Ca 0.07 -0.15 -0.01 0.00 0.77 0.00 0.00 66.41 67.09 3hpj h THR 142 Cb 0.41 0.37 -0.00 0.00 -1.74 0.00 0.00 68.15 67.18 3hpj h THR 142 CO 0.02 0.08 0.03 0.74 0.37 0.00 0.00 175.52 176.76 3hpj h THR 143 N 0.45 1.16 -0.73 3.16 2.02 -1.01 -2.85 112.91 115.11 3hpj h THR 143 Ca 0.27 -0.50 0.16 0.00 0.77 0.00 0.00 66.41 67.11 3hpj h THR 143 Cb 0.26 1.35 -0.11 0.00 -1.74 0.00 0.00 68.15 67.91 3hpj h THR 143 CO -0.24 0.14 0.19 0.50 0.37 0.00 0.00 175.52 176.49 3hpj h LYS 144 N -0.05 0.28 -0.60 6.66 3.64 -0.40 -0.80 116.57 125.29 3hpj h LYS 144 Ca 0.03 -0.02 -0.08 0.00 -1.27 0.00 0.00 60.65 59.31 3hpj h LYS 144 Cb 0.20 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 31.94 3hpj h LYS 144 CO -0.00 0.18 0.07 0.45 -2.27 0.00 0.00 179.45 177.88 3hpj h HIS 145 N 0.29 1.09 -0.60 1.91 3.86 -1.25 0.39 115.15 120.83 3hpj h HIS 145 Ca 0.41 -0.16 0.05 0.00 -1.16 0.00 0.00 60.37 59.50 3hpj h HIS 145 Cb 0.69 -0.29 -0.05 0.00 1.06 0.00 0.00 27.41 28.82 3hpj h HIS 145 CO -0.25 0.95 0.34 0.87 0.86 0.00 0.00 177.93 180.70 3hpj h LYS 146 N 0.92 0.63 0.00 2.45 1.57 -1.07 -2.66 116.57 118.42 3hpj h LYS 146 Ca 0.18 -0.04 -0.14 0.00 -1.87 0.00 0.00 60.65 58.78 3hpj h LYS 146 Cb 0.46 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.61 3hpj h LYS 146 CO 0.02 0.42 -0.67 -1.49 -0.57 0.00 0.00 179.45 177.15 3hpj h TRP 147 N 0.65 0.00 -0.33 -1.35 4.06 -0.51 -1.30 115.95 117.17 3hpj h TRP 147 Ca 0.26 0.00 -0.17 0.00 2.06 0.00 0.00 58.89 61.04 3hpj h TRP 147 Cb 0.12 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 28.28 3hpj h TRP 147 CO -0.08 0.67 -0.47 0.93 -3.56 0.00 0.00 178.44 175.93 3hpj h GLU 148 N 0.00 0.90 0.00 0.49 5.08 -0.88 0.37 114.58 120.54 3hpj h GLU 148 Ca -0.01 -0.53 -0.12 0.00 -1.00 0.00 0.00 59.36 57.71 3hpj h GLU 148 Cb 1.26 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 30.54 3hpj h GLU 148 CO 0.09 1.17 -0.55 0.00 -1.00 0.00 0.00 179.01 178.72 3hpj h ALA 149 N 0.72 0.78 -0.07 3.43 0.00 -1.33 -2.83 119.26 119.97 3hpj h ALA 149 Ca 0.03 -0.50 0.00 0.00 0.00 0.00 0.00 54.91 54.44 3hpj h ALA 149 Cb 1.07 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.77 3hpj h ALA 149 CO 0.11 0.69 0.00 0.00 0.00 0.00 0.00 179.25 180.05 3hpj n ALA 150 N -2.30 2.56 -3.74 0.00 0.00 -0.50 -4.95 120.51 111.58 3hpj n ALA 150 Ca 0.00 -0.46 -0.24 0.00 0.00 0.00 0.00 53.44 52.74 3hpj n ALA 150 Cb 0.66 -1.15 0.04 0.00 0.00 0.00 0.00 19.45 19.01 3hpj n ALA 150 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 3hpj n HIS 151 N 0.19 -2.15 -0.04 0.00 -0.00 -0.59 -4.91 115.22 107.72 3hpj n HIS 151 Ca 0.18 0.89 -0.10 0.00 -0.00 0.00 0.00 57.72 58.68 3hpj n HIS 151 Cb 0.34 -4.38 0.04 0.00 -0.00 0.00 0.00 29.99 25.99 3hpj n HIS 151 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.34 176.62 3hpj h VAL 152 N -2.02 1.30 -0.98 1.59 2.07 -1.24 -2.89 116.25 114.08 3hpj h VAL 152 Ca -0.60 -1.65 0.10 0.00 0.82 0.00 0.00 66.70 65.37 3hpj h VAL 152 Cb 1.36 1.58 -0.08 0.00 -1.52 0.00 0.00 31.29 32.64 3hpj h VAL 152 CO 0.59 0.53 0.61 0.00 0.02 0.00 0.00 177.57 179.32 3hpj h ALA 153 N 0.93 1.43 -0.07 1.67 0.00 -1.90 -1.42 119.26 119.90 3hpj h ALA 153 Ca 0.03 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 3hpj h ALA 153 Cb 1.01 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.57 3hpj h ALA 153 CO 0.10 0.27 0.04 1.49 0.00 0.00 0.00 179.25 181.14 3hpj h GLU 154 N 1.02 0.09 -0.55 0.00 4.81 -1.78 0.14 114.58 118.31 3hpj h GLU 154 Ca 0.46 -0.01 -0.08 0.00 -0.13 0.00 0.00 59.36 59.60 3hpj h GLU 154 Cb 0.38 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.71 3hpj h GLU 154 CO -0.24 0.15 0.03 1.96 -0.73 0.00 0.00 179.01 180.18 3hpj h GLN 155 N 0.02 0.92 -0.38 1.92 4.20 -1.43 -2.51 115.11 117.84 3hpj h GLN 155 Ca 0.02 -0.25 -0.08 0.00 0.06 0.00 0.00 58.65 58.40 3hpj h GLN 155 Cb 0.08 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 27.74 3hpj h GLN 155 CO -0.00 0.89 -0.07 -0.07 -0.67 0.00 0.00 178.83 178.91 3hpj h LEU 156 N 0.86 0.72 -0.74 1.46 4.07 -1.10 -2.22 115.31 118.35 3hpj h LEU 156 Ca 0.17 -0.35 0.03 0.00 0.08 0.00 0.00 57.88 57.80 3hpj h LEU 156 Cb 0.46 -0.20 -0.04 0.00 1.08 0.00 0.00 40.66 41.96 3hpj h LEU 156 CO 0.02 0.90 0.47 -0.09 -1.08 0.00 0.00 178.44 178.67 3hpj h ARG 157 N 0.53 0.91 -0.39 1.13 2.43 -0.58 -0.08 114.38 118.32 3hpj h ARG 157 Ca 0.10 -0.05 -0.01 0.00 -0.81 0.00 0.00 59.98 59.21 3hpj h ARG 157 Cb 0.57 -0.20 -0.02 0.00 -0.42 0.00 0.00 29.97 29.90 3hpj h ARG 157 CO 0.03 0.60 0.22 0.00 -1.51 0.00 0.00 179.97 179.31 3hpj h ALA 158 N 1.31 0.50 -0.04 2.80 0.00 -1.38 -2.06 119.26 120.38 3hpj h ALA 158 Ca 0.29 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 55.13 3hpj h ALA 158 Cb -0.01 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.63 3hpj h ALA 158 CO -0.10 0.01 0.02 -0.92 0.00 0.00 0.00 179.25 178.26 3hpj h TYR 159 N 0.50 0.06 -0.03 0.00 3.20 -0.98 -2.01 116.97 117.72 3hpj h TYR 159 Ca 0.14 -0.00 -0.09 0.00 3.14 0.00 0.00 58.73 61.92 3hpj h TYR 159 Cb 0.04 -0.02 -0.01 0.00 1.54 0.00 0.00 36.73 38.28 3hpj h TYR 159 CO -0.03 0.17 -0.38 -0.07 -1.64 0.00 0.00 178.16 176.21 3hpj h LEU 160 N -0.06 0.07 0.00 2.82 3.38 -0.93 0.17 115.31 120.76 3hpj h LEU 160 Ca 0.02 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.96 3hpj h LEU 160 Cb 0.13 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.86 3hpj h LEU 160 CO -0.00 0.45 -1.01 -0.62 0.09 0.00 0.00 178.44 177.34 3hpj n GLU 161 N -4.07 0.18 0.00 1.13 1.02 -0.78 -4.16 120.64 113.96 3hpj n GLU 161 Ca -0.02 -0.02 0.00 0.00 -0.02 0.00 0.00 57.16 57.11 3hpj n GLU 161 Cb 0.43 -1.54 0.00 0.00 -0.02 0.00 0.00 31.44 30.31 3hpj n GLU 161 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3hpj n GLY 162 N 1.42 0.67 0.33 0.62 0.00 -0.76 -4.77 105.19 102.70 3hpj n GLY 162 Ca 0.03 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.99 3hpj n GLY 162 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3hpj h THR 163 N 0.00 0.21 -0.16 2.61 2.02 -1.60 0.13 112.91 116.12 3hpj h THR 163 Ca 0.00 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.23 3hpj h THR 163 Cb 0.00 0.21 -0.06 0.00 -1.74 0.00 0.00 68.15 66.55 3hpj h THR 163 CO 0.00 0.00 -0.29 0.00 0.37 0.00 0.00 175.52 175.60 3hpj h VAL 165 N -0.35 1.17 -0.56 0.00 2.07 -1.61 0.13 116.25 117.11 3hpj h VAL 165 Ca 0.11 -0.32 -0.00 0.00 0.82 0.00 0.00 66.70 67.30 3hpj h VAL 165 Cb 0.51 0.25 -0.03 0.00 -1.52 0.00 0.00 31.29 30.50 3hpj h VAL 165 CO -0.35 0.17 0.34 -0.33 0.02 0.00 0.00 177.57 177.41 3hpj h GLU 166 N 0.86 0.76 -0.08 1.57 5.08 -0.19 -0.74 114.58 121.85 3hpj h GLU 166 Ca 0.23 -0.07 -0.19 0.00 -1.00 0.00 0.00 59.36 58.33 3hpj h GLU 166 Cb -0.08 -0.16 -0.00 0.00 0.50 0.00 0.00 28.75 29.01 3hpj h GLU 166 CO -0.05 0.55 -0.76 -1.49 -1.00 0.00 0.00 179.01 176.26 3hpj h TRP 167 N 0.75 0.62 -0.24 4.33 4.06 -0.47 -2.21 115.95 122.79 3hpj h TRP 167 Ca 0.20 -0.28 0.04 0.00 2.06 0.00 0.00 58.89 60.91 3hpj h TRP 167 Cb -0.02 -0.09 -0.04 0.00 -1.00 0.00 0.00 29.16 28.01 3hpj h TRP 167 CO -0.02 1.05 0.01 1.25 -3.56 0.00 0.00 178.44 177.17 3hpj h LEU 168 N 0.30 -0.07 -0.65 -4.49 5.85 -0.49 -1.48 115.31 114.29 3hpj h LEU 168 Ca -0.04 0.05 0.02 0.00 0.84 0.00 0.00 57.88 58.75 3hpj h LEU 168 Cb 1.35 0.09 -0.04 0.00 0.37 0.00 0.00 40.66 42.43 3hpj h LEU 168 CO 0.13 -0.00 0.41 0.03 -0.34 0.00 0.00 178.44 178.67 3hpj h ARG 169 N 0.09 0.79 -0.51 1.25 3.08 -1.04 0.16 114.38 118.19 3hpj h ARG 169 Ca 0.11 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.12 3hpj h ARG 169 Cb 0.14 -0.18 -0.02 0.00 0.08 0.00 0.00 29.97 29.99 3hpj h ARG 169 CO -0.18 0.52 0.33 -0.09 -1.07 0.00 0.00 179.97 179.48 3hpj h ARG 170 N 0.81 0.68 -0.51 0.04 2.43 -0.94 -0.70 114.38 116.18 3hpj h ARG 170 Ca 0.25 -0.05 -0.02 0.00 -0.81 0.00 0.00 59.98 59.35 3hpj h ARG 170 Cb -0.01 -0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 29.37 3hpj h ARG 170 CO -0.09 0.46 0.22 1.88 -1.51 0.00 0.00 179.97 180.93 3hpj h TYR 171 N 0.69 0.76 -0.33 2.20 0.05 -0.92 0.43 116.97 119.84 3hpj h TYR 171 Ca 0.19 -0.05 0.05 0.00 0.05 0.00 0.00 58.73 58.97 3hpj h TYR 171 Cb -0.06 -0.23 -0.05 0.00 1.01 0.00 0.00 36.73 37.40 3hpj h TYR 171 CO -0.04 0.62 0.05 -0.07 -1.05 0.00 0.00 178.16 177.67 3hpj h LEU 172 N 0.68 -0.02 0.42 3.88 3.38 -0.62 0.44 115.31 123.46 3hpj h LEU 172 Ca 0.17 0.06 -0.02 0.00 0.09 0.00 0.00 57.88 58.18 3hpj h LEU 172 Cb 0.16 0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.01 3hpj h LEU 172 CO -0.02 0.02 -0.20 -0.33 0.09 0.00 0.00 178.44 178.00 3hpj h GLU 173 N 0.16 -0.55 -0.71 1.13 5.08 -0.79 -2.72 114.58 116.18 3hpj h GLU 173 Ca 0.16 0.04 0.02 0.00 -1.00 0.00 0.00 59.36 58.57 3hpj h GLU 173 Cb 0.19 0.12 -0.04 0.00 0.50 0.00 0.00 28.75 29.52 3hpj h GLU 173 CO -0.22 -0.26 0.47 -0.91 -1.00 0.00 0.00 179.01 177.09 3hpj h ASN 174 N -0.79 0.79 -0.85 1.42 -0.26 0.01 -2.72 115.58 113.19 3hpj h ASN 174 Ca -0.06 -0.02 -0.54 0.00 -0.56 0.00 0.00 56.30 55.12 3hpj h ASN 174 Cb 0.54 -0.19 -0.29 0.00 -1.06 0.00 0.00 38.32 37.31 3hpj h ASN 174 CO 0.10 0.57 0.38 0.61 -1.06 0.00 0.00 177.43 178.02 3hpj n GLY 175 N -1.43 5.51 0.28 2.83 