#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1agd n SER 2 N 0.00 0.22 -4.07 1.61 3.41 -0.73 -4.77 113.62 109.29 1agd n SER 2 Ca 0.00 -0.31 -0.08 0.00 -0.26 0.00 0.00 58.87 58.22 1agd n SER 2 Cb 0.00 0.67 -0.10 0.00 -0.26 0.00 0.00 64.21 64.52 1agd n SER 2 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 1agd s HIS 3 N -0.71 0.49 0.01 7.33 4.02 -0.87 -5.02 115.29 120.53 1agd s HIS 3 Ca 0.00 -0.90 -0.07 0.00 1.02 0.00 0.00 55.06 55.11 1agd s HIS 3 Cb 0.00 -0.35 -0.00 0.00 -1.02 0.00 0.00 32.58 31.21 1agd s HIS 3 CO 0.00 -0.30 0.14 -1.54 1.02 0.00 0.00 174.74 174.05 1agd s SER 4 N -2.51 0.05 -0.06 1.40 1.04 -1.26 -0.36 113.70 112.00 1agd s SER 4 Ca 0.01 -0.27 0.05 0.00 0.48 0.00 0.00 55.95 56.21 1agd s SER 4 Cb 0.03 0.22 -0.00 0.00 0.10 0.00 0.00 66.02 66.36 1agd s SER 4 CO -0.07 -0.41 -0.20 -0.32 0.98 0.00 0.00 173.24 173.22 1agd s MET 5 N -1.69 2.15 -0.08 4.02 1.75 -0.46 -0.92 119.30 124.07 1agd s MET 5 Ca -0.12 -0.71 -0.10 0.00 -1.25 0.00 0.00 55.69 53.51 1agd s MET 5 Cb -0.06 -1.80 0.02 0.00 2.84 0.00 0.00 34.83 35.83 1agd s MET 5 CO 0.00 0.25 0.26 0.50 -0.65 0.00 0.00 175.02 175.39 1agd s ARG 6 N 0.08 0.39 -0.17 4.11 6.06 -0.53 -1.65 118.95 127.24 1agd s ARG 6 Ca -0.07 0.21 -0.01 0.00 -2.50 0.00 0.00 55.73 53.36 1agd s ARG 6 Cb -0.13 0.18 -0.01 0.00 0.06 0.00 0.00 34.95 35.05 1agd s ARG 6 CO 0.04 -0.07 -0.11 0.71 -2.50 0.00 0.00 175.30 173.37 1agd s TYR 7 N -0.23 2.86 -0.32 5.12 1.51 -0.03 -0.61 117.35 125.65 1agd s TYR 7 Ca -0.03 -0.84 -0.07 0.00 -1.01 0.00 0.00 57.07 55.11 1agd s TYR 7 Cb -0.03 -1.94 0.02 0.00 -0.11 0.00 0.00 41.96 39.90 1agd s TYR 7 CO 0.01 -0.39 0.11 -0.06 -1.11 0.00 0.00 175.55 174.11 1agd s PHE 8 N 0.84 3.21 -0.09 2.71 0.40 -0.27 -2.48 117.98 122.29 1agd s PHE 8 Ca -0.03 -1.18 0.00 0.00 -0.60 0.00 0.00 56.93 55.12 1agd s PHE 8 Cb -0.15 -2.29 -0.03 0.00 0.51 0.00 0.00 43.02 41.07 1agd s PHE 8 CO 0.01 -0.65 -0.09 -0.51 0.70 0.00 0.00 175.22 174.67 1agd s ASP 9 N 1.46 4.40 -0.09 1.36 1.01 -0.10 -1.50 116.67 123.22 1agd s ASP 9 Ca 0.01 -0.14 0.01 0.00 0.71 0.00 0.00 52.55 53.13 1agd s ASP 9 Cb -0.18 -1.30 0.02 0.00 1.01 0.00 0.00 42.92 42.47 1agd s ASP 9 CO 0.03 0.28 -0.08 -0.89 0.21 0.00 0.00 175.17 174.73 1agd s THR 10 N -0.34 0.93 -0.15 -1.27 2.01 -0.08 -1.07 115.64 115.67 1agd s THR 10 Ca 0.04 -0.29 0.02 0.00 0.31 0.00 0.00 61.69 61.78 1agd s THR 10 Cb -0.12 -0.93 0.01 0.00 0.01 0.00 0.00 72.50 71.47 1agd s THR 10 CO 0.02 0.33 -0.21 0.00 -0.69 0.00 0.00 174.62 174.08 1agd s ALA 11 N 1.30 2.30 -0.13 7.40 0.00 0.14 -1.20 121.76 131.57 1agd s ALA 11 Ca -0.03 -1.13 0.01 0.00 0.00 0.00 0.00 51.96 50.81 1agd s ALA 11 Cb -0.14 -1.07 0.02 0.00 0.00 0.00 0.00 23.12 21.93 1agd s ALA 11 CO -0.03 -0.12 -0.13 -1.64 0.00 0.00 0.00 175.76 173.83 1agd s MET 12 N 0.95 2.15 0.61 0.00 -1.94 0.31 -0.49 119.30 120.90 1agd s MET 12 Ca -0.03 -0.51 -0.12 0.00 -1.71 0.00 0.00 55.69 53.32 1agd s MET 12 Cb -0.15 -1.96 -0.04 0.00 2.01 0.00 0.00 34.83 34.69 1agd s MET 12 CO -0.05 -0.20 1.03 -1.54 -0.01 0.00 0.00 175.02 174.25 1agd s SER 13 N 1.39 6.22 -0.49 3.03 1.04 0.03 -1.30 113.70 123.62 1agd s SER 13 Ca 0.02 1.44 0.06 0.00 0.48 0.00 0.00 55.95 57.96 1agd s SER 13 Cb -0.13 -2.47 0.21 0.00 0.10 0.00 0.00 66.02 63.72 1agd s SER 13 CO -0.08 -0.87 0.73 -2.11 0.98 0.00 0.00 173.24 171.89 1agd n ARG 14 N -2.66 0.59 -1.66 4.02 1.85 -1.26 -3.99 116.66 113.55 1agd n ARG 14 Ca 0.06 -2.11 -0.55 0.00 -1.00 0.00 0.00 57.85 54.26 1agd n ARG 14 Cb 0.54 -1.47 -0.07 0.00 -1.05 0.00 0.00 32.46 30.41 1agd n ARG 14 CO 0.00 0.00 0.00 -2.30 -0.01 0.00 0.00 177.63 175.32 1agd n PRO 15 N 2.45 1.18 -0.26 2.89 -0.02 -1.26 -0.81 135.00 139.16 1agd n PRO 15 Ca 0.16 0.43 0.00 0.00 -2.02 0.00 0.00 63.50 62.07 1agd n PRO 15 Cb 0.57 -2.10 0.00 0.00 -0.02 0.00 0.00 33.50 31.95 1agd n PRO 15 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1agd n GLY 16 N 3.48 1.10 1.83 -1.23 0.00 -1.26 -4.89 105.19 104.23 1agd n GLY 16 Ca 0.23 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.18 1agd n GLY 16 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1agd n ARG 17 N -2.00 2.12 0.00 1.61 1.74 0.01 -5.11 116.66 115.03 1agd n ARG 17 Ca 0.00 -3.47 0.00 0.00 -0.77 0.00 0.00 57.85 53.61 1agd n ARG 17 Cb 0.00 -1.61 0.00 0.00 -1.02 0.00 0.00 32.46 29.83 1agd n ARG 17 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1agd n GLY 18 N -0.58 -2.21 3.78 -0.13 0.00 -1.25 -4.93 105.19 99.86 1agd n GLY 18 Ca 0.23 -1.77 -0.32 0.00 0.00 0.00 0.00 46.02 44.16 1agd n GLY 18 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1agd s GLU 19 N -0.22 2.63 0.24 1.61 0.41 -1.26 -4.50 118.70 117.60 1agd s GLU 19 Ca 0.00 1.20 -0.31 0.00 -0.41 0.00 0.00 54.97 55.45 1agd s GLU 19 Cb 0.00 -1.94 -0.12 0.00 -1.78 0.00 0.00 34.13 30.29 1agd s GLU 19 CO 0.00 -1.36 1.66 -2.30 -0.49 0.00 0.00 175.26 172.77 1agd n PRO 20 N -3.00 2.69 -2.43 0.39 -0.02 -1.26 -4.77 135.00 126.60 1agd n PRO 20 Ca 0.09 0.96 -0.40 0.00 -2.02 0.00 0.00 63.50 62.13 1agd n PRO 20 Cb 0.53 -2.78 -0.04 0.00 -0.02 0.00 0.00 33.50 31.19 1agd n PRO 20 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 1agd s ARG 21 N 0.52 4.59 -0.11 -0.52 3.52 -0.42 -4.79 118.95 121.74 1agd s ARG 21 Ca 0.71 1.85 -0.00 0.00 -0.13 0.00 0.00 55.73 58.16 1agd s ARG 21 Cb -0.52 -3.15 0.02 0.00 -1.56 0.00 0.00 34.95 29.74 1agd s ARG 21 CO 0.39 0.15 -0.08 0.12 -0.81 0.00 0.00 175.30 175.07 1agd s PHE 22 N -1.17 1.49 -0.04 5.12 5.36 -1.26 -0.53 117.98 126.95 1agd s PHE 22 Ca 0.45 -0.74 0.04 0.00 -0.96 0.00 0.00 56.93 55.72 1agd s PHE 22 Cb -0.33 -1.23 -0.00 0.00 -0.34 0.00 0.00 43.02 41.12 1agd s PHE 22 CO 0.42 -0.51 -0.16 -1.50 -1.46 0.00 0.00 175.22 172.01 1agd s ILE 23 N 1.68 1.32 -0.12 3.12 2.07 -0.34 -0.61 121.20 128.31 1agd s ILE 23 Ca 0.04 -0.66 0.00 0.00 -1.41 0.00 0.00 60.65 58.62 1agd s ILE 23 Cb -0.13 -1.14 0.02 0.00 0.13 0.00 0.00 42.46 41.35 1agd s ILE 23 CO -0.08 0.38 -0.11 -0.55 -1.91 0.00 0.00 174.94 172.67 1agd s SER 24 N 0.02 2.36 -0.08 4.50 0.15 0.34 -0.90 113.70 120.09 1agd s SER 24 Ca -0.03 -0.38 0.03 0.00 0.70 0.00 0.00 55.95 56.27 1agd s SER 24 Cb -0.11 -0.98 -0.02 0.00 -1.71 0.00 0.00 66.02 63.20 1agd s SER 24 CO 0.02 -0.08 -0.16 0.68 1.20 0.00 0.00 173.24 174.90 1agd s VAL 25 N 1.50 2.87 -0.07 4.45 -7.23 -0.56 -0.62 120.40 120.74 1agd s VAL 25 Ca 0.03 -0.76 -0.00 0.00 -1.81 0.00 0.00 61.98 59.43 1agd s VAL 25 Cb -0.13 -2.14 -0.03 0.00 0.56 0.00 0.00 36.38 34.64 1agd s VAL 25 CO -0.08 0.56 -0.04 -0.83 -0.31 0.00 0.00 175.10 174.41 1agd s GLY 26 N -0.22 1.77 0.06 2.32 0.00 -0.29 -1.12 107.32 109.84 1agd s GLY 26 Ca 0.00 -0.86 0.05 0.00 0.00 0.00 0.00 44.72 43.91 1agd s GLY 26 CO 0.03 -0.64 -0.13 -0.19 0.00 0.00 0.00 173.10 172.17 1agd s TYR 27 N -0.86 1.16 -0.22 1.90 1.51 0.22 -0.49 117.35 120.56 1agd s TYR 27 Ca 0.13 -0.42 0.02 0.00 -1.01 0.00 0.00 57.07 55.79 1agd s TYR 27 Cb -0.11 -0.67 0.04 0.00 -0.11 0.00 0.00 41.96 41.11 1agd s TYR 27 CO 0.02 0.04 -0.15 0.08 -1.11 0.00 0.00 175.55 174.43 1agd s VAL 28 N -1.12 2.09 0.00 0.71 1.01 -0.23 -1.45 120.40 121.41 1agd s VAL 28 Ca -0.01 -1.28 0.00 0.00 0.00 0.00 0.00 61.98 60.68 1agd s VAL 28 Cb -0.09 -2.06 0.00 0.00 0.00 0.00 0.00 36.38 34.23 1agd s VAL 28 CO 0.02 0.24 0.00 0.47 0.00 0.00 0.00 175.10 175.83 1agd n ASP 29 N 4.53 0.00 -1.81 3.32 8.00 -0.09 -0.93 116.55 129.57 1agd n ASP 29 Ca -0.17 0.00 -0.00 0.00 0.71 0.00 0.00 54.79 55.33 1agd n ASP 29 Cb 0.46 0.00 0.33 0.00 -0.02 0.00 0.00 41.12 41.89 1agd n ASP 29 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1agd n ASP 30 N 5.96 4.92 -4.17 -2.24 8.00 -1.26 -4.87 116.55 122.89 1agd n ASP 30 Ca 0.00 -3.14 -0.34 0.00 0.71 0.00 0.00 54.79 52.02 1agd n ASP 30 Cb 0.00 -0.70 -0.14 0.00 -0.02 0.00 0.00 41.12 40.26 1agd n ASP 30 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1agd s THR 31 N -2.92 2.86 0.11 -3.53 2.01 -0.11 -5.02 115.64 109.04 1agd s THR 31 Ca 0.53 -1.30 -0.30 0.00 0.31 0.00 0.00 61.69 60.93 1agd s THR 31 Cb 0.42 -2.59 -0.07 0.00 0.01 0.00 0.00 72.50 70.28 1agd s THR 31 CO 0.13 -0.00 1.20 -1.58 -0.69 0.00 0.00 174.62 173.67 1agd s GLN 32 N 1.26 4.46 -0.00 4.92 0.74 -1.26 -1.06 119.66 128.71 1agd s GLN 32 Ca -0.04 1.81 0.02 0.00 0.05 0.00 0.00 55.36 57.20 1agd s GLN 32 Cb -0.19 -3.30 -0.03 0.00 1.10 0.00 0.00 33.01 30.59 1agd s GLN 32 CO -0.03 -0.17 0.08 1.97 -0.55 0.00 0.00 175.29 176.59 1agd n PHE 33 N 3.31 0.00 -3.73 1.67 -1.74 0.36 -4.10 117.46 113.22 1agd n PHE 33 Ca 0.07 0.00 -0.10 0.00 -0.56 0.00 0.00 57.45 56.86 1agd n PHE 33 Cb 0.46 -0.03 -0.06 0.00 1.52 0.00 0.00 39.48 41.37 1agd n PHE 33 CO 0.00 0.00 0.00 0.14 -0.56 0.00 0.00 176.76 176.34 1agd s VAL 34 N -1.74 0.10 -0.04 1.97 -7.23 -1.17 -1.24 120.40 111.04 1agd s VAL 34 Ca -0.00 -0.84 -0.16 0.00 -1.81 0.00 0.00 61.98 59.17 1agd s VAL 34 Cb 0.02 -1.26 0.03 0.00 0.56 0.00 0.00 36.38 35.72 1agd s VAL 34 CO 0.10 -0.44 0.36 0.00 -0.31 0.00 0.00 175.10 174.81 1agd s ARG 35 N -3.83 0.66 -0.03 4.82 1.70 -1.04 -1.13 118.95 120.09 1agd s ARG 35 Ca 0.04 -0.01 -0.01 0.00 -0.47 0.00 0.00 55.73 55.29 1agd s ARG 35 Cb 0.03 0.30 0.03 0.00 -0.57 0.00 0.00 34.95 34.74 1agd s ARG 35 CO -0.11 -0.17 0.06 0.12 -1.08 0.00 0.00 175.30 174.12 1agd s PHE 36 N -1.01 -0.02 -0.07 5.89 2.19 0.21 -2.01 117.98 123.16 1agd s PHE 36 Ca -0.11 0.23 -0.01 0.00 0.33 