#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gsw s SER 2 N 0.00 6.33 0.08 1.61 1.04 -1.26 -4.57 113.70 116.92 3gsw s SER 2 Ca 0.00 1.71 0.02 0.00 0.48 0.00 0.00 55.95 58.16 3gsw s SER 2 Cb 0.00 -2.53 -0.04 0.00 0.10 0.00 0.00 66.02 63.56 3gsw s SER 2 CO 0.00 -0.79 -0.07 -1.00 0.98 0.00 0.00 173.24 172.36 3gsw s HIS 3 N -2.44 0.83 0.02 5.02 0.09 -0.65 -5.00 115.29 113.17 3gsw s HIS 3 Ca 0.62 -0.81 0.01 0.00 -0.00 0.00 0.00 55.06 54.88 3gsw s HIS 3 Cb -0.13 -0.49 -0.02 0.00 -0.00 0.00 0.00 32.58 31.95 3gsw s HIS 3 CO 0.30 -0.13 -0.05 -1.54 -0.00 0.00 0.00 174.74 173.32 3gsw s SER 4 N -2.67 0.51 -0.06 1.40 1.04 -1.26 -0.51 113.70 112.14 3gsw s SER 4 Ca 0.06 -0.43 0.05 0.00 0.48 0.00 0.00 55.95 56.11 3gsw s SER 4 Cb 0.01 0.05 -0.01 0.00 0.10 0.00 0.00 66.02 66.18 3gsw s SER 4 CO -0.03 -0.20 -0.23 -0.32 0.98 0.00 0.00 173.24 173.44 3gsw s MET 5 N -1.24 2.47 -0.03 4.02 -2.45 -0.22 -0.86 119.30 120.99 3gsw s MET 5 Ca -0.10 -0.83 -0.03 0.00 -1.25 0.00 0.00 55.69 53.48 3gsw s MET 5 Cb -0.08 -2.04 0.01 0.00 1.25 0.00 0.00 34.83 33.96 3gsw s MET 5 CO -0.00 0.30 0.08 1.03 1.05 0.00 0.00 175.02 177.48 3gsw s ARG 6 N 0.00 0.09 -0.03 4.11 1.81 -0.39 -1.38 118.95 123.16 3gsw s ARG 6 Ca -0.07 0.13 0.04 0.00 -1.72 0.00 0.00 55.73 54.12 3gsw s ARG 6 Cb -0.14 0.02 -0.03 0.00 -0.45 0.00 0.00 34.95 34.35 3gsw s ARG 6 CO 0.04 -0.03 -0.14 0.71 -0.68 0.00 0.00 175.30 175.20 3gsw s TYR 7 N 0.16 2.69 -0.08 -0.53 1.51 -0.19 -0.65 117.35 120.26 3gsw s TYR 7 Ca -0.01 -0.16 0.03 0.00 -1.01 0.00 0.00 57.07 55.91 3gsw s TYR 7 Cb -0.02 -1.59 0.01 0.00 -0.11 0.00 0.00 41.96 40.25 3gsw s TYR 7 CO -0.00 0.22 -0.15 -0.06 -1.11 0.00 0.00 175.55 174.44 3gsw s PHE 8 N -0.80 1.78 -0.04 2.71 0.40 -0.30 -2.11 117.98 119.62 3gsw s PHE 8 Ca 0.13 -0.70 0.03 0.00 -0.60 0.00 0.00 56.93 55.79 3gsw s PHE 8 Cb -0.11 -1.26 0.00 0.00 0.51 0.00 0.00 43.02 42.16 3gsw s PHE 8 CO 0.02 -0.33 -0.13 -0.06 0.70 0.00 0.00 175.22 175.42 3gsw s PHE 9 N 0.62 1.33 -0.06 0.36 0.40 0.17 -0.96 117.98 119.84 3gsw s PHE 9 Ca -0.15 -0.39 -0.00 0.00 -0.60 0.00 0.00 56.93 55.79 3gsw s PHE 9 Cb -0.16 -0.94 0.02 0.00 0.51 0.00 0.00 43.02 42.46 3gsw s PHE 9 CO 0.04 -0.16 -0.03 0.99 0.70 0.00 0.00 175.22 176.76 3gsw s THR 10 N 0.26 0.55 -0.06 0.64 2.01 -0.46 -1.60 115.64 116.98 3gsw s THR 10 Ca -0.06 -0.06 0.06 0.00 0.31 0.00 0.00 61.69 61.94 3gsw s THR 10 Cb -0.11 -0.62 -0.01 0.00 0.01 0.00 0.00 72.50 71.76 3gsw s THR 10 CO 0.02 0.26 -0.24 -0.44 -0.69 0.00 0.00 174.62 173.53 3gsw s SER 11 N 1.42 2.90 -0.11 3.53 0.01 -0.29 -1.21 113.70 119.95 3gsw s SER 11 Ca -0.03 -0.48 -0.01 0.00 1.31 0.00 0.00 55.95 56.74 3gsw s SER 11 Cb -0.13 -0.81 0.03 0.00 0.21 0.00 0.00 66.02 65.31 3gsw s SER 11 CO -0.03 0.23 -0.06 -0.69 0.41 0.00 0.00 173.24 173.10 3gsw s VAL 12 N -0.11 0.91 0.56 3.43 1.01 -0.22 -1.15 120.40 124.83 3gsw s VAL 12 Ca -0.04 -0.25 -0.19 0.00 0.00 0.00 0.00 61.98 61.50 3gsw s VAL 12 Cb -0.13 -0.98 -0.05 0.00 0.00 0.00 0.00 36.38 35.22 3gsw s VAL 12 CO 0.04 0.32 1.12 -0.94 0.00 0.00 0.00 175.10 175.63 3gsw s SER 13 N 1.75 5.66 -0.53 3.32 1.04 -0.50 -1.14 113.70 123.30 3gsw s SER 13 Ca 0.04 2.12 0.04 0.00 0.48 0.00 0.00 55.95 58.63 3gsw s SER 13 Cb -0.13 -2.57 0.16 0.00 0.10 0.00 0.00 66.02 63.58 3gsw s SER 13 CO -0.08 -1.26 0.36 -0.13 0.98 0.00 0.00 173.24 173.12 3gsw s ARG 14 N -3.45 1.58 0.49 4.02 0.52 -1.26 -4.35 118.95 116.50 3gsw s ARG 14 Ca 0.71 -2.52 0.18 0.00 -0.52 0.00 0.00 55.73 53.58 3gsw s ARG 14 Cb -0.22 -2.42 1.21 0.00 0.52 0.00 0.00 34.95 34.03 3gsw s ARG 14 CO 0.29 -1.28 2.04 -1.35 0.02 0.00 0.00 175.30 175.02 3gsw h PRO 15 N 5.89 0.17 -0.66 3.54 0.11 -1.84 -2.80 132.00 136.40 3gsw h PRO 15 Ca 0.14 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 66.23 3gsw h PRO 15 Cb 0.86 -0.04 -0.03 0.00 0.11 0.00 0.00 31.00 31.90 3gsw h PRO 15 CO 0.53 0.11 0.39 0.78 -0.21 0.00 0.00 178.00 179.60 3gsw h GLY 16 N 0.17 0.96 -5.74 -0.55 0.00 -1.91 -3.46 103.07 92.54 3gsw h GLY 16 Ca 0.19 -0.40 0.10 0.00 0.00 0.00 0.00 47.33 47.21 3gsw h GLY 16 CO -0.03 0.39 0.39 -1.60 0.00 0.00 0.00 176.54 175.69 3gsw s ARG 17 N -5.97 0.42 0.46 4.80 3.52 -1.06 -5.18 118.95 115.94 3gsw s ARG 17 Ca -0.13 0.66 0.00 0.00 -0.13 0.00 0.00 55.73 56.13 3gsw s ARG 17 Cb 0.14 0.12 0.00 0.00 -1.56 0.00 0.00 34.95 33.65 3gsw s ARG 17 CO 0.78 -0.08 0.00 0.41 -0.81 0.00 0.00 175.30 175.60 3gsw n GLY 18 N 3.29 -2.32 3.90 8.12 0.00 -1.26 -4.82 105.19 112.10 3gsw n GLY 18 Ca -0.17 -1.62 -0.29 0.00 0.00 0.00 0.00 46.02 43.94 3gsw n GLY 18 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3gsw s GLU 19 N -0.40 3.34 0.64 1.61 2.02 -1.26 -4.59 118.70 120.06 3gsw s GLU 19 Ca 0.00 0.34 -0.18 0.00 0.02 0.00 0.00 54.97 55.15 3gsw s GLU 19 Cb 0.00 -2.23 -0.02 0.00 0.10 0.00 0.00 34.13 31.98 3gsw s GLU 19 CO 0.00 -0.52 1.16 -2.30 0.02 0.00 0.00 175.26 173.62 3gsw n PRO 20 N -2.56 0.99 -2.64 0.39 -0.02 -1.26 -4.57 135.00 125.33 3gsw n PRO 20 Ca 0.04 0.39 -0.43 0.00 -2.02 0.00 0.00 63.50 61.48 3gsw n PRO 20 Cb 0.56 -2.39 -0.02 0.00 -0.02 0.00 0.00 33.50 31.62 3gsw n PRO 20 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 3gsw s ARG 21 N -3.18 4.33 -0.12 -0.52 6.06 -0.29 -4.84 118.95 120.38 3gsw s ARG 21 Ca 0.80 1.41 0.03 0.00 -2.50 0.00 0.00 55.73 55.47 3gsw s ARG 21 Cb -0.39 -3.61 0.00 0.00 0.06 0.00 0.00 34.95 31.02 3gsw s ARG 21 CO 0.43 -0.50 -0.22 0.12 -2.50 0.00 0.00 175.30 172.63 3gsw s PHE 22 N 2.70 2.64 -0.09 5.12 5.36 -1.26 -1.06 117.98 131.38 3gsw s PHE 22 Ca 0.47 -1.15 0.01 0.00 -0.96 0.00 0.00 56.93 55.30 3gsw s PHE 22 Cb -0.17 -1.78 0.02 0.00 -0.34 0.00 0.00 43.02 40.75 3gsw s PHE 22 CO 0.12 -0.49 -0.10 0.42 -1.46 0.00 0.00 175.22 173.71 3gsw s ILE 23 N 0.59 1.10 -0.05 3.12 1.01 -0.35 -0.95 121.20 125.67 3gsw s ILE 23 Ca -0.12 -0.39 0.04 0.00 0.00 0.00 0.00 60.65 60.18 3gsw s ILE 23 Cb -0.17 -1.07 -0.02 0.00 