0.00 0.15 -4.82 105.19 107.72 3hpj n GLY 175 Ca 0.08 -1.93 0.07 0.00 0.00 0.00 0.00 46.02 44.24 3hpj n GLY 175 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3hpj h LYS 176 N 1.65 0.15 -0.19 1.61 3.64 -1.15 0.46 116.57 122.74 3hpj h LYS 176 Ca 0.51 -0.01 -0.09 0.00 -1.27 0.00 0.00 60.65 59.79 3hpj h LYS 176 Cb 1.52 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 33.30 3hpj h LYS 176 CO 1.15 0.10 -0.28 1.49 -2.27 0.00 0.00 179.45 179.64 3hpj h GLU 177 N 0.15 0.36 0.00 1.90 4.81 -1.88 -1.08 114.58 118.84 3hpj h GLU 177 Ca 0.44 -0.13 -0.10 0.00 -0.13 0.00 0.00 59.36 59.44 3hpj h GLU 177 Cb 0.80 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.14 3hpj h GLU 177 CO -0.63 0.61 -0.63 1.15 -0.73 0.00 0.00 179.01 178.77 3hpj h THR 178 N 0.32 0.86 0.00 0.32 2.02 -1.79 -3.40 112.91 111.24 3hpj h THR 178 Ca 0.05 -1.86 -0.23 0.00 0.77 0.00 0.00 66.41 65.14 3hpj h THR 178 Cb 0.65 1.84 -0.04 0.00 -1.74 0.00 0.00 68.15 68.87 3hpj h THR 178 CO 0.05 0.29 -1.29 -0.07 0.37 0.00 0.00 175.52 174.87 3hpj h LEU 179 N -1.00 0.00 -3.07 2.58 3.38 -0.10 -3.30 115.31 113.80 3hpj h LEU 179 Ca -0.15 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.82 3hpj h LEU 179 Cb 0.91 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.66 3hpj h LEU 179 CO -0.09 0.90 0.00 0.00 0.09 0.00 0.00 178.44 179.34 3hpj n GLN 180 N -3.16 3.60 -2.80 1.13 6.02 -0.41 -4.93 117.38 116.83 3hpj n GLN 180 Ca -0.08 -2.88 -0.28 0.00 -0.01 0.00 0.00 57.00 53.75 3hpj n GLN 180 Cb 0.95 -1.85 -0.01 0.00 1.02 0.00 0.00 30.24 30.35 3hpj n GLN 180 CO 0.00 0.00 0.00 -0.98 -1.01 0.00 0.00 177.06 175.07 3hpj s ARG 181 N -1.70 3.62 -0.15 -1.09 1.70 -1.25 -5.01 118.95 115.07 3hpj s ARG 181 Ca 0.52 0.24 -0.01 0.00 -0.47 0.00 0.00 55.73 56.02 3hpj s ARG 181 Cb 0.32 -2.42 0.04 0.00 -0.57 0.00 0.00 34.95 32.32 3hpj s ARG 181 CO 0.27 -0.10 -0.06 0.99 -1.08 0.00 0.00 175.30 175.32 3hpj s THR 182 N -2.55 1.08 -0.39 4.99 2.01 -1.26 -4.69 115.64 114.83 3hpj s THR 182 Ca 0.48 -0.54 -0.09 0.00 0.31 0.00 0.00 61.69 61.84 3hpj s THR 182 Cb -0.10 -1.22 0.06 0.00 0.01 0.00 0.00 72.50 71.24 3hpj s THR 182 CO 0.39 0.18 0.21 -1.81 -0.69 0.00 0.00 174.62 172.90 3hpj s ASP 183 N 1.66 5.60 0.34 3.53 1.01 0.72 -4.89 116.67 124.62 3hpj s ASP 183 Ca 0.02 -1.29 -0.29 0.00 0.71 0.00 0.00 52.55 51.70 3hpj s ASP 183 Cb -0.15 -1.97 -0.12 0.00 1.01 0.00 0.00 42.92 41.69 3hpj s ASP 183 CO -0.08 -0.45 1.41 0.00 0.21 0.00 0.00 175.17 176.26 3hpj n ALA 184 N 4.91 1.79 -1.77 5.23 0.00 -1.26 -1.54 120.51 127.88 3hpj n ALA 184 Ca -0.11 0.36 -0.41 0.00 0.00 0.00 0.00 53.44 53.28 3hpj n ALA 184 Cb 0.44 -2.34 -0.00 0.00 0.00 0.00 0.00 19.45 17.55 3hpj n ALA 184 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 3hpj n PRO 185 N 0.87 2.66 -3.15 0.00 -0.04 -1.26 -4.59 135.00 129.49 3hpj n PRO 185 Ca 0.05 0.93 -0.39 0.00 -0.04 0.00 0.00 63.50 64.05 3hpj n PRO 185 Cb 0.37 -2.67 -0.05 0.00 -0.04 0.00 0.00 33.50 31.11 3hpj n PRO 185 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 3hpj s LYS 186 N -1.88 4.39 0.11 0.54 1.02 0.45 -4.83 119.74 119.54 3hpj s LYS 186 Ca 0.55 0.71 0.10 0.00 0.02 0.00 0.00 55.97 57.35 3hpj s LYS 186 Cb -0.48 -3.45 -0.04 0.00 -0.52 0.00 0.00 37.83 33.34 3hpj s LYS 186 CO 0.62 0.09 -0.25 0.95 -0.92 0.00 0.00 175.35 175.84 3hpj s THR 187 N 0.77 2.04 0.34 2.17 -4.23 -1.26 -0.31 115.64 115.16 3hpj s THR 187 Ca 0.33 -1.65 -0.14 0.00 -1.18 0.00 0.00 61.69 59.04 3hpj s THR 187 Cb -0.17 -1.82 0.03 0.00 1.34 0.00 0.00 72.50 71.88 3hpj s THR 187 CO 0.15 0.05 0.68 -1.38 -0.54 0.00 0.00 174.62 173.57 3hpj s HIS 188 N -1.08 0.25 -0.00 3.99 -3.43 -1.14 -5.01 115.29 108.86 3hpj s HIS 188 Ca 0.11 -0.75 0.02 0.00 -0.80 0.00 0.00 55.06 53.63 3hpj s HIS 188 Cb -0.10 0.56 -0.00 0.00 -1.43 0.00 0.00 32.58 31.61 3hpj s HIS 188 CO 0.05 -1.34 -0.06 1.41 -2.00 0.00 0.00 174.74 172.80 3hpj s MET 189 N -3.04 0.48 0.23 -0.38 1.75 -1.26 -0.83 119.30 116.25 3hpj s MET 189 Ca 0.18 -0.22 0.11 0.00 -1.25 0.00 0.00 55.69 54.51 3hpj s MET 189 Cb -0.04 -0.46 -0.05 0.00 2.84 0.00 0.00 34.83 37.12 3hpj s MET 189 CO 0.12 0.13 -0.22 0.95 -0.65 0.00 0.00 175.02 175.34 3hpj s THR 190 N -0.16 2.36 -0.06 10.11 -4.23 -0.50 -4.97 115.64 118.19 3hpj s THR 190 Ca 0.02 -2.18 -0.01 0.00 -1.18 0.00 0.00 61.69 58.35 3hpj s THR 190 Cb -0.02 -2.17 0.03 0.00 1.34 0.00 0.00 72.50 71.67 3hpj s THR 190 CO -0.00 -0.25 0.00 -2.28 -0.54 0.00 0.00 174.62 171.55 3hpj s HIS 191 N -2.04 0.55 -0.04 3.99 2.46 -1.26 -1.22 115.29 117.73 3hpj s HIS 191 Ca 0.24 -0.10 0.01 