0.00 0.00 56.93 57.37 1agd s PHE 36 Cb -0.04 -0.21 0.03 0.00 -1.31 0.00 0.00 43.02 41.48 1agd s PHE 36 CO 0.04 -0.11 -0.01 0.34 1.83 0.00 0.00 175.22 177.31 1agd s ASP 37 N 1.16 1.56 0.61 6.13 -1.08 -1.26 -0.50 116.67 123.29 1agd s ASP 37 Ca -0.08 -0.10 0.40 0.00 -0.52 0.00 0.00 52.55 52.24 1agd s ASP 37 Cb -0.13 -0.46 1.96 0.00 -1.46 0.00 0.00 42.92 42.83 1agd s ASP 37 CO -0.04 -0.18 2.20 0.77 0.52 0.00 0.00 175.17 178.45 1agd h SER 38 N 8.22 0.00 0.42 -0.34 4.64 -1.26 -1.91 113.55 123.32 1agd h SER 38 Ca -0.22 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.10 1agd h SER 38 Cb 1.13 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.22 1agd h SER 38 CO 0.29 0.00 -0.12 0.47 -0.87 0.00 0.00 176.83 176.60 1agd n ASP 39 N -3.11 0.43 -4.76 4.97 8.00 -1.26 -4.77 116.55 116.04 1agd n ASP 39 Ca -0.01 -0.47 -0.39 0.00 0.71 0.00 0.00 54.79 54.62 1agd n ASP 39 Cb 0.17 -0.09 0.01 0.00 -0.02 0.00 0.00 41.12 41.20 1agd n ASP 39 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1agd s ALA 40 N -2.54 3.10 0.38 2.24 0.00 -0.72 -4.88 121.76 119.34 1agd s ALA 40 Ca 0.27 1.27 0.17 0.00 0.00 0.00 0.00 51.96 53.67 1agd s ALA 40 Cb 0.20 -3.52 1.09 0.00 0.00 0.00 0.00 23.12 20.89 1agd s ALA 40 CO 0.49 -1.03 1.73 0.00 0.00 0.00 0.00 175.76 176.95 1agd h ALA 41 N 2.19 2.16 -2.52 0.00 0.00 -1.90 -3.14 119.26 116.05 1agd h ALA 41 Ca -0.50 0.10 -0.59 0.00 0.00 0.00 0.00 54.91 53.92 1agd h ALA 41 Cb 1.26 0.06 -0.39 0.00 0.00 0.00 0.00 17.79 18.73 1agd h ALA 41 CO 0.60 -0.63 -0.89 -1.54 0.00 0.00 0.00 179.25 176.79 1agd s SER 42 N -5.11 2.39 0.10 0.00 1.04 -1.26 -5.12 113.70 105.73 1agd s SER 42 Ca -0.09 -2.59 -0.34 0.00 0.48 0.00 0.00 55.95 53.41 1agd s SER 42 Cb 0.27 -0.46 -0.13 0.00 0.10 0.00 0.00 66.02 65.80 1agd s SER 42 CO 0.80 -0.25 1.65 -0.81 0.98 0.00 0.00 173.24 175.61 1agd n PRO 43 N 3.50 2.14 -3.47 4.02 -0.04 -1.19 -4.97 135.00 134.99 1agd n PRO 43 Ca 0.19 0.78 -0.12 0.00 -0.04 0.00 0.00 63.50 64.31 1agd n PRO 43 Cb 0.41 -2.56 -0.03 0.00 -0.04 0.00 0.00 33.50 31.29 1agd n PRO 43 CO 0.00 0.00 0.00 -0.98 -0.04 0.00 0.00 175.50 174.48 1agd s ARG 44 N 1.69 1.07 -0.17 0.54 1.70 -1.26 -5.05 118.95 117.46 1agd s ARG 44 Ca 0.82 -0.28 -0.29 0.00 -0.47 0.00 0.00 55.73 55.51 1agd s ARG 44 Cb -0.69 0.49 -0.01 0.00 -0.57 0.00 0.00 34.95 34.17 1agd s ARG 44 CO 0.41 -0.44 1.26 -2.00 -1.08 0.00 0.00 175.30 173.45 1agd s GLU 45 N -3.06 4.23 0.04 3.89 2.56 -1.26 -4.55 118.70 120.56 1agd s GLU 45 Ca 0.00 1.66 0.07 0.00 0.00 0.00 0.00 54.97 56.71 1agd s GLU 45 Cb -0.01 -3.77 -0.02 0.00 2.00 0.00 0.00 34.13 32.33 1agd s GLU 45 CO -0.08 -0.71 -0.21 -1.83 -0.56 0.00 0.00 175.26 171.87 1agd s GLU 46 N 3.50 1.47 0.52 4.30 -1.05 -0.85 -4.90 118.70 121.69 1agd s GLU 46 Ca 0.55 -0.94 -0.22 0.00 -0.15 0.00 0.00 54.97 54.22 1agd s GLU 46 Cb -0.22 -1.57 -0.06 0.00 -0.44 0.00 0.00 34.13 31.85 1agd s GLU 46 CO 0.14 0.40 1.25 -1.25 0.95 0.00 0.00 175.26 176.76 1agd s PRO 47 N -1.10 3.34 0.00 -4.83 0.04 -1.26 -2.49 135.00 128.70 1agd s PRO 47 Ca 0.08 1.96 0.00 0.00 0.04 0.00 0.00 61.00 63.08 1agd s PRO 47 Cb -0.09 -2.24 0.00 0.00 0.04 0.00 0.00 34.50 32.21 1agd s PRO 47 CO 0.01 -0.94 0.29 0.54 0.04 0.00 0.00 177.00 176.94 1agd n ARG 48 N -0.94 0.11 -3.82 4.56 5.12 -0.37 -4.86 116.66 116.45 1agd n ARG 48 Ca 0.10 -0.33 -0.13 0.00 -1.93 0.00 0.00 57.85 55.56 1agd n ARG 48 Cb 0.47 -0.58 -0.15 0.00 -1.16 0.00 0.00 32.46 31.04 1agd n ARG 48 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1agd s ALA 49 N -0.07 -0.02 0.21 7.54 0.00 -1.22 -4.69 121.76 123.52 1agd s ALA 49 Ca 0.00 0.20 -0.09 0.00 0.00 0.00 0.00 51.96 52.07 1agd s ALA 49 Cb 0.00 -0.15 0.30 0.00 0.00 0.00 0.00 23.12 23.27 1agd s ALA 49 CO 0.00 -0.06 1.76 -1.35 0.00 0.00 0.00 175.76 176.11 1agd h PRO 50 N 6.65 0.46 0.00 0.00 0.11 -1.94 -2.73 132.00 134.54 1agd h PRO 50 Ca -0.34 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.74 1agd h PRO 50 Cb 1.17 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.18 1agd h PRO 50 CO 0.49 0.30 0.00 -2.67 -0.21 0.00 0.00 178.00 175.91 1agd n TRP 51 N -4.95 0.00 0.03 0.65 4.27 -1.26 -2.03 117.44 114.14 1agd n TRP 51 Ca 0.09 0.00 0.05 0.00 -3.89 0.00 0.00 57.50 53.76 1agd n TRP 51 Cb 0.28 -0.48 -0.09 0.00 -1.36 0.00 0.00 31.31 29.66 1agd n TRP 51 CO 0.00 0.00 0.00 1.51 -2.29 0.00 0.00 177.69 176.91 1agd n ILE 52 N -1.48 0.72 0.01 -1.67 0.13 -1.03 -4.43 119.36 111.61 1agd n ILE 52 Ca 0.01 -0.62 0.12 0.00 -1.10 0.00 0.00 62.75 61.16 1agd n ILE 52 Cb 0.05 -0.39 0.56 0.00 -0.84 0.00 0.00 39.64 39.02 1agd n ILE 52 CO 0.00 0.00 0.00 -0.33 2.80 0.00 0.00 176.55 179.02 1agd h GLU 53 N 0.00 0.25 0.00 9.51 5.08 -1.51 -1.40 114.58 126.51 1agd h GLU 53 Ca -0.12 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.23 1agd h GLU 53 Cb 1.33 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.53 1agd h GLU 53 CO 0.02 0.17 0.00 0.00 -1.00 0.00 0.00 179.01 178.19 1agd n GLN 54 N -4.46 0.20 -1.87 2.33 10.64 -1.26 -4.75 117.38 118.20 1agd n GLN 54 Ca 0.06 0.47 -0.41 0.00 -1.83 0.00 0.00 57.00 55.29 1agd n GLN 54 Cb 0.33 -1.91 -0.01 0.00 -0.86 0.00 0.00 30.24 27.79 1agd n GLN 54 CO 0.00 0.00 0.00 -2.00 -1.83 0.00 0.00 177.06 173.23 1agd s GLU 55 N -3.38 4.17 1.26 2.61 2.56 -0.53 -4.99 118.70 120.40 1agd s GLU 55 Ca 0.03 2.49 -0.20 0.00 0.00 0.00 0.00 54.97 57.29 1agd s GLU 55 Cb 0.09 -3.01 0.31 0.00 2.00 0.00 0.00 34.13 33.51 1agd s GLU 55 CO 0.37 -0.49 1.05 0.20 -0.56 0.00 0.00 175.26 175.82 1agd s GLY 56 N 0.01 1.53 0.18 -1.50 0.00 -1.26 -4.88 107.32 101.40 1agd s GLY 56 Ca 0.55 -0.84 -0.13 0.00 0.00 0.00 0.00 44.72 44.30 1agd s GLY 56 CO 0.56 0.06 1.83 -2.55 0.00 0.00 0.00 173.10 173.01 1agd h PRO 57 N -2.82 0.77 0.00 2.90 0.11 -1.97 -2.14 132.00 128.85 1agd h PRO 57 Ca -0.46 -0.05 -0.02 0.00 0.11 0.00 0.00 66.00 65.57 1agd h PRO 57 Cb 1.31 -0.17 -0.00 0.00 0.11 0.00 0.00 31.00 32.25 1agd h PRO 57 CO 0.34 0.52 -0.11 1.05 -0.21 0.00 0.00 178.00 179.60 1agd h GLU 58 N 0.78 0.00 -0.25 1.05 4.11 -1.99 -0.99 114.58 117.29 1agd h GLU 58 Ca 0.21 0.00 -0.04 0.00 0.07 0.00 0.00 59.36 59.60 1agd h GLU 58 Cb -0.06 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.18 1agd h GLU 58 CO -0.04 0.11 0.00 -0.92 0.07 0.00 0.00 179.01 178.23 1agd h TYR 59 N 0.00 0.48 -0.36 2.06 5.03 -1.74 -1.38 116.97 121.06 1agd h TYR 59 Ca -0.00 -0.08 -0.05 0.00 2.58 0.00 0.00 58.73 61.18 1agd h TYR 59 Cb 0.20 -0.12 -0.01 0.00 1.55 0.00 0.00 36.73 38.34 1agd h TYR 59 CO 0.00 0.60 0.02 -1.49 -1.32 0.00 0.00 178.16 175.97 1agd h TRP 60 N 0.21 0.67 -0.03 -3.82 4.06 -1.23 -2.35 115.95 113.45 1agd h TRP 60 Ca 0.07 -0.11 -0.00 0.00 2.06 0.00 0.00 58.89 60.91 1agd h TRP 60 Cb 0.41 -0.18 -0.00 0.00 -1.00 0.00 0.00 29.16 28.39 1agd h TRP 60 CO 0.03 0.70 0.02 -0.44 -3.56 0.00 0.00 178.44 175.19 1agd h ASP 61 N 0.44 0.04 -0.36 -3.49 3.32 -1.17 0.24 116.42 115.42 1agd h ASP 61 Ca 0.10 -0.08 0.03 0.00 0.02 0.00 0.00 57.03 57.10 1agd h ASP 61 Cb 0.42 -0.01 -0.03 0.00 0.22 0.00 0.00 39.33 39.93 1agd h ASP 61 CO 0.01 0.11 0.17 -0.09 -1.72 0.00 0.00 179.24 177.72 1agd h ARG 62 N -0.04 0.34 -0.06 3.56 2.43 -1.26 -0.68 114.38 118.67 1agd h ARG 62 Ca 0.01 -0.02 -0.11 0.00 -0.81 0.00 0.00 59.98 59.05 1agd h ARG 62 Cb 0.08 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.54 1agd h ARG 62 CO -0.00 0.22 -0.47 -0.91 -1.51 0.00 0.00 179.97 177.30 1agd h ASN 63 N 0.35 0.15 -0.62 -3.80 2.35 -1.27 -1.70 115.58 111.04 1agd h ASN 63 Ca 0.16 -0.07 -0.09 0.00 -0.55 0.00 0.00 56.30 55.75 1agd h ASN 63 Cb 0.08 -0.04 -0.02 0.00 0.05 0.00 0.00 38.32 38.39 1agd h ASN 63 CO -0.12 0.60 0.05 0.74 -1.65 0.00 0.00 177.43 177.05 1agd h THR 64 N 0.12 1.26 -0.59 2.81 2.02 -0.05 -2.25 112.91 116.23 1agd h THR 64 Ca 0.01 -1.09 -0.08 0.00 0.77 0.00 0.00 66.41 66.01 1agd h THR 64 Cb 0.87 0.75 -0.02 0.00 -1.74 0.00 0.00 68.15 68.02 1agd h THR 64 CO 0.07 0.40 0.04 1.56 0.37 0.00 0.00 175.52 177.96 1agd h GLN 65 N 0.96 1.01 -0.56 6.66 1.08 -0.67 -0.59 115.11 123.01 1agd h GLN 65 Ca 0.18 -0.30 0.06 0.00 -1.45 0.00 0.00 58.65 57.14 1agd h GLN 65 Cb 0.50 -0.10 -0.05 0.00 -0.05 0.00 0.00 27.48 27.78 1agd h GLN 65 CO 0.02 0.98 0.28 0.82 -0.95 0.00 0.00 178.83 179.98 1agd h ILE 66 N 0.91 0.93 -0.00 2.54 2.04 -1.11 -0.44 117.51 122.38 1agd h ILE 66 Ca 0.17 -0.18 -0.15 0.00 1.00 0.00 0.00 64.86 65.70 1agd h ILE 66 Cb 0.50 0.36 -0.02 0.00 -0.74 0.00 0.00 36.82 36.91 1agd h ILE 66 CO 0.02 0.10 -0.71 -0.26 0.00 0.00 0.00 178.15 177.30 1agd h PHE 67 N 0.52 0.02 -0.31 1.37 0.04 -1.14 -0.79 116.94 116.66 1agd h PHE 67 Ca 0.25 -0.01 -0.17 0.00 2.80 0.00 0.00 57.97 60.84 1agd h PHE 67 Cb 0.18 -0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.33 1agd h PHE 67 CO -0.11 0.71 -0.48 0.87 -0.60 0.00 0.00 178.31 178.70 1agd h LYS 68 N 0.01 0.85 0.00 1.51 1.57 -0.64 -1.81 116.57 118.06 1agd h LYS 68 Ca -0.01 -0.50 -0.19 0.00 -1.87 0.00 0.00 60.65 58.09 1agd h LYS 68 Cb 1.25 0.04 -0.02 0.00 0.08 0.00 0.00 32.23 33.59 1agd h LYS 68 CO 0.09 1.14 -0.86 1.15 -0.57 0.00 0.00 179.45 180.40 1agd h THR 69 N 0.67 1.55 0.00 -0.16 2.02 -1.02 -3.03 112.91 112.93 1agd h THR 69 Ca 0.03 -2.74 -0.08 0.00 0.77 0.00 0.00 66.41 64.40 1agd h THR 69 Cb 1.08 2.51 -0.01 0.00 -1.74 0.00 0.00 68.15 69.98 1agd h THR 69 CO 0.11 0.79 -0.36 0.78 0.37 0.00 0.00 175.52 177.21 1agd h ASN 70 N 0.05 0.00 -0.11 4.18 