#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jgd s SER 2 N 0.00 6.69 0.17 1.61 0.01 -1.26 -3.61 113.70 117.31 1jgd s SER 2 Ca 0.00 1.13 -0.04 0.00 1.31 0.00 0.00 55.95 58.35 1jgd s SER 2 Cb 0.00 -2.31 -0.03 0.00 0.21 0.00 0.00 66.02 63.89 1jgd s SER 2 CO 0.00 -0.19 0.18 -1.00 0.41 0.00 0.00 173.24 172.64 1jgd s HIS 3 N -1.98 0.78 0.07 2.43 0.09 -0.44 -4.98 115.29 111.26 1jgd s HIS 3 Ca 0.51 -1.11 -0.04 0.00 -0.00 0.00 0.00 55.06 54.43 1jgd s HIS 3 Cb -0.11 -0.33 -0.03 0.00 -0.00 0.00 0.00 32.58 32.12 1jgd s HIS 3 CO 0.21 -0.66 0.06 -1.54 -0.00 0.00 0.00 174.74 172.81 1jgd s SER 4 N -3.06 0.34 -0.02 1.40 1.04 -1.26 -0.44 113.70 111.69 1jgd s SER 4 Ca 0.27 -0.88 0.01 0.00 0.48 0.00 0.00 55.95 55.83 1jgd s SER 4 Cb 0.05 0.26 0.01 0.00 0.10 0.00 0.00 66.02 66.45 1jgd s SER 4 CO 0.05 -0.66 -0.03 -0.32 0.98 0.00 0.00 173.24 173.26 1jgd s MET 5 N -3.90 0.47 -0.01 4.02 1.75 -0.04 -0.04 119.30 121.55 1jgd s MET 5 Ca 0.07 -0.06 0.01 0.00 -1.25 0.00 0.00 55.69 54.46 1jgd s MET 5 Cb 0.07 -0.53 0.00 0.00 2.84 0.00 0.00 34.83 37.20 1jgd s MET 5 CO -0.10 -0.03 -0.03 1.03 -0.65 0.00 0.00 175.02 175.23 1jgd s ARG 6 N 0.58 0.33 -0.15 4.11 1.81 -0.20 -1.57 118.95 123.86 1jgd s ARG 6 Ca -0.06 -0.11 -0.02 0.00 -1.72 0.00 0.00 55.73 53.82 1jgd s ARG 6 Cb -0.10 -0.34 -0.02 0.00 -0.45 0.00 0.00 34.95 34.04 1jgd s ARG 6 CO -0.01 0.05 -0.09 0.71 -0.68 0.00 0.00 175.30 175.28 1jgd s TYR 7 N 0.07 2.90 -0.07 -0.53 2.02 0.82 -0.69 117.35 121.88 1jgd s TYR 7 Ca -0.00 -0.57 0.01 0.00 -0.37 0.00 0.00 57.07 56.14 1jgd s TYR 7 Cb -0.03 -1.91 -0.03 0.00 -0.40 0.00 0.00 41.96 39.59 1jgd s TYR 7 CO -0.00 -0.19 -0.07 -0.06 -1.57 0.00 0.00 175.55 173.66 1jgd s PHE 8 N 0.48 2.94 0.00 2.71 0.08 0.80 -1.76 117.98 123.23 1jgd s PHE 8 Ca -0.07 0.02 0.01 0.00 0.12 0.00 0.00 56.93 57.02 1jgd s PHE 8 Cb -0.15 -1.71 -0.01 0.00 -0.57 0.00 0.00 43.02 40.58 1jgd s PHE 8 CO 0.04 0.34 -0.04 -1.01 -0.10 0.00 0.00 175.22 174.44 1jgd s HIS 9 N -0.82 0.36 -0.04 0.36 3.76 0.31 -1.24 115.29 117.98 1jgd s HIS 9 Ca 0.13 -0.13 -0.01 0.00 -0.15 0.00 0.00 55.06 54.89 1jgd s HIS 9 Cb -0.11 -0.23 0.03 0.00 1.11 0.00 0.00 32.58 33.38 1jgd s HIS 9 CO 0.02 -0.02 0.04 0.99 -0.85 0.00 0.00 174.74 174.91 1jgd s THR 10 N -0.29 0.05 -0.09 1.30 2.01 0.51 -1.23 115.64 117.91 1jgd s THR 10 Ca -0.01 0.29 0.02 0.00 0.31 0.00 0.00 61.69 62.30 1jgd s THR 10 Cb -0.03 -0.25 -0.02 0.00 0.01 0.00 0.00 72.50 72.21 1jgd s THR 10 CO -0.00 0.19 -0.13 -0.44 -0.69 0.00 0.00 174.62 173.55 1jgd s SER 11 N 1.87 4.08 -0.13 3.53 0.01 0.22 -0.91 113.70 122.37 1jgd s SER 11 Ca 0.02 -0.24 0.00 0.00 1.31 0.00 0.00 55.95 57.04 1jgd s SER 11 Cb -0.12 -1.24 0.02 0.00 0.21 0.00 0.00 66.02 64.89 1jgd s SER 11 CO -0.03 0.26 -0.12 -0.69 0.41 0.00 0.00 173.24 173.07 1jgd s VAL 12 N -0.22 1.37 0.50 3.43 1.01 0.44 -0.62 120.40 126.31 1jgd s VAL 12 Ca 0.01 -0.52 -0.19 0.00 0.00 0.00 0.00 61.98 61.28 1jgd s VAL 12 Cb -0.13 -1.31 -0.08 0.00 0.00 0.00 0.00 36.38 34.86 1jgd s VAL 12 CO 0.03 0.42 1.04 -0.94 0.00 0.00 0.00 175.10 175.65 1jgd s SER 13 N 1.46 6.28 -0.41 3.32 1.04 -0.08 -0.91 113.70 124.41 1jgd s SER 13 Ca 0.03 1.88 0.04 0.00 0.48 0.00 0.00 55.95 58.38 1jgd s SER 13 Cb -0.13 -2.55 0.17 0.00 0.10 0.00 0.00 66.02 63.60 1jgd s SER 13 CO -0.08 -0.82 0.38 -0.13 0.98 0.00 0.00 173.24 173.56 1jgd s ARG 14 N -3.42 0.83 0.22 4.02 1.81 -1.26 -4.10 118.95 117.05 1jgd s ARG 14 Ca 0.66 -1.66 -0.31 0.00 -1.72 0.00 0.00 55.73 52.70 1jgd s ARG 14 Cb -0.16 -1.10 -0.11 0.00 -0.45 0.00 0.00 34.95 33.13 1jgd s ARG 14 CO 0.23 -1.32 1.59 -1.25 -0.68 0.00 0.00 175.30 173.87 1jgd s PRO 15 N 0.54 4.18 0.00 3.54 0.04 -1.26 -1.10 135.00 140.94 1jgd s PRO 15 Ca 0.28 2.46 0.00 0.00 0.04 0.00 0.00 61.00 63.78 1jgd s PRO 15 Cb -0.04 -3.10 0.00 0.00 0.04 0.00 0.00 34.50 31.41 1jgd s PRO 15 CO -0.12 -0.62 0.00 0.41 0.04 0.00 0.00 177.00 176.71 1jgd n GLY 16 N 3.18 0.52 1.46 0.56 0.00 -1.26 -4.86 105.19 104.78 1jgd n GLY 16 Ca 0.12 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.16 1jgd n GLY 16 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jgd n ARG 17 N -2.88 0.04 0.00 1.61 1.74 -0.26 -5.15 116.66 111.77 1jgd n ARG 17 Ca 0.00 -1.88 0.00 0.00 -0.77 0.00 0.00 57.85 55.20 1jgd n ARG 17 Cb 0.01 0.04 0.00 0.00 -1.02 0.00 0.00 32.46 31.49 1jgd n ARG 17 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1jgd n GLY 18 N 0.40 -1.75 3.87 -0.13 0.00 -1.22 -4.92 105.19 101.43 1jgd n GLY 18 Ca 0.01 -1.67 -0.30 0.00 0.00 0.00 0.00 46.02 44.06 1jgd n GLY 18 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1jgd s GLU 19 N 0.00 2.52 0.23 1.61 2.02 -1.26 -4.41 118.70 119.41 1jgd s GLU 19 Ca 0.00 0.41 -0.31 0.00 0.02 0.00 0.00 54.97 55.08 1jgd s GLU 19 Cb 0.00 -1.99 -0.14 0.00 0.10 0.00 0.00 34.13 32.11 1jgd s GLU 19 CO 0.00 -1.27 1.36 -2.30 0.02 0.00 0.00 175.26 173.07 1jgd n PRO 20 N -3.15 1.88 -2.17 0.39 -0.02 -1.26 -4.55 135.00 126.11 1jgd n PRO 20 Ca 0.07 0.67 -0.42 0.00 -2.02 0.00 0.00 63.50 61.80 1jgd n PRO 20 Cb 0.58 -2.30 -0.03 0.00 -0.02 0.00 0.00 33.50 31.73 1jgd n PRO 20 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 1jgd s ARG 21 N -0.42 4.34 -0.15 -0.52 6.06 -0.09 -4.78 118.95 123.39 1jgd s ARG 21 Ca 0.69 2.09 0.01 0.00 -2.50 0.00 0.00 55.73 56.02 1jgd s ARG 21 Cb -0.68 -3.21 0.02 0.00 0.06 0.00 0.00 34.95 31.14 1jgd s ARG 21 CO 0.50 -0.36 -0.16 0.12 -2.50 0.00 0.00 175.30 172.91 1jgd s PHE 22 N 0.58 2.29 -0.05 5.12 5.36 -1.26 -0.42 117.98 129.60 1jgd s PHE 22 Ca 0.61 -1.29 0.02 0.00 -0.96 0.00 0.00 56.93 55.31 1jgd s PHE 22 Cb -0.37 -1.65 0.01 0.00 -0.34 0.00 0.00 43.02 40.67 1jgd s PHE 22 CO 0.35 -0.68 -0.09 0.42 -1.46 0.00 0.00 175.22 173.76 1jgd s ILE 23 N 1.40 0.84 0.00 3.12 1.01 -0.09 -0.84 121.20 126.65 1jgd s ILE 23 Ca 0.04 -0.32 0.01 0.00 0.00 0.00 0.00 60.65 60.37 1jgd s ILE 23 Cb -0.13 -0.79 -0.00 0.00 0.01 0.00 0.00 42.46 41.54 1jgd s ILE 23 CO -0.10 0.28 -0.02 0.28 0.00 0.00 0.00 174.94 175.38 1jgd s THR 24 N 0.66 0.16 0.07 2.92 -1.32 -0.20 -0.36 115.64 117.57 1jgd s THR 24 Ca -0.11 -0.19 0.03 0.00 -1.21 0.00 0.00 61.69 60.22 1jgd s THR 24 Cb -0.14 -0.16 -0.03 0.00 -1.51 0.00 0.00 72.50 70.66 1jgd s THR 24 CO 0.02 -0.02 -0.10 0.68 -2.21 0.00 0.00 174.62 172.99 1jgd s VAL 25 N -0.21 0.83 0.04 5.08 -7.23 -0.37 -0.19 120.40 118.36 1jgd s VAL 25 Ca -0.01 -1.38 0.09 0.00 -1.81 0.00 0.00 61.98 58.87 1jgd s VAL 25 Cb -0.02 -1.05 -0.03 0.00 0.56 0.00 0.00 36.38 35.85 1jgd s VAL 25 CO -0.00 -0.43 -0.24 -0.83 -0.31 0.00 0.00 175.10 173.28 1jgd s GLY 26 N -2.00 1.45 0.05 2.32 0.00 -0.06 -0.14 107.32 108.93 1jgd s GLY 26 Ca -0.01 -1.25 0.04 0.00 0.00 0.00 0.00 44.72 43.49 1jgd s GLY 26 CO 0.00 -1.14 -0.12 -0.19 0.00 0.00 0.00 173.10 171.66 1jgd s TYR 27 N -0.83 1.01 -0.15 1.90 1.51 0.13 -0.31 117.35 120.61 1jgd s TYR 27 Ca 0.12 -0.42 0.01 0.00 -1.01 0.00 0.00 57.07 55.78 1jgd s TYR 27 Cb -0.10 -0.59 0.00 0.00 -0.11 0.00 0.00 41.96 41.17 1jgd s TYR 27 CO 0.03 0.01 -0.18 0.08 -1.11 0.00 0.00 175.55 174.37 1jgd s VAL 28 N -1.11 2.38 0.00 0.71 1.01 -0.53 -1.03 120.40 121.83 1jgd s VAL 28 Ca -0.03 -0.87 0.00 0.00 0.00 0.00 0.00 61.98 61.08 1jgd s VAL 28 Cb -0.09 -1.98 0.00 0.00 0.00 0.00 0.00 36.38 34.31 1jgd s VAL 28 CO 0.01 0.53 0.00 0.47 0.00 0.00 0.00 175.10 176.11 1jgd n ASP 29 N 4.08 0.00 -1.74 3.32 8.00 0.94 -0.70 116.55 130.45 1jgd n ASP 29 Ca -0.20 0.00 0.07 0.00 0.71 0.00 0.00 54.79 55.37 1jgd n ASP 29 Cb 0.52 0.00 0.37 0.00 -0.02 0.00 0.00 41.12 41.98 1jgd n ASP 29 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1jgd n ASP 30 N 3.50 5.23 -4.41 -2.24 8.00 -1.26 -4.89 116.55 120.47 1jgd n ASP 30 Ca 0.00 -2.80 -0.36 0.00 0.71 0.00 0.00 54.79 52.34 1jgd n ASP 30 Cb 0.00 -0.66 -0.13 0.00 -0.02 0.00 0.00 41.12 40.31 1jgd n ASP 30 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1jgd s THR 31 N -2.53 4.09 0.10 -3.53 2.01 0.12 -5.00 115.64 110.90 1jgd s THR 31 Ca 0.49 -0.25 -0.31 0.00 0.31 0.00 0.00 61.69 61.94 1jgd s THR 31 Cb 0.37 -2.90 -0.07 0.00 0.01 0.00 0.00 72.50 69.91 1jgd s THR 31 CO 0.15 0.36 1.31 -0.22 -0.69 0.00 0.00 174.62 175.53 1jgd s LEU 32 N 1.58 4.37 0.00 4.42 2.96 -1.26 -1.46 118.68 129.30 1jgd s LEU 32 Ca 0.06 2.21 0.00 0.00 -0.22 0.00 0.00 54.13 56.18 1jgd s LEU 32 Cb -0.15 -3.58 0.00 0.00 0.50 0.00 0.00 46.19 42.96 1jgd s LEU 32 CO 0.02 -0.58 0.00 2.22 -1.32 0.00 0.00 176.35 176.69 1jgd n PHE 33 N 3.89 0.00 -3.98 5.38 -1.74 0.58 -3.94 117.46 117.65 1jgd n PHE 33 Ca 0.10 0.00 -0.09 0.00 -0.56 0.00 0.00 57.45 56.91 1jgd n PHE 33 Cb 0.44 0.00 -0.10 0.00 1.52 0.00 0.00 39.48 41.34 1jgd n PHE 33 CO 0.00 0.00 0.00 0.14 -0.56 0.00 0.00 176.76 176.34 1jgd s VAL 34 N -1.45 0.15 -0.03 1.97 -7.23 -1.17 -0.07 120.40 112.56 1jgd s VAL 34 Ca 0.00 -1.25 -0.14 0.00 -1.81 0.00 0.00 61.98 58.78 1jgd s VAL 34 Cb 0.00 -0.94 0.02 0.00 0.56 0.00 0.00 36.38 36.02 1jgd s VAL 34 CO 0.00 -0.69 0.30 0.00 -0.31 0.00 0.00 175.10 174.40 1jgd s ARG 35 N -2.76 0.60 -0.03 4.82 1.04 -0.66 -0.88 118.95 121.07 1jgd s ARG 35 Ca -0.04 -0.08 -0.01 0.00 -1.04 0.00 0.00 55.73 54.56 1jgd s ARG 35 Cb -0.00 0.27 0.02 0.00 -2.04 0.00 0.00 34.95 33.20 1jgd s ARG 35 CO -0.05 -0.15 0.07 0.12 -0.04 0.00 0.00 175.30 175.24 1jgd s PHE 36 N -1.04 -0.05 -0.08 5.89 2.19 0.73 -0.73 117.98 124.90 1jgd s PHE 36 Ca -0.11 0.22 -0.01 0.00 0.33 0.00 0.00 56.93 57.36 1jgd s PHE 36 Cb -0.05 -0.10 0.03 0.00 -1.31 0.00 0.00 43.02 41.59 1jgd s PHE 36 CO 0.03 -0.08 -0.02 0.34 1.83 0.00 0.00 175.22 177.32 1jgd s ASP 37 N 0.66 1.69 0.24 6.13 -1.08 -1.26 -1.04 116.67 122.02 1jgd s ASP 37 Ca -0.05 -0.15 0.21 0.00 -0.52 0.00 0.00 52.55 52.04 1jgd s ASP 37 Cb -0.07 -0.55 0.95 0.00 -1.46 0.00 0.00 42.92 41.79 1jgd s ASP 37 CO -0.02 -0.16 1.63 -1.54 0.52 0.00 0.00 175.17 175.60 1jgd n SER 38 N 4.98 0.54 -0.92 -0.34 3.41 -0.02 -1.77 113.62 119.50 1jgd n SER 38 Ca -0.10 0.67 0.06 0.00 -0.26 0.00 0.00 58.87 59.24 1jgd n SER 38 Cb 0.50 -0.77 0.20 0.00 -0.26 0.00 0.00 64.21 63.87 1jgd n SER 38 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1jgd n ASP 39 N -2.14 2.64 -4.89 4.04 2.03 -1.26 -4.80 116.55 112.17 1jgd n ASP 39 Ca 0.01 -2.16 -0.29 0.00 0.52 0.00 0.00 54.79 52.87 1jgd n ASP 39 Cb 0.15 -0.38 0.01 0.00 -0.72 0.00 0.00 41.12 40.18 1jgd n ASP 39 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1jgd s ALA 40 N -1.61 3.23 -0.40 -1.67 0.00 -0.73 -5.00 121.76 115.58 1jgd s ALA 40 Ca 0.28 -0.31 -0.29 0.00 0.00 0.00 0.00 51.96 51.64 1jgd s ALA 40 Cb 0.17 -2.84 0.01 0.00 0.00 0.00 0.00 23.12 20.46 1jgd s ALA 40 CO 0.16 -0.58 1.30 0.00 0.00 0.00 0.00 175.76 176.64 1jgd s ALA 41 N -3.00 3.16 -0.98 0.00 0.00 -1.26 -3.65 121.76 116.03 1jgd s ALA 41 Ca 0.52 -0.19 -0.06 0.00 0.00 0.00 0.00 51.96 52.23 1jgd s ALA 41 Cb -0.11 -3.88 -0.05 0.00 0.00 0.00 0.00 23.12 19.08 1jgd s ALA 41 CO 0.50 -2.19 0.85 0.45 0.00 0.00 0.00 175.76 175.36 1jgd n SER 42 N 8.23 -6.73 -4.38 0.00 2.88 -1.26 -4.83 113.62 107.52 1jgd n SER 42 Ca 0.15 -0.60 -0.57 0.00 -1.33 0.00 0.00 58.87 56.51 1jgd n SER 42 Cb 0.48 -4.95 -0.08 0.00 -0.75 0.00 0.00 64.21 58.91 1jgd n SER 42 CO 0.00 0.00 0.00 -2.65 -1.23 0.00 0.00 175.04 171.16 1jgd n PRO 43 N -2.99 0.00 -3.88 -1.46 -0.02 -1.24 -5.01 135.00 120.39 1jgd n PRO 43 Ca -0.06 0.00 -0.10 0.00 -2.02 0.00 0.00 63.50 61.32 1jgd n PRO 43 Cb 0.59 -1.44 -0.09 0.00 -0.02 0.00 0.00 33.50 32.53 1jgd n PRO 43 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1jgd s ARG 44 N -0.03 0.57 0.21 -0.52 0.52 -1.26 -5.04 118.95 113.41 1jgd s ARG 44 Ca 0.88 -0.58 -0.30 0.00 -0.52 0.00 0.00 55.73 55.21 1jgd s ARG 44 Cb -1.23 0.23 -0.08 0.00 0.52 0.00 0.00 34.95 34.40 1jgd s ARG 44 CO 0.55 -0.15 1.09 -2.00 0.02 0.00 0.00 175.30 174.82 1jgd s GLU 45 N -2.12 4.63 0.10 3.54 2.12 -1.26 -4.66 118.70 121.05 1jgd s GLU 45 Ca -0.09 1.73 0.10 0.00 0.36 0.00 0.00 54.97 57.07 1jgd s GLU 45 Cb -0.04 -3.25 -0.04 0.00 0.26 0.00 0.00 34.13 31.07 1jgd s GLU 45 CO -0.02 0.15 -0.25 -1.21 -0.54 0.00 0.00 175.26 173.38 1jgd s GLU 46 N -0.76 1.42 0.51 4.30 2.02 0.09 -4.91 118.70 121.38 1jgd s GLU 46 Ca 0.47 -1.24 -0.20 0.00 0.02 0.00 0.00 54.97 54.02 1jgd s GLU 46 Cb -0.30 -1.79 -0.07 0.00 0.10 0.00 0.00 34.13 32.06 1jgd s GLU 46 CO 0.37 0.43 1.07 -1.25 0.02 0.00 0.00 175.26 175.90 1jgd s PRO 47 N -1.82 3.60 0.00 0.39 0.04 -1.26 -1.65 135.00 134.29 1jgd s PRO 47 Ca 0.12 1.45 0.00 0.00 0.04 0.00 0.00 61.00 62.60 1jgd s PRO 47 Cb -0.10 -2.06 0.00 0.00 0.04 0.00 0.00 34.50 32.38 1jgd s PRO 47 CO 0.05 -0.61 0.59 0.54 0.04 0.00 0.00 177.00 177.60 1jgd n ARG 48 N -1.16 0.83 -3.88 4.56 5.12 0.90 -4.86 116.66 118.17 1jgd n ARG 48 Ca 0.10 -0.74 -0.11 0.00 -1.93 0.00 0.00 57.85 55.17 1jgd n ARG 48 Cb 0.52 -0.69 -0.12 0.00 -1.16 0.00 0.00 32.46 31.01 1jgd n ARG 48 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1jgd s ALA 49 N -0.30 -0.16 0.31 7.54 0.00 -1.24 -4.66 121.76 123.25 1jgd s ALA 49 Ca 0.00 -0.01 0.02 0.00 0.00 0.00 0.00 51.96 51.97 1jgd s ALA 49 Cb 0.00 -0.03 0.50 0.00 0.00 0.00 0.00 23.12 23.59 1jgd s ALA 49 CO 0.00 -0.10 1.84 -1.00 0.00 0.00 0.00 175.76 176.50 1jgd h PRO 50 N 5.39 0.65 0.00 0.00 0.13 -1.94 -2.81 132.00 133.42 1jgd h PRO 50 Ca -0.27 -0.14 0.00 0.00 -0.87 0.00 0.00 66.00 64.71 1jgd h PRO 50 Cb 1.20 -0.09 0.00 0.00 0.13 0.00 0.00 31.00 32.24 1jgd h PRO 50 CO 0.44 0.65 0.00 -2.67 -0.23 0.00 0.00 178.00 176.18 1jgd n TRP 51 N -4.26 0.00 0.46 1.56 4.27 -1.26 -2.23 117.44 115.97 1jgd n TRP 51 Ca 0.02 0.00 0.11 0.00 -3.89 0.00 0.00 57.50 53.74 1jgd n TRP 51 Cb 0.25 -0.32 -0.13 0.00 -1.36 0.00 0.00 31.31 29.76 1jgd n TRP 51 CO 0.00 0.00 0.00 1.51 -2.29 0.00 0.00 177.69 176.91 1jgd n ILE 52 N -1.32 0.03 0.26 -1.67 0.13 -1.06 -4.29 119.36 111.44 1jgd n ILE 52 Ca 0.09 -0.27 0.09 0.00 -1.10 0.00 0.00 62.75 61.56 1jgd n ILE 52 Cb 0.17 0.41 0.67 0.00 -0.84 0.00 0.00 39.64 40.05 1jgd n ILE 52 CO 0.00 0.00 0.00 -0.33 2.80 0.00 0.00 176.55 179.02 1jgd h GLU 53 N 0.00 0.00 0.00 9.51 5.08 -1.53 -1.24 114.58 126.39 1jgd h GLU 53 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1jgd h GLU 53 Cb 0.77 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.02 1jgd h GLU 53 CO 0.00 0.09 0.00 0.00 -1.00 0.00 0.00 179.01 178.10 1jgd n GLN 54 N -4.13 0.14 -1.98 2.33 10.64 -1.26 -4.75 117.38 118.37 1jgd n GLN 54 Ca -0.03 0.41 -0.40 0.00 -1.83 0.00 0.00 57.00 55.16 1jgd n GLN 54 Cb 0.18 -1.79 0.00 0.00 -0.86 0.00 0.00 30.24 27.77 1jgd n GLN 54 CO 0.00 0.00 0.00 -1.21 -1.83 0.00 0.00 177.06 174.02 1jgd s GLU 55 N -3.26 3.88 1.12 2.61 0.41 -0.47 -4.98 118.70 118.01 1jgd s GLU 55 Ca 0.04 2.23 -0.17 0.00 -0.41 0.00 0.00 54.97 56.66 1jgd s GLU 55 Cb 0.09 -2.72 0.25 0.00 -1.78 0.00 0.00 34.13 29.96 1jgd s GLU 55 CO 0.33 -0.59 1.15 0.20 -0.49 0.00 0.00 175.26 175.86 1jgd s GLY 56 N -0.68 1.61 0.35 -1.39 0.00 -1.26 -4.82 107.32 101.13 1jgd s GLY 56 Ca 0.58 -0.89 0.03 0.00 0.00 0.00 0.00 44.72 44.43 1jgd s GLY 56 CO 0.51 -0.08 1.97 -0.56 0.00 0.00 0.00 173.10 174.93 1jgd h PRO 57 N -2.26 0.75 -0.48 2.90 0.13 -1.97 -2.11 132.00 128.96 1jgd h PRO 57 Ca -0.46 -0.08 -0.02 0.00 -0.87 0.00 0.00 66.00 64.57 1jgd h PRO 57 Cb 1.29 -0.15 -0.02 0.00 0.13 0.00 0.00 31.00 32.24 1jgd h PRO 57 CO 0.40 0.56 0.20 0.93 -0.23 0.00 0.00 178.00 179.85 1jgd h GLU 58 N 0.76 0.68 0.35 0.86 5.08 -1.99 0.19 114.58 120.51 1jgd h GLU 58 Ca 0.19 -0.09 -0.02 0.00 -1.00 0.00 0.00 59.36 58.45 1jgd h GLU 58 Cb 0.03 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.15 1jgd h GLU 58 CO -0.03 0.55 -0.17 -0.92 -1.00 0.00 0.00 179.01 177.45 1jgd h TYR 59 N 0.68 -0.43 -0.71 4.33 3.20 -1.74 -0.38 116.97 121.92 1jgd h TYR 59 Ca 0.17 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.01 1jgd h TYR 59 Cb 0.12 0.14 -0.03 0.00 1.54 0.00 0.00 36.73 38.50 1jgd h TYR 59 CO 0.01 -0.22 0.38 -1.49 -1.64 0.00 0.00 178.16 175.20 1jgd h TRP 60 N -0.54 0.96 -0.56 -3.82 4.06 -1.17 0.08 115.95 114.96 1jgd h TRP 60 Ca -0.05 -0.02 -0.08 0.00 2.06 0.00 0.00 58.89 60.81 1jgd h TRP 60 Cb 0.41 -0.31 -0.02 0.00 -1.00 0.00 0.00 29.16 28.24 1jgd h TRP 60 CO -0.03 0.67 0.05 -0.44 -3.56 0.00 0.00 178.44 175.13 1jgd h ASP 61 N 0.99 0.92 -0.31 -3.49 3.32 -0.51 -0.91 116.42 116.43 1jgd h ASP 61 Ca 0.25 -0.28 -0.07 0.00 0.02 0.00 0.00 57.03 56.95 1jgd h ASP 61 Cb 0.03 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.33 1jgd h ASP 61 CO -0.04 0.98 -0.07 -0.09 -1.72 0.00 0.00 179.24 178.30 1jgd h ARG 62 N 0.84 0.60 -0.28 3.56 2.43 -0.72 -0.77 114.38 120.04 1jgd h ARG 62 Ca 0.16 -0.23 0.04 0.00 -0.81 0.00 0.00 59.98 59.14 1jgd h ARG 62 Cb 0.47 -0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 29.95 1jgd h ARG 62 CO 0.02 0.78 0.07 0.93 -1.51 0.00 0.00 179.97 180.26 1jgd h GLU 63 N 0.37 0.17 -0.74 0.20 4.39 -0.87 -0.14 114.58 117.96 1jgd h GLU 63 Ca 0.08 -0.01 -0.02 0.00 0.34 0.00 0.00 59.36 59.75 1jgd h GLU 63 Cb 0.56 -0.04 -0.03 0.00 -0.10 0.00 0.00 28.75 29.13 1jgd h GLU 63 CO 0.03 0.11 0.37 1.15 -1.16 0.00 0.00 179.01 179.51 1jgd h THR 64 N 0.18 1.23 -0.34 1.13 2.02 -1.06 0.78 112.91 116.84 1jgd h THR 64 Ca 0.13 -0.64 0.03 0.00 0.77 0.00 0.00 66.41 66.70 1jgd h THR 64 Cb 0.12 0.30 -0.03 0.00 -1.74 0.00 0.00 68.15 66.80 1jgd h THR 64 CO -0.16 0.27 0.17 -0.61 0.37 0.00 0.00 175.52 175.56 1jgd h GLN 65 N 1.03 0.34 -0.62 6.66 4.15 -0.72 0.14 115.11 126.09 1jgd h GLN 65 Ca 0.26 -0.02 -0.00 0.00 0.77 0.00 0.00 58.65 59.65 1jgd h GLN 65 Cb 0.09 -0.08 -0.03 0.00 0.21 0.00 0.00 27.48 27.68 1jgd h GLN 65 CO -0.04 0.22 0.37 0.82 -1.93 0.00 0.00 178.83 178.28 1jgd h ILE 66 N 0.35 1.18 -0.39 2.39 2.04 -0.68 0.64 117.51 123.05 1jgd h ILE 66 Ca 0.15 -0.41 -0.01 0.00 1.00 0.00 0.00 64.86 65.59 1jgd h ILE 66 Cb 0.06 0.33 -0.02 0.00 -0.74 0.00 0.00 36.82 36.45 1jgd h ILE 66 CO -0.10 0.19 0.22 0.00 0.00 0.00 0.00 178.15 178.46 1jgd h LYS 68 N 0.51 0.92 -0.39 0.00 1.57 -0.43 -1.32 116.57 117.43 1jgd h LYS 68 Ca 0.14 -0.19 -0.12 0.00 -1.87 0.00 0.00 60.65 58.61 1jgd h LYS 68 Cb 0.03 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.19 1jgd h LYS 68 CO -0.02 0.81 -0.23 0.00 -0.57 0.00 0.00 179.45 179.43 1jgd h ALA 69 N 1.28 0.85 -0.35 3.86 0.00 -0.44 -2.31 119.26 122.15 1jgd h ALA 69 Ca 0.19 -0.38 -0.14 0.00 0.00 0.00 0.00 54.91 54.58 1jgd h ALA 69 Cb 0.30 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1jgd h ALA 69 CO -0.00 0.64 -0.33 -0.22 0.00 0.00 0.00 179.25 179.33 1jgd h LYS 70 N 0.68 0.85 -0.75 0.00 1.63 -0.77 0.25 116.57 118.47 1jgd h LYS 70 Ca 0.09 -0.44 0.08 0.00 -0.85 0.00 0.00 60.65 59.53 1jgd h LYS 70 Cb 0.75 0.01 -0.07 0.00 -0.60 0.00 0.00 32.23 32.33 1jgd h LYS 70 CO 0.06 1.08 0.41 0.00 -3.45 0.00 0.00 179.45 177.55 1jgd h