0.00 0.47 0.00 0.00 55.06 55.68 3hpj s HIS 191 Cb -0.07 -0.67 0.02 0.00 -0.13 0.00 0.00 32.58 31.74 3hpj s HIS 191 CO 0.12 -0.25 -0.03 -1.01 -2.47 0.00 0.00 174.74 171.09 3hpj s HIS 192 N 1.65 0.60 -0.04 3.88 3.76 -0.40 -4.99 115.29 119.75 3hpj s HIS 192 Ca -0.00 -0.14 -0.30 0.00 -0.15 0.00 0.00 55.06 54.47 3hpj s HIS 192 Cb -0.13 -0.58 -0.05 0.00 1.11 0.00 0.00 32.58 32.93 3hpj s HIS 192 CO -0.03 -0.17 1.57 0.00 -0.85 0.00 0.00 174.74 175.25 3hpj s ALA 193 N 0.98 3.63 -0.18 -1.40 0.00 -1.26 -1.23 121.76 122.29 3hpj s ALA 193 Ca -0.10 0.91 0.20 0.00 0.00 0.00 0.00 51.96 52.97 3hpj s ALA 193 Cb -0.14 -3.70 -0.08 0.00 0.00 0.00 0.00 23.12 19.20 3hpj s ALA 193 CO -0.01 -1.26 0.91 1.33 0.00 0.00 0.00 175.76 176.74 3hpj n VAL 194 N 5.24 0.81 -3.37 0.00 0.24 -0.37 -4.93 118.33 115.96 3hpj n VAL 194 Ca 0.16 -0.61 0.00 0.00 -2.04 0.00 0.00 64.34 61.86 3hpj n VAL 194 Cb 0.43 -0.47 0.00 0.00 -1.47 0.00 0.00 33.84 32.33 3hpj n VAL 194 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 3hpj n SER 195 N -2.73 0.00 0.16 -1.34 3.41 -1.06 -4.98 113.62 107.07 3hpj n SER 195 Ca -0.04 -0.98 0.13 0.00 -0.26 0.00 0.00 58.87 57.72 3hpj n SER 195 Cb 0.67 0.00 0.42 0.00 -0.26 0.00 0.00 64.21 65.04 3hpj n SER 195 CO 0.00 0.00 0.00 -2.24 -0.16 0.00 0.00 175.04 172.64 3hpj h ASP 196 N 0.00 0.00 -0.01 4.04 2.03 -2.03 -3.32 116.42 117.12 3hpj h ASP 196 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 3hpj h ASP 196 Cb 0.00 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.50 3hpj h ASP 196 CO 0.00 0.00 -0.00 0.00 -1.03 0.00 0.00 179.24 178.21 3hpj n HIS 197 N -2.54 0.00 -3.89 4.15 1.44 -1.26 -4.87 115.22 108.25 3hpj n HIS 197 Ca 0.04 0.00 -0.11 0.00 -2.01 0.00 0.00 57.72 55.64 3hpj n HIS 197 Cb 0.38 0.00 -0.10 0.00 0.12 0.00 0.00 29.99 30.39 3hpj n HIS 197 CO 0.00 0.00 0.00 -1.21 -2.81 0.00 0.00 176.34 172.32 3hpj s GLU 198 N -0.64 0.46 0.02 -1.40 2.02 -1.25 -0.92 118.70 116.99 3hpj s GLU 198 Ca 0.09 -0.46 -0.05 0.00 0.02 0.00 0.00 54.97 54.58 3hpj s GLU 198 Cb 0.06 0.19 -0.01 0.00 0.10 0.00 0.00 34.13 34.47 3hpj s GLU 198 CO 0.10 -0.11 0.07 0.00 0.02 0.00 0.00 175.26 175.34 3hpj s ALA 199 N -1.47 -0.10 -0.14 5.21 0.00 0.30 -1.23 121.76 124.33 3hpj s ALA 199 Ca -0.15 -0.43 -0.19 0.00 0.00 0.00 0.00 51.96 51.19 3hpj s ALA 199 Cb -0.08 0.17 -0.04 0.00 0.00 0.00 0.00 23.12 23.18 3hpj s ALA 199 CO 0.01 -0.24 0.54 0.99 0.00 0.00 0.00 175.76 177.06 3hpj s THR 200 N -1.89 5.13 -0.18 0.00 2.01 -0.36 0.14 115.64 120.49 3hpj s THR 200 Ca -0.11 1.05 -0.06 0.00 0.31 0.00 0.00 61.69 62.88 3hpj s THR 200 Cb -0.06 -3.87 -0.04 0.00 0.01 0.00 0.00 72.50 68.55 3hpj s THR 200 CO -0.01 0.25 0.03 -0.76 -0.69 0.00 0.00 174.62 173.43 3hpj s LEU 201 N 1.08 3.62 -0.11 4.42 1.43 -0.28 -1.27 118.68 127.56 3hpj s LEU 201 Ca 0.27 0.00 0.00 0.00 -1.03 0.00 0.00 54.13 53.38 3hpj s LEU 201 Cb -0.16 -1.90 0.02 0.00 0.03 0.00 0.00 46.19 44.18 3hpj s LEU 201 CO 0.11 0.17 -0.09 -0.60 0.23 0.00 0.00 176.35 176.16 3hpj s ARG 202 N 0.41 1.66 -0.23 1.70 3.52 -0.35 -1.09 118.95 124.57 3hpj s ARG 202 Ca 0.01 -0.32 -0.10 0.00 -0.13 0.00 0.00 55.73 55.19 3hpj s ARG 202 Cb -0.13 -1.63 -0.05 0.00 -1.56 0.00 0.00 34.95 31.59 3hpj s ARG 202 CO 0.01 -0.21 0.14 0.00 -0.81 0.00 0.00 175.30 174.43 3hpj s TRP 204 N 0.85 2.95 -0.15 0.00 0.52 -0.01 -1.79 118.94 121.31 3hpj s TRP 204 Ca 0.07 0.03 0.01 0.00 0.02 0.00 0.00 56.10 56.24 3hpj s TRP 204 Cb -0.13 -1.71 0.02 0.00 -1.15 0.00 0.00 33.47 30.50 3hpj s TRP 204 CO 0.03 0.34 -0.18 0.00 0.02 0.00 0.00 176.95 177.16 3hpj s ALA 205 N -0.82 2.10 0.18 0.98 0.00 0.35 -2.91 121.76 121.64 3hpj s ALA 205 Ca 0.13 -1.04 0.08 0.00 0.00 0.00 0.00 51.96 51.13 3hpj s ALA 205 Cb -0.11 -1.05 -0.04 0.00 0.00 0.00 0.00 23.12 21.92 3hpj s ALA 205 CO 0.02 -0.23 -0.17 -0.51 0.00 0.00 0.00 175.76 174.86 3hpj s LEU 206 N 1.17 2.47 -1.50 0.00 1.43 0.58 -1.31 118.68 121.52 3hpj s LEU 206 Ca 0.00 -0.91 -0.08 0.00 -1.03 0.00 0.00 54.13 52.12 3hpj s LEU 206 Cb -0.14 -0.79 0.06 0.00 0.03 0.00 0.00 46.19 45.35 3hpj s LEU 206 CO -0.08 -0.07 0.66 -1.54 0.23 0.00 0.00 176.35 175.56 3hpj n SER 207 N 0.10 -2.11 -4.78 2.29 3.41 -0.87 -0.41 113.62 111.24 3hpj n SER 207 Ca -0.12 -0.94 -0.24 0.00 -0.26 0.00 0.00 58.87 57.31 3hpj n SER 207 Cb 0.58 -3.26 -0.05 0.00 -0.26 0.00 0.00 64.21 61.22 3hpj n SER 207 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 175.04 175.60 3hpj s PHE 208 N -3.61 3.07 -0.22 7.33 -0.12 -1.01 -4.68 117.98 118.73 3hpj s PHE 208 Ca 0.33 -0.09 -0.15 0.00 -0.05 0.00 0.00 56.93 56.98 