2.35 -1.01 -1.00 115.58 120.05 1agd h ASN 70 Ca -0.03 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.72 1agd h ASN 70 Cb 1.49 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.86 1agd h ASN 70 CO 0.12 0.36 0.05 0.74 -1.65 0.00 0.00 177.43 177.05 1agd h THR 71 N 0.00 1.12 -0.61 2.81 2.02 -1.21 -0.00 112.91 117.03 1agd h THR 71 Ca -0.00 -0.35 -0.06 0.00 0.77 0.00 0.00 66.41 66.77 1agd h THR 71 Cb 0.67 1.16 -0.03 0.00 -1.74 0.00 0.00 68.15 68.21 1agd h THR 71 CO 0.05 0.11 0.16 1.56 0.37 0.00 0.00 175.52 177.77 1agd h GLN 72 N 0.04 0.98 -0.35 6.66 1.08 -1.43 -0.95 115.11 121.14 1agd h GLN 72 Ca 0.04 -0.23 -0.02 0.00 -1.45 0.00 0.00 58.65 56.99 1agd h GLN 72 Cb 0.13 -0.13 -0.02 0.00 -0.05 0.00 0.00 27.48 27.41 1agd h GLN 72 CO -0.00 0.88 0.15 1.15 -0.95 0.00 0.00 178.83 180.06 1agd h THR 73 N 0.89 1.18 0.00 -0.54 2.02 -1.08 -1.46 112.91 113.92 1agd h THR 73 Ca 0.19 -0.54 -0.09 0.00 0.77 0.00 0.00 66.41 66.75 1agd h THR 73 Cb 0.33 0.89 -0.01 0.00 -1.74 0.00 0.00 68.15 67.62 1agd h THR 73 CO -0.00 0.19 -0.43 0.44 0.37 0.00 0.00 175.52 176.10 1agd h ASP 74 N 0.42 0.00 -0.28 4.18 5.19 -0.86 -0.86 116.42 124.21 1agd h ASP 74 Ca 0.12 0.00 -0.15 0.00 -0.62 0.00 0.00 57.03 56.38 1agd h ASP 74 Cb 0.16 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.67 1agd h ASP 74 CO -0.01 0.43 -0.39 0.03 -3.12 0.00 0.00 179.24 176.18 1agd h ARG 75 N 0.00 0.82 -0.04 3.56 3.08 -0.76 -1.33 114.38 119.70 1agd h ARG 75 Ca -0.00 -0.43 -0.12 0.00 0.07 0.00 0.00 59.98 59.50 1agd h ARG 75 Cb 0.81 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.86 1agd h ARG 75 CO 0.06 1.06 -0.52 0.93 -1.07 0.00 0.00 179.97 180.42 1agd h GLU 76 N 0.67 0.12 -0.10 0.04 5.08 -1.03 -2.73 114.58 116.62 1agd h GLU 76 Ca 0.06 -0.07 -0.02 0.00 -1.00 0.00 0.00 59.36 58.33 1agd h GLU 76 Cb 0.95 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 30.21 1agd h GLU 76 CO 0.09 0.61 -0.02 0.77 -1.00 0.00 0.00 179.01 179.47 1agd h SER 77 N 0.09 0.19 -0.67 1.42 0.02 -0.89 -2.01 113.55 111.71 1agd h SER 77 Ca -0.00 -0.35 0.07 0.00 -0.84 0.00 0.00 61.79 60.67 1agd h SER 77 Cb 0.96 -0.05 -0.04 0.00 0.14 0.00 0.00 62.40 63.40 1agd h SER 77 CO 0.07 0.50 0.44 -0.07 -1.14 0.00 0.00 176.83 176.64 1agd h LEU 78 N -0.11 0.58 -0.28 5.07 3.38 -1.17 0.21 115.31 122.99 1agd h LEU 78 Ca 0.03 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.96 1agd h LEU 78 Cb 0.41 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 1agd h LEU 78 CO 0.01 0.37 0.01 0.03 0.09 0.00 0.00 178.44 178.95 1agd h ARG 79 N 0.66 0.48 -0.41 1.13 3.08 -1.31 -1.85 114.38 116.16 1agd h ARG 79 Ca 0.29 -0.15 -0.03 0.00 0.07 0.00 0.00 59.98 60.16 1agd h ARG 79 Cb 0.30 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.28 1agd h ARG 79 CO -0.09 0.63 0.14 -0.91 -1.07 0.00 0.00 179.97 178.67 1agd h ASN 80 N 0.28 0.59 -0.88 7.04 2.35 -0.59 -2.84 115.58 121.54 1agd h ASN 80 Ca 0.08 -0.19 0.00 0.00 -0.55 0.00 0.00 56.30 55.64 1agd h ASN 80 Cb 0.41 -0.15 -0.04 0.00 0.05 0.00 0.00 38.32 38.58 1agd h ASN 80 CO 0.01 0.63 0.55 -0.07 -1.65 0.00 0.00 177.43 176.91 1agd h LEU 81 N 0.52 1.03 -0.39 1.61 4.07 -0.52 -0.42 115.31 121.22 1agd h LEU 81 Ca 0.13 -0.04 0.01 0.00 0.08 0.00 0.00 57.88 58.06 1agd h LEU 81 Cb 0.24 -0.26 -0.02 0.00 1.08 0.00 0.00 40.66 41.70 1agd h LEU 81 CO -0.01 0.77 0.25 -0.09 -1.08 0.00 0.00 178.44 178.28 1agd h ARG 82 N 1.20 0.49 -0.18 1.13 2.43 -1.19 -2.30 114.38 115.96 1agd h ARG 82 Ca 0.32 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.45 1agd h ARG 82 Cb -0.09 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.34 1agd h ARG 82 CO -0.06 0.33 0.07 0.78 -1.51 0.00 0.00 179.97 179.58 1agd h GLY 83 N 0.51 0.29 0.91 2.80 0.00 -1.11 0.89 103.07 107.36 1agd h GLY 83 Ca 0.15 -0.15 0.16 0.00 0.00 0.00 0.00 47.33 47.48 1agd h GLY 83 CO -0.05 0.14 0.39 -0.97 0.00 0.00 0.00 176.54 176.06 1agd h TYR 84 N 0.14 0.00 -0.47 5.60 0.05 -0.83 0.12 116.97 121.58 1agd h TYR 84 Ca 0.06 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.84 1agd h TYR 84 Cb 0.16 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.90 1agd h TYR 84 CO -0.02 0.00 0.00 0.66 -1.05 0.00 0.00 178.16 177.75 1agd n TYR 85 N -4.34 0.62 -3.28 4.88 4.01 -0.89 -4.77 117.16 113.38 1agd n TYR 85 Ca 0.10 -0.43 -0.24 0.00 -0.16 0.00 0.00 57.90 57.17 1agd n TYR 85 Cb 0.62 -0.01 0.03 0.00 -0.31 0.00 0.00 39.34 39.66 1agd n TYR 85 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 1agd n ASN 86 N 1.06 -5.31 -4.86 7.72 3.02 0.03 -4.96 115.26 111.95 1agd n ASN 86 Ca 0.17 -0.40 -0.31 0.00 -0.03 0.00 0.00 54.58 54.01 1agd n ASN 86 Cb 0.51 -4.29 -0.04 0.00 -0.61 0.00 0.00 39.78 35.35 1agd n ASN 86 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 1agd s GLN 87 N -5.96 3.86 0.67 3.52 -0.21 0.23 -5.02 119.66 116.75 1agd s GLN 87 Ca 0.40 0.58 -0.11 0.00 0.02 0.00 0.00 55.36 56.26 1agd s GLN 87 Cb -0.19 -2.37 -0.01 0.00 1.00 0.00 0.00 33.01 31.44 1agd s GLN 87 CO 0.50 -0.01 1.05 -1.54 -2.12 0.00 0.00 175.29 173.16 1agd s SER 88 N -2.91 5.64 0.00 5.90 1.04 -1.26 -4.75 113.70 117.36 1agd s SER 88 Ca 0.53 1.53 0.29 0.00 0.48 0.00 0.00 55.95 58.78 1agd s SER 88 Cb -0.10 -2.45 1.50 0.00 0.10 0.00 0.00 66.02 65.07 1agd s SER 88 CO 0.28 -1.27 2.01 -0.62 0.98 0.00 0.00 173.24 174.62 1agd n GLU 89 N -3.01 0.50 0.08 4.02 1.02 -1.26 -3.66 120.64 118.33 1agd n GLU 89 Ca 0.07 0.01 0.03 0.00 -0.02 0.00 0.00 57.16 57.25 1agd n GLU 89 Cb 0.54 -1.50 -0.02 0.00 -0.02 0.00 0.00 31.44 30.43 1agd n GLU 89 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1agd h ALA 90 N 3.44 0.65 -2.32 0.62 0.00 -1.98 -3.44 119.26 116.24 1agd h ALA 90 Ca 0.00 -0.55 -0.50 0.00 0.00 0.00 0.00 54.91 53.86 1agd h ALA 90 Cb 0.22 0.11 0.04 0.00 0.00 0.00 0.00 17.79 18.17 1agd h ALA 90 CO 0.00 0.64 0.22 0.20 0.00 0.00 0.00 179.25 180.31 1agd s GLY 91 N -4.60 1.58 -0.13 0.00 0.00 -1.24 -4.71 107.32 98.22 1agd s GLY 91 Ca 0.00 -0.34 -0.09 0.00 0.00 0.00 0.00 44.72 44.30 1agd s GLY 91 CO 0.78 -0.13 0.17 -0.45 0.00 0.00 0.00 173.10 173.47 1agd s SER 92 N -4.07 6.38 0.09 1.64 0.15 -1.26 -4.59 113.70 112.03 1agd s SER 92 Ca 0.50 0.45 0.02 0.00 0.70 0.00 0.00 55.95 57.62 1agd s SER 92 Cb -0.11 -2.10 -0.04 0.00 -1.71 0.00 0.00 66.02 62.07 1agd s SER 92 CO 0.47 0.33 -0.07 -1.00 1.20 0.00 0.00 173.24 174.17 1agd s HIS 93 N -0.59 0.89 -0.09 3.44 3.76 -1.26 -4.95 115.29 116.48 1agd s HIS 93 Ca 0.14 -0.84 0.03 0.00 -0.15 0.00 0.00 55.06 54.24 1agd s HIS 93 Cb -0.12 -0.51 0.01 0.00 1.11 0.00 0.00 32.58 33.07 1agd s HIS 93 CO 0.03 -0.12 -0.18 0.99 -0.85 0.00 0.00 174.74 174.60 1agd s THR 94 N -3.27 1.66 -0.22 1.30 2.01 -1.26 -0.79 115.64 115.07 1agd s THR 94 Ca 0.09 -0.77 -0.02 0.00 0.31 0.00 0.00 61.69 61.30 1agd s THR 94 Cb 0.03 -1.46 0.01 0.00 0.01 0.00 0.00 72.50 71.08 1agd s THR 94 CO -0.04 0.47 -0.09 -0.22 -0.69 0.00 0.00 174.62 174.05 1agd s LEU 95 N 0.58 2.76 0.03 4.42 2.96 0.36 -0.52 118.68 129.27 1agd s LEU 95 Ca -0.15 -0.61 0.05 0.00 -0.22 0.00 0.00 54.13 53.20 1agd s LEU 95 Cb -0.17 -1.64 -0.03 0.00 0.50 0.00 0.00 46.19 44.85 1agd s LEU 95 CO 0.05 -0.05 -0.10 -1.10 -1.32 0.00 0.00 176.35 173.84 1agd s GLN 96 N 1.38 2.36 0.06 1.98 -0.21 -0.33 -0.68 119.66 124.22 1agd s GLN 96 Ca 0.04 -0.84 0.04 0.00 0.02 0.00 0.00 55.36 54.62 1agd s GLN 96 Cb -0.15 -2.39 -0.03 0.00 1.00 0.00 0.00 33.01 31.44 1agd s GLN 96 CO -0.06 0.57 -0.12 -1.12 -2.12 0.00 0.00 175.29 172.44 1agd s SER 97 N -1.60 1.35 -0.03 5.90 0.01 -0.23 -1.23 113.70 117.85 1agd s SER 97 Ca 0.18 -0.57 -0.01 0.00 1.31 0.00 0.00 55.95 56.86 1agd s SER 97 Cb -0.11 -0.02 0.03 0.00 0.21 0.00 0.00 66.02 66.13 1agd s SER 97 CO 0.09 -0.11 0.04 -0.04 0.41 0.00 0.00 173.24 173.62 1agd s MET 98 N -1.59 0.04 -0.01 12.44 -1.94 -0.66 -0.92 119.30 126.65 1agd s MET 98 Ca -0.05 0.25 -0.10 0.00 -1.71 0.00 0.00 55.69 54.09 1agd s MET 98 Cb -0.10 -0.45 0.01 0.00 2.01 0.00 0.00 34.83 36.30 1agd s MET 98 CO 0.01 -0.25 0.21 1.52 -0.01 0.00 0.00 175.02 176.51 1agd s TYR 99 N 1.62 -0.07 -4.71 -0.03 -0.85 -1.03 -1.07 117.35 111.20 1agd s TYR 99 Ca -0.02 0.10 0.00 0.00 -0.52 0.00 0.00 57.07 56.63 1agd s TYR 99 Cb -0.13 0.02 0.00 0.00 0.38 0.00 0.00 41.96 42.23 1agd s TYR 99 CO -0.03 -0.30 0.00 0.41 -1.52 0.00 0.00 175.55 174.11 1agd n GLY 100 N 1.59 -1.56 3.03 5.49 0.00 -0.78 -0.85 105.19 112.11 1agd n GLY 100 Ca -0.21 -1.22 -0.08 0.00 0.00 0.00 0.00 46.02 44.51 1agd n GLY 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1agd s ASP 102 N -2.03 3.79 0.14 0.00 1.01 -0.09 -1.36 116.67 118.12 1agd s ASP 102 Ca -0.07 -0.31 0.08 0.00 0.71 0.00 0.00 52.55 52.96 1agd s ASP 102 Cb -0.03 -1.04 -0.04 0.00 1.01 0.00 0.00 42.92 42.82 1agd s ASP 102 CO -0.04 0.27 -0.19 0.68 0.21 0.00 0.00 175.17 176.10 1agd s VAL 103 N -0.30 1.74 0.87 -1.27 -7.23 0.51 -0.23 120.40 114.49 1agd s VAL 103 Ca 0.02 -1.75 -0.12 0.00 -1.81 0.00 0.00 61.98 58.32 1agd s VAL 103 Cb -0.13 -1.70 0.15 0.00 0.56 0.00 0.00 36.38 35.26 1agd s VAL 103 CO 0.03 -0.21 1.22 -0.83 -0.31 0.00 0.00 175.10 174.99 1agd s GLY 104 N -2.33 1.73 0.57 2.32 0.00 -0.01 -1.77 107.32 107.83 1agd s GLY 104 Ca 0.11 -1.14 0.28 0.00 0.00 0.00 0.00 44.72 43.98 1agd s GLY 104 CO 0.05 -0.49 1.96 -2.55 0.00 0.00 0.00 173.10 172.07 1agd h PRO 105 N -1.27 0.00 -0.31 2.90 0.11 -1.90 0.25 132.00 131.78 1agd h PRO 105 