ALA 71 N 0.75 1.03 -0.34 5.00 0.00 -1.03 0.33 119.26 125.00 1jgd h ALA 71 Ca 0.06 0.03 -0.17 0.00 0.00 0.00 0.00 54.91 54.83 1jgd h ALA 71 Cb 0.92 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.59 1jgd h ALA 71 CO 0.08 0.05 -0.45 1.96 0.00 0.00 0.00 179.25 180.90 1jgd h GLN 72 N 0.72 0.89 -0.01 0.00 1.08 -0.78 -2.85 115.11 114.16 1jgd h GLN 72 Ca 0.35 -0.50 -0.18 0.00 -1.45 0.00 0.00 58.65 56.87 1jgd h GLN 72 Cb 0.29 0.03 -0.01 0.00 -0.05 0.00 0.00 27.48 27.74 1jgd h GLN 72 CO -0.23 1.15 -0.81 1.79 -0.95 0.00 0.00 178.83 179.78 1jgd h THR 73 N 0.71 1.50 -0.72 -0.54 1.35 -0.16 -2.17 112.91 112.87 1jgd h THR 73 Ca 0.04 -2.54 0.11 0.00 -0.55 0.00 0.00 66.41 63.47 1jgd h THR 73 Cb 1.05 2.39 -0.05 0.00 -1.73 0.00 0.00 68.15 69.81 1jgd h THR 73 CO 0.10 0.74 0.47 0.44 -0.25 0.00 0.00 175.52 177.03 1jgd h ASP 74 N 0.09 0.51 -0.67 5.36 5.19 -0.34 0.11 116.42 126.66 1jgd h ASP 74 Ca -0.03 0.02 -0.06 0.00 -0.62 0.00 0.00 57.03 56.33 1jgd h ASP 74 Cb 1.41 -0.09 -0.03 0.00 0.18 0.00 0.00 39.33 40.80 1jgd h ASP 74 CO 0.12 0.30 0.17 0.03 -3.12 0.00 0.00 179.24 176.73 1jgd h ARG 75 N 0.56 1.07 -0.52 3.56 3.08 -1.15 0.15 114.38 121.13 1jgd h ARG 75 Ca 0.34 -0.26 -0.08 0.00 0.07 0.00 0.00 59.98 60.05 1jgd h ARG 75 Cb 0.55 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 30.44 1jgd h ARG 75 CO -0.12 0.96 0.02 0.93 -1.07 0.00 0.00 179.97 180.69 1jgd h GLU 76 N 1.00 0.91 -0.59 0.04 5.08 -0.92 -1.79 114.58 118.31 1jgd h GLU 76 Ca 0.21 -0.28 -0.09 0.00 -1.00 0.00 0.00 59.36 58.20 1jgd h GLU 76 Cb 0.36 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.50 1jgd h GLU 76 CO 0.00 0.92 0.01 -0.44 -1.00 0.00 0.00 179.01 178.51 1jgd h ASP 77 N 0.78 0.98 -0.75 1.42 3.32 -0.50 -0.51 116.42 121.16 1jgd h ASP 77 Ca 0.15 -0.26 -0.01 0.00 0.02 0.00 0.00 57.03 56.93 1jgd h ASP 77 Cb 0.50 -0.26 -0.04 0.00 0.22 0.00 0.00 39.33 39.75 1jgd h ASP 77 CO 0.02 1.03 0.43 -0.07 -1.72 0.00 0.00 179.24 178.93 1jgd h LEU 78 N 0.93 0.93 -0.40 1.55 3.38 -0.55 0.16 115.31 121.31 1jgd h LEU 78 Ca 0.17 -0.07 -0.06 0.00 0.09 0.00 0.00 57.88 58.01 1jgd h LEU 78 Cb 0.52 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 1jgd h LEU 78 CO 0.03 0.74 0.01 0.03 0.09 0.00 0.00 178.44 179.33 1jgd h ARG 79 N 1.06 0.70 -0.41 1.13 3.08 -0.66 -0.43 114.38 118.85 1jgd h ARG 79 Ca 0.27 -0.22 0.00 0.00 0.07 0.00 0.00 59.98 60.11 1jgd h ARG 79 Cb -0.00 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 29.96 1jgd h ARG 79 CO -0.05 0.78 0.26 1.15 -1.07 0.00 0.00 179.97 181.04 1jgd h THR 80 N 0.53 1.12 -0.68 2.04 2.02 -0.37 -1.16 112.91 116.41 1jgd h THR 80 Ca 0.11 -0.25 0.01 0.00 0.77 0.00 0.00 66.41 67.05 1jgd h THR 80 Cb 0.46 0.56 -0.03 0.00 -1.74 0.00 0.00 68.15 67.39 1jgd h THR 80 CO 0.02 0.12 0.45 -0.07 0.37 0.00 0.00 175.52 176.41 1jgd h LEU 81 N 0.54 0.77 -0.85 2.58 3.38 -0.53 0.16 115.31 121.36 1jgd h LEU 81 Ca 0.15 -0.02 0.08 0.00 0.09 0.00 0.00 57.88 58.18 1jgd h LEU 81 Cb -0.03 -0.19 -0.07 0.00 0.09 0.00 0.00 40.66 40.46 1jgd h LEU 81 CO -0.03 0.56 0.51 0.25 0.09 0.00 0.00 178.44 179.82 1jgd h LEU 82 N 0.92 0.75 -0.08 1.67 5.85 -0.76 0.15 115.31 123.82 1jgd h LEU 82 Ca 0.25 0.04 -0.02 0.00 0.84 0.00 0.00 57.88 58.99 1jgd h LEU 82 Cb -0.10 -0.12 -0.00 0.00 0.37 0.00 0.00 40.66 40.81 1jgd h LEU 82 CO -0.06 0.45 -0.02 -0.09 -0.34 0.00 0.00 178.44 178.39 1jgd h ARG 83 N 0.87 0.15 -0.41 1.25 2.43 0.05 0.55 114.38 119.27 1jgd h ARG 83 Ca 0.39 -0.06 0.06 0.00 -0.81 0.00 0.00 59.98 59.57 1jgd h ARG 83 Cb 0.30 -0.01 -0.05 0.00 -0.42 0.00 0.00 29.97 29.78 1jgd h ARG 83 CO -0.22 0.47 0.10 1.88 -1.51 0.00 0.00 179.97 180.70 1jgd h TYR 84 N -0.19 0.18 -0.11 2.20 0.05 -0.24 -1.90 116.97 116.96 1jgd h TYR 84 Ca 0.02 0.02 0.00 0.00 0.05 0.00 0.00 58.73 58.82 1jgd h TYR 84 Cb 0.42 -0.02 0.00 0.00 1.01 0.00 0.00 36.73 38.14 1jgd h TYR 84 CO 0.05 0.04 0.00 0.66 -1.05 0.00 0.00 178.16 177.86 1jgd n TYR 85 N -5.07 0.14 -3.80 4.88 4.01 -0.00 -4.89 117.16 112.42 1jgd n TYR 85 Ca 0.03 -0.07 -0.26 0.00 -0.16 0.00 0.00 57.90 57.44 1jgd n TYR 85 Cb 0.18 0.00 0.04 0.00 -0.31 0.00 0.00 39.34 39.24 1jgd n TYR 85 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 1jgd n ASN 86 N -0.11 -3.75 -4.95 7.72 5.15 -0.19 -4.95 115.26 114.18 1jgd n ASN 86 Ca 0.14 -0.76 -0.23 0.00 -0.60 0.00 0.00 54.58 53.13 1jgd n ASN 86 Cb 0.22 -4.10 -0.02 0.00 -0.53 0.00 0.00 39.78 35.35 1jgd n ASN 86 CO 0.00 0.00 0.00 -1.10 1.40 0.00 0.00 177.26 177.56 1jgd s GLN 87 N -6.35 3.48 0.53 1.20 -0.21 0.01 -5.04 119.66 113.27 1jgd s GLN 87 Ca 0.43 -0.47 -0.18 0.00 0.02 0.00 0.00 55.36 55.16 1jgd s GLN 87 Cb -0.21 -2.76 -0.07 0.00 1.00 0.00 0.00 33.01 30.97 1jgd s GLN 87 CO 0.81 0.27 1.03 -1.12 -2.12 0.00 0.00 175.29 174.17 1jgd s SER 88 N -3.89 6.22 0.13 5.90 0.01 -1.26 -4.81 113.70 115.99 1jgd s SER 88 Ca 0.38 1.82 0.21 0.00 1.31 0.00 0.00 55.95 59.68 1jgd s SER 88 Cb -0.10 -2.54 0.86 0.00 0.21 0.00 0.00 66.02 64.45 1jgd s SER 88 CO 0.33 -0.87 1.66 -0.62 0.41 0.00 0.00 173.24 174.15 1jgd n GLU 89 N -1.41 0.11 0.14 12.44 -0.58 -1.26 -3.15 120.64 126.92 1jgd n GLU 89 Ca 0.09 0.29 0.12 0.00 -0.42 0.00 0.00 57.16 57.23 1jgd n GLU 89 Cb 0.53 -1.69 0.22 0.00 -0.57 0.00 0.00 31.44 29.93 1jgd n GLU 89 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1jgd h ALA 90 N 2.47 0.84 -2.46 0.62 0.00 -1.97 -3.42 119.26 115.34 1jgd h ALA 90 Ca 0.00 0.00 -0.52 0.00 0.00 0.00 0.00 54.91 54.39 1jgd h ALA 90 Cb 0.39 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 1jgd h ALA 90 CO 0.00 0.00 -0.15 0.20 0.00 0.00 0.00 179.25 179.30 1jgd s GLY 91 N -3.93 1.94 0.02 0.00 0.00 -1.19 -4.71 107.32 99.45 1jgd s GLY 91 Ca 0.07 -0.52 -0.23 0.00 0.00 0.00 0.00 44.72 44.05 1jgd s GLY 91 CO 0.68 -0.40 0.68 -0.45 0.00 0.00 0.00 173.10 173.60 1jgd s SER 92 N -3.00 7.09 0.19 1.64 0.15 -1.26 -4.68 113.70 113.84 1jgd s SER 92 Ca 0.44 1.30 0.06 0.00 0.70 0.00 0.00 55.95 58.45 1jgd s SER 92 Cb -0.11 -2.42 -0.05 0.00 -1.71 0.00 0.00 66.02 61.74 1jgd s SER 92 CO 0.28 0.06 -0.10 -1.00 1.20 0.00 0.00 173.24 173.68 1jgd s HIS 93 N -0.11 1.54 -0.03 3.44 3.76 -1.26 -4.94 115.29 117.70 1jgd s HIS 93 Ca 0.35 -0.70 0.05 0.00 -0.15 0.00 0.00 55.06 54.61 1jgd s HIS 93 Cb -0.19 -0.78 -0.01 0.00 1.11 0.00 0.00 32.58 32.71 1jgd s HIS 93 CO 0.20 0.20 -0.20 0.99 -0.85 0.00 0.00 174.74 175.08 1jgd s THR 94 N -3.17 1.59 -0.14 1.30 2.01 -1.26 -0.90 115.64 115.06 1jgd s THR 94 Ca 0.22 -0.83 -0.00 0.00 0.31 0.00 0.00 61.69 61.39 1jgd s THR 94 Cb 0.02 -1.34 0.03 0.00 0.01 0.00 0.00 72.50 71.22 1jgd s THR 94 CO 0.05 0.45 -0.10 -0.22 -0.69 0.00 0.00 174.62 174.11 1jgd s LEU 95 N -0.23 1.54 0.11 4.42 2.96 0.20 -0.06 118.68 127.63 1jgd s LEU 95 Ca 0.02 -0.48 0.09 0.00 -0.22 0.00 0.00 54.13 53.53 1jgd s LEU 95 Cb -0.10 -1.02 -0.04 0.00 0.50 0.00 0.00 46.19 45.53 1jgd s LEU 95 CO 0.01 -0.11 -0.17 -1.10 -1.32 0.00 0.00 176.35 173.67 1jgd s GLN 96 N 1.59 1.85 -0.10 1.98 -0.21 -0.07 -0.61 119.66 124.09 1jgd s GLN 96 Ca 0.04 -1.14 -0.05 0.00 0.02 0.00 0.00 55.36 54.23 1jgd s GLN 96 Cb -0.13 -2.15 0.05 0.00 1.00 0.00 0.00 33.01 31.77 1jgd s GLN 96 CO -0.09 0.49 0.23 1.21 -2.12 0.00 0.00 175.29 175.00 1jgd s ASN 97 N -2.12 -0.10 -0.03 5.90 3.04 -0.36 -0.73 114.94 120.53 1jgd s ASN 97 Ca 0.18 0.49 0.07 0.00 0.04 0.00 0.00 52.86 53.64 1jgd s ASN 97 Cb -0.11 0.40 -0.02 0.00 -1.54 0.00 0.00 41.25 39.99 1jgd s ASN 97 CO 0.10 -0.18 -0.24 -0.32 -3.04 0.00 0.00 177.10 173.42 1jgd s MET 98 N 1.46 2.19 0.10 0.43 -2.45 -0.26 -0.53 119.30 120.24 1jgd s MET 98 Ca -0.07 -0.88 -0.07 0.00 -1.25 0.00 0.00 55.69 53.42 1jgd s MET 98 Cb -0.11 -2.00 -0.01 0.00 1.25 0.00 0.00 34.83 33.96 1jgd s MET 98 CO -0.08 0.47 0.16 1.52 1.05 0.00 0.00 175.02 178.14 1jgd s TYR 99 N -0.40 0.30 -4.49 4.11 -0.85 -0.72 -1.12 117.35 114.18 1jgd s TYR 99 Ca 0.04 -0.74 0.00 0.00 -0.52 0.00 0.00 57.07 55.86 1jgd s TYR 99 Cb -0.11 -0.14 0.00 0.00 0.38 0.00 0.00 41.96 42.09 1jgd s TYR 99 CO 0.01 -0.55 0.00 0.41 -1.52 0.00 0.00 175.55 173.90 1jgd n GLY 100 N -0.06 -1.45 3.14 5.49 0.00 -0.83 -0.12 105.19 111.35 1jgd n GLY 100 Ca -0.13 -1.19 -0.08 0.00 0.00 0.00 0.00 46.02 44.62 1jgd n GLY 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jgd s ASP 102 N -2.68 3.52 0.15 0.00 1.01 0.24 -0.86 116.67 118.04 1jgd s ASP 102 Ca 0.03 -0.50 0.10 0.00 0.71 0.00 0.00 52.55 52.89 1jgd s ASP 102 Cb 0.04 -0.47 -0.04 0.00 1.01 0.00 0.00 42.92 43.46 1jgd s ASP 102 CO -0.09 0.26 -0.23 0.68 0.21 0.00 0.00 175.17 176.00 1jgd s VAL 103 N -0.87 2.07 0.34 -1.27 -7.23 0.42 -0.10 120.40 113.74 1jgd s VAL 103 Ca 0.13 -1.83 -0.05 0.00 -1.81 0.00 0.00 61.98 58.42 1jgd s VAL 103 Cb -0.10 -1.90 0.08 0.00 0.56 0.00 0.00 36.38 35.01 1jgd s VAL 103 CO 0.04 -0.10 0.46 0.61 -0.31 0.00 0.00 175.10 175.80 1jgd n GLY 104 N 0.61 -0.97 0.05 2.32 0.00 -0.36 -1.32 105.19 105.52 1jgd n GLY 104 Ca -0.16 -1.73 0.09 0.00 0.00 0.00 0.00 46.02 44.22 1jgd n GLY 104 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1jgd n PRO 105 N -1.96 0.08 -0.21 1.61 -0.04 -1.24 -1.23 135.00 132.02 1jgd n PRO 105 Ca 0.06 0.33 0.11 0.00 -0.04 0.00 0.00 63.50 63.96 1jgd n PRO 105 Cb 0.21 -1.65 0.27 0.00 -0.04 0.00 0.00 33.50 32.28 1jgd n PRO 105 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1jgd n ASP 106 N -1.81 2.91 0.00 3.54 5.75 -1.26 -4.94 116.55 120.74 