3hpj s PHE 208 Cb -0.18 -1.43 0.06 0.00 -0.63 0.00 0.00 43.02 40.85 3hpj s PHE 208 CO 0.88 0.53 0.56 -0.47 -0.05 0.00 0.00 175.22 176.66 3hpj s TYR 209 N -1.96 -0.77 0.34 3.49 5.04 -0.59 -1.19 117.35 121.71 3hpj s TYR 209 Ca 0.31 1.66 -0.06 0.00 -2.44 0.00 0.00 57.07 56.54 3hpj s TYR 209 Cb -0.09 0.38 0.08 0.00 0.35 0.00 0.00 41.96 42.68 3hpj s TYR 209 CO 0.23 -0.39 0.42 -0.35 -1.34 0.00 0.00 175.55 174.12 3hpj n PRO 210 N 3.81 -0.78 0.12 4.97 -0.04 -1.26 -0.20 135.00 141.61 3hpj n PRO 210 Ca -0.19 -0.65 -0.03 0.00 -0.04 0.00 0.00 63.50 62.60 3hpj n PRO 210 Cb 0.57 -0.47 0.15 0.00 -0.04 0.00 0.00 33.50 33.70 3hpj n PRO 210 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3hpj h ALA 211 N -2.02 0.92 -2.29 0.55 0.00 -1.97 -3.45 119.26 111.01 3hpj h ALA 211 Ca -0.14 -0.57 -0.58 0.00 0.00 0.00 0.00 54.91 53.62 3hpj h ALA 211 Cb 0.40 -0.10 0.05 0.00 0.00 0.00 0.00 17.79 18.14 3hpj h ALA 211 CO 0.10 0.78 0.91 -1.91 0.00 0.00 0.00 179.25 179.13 3hpj n GLU 212 N -3.80 2.29 -3.49 0.00 4.07 -1.26 -4.99 120.64 113.46 3hpj n GLU 212 Ca -0.01 0.83 -0.15 0.00 -0.06 0.00 0.00 57.16 57.76 3hpj n GLU 212 Cb 0.63 -2.63 -0.04 0.00 -0.06 0.00 0.00 31.44 29.33 3hpj n GLU 212 CO 0.00 0.00 0.00 -1.50 -0.06 0.00 0.00 177.13 175.57 3hpj s ILE 213 N 1.74 0.00 -0.08 6.31 2.07 -1.26 -4.65 121.20 125.34 3hpj s ILE 213 Ca 0.81 0.00 0.02 0.00 -1.41 0.00 0.00 60.65 60.07 3hpj s ILE 213 Cb -0.64 -1.00 0.01 0.00 0.13 0.00 0.00 42.46 40.96 3hpj s ILE 213 CO 0.40 0.00 -0.13 -0.89 -1.91 0.00 0.00 174.94 172.41 3hpj s THR 214 N -2.13 1.21 -0.12 4.00 2.01 -0.36 -5.00 115.64 115.25 3hpj s THR 214 Ca -0.06 -0.51 -0.00 0.00 0.31 0.00 0.00 61.69 61.44 3hpj s THR 214 Cb -0.00 -1.11 0.02 0.00 0.01 0.00 0.00 72.50 71.42 3hpj s THR 214 CO 0.01 0.38 -0.10 -0.22 -0.69 0.00 0.00 174.62 173.99 3hpj s LEU 215 N 0.76 1.37 0.03 4.42 2.96 -1.26 -0.58 118.68 126.39 3hpj s LEU 215 Ca -0.12 -0.37 -0.00 0.00 -0.22 0.00 0.00 54.13 53.41 3hpj s LEU 215 Cb -0.16 -0.96 -0.03 0.00 0.50 0.00 0.00 46.19 45.55 3hpj s LEU 215 CO 0.03 -0.09 -0.03 0.42 -1.32 0.00 0.00 176.35 175.36 3hpj s THR 216 N 1.60 0.14 -0.11 3.68 -4.23 -0.63 -4.95 115.64 111.14 3hpj s THR 216 Ca 0.04 -1.15 -0.04 0.00 -1.18 0.00 0.00 61.69 59.36 3hpj s THR 216 Cb -0.13 -0.61 -0.04 0.00 1.34 0.00 0.00 72.50 73.07 3hpj s THR 216 CO -0.09 -0.64 0.05 0.26 -0.54 0.00 0.00 174.62 173.66 3hpj s TRP 217 N -2.14 3.29 0.17 3.99 0.52 -1.26 -0.27 118.94 123.25 3hpj s TRP 217 Ca -0.10 0.25 0.11 0.00 0.02 0.00 0.00 56.10 56.39 3hpj s TRP 217 Cb -0.05 -1.88 -0.04 0.00 -1.15 0.00 0.00 33.47 30.35 3hpj s TRP 217 CO -0.03 0.48 -0.23 -0.65 0.02 0.00 0.00 176.95 176.54 3hpj s GLN 218 N -0.71 1.58 -0.18 4.98 -0.21 0.85 -1.74 119.66 124.22 3hpj s GLN 218 Ca 0.12 -1.44 0.01 0.00 0.02 0.00 0.00 55.36 54.06 3hpj s GLN 218 Cb -0.12 -1.91 0.03 0.00 1.00 0.00 0.00 33.01 32.01 3hpj s GLN 218 CO 0.02 0.42 -0.14 0.50 -2.12 0.00 0.00 175.29 173.97 3hpj s ARG 219 N -2.54 2.34 -1.54 2.91 3.52 -0.09 -0.70 118.95 122.85 3hpj s ARG 219 Ca 0.20 -0.76 -0.16 0.00 -0.13 0.00 0.00 55.73 54.88 3hpj s ARG 219 Cb -0.09 -2.35 0.14 0.00 -1.56 0.00 0.00 34.95 31.09 3hpj s ARG 219 CO 0.10 -0.32 0.68 -0.25 -0.81 0.00 0.00 175.30 174.70 3hpj n ASP 220 N 4.69 -3.28 0.00 -2.12 8.00 0.15 -1.88 116.55 122.12 3hpj n ASP 220 Ca -0.17 -0.80 0.00 0.00 0.71 0.00 0.00 54.79 54.53 3hpj n ASP 220 Cb 0.48 -2.70 0.00 0.00 -0.02 0.00 0.00 41.12 38.88 3hpj n ASP 220 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3hpj n GLY 221 N -1.28 1.21 3.79 0.44 0.00 -1.26 -5.03 105.19 103.06 3hpj n GLY 221 Ca 0.06 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.72 3hpj n GLY 221 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3hpj s GLU 222 N -0.04 3.41 0.23 1.61 -1.05 -0.79 -5.01 118.70 117.06 3hpj s GLU 222 Ca 0.00 -0.23 -0.30 0.00 -0.15 0.00 0.00 54.97 54.29 3hpj s GLU 222 Cb 0.00 -3.10 -0.09 0.00 -0.44 0.00 0.00 34.13 30.50 3hpj s GLU 222 CO 0.00 0.68 1.26 -0.51 0.95 0.00 0.00 175.26 177.64 3hpj s ASP 223 N -0.77 6.96 -0.68 0.83 1.11 -1.26 -0.91 116.67 121.95 3hpj s ASP 223 Ca 0.13 2.40 -0.01 0.00 0.18 0.00 0.00 52.55 55.25 3hpj s ASP 223 Cb -0.12 -2.62 0.41 0.00 1.07 0.00 0.00 42.92 41.67 3hpj s ASP 223 CO 0.03 -0.45 1.87 0.00 1.18 0.00 0.00 175.17 177.80 3hpj n GLN 224 N 2.11 2.87 -0.08 8.23 1.13 -0.71 -4.82 117.38 126.11 3hpj n GLN 224 Ca 0.04 -3.57 -0.06 0.00 -1.94 0.00 0.00 57.00 51.47 3hpj n GLN 224 Cb 0.43 -2.28 -0.00 0.00 0.11 0.00 0.00 30.24 28.50 3hpj n GLN 224 CO 0.00 0.00 0.00 1.15 -1.44 0.00 0.00 177.06 176.77 3hpj h THR 225 N 1.63 0.59 0.00 5.09 2.02 -1.92 -0.87 112.91 119.44 3hpj h THR 225 Ca 0.54 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.72 3hpj h THR 225 Cb 0.60 0.59 -0.00 0.00 -1.74 0.00 0.00 68.15 67.59 3hpj h THR 225 CO 1.39 0.00 -0.01 1.56 0.37 0.00 0.00 175.52 178.84 3hpj h GLN 226 N -0.07 0.00 -0.25 6.66 1.08 -2.00 -3.14 115.11 117.39 3hpj h GLN 226 Ca 0.16 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.36 3hpj h GLN 226 Cb 0.31 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.74 3hpj h GLN 226 CO -0.36 0.01 0.00 -0.25 -0.95 0.00 0.00 178.83 177.28 3hpj n ASP 227 N -3.10 2.85 -4.67 1.46 8.00 -0.41 -4.96 116.55 115.71 3hpj n ASP 227 Ca -0.00 -2.19 -0.35 0.00 0.71 0.00 0.00 54.79 52.96 3hpj n ASP 227 Cb 0.26 -0.24 -0.09 0.00 -0.02 0.00 0.00 41.12 41.03 3hpj n ASP 227 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3hpj s THR 228 N -1.33 4.86 -0.34 -3.53 2.01 -0.72 -4.56 115.64 112.02 3hpj s THR 228 Ca 0.21 -0.02 -0.24 0.00 0.31 0.00 0.00 61.69 61.96 3hpj s THR 228 Cb 0.13 -3.17 0.01 0.00 0.01 0.00 0.00 72.50 69.48 3hpj s THR 228 CO 0.11 0.49 0.83 -0.70 -0.69 0.00 0.00 174.62 174.66 3hpj s GLU 229 N 0.07 3.87 -0.16 4.92 2.12 0.02 -4.93 118.70 124.61 3hpj s GLU 229 Ca 0.06 0.51 0.01 0.00 0.36 0.00 0.00 54.97 55.91 3hpj s GLU 229 Cb -0.12 -3.77 0.01 0.00 0.26 0.00 0.00 34.13 30.51 3hpj s GLU 229 CO 0.01 -0.81 -0.20 -1.17 -0.54 0.00 0.00 175.26 172.55 3hpj s LEU 230 N 3.15 2.21 0.33 2.70 2.96 -1.26 -0.46 118.68 128.30 3hpj s LEU 230 Ca 0.34 -0.59 -0.09 0.00 -0.22 0.00 0.00 54.13 53.57 3hpj s LEU 230 Cb -0.13 -1.49 -0.06 0.00 0.50 0.00 0.00 46.19 45.01 3hpj s LEU 230 CO 0.15 0.05 0.66 0.68 -1.32 0.00 0.00 176.35 176.58 3hpj s VAL 231 N 0.98 4.88 0.43 1.68 -7.23 -1.04 -5.05 120.40 115.06 3hpj s VAL 231 Ca -0.03 0.42 -0.26 0.00 -1.81 0.00 0.00 61.98 60.30 3hpj s VAL 231 Cb -0.15 -3.71 -0.09 0.00 0.56 0.00 0.00 36.38 33.00 3hpj s VAL 231 CO -0.05 -0.36 1.42 -0.70 -0.31 0.00 0.00 175.10 175.10 3hpj s GLU 232 N -3.54 3.78 0.29 4.82 2.12 -1.26 -4.65 118.70 120.26 3hpj s GLU 232 Ca 0.48 2.40 -0.30 0.00 0.36 0.00 0.00 54.97 57.91 3hpj s GLU 232 Cb -0.11 -2.71 -0.12 0.00 0.26 0.00 0.00 34.13 31.45 3hpj s GLU 232 CO 0.28 -0.73 1.54 2.41 -0.54 0.00 0.00 175.26 178.22 3hpj n THR 233 N -0.06 1.11 -4.24 -1.70 -1.04 -1.26 -4.86 114.28 102.23 3hpj n THR 233 Ca 0.04 -0.28 -0.17 0.00 -2.04 0.00 0.00 64.05 61.61 3hpj n THR 233 Cb 0.42 -1.84 -0.13 0.00 -1.82 0.00 0.00 70.33 66.95 3hpj n THR 233 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3hpj s ARG 234 N -0.65 0.65 0.08 -2.82 1.70 -0.72 -4.97 118.95 112.23 3hpj s ARG 234 Ca 0.64 -0.49 -0.31 0.00 -0.47 0.00 0.00 55.73 55.10 3hpj s ARG 234 Cb -0.53 -0.58 -0.06 0.00 -0.57 0.00 0.00 34.95 33.20 3hpj s ARG 234 CO 0.50 0.15 1.27 -1.25 -1.08 0.00 0.00 175.30 174.89 3hpj s PRO 235 N -0.73 4.39 0.43 3.89 0.04 -1.26 -0.88 135.00 140.89 3hpj s PRO 235 Ca -0.01 1.88 0.21 0.00 0.04 0.00 0.00 61.00 63.12 3hpj s PRO 235 Cb -0.06 -3.31 0.99 0.00 0.04 0.00 0.00 34.50 32.16 3hpj s PRO 235 CO 0.00 -0.32 1.88 0.00 0.04 0.00 0.00 177.00 178.61 3hpj h ALA 236 N 6.79 1.18 0.00 8.56 0.00 -1.41 -3.47 119.26 130.91 3hpj h ALA 236 Ca -0.42 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.25 3hpj h ALA 236 Cb 1.21 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.96 3hpj h ALA 236 CO 0.83 0.33 0.00 0.41 0.00 0.00 0.00 179.25 180.82 3hpj n GLY 237 N -0.24 0.32 0.77 0.00 0.00 -1.26 -4.91 105.19 99.87 3hpj n GLY 237 Ca -0.01 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.08 3hpj n GLY 237 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3hpj n ASP 238 N 0.00 3.34 0.00 1.61 5.75 -1.26 -4.92 116.55 121.07 3hpj n ASP 238 Ca 0.00 -2.37 0.00 0.00 -0.01 0.00 0.00 54.79 52.41 3hpj n ASP 238 Cb 0.00 -0.36 0.00 0.00 -1.03 0.00 0.00 41.12 39.73 3hpj n ASP 238 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3hpj n GLY 239 N 0.18 0.63 3.91 6.12 0.00 -1.26 -5.06 105.19 109.71 3hpj n GLY 239 Ca 0.16 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.91 3hpj n GLY 239 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3hpj s THR 240 N -2.43 1.60 0.16 2.61 -4.23 -1.26 -4.90 115.64 107.19 3hpj s THR 240 Ca 0.00 -1.49 0.04 0.00 -1.18 0.00 0.00 61.69 59.05 3hpj s THR 240 Cb 0.00 -2.09 -0.05 0.00 1.34 0.00 0.00 72.50 71.71 3hpj s THR 240 CO 0.00 0.00 -0.07 -0.36 -0.54 0.00 0.00 174.62 173.65 3hpj s PHE 241 N -2.79 1.28 0.08 3.99 0.08 -0.34 -1.07 117.98 119.22 3hpj s PHE 