0.01 0.00 0.00 42.46 41.22 3gsw s ILE 23 CO 0.03 0.37 -0.17 0.00 0.00 0.00 0.00 174.94 175.17 3gsw s ALA 24 N 1.24 2.53 0.01 9.38 0.00 -0.05 -1.36 121.76 133.52 3gsw s ALA 24 Ca -0.04 -1.00 0.02 0.00 0.00 0.00 0.00 51.96 50.94 3gsw s ALA 24 Cb -0.14 -0.89 -0.01 0.00 0.00 0.00 0.00 23.12 22.08 3gsw s ALA 24 CO -0.03 0.51 -0.07 0.14 0.00 0.00 0.00 175.76 176.31 3gsw s VAL 25 N -0.57 0.53 -0.05 0.00 -7.23 -0.13 -1.23 120.40 111.70 3gsw s VAL 25 Ca 0.08 -0.59 0.05 0.00 -1.81 0.00 0.00 61.98 59.71 3gsw s VAL 25 Cb -0.11 -0.50 -0.02 0.00 0.56 0.00 0.00 36.38 36.30 3gsw s VAL 25 CO 0.01 -0.06 -0.19 -0.83 -0.31 0.00 0.00 175.10 173.72 3gsw s GLY 26 N -0.71 1.43 0.02 2.32 0.00 -0.67 -1.15 107.32 108.57 3gsw s GLY 26 Ca -0.02 -1.01 0.05 0.00 0.00 0.00 0.00 44.72 43.74 3gsw s GLY 26 CO 0.00 -0.72 -0.15 -0.19 0.00 0.00 0.00 173.10 172.04 3gsw s TYR 27 N -0.48 1.33 -0.24 1.90 1.51 0.18 -0.48 117.35 121.07 3gsw s TYR 27 Ca 0.06 -0.32 -0.05 0.00 -1.01 0.00 0.00 57.07 55.75 3gsw s TYR 27 Cb -0.12 -0.81 -0.01 0.00 -0.11 0.00 0.00 41.96 40.91 3gsw s TYR 27 CO 0.01 0.02 0.00 0.08 -1.11 0.00 0.00 175.55 174.56 3gsw s VAL 28 N -0.67 3.70 0.00 0.71 1.01 -0.36 -1.27 120.40 123.52 3gsw s VAL 28 Ca 0.04 -0.43 0.00 0.00 0.00 0.00 0.00 61.98 61.58 3gsw s VAL 28 Cb -0.07 -2.73 0.00 0.00 0.00 0.00 0.00 36.38 33.58 3gsw s VAL 28 CO 0.01 0.36 0.00 0.47 0.00 0.00 0.00 175.10 175.93 3gsw n ASP 29 N 4.84 0.00 -1.55 3.32 10.43 -0.04 -1.26 116.55 132.29 3gsw n ASP 29 Ca -0.17 0.00 0.06 0.00 2.57 0.00 0.00 54.79 57.25 3gsw n ASP 29 Cb 0.51 0.00 0.31 0.00 1.84 0.00 0.00 41.12 43.78 3gsw n ASP 29 CO 0.00 0.00 0.00 0.47 -1.07 0.00 0.00 177.20 176.60 3gsw n ASP 30 N 4.27 4.59 -4.20 -2.24 8.00 -1.26 -4.87 116.55 120.84 3gsw n ASP 30 Ca 0.00 -2.67 -0.34 0.00 0.71 0.00 0.00 54.79 52.49 3gsw n ASP 30 Cb 0.00 -0.62 -0.14 0.00 -0.02 0.00 0.00 41.12 40.33 3gsw n ASP 30 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3gsw s THR 31 N -2.28 2.89 0.26 -3.53 2.01 -0.39 -5.03 115.64 109.58 3gsw s THR 31 Ca 0.43 -1.03 -0.29 0.00 0.31 0.00 0.00 61.69 61.10 3gsw s THR 31 Cb 0.32 -2.48 -0.09 0.00 0.01 0.00 0.00 72.50 70.26 3gsw s THR 31 CO 0.14 0.19 1.19 -1.58 -0.69 0.00 0.00 174.62 173.87 3gsw s GLN 32 N 1.32 4.51 0.00 4.92 0.74 -1.26 -1.23 119.66 128.67 3gsw s GLN 32 Ca -0.00 1.94 0.00 0.00 0.05 0.00 0.00 55.36 57.35 3gsw s GLN 32 Cb -0.17 -3.18 0.00 0.00 1.10 0.00 0.00 33.01 30.77 3gsw s GLN 32 CO -0.04 0.00 0.00 1.97 -0.55 0.00 0.00 175.29 176.67 3gsw n PHE 33 N 1.57 0.00 -3.86 1.67 -1.74 0.37 -4.17 117.46 111.30 3gsw n PHE 33 Ca 0.01 0.00 -0.09 0.00 -0.56 0.00 0.00 57.45 56.81 3gsw n PHE 33 Cb 0.44 0.00 -0.07 0.00 1.52 0.00 0.00 39.48 41.36 3gsw n PHE 33 CO 0.00 0.00 0.00 0.14 -0.56 0.00 0.00 176.76 176.34 3gsw s VAL 34 N -1.39 0.14 0.10 1.97 -7.23 -1.22 -0.59 120.40 112.19 3gsw s VAL 34 Ca 0.00 -1.15 -0.09 0.00 -1.81 0.00 0.00 61.98 58.93 3gsw s VAL 34 Cb 0.00 -1.28 -0.00 0.00 0.56 0.00 0.00 36.38 35.66 3gsw s VAL 34 CO 0.00 -0.64 0.20 0.00 -0.31 0.00 0.00 175.10 174.36 3gsw s ARG 35 N -3.67 0.90 -0.05 4.82 1.70 -0.33 -1.66 118.95 120.66 3gsw s ARG 35 Ca 0.03 -1.00 -0.02 0.00 -0.47 0.00 0.00 55.73 54.27 3gsw s ARG 35 Cb 0.04 0.35 0.03 0.00 -0.57 0.00 0.00 34.95 34.80 3gsw s ARG 35 CO -0.10 -0.29 0.10 0.12 -1.08 0.00 0.00 175.30 174.05 3gsw s PHE 36 N -3.88 -0.09 -0.16 5.89 5.36 -0.37 -0.39 117.98 124.33 3gsw s PHE 36 Ca 0.07 0.35 -0.00 0.00 -0.96 0.00 0.00 56.93 56.39 3gsw s PHE 36 Cb 0.05 -0.13 0.04 0.00 -0.34 0.00 0.00 43.02 42.64 3gsw s PHE 36 CO -0.09 -0.13 -0.05 0.34 -1.46 0.00 0.00 175.22 173.82 3gsw s ASP 37 N 1.06 2.83 0.61 6.13 -1.08 -1.26 -0.88 116.67 124.08 3gsw s ASP 37 Ca -0.08 -0.66 0.30 0.00 -0.52 0.00 0.00 52.55 51.59 3gsw s ASP 37 Cb -0.11 -0.92 1.65 0.00 -1.46 0.00 0.00 42.92 42.08 3gsw s ASP 37 CO -0.05 -0.18 2.01 0.77 0.52 0.00 0.00 175.17 178.25 3gsw h SER 38 N 8.12 0.00 -0.23 -0.34 4.64 -1.43 0.19 113.55 124.49 3gsw h SER 38 Ca -0.24 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.08 3gsw h SER 38 Cb 1.11 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.20 3gsw h SER 38 CO 0.40 0.00 0.00 0.47 -0.87 0.00 0.00 176.83 176.83 3gsw n ASP 39 N -3.53 2.81 -4.88 4.97 9.92 -1.26 -4.93 116.55 119.65 3gsw n ASP 39 Ca 0.03 -1.90 -0.30 0.00 -0.53 0.00 0.00 54.79 52.09 3gsw n ASP 39 Cb 0.43 -0.14 0.00 0.00 -0.64 0.00 0.00 41.12 40.77 3gsw n ASP 39 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3gsw s ALA 40 N -1.71 3.22 0.23 2.24 0.00 0.05 -5.00 121.76 120.79 3gsw s ALA 40 Ca 0.35 -0.25 0.01 0.00 0.00 0.00 0.00 51.96 52.06 3gsw s ALA 40 Cb 0.21 -2.88 0.23 0.00 0.00 0.00 0.00 23.12 20.68 3gsw s ALA 40 CO 0.30 -0.54 1.58 0.00 0.00 0.00 0.00 175.76 177.09 3gsw h ALA 41 N -0.08 0.85 -0.20 0.00 0.00 -1.92 -3.33 119.26 114.58 3gsw h ALA 41 Ca -0.45 -0.48 -0.11 0.00 0.00 0.00 0.00 54.91 53.87 3gsw h ALA 41 Cb 1.20 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 3gsw h ALA 41 CO 0.62 0.67 -0.34 0.66 0.00 0.00 0.00 179.25 180.86 3gsw h SER 42 N 0.34 0.43 -3.17 0.00 4.64 -1.94 -3.46 113.55 110.38 3gsw h SER 42 Ca 0.02 -0.16 -0.35 0.00 -0.47 0.00 0.00 61.79 60.82 3gsw h SER 42 Cb 0.99 -0.12 -0.03 0.00 -0.31 0.00 0.00 62.40 62.94 3gsw h SER 42 CO 0.09 0.74 -0.44 0.00 -0.87 0.00 0.00 176.83 176.35 3gsw n GLN 43 N -4.07 -1.87 -4.26 4.77 1.13 -1.25 -4.98 117.38 106.84 3gsw n GLN 43 Ca -0.01 0.86 -0.21 0.00 -1.94 0.00 0.00 57.00 55.70 3gsw n GLN 43 Cb 0.45 -5.47 -0.12 0.00 0.11 0.00 0.00 30.24 25.21 3gsw n GLN 43 CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 3gsw s ARG 44 N -4.92 1.07 0.15 -1.09 1.81 -1.26 -5.02 118.95 109.69 3gsw s ARG 44 Ca 0.00 -1.20 -0.31 0.00 -1.72 0.00 0.00 55.73 52.50 3gsw s ARG 44 Cb 0.00 -1.14 -0.11 0.00 -0.45 0.00 0.00 34.95 33.25 3gsw s ARG 44 CO 0.00 0.24 1.72 1.41 -0.68 0.00 0.00 175.30 177.99 3gsw s MET 45 N -2.28 4.16 