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 1agd h PRO 105 Cb 1.27 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.38 1agd h PRO 105 CO 0.46 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 177.85 1agd n ASP 106 N -3.97 2.05 0.00 -2.05 5.75 -1.26 -4.92 116.55 112.16 1agd n ASP 106 Ca 0.09 -1.88 0.00 0.00 -0.01 0.00 0.00 54.79 52.98 1agd n ASP 106 Cb 0.62 -0.20 0.00 0.00 -1.03 0.00 0.00 41.12 40.51 1agd n ASP 106 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1agd n GLY 107 N 1.16 0.56 3.82 6.12 0.00 0.87 -5.02 105.19 112.70 1agd n GLY 107 Ca 0.15 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.81 1agd n GLY 107 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1agd s ARG 108 N -0.10 4.21 0.06 1.61 0.52 -1.26 -4.70 118.95 119.28 1agd s ARG 108 Ca 0.00 0.82 -0.32 0.00 -0.52 0.00 0.00 55.73 55.71 1agd s ARG 108 Cb 0.00 -2.85 -0.11 0.00 0.52 0.00 0.00 34.95 32.51 1agd s ARG 108 CO 0.00 0.39 1.86 -0.11 0.02 0.00 0.00 175.30 177.46 1agd n LEU 109 N 0.65 3.88 -0.07 2.53 7.94 -1.26 -0.83 117.00 129.84 1agd n LEU 109 Ca -0.02 0.97 -0.21 0.00 -1.11 0.00 0.00 56.01 55.64 1agd n LEU 109 Cb 0.51 -1.50 -0.13 0.00 0.53 0.00 0.00 43.42 42.84 1agd n LEU 109 CO 0.43 0.10 -1.07 0.18 -1.11 0.00 0.00 177.39 175.92 1agd n LEU 110 N 6.16 2.67 -3.61 -1.96 4.77 0.67 -4.87 117.00 120.84 1agd n LEU 110 Ca 0.19 0.09 -0.06 0.00 -0.03 0.00 0.00 56.01 56.21 1agd n LEU 110 Cb 0.36 -1.00 -0.04 0.00 -2.33 0.00 0.00 43.42 40.41 1agd n LEU 110 CO 0.68 0.83 0.99 0.00 -1.33 0.00 0.00 177.39 178.55 1agd s ARG 111 N -2.52 0.31 0.24 3.23 1.70 -1.15 -5.00 118.95 115.76 1agd s ARG 111 Ca -0.30 0.04 0.07 0.00 -0.47 0.00 0.00 55.73 55.08 1agd s ARG 111 Cb 0.08 0.14 -0.04 0.00 -0.57 0.00 0.00 34.95 34.57 1agd s ARG 111 CO 0.66 -0.10 0.14 0.20 -1.08 0.00 0.00 175.30 175.12 1agd s GLY 112 N -1.24 1.49 -0.02 3.88 0.00 -1.26 -0.92 107.32 109.25 1agd s GLY 112 Ca 0.05 -1.45 -0.02 0.00 0.00 0.00 0.00 44.72 43.30 1agd s GLY 112 CO -0.04 -1.49 0.06 0.30 0.00 0.00 0.00 173.10 171.93 1agd s HIS 113 N -2.13 -0.03 -0.32 1.90 0.09 0.15 -4.83 115.29 110.12 1agd s HIS 113 Ca 0.32 0.09 0.03 0.00 -0.00 0.00 0.00 55.06 55.51 1agd s HIS 113 Cb -0.08 0.00 0.19 0.00 -0.00 0.00 0.00 32.58 32.70 1agd s HIS 113 CO 0.24 -0.06 0.68 1.21 -0.00 0.00 0.00 174.74 176.81 1agd s ASN 114 N -0.17 -1.39 0.08 1.40 2.47 -1.25 -1.87 114.94 114.21 1agd s ASN 114 Ca -0.02 -0.08 -0.01 0.00 0.42 0.00 0.00 52.86 53.17 1agd s ASN 114 Cb -0.02 1.84 -0.04 0.00 -1.45 0.00 0.00 41.25 41.58 1agd s ASN 114 CO 0.00 -0.23 -0.01 0.00 -3.72 0.00 0.00 177.10 173.14 1agd s GLN 115 N 2.56 0.72 0.09 0.43 -2.07 -0.23 -0.60 119.66 120.56 1agd s GLN 115 Ca 0.14 -1.29 0.03 0.00 -1.82 0.00 0.00 55.36 52.41 1agd s GLN 115 Cb -0.07 0.17 -0.04 0.00 -1.09 0.00 0.00 33.01 31.99 1agd s GLN 115 CO -0.20 -0.14 -0.08 0.71 -1.32 0.00 0.00 175.29 174.26 1agd s TYR 116 N -3.92 0.92 -0.01 9.60 1.51 0.06 -1.65 117.35 123.86 1agd s TYR 116 Ca 0.12 -0.75 -0.00 0.00 -1.01 0.00 0.00 57.07 55.43 1agd s TYR 116 Cb 0.08 -0.52 0.01 0.00 -0.11 0.00 0.00 41.96 41.42 1agd s TYR 116 CO -0.06 -0.08 0.02 0.00 -1.11 0.00 0.00 175.55 174.31 1agd s ALA 117 N -2.82 0.01 -0.19 3.71 0.00 -0.37 -1.09 121.76 121.00 1agd s ALA 117 Ca 0.06 0.12 -0.01 0.00 0.00 0.00 0.00 51.96 52.12 1agd s ALA 117 Cb -0.00 -0.09 0.00 0.00 0.00 0.00 0.00 23.12 23.03 1agd s ALA 117 CO -0.02 -0.04 -0.12 -0.47 0.00 0.00 0.00 175.76 175.11 1agd s TYR 118 N 0.34 2.86 -1.46 0.00 5.04 0.26 -1.18 117.35 123.21 1agd s TYR 118 Ca -0.03 -1.22 -0.07 0.00 -2.44 0.00 0.00 57.07 53.30 1agd s TYR 118 Cb -0.04 -2.00 0.03 0.00 0.35 0.00 0.00 41.96 40.30 1agd s TYR 118 CO -0.01 -0.64 0.68 -0.25 -1.34 0.00 0.00 175.55 173.99 1agd n ASP 119 N 4.61 -5.38 0.00 4.32 8.00 0.32 -1.76 116.55 126.66 1agd n ASP 119 Ca -0.19 -0.39 0.00 0.00 0.71 0.00 0.00 54.79 54.91 1agd n ASP 119 Cb 0.51 -4.34 0.00 0.00 -0.02 0.00 0.00 41.12 37.26 1agd n ASP 119 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1agd n GLY 120 N -1.50 0.85 3.46 0.44 0.00 -1.26 -5.03 105.19 102.15 1agd n GLY 120 Ca -0.06 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.63 1agd n GLY 120 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1agd s LYS 121 N -0.29 2.76 0.27 1.61 1.02 -0.72 -5.07 119.74 119.31 1agd s LYS 121 Ca 0.00 -0.68 -0.30 0.00 0.02 0.00 0.00 55.97 55.01 1agd s LYS 121 Cb 0.00 -2.46 -0.13 0.00 -0.52 0.00 0.00 37.83 34.72 1agd s LYS 121 CO 0.00 0.52 1.45 -0.25 -0.92 0.00 0.00 175.35 176.15 1agd n ASP 122 N 2.62 3.12 0.00 2.83 8.00 -1.26 -0.57 116.55 131.29 1agd n ASP 122 Ca -0.17 1.15 -0.03 0.00 0.71 0.00 0.00 54.79 56.45 1agd n ASP 122 Cb 0.52 -1.49 -0.01 0.00 -0.02 0.00 0.00 41.12 40.12 1agd n ASP 122 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1agd n TYR 123 N 1.76 0.00 -3.74 1.24 9.36 -0.25 -4.68 117.16 120.84 1agd n TYR 123 Ca 0.10 0.00 -0.13 0.00 3.32 0.00 0.00 57.90 61.18 1agd n TYR 123 Cb 0.34 -0.17 -0.08 0.00 -0.63 0.00 0.00 39.34 38.80 1agd n TYR 123 CO 0.00 0.00 0.00 -1.50 0.22 0.00 0.00 176.86 175.58 1agd s ILE 124 N -2.30 0.06 -0.05 2.97 2.07 -1.19 -1.18 121.20 121.58 1agd s ILE 124 Ca -0.10 -0.48 -0.07 0.00 -1.41 0.00 0.00 60.65 58.59 1agd s ILE 124 Cb 0.01 -0.69 0.01 0.00 0.13 0.00 0.00 42.46 41.92 1agd s ILE 124 CO 0.14 -0.26 0.18 0.00 -1.91 0.00 0.00 174.94 173.09 1agd s ALA 125 N -1.54 -0.44 -0.02 1.50 0.00 -0.57 -0.76 121.76 119.93 1agd s ALA 125 Ca -0.12 0.33 -0.30 0.00 0.00 0.00 0.00 51.96 51.87 1agd s ALA 125 Cb -0.04 -0.17 -0.03 0.00 0.00 0.00 0.00 23.12 22.87 1agd s ALA 125 CO 0.03 -0.13 1.08 -1.17 0.00 0.00 0.00 175.76 175.58 1agd s LEU 126 N -0.40 4.32 0.94 0.00 2.96 0.23 -1.54 118.68 125.19 1agd s LEU 126 Ca -0.05 1.74 -0.12 0.00 -0.22 0.00 0.00 54.13 55.49 1agd s LEU 126 Cb -0.03 -3.57 0.16 0.00 0.50 0.00 0.00 46.19 43.25 1agd s LEU 126 CO 0.01 -0.42 1.09 0.20 -1.32 0.00 0.00 176.35 175.90 1agd s ASN 127 N 1.15 3.02 0.58 3.68 0.01 0.43 -4.59 114.94 119.22 1agd s ASN 127 Ca 0.53 1.54 0.28 0.00 -0.71 0.00 0.00 52.86 54.50 1agd s ASN 127 Cb -0.23 -2.20 1.73 0.00 0.41 0.00 0.00 41.25 40.96 1agd s ASN 127 CO 0.25 -2.93 2.21 -0.08 -1.51 0.00 0.00 177.10 175.03 1agd h GLU 128 N -1.75 0.00 0.00 -0.60 4.81 -1.88 0.65 114.58 115.81 1agd h GLU 128 Ca -0.51 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.72 1agd h GLU 128 Cb 1.29 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.67 1agd h GLU 128 CO 0.53 0.00 0.00 -0.40 -0.73 0.00 0.00 179.01 178.41 1agd n ASP 129 N -3.90 0.28 -2.30 1.04 5.68 -1.26 -4.76 116.55 111.33 1agd n ASP 129 Ca -0.02 0.58 -0.20 0.00 -0.50 0.00 0.00 54.79 54.65 1agd n ASP 129 Cb 0.15 -0.64 -0.02 0.00 -1.14 0.00 0.00 41.12 39.47 1agd n ASP 129 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 1agd n LEU 130 N -1.82 -1.81 0.00 -2.12 4.77 0.22 -4.80 117.00 111.43 1agd n LEU 130 Ca 0.02 0.07 0.00 0.00 -0.03 0.00 0.00 56.01 56.07 1agd n LEU 130 Cb 0.16 -2.85 0.00 0.00 -2.33 0.00 0.00 43.42 38.40 1agd n LEU 130 CO 0.14 -0.32 -0.16 0.54 -1.33 0.00 0.00 177.39 176.26 1agd n ARG 131 N -2.91 2.14 -4.47 3.23 1.74 -1.26 -4.56 116.66 110.57 1agd n ARG 131 Ca -0.23 0.00 -0.22 0.00 -0.77 0.00 0.00 57.85 56.62 1agd n ARG 131 Cb 0.68 -0.66 -0.11 0.00 -1.02 0.00 0.00 32.46 31.35 1agd n ARG 131 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1agd s SER 132 N -1.35 2.64 0.18 0.55 1.04 -1.26 -4.90 113.70 110.59 1agd s SER 132 Ca 0.00 -1.34 0.10 0.00 0.48 0.00 0.00 55.95 55.19 1agd s SER 132 Cb 0.00 -0.14 -0.04 0.00 0.10 0.00 0.00 66.02 65.94 1agd s SER 132 CO 0.00 -0.54 -0.22 0.26 0.98 0.00 0.00 173.24 173.71 1agd s TRP 133 N -3.17 2.13 -0.19 5.02 0.52 -1.26 -0.43 118.94 121.56 1agd s TRP 133 Ca 0.35 -0.39 0.01 0.00 0.02 0.00 0.00 56.10 56.08 1agd s TRP 133 Cb 0.08 -1.07 0.02 0.00 -1.15 0.00 0.00 33.47 31.35 1agd s TRP 133 CO 0.15 0.42 -0.18 0.99 0.02 0.00 0.00 176.95 178.35 1agd s THR 134 N -1.71 2.14 -0.14 2.01 2.01 -0.59 -4.89 115.64 114.48 1agd s THR 134 Ca 0.18 -0.96 -0.06 0.00 0.31 0.00 0.00 61.69 61.16 1agd s THR 134 Cb -0.08 -1.93 -0.04 0.00 0.01 0.00 0.00 72.50 70.47 1agd s THR 134 CO 0.08 0.49 0.07 0.00 -0.69 0.00 0.00 174.62 174.57 1agd s ALA 135 N 1.29 3.50 -0.25 7.40 0.00 -1.26 -1.51 121.76 130.93 1agd s ALA 135 Ca 0.04 -0.73 0.24 0.00 0.00 0.00 0.00 51.96 51.51 1agd s ALA 135 Cb -0.14 -1.80 0.55 0.00 0.00 0.00 0.00 23.12 21.73 1agd s ALA 135 CO -0.12 0.42 1.68 0.00 0.00 0.00 0.00 175.76 177.74 1agd h ALA 136 N 5.76 0.96 -2.39 0.00 0.00 -1.42 -3.47 119.26 118.69 1agd h ALA 136 Ca -0.46 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.37 1agd h ALA 136 Cb 1.19 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1agd h ALA 136 CO 0.62 0.11 0.15 -0.40 0.00 0.00 0.00 179.25 179.73 1agd n ASP 137 N -3.14 -1.01 0.26 0.00 5.68 -1.26 -5.02 116.55 112.06 1agd n ASP 137 Ca 0.03 -1.68 0.13 0.00 -0.50 0.00 0.00 54.79 52.77 1agd n ASP 137 Cb 0.51 1.68 0.68 0.00 -1.14 0.00 0.00 41.12 42.84 1agd n ASP 137 CO 0.00 0.00 0.00 0.71 -1.33 0.00 0.00 177.20 176.58 1agd h THR 138 N 1.45 0.45 -0.02 2.12 1.35 -1.99 -1.51 112.91 114.76 1agd h THR 138 Ca -0.15 -0.67 -0.04 0.00 -0.55 0.00 0.00 66.41 65.00 1agd h THR 138 Cb 0.56 1.47 0.00 0.00 -1.73 0.00 0.00 68.15 68.45 1agd h THR 138 CO 0.19 0.13 -0.15 0.00 -0.25 0.00 0.00 175.52 175.43 1agd h ALA 139 N 1.87 0.05 0.00 6.62 0.00 -1.96 -3.12 119.26 122.72 1agd h ALA 139 Ca -0.00 -0.40 -0.01 0.00 0.00 0.00 0.00 54.91 54.50 1agd h ALA 139 Cb 0.46 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.25 1agd h ALA 139 CO 0.02 0.00 -0.05 0.00 0.00 0.00 0.00 179.25 179.21 1agd h ALA 140 N 0.34 1.55 0.00 0.00 0.00 -1.73 -0.76 119.26 118.66 1agd h ALA 140 Ca -0.01 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.80 1agd h ALA 140 Cb 0.84 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 1agd h ALA 140 CO 0.03 0.07 -0.23 1.96 0.00 0.00 0.00 179.25 181.08 1agd h GLN 141 N 0.00 0.00 -0.08 0.00 4.20 -1.23 0.83 115.11 118.83 1agd h GLN 141 Ca -0.00 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.69 1agd h GLN 141 Cb 0.13 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.90 1agd h GLN 141 CO 0.01 0.23 -0.02 0.82 -0.67 0.00 0.00 178.83 179.20 1agd h ILE 142 N 0.00 1.29 -0.41 2.54 1.08 -1.12 -0.58 117.51 120.30 1agd h ILE 142 Ca -0.00 -0.91 0.04 0.00 -0.39 0.00 0.00 64.86 63.59 1agd h ILE 142 Cb 0.45 1.74 -0.04 0.00 -3.07 0.00 0.00 36.82 35.90 1agd h ILE 142 CO 0.03 0.25 0.19 0.74 -0.69 0.00 0.00 178.15 178.67 1agd h THR 143 N -0.18 0.95 -0.47 -0.27 2.02 -1.37 -1.97 112.91 111.63 1agd h THR 143 Ca 0.02 -0.13 0.06 0.00 0.77 0.00 0.00 66.41 67.13 1agd h THR 143 Cb 0.41 0.53 -0.05 0.00 -1.74 0.00 0.00 68.15 67.30 1agd h THR 143 CO 0.01 0.07 0.16 -0.61 0.37 0.00 0.00 175.52 175.52 1agd h GLN 144 N 0.38 0.32 -0.80 6.66 4.15 -0.68 0.68 115.11 125.83 1agd h GLN 144 Ca 0.18 -0.02 0.01 0.00 0.77 0.00 0.00 58.65 59.59 1agd h GLN 144 Cb 0.11 -0.07 -0.04 0.00 0.21 0.00 0.00 27.48 27.68 1agd h GLN 144 CO -0.14 0.22 0.53 0.00 -1.93 0.00 0.00 178.83 177.50 1agd h ARG 145 N 0.33 1.03 -0.48 1.69 3.08 -0.75 0.42 114.38 119.71 1agd h ARG 145 Ca 0.22 -0.06 -0.08 0.00 0.07 0.00 0.00 59.98 60.13 1agd h ARG 145 Cb 0.22 -0.23 -0.02 0.00 0.08 0.00 0.00 29.97 30.03 1agd h ARG 145 CO -0.23 0.68 -0.03 0.87 -1.07 0.00 0.00 179.97 180.20 1agd h LYS 146 N 1.06 0.86 -0.47 0.04 1.57 -0.65 -1.54 116.57 117.44 1agd h LYS 146 Ca 0.30 -0.29 -0.09 0.00 -1.87 0.00 0.00 60.65 58.71 1agd h LYS 146 Cb -0.09 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.14 1agd h LYS 146 CO -0.08 0.92 -0.05 -1.49 -0.57 0.00 0.00 179.45 178.18 1agd h TRP 147 N 0.71 0.96 -0.47 -1.35 4.06 -0.43 -1.98 115.95 117.44 1agd h TRP 147 Ca 0.13 -0.18 -0.01 0.00 2.06 0.00 0.00 58.89 60.89 1agd h TRP 147 Cb 0.55 -0.24 -0.02 0.00 -1.00 0.00 0.00 29.16 28.44 1agd h TRP 147 CO 0.04 0.92 0.27 0.93 -3.56 0.00 0.00 178.44 177.05 1agd h GLU 148 N 0.72 0.65 -0.79 0.49 5.08 -0.84 -0.17 114.58 119.72 1agd h GLU 148 Ca 0.13 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.41 1agd h GLU 148 Cb 0.57 -0.13 -0.04 0.00 0.50 0.00 0.00 28.75 29.65 1agd h GLU 148 CO 0.03 0.50 0.46 0.00 -1.00 0.00 0.00 179.01 179.00 1agd h ALA 149 N 1.12 1.01 -0.09 3.43 0.00 -1.18 -2.18 119.26 121.36 1agd h ALA 149 Ca 0.17 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1agd h ALA 149 Cb 0.02 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.50 1agd h ALA 149 CO -0.03 0.49 0.00 0.00 0.00 0.00 0.00 179.25 179.71 1agd n ALA 150 N -2.36 2.56 -3.67 0.00 0.00 -0.76 -4.94 120.51 111.34 1agd n ALA 150 Ca 0.08 -0.45 -0.22 0.00 0.00 0.00 0.00 53.44 52.84 1agd n ALA 150 Cb 0.07 -1.15 0.04 0.00 0.00 0.00 0.00 19.45 18.40 1agd n ALA 150 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1agd n ARG 151 N 0.11 -4.09 -0.04 0.00 1.74 -0.18 -4.90 116.66 109.30 1agd n ARG 151 Ca 0.17 0.61 -0.16 0.00 -0.77 0.00 0.00 57.85 57.70 1agd n ARG 151 Cb 0.31 -5.05 -0.07 0.00 -1.02 0.00 0.00 32.46 26.63 1agd n ARG 151 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 1agd h VAL 152 N -1.80 1.30 -0.97 1.55 2.07 -1.53 -3.20 116.25 113.66 1agd h VAL 152 Ca -0.62 -1.84 0.19 0.00 0.82 0.00 0.00 66.70 65.25 1agd h VAL 152 Cb 1.36 1.91 -0.09 0.00 -1.52 0.00 0.00 31.29 32.94 1agd h VAL 152 CO 0.54 0.58 0.61 0.00 0.02 0.00 0.00 177.57 179.33 1agd h ALA 153 N 0.58 1.86 -0.52 1.67 0.00 -1.91 0.15 119.26 121.09 1agd h ALA 153 Ca -0.03 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 1agd h ALA 153 Cb 1.25 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.94 1agd h ALA 153 CO 0.13 -0.19 0.26 0.93 0.00 0.00 0.00 179.25 180.39 1agd h GLU 154 N 0.66 0.72 -0.07 0.00 3.07 -1.82 0.29 114.58 117.42 1agd h GLU 154 Ca 0.53 -0.08 -0.05 0.00 -0.50 0.00 0.00 59.36 59.27 1agd h GLU 154 Cb 0.96 -0.14 0.00 0.00 -0.84 0.00 0.00 28.75 28.73 1agd h GLU 154 CO -0.29 0.55 -0.13 1.96 -1.40 0.00 0.00 179.01 179.69 1agd h GLN 155 N 0.72 0.21 -0.59 2.33 1.08 -0.83 -2.22 115.11 115.82 1agd h GLN 155 Ca 0.18 -0.14 -0.00 0.00 -1.45 0.00 0.00 58.65 57.24 1agd h GLN 155 Cb 0.06 0.02 -0.03 0.00 -0.05 0.00 0.00 27.48 27.47 1agd h GLN 155 CO -0.03 0.72 0.36 -0.44 -0.95 0.00 0.00 178.83 178.49 1agd h ASP 156 N -0.27 0.70 -0.35 1.46 3.32 -0.98 -1.82 116.42 118.47 1agd h ASP 156 Ca 0.00 -0.06 0.01 0.00 0.02 0.00 0.00 57.03 57.01 1agd h ASP 156 Cb 0.72 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 40.07 1agd h ASP 156 CO 0.03 0.55 0.21 -0.09 -1.72 0.00 0.00 179.24 178.22 1agd h ARG 157 N 0.79 0.42 -0.69 3.56 2.43 -0.46 0.15 114.38 120.58 1agd h ARG 157 Ca 0.21 -0.03 0.03 0.00 -0.81 0.00 0.00 59.98 59.39 1agd h ARG 157 Cb -0.02 -0.09 -0.04 0.00 -0.42 0.00 0.00 29.97 29.39 1agd h ARG 157 CO -0.04 0.28 0.45 0.00 -1.51 0.00 0.00 179.97 179.15 1agd h ALA 158 N 1.15 1.61 0.03 2.80 0.00 -1.03 -0.76 119.26 123.06 1agd h ALA 158 Ca 0.14 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 1agd h ALA 158 Cb -0.00 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.56 1agd h ALA 158 CO -0.06 0.32 -0.02 -0.92 0.00 0.00 0.00 179.25 178.57 1agd h TYR 159 N 0.83 -0.04 -0.27 0.00 3.20 -0.45 -1.45 116.97 118.78 1agd h TYR 159 Ca 0.27 -0.00 -0.02 0.00 3.14 0.00 0.00 58.73 62.13 1agd h TYR 159 Cb 0.07 0.01 -0.01 0.00 1.54 0.00 0.00 36.73 38.34 1agd h TYR 159 CO -0.00 0.50 0.10 -0.07 -1.64 0.00 0.00 178.16 177.04 1agd h LEU 160 N -0.61 0.33 0.00 2.82 3.38 -0.37 0.78 115.31 121.64 1agd h LEU 160 Ca -0.00 -0.03 -0.18 0.00 0.09 0.00 0.00 57.88 57.76 1agd h LEU 160 Cb 0.56 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 41.19 1agd h LEU 160 CO 0.01 0.32 -1.51 -0.62 0.09 0.00 0.00 178.44 176.73 1agd n GLU 161 N -4.42 0.63 0.00 1.13 1.02 -0.33 -4.05 120.64 114.63 1agd n GLU 161 Ca 0.01 0.20 0.00 0.00 -0.02 0.00 0.00 57.16 57.35 1agd n GLU 161 Cb 0.14 -1.78 0.00 0.00 -0.02 0.00 0.00 31.44 29.77 1agd n GLU 161 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1agd n GLY 162 N 1.42 -0.02 0.29 0.62 0.00 -0.55 -4.63 105.19 102.33 1agd n GLY 162 Ca -0.11 0.00 0.07 0.00 0.00 0.00 0.00 46.02 45.98 1agd n GLY 162 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1agd h THR 163 N 0.00 0.31 -0.04 2.61 2.02 -1.59 -1.15 112.91 115.06 1agd h THR 163 Ca 0.00 -0.04 -0.00 0.00 0.77 0.00 0.00 66.41 67.14 1agd h THR 163 Cb 0.00 0.18 -0.00 0.00 -1.74 0.00 0.00 68.15 66.59 1agd h THR 163 CO 0.00 0.02 0.02 0.00 0.37 0.00 0.00 175.52 175.93 1agd h VAL 165 N -0.02 1.27 -0.47 0.00 2.07 -1.56 -1.08 116.25 116.46 1agd h VAL 165 Ca 0.01 -1.14 -0.04 0.00 0.82 0.00 0.00 66.70 66.36 1agd h VAL 165 Cb 0.08 0.85 -0.02 0.00 -1.52 0.00 0.00 31.29 30.68 1agd h VAL 165 CO -0.00 0.41 0.15 -0.33 0.02 0.00 0.00 177.57 177.82 1agd h GLU 166 N 0.91 0.73 -0.22 1.57 5.08 -1.15 -1.21 114.58 120.29 1agd h GLU 166 Ca 0.16 -0.15 -0.20 0.00 -1.00 0.00 0.00 59.36 58.17 1agd h GLU 166 Cb 0.55 -0.11 0.01 0.00 0.50 0.00 0.00 28.75 29.70 1agd h GLU 166 CO 0.03 0.69 -0.64 -1.49 -1.00 0.00 0.00 179.01 176.60 1agd h TRP 167 N 0.62 1.07 -0.48 4.33 4.06 -1.22 -2.32 115.95 122.01 1agd h TRP 167 Ca 0.15 -0.42 0.01 0.00 2.06 0.00 0.00 58.89 60.69 1agd h TRP 167 Cb 0.26 -0.18 -0.03 0.00 -1.00 0.00 0.00 29.16 28.21 1agd h TRP 167 CO 0.01 1.25 0.31 1.25 -3.56 0.00 0.00 178.44 177.71 1agd h LEU 168 N 0.58 0.54 -1.27 -4.49 5.85 -1.10 0.22 115.31 115.65 1agd h LEU 168 Ca -0.02 -0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.69 1agd h LEU 168 Cb 1.26 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 42.12 1agd h LEU 168 CO 0.14 0.39 0.40 0.03 -0.34 0.00 0.00 178.44 179.06 1agd h ARG 169 N 0.64 0.90 -0.17 1.25 3.08 -1.21 0.09 114.38 118.95 1agd h ARG 169 Ca 0.18 -0.07 -0.09 0.00 0.07 0.00 0.00 59.98 60.07 1agd h ARG 169 Cb -0.06 -0.19 -0.00 0.00 0.08 0.00 0.00 29.97 29.80 1agd h ARG 169 CO -0.05 0.63 -0.23 -0.09 -1.07 0.00 0.00 179.97 179.16 1agd h ARG 170 N 0.92 0.46 -0.70 0.04 2.43 -0.76 -2.83 114.38 113.94 1agd h ARG 170 Ca 0.24 -0.27 -0.00 0.00 -0.81 0.00 0.00 59.98 59.14 1agd h ARG 170 Cb -0.04 0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 29.50 1agd h ARG 170 CO -0.05 0.85 0.43 1.88 -1.51 0.00 0.00 179.97 181.58 1agd h TYR 171 N 0.11 0.91 -0.58 2.20 0.05 -0.15 -1.34 116.97 118.17 1agd h TYR 171 Ca 0.02 0.00 -0.02 0.00 0.05 0.00 0.00 58.73 58.78 1agd h TYR 171 Cb 0.80 -0.30 -0.03 0.00 1.01 0.00 0.00 36.73 38.21 1agd h TYR 171 CO 0.09 0.61 0.28 -0.07 -1.05 0.00 0.00 178.16 178.02 1agd h LEU 172 N 0.95 0.73 -0.12 3.88 3.38 -1.00 -0.22 115.31 122.91 1agd h LEU 172 Ca 0.25 -0.07 -0.21 0.00 0.09 0.00 0.00 57.88 57.94 1agd h LEU 172 Cb -0.05 -0.19 0.01 0.00 0.09 0.00 0.00 40.66 40.53 1agd h LEU 172 CO -0.05 0.62 -0.76 -0.08 0.09 0.00 0.00 178.44 178.26 