241 Ca 0.33 -0.84 0.02 0.00 0.12 0.00 0.00 56.93 56.57 3hpj s PHE 241 Cb -0.02 -0.69 -0.03 0.00 -0.57 0.00 0.00 43.02 41.70 3hpj s PHE 241 CO 0.21 -0.00 -0.08 -0.65 -0.10 0.00 0.00 175.22 174.60 3hpj s GLN 242 N -3.80 0.73 -0.09 0.44 -0.21 -0.06 -2.04 119.66 114.63 3hpj s GLN 242 Ca 0.19 -1.09 -0.30 0.00 0.02 0.00 0.00 55.36 54.19 3hpj s GLN 242 Cb 0.04 -0.32 0.07 0.00 1.00 0.00 0.00 33.01 33.80 3hpj s GLN 242 CO 0.02 0.03 0.70 0.21 -2.12 0.00 0.00 175.29 174.14 3hpj s LYS 243 N -2.78 1.00 0.09 2.91 2.20 -0.43 -1.75 119.74 120.99 3hpj s LYS 243 Ca 0.03 0.36 0.03 0.00 -0.36 0.00 0.00 55.97 56.02 3hpj s LYS 243 Cb -0.02 0.48 -0.04 0.00 -1.51 0.00 0.00 37.83 36.74 3hpj s LYS 243 CO -0.02 -0.29 -0.09 1.67 -0.36 0.00 0.00 175.35 176.26 3hpj s TRP 244 N -0.96 0.98 -0.05 4.03 1.48 -1.26 -0.49 118.94 122.66 3hpj s TRP 244 Ca -0.09 -0.71 0.02 0.00 -1.06 0.00 0.00 56.10 54.27 3hpj s TRP 244 Cb -0.01 -0.54 0.01 0.00 -1.16 0.00 0.00 33.47 31.77 3hpj s TRP 244 CO 0.08 -0.05 -0.11 0.00 -4.06 0.00 0.00 176.95 172.82 3hpj s ALA 245 N -2.66 1.11 0.06 2.67 0.00 -0.74 -2.51 121.76 119.68 3hpj s ALA 245 Ca 0.06 -0.37 0.07 0.00 0.00 0.00 0.00 51.96 51.72 3hpj s ALA 245 Cb -0.01 -0.48 -0.03 0.00 0.00 0.00 0.00 23.12 22.60 3hpj s ALA 245 CO -0.01 0.12 -0.21 0.00 0.00 0.00 0.00 175.76 175.66 3hpj s ALA 246 N 0.52 1.75 0.07 0.00 0.00 0.39 -0.72 121.76 123.78 3hpj s ALA 246 Ca -0.10 -1.09 0.06 0.00 0.00 0.00 0.00 51.96 50.82 3hpj s ALA 246 Cb -0.14 -0.32 -0.03 0.00 0.00 0.00 0.00 23.12 22.64 3hpj s ALA 246 CO 0.02 0.38 -0.16 0.14 0.00 0.00 0.00 175.76 176.15 3hpj s VAL 247 N -0.88 1.25 -0.23 0.00 -7.23 -0.25 -0.80 120.40 112.27 3hpj s VAL 247 Ca 0.07 -1.26 -0.14 0.00 -1.81 0.00 0.00 61.98 58.84 3hpj s VAL 247 Cb -0.09 -1.16 -0.04 0.00 0.56 0.00 0.00 36.38 35.65 3hpj s VAL 247 CO 0.02 -0.11 0.32 -0.69 -0.31 0.00 0.00 175.10 174.33 3hpj s VAL 248 N -1.12 5.24 -0.15 1.32 1.01 -1.26 -1.13 120.40 124.32 3hpj s VAL 248 Ca 0.01 0.52 0.02 0.00 0.00 0.00 0.00 61.98 62.53 3hpj s VAL 248 Cb -0.09 -3.66 0.02 0.00 0.00 0.00 0.00 36.38 32.65 3hpj s VAL 248 CO 0.02 0.26 -0.20 -0.69 0.00 0.00 0.00 175.10 174.49 3hpj s VAL 249 N 1.41 1.92 0.30 2.92 1.01 0.12 -4.95 120.40 123.14 3hpj s VAL 249 Ca 0.15 -0.88 -0.29 0.00 0.00 0.00 0.00 61.98 60.96 3hpj s VAL 249 Cb -0.15 -1.73 -0.11 0.00 0.00 0.00 0.00 36.38 34.40 3hpj s VAL 249 CO 0.07 0.52 1.46 -2.84 0.00 0.00 0.00 175.10 174.32 3hpj s PRO 250 N 1.06 4.22 0.18 2.72 0.02 -1.26 -0.54 135.00 141.39 3hpj s PRO 250 Ca -0.02 2.41 -0.33 0.00 0.02 0.00 0.00 61.00 63.08 3hpj s PRO 250 Cb -0.14 -3.05 -0.15 0.00 0.02 0.00 0.00 34.50 31.18 3hpj s PRO 250 CO -0.06 -0.45 1.39 0.43 -0.33 0.00 0.00 177.00 177.98 3hpj n SER 251 N 1.61 2.37 0.00 2.53 7.64 -0.09 -1.73 113.62 125.94 3hpj n SER 251 Ca 0.05 1.12 0.00 0.00 1.01 0.00 0.00 58.87 61.05 3hpj n SER 251 Cb 0.40 -1.34 0.00 0.00 -1.01 0.00 0.00 64.21 62.25 3hpj n SER 251 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3hpj n GLY 252 N 2.52 1.08 1.14 0.23 0.00 -1.26 -4.93 105.19 103.96 3hpj n GLY 252 Ca 0.15 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.25 3hpj n GLY 252 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3hpj n GLN 253 N -2.00 3.27 -0.06 1.61 6.02 -0.71 -4.71 117.38 120.80 3hpj n GLN 253 Ca 0.00 -2.63 0.09 0.00 -0.01 0.00 0.00 57.00 54.45 3hpj n GLN 253 Cb 0.00 -1.69 0.47 0.00 1.02 0.00 0.00 30.24 30.04 3hpj n GLN 253 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 177.06 176.98 3hpj h GLU 254 N 2.95 0.46 0.00 -1.09 3.07 -1.92 -1.87 114.58 116.18 3hpj h GLU 254 Ca 0.00 -0.03 0.00 0.00 -0.50 0.00 0.00 59.36 58.83 3hpj h GLU 254 Cb 1.23 -0.10 0.00 0.00 -0.84 0.00 0.00 28.75 29.03 3hpj h GLU 254 CO 0.16 0.30 0.00 -0.56 -1.40 0.00 0.00 179.01 177.51 3hpj h GLN 255 N 0.47 0.00 0.00 2.33 -0.00 -1.85 -2.40 115.11 113.67 3hpj h GLN 255 Ca 0.24 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.89 3hpj h GLN 255 Cb 0.35 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.83 3hpj h GLN 255 CO -0.07 0.00 0.00 0.00 -0.00 0.00 0.00 178.83 178.76 3hpj h ARG 256 N 0.00 0.00 -5.64 0.06 3.08 -1.70 -3.46 114.38 106.71 3hpj h ARG 256 Ca 0.00 0.00 -0.64 0.00 0.07 0.00 0.00 59.98 59.41 3hpj h ARG 256 Cb 0.57 0.00 -0.08 0.00 0.08 0.00 0.00 29.97 30.55 3hpj h ARG 256 CO 0.00 0.00 -0.40 0.71 -1.07 0.00 0.00 179.97 179.21 3hpj s TYR 257 N -3.55 3.58 -0.01 3.04 2.02 -0.90 -0.67 117.35 120.85 3hpj s TYR 257 Ca 0.03 0.61 0.04 0.00 -0.37 0.00 0.00 57.07 57.37 3hpj s TYR 257 Cb 0.09 -2.11 -0.01 