0.02 3.54 -2.45 -1.26 -4.71 119.30 116.31 3gsw s MET 45 Ca 0.08 2.52 0.04 0.00 -1.25 0.00 0.00 55.69 57.08 3gsw s MET 45 Cb -0.08 -3.32 -0.03 0.00 1.25 0.00 0.00 34.83 32.65 3gsw s MET 45 CO 0.04 -0.75 -0.10 -1.21 1.05 0.00 0.00 175.02 174.05 3gsw s GLU 46 N 1.86 2.41 0.35 4.11 2.02 0.47 -4.90 118.70 125.02 3gsw s GLU 46 Ca 0.76 -0.80 -0.27 0.00 0.02 0.00 0.00 54.97 54.67 3gsw s GLU 46 Cb -0.46 -2.41 -0.09 0.00 0.10 0.00 0.00 34.13 31.27 3gsw s GLU 46 CO 0.33 0.58 1.16 -1.25 0.02 0.00 0.00 175.26 176.10 3gsw s PRO 47 N -1.45 4.31 0.00 0.39 0.04 -1.26 -1.19 135.00 135.84 3gsw s PRO 47 Ca 0.17 1.86 0.00 0.00 0.04 0.00 0.00 61.00 63.07 3gsw s PRO 47 Cb -0.11 -2.90 0.00 0.00 0.04 0.00 0.00 34.50 31.53 3gsw s PRO 47 CO 0.07 -0.10 0.67 0.54 0.04 0.00 0.00 177.00 178.22 3gsw n ARG 48 N 0.56 1.15 -3.81 4.56 5.12 0.24 -4.85 116.66 119.63 3gsw n ARG 48 Ca 0.02 -0.87 -0.13 0.00 -1.93 0.00 0.00 57.85 54.94 3gsw n ARG 48 Cb 0.45 -0.73 -0.14 0.00 -1.16 0.00 0.00 32.46 30.88 3gsw n ARG 48 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3gsw s ALA 49 N -0.40 -0.21 0.30 7.54 0.00 -1.23 -4.67 121.76 123.08 3gsw s ALA 49 Ca 0.00 0.36 0.06 0.00 0.00 0.00 0.00 51.96 52.37 3gsw s ALA 49 Cb 0.00 -0.23 0.75 0.00 0.00 0.00 0.00 23.12 23.64 3gsw s ALA 49 CO 0.00 -0.07 1.75 -1.00 0.00 0.00 0.00 175.76 176.44 3gsw h PRO 50 N 6.39 0.64 0.00 0.00 0.13 -1.94 -2.64 132.00 134.58 3gsw h PRO 50 Ca -0.31 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.79 3gsw h PRO 50 Cb 1.18 -0.14 0.00 0.00 0.13 0.00 0.00 31.00 32.17 3gsw h PRO 50 CO 0.45 0.43 0.00 0.11 -0.23 0.00 0.00 178.00 178.75 3gsw h TRP 51 N 0.66 0.00 0.00 1.56 5.08 -1.97 -2.45 115.95 118.83 3gsw h TRP 51 Ca 0.58 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.55 3gsw h TRP 51 Cb 0.96 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.12 3gsw h TRP 51 CO -0.03 0.00 -0.23 0.97 -1.28 0.00 0.00 178.44 177.87 3gsw h ILE 52 N 0.00 0.00 0.00 0.12 6.09 -1.81 -3.31 117.51 118.61 3gsw h ILE 52 Ca 0.00 -0.87 0.00 0.00 -1.37 0.00 0.00 64.86 62.62 3gsw h ILE 52 Cb 0.45 1.75 0.00 0.00 0.47 0.00 0.00 36.82 39.49 3gsw h ILE 52 CO 0.00 0.00 0.00 -0.33 -3.07 0.00 0.00 178.15 174.75 3gsw h GLU 53 N 0.00 0.00 -0.44 2.19 5.08 -1.54 -1.68 114.58 118.19 3gsw h GLU 53 Ca 0.00 0.00 0.11 0.00 -1.00 0.00 0.00 59.36 58.47 3gsw h GLU 53 Cb 0.93 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.16 3gsw h GLU 53 CO 0.00 0.00 0.31 1.96 -1.00 0.00 0.00 179.01 180.28 3gsw h GLN 54 N 0.00 0.07 -6.88 2.33 4.20 -1.73 -3.43 115.11 109.67 3gsw h GLN 54 Ca 0.00 -0.00 -0.52 0.00 0.06 0.00 0.00 58.65 58.18 3gsw h GLN 54 Cb 0.30 -0.02 0.06 0.00 0.30 0.00 0.00 27.48 28.13 3gsw h GLN 54 CO 0.00 0.05 0.63 -1.21 -0.67 0.00 0.00 178.83 177.63 3gsw s GLU 55 N -5.09 4.34 0.85 1.46 0.41 -0.64 -5.02 118.70 115.02 3gsw s GLU 55 Ca -0.05 2.20 -0.10 0.00 -0.41 0.00 0.00 54.97 56.60 3gsw s GLU 55 Cb 0.19 -3.05 0.16 0.00 -1.78 0.00 0.00 34.13 29.64 3gsw s GLU 55 CO 0.72 -0.19 1.18 0.20 -0.49 0.00 0.00 175.26 176.68 3gsw s GLY 56 N -0.52 1.76 0.51 -1.39 0.00 -1.26 -4.87 107.32 101.54 3gsw s GLY 56 Ca 0.49 -1.31 0.18 0.00 0.00 0.00 0.00 44.72 44.08 3gsw s GLY 56 CO 0.52 -0.65 2.09 -0.56 0.00 0.00 0.00 173.10 174.50 3gsw h PRO 57 N -1.16 0.07 -0.64 2.90 0.13 -1.98 -1.23 132.00 130.09 3gsw h PRO 57 Ca -0.42 -0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.62 3gsw h PRO 57 Cb 1.26 -0.02 -0.02 0.00 0.13 0.00 0.00 31.00 32.35 3gsw h PRO 57 CO 0.43 0.05 0.05 1.05 -0.23 0.00 0.00 178.00 179.34 3gsw h GLU 58 N 0.07 1.09 0.58 0.86 9.09 -1.99 0.50 114.58 124.78 3gsw h GLU 58 Ca 0.10 -0.32 -0.03 0.00 0.05 0.00 0.00 59.36 59.16 3gsw h GLU 58 Cb 0.32 -0.11 0.01 0.00 -1.65 0.00 0.00 28.75 27.31 3gsw h GLU 58 CO -0.01 1.03 -0.28 -0.92 0.05 0.00 0.00 179.01 178.88 3gsw h TYR 59 N 1.00 -0.72 -0.86 2.06 3.20 -1.59 -1.79 116.97 118.27 3gsw h TYR 59 Ca 0.19 -0.02 -0.02 0.00 3.14 0.00 0.00 58.73 62.02 3gsw h TYR 59 Cb 0.51 0.24 -0.04 0.00 1.54 0.00 0.00 36.73 38.98 3gsw h TYR 59 CO 0.04 -0.45 0.46 -1.49 -1.64 0.00 0.00 178.16 175.08 3gsw h TRP 60 N -0.78 1.18 -0.61 -3.82 4.06 -1.33 0.11 115.95 114.77 3gsw h TRP 60 Ca -0.08 -0.03 -0.02 0.00 2.06 0.00 0.00 58.89 60.82 3gsw h TRP 60 Cb 0.60 -0.38 -0.03 0.00 -1.00 0.00 0.00 29.16 28.35 3gsw h TRP 60 CO -0.03 0.83 0.31 -0.44 -3.56 0.00 0.00 178.44 175.54 3gsw h ASP 61 N 1.20 0.78 -0.21 -3.49 3.45 -0.89 -1.36 116.42 115.90 3gsw h ASP 61 Ca 0.30 -0.11 -0.03 0.00 0.43 0.00 0.00 57.03 57.62 3gsw h ASP 61 Cb 0.04 -0.20 -0.01 0.00 -0.56 0.00 0.00 39.33 38.61 3gsw h ASP 61 CO -0.05 0.67 0.01 1.23 -1.57 0.00 0.00 179.24 179.53 3gsw h GLY 62 N 0.83 0.40 1.38 2.75 0.00 -0.57 -1.37 103.07 106.49 3gsw h GLY 62 Ca 0.21 -0.29 -0.08 0.00 0.00 0.00 0.00 47.33 47.17 3gsw h GLY 62 CO -0.03 0.27 -0.04 0.83 0.00 0.00 0.00 176.54 177.56 3gsw h GLU 63 N 0.14 0.75 -0.06 4.80 4.39 -0.97 -1.06 114.58 122.58 3gsw h GLU 63 Ca 0.06 -0.21 -0.00 0.00 0.34 0.00 0.00 59.36 59.54 3gsw h GLU 63 Cb 0.38 -0.08 -0.00 0.00 -0.10 0.00 0.00 28.75 28.95 3gsw h GLU 63 CO 0.01 0.79 0.02 1.15 -1.16 0.00 0.00 179.01 179.82 3gsw h THR 64 N 0.69 1.15 -0.22 1.13 2.02 -1.20 0.58 112.91 117.06 3gsw h THR 64 Ca 0.13 -0.44 0.03 0.00 0.77 0.00 0.00 66.41 66.90 3gsw h THR 64 Cb 0.49 1.33 -0.03 0.00 -1.74 0.00 0.00 68.15 68.20 3gsw h THR 64 CO 0.03 0.12 0.03 -0.09 0.37 0.00 0.00 175.52 175.98 3gsw h ARG 65 N -0.07 0.11 -0.50 6.66 2.43 -1.04 -0.74 114.38 121.22 3gsw h ARG 65 Ca 0.02 -0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.17 3gsw h ARG 65 Cb 0.18 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.68 3gsw h ARG 65 CO -0.00 0.07 0.25 0.87 -1.51 0.00 0.00 179.97 179.65 3gsw h LYS 66 N 0.11 0.72 -0.12 0.20 1.57 -1.18 -1.94 116.57 115.93 3gsw h LYS 66 Ca 0.10 -0.10 -0.13 0.00 -1.87 0.00 0.00 60.65 58.65 3gsw h LYS 66 Cb 0.11 