1agd h GLU 173 N 0.81 0.73 0.00 1.13 4.57 -1.20 -1.83 114.58 118.80 1agd h GLU 173 Ca 0.20 -0.62 -0.10 0.00 -1.18 0.00 0.00 59.36 57.66 1agd h GLU 173 Cb 0.08 0.14 -0.01 0.00 -0.16 0.00 0.00 28.75 28.79 1agd h GLU 173 CO -0.03 1.23 -0.48 -0.91 -1.18 0.00 0.00 179.01 177.64 1agd h ASN 174 N 0.43 0.00 -0.27 1.04 -0.26 -1.02 -3.23 115.58 112.27 1agd h ASN 174 Ca -0.06 0.00 -0.18 0.00 -0.56 0.00 0.00 56.30 55.50 1agd h ASN 174 Cb 1.40 0.00 -0.12 0.00 -1.06 0.00 0.00 38.32 38.53 1agd h ASN 174 CO 0.16 0.48 -0.43 0.61 -1.06 0.00 0.00 177.43 177.18 1agd n GLY 175 N -0.09 5.38 0.34 2.83 0.00 -0.12 -4.82 105.19 108.71 1agd n GLY 175 Ca -0.01 -1.60 0.16 0.00 0.00 0.00 0.00 46.02 44.56 1agd n GLY 175 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1agd h LYS 176 N 1.27 0.06 0.00 1.61 2.10 -1.35 0.18 116.57 120.45 1agd h LYS 176 Ca 0.15 -0.00 -0.03 0.00 -2.00 0.00 0.00 60.65 58.77 1agd h LYS 176 Cb 1.27 -0.01 -0.00 0.00 -0.90 0.00 0.00 32.23 32.58 1agd h LYS 176 CO 0.29 0.04 -0.12 -0.44 -2.00 0.00 0.00 179.45 177.22 1agd h ASP 177 N 0.06 0.00 0.00 7.07 5.19 -1.87 -2.70 116.42 124.17 1agd h ASP 177 Ca 0.19 0.00 -0.16 0.00 -0.62 0.00 0.00 57.03 56.44 1agd h ASP 177 Cb 0.66 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 40.15 1agd h ASP 177 CO -0.01 0.12 -1.49 0.35 -3.12 0.00 0.00 179.24 175.09 1agd n THR 178 N -4.29 0.60 -0.35 0.35 -2.24 -0.88 -4.41 114.28 103.07 1agd n THR 178 Ca -0.03 -0.11 0.02 0.00 -2.27 0.00 0.00 64.05 61.66 1agd n THR 178 Cb 0.20 -1.65 0.19 0.00 -2.10 0.00 0.00 70.33 66.96 1agd n THR 178 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 1agd h LEU 179 N -0.36 1.02 -2.10 3.22 3.38 -0.79 -1.62 115.31 118.05 1agd h LEU 179 Ca -0.24 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.73 1agd h LEU 179 Cb 1.17 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.70 1agd h LEU 179 CO -0.15 0.67 0.00 -0.62 0.09 0.00 0.00 178.44 178.43 1agd n GLU 180 N -4.47 2.57 -3.99 1.13 -0.58 -1.02 -4.86 120.64 109.42 1agd n GLU 180 Ca 0.14 -1.92 -0.35 0.00 -0.42 0.00 0.00 57.16 54.61 1agd n GLU 180 Cb 0.15 -1.56 -0.14 0.00 -0.57 0.00 0.00 31.44 29.33 1agd n GLU 180 CO 0.00 0.00 0.00 0.50 -0.48 0.00 0.00 177.13 177.15 1agd s ARG 181 N -1.55 3.42 -0.18 3.49 3.52 -0.61 -5.00 118.95 122.03 1agd s ARG 181 Ca 0.35 -0.61 -0.13 0.00 -0.13 0.00 0.00 55.73 55.21 1agd s ARG 181 Cb 0.21 -3.00 -0.05 0.00 -1.56 0.00 0.00 34.95 30.55 1agd s ARG 181 CO 0.20 -0.14 0.26 0.00 -0.81 0.00 0.00 175.30 174.81 1agd s ALA 182 N 1.33 3.61 -0.27 6.12 0.00 -1.26 -4.77 121.76 126.52 1agd s ALA 182 Ca 0.04 -0.56 -0.10 0.00 0.00 0.00 0.00 51.96 51.34 1agd s ALA 182 Cb -0.14 -2.37 -0.05 0.00 0.00 0.00 0.00 23.12 20.56 1agd s ALA 182 CO -0.02 0.02 0.16 -0.51 0.00 0.00 0.00 175.76 175.41 1agd s ASP 183 N 0.60 5.83 0.58 0.00 1.01 0.51 -4.72 116.67 120.47 1agd s ASP 183 Ca 0.14 -0.04 -0.18 0.00 0.71 0.00 0.00 52.55 53.19 1agd s ASP 183 Cb -0.13 -2.07 -0.04 0.00 1.01 0.00 0.00 42.92 41.69 1agd s ASP 183 CO 0.03 -0.03 1.11 -2.16 0.21 0.00 0.00 175.17 174.34 1agd s PRO 184 N 1.61 3.22 0.42 8.23 0.04 -1.26 -1.46 135.00 145.80 1agd s PRO 184 Ca 0.07 1.49 -0.23 0.00 0.04 0.00 0.00 61.00 62.37 1agd s PRO 184 Cb -0.15 -2.00 -0.09 0.00 0.04 0.00 0.00 34.50 32.30 1agd s PRO 184 CO 0.08 -0.93 1.05 -1.25 0.04 0.00 0.00 177.00 175.99 1agd s PRO 185 N -3.58 4.09 -0.17 0.56 0.04 -1.26 -4.32 135.00 130.35 1agd s PRO 185 Ca 0.70 1.48 -0.18 0.00 0.04 0.00 0.00 61.00 63.04 1agd s PRO 185 Cb -0.22 -2.44 -0.04 0.00 0.04 0.00 0.00 34.50 31.84 1agd s PRO 185 CO 0.31 -0.21 0.51 0.15 0.04 0.00 0.00 177.00 177.81 1agd s LYS 186 N -2.66 4.24 0.14 4.56 3.01 0.11 -4.81 119.74 124.33 1agd s LYS 186 Ca 0.60 0.44 0.10 0.00 -1.01 0.00 0.00 55.97 56.10 1agd s LYS 186 Cb -0.21 -3.52 -0.04 0.00 -1.01 0.00 0.00 37.83 33.05 1agd s LYS 186 CO 0.26 -0.05 -0.25 0.95 0.51 0.00 0.00 175.35 176.77 1agd s THR 187 N 1.30 2.16 0.03 2.17 -4.23 -1.26 -1.17 115.64 114.64 1agd s THR 187 Ca 0.25 -1.77 -0.27 0.00 -1.18 0.00 0.00 61.69 58.72 1agd s THR 187 Cb -0.15 -1.93 0.09 0.00 1.34 0.00 0.00 72.50 71.84 1agd s THR 187 CO 0.10 0.02 0.78 -1.38 -0.54 0.00 0.00 174.62 173.60 1agd s HIS 188 N -1.21 -0.45 -0.15 3.99 -3.43 -1.10 -5.00 115.29 107.95 1agd s HIS 188 Ca 0.14 0.40 0.00 0.00 -0.80 0.00 0.00 55.06 54.80 1agd s HIS 188 Cb -0.10 0.52 -0.00 0.00 -1.43 0.00 0.00 32.58 31.57 1agd s HIS 188 CO 0.06 -0.63 -0.15 0.08 -2.00 0.00 0.00 174.74 172.11 1agd s VAL 189 N -2.88 2.74 0.32 -5.38 1.01 -1.26 -0.99 120.40 113.97 1agd s VAL 189 Ca 0.01 -0.75 0.07 0.00 0.00 0.00 0.00 61.98 61.31 1agd s VAL 189 Cb -0.01 -2.16 -0.02 0.00 0.00 0.00 0.00 36.38 34.19 1agd s VAL 189 CO -0.07 0.52 0.33 0.42 0.00 0.00 0.00 175.10 176.30 1agd s THR 190 N 0.72 3.86 -0.05 3.92 -4.23 0.19 -4.71 115.64 115.35 1agd s THR 190 Ca -0.07 -1.25 -0.01 0.00 -1.18 0.00 0.00 61.69 59.19 1agd s THR 190 Cb -0.16 -3.30 0.03 0.00 1.34 0.00 0.00 72.50 70.41 1agd s THR 190 CO 0.01 -0.20 0.01 -2.28 -0.54 0.00 0.00 174.62 171.63 1agd s HIS 191 N -2.24 0.44 -0.25 3.99 2.46 -1.26 -1.56 115.29 116.88 1agd s HIS 191 Ca 0.41 -0.04 0.00 0.00 0.47 0.00 0.00 55.06 55.90 1agd s HIS 191 Cb -0.07 -0.59 0.07 0.00 -0.13 0.00 0.00 32.58 31.86 1agd s HIS 191 CO 0.28 -0.22 -0.01 -1.01 -2.47 0.00 0.00 174.74 171.31 1agd s HIS 192 N 1.56 2.24 0.48 3.88 3.76 0.05 -4.96 115.29 122.30 1agd s HIS 192 Ca -0.02 -1.75 -0.24 0.00 -0.15 0.00 0.00 55.06 52.90 1agd s HIS 192 Cb -0.13 -1.65 -0.07 0.00 1.11 0.00 0.00 32.58 31.83 1agd s HIS 192 CO -0.03 -0.79 1.41 -2.30 -0.85 0.00 0.00 174.74 172.18 1agd n PRO 193 N 4.71 2.08 -0.06 8.40 -0.02 -1.26 -0.76 135.00 148.08 1agd n PRO 193 Ca -0.09 0.75 -0.07 0.00 -2.02 0.00 0.00 63.50 62.07 1agd n PRO 193 Cb 0.44 -2.61 -0.08 0.00 -0.02 0.00 0.00 33.50 31.23 1agd n PRO 193 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 1agd n ILE 194 N -0.46 0.79 -2.80 4.25 5.41 -0.11 -4.83 119.36 121.60 1agd n ILE 194 Ca 0.07 -0.41 0.00 0.00 1.00 0.00 0.00 62.75 63.41 1agd n ILE 194 Cb 0.42 -0.82 0.00 0.00 -0.71 0.00 0.00 39.64 38.53 1agd n ILE 194 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 176.55 175.01 1agd n SER 195 N -2.61 0.00 0.18 4.38 3.41 -1.00 -4.97 113.62 113.01 1agd n SER 195 Ca -0.21 -0.76 0.05 0.00 -0.26 0.00 0.00 58.87 57.69 1agd n SER 195 Cb 0.83 0.00 0.27 0.00 -0.26 0.00 0.00 64.21 65.05 1agd n SER 195 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 1agd h ASP 196 N 0.00 0.00 0.60 4.04 3.32 -2.04 -3.32 116.42 119.03 1agd h ASP 196 Ca 0.00 0.00 -0.19 0.00 0.02 0.00 0.00 57.03 56.86 1agd h ASP 196 Cb 0.00 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.52 1agd h ASP 196 CO 0.00 0.42 -1.54 1.41 -1.72 0.00 0.00 179.24 177.81 1agd n HIS 197 N -3.48 0.88 -4.09 4.55 8.25 -1.26 -4.76 115.22 115.32 1agd n HIS 197 Ca 0.00 0.30 -0.09 0.00 -0.26 0.00 0.00 57.72 57.67 1agd n HIS 197 Cb 0.56 -1.07 -0.09 0.00 1.12 0.00 0.00 29.99 30.51 1agd n HIS 197 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 1agd s GLU 198 N -2.88 0.90 0.08 -0.41 2.02 -1.25 -1.72 118.70 115.44 1agd s GLU 198 Ca -0.04 -1.32 -0.11 0.00 0.02 0.00 0.00 54.97 53.52 1agd s GLU 198 Cb 0.09 0.26 0.01 0.00 0.10 0.00 0.00 34.13 34.59 1agd s GLU 198 CO 0.82 -0.26 0.25 0.00 0.02 0.00 0.00 175.26 176.09 1agd s ALA 199 N -4.00 -0.46 -0.12 5.21 0.00 -0.41 -0.94 121.76 121.04 1agd s ALA 199 Ca 0.19 -0.35 -0.05 0.00 0.00 0.00 0.00 51.96 51.75 1agd s ALA 199 Cb 0.07 0.47 -0.04 0.00 0.00 0.00 0.00 23.12 23.62 1agd s ALA 199 CO -0.02 -0.50 0.05 0.99 0.00 0.00 0.00 175.76 176.29 1agd s THR 200 N -3.43 4.71 -0.17 0.00 2.01 0.06 -0.64 115.64 118.17 1agd s THR 200 Ca 0.01 -0.08 -0.02 0.00 0.31 0.00 0.00 61.69 61.91 1agd s THR 200 Cb 0.02 -3.04 -0.01 0.00 0.01 0.00 0.00 72.50 69.48 1agd s THR 200 CO -0.09 0.56 -0.10 -0.76 -0.69 0.00 0.00 174.62 173.55 1agd s LEU 201 N -0.51 2.75 -0.11 4.42 1.43 -0.45 -0.77 118.68 125.43 1agd s LEU 201 Ca 0.10 -0.38 0.03 0.00 -1.03 0.00 0.00 54.13 52.85 1agd s LEU 201 Cb -0.12 -1.66 0.01 0.00 0.03 0.00 0.00 46.19 44.45 1agd s LEU 201 CO 0.02 0.07 -0.21 -0.60 0.23 0.00 0.00 176.35 175.86 1agd s ARG 202 N 0.90 2.84 -0.24 1.70 3.52 -0.60 -1.59 118.95 125.49 1agd s ARG 202 Ca -0.02 -0.80 -0.08 0.00 -0.13 0.00 0.00 55.73 54.69 1agd s ARG 202 Cb -0.15 -2.24 -0.04 0.00 -1.56 0.00 0.00 34.95 30.97 1agd s ARG 202 CO 0.00 0.07 0.10 0.00 -0.81 0.00 0.00 175.30 174.66 1agd s TRP 204 N 1.30 3.18 -0.08 0.00 0.52 -0.16 -1.61 118.94 122.08 1agd s TRP 204 Ca 0.06 0.16 -0.02 0.00 0.02 0.00 0.00 56.10 56.31 1agd s TRP 204 Cb -0.15 -1.72 0.03 0.00 -1.15 0.00 0.00 33.47 30.49 1agd s TRP 204 CO 0.05 0.50 0.02 0.00 0.02 0.00 0.00 176.95 177.54 1agd s ALA 205 N -1.10 0.64 0.12 0.98 0.00 -0.68 -2.71 121.76 119.00 1agd s ALA 205 Ca 0.20 -0.14 0.05 0.00 0.00 0.00 0.00 51.96 52.06 1agd s ALA 205 Cb -0.12 -0.78 -0.04 0.00 0.00 0.00 0.00 23.12 22.18 1agd s ALA 205 CO 0.10 -0.57 -0.12 -0.51 0.00 0.00 0.00 175.76 174.66 1agd s LEU 206 N 2.00 2.43 -1.58 0.00 1.43 -0.31 -1.50 118.68 121.15 1agd s LEU 206 Ca 0.04 -0.85 0.00 0.00 -1.03 0.00 0.00 54.13 52.29 1agd s LEU 206 Cb -0.13 -0.41 0.00 0.00 0.03 0.00 0.00 46.19 45.68 1agd s LEU 206 CO -0.05 -0.23 0.00 0.61 0.23 0.00 0.00 176.35 176.91 1agd n GLY 207 N 0.39 0.50 3.93 -3.19 0.00 -1.00 0.05 105.19 105.87 1agd n GLY 207 Ca -0.15 -0.20 -0.28 0.00 0.00 0.00 0.00 46.02 45.40 1agd n GLY 207 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1agd s PHE 208 N -2.75 3.49 -0.17 1.61 -0.71 -1.10 -4.64 117.98 113.70 1agd s PHE 208 Ca 0.00 0.27 -0.11 0.00 -1.04 0.00 0.00 56.93 56.05 1agd s PHE 208 Cb 0.00 -1.79 0.05 0.00 -1.21 0.00 0.00 43.02 40.07 1agd s PHE 208 CO 0.00 0.46 0.43 -0.47 -1.34 0.00 0.00 175.22 174.30 1agd s TYR 209 N -1.76 -0.58 1.11 3.49 6.14 -0.53 -0.37 117.35 124.85 1agd s TYR 209 Ca 0.37 1.28 -0.18 0.00 0.64 0.00 0.00 57.07 59.17 1agd s TYR 209 Cb -0.11 0.25 0.26 0.00 0.42 0.00 0.00 41.96 42.77 1agd s TYR 209 CO 0.28 -0.31 1.23 -1.25 0.64 0.00 0.00 175.55 176.14 1agd s PRO 210 N 1.02 -0.49 0.33 4.97 0.04 -1.26 -0.37 135.00 139.25 1agd s PRO 210 Ca -0.06 -0.33 0.01 0.00 0.04 0.00 0.00 61.00 60.65 1agd s PRO 210 Cb -0.06 -1.71 0.58 0.00 0.04 0.00 0.00 34.50 33.34 1agd s PRO 210 CO -0.09 -3.18 2.00 0.00 0.04 0.00 0.00 177.00 175.77 1agd h ALA 211 N -2.19 1.51 -1.87 8.56 0.00 -1.94 -3.44 119.26 119.88 1agd h ALA 211 Ca -0.44 -0.05 -0.66 0.00 0.00 0.00 0.00 54.91 53.77 1agd h ALA 211 Cb 1.25 -0.28 0.04 0.00 0.00 0.00 0.00 17.79 18.80 1agd h ALA 211 CO 0.32 0.46 0.79 -1.91 0.00 0.00 0.00 179.25 178.91 1agd n GLU 212 N -4.43 1.63 -3.48 0.00 4.07 -1.26 -4.97 120.64 112.20 1agd n GLU 212 Ca 0.07 0.59 -0.10 0.00 -0.06 0.00 0.00 57.16 57.67 1agd n GLU 212 Cb 0.04 -2.32 -0.02 0.00 -0.06 0.00 0.00 31.44 29.08 1agd n GLU 212 CO 0.00 0.00 0.00 -1.50 -0.06 0.00 0.00 177.13 175.57 1agd s ILE 213 N 2.13 0.00 -0.12 6.31 2.07 -1.26 -4.63 121.20 125.70 1agd s ILE 213 Ca 0.88 0.00 -0.01 0.00 -1.41 0.00 0.00 60.65 60.11 1agd s ILE 213 Cb -0.85 -1.00 0.03 0.00 0.13 0.00 0.00 42.46 40.77 1agd s ILE 213 CO 0.50 0.00 -0.05 -0.89 -1.91 0.00 0.00 174.94 172.59 1agd s THR 214 N -3.26 0.89 -0.14 4.00 2.01 -0.57 -4.99 115.64 113.56 1agd s THR 214 Ca 0.03 -0.30 0.01 0.00 0.31 0.00 0.00 61.69 61.74 1agd s THR 214 Cb -0.01 -1.00 -0.00 0.00 0.01 0.00 0.00 72.50 71.50 1agd s THR 214 CO -0.10 0.26 -0.16 -0.76 -0.69 0.00 0.00 174.62 173.17 1agd s LEU 215 N 1.75 2.47 0.02 4.42 1.43 -1.26 -1.35 118.68 126.16 1agd s LEU 215 Ca 0.04 -0.46 -0.02 0.00 -1.03 0.00 0.00 54.13 52.66 1agd s LEU 215 Cb -0.13 -1.55 -0.02 0.00 0.03 0.00 0.00 46.19 44.52 1agd s LEU 215 CO -0.07 0.11 0.01 0.42 0.23 0.00 0.00 176.35 177.04 1agd s THR 216 N 0.69 0.11 -0.07 5.49 -4.23 -0.69 -4.96 115.64 111.97 1agd s THR 216 Ca -0.08 -0.90 0.02 0.00 -1.18 0.00 0.00 61.69 59.56 1agd s THR 216 Cb -0.16 -0.35 -0.03 0.00 1.34 0.00 0.00 72.50 73.31 1agd s THR 216 CO 0.02 -0.49 -0.12 0.26 -0.54 0.00 0.00 174.62 173.75 1agd s TRP 217 N -1.55 2.80 0.01 3.99 0.52 -1.26 -0.47 118.94 122.98 1agd s TRP 217 Ca -0.15 -0.18 0.07 0.00 0.02 0.00 0.00 56.10 55.87 1agd s TRP 217 Cb -0.09 -1.70 -0.02 0.00 -1.15 0.00 0.00 33.47 30.51 1agd s TRP 217 CO -0.01 0.16 -0.22 -0.65 0.02 0.00 0.00 176.95 176.26 1agd s GLN 218 N -0.55 1.63 -0.23 4.98 -0.21 0.03 -0.50 119.66 124.81 1agd s GLN 218 Ca 0.08 -0.87 -0.01 0.00 0.02 0.00 0.00 55.36 54.58 1agd s GLN 218 Cb -0.12 -1.66 0.02 0.00 1.00 0.00 0.00 33.01 32.25 1agd s GLN 218 CO 0.02 0.44 -0.10 -0.98 -2.12 0.00 0.00 175.29 172.55 1agd s ARG 219 N -0.83 2.89 -1.36 2.91 1.70 -0.23 -1.45 118.95 122.58 1agd s ARG 219 Ca 0.08 -0.93 -0.09 0.00 -0.47 0.00 0.00 55.73 54.32 1agd s ARG 219 Cb -0.09 -2.87 0.01 0.00 -0.57 0.00 0.00 34.95 31.43 1agd s ARG 219 CO 0.00 -0.34 1.19 -0.25 -1.08 0.00 0.00 175.30 174.82 1agd n ASP 220 N 4.65 -6.39 0.00 -2.89 8.00 -0.05 -1.80 116.55 118.07 1agd n ASP 220 Ca -0.18 -0.54 0.00 0.00 0.71 0.00 0.00 54.79 54.78 1agd n ASP 220 Cb 0.48 -5.04 0.00 0.00 -0.02 0.00 0.00 41.12 36.54 1agd n ASP 220 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1agd n GLY 221 N -2.02 0.38 3.43 0.44 0.00 -1.26 -5.01 105.19 101.15 1agd n GLY 221 Ca 0.01 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.68 1agd n GLY 221 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1agd s GLU 222 N -0.57 3.60 0.30 1.61 2.56 -0.74 -5.02 118.70 120.43 1agd s GLU 222 Ca 0.00 -0.52 -0.29 0.00 0.00 0.00 0.00 54.97 54.16 1agd s GLU 222 Cb 0.00 -3.13 -0.13 0.00 2.00 0.00 0.00 34.13 32.87 1agd s GLU 222 CO 0.00 -0.06 1.37 -0.25 -0.56 0.00 0.00 175.26 175.75 1agd n ASP 223 N 4.48 2.90 -2.51 -1.70 8.00 -1.26 -1.06 116.55 125.40 1agd n ASP 223 Ca -0.17 1.18 -0.34 0.00 0.71 0.00 0.00 54.79 56.17 1agd n ASP 223 Cb 0.52 -1.48 0.04 0.00 -0.02 0.00 0.00 41.12 40.18 1agd n ASP 223 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1agd n GLN 224 N 1.20 2.97 -0.27 -1.24 1.13 0.35 -4.84 117.38 116.68 1agd n GLN 224 Ca 0.07 -3.70 0.08 0.00 -1.94 0.00 0.00 57.00 51.52 1agd n GLN 224 Cb 0.35 -2.28 0.22 0.00 0.11 0.00 0.00 30.24 28.64 1agd n GLN 224 CO 0.00 0.00 0.00 1.15 -1.44 0.00 0.00 177.06 176.77 1agd h THR 225 N 1.77 0.47 -0.13 5.09 2.02 -1.90 -0.83 112.91 119.41 1agd h THR 225 Ca 0.51 -0.10 -0.17 0.00 0.77 0.00 0.00 66.41 67.42 1agd h THR 225 Cb 0.67 0.16 -0.01 0.00 -1.74 0.00 0.00 68.15 67.24 1agd h THR 225 CO 1.30 0.05 -0.63 1.56 0.37 0.00 0.00 175.52 178.17 1agd h GLN 226 N 0.28 0.46 -0.01 6.66 1.08 -1.99 -3.28 115.11 118.31 1agd h GLN 226 Ca 0.46 -0.32 0.00 0.00 -1.45 0.00 0.00 58.65 57.34 1agd h GLN 226 Cb 0.83 0.05 0.00 0.00 -0.05 0.00 0.00 27.48 28.31 1agd h GLN 226 CO -0.54 0.94 -0.27 -0.25 -0.95 0.00 0.00 178.83 177.76 1agd n ASP 227 N -3.90 0.93 -4.68 1.46 8.00 -0.52 -4.90 116.55 112.95 1agd n ASP 227 Ca -0.04 -0.80 -0.41 0.00 0.71 0.00 0.00 54.79 54.26 1agd n ASP 227 Cb 0.65 0.13 -0.05 0.00 -0.02 0.00 0.00 41.12 41.82 1agd n ASP 227 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1agd s THR 228 N -2.55 4.96 -0.23 -3.53 2.01 -0.43 -4.62 115.64 111.26 1agd s THR 228 Ca 0.23 1.45 -0.20 0.00 0.31 0.00 0.00 61.69 63.48 1agd s THR 228 Cb 0.19 -4.05 -0.02 0.00 0.01 0.00 0.00 72.50 68.62 1agd s THR 228 CO 0.53 0.11 0.60 -0.70 -0.69 0.00 0.00 174.62 174.47 1agd s GLU 229 N 1.75 4.16 -0.15 4.92 2.12 0.51 -4.90 118.70 127.11 1agd s GLU 229 Ca 0.35 0.53 0.01 0.00 0.36 0.00 0.00 54.97 56.23 1agd s GLU 229 Cb -0.17 -3.61 0.01 0.00 0.26 0.00 0.00 34.13 30.62 1agd s GLU 229 CO 0.13 -0.30 -0.19 -1.17 -0.54 0.00 0.00 175.26 173.19 1agd s LEU 230 N 2.14 2.26 0.30 2.70 2.96 -1.26 -0.15 118.68 127.62 1agd s LEU 230 Ca 0.26 -0.55 -0.04 0.00 -0.22 0.00 0.00 54.13 53.58 1agd s LEU 230 Cb -0.16 -1.50 -0.05 0.00 0.50 0.00 0.00 46.19 44.99 1agd s LEU 230 CO 0.09 0.07 0.54 0.68 -1.32 0.00 0.00 176.35 176.42 1agd s VAL 231 N 0.86 5.05 0.29 1.68 -7.23 -1.01 -5.04 120.40 115.01 1agd s VAL 231 Ca -0.05 -0.07 -0.29 0.00 -1.81 0.00 0.00 61.98 59.75 1agd s VAL 231 Cb -0.15 -3.76 -0.10 0.00 0.56 0.00 0.00 36.38 32.93 1agd s VAL 231 CO -0.02 -0.37 1.37 -0.70 -0.31 0.00 0.00 175.10 175.08 1agd s GLU 232 N -3.70 4.31 0.20 4.82 2.12 -1.26 -4.61 118.70 120.58 1agd s GLU 232 Ca 0.43 2.26 -0.32 0.00 0.36 0.00 0.00 54.97 57.70 1agd s GLU 232 Cb -0.11 -3.09 -0.13 0.00 0.26 0.00 0.00 34.13 31.07 1agd s GLU 232 CO 0.31 -0.31 1.64 2.41 -0.54 0.00 0.00 175.26 178.78 1agd n THR 233 N 1.50 0.17 -4.31 -1.70 -1.04 -1.26 -4.86 114.28 102.78 1agd n THR 233 Ca 0.03 -0.04 -0.24 0.00 -2.04 0.00 0.00 64.05 61.76 1agd n THR 233 Cb 0.41 -1.79 -0.13 0.00 -1.82 0.00 0.00 70.33 67.00 1agd n THR 233 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1agd s ARG 234 N 0.80 1.14 0.19 -2.82 1.70 -0.79 -4.95 118.95 114.22 1agd s ARG 234 Ca 0.75 -1.15 -0.30 0.00 -0.47 0.00 0.00 55.73 54.56 1agd s ARG 234 Cb -0.57 -1.40 -0.08 0.00 -0.57 0.00 0.00 34.95 32.33 1agd s ARG 234 CO 0.37 0.33 1.02 -1.25 -1.08 0.00 0.00 175.30 174.69 1agd s PRO 235 N -1.86 4.70 0.22 3.89 0.04 -1.26 -1.24 135.00 139.48 1agd s PRO 235 Ca 0.06 1.60 0.21 0.00 0.04 0.00 0.00 61.00 62.92 1agd s PRO 235 Cb -0.10 -3.29 0.03 0.00 0.04 0.00 0.00 34.50 31.18 1agd s PRO 235 CO 0.04 0.25 1.11 0.00 0.04 0.00 0.00 177.00 178.43 1agd h ALA 236 N 4.80 0.61 0.00 8.56 0.00 -1.52 -3.47 119.26 128.24 1agd h ALA 236 Ca -0.44 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.30 1agd h ALA 236 Cb 1.21 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.04 1agd h ALA 236 CO 0.70 0.19 0.00 0.41 0.00 0.00 0.00 179.25 180.55 1agd n GLY 237 N 1.21 0.44 0.76 0.00 0.00 -1.26 -4.94 105.19 101.40 1agd n GLY 237 Ca -0.01 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.09 1agd n GLY 237 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1agd n ASP 238 N 0.00 3.58 0.00 1.61 5.68 -1.26 -4.92 116.55 121.24 1agd n ASP 238 Ca 0.00 -2.91 0.00 0.00 -0.50 0.00 0.00 54.79 51.38 1agd n ASP 238 Cb 0.00 -0.49 0.00 0.00 -1.14 0.00 0.00 41.12 39.49 1agd n ASP 238 CO 0.00 0.00 0.00 -2.11 -1.33 0.00 0.00 177.20 173.76 1agd n ARG 239 N -0.52 0.00 -2.24 0.11 1.85 -1.26 -5.05 116.66 109.55 1agd n ARG 239 Ca 0.19 0.00 -0.26 0.00 -1.00 0.00 0.00 57.85 56.79 1agd n ARG 239 Cb 0.81 -0.16 0.06 0.00 -1.05 0.00 0.00 32.46 32.12 1agd n ARG 239 CO 0.00 0.00 0.00 0.95 -0.01 0.00 0.00 177.63 178.57 1agd s THR 240 N -2.49 2.50 0.29 8.89 -4.23 -1.26 -4.88 115.64 114.46 1agd s THR 240 Ca 0.00 -0.24 0.07 0.00 -1.18 0.00 0.00 61.69 60.35 1agd s THR 240 Cb 0.00 -3.07 -0.06 0.00 1.34 0.00 0.00 72.50 70.71 1agd s THR 240 CO 0.00 -0.08 -0.08 -0.36 -0.54 0.00 0.00 174.62 173.57 1agd s PHE 241 N -3.19 2.05 0.09 3.99 0.40 0.51 -1.27 117.98 120.56 