1jgd n ASP 106 Ca 0.03 -1.93 0.00 0.00 -0.01 0.00 0.00 54.79 52.87 1jgd n ASP 106 Cb 0.19 -0.27 0.00 0.00 -1.03 0.00 0.00 41.12 40.01 1jgd n ASP 106 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1jgd n GLY 107 N 1.39 0.47 3.86 6.12 0.00 -0.36 -5.02 105.19 111.65 1jgd n GLY 107 Ca 0.19 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.87 1jgd n GLY 107 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1jgd s ARG 108 N -0.43 3.86 -0.04 1.61 0.52 -1.26 -4.73 118.95 118.48 1jgd s ARG 108 Ca 0.00 0.34 -0.38 0.00 -0.52 0.00 0.00 55.73 55.17 1jgd s ARG 108 Cb 0.00 -2.82 -0.16 0.00 0.52 0.00 0.00 34.95 32.49 1jgd s ARG 108 CO 0.00 0.42 1.50 -0.11 0.02 0.00 0.00 175.30 177.13 1jgd n LEU 109 N 0.40 1.99 -0.11 2.53 7.94 -1.26 -1.23 117.00 127.26 1jgd n LEU 109 Ca -0.03 1.10 -0.16 0.00 -1.11 0.00 0.00 56.01 55.81 1jgd n LEU 109 Cb 0.52 -1.18 -0.10 0.00 0.53 0.00 0.00 43.42 43.19 1jgd n LEU 109 CO 0.44 -0.79 -1.22 0.18 -1.11 0.00 0.00 177.39 174.89 1jgd n LEU 110 N 3.63 2.95 -3.59 -1.96 4.77 0.85 -4.78 117.00 118.87 1jgd n LEU 110 Ca 0.21 -0.11 -0.14 0.00 -0.03 0.00 0.00 56.01 55.94 1jgd n LEU 110 Cb 0.17 -0.77 -0.06 0.00 -2.33 0.00 0.00 43.42 40.43 1jgd n LEU 110 CO 0.69 0.86 0.51 -0.60 -1.33 0.00 0.00 177.39 177.52 1jgd s ARG 111 N -2.44 0.84 0.21 3.23 3.52 -1.16 -4.98 118.95 118.17 1jgd s ARG 111 Ca -0.30 0.58 0.09 0.00 -0.13 0.00 0.00 55.73 55.98 1jgd s ARG 111 Cb 0.08 0.40 -0.04 0.00 -1.56 0.00 0.00 34.95 33.83 1jgd s ARG 111 CO 0.51 -0.19 -0.09 0.20 -0.81 0.00 0.00 175.30 174.92 1jgd s GLY 112 N -0.37 1.72 0.02 8.12 0.00 -1.26 -0.60 107.32 114.95 1jgd s GLY 112 Ca -0.04 -1.55 0.00 0.00 0.00 0.00 0.00 44.72 43.14 1jgd s GLY 112 CO 0.03 -1.58 -0.03 -0.19 0.00 0.00 0.00 173.10 171.33 1jgd s TYR 113 N -1.89 0.24 -0.30 1.90 2.02 0.29 -4.76 117.35 114.85 1jgd s TYR 113 Ca 0.26 -0.47 -0.06 0.00 -0.37 0.00 0.00 57.07 56.44 1jgd s TYR 113 Cb -0.08 -0.17 0.18 0.00 -0.40 0.00 0.00 41.96 41.49 1jgd s TYR 113 CO 0.16 -0.16 0.78 -1.58 -1.57 0.00 0.00 175.55 173.17 1jgd s HIS 114 N -1.28 -1.18 0.04 2.71 2.46 -1.26 -1.97 115.29 114.81 1jgd s HIS 114 Ca -0.14 1.25 -0.11 0.00 0.47 0.00 0.00 55.06 56.53 1jgd s HIS 114 Cb -0.09 0.41 0.01 0.00 -0.13 0.00 0.00 32.58 32.78 1jgd s HIS 114 CO -0.01 -0.65 0.22 1.14 -2.47 0.00 0.00 174.74 172.98 1jgd s GLN 115 N 2.90 0.72 0.08 2.88 -2.07 -0.28 0.09 119.66 123.99 1jgd s GLN 115 Ca 0.12 -0.59 0.03 0.00 -1.82 0.00 0.00 55.36 53.10 1jgd s GLN 115 Cb -0.13 0.30 -0.03 0.00 -1.09 0.00 0.00 33.01 32.06 1jgd s GLN 115 CO -0.17 -0.22 -0.10 -1.01 -1.32 0.00 0.00 175.29 172.48 1jgd s HIS 116 N -2.55 0.98 0.01 9.60 3.76 1.00 -1.11 115.29 126.98 1jgd s HIS 116 Ca -0.05 -0.62 0.01 0.00 -0.15 0.00 0.00 55.06 54.25 1jgd s HIS 116 Cb -0.01 -0.55 -0.01 0.00 1.11 0.00 0.00 32.58 33.12 1jgd s HIS 116 CO -0.04 -0.02 -0.03 0.00 -0.85 0.00 0.00 174.74 173.80 1jgd s ALA 117 N -2.15 0.19 -0.10 -1.40 0.00 0.09 -0.20 121.76 118.19 1jgd s ALA 117 Ca 0.02 -0.30 0.04 0.00 0.00 0.00 0.00 51.96 51.72 1jgd s ALA 117 Cb -0.05 0.02 0.00 0.00 0.00 0.00 0.00 23.12 23.10 1jgd s ALA 117 CO -0.00 -0.02 -0.23 -0.47 0.00 0.00 0.00 175.76 175.04 1jgd s TYR 118 N -0.58 2.45 -1.33 0.00 5.04 -0.26 -0.89 117.35 121.77 1jgd s TYR 118 Ca -0.05 -1.00 -0.11 0.00 -2.44 0.00 0.00 57.07 53.47 1jgd s TYR 118 Cb -0.04 -1.65 0.08 0.00 0.35 0.00 0.00 41.96 40.70 1jgd s TYR 118 CO -0.00 -0.41 0.54 -0.25 -1.34 0.00 0.00 175.55 174.09 1jgd n ASP 119 N 3.56 -3.69 0.00 4.32 8.00 0.92 -2.00 116.55 127.67 1jgd n ASP 119 Ca -0.19 -0.47 0.00 0.00 0.71 0.00 0.00 54.79 54.84 1jgd n ASP 119 Cb 0.53 -3.04 0.00 0.00 -0.02 0.00 0.00 41.12 38.58 1jgd n ASP 119 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1jgd n GLY 120 N -1.21 0.75 3.50 0.44 0.00 -1.26 -4.99 105.19 102.42 1jgd n GLY 120 Ca -0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 1jgd n GLY 120 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jgd s LYS 121 N -0.49 2.36 0.21 1.61 1.02 -0.84 -5.08 119.74 118.52 1jgd s LYS 121 Ca 0.00 -0.80 -0.30 0.00 0.02 0.00 0.00 55.97 54.89 1jgd s LYS 121 Cb 0.00 -2.34 -0.16 0.00 -0.52 0.00 0.00 37.83 34.81 1jgd s LYS 121 CO 0.00 0.59 0.88 -0.25 -0.92 0.00 0.00 175.35 175.65 1jgd n ASP 122 N 1.85 0.34 0.01 2.83 8.00 -1.26 -1.10 116.55 127.22 1jgd n ASP 122 Ca -0.16 1.15 -0.01 0.00 0.71 0.00 0.00 54.79 56.48 1jgd n ASP 122 Cb 0.52 -1.13 -0.00 0.00 -0.02 0.00 0.00 41.12 40.49 1jgd n ASP 122 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1jgd n TYR 123 N 0.54 0.00 -3.86 1.24 9.36 0.72 -4.64 117.16 120.53 1jgd n TYR 123 Ca 0.14 0.00 -0.11 0.00 3.32 0.00 0.00 57.90 61.25 1jgd n TYR 123 Cb 0.26 -0.05 -0.10 0.00 -0.63 0.00 0.00 39.34 38.82 1jgd n TYR 123 CO 0.00 0.00 0.00 -1.50 0.22 0.00 0.00 176.86 175.58 1jgd s ILE 124 N -1.60 0.07 -0.04 2.97 2.07 -1.09 -0.51 121.20 123.07 1jgd s ILE 124 Ca -0.03 -0.55 -0.02 0.00 -1.41 0.00 0.00 60.65 58.63 1jgd s ILE 124 Cb 0.00 -0.39 0.02 0.00 0.13 0.00 0.00 42.46 42.22 1jgd s ILE 124 CO 0.04 -0.30 0.09 0.00 -1.91 0.00 0.00 174.94 172.85 1jgd s ALA 125 N -1.08 -0.18 0.15 1.50 0.00 -0.24 -0.00 121.76 121.91 1jgd s ALA 125 Ca -0.12 0.32 -0.31 0.00 0.00 0.00 0.00 51.96 51.85 1jgd s ALA 125 Cb -0.06 -0.20 -0.08 0.00 0.00 0.00 0.00 23.12 22.77 1jgd s ALA 125 CO 0.01 -0.07 1.34 -1.17 0.00 0.00 0.00 175.76 175.88 1jgd s LEU 126 N 0.37 4.39 0.80 0.00 2.96 0.11 -0.44 118.68 126.87 1jgd s LEU 126 Ca -0.03 2.35 -0.12 0.00 -0.22 0.00 0.00 54.13 56.12 1jgd s LEU 126 Cb -0.04 -3.60 0.07 0.00 0.50 0.00 0.00 46.19 43.13 1jgd s LEU 126 CO -0.01 -0.59 1.12 0.20 -1.32 0.00 0.00 176.35 175.75 1jgd s ASN 127 N 0.73 4.50 0.52 3.68 0.01 0.46 -4.53 114.94 120.32 1jgd s ASN 127 Ca 0.60 1.09 0.21 0.00 -0.71 0.00 0.00 52.86 54.05 1jgd s ASN 127 Cb -0.36 -1.76 1.33 0.00 0.41 0.00 0.00 41.25 40.86 1jgd s ASN 127 CO 0.34 -1.94 2.06 -0.08 -1.51 0.00 0.00 177.10 175.98 1jgd h GLU 128 N -1.07 0.01 0.00 -0.60 4.81 -1.88 0.12 114.58 115.98 1jgd h GLU 128 Ca -0.47 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.76 1jgd h GLU 128 Cb 1.29 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.67 1jgd h GLU 128 CO 0.62 0.01 0.00 -0.40 -0.73 0.00 0.00 179.01 178.51 1jgd n ASP 129 N -4.45 0.00 -2.31 1.04 5.68 -1.26 -4.76 116.55 110.49 1jgd n ASP 129 Ca 0.04 0.43 -0.20 0.00 -0.50 0.00 0.00 54.79 54.56 1jgd n ASP 129 Cb 0.37 -0.46 -0.02 0.00 -1.14 0.00 0.00 41.12 39.87 1jgd n ASP 129 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 1jgd n LEU 130 N -1.46 -1.78 0.00 -2.12 4.77 0.43 -4.76 117.00 112.07 1jgd n LEU 130 Ca 0.04 0.07 0.00 0.00 -0.03 0.00 0.00 56.01 56.09 1jgd n LEU 130 Cb 0.14 -2.82 0.00 0.00 -2.33 0.00 0.00 43.42 38.41 1jgd n LEU 130 CO 0.12 -0.30 0.00 -1.54 -1.33 0.00 0.00 177.39 174.33 1jgd n SER 131 N -1.90 0.00 -4.07 -1.43 3.41 -1.26 -4.52 113.62 103.85 1jgd n SER 131 Ca -0.23 -0.82 -0.09 0.00 -0.26 0.00 0.00 58.87 57.47 1jgd n SER 131 Cb 0.67 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 64.53 1jgd n SER 131 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1jgd s SER 132 N 0.00 0.24 0.20 4.04 1.04 -1.26 -4.95 113.70 113.01 1jgd s SER 132 Ca 0.00 -1.05 0.11 0.00 0.48 0.00 0.00 55.95 55.49 1jgd s SER 132 Cb 0.00 0.33 -0.04 0.00 0.10 0.00 0.00 66.02 66.40 1jgd s SER 132 CO 0.00 -0.76 -0.22 0.26 0.98 0.00 0.00 173.24 173.50 1jgd s TRP 133 N -4.00 2.19 -0.25 5.02 0.52 -1.26 -0.40 118.94 120.76 1jgd s TRP 133 Ca 0.19 -0.38 -0.01 0.00 0.02 0.00 0.00 56.10 55.91 1jgd s TRP 133 Cb 0.06 -1.07 0.03 0.00 -1.15 0.00 0.00 33.47 31.35 1jgd s TRP 133 CO -0.01 0.49 -0.06 0.99 0.02 0.00 0.00 176.95 178.38 1jgd s THR 134 N -1.87 2.81 -0.15 2.01 2.01 0.42 -4.87 115.64 116.01 1jgd s THR 134 Ca 0.21 -1.11 -0.13 0.00 0.31 0.00 0.00 61.69 60.96 1jgd s THR 134 Cb -0.07 -2.46 -0.05 0.00 0.01 0.00 0.00 72.50 69.93 1jgd s THR 134 CO 0.10 0.15 0.29 0.00 -0.69 0.00 0.00 174.62 174.47 1jgd s ALA 135 N 1.30 3.62 -0.47 7.40 0.00 -1.26 -1.08 121.76 131.27 1jgd s ALA 135 Ca -0.01 -0.45 0.24 0.00 0.00 0.00 0.00 51.96 51.73 1jgd s ALA 135 Cb -0.17 -2.36 0.33 0.00 0.00 0.00 0.00 23.12 20.92 1jgd s ALA 135 CO -0.04 0.15 1.43 0.00 0.00 0.00 0.00 175.76 177.30 1jgd h ALA 136 N 6.42 0.79 -2.98 0.00 0.00 -1.06 -3.45 119.26 118.98 1jgd h ALA 136 Ca -0.43 0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.39 1jgd h ALA 136 Cb 1.17 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.94 1jgd h ALA 136 CO 0.74 0.00 -0.02 -0.40 0.00 0.00 0.00 179.25 179.56 1jgd n ASP 137 N -2.66 -0.62 0.21 0.00 5.75 -1.26 -5.03 116.55 112.94 1jgd n ASP 137 Ca 0.03 -1.72 0.07 0.00 -0.01 0.00 0.00 54.79 53.16 1jgd n ASP 137 Cb 0.50 1.12 0.45 0.00 -1.03 0.00 0.00 41.12 42.15 1jgd n ASP 137 CO 0.00 0.00 0.00 0.71 -0.11 0.00 0.00 177.20 177.80 1jgd h THR 138 N 1.40 0.85 -0.02 2.12 1.35 -1.98 -0.61 112.91 116.02 1jgd h THR 138 Ca -0.11 -1.19 -0.05 0.00 -0.55 0.00 0.00 66.41 64.50 1jgd h THR 138 Cb 0.47 1.72 0.00 0.00 -1.73 0.00 0.00 68.15 68.62 1jgd h THR 138 CO 0.15 0.29 -0.18 0.00 -0.25 0.00 0.00 175.52 175.54 1jgd h ALA 139 N 1.70 0.05 -0.17 6.62 0.00 -1.97 -3.02 119.26 122.46 1jgd h ALA 139 Ca -0.00 -0.42 -0.00 0.00 0.00 0.00 0.00 54.91 54.49 1jgd h ALA 139 Cb 0.70 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 1jgd h ALA 139 CO 0.04 0.02 0.10 0.00 