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.28 3gsw h LYS 66 CO -0.15 0.59 -0.51 -0.24 -0.57 0.00 0.00 179.45 178.57 3gsw h VAL 67 N 0.67 1.34 -0.67 0.50 3.04 -0.62 0.78 116.25 121.29 3gsw h VAL 67 Ca 0.17 -1.76 -0.08 0.00 -1.01 0.00 0.00 66.70 64.03 3gsw h VAL 67 Cb 0.10 1.81 -0.03 0.00 -2.01 0.00 0.00 31.29 31.16 3gsw h VAL 67 CO -0.02 0.53 0.12 0.11 -1.01 0.00 0.00 177.57 177.30 3gsw h LYS 68 N 0.26 1.10 -0.57 4.17 1.57 -1.05 -1.18 116.57 120.87 3gsw h LYS 68 Ca 0.01 -0.29 -0.10 0.00 -1.87 0.00 0.00 60.65 58.40 3gsw h LYS 68 Cb 0.99 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 33.15 3gsw h LYS 68 CO 0.08 1.00 -0.05 0.00 -0.57 0.00 0.00 179.45 179.91 3gsw h ALA 69 N 1.09 0.83 -0.52 3.86 0.00 -0.84 -1.89 119.26 121.79 3gsw h ALA 69 Ca 0.21 -0.33 0.07 0.00 0.00 0.00 0.00 54.91 54.86 3gsw h ALA 69 Cb 0.42 -0.21 -0.06 0.00 0.00 0.00 0.00 17.79 17.95 3gsw h ALA 69 CO 0.01 0.66 0.20 0.45 0.00 0.00 0.00 179.25 180.57 3gsw h HIS 70 N 0.92 0.35 -0.71 0.00 3.86 -0.68 -0.69 115.15 118.21 3gsw h HIS 70 Ca 0.16 0.03 0.01 0.00 -1.16 0.00 0.00 60.37 59.40 3gsw h HIS 70 Cb 0.61 -0.08 -0.03 0.00 1.06 0.00 0.00 27.41 28.96 3gsw h HIS 70 CO 0.04 0.12 0.47 0.66 0.86 0.00 0.00 177.93 180.07 3gsw h SER 71 N 0.39 0.81 -0.33 2.45 4.64 -0.73 -1.51 113.55 119.27 3gsw h SER 71 Ca 0.25 -0.02 -0.13 0.00 -0.47 0.00 0.00 61.79 61.42 3gsw h SER 71 Cb 0.27 -0.20 -0.01 0.00 -0.31 0.00 0.00 62.40 62.14 3gsw h SER 71 CO -0.25 0.59 -0.27 1.56 -0.87 0.00 0.00 176.83 177.59 3gsw h GLN 72 N 0.96 0.84 -0.41 4.77 1.08 -1.03 -1.68 115.11 119.64 3gsw h GLN 72 Ca 0.26 -0.37 0.05 0.00 -1.45 0.00 0.00 58.65 57.14 3gsw h GLN 72 Cb -0.11 -0.02 -0.05 0.00 -0.05 0.00 0.00 27.48 27.25 3gsw h GLN 72 CO -0.06 1.01 0.13 1.15 -0.95 0.00 0.00 178.83 180.11 3gsw h THR 73 N 0.72 0.86 -0.07 -0.54 2.02 -0.68 -1.74 112.91 113.48 3gsw h THR 73 Ca 0.09 -0.10 -0.09 0.00 0.77 0.00 0.00 66.41 67.07 3gsw h THR 73 Cb 0.81 0.55 -0.01 0.00 -1.74 0.00 0.00 68.15 67.76 3gsw h THR 73 CO 0.07 0.05 -0.38 0.45 0.37 0.00 0.00 175.52 176.08 3gsw h HIS 74 N 0.29 0.17 -0.10 3.16 3.86 -1.09 -0.39 115.15 121.05 3gsw h HIS 74 Ca 0.19 -0.04 0.01 0.00 -1.16 0.00 0.00 60.37 59.37 3gsw h HIS 74 Cb 0.18 -0.04 -0.01 0.00 1.06 0.00 0.00 27.41 28.60 3gsw h HIS 74 CO -0.16 0.51 0.01 -0.09 0.86 0.00 0.00 177.93 179.06 3gsw h ARG 75 N 0.13 0.05 -0.37 2.45 2.43 -0.89 -1.42 114.38 116.74 3gsw h ARG 75 Ca 0.01 -0.00 -0.09 0.00 -0.81 0.00 0.00 59.98 59.09 3gsw h ARG 75 Cb 0.73 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.25 3gsw h ARG 75 CO 0.05 0.03 -0.16 -0.39 -1.51 0.00 0.00 179.97 178.00 3gsw h VAL 76 N 0.05 1.26 -0.63 0.20 -1.51 -0.98 -2.90 116.25 111.73 3gsw h VAL 76 Ca 0.04 -1.19 0.03 0.00 -1.23 0.00 0.00 66.70 64.36 3gsw h VAL 76 Cb 0.04 1.15 -0.04 0.00 -2.13 0.00 0.00 31.29 30.31 3gsw h VAL 76 CO -0.07 0.40 0.38 0.44 -1.23 0.00 0.00 177.57 177.49 3gsw h ASP 77 N 0.60 0.61 -0.88 4.19 3.32 -0.77 0.23 116.42 123.72 3gsw h ASP 77 Ca 0.10 0.01 0.11 0.00 0.02 0.00 0.00 57.03 57.26 3gsw h ASP 77 Cb 0.61 -0.12 -0.08 0.00 0.22 0.00 0.00 39.33 39.96 3gsw h ASP 77 CO 0.04 0.42 0.51 -0.07 -1.72 0.00 0.00 179.24 178.43 3gsw h LEU 78 N 0.74 0.73 -0.28 1.55 3.38 -1.06 0.14 115.31 120.52 3gsw h LEU 78 Ca 0.26 0.05 -0.05 0.00 0.09 0.00 0.00 57.88 58.23 3gsw h LEU 78 Cb 0.05 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 3gsw h LEU 78 CO -0.12 0.40 -0.03 1.23 0.09 0.00 0.00 178.44 180.01 3gsw h GLY 79 N 0.83 0.56 0.80 0.83 0.00 -1.27 -2.29 103.07 102.54 3gsw h GLY 79 Ca 0.43 -0.43 0.03 0.00 0.00 0.00 0.00 47.33 47.37 3gsw h GLY 79 CO -0.27 0.40 0.26 -0.84 0.00 0.00 0.00 176.54 176.09 3gsw h THR 80 N 0.29 1.00 -0.16 4.70 2.02 -0.23 -2.51 112.91 118.01 3gsw h THR 80 Ca 0.08 -0.18 -0.19 0.00 0.77 0.00 0.00 66.41 66.89 3gsw h THR 80 Cb 0.48 0.44 -0.00 0.00 -1.74 0.00 0.00 68.15 67.33 3gsw h THR 80 CO 0.02 0.09 -0.66 -0.07 0.37 0.00 0.00 175.52 175.28 3gsw h LEU 81 N 0.51 0.70 -0.86 2.58 3.38 -0.77 -1.30 115.31 119.55 3gsw h LEU 81 Ca 0.20 -0.42 0.08 0.00 0.09 0.00 0.00 57.88 57.84 3gsw h LEU 81 Cb 0.08 -0.20 -0.07 0.00 0.09 0.00 0.00 40.66 40.55 3gsw h LEU 81 CO -0.12 1.17 0.52 -0.09 0.09 0.00 0.00 178.44 180.00 3gsw h ARG 82 N 0.44 0.87 0.13 1.13 2.43 -1.25 -0.77 114.38 117.36 3gsw h ARG 82 Ca -0.02 -0.05 -0.01 0.00 -0.81 0.00 0.00 59.98 59.09 3gsw h ARG 82 Cb 1.24 -0.20 0.00 0.00 -0.42 0.00 0.00 29.97 30.59 3gsw h ARG 82 CO 0.13 0.58 -0.06 0.78 -1.51 0.00 0.00 179.97 179.88 3gsw h GLY 83 N 0.90 -0.19 0.89 2.80 0.00 -1.11 0.13 103.07 106.49 3gsw h GLY 83 Ca 0.40 0.07 0.06 0.00 0.00 0.00 0.00 47.33 47.86 3gsw h GLY 83 CO -0.21 -0.07 0.58 -0.97 0.00 0.00 0.00 176.54 175.86 3gsw h TYR 84 N -0.36 1.02 -0.44 5.60 0.05 -0.89 -1.82 116.97 120.13 3gsw h TYR 84 Ca -0.02 0.03 0.00 0.00 0.05 0.00 0.00 58.73 58.79 3gsw h TYR 84 Cb 0.29 -0.34 0.00 0.00 1.01 0.00 0.00 36.73 37.69 3gsw h TYR 84 CO -0.01 0.54 0.00 0.66 -1.05 0.00 0.00 178.16 178.30 3gsw n TYR 85 N -4.48 0.58 -3.87 4.88 4.01 -0.33 -4.93 117.16 113.02 3gsw n TYR 85 Ca 0.13 -0.29 -0.25 0.00 -0.16 0.00 0.00 57.90 57.33 3gsw n TYR 85 Cb 0.19 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.22 3gsw n TYR 85 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 3gsw n ASN 86 N 1.04 -1.33 -4.97 7.72 5.15 -0.68 -4.98 115.26 117.20 3gsw n ASN 86 Ca 0.18 -0.91 -0.21 0.00 -0.60 0.00 0.00 54.58 53.04 3gsw n ASN 86 Cb 0.47 -3.50 -0.02 0.00 -0.53 0.00 0.00 39.78 36.20 3gsw n ASN 86 CO 0.00 0.00 0.00 -1.10 1.40 0.00 0.00 177.26 177.56 3gsw s GLN 87 N -6.37 3.36 0.64 1.20 -0.21 0.36 -5.03 119.66 113.61 3gsw s GLN 87 Ca 0.13 -0.82 -0.07 0.00 0.02 0.00 0.00 55.36 54.62 3gsw s GLN 87 Cb -0.07 -2.86 0.02 0.00 1.00 0.00 0.00 33.01 31.10 3gsw s GLN 87 CO 0.86 0.37 0.96 -1.54 -2.12 0.00 0.00 175.29 173.82 3gsw s SER 88 N -4.01 5.38 0.00 5.90 1.04 -1.26 -4.72 113.70 116.03 3gsw s SER 