1agd s PHE 241 Ca 0.59 -0.64 0.02 0.00 -0.60 0.00 0.00 56.93 56.31 1agd s PHE 241 Cb -0.11 -1.15 -0.04 0.00 0.51 0.00 0.00 43.02 42.23 1agd s PHE 241 CO 0.45 0.37 -0.07 -0.65 0.70 0.00 0.00 175.22 176.01 1agd s GLN 242 N -3.69 0.81 -0.15 0.44 -0.21 -0.38 -2.36 119.66 114.12 1agd s GLN 242 Ca 0.30 -1.27 -0.30 0.00 0.02 0.00 0.00 55.36 54.11 1agd s GLN 242 Cb 0.03 -0.26 0.13 0.00 1.00 0.00 0.00 33.01 33.91 1agd s GLN 242 CO 0.13 0.00 1.02 0.21 -2.12 0.00 0.00 175.29 174.53 1agd s LYS 243 N -3.52 0.57 0.06 2.91 2.20 -0.56 -1.88 119.74 119.52 1agd s LYS 243 Ca 0.09 0.08 -0.04 0.00 -0.36 0.00 0.00 55.97 55.74 1agd s LYS 243 Cb 0.03 0.27 -0.02 0.00 -1.51 0.00 0.00 37.83 36.60 1agd s LYS 243 CO -0.04 -0.19 0.07 1.67 -0.36 0.00 0.00 175.35 176.50 1agd s TRP 244 N -1.35 0.32 -0.02 4.03 1.48 -1.26 -1.69 118.94 120.45 1agd s TRP 244 Ca 0.00 -0.77 0.02 0.00 -1.06 0.00 0.00 56.10 54.29 1agd s TRP 244 Cb -0.01 -0.22 0.00 0.00 -1.16 0.00 0.00 33.47 32.09 1agd s TRP 244 CO -0.00 -0.43 -0.06 0.00 -4.06 0.00 0.00 176.95 172.40 1agd s ALA 245 N -3.57 0.62 0.10 2.67 0.00 -0.64 -2.39 121.76 118.56 1agd s ALA 245 Ca 0.03 -0.23 0.05 0.00 0.00 0.00 0.00 51.96 51.81 1agd s ALA 245 Cb 0.05 -0.23 -0.03 0.00 0.00 0.00 0.00 23.12 22.90 1agd s ALA 245 CO -0.09 0.10 -0.13 0.00 0.00 0.00 0.00 175.76 175.65 1agd s ALA 246 N 0.15 1.27 -0.01 0.00 0.00 0.79 -0.48 121.76 123.47 1agd s ALA 246 Ca -0.02 -1.17 -0.02 0.00 0.00 0.00 0.00 51.96 50.75 1agd s ALA 246 Cb -0.06 -0.04 0.00 0.00 0.00 0.00 0.00 23.12 23.01 1agd s ALA 246 CO -0.00 0.07 0.05 0.54 0.00 0.00 0.00 175.76 176.42 1agd s VAL 247 N -2.01 0.03 -0.28 0.00 0.11 -0.62 -0.36 120.40 117.26 1agd s VAL 247 Ca 0.05 -0.22 -0.14 0.00 -2.93 0.00 0.00 61.98 58.74 1agd s VAL 247 Cb -0.06 -0.15 -0.03 0.00 -1.53 0.00 0.00 36.38 34.61 1agd s VAL 247 CO 0.02 -0.12 0.34 -0.69 -3.33 0.00 0.00 175.10 171.32 1agd s VAL 248 N -0.35 5.19 0.21 2.04 1.01 -1.26 -1.34 120.40 125.91 1agd s VAL 248 Ca -0.04 0.42 0.10 0.00 0.00 0.00 0.00 61.98 62.46 1agd s VAL 248 Cb -0.03 -3.69 -0.04 0.00 0.00 0.00 0.00 36.38 32.62 1agd s VAL 248 CO 0.00 0.13 -0.15 0.68 0.00 0.00 0.00 175.10 175.76 1agd s VAL 249 N 2.01 2.80 0.30 2.92 -7.23 0.19 -4.93 120.40 116.47 1agd s VAL 249 Ca 0.13 -1.96 -0.28 0.00 -1.81 0.00 0.00 61.98 58.06 1agd s VAL 249 Cb -0.16 -2.41 -0.09 0.00 0.56 0.00 0.00 36.38 34.28 1agd s VAL 249 CO 0.10 -0.20 1.03 -2.84 -0.31 0.00 0.00 175.10 172.88 1agd s PRO 250 N -3.02 4.60 0.33 4.82 0.02 -1.26 -1.29 135.00 139.20 1agd s PRO 250 Ca 0.25 1.62 -0.28 0.00 0.02 0.00 0.00 61.00 62.61 1agd s PRO 250 Cb -0.07 -3.04 -0.12 0.00 0.02 0.00 0.00 34.50 31.28 1agd s PRO 250 CO 0.14 0.23 1.31 0.43 -0.33 0.00 0.00 177.00 178.78 1agd n SER 251 N 0.95 2.79 0.00 2.53 7.64 -0.70 -1.86 113.62 124.97 1agd n SER 251 Ca 0.00 1.20 0.00 0.00 1.01 0.00 0.00 58.87 61.08 1agd n SER 251 Cb 0.47 -1.48 0.00 0.00 -1.01 0.00 0.00 64.21 62.19 1agd n SER 251 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1agd n GLY 252 N 0.93 2.82 1.26 0.23 0.00 -1.26 -4.88 105.19 104.29 1agd n GLY 252 Ca 0.05 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.16 1agd n GLY 252 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1agd n GLU 253 N -2.00 3.53 -0.05 1.61 1.02 -0.78 -4.67 120.64 119.30 1agd n GLU 253 Ca 0.00 -2.78 0.03 0.00 -0.02 0.00 0.00 57.16 54.39 1agd n GLU 253 Cb 0.00 -1.83 0.38 0.00 -0.02 0.00 0.00 31.44 29.97 1agd n GLU 253 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 1agd h GLU 254 N 3.01 0.65 0.00 3.49 3.07 -1.90 -2.25 114.58 120.66 1agd h GLU 254 Ca 0.00 -0.04 0.00 0.00 -0.50 0.00 0.00 59.36 58.82 1agd h GLU 254 Cb 1.42 -0.15 0.00 0.00 -0.84 0.00 0.00 28.75 29.18 1agd h GLU 254 CO 0.23 0.43 0.00 1.04 -1.40 0.00 0.00 179.01 179.31 1agd n GLN 255 N -4.46 0.11 0.00 2.33 1.13 -1.26 -2.07 117.38 113.16 1agd n GLN 255 Ca 0.04 0.38 0.15 0.00 -1.94 0.00 0.00 57.00 55.64 1agd n GLN 255 Cb 0.05 -1.73 0.78 0.00 0.11 0.00 0.00 30.24 29.45 1agd n GLN 255 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 1agd n ARG 256 N -1.94 0.86 -4.58 -1.09 1.74 -0.84 -4.80 116.66 106.01 1agd n ARG 256 Ca 0.02 -0.16 -0.34 0.00 -0.77 0.00 0.00 57.85 56.60 1agd n ARG 256 Cb 0.18 -1.50 -0.11 0.00 -1.02 0.00 0.00 32.46 30.01 1agd n ARG 256 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 1agd s TYR 257 N -2.25 2.97 0.00 -1.55 1.51 -0.88 -0.87 117.35 116.29 1agd s TYR 257 Ca 0.38 0.02 0.02 0.00 -1.01 0.00 0.00 57.07 56.47 1agd s TYR 257 Cb 0.21 -1.74 -0.01 0.00 -0.11 0.00 0.00 41.96 40.31 1agd s TYR 257 CO 0.41 0.32 -0.05 0.95 -1.11 0.00 0.00 175.55 176.08 1agd s THR 258 N -0.73 0.38 -0.17 -0.71 -4.23 -0.53 -4.66 115.64 104.99 1agd s THR 258 Ca 0.11 -0.33 -0.06 0.00 -1.18 0.00 0.00 61.69 60.22 1agd s THR 258 Cb -0.11 -0.35 -0.04 0.00 1.34 0.00 0.00 72.50 73.34 1agd s THR 258 CO 0.02 0.02 0.05 0.00 -0.54 0.00 0.00 174.62 174.17 1agd s HIS 260 N 0.19 2.78 -0.12 0.00 3.76 0.38 -0.30 115.29 121.98 1agd s HIS 260 Ca 0.04 -0.66 0.03 0.00 -0.15 0.00 0.00 55.06 54.31 1agd s HIS 260 Cb -0.12 -1.82 0.01 0.00 1.11 0.00 0.00 32.58 31.75 1agd s HIS 260 CO 0.01 -0.21 -0.20 0.08 -0.85 0.00 0.00 174.74 173.57 1agd s VAL 261 N 0.30 1.83 -0.10 -0.90 1.01 -0.29 -1.70 120.40 120.53 1agd s VAL 261 Ca -0.11 -0.85 0.03 0.00 0.00 0.00 0.00 61.98 61.05 1agd s VAL 261 Cb -0.16 -1.62 -0.00 0.00 0.00 0.00 0.00 36.38 34.60 1agd s VAL 261 CO 0.06 0.51 -0.23 -1.10 0.00 0.00 0.00 175.10 174.34 1agd s GLN 262 N 0.74 3.09 -0.19 2.72 -0.21 -0.45 -1.32 119.66 124.04 1agd s GLN 262 Ca -0.10 -0.86 -0.21 0.00 0.02 0.00 0.00 55.36 54.21 1agd s GLN 262 Cb -0.16 -2.34 0.06 0.00 1.00 0.00 0.00 33.01 31.56 1agd s GLN 262 CO 0.01 0.18 0.59 -1.58 -2.12 0.00 0.00 175.29 172.37 1agd s HIS 263 N 0.35 -0.63 0.22 0.91 2.46 -1.26 -1.52 115.29 115.83 1agd s HIS 263 Ca -0.18 1.46 0.35 0.00 0.47 0.00 0.00 55.06 57.17 1agd s HIS 263 Cb -0.18 0.24 1.75 0.00 -0.13 0.00 0.00 32.58 34.26 1agd s HIS 263 CO 0.08 -0.35 2.06 1.05 -2.47 0.00 0.00 174.74 175.11 1agd h GLU 264 N 4.88 0.00 -0.02 2.88 4.11 -1.93 -1.62 114.58 122.89 1agd h GLU 264 Ca -0.28 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.15 1agd h GLU 264 Cb 1.17 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.42 1agd h GLU 264 CO 0.17 0.00 0.00 0.41 0.07 0.00 0.00 179.01 179.66 1agd n GLY 265 N -0.71 -0.62 3.62 1.06 0.00 -1.26 -4.77 105.19 102.51 1agd n GLY 265 Ca -0.01 -0.27 -0.34 0.00 0.00 0.00 0.00 46.02 45.39 1agd n GLY 265 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1agd s LEU 266 N -1.91 3.76 0.08 0.99 1.43 -0.61 -4.26 118.68 118.16 1agd s LEU 266 Ca 0.41 0.06 -0.24 0.00 -1.03 0.00 0.00 54.13 53.33 1agd s LEU 266 Cb 0.20 -1.95 -0.16 0.00 0.03 0.00 0.00 46.19 44.32 1agd s LEU 266 CO 0.33 0.18 1.70 1.55 0.23 0.00 0.00 176.35 180.33 1agd h PRO 267 N 6.68 -0.10 -4.84 1.29 0.13 -1.86 -3.43 132.00 129.87 1agd h PRO 267 Ca -0.36 0.01 -0.39 0.00 -0.87 0.00 0.00 66.00 64.39 1agd h PRO 267 Cb 1.17 0.02 -0.27 0.00 0.13 0.00 0.00 31.00 32.05 1agd h PRO 267 CO 0.70 -0.04 -0.78 0.15 -0.23 0.00 0.00 178.00 177.81 1agd s LYS 268 N -6.05 0.74 0.68 0.86 1.02 -1.26 -5.14 119.74 110.59 1agd s LYS 268 Ca -0.14 -0.49 -0.17 0.00 0.02 0.00 0.00 55.97 55.20 1agd s LYS 268 Cb 0.05 -0.70 -0.01 0.00 -0.52 0.00 0.00 37.83 36.66 1agd s LYS 268 CO 0.65 0.18 1.07 -0.35 -0.92 0.00 0.00 175.35 175.98 1agd n PRO 269 N 2.43 0.75 -3.95 -1.68 -0.04 -1.26 -5.01 135.00 126.24 1agd n PRO 269 Ca -0.16 0.31 -0.25 0.00 -0.04 0.00 0.00 63.50 63.36 1agd n PRO 269 Cb 0.56 -2.30 -0.03 0.00 -0.04 0.00 0.00 33.50 31.69 1agd n PRO 269 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1agd s LEU 270 N -3.31 4.33 -0.06 1.53 1.43 -0.43 -4.93 118.68 117.24 1agd s LEU 270 Ca 0.77 0.15 0.01 0.00 -1.03 0.00 0.00 54.13 54.02 1agd s LEU 270 Cb -0.37 -2.90 0.02 0.00 0.03 0.00 0.00 46.19 42.98 1agd s LEU 270 CO 0.46 0.02 -0.06 -0.89 0.23 0.00 0.00 176.35 176.12 1agd s THR 271 N -1.80 0.70 0.09 5.49 2.01 -1.25 -1.14 115.64 119.74 1agd s THR 271 Ca 0.34 -0.17 0.03 0.00 0.31 0.00 0.00 61.69 62.20 1agd s THR 271 Cb -0.11 -0.73 -0.04 0.00 0.01 0.00 0.00 72.50 71.64 1agd s THR 271 CO 0.29 0.28 -0.08 -0.76 -0.69 0.00 0.00 174.62 173.65 1agd s LEU 272 N 1.19 2.44 0.10 4.42 1.02 0.58 -4.94 118.68 123.50 1agd s LEU 272 Ca -0.06 -0.88 -0.05 0.00 0.02 0.00 0.00 54.13 53.16 1agd s LEU 272 Cb -0.14 -0.18 -0.02 0.00 0.02 0.00 0.00 46.19 45.87 1agd s LEU 272 CO -0.02 -0.35 0.13 0.00 0.02 0.00 0.00 176.35 176.13 1agd s ARG 273 N -3.17 0.87 0.22 1.70 1.70 -1.26 0.06 118.95 119.07 1agd s ARG 273 Ca 0.07 -1.17 -0.31 0.00 -0.47 0.00 0.00 55.73 53.86 1agd s ARG 273 Cb 0.00 0.30 -0.11 0.00 -0.57 0.00 0.00 34.95 34.57 1agd s ARG 273 CO -0.02 -0.26 1.59 -0.46 -1.08 0.00 0.00 175.30 175.07 1agd s TRP 274 N -3.94 2.93 -0.44 5.89 -0.00 -1.26 -4.75 118.94 117.37 1agd s TRP 274 Ca 0.12 0.66 0.01 0.00 -0.00 0.00 0.00 56.10 56.90 1agd s TRP 274 Cb 0.06 -4.00 0.12 0.00 -0.00 0.00 0.00 33.47 29.65 1agd s TRP 274 CO -0.06 -3.56 0.19 -1.21 -0.00 0.00 0.00 176.95 172.31 1agd s GLU 275 N 0.45 1.88 0.00 5.86 2.02 -1.26 -4.96 118.70 122.69 1agd s GLU 275 Ca 0.68 -2.14 0.00 0.00 0.02 0.00 0.00 54.97 53.52 1agd s GLU 275 Cb -0.46 -3.40 0.00 0.00 0.10 0.00 0.00 34.13 30.37 1agd s GLU 275 CO 0.38 -1.05 0.30 -2.30 0.02 0.00 0.00 175.26 172.61