0.00 0.00 0.00 179.25 179.41 1jgd h ALA 140 N 0.32 1.85 -0.11 0.00 0.00 -1.77 0.00 119.26 119.56 1jgd h ALA 140 Ca -0.02 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 1jgd h ALA 140 Cb 0.88 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 1jgd h ALA 140 CO 0.04 0.13 -0.11 1.96 0.00 0.00 0.00 179.25 181.27 1jgd h GLN 141 N 0.23 0.16 0.01 0.00 4.20 -1.08 0.18 115.11 118.82 1jgd h GLN 141 Ca 0.06 -0.03 -0.00 0.00 0.06 0.00 0.00 58.65 58.74 1jgd h GLN 141 Cb -0.00 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 27.75 1jgd h GLN 141 CO -0.01 0.28 -0.01 0.82 -0.67 0.00 0.00 178.83 179.24 1jgd h ILE 142 N 0.16 1.24 -0.85 2.54 2.04 -0.87 -2.62 117.51 119.14 1jgd h ILE 142 Ca 0.03 -0.77 0.06 0.00 1.00 0.00 0.00 64.86 65.18 1jgd h ILE 142 Cb 0.30 1.76 -0.06 0.00 -0.74 0.00 0.00 36.82 38.08 1jgd h ILE 142 CO 0.02 0.20 0.53 0.74 0.00 0.00 0.00 178.15 179.64 1jgd h THR 143 N -0.35 1.06 -0.53 -0.27 2.02 -1.04 -2.51 112.91 111.29 1jgd h THR 143 Ca -0.00 -0.34 0.06 0.00 0.77 0.00 0.00 66.41 66.90 1jgd h THR 143 Cb 0.34 -0.01 -0.05 0.00 -1.74 0.00 0.00 68.15 66.69 1jgd h THR 143 CO 0.00 0.18 0.23 -0.61 0.37 0.00 0.00 175.52 175.69 1jgd h GLN 144 N 0.98 0.43 -0.53 6.66 4.15 -0.41 0.90 115.11 127.30 1jgd h GLN 144 Ca 0.36 -0.03 -0.07 0.00 0.77 0.00 0.00 58.65 59.69 1jgd h GLN 144 Cb 0.14 -0.10 -0.02 0.00 0.21 0.00 0.00 27.48 27.71 1jgd h GLN 144 CO -0.16 0.29 0.05 0.00 -1.93 0.00 0.00 178.83 177.07 1jgd h ARG 145 N 0.44 0.87 -0.48 1.69 2.47 -1.13 0.16 114.38 118.41 1jgd h ARG 145 Ca 0.25 -0.22 0.01 0.00 -1.26 0.00 0.00 59.98 58.75 1jgd h ARG 145 Cb 0.22 -0.11 -0.02 0.00 -1.65 0.00 0.00 29.97 28.41 1jgd h ARG 145 CO -0.21 0.84 0.32 0.87 0.56 0.00 0.00 179.97 182.34 1jgd h LYS 146 N 0.82 0.63 -0.01 0.04 1.57 -0.84 -0.11 116.57 118.66 1jgd h LYS 146 Ca 0.16 -0.04 -0.11 0.00 -1.87 0.00 0.00 60.65 58.79 1jgd h LYS 146 Cb 0.42 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.57 1jgd h LYS 146 CO 0.01 0.41 -0.53 -1.49 -0.57 0.00 0.00 179.45 177.28 1jgd h TRP 147 N 0.64 0.04 -0.34 -1.35 4.06 -0.33 -1.28 115.95 117.40 1jgd h TRP 147 Ca 0.18 -0.01 -0.04 0.00 2.06 0.00 0.00 58.89 61.07 1jgd h TRP 147 Cb -0.07 -0.01 -0.01 0.00 -1.00 0.00 0.00 29.16 28.07 1jgd h TRP 147 CO -0.04 0.56 0.06 0.93 -3.56 0.00 0.00 178.44 176.39 1jgd h GLU 148 N 0.03 0.56 -0.37 0.49 5.08 -0.37 -1.28 114.58 118.71 1jgd h GLU 148 Ca -0.00 -0.15 -0.04 0.00 -1.00 0.00 0.00 59.36 58.17 1jgd h GLU 148 Cb 0.95 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 30.12 1jgd h GLU 148 CO 0.07 0.63 0.05 0.00 -1.00 0.00 0.00 179.01 178.76 1jgd h ALA 149 N 0.90 1.40 -0.10 3.43 0.00 -0.64 -2.01 119.26 122.24 1jgd h ALA 149 Ca 0.10 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1jgd h ALA 149 Cb 0.34 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1jgd h ALA 149 CO 0.01 0.43 0.00 0.00 0.00 0.00 0.00 179.25 179.68 1jgd n ALA 150 N -2.48 2.55 -3.40 0.00 0.00 -0.52 -4.93 120.51 111.74 1jgd n ALA 150 Ca 0.02 -0.45 -0.24 0.00 0.00 0.00 0.00 53.44 52.78 1jgd n ALA 150 Cb 0.22 -1.15 0.06 0.00 0.00 0.00 0.00 19.45 18.58 1jgd n ALA 150 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1jgd n ARG 151 N 0.11 -6.69 -0.24 0.00 1.74 -0.75 -4.87 116.66 105.96 1jgd n ARG 151 Ca 0.17 0.85 -0.07 0.00 -0.77 0.00 0.00 57.85 58.02 1jgd n ARG 151 Cb 0.30 -5.82 0.04 0.00 -1.02 0.00 0.00 32.46 25.96 1jgd n ARG 151 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 1jgd h VAL 152 N -2.17 1.25 -0.66 1.55 2.07 -1.52 -2.93 116.25 113.83 1jgd h VAL 152 Ca -0.56 -0.87 -0.03 0.00 0.82 0.00 0.00 66.70 66.06 1jgd h VAL 152 Cb 1.37 0.55 -0.03 0.00 -1.52 0.00 0.00 31.29 31.66 1jgd h VAL 152 CO 0.57 0.34 0.28 0.00 0.02 0.00 0.00 177.57 178.77 1jgd h ALA 153 N 1.09 1.24 -0.80 1.67 0.00 -1.90 0.16 119.26 120.72 1jgd h ALA 153 Ca 0.22 -0.16 0.01 0.00 0.00 0.00 0.00 54.91 54.97 1jgd h ALA 153 Cb 0.30 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 17.78 1jgd h ALA 153 CO -0.01 0.56 0.53 0.93 0.00 0.00 0.00 179.25 181.27 1jgd h GLU 154 N 0.95 1.05 -0.35 0.00 5.08 -1.76 0.29 114.58 119.84 1jgd h GLU 154 Ca 0.23 -0.06 -0.08 0.00 -1.00 0.00 0.00 59.36 58.44 1jgd h GLU 154 Cb 0.17 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 29.17 1jgd h GLU 154 CO -0.02 0.70 -0.10 1.96 -1.00 0.00 0.00 179.01 180.54 1jgd h GLN 155 N 1.08 0.69 -0.43 2.33 4.20 -1.12 -1.15 115.11 120.72 1jgd h GLN 155 Ca 0.29 -0.27 -0.01 0.00 0.06 0.00 0.00 58.65 58.72 1jgd h GLN 155 Cb -0.12 -0.03 -0.02 0.00 0.30 0.00 0.00 27.48 27.60 1jgd h GLN 155 CO -0.06 0.86 0.24 -0.07 -0.67 0.00 0.00 178.83 179.13 1jgd h LEU 156 N 0.48 0.53 -0.68 1.46 3.38 -0.64 -2.26 115.31 117.58 1jgd h LEU 156 Ca 0.09 -0.08 0.07 0.00 0.09 0.00 0.00 57.88 58.05 1jgd h LEU 156 Cb 0.62 -0.13 -0.06 0.00 0.09 0.00 0.00 40.66 41.18 1jgd h LEU 156 CO 0.04 0.45 0.36 -0.09 0.09 0.00 0.00 178.44 179.30 1jgd h ARG 157 N 0.56 0.64 -0.59 1.13 2.43 -0.30 0.28 114.38 118.53 1jgd h ARG 157 Ca 0.15 -0.04 0.07 0.00 -0.81 0.00 0.00 59.98 59.35 1jgd h ARG 157 Cb 0.04 -0.14 -0.06 0.00 -0.42 0.00 0.00 29.97 29.38 1jgd h ARG 157 CO -0.03 0.42 0.28 0.00 -1.51 0.00 0.00 179.97 179.13 1jgd h ALA 158 N 1.37 0.76 0.06 2.80 0.00 -0.89 0.20 119.26 123.56 1jgd h ALA 158 Ca 0.31 0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.26 1jgd h ALA 158 Cb 0.24 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1jgd h ALA 158 CO -0.21 -0.09 -0.03 -0.92 0.00 0.00 0.00 179.25 178.00 1jgd h TYR 159 N 0.51 -0.07 -0.88 0.00 3.20 -0.75 -2.08 116.97 116.90 1jgd h TYR 159 Ca 0.27 -0.00 -0.01 0.00 3.14 0.00 0.00 58.73 62.14 1jgd h TYR 159 Cb 0.24 0.02 -0.04 0.00 1.54 0.00 0.00 36.73 38.49 1jgd h TYR 159 CO -0.12 0.29 0.52 -0.07 -1.64 0.00 0.00 178.16 177.15 1jgd h LEU 160 N -0.44 1.06 -0.12 2.82 3.38 -0.07 0.81 115.31 122.75 1jgd h LEU 160 Ca -0.01 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.90 1jgd h LEU 160 Cb 0.39 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.88 1jgd h LEU 160 CO 0.01 0.82 0.00 -0.33 0.09 0.00 0.00 178.44 179.03 1jgd h GLU 161 N 1.22 0.00 0.00 1.13 5.08 -0.66 -3.34 114.58 118.01 1jgd h GLU 161 Ca 0.32 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.68 1jgd h GLU 161 Cb -0.04 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.21 1jgd h GLU 161 CO -0.06 0.00 0.00 0.41 -1.00 0.00 0.00 179.01 178.36 1jgd n GLY 162 N 1.06 0.67 0.31 -3.84 0.00 -0.78 -4.76 105.19 97.85 1jgd n GLY 162 Ca 0.04 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.16 1jgd n GLY 162 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1jgd h GLU 163 N 0.00 0.51 0.01 1.61 4.81 -1.65 -1.45 114.58 118.42 1jgd h GLU 163 Ca 0.00 -0.03 0.02 0.00 -0.13 0.00 0.00 59.36 59.22 1jgd h GLU 163 Cb 0.00 -0.12 -0.03 0.00 0.63 0.00 0.00 28.75 29.24 1jgd h GLU 163 CO 0.00 0.34 -0.13 0.00 -0.73 0.00 0.00 179.01 178.48 1jgd h VAL 165 N -0.23 1.41 -0.18 0.00 -1.51 -1.61 -1.06 116.25 113.06 1jgd h VAL 165 Ca 0.04 -2.18 0.00 0.00 -1.23 0.00 0.00 66.70 63.34 1jgd h VAL 165 Cb 0.28 2.14 -0.01 0.00 -2.13 0.00 0.00 31.29 31.58 1jgd h VAL 165 CO -0.12 0.64 0.12 -0.08 -1.23 0.00 0.00 177.57 176.90 1jgd h GLU 166 N 0.19 0.25 -0.13 5.19 4.81 -0.83 -0.34 114.58 123.71 1jgd h GLU 166 Ca -0.02 -0.02 -0.18 0.00 -0.13 0.00 0.00 59.36 59.01 1jgd h GLU 166 Cb 1.25 -0.05 -0.00 0.00 0.63 0.00 0.00 28.75 30.58 1jgd h GLU 166 CO 0.11 0.19 -0.68 -1.49 -0.73 0.00 0.00 179.01 176.42 1jgd h TRP 167 N 0.23 0.71 -0.52 0.92 4.06 -0.58 -1.62 115.95 119.15 1jgd h TRP 167 Ca 0.07 -0.29 0.05 0.00 2.06 0.00 0.00 58.89 60.77 1jgd h TRP 167 Cb 0.00 -0.12 -0.05 0.00 -1.00 0.00 0.00 29.16 28.00 1jgd h TRP 167 CO -0.06 1.06 0.26 1.25 -3.56 0.00 0.00 178.44 177.39 1jgd h LEU 168 N 0.39 0.37 -1.03 -4.49 5.85 -1.05 0.20 115.31 115.55 1jgd h LEU 168 Ca -0.02 0.03 -0.03 0.00 0.84 0.00 0.00 57.88 58.70 1jgd h LEU 168 Cb 1.25 -0.04 -0.03 0.00 0.37 0.00 0.00 40.66 42.21 1jgd h LEU 168 CO 0.13 0.26 0.34 0.03 -0.34 0.00 0.00 178.44 178.86 1jgd h ARG 169 N 0.51 1.03 -0.17 1.25 3.08 -0.83 0.56 114.38 119.81 1jgd h ARG 169 Ca 0.23 -0.14 -0.00 0.00 0.07 0.00 0.00 59.98 60.14 1jgd h ARG 169 Cb 0.15 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 30.00 1jgd h ARG 169 CO -0.16 0.80 0.10 -0.09 -1.07 0.00 0.00 179.97 179.54 1jgd h ARG 170 N 1.03 0.24 -0.54 0.04 2.43 -0.34 -0.83 114.38 116.41 1jgd h ARG 170 Ca 0.25 -0.03 -0.04 0.00 -0.81 0.00 0.00 59.98 59.36 1jgd h ARG 170 Cb 0.11 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 29.59 1jgd h ARG 170 CO -0.03 0.22 0.19 1.88 -1.51 0.00 0.00 179.97 180.72 1jgd h TYR 171 N 0.18 0.84 -0.80 2.20 0.05 0.02 0.12 116.97 119.58 1jgd h TYR 171 Ca 0.06 -0.07 0.07 0.00 0.05 0.00 0.00 58.73 58.84 1jgd h TYR 171 Cb 0.05 -0.25 -0.06 0.00 1.01 0.00 0.00 36.73 37.48 1jgd h TYR 171 CO -0.04 0.70 0.47 -0.07 -1.05 0.00 0.00 178.16 178.17 1jgd h LEU 172 N 0.74 0.72 -0.07 3.88 3.38 -0.73 0.42 115.31 123.64 1jgd h LEU 172 Ca 0.18 0.03 -0.03 0.00 0.09 0.00 0.00 57.88 58.15 1jgd h LEU 172 Cb 0.24 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 40.87 1jgd h LEU 172 CO -0.01 0.45 -0.07 -0.08 0.09 0.00 0.00 178.44 178.81 1jgd h GLU 173 N 0.84 0.17 -0.10 1.13 4.57 -0.67 -1.29 114.58 119.24 1jgd h GLU 173 Ca 0.36 -0.09 -0.06 0.00 -1.18 0.00 0.00 59.36 58.39 1jgd h GLU 173 