88 Ca 0.36 0.73 0.23 0.00 0.48 0.00 0.00 55.95 57.75 3gsw s SER 88 Cb -0.09 -1.61 1.05 0.00 0.10 0.00 0.00 66.02 65.47 3gsw s SER 88 CO 0.29 -1.24 1.74 -0.62 0.98 0.00 0.00 173.24 174.39 3gsw n GLU 89 N -2.74 0.13 0.07 4.02 -0.58 -1.26 -4.04 120.64 116.24 3gsw n GLU 89 Ca 0.06 0.09 -0.13 0.00 -0.42 0.00 0.00 57.16 56.76 3gsw n GLU 89 Cb 0.58 -1.50 -0.04 0.00 -0.57 0.00 0.00 31.44 29.91 3gsw n GLU 89 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3gsw h ALA 90 N 2.91 0.37 -2.48 0.62 0.00 -1.95 -3.44 119.26 115.29 3gsw h ALA 90 Ca 0.00 -0.71 -0.53 0.00 0.00 0.00 0.00 54.91 53.67 3gsw h ALA 90 Cb 0.32 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 3gsw h ALA 90 CO 0.00 0.82 -0.19 0.20 0.00 0.00 0.00 179.25 180.08 3gsw s GLY 91 N -4.41 1.93 0.14 0.00 0.00 -1.26 -4.71 107.32 99.01 3gsw s GLY 91 Ca -0.06 -0.57 -0.27 0.00 0.00 0.00 0.00 44.72 43.83 3gsw s GLY 91 CO 0.87 -0.47 0.83 -0.45 0.00 0.00 0.00 173.10 173.88 3gsw s SER 92 N -3.00 7.41 0.23 1.64 0.15 -1.26 -4.74 113.70 114.13 3gsw s SER 92 Ca 0.43 1.68 0.03 0.00 0.70 0.00 0.00 55.95 58.78 3gsw s SER 92 Cb -0.11 -2.53 -0.05 0.00 -1.71 0.00 0.00 66.02 61.62 3gsw s SER 92 CO 0.28 0.11 0.03 -1.00 1.20 0.00 0.00 173.24 173.86 3gsw s HIS 93 N -0.71 1.49 -0.02 3.44 3.76 -1.26 -4.95 115.29 117.04 3gsw s HIS 93 Ca 0.39 -1.02 0.04 0.00 -0.15 0.00 0.00 55.06 54.32 3gsw s HIS 93 Cb -0.23 -0.87 -0.00 0.00 1.11 0.00 0.00 32.58 32.58 3gsw s HIS 93 CO 0.27 -0.16 -0.12 0.99 -0.85 0.00 0.00 174.74 174.87 3gsw s THR 94 N -3.56 1.02 0.00 1.30 2.01 -1.26 -1.41 115.64 113.74 3gsw s THR 94 Ca 0.30 -0.52 0.08 0.00 0.31 0.00 0.00 61.69 61.86 3gsw s THR 94 Cb 0.06 -0.87 -0.02 0.00 0.01 0.00 0.00 72.50 71.68 3gsw s THR 94 CO 0.09 0.30 -0.24 0.68 -0.69 0.00 0.00 174.62 174.76 3gsw s VAL 95 N -0.06 2.26 0.02 3.82 -7.23 -0.30 -0.64 120.40 118.26 3gsw s VAL 95 Ca 0.00 -1.16 0.05 0.00 -1.81 0.00 0.00 61.98 59.06 3gsw s VAL 95 Cb -0.08 -1.84 -0.02 0.00 0.56 0.00 0.00 36.38 35.01 3gsw s VAL 95 CO 0.00 0.50 -0.14 -1.10 -0.31 0.00 0.00 175.10 174.05 3gsw s GLN 96 N -0.89 1.01 -0.01 4.82 -0.21 -0.35 -1.14 119.66 122.89 3gsw s GLN 96 Ca 0.11 -0.64 0.02 0.00 0.02 0.00 0.00 55.36 54.87 3gsw s GLN 96 Cb -0.10 -1.00 -0.00 0.00 1.00 0.00 0.00 33.01 32.91 3gsw s GLN 96 CO 0.01 0.26 -0.06 0.50 -2.12 0.00 0.00 175.29 173.88 3gsw s ARG 97 N -0.77 0.50 -0.02 2.91 3.52 -0.63 -0.59 118.95 123.88 3gsw s ARG 97 Ca 0.03 -0.20 0.03 0.00 -0.13 0.00 0.00 55.73 55.46 3gsw s ARG 97 Cb -0.07 -0.49 -0.00 0.00 -1.56 0.00 0.00 34.95 32.83 3gsw s ARG 97 CO 0.00 0.11 -0.10 1.41 -0.81 0.00 0.00 175.30 175.91 3gsw s MET 98 N -0.05 0.99 0.16 5.12 -2.45 -0.47 -0.65 119.30 121.96 3gsw s MET 98 Ca 0.01 -0.36 -0.09 0.00 -1.25 0.00 0.00 55.69 54.00 3gsw s MET 98 Cb -0.03 -0.93 -0.01 0.00 1.25 0.00 0.00 34.83 35.11 3gsw s MET 98 CO -0.00 0.17 0.28 1.52 1.05 0.00 0.00 175.02 178.04 3gsw s TYR 99 N 0.02 0.39 -5.00 4.11 -0.85 -0.90 -0.81 117.35 114.31 3gsw s TYR 99 Ca -0.00 -0.76 0.00 0.00 -0.52 0.00 0.00 57.07 55.79 3gsw s TYR 99 Cb -0.07 -0.06 0.00 0.00 0.38 0.00 0.00 41.96 42.21 3gsw s TYR 99 CO 0.00 -0.72 0.00 0.41 -1.52 0.00 0.00 175.55 173.72 3gsw n GLY 100 N -0.21 -0.85 3.10 5.49 0.00 -0.90 -1.02 105.19 110.79 3gsw n GLY 100 Ca -0.07 -1.46 -0.08 0.00 0.00 0.00 0.00 46.02 44.41 3gsw n GLY 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gsw s ASP 102 N -2.62 3.35 -0.00 0.00 1.01 0.05 -1.06 116.67 117.40 3gsw s ASP 102 Ca 0.02 -0.46 0.02 0.00 0.71 0.00 0.00 52.55 52.84 3gsw s ASP 102 Cb 0.04 -0.44 -0.04 0.00 1.01 0.00 0.00 42.92 43.49 3gsw s ASP 102 CO -0.08 0.29 -0.01 0.68 0.21 0.00 0.00 175.17 176.26 3gsw s VAL 103 N -0.74 4.08 0.00 -1.27 -7.23 0.34 -0.65 120.40 114.93 3gsw s VAL 103 Ca 0.11 -0.63 0.00 0.00 -1.81 0.00 0.00 61.98 59.66 3gsw s VAL 103 Cb -0.10 -2.81 0.00 0.00 0.56 0.00 0.00 36.38 34.02 3gsw s VAL 103 CO 0.01 0.38 0.00 0.61 -0.31 0.00 0.00 175.10 175.79 3gsw n GLY 104 N 1.41 0.32 0.26 2.32 0.00 -0.42 -1.64 105.19 107.45 3gsw n GLY 104 Ca -0.15 -1.87 0.12 0.00 0.00 0.00 0.00 46.02 44.13 3gsw n GLY 104 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3gsw h SER 105 N 0.00 0.00 -0.10 1.61 4.64 -1.89 -0.61 113.55 117.20 3gsw h SER 105 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3gsw h SER 105 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3gsw h SER 105 CO 0.00 0.13 0.00 -0.90 -0.87 0.00 0.00 176.83 175.19 3gsw n ASP 106 N -3.72 1.17 -0.31 4.97 3.85 -1.26 -4.92 116.55 116.34 3gsw n ASP 106 Ca -0.02 -1.57 -0.04 0.00 -0.71 0.00 0.00 54.79 52.45 3gsw n ASP 106 Cb 0.24 -0.06 -0.02 0.00 -1.35 0.00 0.00 41.12 39.93 3gsw n ASP 106 CO 0.00 0.00 0.00 0.79 -1.01 0.00 0.00 177.20 176.98 3gsw n TRP 107 N -0.02 0.00 -3.89 2.11 7.02 -0.24 -5.02 117.44 117.40 3gsw n TRP 107 Ca 0.17 0.00 -0.21 0.00 -1.02 0.00 0.00 57.50 56.43 3gsw n TRP 107 Cb 0.26 -1.27 -0.04 0.00 -2.42 0.00 0.00 31.31 27.84 3gsw n TRP 107 CO 0.00 0.00 0.00 1.03 -2.02 0.00 0.00 177.69 176.70 3gsw s ARG 108 N -1.71 2.71 0.09 -0.99 0.52 -1.26 -4.80 118.95 113.51 3gsw s ARG 108 Ca 0.00 -1.29 -0.36 0.00 -0.52 0.00 0.00 55.73 53.56 3gsw s ARG 108 Cb 0.00 -2.45 -0.18 0.00 0.52 0.00 0.00 34.95 32.84 3gsw s ARG 108 CO 0.00 0.14 1.12 0.34 0.02 0.00 0.00 175.30 176.93 3gsw n PHE 109 N -1.32 0.96 -0.02 -0.53 7.35 -1.26 -1.30 117.46 121.34 3gsw n PHE 109 Ca -0.03 0.83 -0.05 0.00 -0.76 0.00 0.00 57.45 57.45 3gsw n PHE 109 Cb 0.60 -2.20 -0.02 0.00 0.35 0.00 0.00 39.48 38.21 3gsw n PHE 109 CO 0.00 0.00 0.00 -0.11 -0.76 0.00 0.00 176.76 175.89 3gsw n LEU 110 N 1.98 0.40 -3.66 -2.13 0.00 0.18 -4.69 117.00 109.08 3gsw n LEU 110 Ca 0.18 0.07 -0.15 0.00 0.00 0.00 0.00 56.01 56.11 3gsw n LEU 110 Cb 0.17 -0.16 -0.07 0.00 0.00 0.00 0.00 43.42 43.36 3gsw n LEU 110 CO 0.61 0.04 0.19 -0.60 0.00 0.00 0.00 177.39 177.64 3gsw s ARG 111 N -2.09 0.84 0.15 1.96 3.52 -1.15 -4.99 