0.00 -0.40 0.00 0.00 41.96 39.53 3hpj s TYR 257 CO 0.54 0.58 -0.12 0.95 -1.57 0.00 0.00 175.55 175.93 3hpj s THR 258 N -0.62 0.96 -0.14 -0.71 -4.23 0.12 -4.48 115.64 106.54 3hpj s THR 258 Ca 0.16 -0.51 -0.06 0.00 -1.18 0.00 0.00 61.69 60.10 3hpj s THR 258 Cb -0.13 -0.81 -0.04 0.00 1.34 0.00 0.00 72.50 72.86 3hpj s THR 258 CO 0.05 0.28 0.07 0.00 -0.54 0.00 0.00 174.62 174.48 3hpj s HIS 260 N -0.34 2.67 -0.14 0.00 3.76 0.63 -0.30 115.29 121.57 3hpj s HIS 260 Ca 0.09 -1.04 0.01 0.00 -0.15 0.00 0.00 55.06 53.97 3hpj s HIS 260 Cb -0.12 -1.79 0.02 0.00 1.11 0.00 0.00 32.58 31.80 3hpj s HIS 260 CO 0.02 -0.43 -0.17 0.08 -0.85 0.00 0.00 174.74 173.38 3hpj s VAL 261 N 0.54 1.72 -0.08 -0.90 1.01 0.29 -1.60 120.40 121.39 3hpj s VAL 261 Ca -0.12 -0.74 0.05 0.00 0.00 0.00 0.00 61.98 61.16 3hpj s VAL 261 Cb -0.17 -1.57 -0.01 0.00 0.00 0.00 0.00 36.38 34.64 3hpj s VAL 261 CO 0.04 0.48 -0.24 -1.10 0.00 0.00 0.00 175.10 174.28 3hpj s GLN 262 N 1.22 2.76 -0.02 2.72 -0.21 0.26 -1.40 119.66 124.99 3hpj s GLN 262 Ca 0.00 -0.89 -0.30 0.00 0.02 0.00 0.00 55.36 54.19 3hpj s GLN 262 Cb -0.14 -2.23 0.07 0.00 1.00 0.00 0.00 33.01 31.72 3hpj s GLN 262 CO -0.07 0.30 0.68 -1.58 -2.12 0.00 0.00 175.29 172.49 3hpj s HIS 263 N 0.04 -0.64 0.60 0.91 2.46 -1.26 -1.23 115.29 116.17 3hpj s HIS 263 Ca -0.10 1.01 0.31 0.00 0.47 0.00 0.00 55.06 56.75 3hpj s HIS 263 Cb -0.15 0.43 1.88 0.00 -0.13 0.00 0.00 32.58 34.61 3hpj s HIS 263 CO 0.06 -0.64 2.27 1.49 -2.47 0.00 0.00 174.74 175.45 3hpj h GLU 264 N 2.85 0.00 0.00 2.88 4.81 -1.93 -1.82 114.58 121.37 3hpj h GLU 264 Ca -0.28 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.95 3hpj h GLU 264 Cb 1.16 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.54 3hpj h GLU 264 CO 0.39 0.00 0.00 0.78 -0.73 0.00 0.00 179.01 179.45 3hpj h GLY 265 N 0.01 0.00 -7.04 1.92 0.00 -1.87 -3.44 103.07 92.65 3hpj h GLY 265 Ca -0.00 0.00 -0.63 0.00 0.00 0.00 0.00 47.33 46.70 3hpj h GLY 265 CO 0.00 0.00 -0.08 1.08 0.00 0.00 0.00 176.54 177.54 3hpj s LEU 266 N -5.54 4.15 0.19 3.11 1.43 -0.69 -4.59 118.68 116.75 3hpj s LEU 266 Ca 0.04 0.27 -0.12 0.00 -1.03 0.00 0.00 54.13 53.29 3hpj s LEU 266 Cb 0.09 -2.58 0.19 0.00 0.03 0.00 0.00 46.19 43.92 3hpj s LEU 266 CO 0.53 -0.33 1.76 -0.65 0.23 0.00 0.00 176.35 177.89 3hpj h PRO 267 N 8.21 0.40 -6.50 1.29 0.11 -1.86 -3.41 132.00 130.24 3hpj h PRO 267 Ca -0.29 -0.02 -0.66 0.00 0.11 0.00 0.00 66.00 65.14 3hpj h PRO 267 Cb 1.14 -0.09 -0.27 0.00 0.11 0.00 0.00 31.00 31.89 3hpj h PRO 267 CO 0.72 0.27 -0.87 0.15 -0.21 0.00 0.00 178.00 178.05 3hpj s LYS 268 N -6.12 1.72 0.47 1.05 1.02 -1.26 -5.12 119.74 111.50 3hpj s LYS 268 Ca -0.13 -1.02 -0.24 0.00 0.02 0.00 0.00 55.97 54.61 3hpj s LYS 268 Cb 0.15 -1.84 -0.08 0.00 -0.52 0.00 0.00 37.83 35.54 3hpj s LYS 268 CO 0.74 0.48 1.21 -2.30 -0.92 0.00 0.00 175.35 174.56 3hpj n PRO 269 N 1.94 1.67 -3.59 -1.68 -0.02 -1.26 -4.98 135.00 127.08 3hpj n PRO 269 Ca -0.17 0.60 -0.36 0.00 -2.02 0.00 0.00 63.50 61.55 3hpj n PRO 269 Cb 0.52 -2.35 -0.06 0.00 -0.02 0.00 0.00 33.50 31.60 3hpj n PRO 269 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3hpj s LEU 270 N -1.91 4.41 -0.18 2.45 1.43 -0.49 -4.90 118.68 119.49 3hpj s LEU 270 Ca 0.65 0.82 -0.00 0.00 -1.03 0.00 0.00 54.13 54.57 3hpj s LEU 270 Cb -0.48 -2.68 0.01 0.00 0.03 0.00 0.00 46.19 43.06 3hpj s LEU 270 CO 0.55 0.27 -0.15 -0.89 0.23 0.00 0.00 176.35 176.36 3hpj s THR 271 N -1.20 2.57 0.06 5.49 2.01 -1.26 -0.54 115.64 122.76 3hpj s THR 271 Ca 0.26 -0.78 0.07 0.00 0.31 0.00 0.00 61.69 61.56 3hpj s THR 271 Cb -0.15 -2.10 -0.03 0.00 0.01 0.00 0.00 72.50 70.22 3hpj s THR 271 CO 0.14 0.50 -0.18 -0.76 -0.69 0.00 0.00 174.62 173.63 3hpj s LEU 272 N 1.15 2.61 -0.02 4.42 1.43 0.59 -4.94 118.68 123.92 3hpj s LEU 272 Ca 0.01 -0.46 -0.01 0.00 -1.03 0.00 0.00 54.13 52.65 3hpj s LEU 272 Cb -0.14 -1.52 0.02 0.00 0.03 0.00 0.00 46.19 44.58 3hpj s LEU 272 CO -0.06 0.24 0.04 -0.60 0.23 0.00 0.00 176.35 176.20 3hpj s ARG 273 N -1.56 0.01 -0.22 1.70 3.52 -1.26 -0.33 118.95 120.80 3hpj s ARG 273 Ca 0.15 0.12 -0.29 0.00 -0.13 0.00 0.00 55.73 55.58 3hpj s ARG 273 Cb -0.10 -0.10 -0.02 0.00 -1.56 0.00 0.00 34.95 33.16 3hpj s ARG 273 CO 0.06 -0.08 1.58 -0.46 -0.81 0.00 0.00 175.30 175.59 3hpj s TRP 274 N 0.51 2.17 0.00 5.12 -0.11 -1.26 -5.08 118.94 120.29 3hpj s TRP 274 Ca -0.04 0.57 0.00 0.00 1.22 0.00 0.00 56.10 57.85 3hpj s TRP 274 Cb -0.06 -3.97 0.00 0.00 -1.50 0.00 0.00 33.47 27.95 3hpj s TRP 274 CO -0.02 -2.82 0.00 -0.85 -4.62 0.00 0.00 176.95 168.64