Cb 0.23 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.81 1jgd h GLU 173 CO -0.20 0.62 -0.22 -0.91 -1.18 0.00 0.00 179.01 177.12 1jgd h ASN 174 N -0.27 0.16 -0.60 1.04 -0.26 -0.30 -2.34 115.58 113.00 1jgd h ASN 174 Ca 0.01 -0.04 -0.25 0.00 -0.56 0.00 0.00 56.30 55.46 1jgd h ASN 174 Cb 0.59 -0.04 -0.15 0.00 -1.06 0.00 0.00 38.32 37.66 1jgd h ASN 174 CO 0.02 0.39 0.21 0.61 -1.06 0.00 0.00 177.43 177.60 1jgd n GLY 175 N -0.71 4.34 0.25 2.83 0.00 0.14 -4.69 105.19 107.36 1jgd n GLY 175 Ca -0.01 -1.11 0.09 0.00 0.00 0.00 0.00 46.02 45.00 1jgd n GLY 175 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1jgd h LYS 176 N 1.57 0.00 0.00 1.61 2.10 -0.65 0.35 116.57 121.55 1jgd h LYS 176 Ca 0.31 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.96 1jgd h LYS 176 Cb 2.12 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 33.45 1jgd h LYS 176 CO 0.64 0.09 0.00 1.49 -2.00 0.00 0.00 179.45 179.67 1jgd h GLU 177 N 0.00 0.00 0.00 0.07 4.81 -1.85 -1.91 114.58 115.71 1jgd h GLU 177 Ca -0.00 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1jgd h GLU 177 Cb 0.19 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.57 1jgd h GLU 177 CO 0.01 0.00 -1.01 0.25 -0.73 0.00 0.00 179.01 177.53 1jgd n THR 178 N -2.77 0.01 0.17 0.32 -2.24 -0.38 -4.48 114.28 104.91 1jgd n THR 178 Ca -0.00 -0.00 0.01 0.00 -2.27 0.00 0.00 64.05 61.79 1jgd n THR 178 Cb 0.20 -1.08 0.30 0.00 -2.10 0.00 0.00 70.33 67.66 1jgd n THR 178 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 1jgd h LEU 179 N -0.00 0.02 -3.29 3.22 3.38 -0.43 -2.91 115.31 115.29 1jgd h LEU 179 Ca -0.01 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 1jgd h LEU 179 Cb 1.01 -0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.75 1jgd h LEU 179 CO -0.00 0.45 0.00 0.00 0.09 0.00 0.00 178.44 178.98 1jgd n GLN 180 N -4.02 3.06 -3.89 1.13 6.02 -0.72 -4.75 117.38 114.22 1jgd n GLN 180 Ca -0.02 -2.88 -0.29 0.00 -0.01 0.00 0.00 57.00 53.80 1jgd n GLN 180 Cb 0.46 -1.88 -0.13 0.00 1.02 0.00 0.00 30.24 29.71 1jgd n GLN 180 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 177.06 176.55 1jgd s ARG 181 N -2.84 2.09 0.28 -1.09 3.52 -1.10 -4.98 118.95 114.84 1jgd s ARG 181 Ca 0.43 -2.87 -0.30 0.00 -0.13 0.00 0.00 55.73 52.86 1jgd s ARG 181 Cb 0.35 -3.22 -0.12 0.00 -1.56 0.00 0.00 34.95 30.40 1jgd s ARG 181 CO 0.09 -1.20 1.51 0.00 -0.81 0.00 0.00 175.30 174.90 1jgd n ALA 182 N 2.64 2.02 -2.62 6.12 0.00 -1.26 -4.85 120.51 122.56 1jgd n ALA 182 Ca 0.12 0.38 -0.40 0.00 0.00 0.00 0.00 53.44 53.54 1jgd n ALA 182 Cb 0.34 -2.39 -0.11 0.00 0.00 0.00 0.00 19.45 17.29 1jgd n ALA 182 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1jgd s ASP 183 N 0.35 5.93 0.74 0.00 1.01 0.15 -4.71 116.67 120.15 1jgd s ASP 183 Ca 0.64 -0.56 -0.13 0.00 0.71 0.00 0.00 52.55 53.21 1jgd s ASP 183 Cb -0.55 -2.10 0.05 0.00 1.01 0.00 0.00 42.92 41.33 1jgd s ASP 183 CO 0.50 -0.27 1.14 -2.16 0.21 0.00 0.00 175.17 174.60 1jgd s PRO 184 N 1.68 2.21 0.47 8.23 0.04 -1.26 -1.08 135.00 145.30 1jgd s PRO 184 Ca 0.05 1.50 -0.22 0.00 0.04 0.00 0.00 61.00 62.37 1jgd s PRO 184 Cb -0.18 -1.87 -0.07 0.00 0.04 0.00 0.00 34.50 32.42 1jgd s PRO 184 CO 0.09 -1.72 1.14 -1.25 0.04 0.00 0.00 177.00 175.30 1jgd s PRO 185 N -4.26 3.71 -0.12 0.56 0.04 -1.26 -4.40 135.00 129.27 1jgd s PRO 185 Ca 0.68 1.70 -0.23 0.00 0.04 0.00 0.00 61.00 63.20 1jgd s PRO 185 Cb -0.23 -2.32 -0.03 0.00 0.04 0.00 0.00 34.50 31.96 1jgd s PRO 185 CO 0.48 -0.57 0.68 0.15 0.04 0.00 0.00 177.00 177.78 1jgd s LYS 186 N -2.83 4.35 0.09 4.56 1.02 0.12 -4.83 119.74 122.22 1jgd s LYS 186 Ca 0.65 0.79 0.08 0.00 0.02 0.00 0.00 55.97 57.51 1jgd s LYS 186 Cb -0.26 -3.50 -0.03 0.00 -0.52 0.00 0.00 37.83 33.51 1jgd s LYS 186 CO 0.32 -0.07 -0.22 0.95 -0.92 0.00 0.00 175.35 175.41 1jgd s THR 187 N 1.28 1.76 0.04 2.17 -4.23 -1.26 -0.71 115.64 114.70 1jgd s THR 187 Ca 0.34 -1.47 -0.27 0.00 -1.18 0.00 0.00 61.69 59.11 1jgd s THR 187 Cb -0.17 -1.58 0.08 0.00 1.34 0.00 0.00 72.50 72.18 1jgd s THR 187 CO 0.14 0.03 0.73 -1.38 -0.54 0.00 0.00 174.62 173.61 1jgd s HIS 188 N -1.05 -0.50 -0.11 3.99 -3.43 -0.90 -4.98 115.29 108.31 1jgd s HIS 188 Ca 0.07 0.48 -0.01 0.00 -0.80 0.00 0.00 55.06 54.81 1jgd s HIS 188 Cb -0.10 0.51 -0.03 0.00 -1.43 0.00 0.00 32.58 31.54 1jgd s HIS 188 CO 0.04 -0.67 -0.07 0.08 -2.00 0.00 0.00 174.74 172.11 1jgd s VAL 189 N -2.83 3.63 0.31 -5.38 1.01 -1.26 -0.21 120.40 115.67 1jgd s VAL 189 Ca -0.01 -0.47 0.09 0.00 0.00 0.00 0.00 61.98 61.59 1jgd s VAL 189 Cb -0.01 -2.53 -0.04 0.00 0.00 0.00 0.00 36.38 33.79 1jgd s VAL 189 CO -0.06 0.54 0.05 0.42 0.00 0.00 0.00 175.10 176.06 1jgd s THR 190 N -0.14 3.14 -0.05 3.92 -4.23 -0.05 -4.67 115.64 113.56 1jgd s THR 190 Ca 0.02 -1.84 0.01 0.00 -1.18 0.00 0.00 61.69 58.69 1jgd s THR 190 Cb -0.13 -2.89 0.02 0.00 1.34 0.00 0.00 72.50 70.85 1jgd s THR 190 CO 0.03 -0.27 -0.05 -2.28 -0.54 0.00 0.00 174.62 171.51 1jgd s HIS 191 N -2.40 0.83 -0.30 3.99 2.46 -1.26 -1.03 115.29 117.58 1jgd s HIS 191 Ca 0.34 -0.25 -0.02 0.00 0.47 0.00 0.00 55.06 55.60 1jgd s HIS 191 Cb -0.04 -0.74 0.10 0.00 -0.13 0.00 0.00 32.58 31.77 1jgd s HIS 191 CO 0.21 -0.23 0.11 -1.01 -2.47 0.00 0.00 174.74 171.35 1jgd s HIS 192 N 1.06 0.99 0.24 3.88 3.76 0.23 -4.95 115.29 120.49 1jgd s HIS 192 Ca -0.09 -1.27 -0.31 0.00 -0.15 0.00 0.00 55.06 53.24 1jgd s HIS 192 Cb -0.14 -1.28 -0.13 0.00 1.11 0.00 0.00 32.58 32.13 1jgd s HIS 192 CO -0.01 -0.84 1.45 -2.30 -0.85 0.00 0.00 174.74 172.19 1jgd n PRO 193 N 5.06 2.14 0.00 8.40 -0.02 -1.26 -0.26 135.00 149.05 1jgd n PRO 193 Ca -0.04 0.76 0.07 0.00 -2.02 0.00 0.00 63.50 62.27 1jgd n PRO 193 Cb 0.42 -2.44 -0.06 0.00 -0.02 0.00 0.00 33.50 31.40 1jgd n PRO 193 CO 0.00 0.00 0.00 0.44 1.98 0.00 0.00 175.50 177.92 1jgd n ILE 194 N 2.05 0.00 -3.47 4.25 -5.35 -0.24 -4.84 119.36 111.75 1jgd n ILE 194 Ca 0.12 -0.22 -0.01 0.00 -0.27 0.00 0.00 62.75 62.37 1jgd n ILE 194 Cb 0.32 1.05 0.00 0.00 -1.74 0.00 0.00 39.64 39.28 1jgd n ILE 194 CO 0.00 0.00 0.00 -1.54 -1.76 0.00 0.00 176.55 173.25 1jgd n SER 195 N -0.99 -0.39 0.00 7.28 3.41 -1.17 -4.97 113.62 116.80 1jgd n SER 195 Ca 0.04 -1.22 0.15 0.00 -0.26 0.00 0.00 58.87 57.58 1jgd n SER 195 Cb 0.24 0.64 0.80 0.00 -0.26 0.00 0.00 64.21 65.63 1jgd n SER 195 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1jgd n ASP 196 N -0.79 0.00 -0.00 4.04 8.00 -1.26 -3.77 116.55 122.77 1jgd n ASP 196 Ca -0.01 -0.39 0.02 0.00 0.71 0.00 0.00 54.79 55.13 1jgd n ASP 196 Cb 0.13 -0.20 -0.03 0.00 -0.02 0.00 0.00 41.12 41.00 1jgd n ASP 196 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 1jgd n HIS 197 N -1.20 0.00 -3.92 1.24 8.25 -1.26 -4.83 115.22 113.49 1jgd n HIS 197 Ca 0.17 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.54 1jgd n HIS 197 Cb 0.20 -0.01 -0.09 0.00 1.12 0.00 0.00 29.99 31.20 1jgd n HIS 197 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 1jgd s GLU 198 N -1.57 0.65 -0.01 -0.41 2.02 -1.25 0.80 118.70 118.94 1jgd s GLU 198 Ca 0.01 -0.83 -0.13 0.00 0.02 0.00 0.00 54.97 54.04 1jgd s GLU 198 Cb 0.04 0.26 0.02 0.00 0.10 0.00 0.00 34.13 34.54 1jgd s GLU 198 CO 0.20 -0.17 0.27 0.00 0.02 0.00 0.00 175.26 175.58 1jgd s ALA 199 N -2.99 -0.68 -0.05 5.21 0.00 -0.30 -1.08 121.76 121.88 1jgd s ALA 199 Ca -0.02 0.22 -0.22 0.00 0.00 0.00 0.00 51.96 51.94 1jgd s ALA 199 Cb 0.01 0.08 -0.04 0.00 0.00 0.00 0.00 23.12 23.17 1jgd s ALA 199 CO -0.06 -0.25 0.63 0.99 0.00 0.00 0.00 175.76 177.07 1jgd s THR 200 N -1.34 5.01 -0.19 0.00 2.01 0.64 -0.24 115.64 121.52 1jgd s THR 200 Ca -0.14 1.31 -0.07 0.00 0.31 0.00 0.00 61.69 63.10 1jgd s THR 200 Cb -0.06 -3.97 -0.04 0.00 0.01 0.00 0.00 72.50 68.44 1jgd s THR 200 CO 0.04 0.32 0.05 -0.76 -0.69 0.00 0.00 174.62 173.58 1jgd s LEU 201 N 0.41 3.63 -0.17 4.42 1.43 0.67 -0.60 118.68 128.46 1jgd s LEU 201 Ca 0.34 -0.03 0.01 0.00 -1.03 0.00 0.00 54.13 53.42 1jgd s LEU 201 Cb -0.18 -1.92 0.02 0.00 0.03 0.00 0.00 46.19 44.14 1jgd s LEU 201 CO 0.17 0.12 -0.17 -0.60 0.23 0.00 0.00 176.35 176.10 1jgd s ARG 202 N 0.68 2.62 -0.27 1.70 3.52 -0.20 -1.33 118.95 125.68 1jgd s ARG 202 Ca 0.02 -0.74 -0.13 0.00 -0.13 0.00 0.00 55.73 54.75 1jgd s ARG 202 Cb -0.13 -2.38 -0.04 0.00 -1.56 0.00 0.00 34.95 30.83 1jgd s ARG 202 CO 0.02 -0.25 0.30 0.00 -0.81 0.00 0.00 175.30 174.56 1jgd s TRP 204 N 1.86 3.25 -0.13 0.00 0.52 0.70 -1.70 118.94 123.44 1jgd s TRP 204 Ca 0.12 0.25 -0.00 0.00 0.02 0.00 0.00 56.10 56.49 1jgd s TRP 204 Cb -0.16 -1.80 0.03 0.00 -1.15 0.00 0.00 33.47 30.39 1jgd s TRP 204 CO 0.10 0.53 -0.08 0.00 0.02 0.00 0.00 176.95 177.51 1jgd s ALA 205 N -0.95 1.47 0.12 0.98 0.00 -0.16 -2.12 121.76 121.10 1jgd s ALA 205 Ca 0.15 -0.69 0.06 0.00 0.00 0.00 0.00 51.96 51.47 1jgd s ALA 205 Cb -0.12 -1.00 -0.04 0.00 0.00 0.00 0.00 23.12 21.97 1jgd s ALA 205 CO 0.04 -0.51 -0.13 -0.51 0.00 0.00 0.00 175.76 174.65 1jgd s LEU 206 N 1.65 2.42 -1.38 0.00 1.43 0.12 -1.01 118.68 121.90 1jgd s LEU 206 Ca 0.04 -0.83 0.00 0.00 -1.03 0.00 0.00 54.13 52.31 1jgd s LEU 206 Cb -0.13 -0.50 0.00 0.00 0.03 0.00 0.00 46.19 45.58 1jgd s LEU 206 CO -0.09 -0.18 0.00 0.61 0.23 0.00 0.00 176.35 176.93 1jgd n GLY 207 N 0.45 -0.19 3.90 -3.19 0.00 -0.78 0.12 105.19 105.50 1jgd n GLY 207 Ca -0.15 -0.22 -0.28 0.00 0.00 0.00 0.00 46.02 45.37 1jgd n GLY 207 