118.95 117.18 3gsw s ARG 111 Ca -0.06 -0.04 0.08 0.00 -0.13 0.00 0.00 55.73 55.58 3gsw s ARG 111 Cb 0.02 0.39 -0.04 0.00 -1.56 0.00 0.00 34.95 33.76 3gsw s ARG 111 CO 0.08 -0.25 -0.18 0.20 -0.81 0.00 0.00 175.30 174.34 3gsw s GLY 112 N -1.34 1.30 0.02 8.12 0.00 -1.26 -0.77 107.32 113.39 3gsw s GLY 112 Ca -0.12 -1.41 0.01 0.00 0.00 0.00 0.00 44.72 43.20 3gsw s GLY 112 CO 0.06 -1.45 -0.04 -0.19 0.00 0.00 0.00 173.10 171.48 3gsw s TYR 113 N -1.93 0.32 -0.29 1.90 2.02 -0.11 -4.85 117.35 114.42 3gsw s TYR 113 Ca 0.13 -0.40 0.02 0.00 -0.37 0.00 0.00 57.07 56.45 3gsw s TYR 113 Cb -0.06 -0.21 0.19 0.00 -0.40 0.00 0.00 41.96 41.47 3gsw s TYR 113 CO 0.05 -0.12 0.55 -1.58 -1.57 0.00 0.00 175.55 172.89 3gsw s HIS 114 N -1.09 -1.57 0.08 2.71 2.46 -1.26 -2.12 115.29 114.50 3gsw s HIS 114 Ca -0.11 1.24 0.01 0.00 0.47 0.00 0.00 55.06 56.68 3gsw s HIS 114 Cb -0.08 0.34 -0.04 0.00 -0.13 0.00 0.00 32.58 32.68 3gsw s HIS 114 CO -0.00 -0.96 -0.06 1.14 -2.47 0.00 0.00 174.74 172.39 3gsw s GLN 115 N 2.78 0.72 0.01 2.88 -2.07 0.01 -0.63 119.66 123.36 3gsw s GLN 115 Ca 0.15 -1.20 0.01 0.00 -1.82 0.00 0.00 55.36 52.49 3gsw s GLN 115 Cb -0.13 -0.11 -0.01 0.00 -1.09 0.00 0.00 33.01 31.68 3gsw s GLN 115 CO -0.23 -0.03 -0.03 -0.47 -1.32 0.00 0.00 175.29 173.20 3gsw s TYR 116 N -3.32 0.27 0.02 9.60 5.04 0.11 -1.36 117.35 127.71 3gsw s TYR 116 Ca 0.07 -0.20 0.02 0.00 -2.44 0.00 0.00 57.07 54.52 3gsw s TYR 116 Cb 0.03 -0.18 -0.02 0.00 0.35 0.00 0.00 41.96 42.15 3gsw s TYR 116 CO -0.05 -0.05 -0.06 0.00 -1.34 0.00 0.00 175.55 174.04 3gsw s ALA 117 N -0.52 0.47 -0.10 3.97 0.00 0.24 -1.04 121.76 124.79 3gsw s ALA 117 Ca -0.04 -0.53 0.04 0.00 0.00 0.00 0.00 51.96 51.43 3gsw s ALA 117 Cb -0.04 -0.01 -0.00 0.00 0.00 0.00 0.00 23.12 23.07 3gsw s ALA 117 CO -0.00 0.02 -0.23 -0.47 0.00 0.00 0.00 175.76 175.08 3gsw s TYR 118 N -0.88 2.58 -1.74 0.00 5.04 -0.70 -1.21 117.35 120.45 3gsw s TYR 118 Ca -0.06 -1.01 -0.18 0.00 -2.44 0.00 0.00 57.07 53.38 3gsw s TYR 118 Cb -0.07 -1.72 0.17 0.00 0.35 0.00 0.00 41.96 40.69 3gsw s TYR 118 CO 0.00 -0.40 0.68 -0.25 -1.34 0.00 0.00 175.55 174.25 3gsw n ASP 119 N 3.52 -2.57 0.00 4.32 8.00 0.18 -1.88 116.55 128.12 3gsw n ASP 119 Ca -0.19 -1.09 0.00 0.00 0.71 0.00 0.00 54.79 54.22 3gsw n ASP 119 Cb 0.53 -2.40 0.00 0.00 -0.02 0.00 0.00 41.12 39.23 3gsw n ASP 119 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3gsw n GLY 120 N -1.38 0.72 3.49 0.44 0.00 -1.26 -5.02 105.19 102.17 3gsw n GLY 120 Ca 0.05 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.77 3gsw n GLY 120 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3gsw s LYS 121 N -0.01 2.05 0.09 1.61 1.02 -0.79 -5.08 119.74 118.63 3gsw s LYS 121 Ca 0.00 -1.01 -0.36 0.00 0.02 0.00 0.00 55.97 54.62 3gsw s LYS 121 Cb 0.00 -2.21 -0.17 0.00 -0.52 0.00 0.00 37.83 34.93 3gsw s LYS 121 CO 0.00 0.53 1.29 -0.25 -0.92 0.00 0.00 175.35 176.00 3gsw n ASP 122 N 1.29 1.47 0.00 2.83 10.43 -1.26 -1.72 116.55 129.59 3gsw n ASP 122 Ca -0.16 1.13 0.00 0.00 2.57 0.00 0.00 54.79 58.33 3gsw n ASP 122 Cb 0.52 -1.17 0.00 0.00 1.84 0.00 0.00 41.12 42.31 3gsw n ASP 122 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 3gsw n TYR 123 N 2.29 0.00 -3.87 1.24 9.36 -0.20 -4.69 117.16 121.28 3gsw n TYR 123 Ca 0.18 0.00 -0.11 0.00 3.32 0.00 0.00 57.90 61.29 3gsw n TYR 123 Cb 0.19 0.00 -0.12 0.00 -0.63 0.00 0.00 39.34 38.78 3gsw n TYR 123 CO 0.00 0.00 0.00 -1.50 0.22 0.00 0.00 176.86 175.58 3gsw s ILE 124 N -0.83 0.04 -0.04 2.97 2.07 -1.14 -1.53 121.20 122.74 3gsw s ILE 124 Ca 0.00 -0.35 -0.04 0.00 -1.41 0.00 0.00 60.65 58.85 3gsw s ILE 124 Cb 0.00 -0.23 0.01 0.00 0.13 0.00 0.00 42.46 42.37 3gsw s ILE 124 CO 0.00 -0.19 0.11 0.00 -1.91 0.00 0.00 174.94 172.95 3gsw s ALA 125 N -0.60 -0.26 0.13 1.50 0.00 -0.64 -0.72 121.76 121.16 3gsw s ALA 125 Ca -0.07 0.36 -0.31 0.00 0.00 0.00 0.00 51.96 51.94 3gsw s ALA 125 Cb -0.04 -0.22 -0.08 0.00 0.00 0.00 0.00 23.12 22.78 3gsw s ALA 125 CO 0.00 -0.07 1.35 -1.17 0.00 0.00 0.00 175.76 175.88 3gsw s LEU 126 N 0.22 4.38 0.92 0.00 2.96 0.19 -0.83 118.68 126.52 3gsw s LEU 126 Ca -0.01 2.31 -0.12 0.00 -0.22 0.00 0.00 54.13 56.08 3gsw s LEU 126 Cb -0.02 -3.59 0.14 0.00 0.50 0.00 0.00 46.19 43.22 3gsw s LEU 126 CO -0.01 -0.61 1.10 -0.54 -1.32 0.00 0.00 176.35 174.97 3gsw s LYS 127 N 0.86 1.07 0.29 1.98 1.02 0.02 -4.62 119.74 120.35 3gsw s LYS 127 Ca 0.62 0.67 -0.02 0.00 0.02 0.00 0.00 55.97 57.25 3gsw s LYS 127 Cb -0.36 -1.80 0.42 0.00 -0.52 0.00 0.00 37.83 35.57 3gsw s LYS 127 CO 0.32 -2.33 1.96 1.49 -0.92 0.00 0.00 175.35 175.86 3gsw h GLU 128 N -1.61 1.12 0.00 1.68 4.81 -1.89 -0.80 114.58 117.90 3gsw h GLU 128 Ca -0.51 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 58.65 3gsw h GLU 128 Cb 1.30 -0.25 0.00 0.00 0.63 0.00 0.00 28.75 30.43 3gsw h GLU 128 CO 0.57 0.74 0.00 -0.40 -0.73 0.00 0.00 179.01 179.19 3gsw n ASP 129 N -4.41 0.26 -1.77 1.04 5.68 -1.26 -4.75 116.55 111.33 3gsw n ASP 129 Ca 0.10 0.60 -0.18 0.00 -0.50 0.00 0.00 54.79 54.82 3gsw n ASP 129 Cb 0.04 -0.64 -0.03 0.00 -1.14 0.00 0.00 41.12 39.35 3gsw n ASP 129 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 3gsw n LEU 130 N -1.82 -1.62 0.00 -2.12 4.77 -0.31 -4.84 117.00 111.06 3gsw n LEU 130 Ca 0.00 0.14 0.00 0.00 -0.03 0.00 0.00 56.01 56.12 3gsw n LEU 130 Cb 0.07 -2.53 0.00 0.00 -2.33 0.00 0.00 43.42 38.63 3gsw n LEU 130 CO 0.08 -0.44 -0.37 0.54 -1.33 0.00 0.00 177.39 175.87 3gsw n ARG 131 N -2.62 1.71 -4.31 3.23 1.74 -1.26 -4.61 116.66 110.54 3gsw n ARG 131 Ca -0.20 0.00 -0.17 0.00 -0.77 0.00 0.00 57.85 56.72 3gsw n ARG 131 Cb 0.63 -0.87 -0.10 0.00 -1.02 0.00 0.00 32.46 31.10 3gsw n ARG 131 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 3gsw s SER 132 N -1.58 1.16 0.05 0.55 1.04 -1.26 -4.94 113.70 108.72 3gsw s SER 132 Ca 0.00 -1.45 0.08 0.00 0.48 0.00 0.00 55.95 55.05 3gsw s SER 132 Cb 0.00 0.28 -0.03 0.00 0.10 0.00 0.00 66.02 66.38 3gsw s SER 132 CO 0.00 -0.81 -0.21 0.26 0.98 0.00 0.00 173.24 173.46 3gsw s TRP 133 N -3.76 1.87 -0.34 5.02 0.52 -1.26 -0.80 118.94 120.18 3gsw s TRP 133 Ca 0.37 -0.38 -0.09 0.00 0.02 0.00 0.00 56.10 56.02 3gsw s TRP 133 Cb 0.07 -1.11 0.03 0.00 -1.15 0.00 0.00 33.47 31.30 3gsw s TRP 133 CO 0.15 0.10 0.15 0.99 0.02 0.00 0.00 176.95 178.36 3gsw s THR 134 N -0.82 4.21 -0.19 2.01 2.01 -0.01 -4.91 115.64 117.94 3gsw s THR 134 Ca 0.08 -0.89 -0.04 0.00 0.31 0.00 0.00 61.69 61.14 3gsw s THR 134 Cb -0.09 -3.32 -0.02 0.00 0.01 0.00 0.00 72.50 69.08 3gsw s THR 134 CO 0.02 -0.14 -0.02 0.00 -0.69 0.00 0.00 174.62 173.79 3gsw s ALA 135 N 1.50 2.99 0.19 7.40 0.00 -1.26 -1.62 121.76 130.96 3gsw s ALA 135 Ca 0.01 -0.95 0.02 0.00 0.00 0.00 0.00 51.96 51.04 3gsw s ALA 135 Cb -0.19 -1.68 0.10 0.00 0.00 0.00 0.00 23.12 21.36 3gsw s ALA 135 CO 0.05 -0.05 1.46 0.00 0.00 0.00 0.00 175.76 177.21 3gsw h ALA 136 N 7.28 0.66 -2.76 0.00 0.00 -1.55 -3.46 119.26 119.43 3gsw h ALA 136 Ca -0.35 -0.63 -0.03 0.00 0.00 0.00 0.00 54.91 53.90 3gsw h ALA 136 Cb 1.18 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 3gsw h ALA 136 CO 0.61 0.81 -0.02 -0.40 0.00 0.00 0.00 179.25 180.25 3gsw n ASP 137 N -3.78 -0.13 0.20 0.00 5.68 -1.26 -5.04 116.55 112.22 3gsw n ASP 137 Ca -0.03 -1.20 0.09 0.00 -0.50 0.00 0.00 54.79 53.15 3gsw n ASP 137 Cb 0.71 0.25 0.30 0.00 -1.14 0.00 0.00 41.12 41.25 3gsw n ASP 137 CO 0.00 0.00 0.00 0.24 -1.33 0.00 0.00 177.20 176.11 3gsw h MET 138 N 0.00 0.00 0.08 0.11 2.86 -1.99 -1.24 114.93 114.76 3gsw h MET 138 Ca -0.03 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.61 3gsw h MET 138 Cb 0.12 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.78 3gsw h MET 138 CO 0.04 0.25 -0.04 0.00 1.06 0.00 0.00 176.91 178.22 3gsw h ALA 139 N 1.75 -0.11 0.00 6.32 0.00 -1.97 -2.84 119.26 122.41 3gsw h ALA 139 Ca -0.00 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.75 3gsw h ALA 139 Cb 0.95 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.78 3gsw h ALA 139 CO 0.03 -0.43 -0.09 0.00 0.00 0.00 0.00 179.25 178.76 3gsw h ALA 140 N 0.53 1.64 -0.48 0.00 0.00 -1.80 -1.53 119.26 117.62 3gsw h ALA 140 Ca -0.01 -0.08 -0.07 0.00 0.00 0.00 0.00 54.91 54.75 3gsw h ALA 140 Cb 0.31 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 3gsw h ALA 140 CO 0.02 0.11 0.01 0.37 0.00 0.00 0.00 179.25 179.77 3gsw h GLN 141 N 0.00 0.78 -0.23 0.00 5.75 -1.09 0.17 115.11 120.49 3gsw h GLN 141 Ca -0.00 -0.20 -0.01 0.00 -0.15 0.00 0.00 58.65 58.29 3gsw h GLN 141 Cb 0.19 -0.09 -0.01 0.00 1.07 0.00 0.00 27.48 28.63 3gsw h GLN 141 CO 0.01 0.78 0.12 1.15 -2.65 0.00 0.00 178.83 178.24 3gsw h THR 142 N 0.73 1.13 -0.61 2.39 2.02 -1.05 -1.16 112.91 116.36 3gsw h THR 142 Ca 0.15 -0.37 0.01 0.00 0.77 0.00 0.00 66.41 66.96 3gsw h THR 142 Cb 0.43 0.95 -0.03 0.00 -1.74 0.00 0.00 68.15 67.76 3gsw h THR 142 CO 0.02 0.13 0.41 0.74 0.37 0.00 0.00 175.52 177.18 3gsw h THR 143 N 0.25 1.16 -0.50 3.16 2.02 -1.22 -2.01 112.91 115.77 3gsw h THR 143 Ca 0.08 -0.29 0.07 0.00 0.77 0.00 0.00 66.41 67.04 3gsw h THR 143 Cb 0.10 0.26 -0.06 0.00 -1.74 0.00 0.00 68.15 66.71 3gsw h THR 143 CO -0.01 0.15 0.16 0.50 0.37 0.00 0.00 175.52 176.70 3gsw h LYS 144 N 0.83 0.32 -0.62 6.66 3.64 -0.36 0.13 116.57 127.17 3gsw h LYS 144 Ca 0.22 -0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.58 3gsw h LYS 144 Cb -0.09 -0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 31.62 3gsw h LYS 144 CO -0.05 0.21 0.37 0.45 -2.27 0.00 0.00 179.45 178.17 3gsw h HIS 145 N 0.33 0.83 -0.16 1.91 3.86 -0.88 0.51 115.15 121.54 3gsw h HIS 145 Ca 0.24 -0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.44 3gsw h HIS 145 Cb 0.27 -0.27 -0.01 0.00 1.06 0.00 0.00 27.41 28.46 3gsw h HIS 145 CO -0.17 0.57 0.09 -0.22 0.86 0.00 0.00 177.93 179.06 3gsw h LYS 146 N 0.85 0.22 -0.19 2.45 3.64 -0.87 -2.16 116.57 120.50 3gsw h LYS 146 Ca 0.22 -0.02 -0.12 0.00 -1.27 0.00 0.00 60.65 59.46 3gsw h LYS 146 Cb -0.01 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 31.75 3gsw h LYS 146 CO -0.04 0.20 -0.39 -1.49 -2.27 0.00 0.00 179.45 175.46 3gsw h TRP 147 N 0.18 0.51 -0.29 1.91 4.06 -0.43 -1.98 115.95 119.91 3gsw h TRP 147 Ca 0.06 -0.14 -0.06 0.00 2.06 0.00 0.00 58.89 60.81 3gsw h TRP 147 Cb 0.04 -0.11 -0.01 0.00 -1.00 0.00 0.00 29.16 28.08 3gsw h TRP 147 CO -0.05 0.76 -0.05 0.93 -3.56 0.00 0.00 178.44 176.48 3gsw h GLU 148 N 0.36 0.55 -0.80 0.49 5.08 -0.85 -1.24 114.58 118.17 3gsw h GLU 148 Ca 0.04 -0.20 0.02 0.00 -1.00 0.00 0.00 59.36 58.22 3gsw h GLU 148 Cb 0.84 -0.04 -0.04 0.00 0.50 0.00 0.00 28.75 30.02 3gsw h GLU 148 CO 0.07 0.73 0.53 0.00 -1.00 0.00 0.00 179.01 179.34 3gsw h ALA 149 N 0.80 1.47 -0.19 3.43 0.00 -1.18 -2.25 119.26 121.33 3gsw h ALA 149 Ca 0.08 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3gsw h ALA 149 Cb 0.51 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.00 3gsw h ALA 149 CO 0.02 0.47 0.00 0.00 0.00 0.00 0.00 179.25 179.75 3gsw n ALA 150 N -2.41 2.50 -3.78 0.00 0.00 -0.76 -4.95 120.51 111.11 3gsw n ALA 150 Ca 0.10 -0.61 -0.24 0.00 0.00 0.00 0.00 53.44 52.68 3gsw n ALA 150 Cb 0.07 -1.04 0.03 0.00 0.00 0.00 0.00 19.45 18.50 3gsw n ALA 150 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 3gsw n HIS 151 N 0.56 -2.05 -0.13 0.00 -0.00 -0.68 -4.90 115.22 108.03 3gsw n HIS 151 Ca 0.17 0.86 -0.08 0.00 -0.00 0.00 0.00 57.72 58.67 3gsw n HIS 151 Cb 0.39 -4.25 0.07 0.00 -0.00 0.00 0.00 29.99 26.20 3gsw n HIS 151 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.34 176.62 3gsw h VAL 152 N -1.96 1.27 -0.64 1.59 2.07 -1.53 -2.96 116.25 114.08 3gsw h VAL 152 Ca -0.60 -1.27 0.04 0.00 0.82 0.00 0.00 66.70 65.69 3gsw h VAL 152 Cb 1.37 1.07 -0.05 0.00 -1.52 0.00 0.00 31.29 32.16 3gsw h VAL 152 CO 0.60 0.44 0.38 0.00 0.02 0.00 0.00 177.57 179.00 3gsw h ALA 