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1jgd s PHE 208 N -2.79 3.42 -0.16 1.61 -0.71 -0.95 -4.67 117.98 113.72 1jgd s PHE 208 Ca 0.00 0.14 -0.12 0.00 -1.04 0.00 0.00 56.93 55.91 1jgd s PHE 208 Cb 0.00 -1.67 0.05 0.00 -1.21 0.00 0.00 43.02 40.19 1jgd s PHE 208 CO 0.00 0.54 0.41 -0.47 -1.34 0.00 0.00 175.22 174.36 1jgd s TYR 209 N -1.63 -0.53 0.68 3.49 5.04 -0.24 -0.13 117.35 124.03 1jgd s TYR 209 Ca 0.34 1.20 -0.12 0.00 -2.44 0.00 0.00 57.07 56.06 1jgd s TYR 209 Cb -0.12 0.21 0.16 0.00 0.35 0.00 0.00 41.96 42.57 1jgd s TYR 209 CO 0.27 -0.28 0.77 -0.35 -1.34 0.00 0.00 175.55 174.61 1jgd n PRO 210 N 3.59 -1.50 0.14 4.97 -0.04 -1.26 0.32 135.00 141.22 1jgd n PRO 210 Ca -0.18 -1.20 -0.01 0.00 -0.04 0.00 0.00 63.50 62.07 1jgd n PRO 210 Cb 0.56 -0.93 0.21 0.00 -0.04 0.00 0.00 33.50 33.30 1jgd n PRO 210 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1jgd h ALA 211 N -2.13 1.06 -2.39 0.55 0.00 -1.95 -3.45 119.26 110.95 1jgd h ALA 211 Ca -0.26 -0.52 -0.57 0.00 0.00 0.00 0.00 54.91 53.56 1jgd h ALA 211 Cb 0.76 -0.09 0.07 0.00 0.00 0.00 0.00 17.79 18.53 1jgd h ALA 211 CO 0.18 0.71 0.80 -1.91 0.00 0.00 0.00 179.25 179.03 1jgd n GLU 212 N -3.87 2.27 -3.54 0.00 4.07 -1.26 -4.96 120.64 113.36 1jgd n GLU 212 Ca -0.01 0.82 -0.12 0.00 -0.06 0.00 0.00 57.16 57.79 1jgd n GLU 212 Cb 0.57 -2.58 -0.04 0.00 -0.06 0.00 0.00 31.44 29.33 1jgd n GLU 212 CO 0.00 0.00 0.00 -1.50 -0.06 0.00 0.00 177.13 175.57 1jgd s ILE 213 N 0.68 0.00 -0.06 6.31 2.07 -1.26 -4.64 121.20 124.29 1jgd s ILE 213 Ca 0.75 0.00 0.04 0.00 -1.41 0.00 0.00 60.65 60.02 1jgd s ILE 213 Cb -0.63 -1.00 0.00 0.00 0.13 0.00 0.00 42.46 40.96 1jgd s ILE 213 CO 0.40 0.00 -0.17 -0.89 -1.91 0.00 0.00 174.94 172.37 1jgd s THR 214 N -1.69 1.51 -0.08 4.00 2.01 -0.25 -4.98 115.64 116.15 1jgd s THR 214 Ca -0.02 -0.72 0.02 0.00 0.31 0.00 0.00 61.69 61.28 1jgd s THR 214 Cb -0.00 -1.32 0.01 0.00 0.01 0.00 0.00 72.50 71.20 1jgd s THR 214 CO 0.00 0.44 -0.13 -0.76 -0.69 0.00 0.00 174.62 173.48 1jgd s LEU 215 N 0.31 1.64 0.02 4.42 1.43 -1.26 -0.85 118.68 124.40 1jgd s LEU 215 Ca -0.11 -0.34 -0.01 0.00 -1.03 0.00 0.00 54.13 52.64 1jgd s LEU 215 Cb -0.15 -0.91 -0.02 0.00 0.03 0.00 0.00 46.19 45.14 1jgd s LEU 215 CO 0.04 0.02 -0.02 0.42 0.23 0.00 0.00 176.35 177.05 1jgd s THR 216 N 0.82 0.12 -0.09 5.49 -4.23 -0.41 -4.95 115.64 112.40 1jgd s THR 216 Ca -0.11 -1.03 -0.01 0.00 -1.18 0.00 0.00 61.69 59.36 1jgd s THR 216 Cb -0.15 -0.46 -0.03 0.00 1.34 0.00 0.00 72.50 73.19 1jgd s THR 216 CO 0.02 -0.57 -0.03 0.26 -0.54 0.00 0.00 174.62 173.76 1jgd s TRP 217 N -1.83 3.04 0.14 3.99 0.52 -1.26 0.03 118.94 123.57 1jgd s TRP 217 Ca -0.12 0.04 0.10 0.00 0.02 0.00 0.00 56.10 56.14 1jgd s TRP 217 Cb -0.07 -1.79 -0.04 0.00 -1.15 0.00 0.00 33.47 30.42 1jgd s TRP 217 CO -0.02 0.33 -0.25 -0.65 0.02 0.00 0.00 176.95 176.38 1jgd s GLN 218 N -0.64 1.35 -0.15 4.98 -0.21 0.12 -0.68 119.66 124.43 1jgd s GLN 218 Ca 0.10 -1.34 0.01 0.00 0.02 0.00 0.00 55.36 54.15 1jgd s GLN 218 Cb -0.12 -1.75 0.02 0.00 1.00 0.00 0.00 33.01 32.16 1jgd s GLN 218 CO 0.02 0.40 -0.18 0.50 -2.12 0.00 0.00 175.29 173.92 1jgd s ARG 219 N -2.16 2.64 -1.61 2.91 3.52 0.78 -0.65 118.95 124.38 1jgd s ARG 219 Ca 0.13 -0.70 -0.16 0.00 -0.13 0.00 0.00 55.73 54.88 1jgd s ARG 219 Cb -0.09 -2.30 0.12 0.00 -1.56 0.00 0.00 34.95 31.12 1jgd s ARG 219 CO 0.06 -0.18 0.89 -0.25 -0.81 0.00 0.00 175.30 175.02 1jgd n ASP 220 N 4.55 -4.06 -0.04 -2.12 8.00 0.62 -1.20 116.55 122.31 1jgd n ASP 220 Ca -0.19 -0.89 -0.00 0.00 0.71 0.00 0.00 54.79 54.42 1jgd n ASP 220 Cb 0.50 -3.36 -0.00 0.00 -0.02 0.00 0.00 41.12 38.24 1jgd n ASP 220 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1jgd n GLY 221 N -1.56 0.44 3.32 0.44 0.00 -1.26 -5.02 105.19 101.55 1jgd n GLY 221 Ca 0.05 -0.10 -0.32 0.00 0.00 0.00 0.00 46.02 45.65 1jgd n GLY 221 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1jgd s GLU 222 N -0.63 2.96 0.34 1.61 2.02 -0.34 -5.02 118.70 119.64 1jgd s GLU 222 Ca 0.00 -0.79 -0.29 0.00 0.02 0.00 0.00 54.97 53.91 1jgd s GLU 222 Cb 0.00 -2.39 -0.11 0.00 0.10 0.00 0.00 34.13 31.73 1jgd s GLU 222 CO 0.00 0.31 1.51 -0.51 0.02 0.00 0.00 175.26 176.58 1jgd s ASP 223 N 0.06 6.40 -0.50 -0.19 1.11 -1.26 -0.16 116.67 122.13 1jgd s ASP 223 Ca -0.08 2.98 0.03 0.00 0.18 0.00 0.00 52.55 55.65 1jgd s ASP 223 Cb -0.15 -2.65 0.44 0.00 1.07 0.00 0.00 42.92 41.62 1jgd s ASP 223 CO 0.05 -0.86 1.55 0.00 1.18 0.00 0.00 175.17 177.10 1jgd n GLN 224 N 1.13 3.19 -0.10 8.23 1.13 0.14 -4.83 117.38 126.28 1jgd n GLN 224 Ca 0.04 -3.86 -0.06 0.00 -1.94 0.00 0.00 57.00 51.18 1jgd n GLN 224 Cb 0.39 -2.28 0.01 0.00 0.11 0.00 0.00 30.24 28.47 1jgd n GLN 224 CO 0.00 0.00 0.00 1.79 -1.44 0.00 0.00 177.06 177.41 1jgd h THR 225 N 1.83 0.77 0.00 5.09 1.35 -1.91 -1.89 112.91 118.15 1jgd h THR 225 Ca 0.46 -0.04 -0.02 0.00 -0.55 0.00 0.00 66.41 66.26 1jgd h THR 225 Cb 1.04 0.64 -0.00 0.00 -1.73 0.00 0.00 68.15 68.10 1jgd h THR 225 CO 1.12 0.02 -0.11 1.56 -0.25 0.00 0.00 175.52 177.87 1jgd h GLN 226 N 0.12 0.00 -0.48 4.72 4.20 -1.99 -2.65 115.11 119.03 1jgd h GLN 226 Ca 0.16 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.87 1jgd h GLN 226 Cb 0.21 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.99 1jgd h GLN 226 CO -0.26 0.11 0.00 -0.25 -0.67 0.00 0.00 178.83 177.76 1jgd n ASP 227 N -3.45 3.34 -4.76 1.46 8.00 -0.78 -4.97 116.55 115.40 1jgd n ASP 227 Ca -0.01 -1.96 -0.36 0.00 0.71 0.00 0.00 54.79 53.16 1jgd n ASP 227 Cb 0.27 -0.32 -0.07 0.00 -0.02 0.00 0.00 41.12 40.98 1jgd n ASP 227 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1jgd s THR 228 N -1.07 5.31 -0.20 -3.53 2.01 -0.80 -4.55 115.64 112.81 1jgd s THR 228 Ca 0.35 0.51 -0.17 0.00 0.31 0.00 0.00 61.69 62.70 1jgd s THR 228 Cb 0.19 -3.60 -0.04 0.00 0.01 0.00 0.00 72.50 69.06 1jgd s THR 228 CO 0.25 0.44 0.43 -0.70 -0.69 0.00 0.00 174.62 174.35 1jgd s GLU 229 N 0.13 4.18 -0.12 4.92 2.12 0.12 -4.90 118.70 125.15 1jgd s GLU 229 Ca 0.16 0.26 0.02 0.00 0.36 0.00 0.00 54.97 55.77 1jgd s GLU 229 Cb -0.13 -3.54 0.01 0.00 0.26 0.00 0.00 34.13 30.73 1jgd s GLU 229 CO 0.04 -0.07 -0.16 -1.17 -0.54 0.00 0.00 175.26 173.36 1jgd s LEU 230 N 1.39 1.80 0.41 2.70 2.96 -1.26 -0.10 118.68 126.59 1jgd s LEU 230 Ca 0.20 -0.47 -0.10 0.00 -0.22 0.00 0.00 54.13 53.55 1jgd s LEU 230 Cb -0.15 -1.17 -0.06 0.00 0.50 0.00 0.00 46.19 45.31 1jgd s LEU 230 CO 0.08 0.02 0.77 0.68 -1.32 0.00 0.00 176.35 176.58 1jgd s VAL 231 N 1.01 4.81 0.40 1.68 -7.23 -0.88 -5.02 120.40 115.17 1jgd s VAL 231 Ca -0.05 0.55 -0.26 0.00 -1.81 0.00 0.00 61.98 60.40 1jgd s VAL 231 Cb -0.15 -3.75 -0.09 0.00 0.56 0.00 0.00 36.38 32.95 1jgd s VAL 231 CO -0.03 -0.57 1.30 -1.61 -0.31 0.00 0.00 175.10 173.88 1jgd s GLU 232 N -3.98 4.01 0.35 4.82 0.41 -1.26 -4.58 118.70 118.48 1jgd s GLU 232 Ca 0.50 2.15 -0.28 0.00 -0.41 0.00 0.00 54.97 56.93 1jgd s GLU 232 Cb -0.10 -2.79 -0.11 0.00 -1.78 0.00 0.00 34.13 29.35 1jgd s GLU 232 CO 0.33 -0.45 1.42 0.99 -0.49 0.00 0.00 175.26 177.06 1jgd s THR 233 N -1.26 2.34 0.03 3.63 2.01 -1.26 -4.85 115.64 116.28 1jgd s THR 233 Ca 0.56 0.33 0.02 0.00 0.31 0.00 0.00 61.69 62.91 1jgd s THR 233 Cb -0.38 -3.21 -0.02 0.00 0.01 0.00 0.00 72.50 68.90 1jgd s THR 233 CO 0.49 0.08 -0.06 0.00 -0.69 0.00 0.00 174.62 174.43 1jgd s ARG 234 N -1.84 0.44 0.19 4.92 1.70 -0.12 -4.95 118.95 119.29 1jgd s ARG 234 Ca 0.52 -0.58 -0.30 0.00 -0.47 0.00 0.00 55.73 54.90 1jgd s ARG 234 Cb -0.44 -0.23 -0.08 0.00 -0.57 0.00 0.00 34.95 33.63 1jgd s ARG 234 CO 0.58 0.04 1.11 -1.25 -1.08 0.00 0.00 175.30 174.70 1jgd s PRO 235 N -1.18 4.59 0.44 3.89 0.04 -1.26 -0.36 135.00 141.15 1jgd s PRO 235 Ca -0.08 1.75 0.24 0.00 0.04 0.00 0.00 61.00 62.95 1jgd s PRO 235 Cb -0.08 -3.26 0.53 0.00 0.04 0.00 0.00 34.50 31.73 1jgd s PRO 235 CO 0.00 0.07 1.67 0.00 0.04 0.00 0.00 177.00 178.78 1jgd h ALA 236 N 4.93 0.96 0.00 8.56 0.00 -0.74 -3.46 119.26 129.50 1jgd h ALA 236 Ca -0.45 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.39 1jgd h ALA 236 Cb 1.21 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.99 1jgd h ALA 236 CO 0.72 0.10 0.00 0.41 0.00 0.00 0.00 179.25 180.48 1jgd n GLY 237 N 0.86 0.60 0.73 0.00 0.00 -1.26 -4.92 105.19 101.20 1jgd n GLY 237 Ca 0.03 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.11 1jgd n GLY 237 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1jgd n ASP 238 N 0.00 1.59 0.00 1.61 5.68 -1.26 -4.94 116.55 119.22 1jgd n ASP 238 Ca 0.00 -3.42 0.00 0.00 -0.50 0.00 0.00 54.79 50.87 1jgd n ASP 238 Cb 0.00 -0.47 0.00 0.00 -1.14 0.00 0.00 41.12 39.51 1jgd n ASP 238 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 1jgd n ARG 239 N -0.80 0.00 -3.72 0.11 1.74 -1.26 -5.02 116.66 107.70 1jgd n ARG 239 Ca 0.16 0.00 -0.24 0.00 -0.77 0.00 0.00 57.85 56.99 1jgd n ARG 239 Cb 0.78 -1.81 -0.00 0.00 -1.02 0.00 0.00 32.46 30.40 1jgd n ARG 239 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 1jgd s THR 240 N -3.37 1.93 0.26 0.55 -4.23 -1.26 -4.85 115.64 104.68 1jgd s THR 240 Ca 0.00 -1.41 0.04 0.00 -1.18 0.00 0.00 61.69 59.15 1jgd s THR 240 Cb 0.00 -2.34 -0.06 0.00 1.34 0.00 0.00 72.50 71.44 1jgd s THR 240 CO 0.00 0.00 -0.00 -0.36 -0.54 0.00 0.00 174.62 173.72 1jgd s PHE 241 N -2.69 1.72 0.07 3.99 0.08 0.82 -0.02 117.98 121.95 1jgd s PHE 241 Ca 0.41 -0.88 0.03 0.00 0.12 0.00 0.00 56.93 56.60 1jgd s PHE 241 Cb -0.03 -1.02 -0.03 0.00 -0.57 0.00 0.00 43.02 41.37 1jgd s PHE 241 CO 0.25 0.04 -0.09 -0.65 -0.10 0.00 0.00 175.22 174.67 1jgd s GLN 242 N -3.84 0.70 -0.05 0.44 -0.21 0.51 -1.87 119.66 115.34 1jgd s GLN 242 Ca 0.30 -0.98 -0.31 0.00 0.02 0.00 0.00 55.36 54.39 1jgd s GLN 242 Cb 0.06 -0.41 0.07 0.00 1.00 0.00 0.00 33.01 33.73 1jgd s GLN 242 CO 0.11 0.06 0.68 0.21 -2.12 0.00 0.00 175.29 174.23 1jgd s LYS 243 N -2.28 1.06 0.11 2.91 2.20 -0.18 -0.95 119.74 122.61 1jgd s LYS 243 Ca -0.01 0.26 -0.01 0.00 -0.36 0.00 0.00 55.97 55.85 1jgd s LYS 243 Cb -0.06 0.50 -0.04 0.00 -1.51 0.00 0.00 37.83 36.72 1jgd s LYS 243 CO -0.00 -0.33 0.02 1.67 -0.36 0.00 0.00 175.35 176.35 1jgd s TRP 244 N -1.18 0.77 -0.01 4.03 1.48 -1.26 -0.99 118.94 121.78 1jgd s TRP 244 Ca -0.11 -1.16 0.02 0.00 -1.06 0.00 0.00 56.10 53.79 1jgd s TRP 244 Cb -0.00 -0.46 -0.00 0.00 -1.16 0.00 0.00 33.47 31.84 1jgd s TRP 244 CO 0.10 -0.45 -0.06 0.00 -4.06 0.00 0.00 176.95 172.48 1jgd s ALA 245 N -3.97 0.54 0.09 2.67 0.00 -0.69 -2.08 121.76 118.32 1jgd s ALA 245 Ca 0.18 -0.27 0.03 0.00 0.00 0.00 0.00 51.96 51.90 1jgd s ALA 245 Cb 0.08 -0.14 -0.04 0.00 0.00 0.00 0.00 23.12 23.02 1jgd s ALA 245 CO -0.02 0.13 -0.09 0.00 0.00 0.00 0.00 175.76 175.78 1jgd s ALA 246 N -0.13 0.97 0.02 0.00 0.00 0.86 0.22 121.76 123.69 1jgd s ALA 246 Ca 0.02 -1.15 -0.02 0.00 0.00 0.00 0.00 51.96 50.82 1jgd s ALA 246 Cb -0.03 0.07 -0.02 0.00 0.00 0.00 0.00 23.12 23.15 1jgd s ALA 246 CO -0.00 -0.09 0.01 0.14 0.00 0.00 0.00 175.76 175.81 1jgd s VAL 247 N -2.58 0.10 -0.23 0.00 -7.23 -0.44 0.10 120.40 110.14 1jgd s VAL 247 Ca 0.04 -0.86 -0.10 0.00 -1.81 0.00 0.00 61.98 59.25 1jgd s VAL 247 Cb -0.02 -0.30 -0.05 0.00 0.56 0.00 0.00 36.38 36.58 1jgd s VAL 247 CO -0.01 -0.47 0.13 -0.69 -0.31 0.00 0.00 175.10 173.74 1jgd s VAL 248 N -1.44 5.15 0.14 1.32 1.01 -1.26 -0.24 120.40 125.08 1jgd s VAL 248 Ca -0.16 0.10 0.08 0.00 0.00 0.00 0.00 61.98 62.00 1jgd s VAL 248 Cb -0.09 -3.38 -0.04 0.00 0.00 0.00 0.00 36.38 32.86 1jgd s VAL 248 CO -0.00 0.37 -0.18 0.68 0.00 0.00 0.00 175.10 175.97 1jgd s VAL 249 N 0.92 1.66 0.29 2.92 -7.23 0.67 -4.92 120.40 114.70 1jgd s VAL 249 Ca 0.06 -1.77 -0.29 0.00 -1.81 0.00 0.00 61.98 58.18 1jgd s VAL 249 Cb -0.13 -1.68 -0.10 0.00 0.56 0.00 0.00 36.38 35.03 1jgd s VAL 249 CO 0.03 -0.28 1.27 -2.84 -0.31 0.00 0.00 175.10 172.97 1jgd s PRO 250 N -2.53 4.42 0.26 4.82 0.02 -1.26 -1.15 135.00 139.57 1jgd s PRO 250 Ca 0.11 2.09 -0.31 0.00 0.02 0.00 0.00 61.00 62.92 1jgd s PRO 250 Cb -0.07 -3.13 -0.12 0.00 0.02 0.00 0.00 34.50 31.21 1jgd s PRO 250 CO 0.05 -0.13 1.66 0.45 -0.33 0.00 0.00 177.00 178.70 1jgd s SER 251 N -0.34 6.36 0.00 2.53 0.15 0.24 -0.81 113.70 121.83 1jgd s SER 251 Ca 0.50 2.93 0.00 0.00 0.70 0.00 0.00 55.95 60.08 1jgd s SER 251 Cb -0.37 -2.62 0.00 0.00 -1.71 0.00 0.00 66.02 61.32 1jgd s SER 251 CO 0.46 -0.95 0.00 0.61 1.20 0.00 0.00 173.24 174.57 1jgd n GLY 252 N 2.95 2.76 0.95 9.45 0.00 -1.26 -4.92 105.19 115.13 1jgd n GLY 252 Ca 0.12 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.24 1jgd n GLY 252 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1jgd n GLU 253 N -0.88 2.18 -0.34 1.61 1.02 0.01 -4.61 120.64 119.62 1jgd n GLU 253 Ca 0.00 -1.98 0.18 0.00 -0.02 0.00 0.00 57.16 55.33 1jgd n GLU 253 Cb 0.00 -1.44 0.40 0.00 -0.02 0.00 0.00 31.44 30.38 1jgd n GLU 253 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 1jgd h GLU 254 N 4.10 0.56 0.00 3.49 3.07 -1.92 0.13 114.58 124.01 1jgd h GLU 254 Ca 0.00 -0.03 0.00 0.00 -0.50 0.00 0.00 59.36 58.83 1jgd h GLU 254 Cb 0.90 -0.13 0.00 0.00 -0.84 0.00 0.00 28.75 28.69 1jgd h GLU 254 CO 0.00 0.37 0.00 1.04 -1.40 0.00 0.00 179.01 179.02 1jgd n GLN 255 N -4.84 0.58 0.04 2.33 1.13 -1.26 -1.33 117.38 114.03 1jgd n GLN 255 Ca 0.26 0.03 0.13 0.00 -1.94 0.00 0.00 57.00 55.48 1jgd n GLN 255 Cb 0.75 -1.50 0.39 0.00 0.11 0.00 0.00 30.24 29.98 1jgd n GLN 255 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 1jgd n ARG 256 N -1.12 0.13 -3.87 -1.09 1.74 0.45 -4.86 116.66 108.04 1jgd n ARG 256 Ca 0.15 0.07 -0.36 0.00 -0.77 0.00 0.00 57.85 56.95 1jgd n ARG 256 Cb 0.13 -1.62 -0.08 0.00 -1.02 0.00 0.00 32.46 29.88 1jgd n ARG 256 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 1jgd s TYR 257 N -3.06 3.45 0.06 -1.55 1.51 -0.44 -0.27 117.35 117.04 1jgd s TYR 257 Ca 0.11 0.37 0.06 0.00 -1.01 0.00 0.00 57.07 56.59 1jgd s TYR 257 Cb 0.16 -2.03 -0.03 0.00 -0.11 0.00 0.00 41.96 39.95 1jgd s TYR 257 CO 0.63 0.47 -0.15 0.95 -1.11 0.00 0.00 175.55 176.33 1jgd s THR 258 N -0.28 1.23 -0.12 -0.71 -4.23 0.18 -4.62 115.64 107.09 1jgd s THR 258 Ca 0.10 -1.17 -0.04 0.00 -1.18 0.00 0.00 61.69 59.41 1jgd s THR 258 Cb -0.12 -1.13 -0.03 0.00 1.34 0.00 0.00 72.50 72.56 1jgd s THR 258 CO 0.01 -0.05 0.02 0.00 -0.54 0.00 0.00 174.62 174.06 1jgd s HIS 260 N -0.40 2.64 -0.11 0.00 3.76 0.10 0.30 115.29 121.58 1jgd s HIS 260 Ca 0.08 -0.99 0.02 0.00 -0.15 0.00 0.00 55.06 54.02 1jgd s HIS 260 Cb -0.12 -1.76 0.01 0.00 1.11 0.00 0.00 32.58 31.82 1jgd s HIS 260 CO 0.02 -0.40 -0.17 0.08 -0.85 0.00 0.00 174.74 173.43 1jgd s VAL 261 N 0.41 1.60 -0.11 -0.90 1.01 -0.18 -1.28 120.40 120.96 1jgd s VAL 261 Ca -0.15 -0.71 0.03 0.00 0.00 0.00 0.00 61.98 61.15 1jgd s VAL 261 Cb -0.17 -1.45 -0.00 0.00 0.00 0.00 0.00 36.38 34.76 1jgd s VAL 261 CO 0.07 0.46 -0.22 -1.10 0.00 0.00 0.00 175.10 174.31 1jgd s GLN 262 N 0.91 3.11 -0.17 2.72 -0.21 -0.03 -1.23 119.66 124.75 1jgd s GLN 262 Ca -0.08 -0.84 -0.28 0.00 0.02 0.00 0.00 55.36 54.18 1jgd s GLN 262 Cb -0.15 -2.38 0.08 0.00 1.00 0.00 0.00 33.01 31.56 1jgd s GLN 262 CO -0.01 0.16 0.75 -1.58 -2.12 0.00 0.00 175.29 172.49 1jgd s HIS 263 N 0.41 -0.68 -0.37 0.91 2.46 -1.26 -1.10 115.29 115.66 1jgd s HIS 263 Ca -0.16 1.45 0.24 0.00 0.47 0.00 0.00 55.06 57.06 1jgd s HIS 263 Cb -0.17 0.35 1.06 0.00 -0.13 0.00 0.00 32.58 33.69 1jgd s HIS 263 CO 0.07 -0.46 1.74 1.05 -2.47 0.00 0.00 174.74 174.67 1jgd h GLU 264 N 3.95 0.00 -0.00 2.88 4.11 -1.93 -0.71 114.58 122.88 1jgd h GLU 264 Ca -0.27 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.16 1jgd h GLU 264 Cb 1.15 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.40 1jgd h GLU 264 CO 0.21 0.00 -0.02 0.41 0.07 0.00 0.00 179.01 179.68 1jgd n GLY 265 N -0.22 -1.38 3.71 1.06 0.00 -1.26 -4.72 105.19 102.38 1jgd n GLY 265 Ca 0.01 -0.13 -0.36 0.00 0.00 0.00 0.00 46.02 45.55 1jgd n GLY 265 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1jgd s LEU 266 N -2.81 4.18 0.21 0.99 1.43 -0.27 -4.28 118.68 118.12 1jgd s LEU 266 Ca 0.20 0.19 -0.09 0.00 -1.03 0.00 0.00 54.13 53.40 1jgd s LEU 266 Cb 0.20 -2.10 0.23 0.00 0.03 0.00 0.00 46.19 44.55 1jgd s LEU 266 CO 0.51 0.14 1.81 -0.65 0.23 0.00 0.00 176.35 178.39 1jgd h PRO 267 N 6.96 0.68 -4.81 1.29 0.11 -1.84 -3.43 132.00 130.96 1jgd h PRO 267 Ca -0.40 -0.04 -0.32 0.00 0.11 0.00 0.00 66.00 65.35 1jgd h PRO 267 Cb 1.16 -0.15 -0.21 0.00 0.11 0.00 0.00 31.00 31.90 1jgd h PRO 267 CO 0.72 0.45 -0.75 0.15 -0.21 0.00 0.00 178.00 178.36 1jgd s LYS 268 N -6.10 0.62 0.32 1.05 1.02 -1.26 -5.12 119.74 110.27 1jgd s LYS 268 Ca -0.13 -0.81 -0.28 0.00 0.02 0.00 0.00 55.97 54.77 1jgd s LYS 268 Cb 0.16 -0.46 -0.13 0.00 -0.52 0.00 0.00 37.83 36.88 1jgd s LYS 268 CO 0.76 0.09 1.18 -2.30 -0.92 0.00 0.00 175.35 174.16 1jgd n PRO 269 N 1.42 1.81 -3.63 -1.68 -0.02 -1.26 -4.97 135.00 126.67 1jgd n PRO 269 Ca -0.22 0.63 -0.31 0.00 -2.02 0.00 0.00 63.50 61.58 1jgd n PRO 269 Cb 0.54 -2.13 -0.05 0.00 -0.02 0.00 0.00 33.50 31.85 1jgd n PRO 269 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1jgd s LEU 270 N -0.40 4.25 -0.10 2.45 1.43 -0.37 -4.92 118.68 121.02 1jgd s LEU 270 Ca 0.57 0.63 0.01 0.00 -1.03 0.00 0.00 54.13 54.32 1jgd s LEU 270 Cb -0.62 -3.37 0.02 0.00 0.03 0.00 0.00 46.19 42.24 1jgd s LEU 270 CO 0.61 0.03 -0.12 -0.89 0.23 0.00 0.00 176.35 176.21 1jgd s THR 271 N -1.70 1.21 0.16 5.49 2.01 -1.25 -1.01 115.64 120.56 1jgd s THR 271 Ca 0.42 -0.46 0.06 0.00 0.31 0.00 0.00 61.69 62.01 1jgd s THR 271 Cb -0.12 -1.14 -0.04 0.00 0.01 0.00 0.00 72.50 71.21 1jgd s THR 271 CO 0.24 0.38 -0.12 -0.76 -0.69 0.00 0.00 174.62 173.68 1jgd s LEU 272 N 1.12 2.52 0.29 4.42 1.02 0.15 -4.93 118.68 123.27 1jgd s LEU 272 Ca -0.05 -0.99 0.02 0.00 0.02 0.00 0.00 54.13 53.13 1jgd s LEU 272 Cb -0.14 -0.49 -0.05 0.00 0.02 0.00 0.00 46.19 45.53 1jgd s LEU 272 CO -0.02 -0.25 0.10 0.00 0.02 0.00 0.00 176.35 176.20 1jgd s ARG 273 N -3.56 1.51 0.12 1.70 1.70 -1.26 -0.17 118.95 118.99 1jgd s ARG 273 Ca 0.18 -1.84 -0.31 0.00 -0.47 0.00 0.00 55.73 53.29 1jgd s ARG 273 Cb 0.00 -0.34 -0.08 0.00 -0.57 0.00 0.00 34.95 33.97 1jgd s ARG 273 CO 0.03 -0.32 1.35 -0.46 -1.08 0.00 0.00 175.30 174.82 1jgd s TRP 274 N -3.63 3.28 -0.56 5.89 -0.00 -1.26 -4.57 118.94 118.09 1jgd s TRP 274 Ca 0.36 1.06 0.04 0.00 -0.00 0.00 0.00 56.10 57.56 1jgd s TRP 274 Cb 0.07 -3.63 0.14 0.00 -0.00 0.00 0.00 33.47 30.05 1jgd s TRP 274 CO 0.15 -2.12 0.31 -1.21 -0.00 0.00 0.00 176.95 174.08 1jgd s GLU 275 N 0.87 2.10 0.00 5.86 2.02 -1.26 -4.99 118.70 123.30 1jgd s GLU 275 Ca 0.62 -2.72 0.11 0.00 0.02 0.00 0.00 54.97 53.00 1jgd s GLU 275 Cb -0.36 -3.37 0.65 0.00 0.10 0.00 0.00 34.13 31.15 1jgd s GLU 275 CO 0.31 -1.14 1.09 -0.35 0.02 0.00 0.00 175.26 175.19