153 N 1.04 0.85 -0.58 1.67 0.00 -1.90 -0.99 119.26 119.36 3gsw h ALA 153 Ca 0.12 0.00 0.01 0.00 0.00 0.00 0.00 54.91 55.04 3gsw h ALA 153 Cb 0.68 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.28 3gsw h ALA 153 CO 0.05 0.09 0.37 0.93 0.00 0.00 0.00 179.25 180.69 3gsw h GLU 154 N 0.72 0.73 -0.65 0.00 3.07 -1.78 0.14 114.58 116.81 3gsw h GLU 154 Ca 0.28 -0.04 -0.04 0.00 -0.50 0.00 0.00 59.36 59.05 3gsw h GLU 154 Cb 0.11 -0.17 -0.03 0.00 -0.84 0.00 0.00 28.75 27.82 3gsw h GLU 154 CO -0.14 0.49 0.26 1.96 -1.40 0.00 0.00 179.01 180.17 3gsw h GLN 155 N 0.76 0.97 -0.31 2.33 4.20 -1.31 -2.26 115.11 119.48 3gsw h GLN 155 Ca 0.22 -0.18 -0.08 0.00 0.06 0.00 0.00 58.65 58.66 3gsw h GLN 155 Cb -0.06 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 27.56 3gsw h GLN 155 CO -0.06 0.82 -0.14 -0.07 -0.67 0.00 0.00 178.83 178.71 3gsw h LEU 156 N 0.91 0.66 -0.66 1.46 3.38 -0.90 -2.60 115.31 117.56 3gsw h LEU 156 Ca 0.22 -0.40 0.07 0.00 0.09 0.00 0.00 57.88 57.86 3gsw h LEU 156 Cb 0.21 -0.18 -0.06 0.00 0.09 0.00 0.00 40.66 40.72 3gsw h LEU 156 CO -0.02 0.91 0.34 -0.09 0.09 0.00 0.00 178.44 179.67 3gsw h ARG 157 N 0.40 0.58 -0.62 1.13 2.43 -0.61 0.33 114.38 118.02 3gsw h ARG 157 Ca 0.07 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.20 3gsw h ARG 157 Cb 0.65 -0.13 -0.03 0.00 -0.42 0.00 0.00 29.97 30.04 3gsw h ARG 157 CO 0.04 0.39 0.35 0.00 -1.51 0.00 0.00 179.97 179.24 3gsw h ALA 158 N 1.38 0.79 -0.15 2.80 0.00 -1.36 -0.69 119.26 122.04 3gsw h ALA 158 Ca 0.31 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 55.10 3gsw h ALA 158 Cb 0.27 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 3gsw h ALA 158 CO -0.23 0.30 -0.01 -0.92 0.00 0.00 0.00 179.25 178.39 3gsw h TYR 159 N 0.84 0.30 -0.57 0.00 3.20 -1.02 -1.80 116.97 117.92 3gsw h TYR 159 Ca 0.22 -0.06 -0.10 0.00 3.14 0.00 0.00 58.73 61.93 3gsw h TYR 159 Cb 0.03 -0.08 -0.02 0.00 1.54 0.00 0.00 36.73 38.20 3gsw h TYR 159 CO -0.01 0.52 -0.04 -0.07 -1.64 0.00 0.00 178.16 176.91 3gsw h LEU 160 N -0.00 1.01 0.00 2.82 3.38 -0.14 0.13 115.31 122.51 3gsw h LEU 160 Ca 0.04 -0.30 0.00 0.00 0.09 0.00 0.00 57.88 57.71 3gsw h LEU 160 Cb 0.41 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.88 3gsw h LEU 160 CO 0.01 1.09 -0.46 -0.62 0.09 0.00 0.00 178.44 178.54 3gsw n GLU 161 N -4.17 0.28 0.00 1.13 1.02 -0.28 -3.86 120.64 114.76 3gsw n GLU 161 Ca 0.02 0.12 0.00 0.00 -0.02 0.00 0.00 57.16 57.28 3gsw n GLU 161 Cb 0.37 -1.71 0.00 0.00 -0.02 0.00 0.00 31.44 30.08 3gsw n GLU 161 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3gsw n GLY 162 N 1.34 0.40 0.26 0.62 0.00 -0.68 -4.68 105.19 102.45 3gsw n GLY 162 Ca 0.04 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.10 3gsw n GLY 162 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3gsw h THR 163 N 0.00 0.52 -0.05 2.61 2.02 -1.62 -1.40 112.91 114.99 3gsw h THR 163 Ca 0.00 -0.08 0.03 0.00 0.77 0.00 0.00 66.41 67.12 3gsw h THR 163 Cb 0.00 0.26 -0.03 0.00 -1.74 0.00 0.00 68.15 66.63 3gsw h THR 163 CO 0.00 0.04 -0.13 0.00 0.37 0.00 0.00 175.52 175.81 3gsw h VAL 165 N -0.19 1.29 -0.28 0.00 -1.51 -1.58 -1.11 116.25 112.86 3gsw h VAL 165 Ca 0.06 -1.69 0.04 0.00 -1.23 0.00 0.00 66.70 63.88 3gsw h VAL 165 Cb 0.28 1.59 -0.03 0.00 -2.13 0.00 0.00 31.29 30.99 3gsw h VAL 165 CO -0.16 0.55 0.06 -0.08 -1.23 0.00 0.00 177.57 176.71 3gsw h GLU 166 N 0.62 0.17 -0.04 5.19 4.81 -1.02 -0.59 114.58 123.72 3gsw h GLU 166 Ca 0.03 -0.01 -0.17 0.00 -0.13 0.00 0.00 59.36 59.08 3gsw h GLU 166 Cb 1.07 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 30.40 3gsw h GLU 166 CO 0.11 0.11 -0.73 -1.49 -0.73 0.00 0.00 179.01 176.28 3gsw h TRP 167 N 0.17 0.30 -0.13 0.92 4.06 -1.06 -1.73 115.95 118.49 3gsw h TRP 167 Ca 0.13 -0.14 0.03 0.00 2.06 0.00 0.00 58.89 60.97 3gsw h TRP 167 Cb 0.12 -0.05 -0.04 0.00 -1.00 0.00 0.00 29.16 28.20 3gsw h TRP 167 CO -0.16 0.87 -0.09 1.25 -3.56 0.00 0.00 178.44 176.76 3gsw h LEU 168 N 0.15 -0.27 -0.71 -4.49 5.85 -0.88 0.33 115.31 115.28 3gsw h LEU 168 Ca -0.02 0.06 0.06 0.00 0.84 0.00 0.00 57.88 58.82 3gsw h LEU 168 Cb 1.29 0.15 -0.06 0.00 0.37 0.00 0.00 40.66 42.41 3gsw h LEU 168 CO 0.11 -0.12 0.41 0.03 -0.34 0.00 0.00 178.44 178.54 3gsw h ARG 169 N -0.09 0.73 -0.04 1.25 3.08 -0.98 -0.13 114.38 118.20 3gsw h ARG 169 Ca 0.08 -0.04 0.01 0.00 0.07 0.00 0.00 59.98 60.10 3gsw h ARG 169 Cb 0.20 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 30.08 3gsw h ARG 169 CO -0.19 0.48 -0.03 -0.09 -1.07 0.00 0.00 179.97 179.07 3gsw h ARG 170 N 0.75 -0.04 -0.81 0.04 2.43 -0.87 -1.70 114.38 114.18 3gsw h ARG 170 Ca 0.32 0.00 0.03 0.00 -0.81 0.00 0.00 59.98 59.52 3gsw h ARG 170 Cb 0.18 0.01 -0.05 0.00 -0.42 0.00 0.00 29.97 29.69 3gsw h ARG 170 CO -0.18 -0.03 0.52 1.88 -1.51 0.00 0.00 179.97 180.66 3gsw h TYR 171 N -0.04 0.98 -0.66 2.20 0.05 -0.68 -1.20 116.97 117.62 3gsw h TYR 171 Ca 0.03 0.03 -0.04 0.00 0.05 0.00 0.00 58.73 58.80 3gsw h TYR 171 Cb 0.08 -0.32 -0.03 0.00 1.01 0.00 0.00 36.73 37.47 3gsw h TYR 171 CO -0.13 0.57 0.27 -0.07 -1.05 0.00 0.00 178.16 177.75 3gsw h LEU 172 N 1.02 0.89 0.32 3.88 3.38 -0.68 0.38 115.31 124.50 3gsw h LEU 172 Ca 0.32 -0.12 -0.02 0.00 0.09 0.00 0.00 57.88 58.16 3gsw h LEU 172 Cb -0.00 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.52 3gsw h LEU 172 CO -0.11 0.79 -0.15 -0.08 0.09 0.00 0.00 178.44 178.97 3gsw h GLU 173 N 0.95 -0.41 -0.61 1.13 4.57 -1.07 -2.30 114.58 116.83 3gsw h GLU 173 Ca 0.22 0.03 0.05 0.00 -1.18 0.00 0.00 59.36 58.48 3gsw h GLU 173 Cb 0.18 0.09 -0.04 0.00 -0.16 0.00 0.00 28.75 28.83 3gsw h GLU 173 CO -0.02 -0.08 0.40 -0.91 -1.18 0.00 0.00 179.01 177.22 3gsw h ASN 174 N -0.86 0.58 -0.59 1.04 2.35 -1.05 -1.80 115.58 115.24 3gsw h ASN 174 Ca -0.04 -0.00 -0.06 0.00 -0.55 0.00 0.00 56.30 55.64 3gsw h ASN 174 Cb 0.52 -0.13 -0.04 0.00 0.05 0.00 0.00 38.32 38.73 3gsw h ASN 174 CO 0.07 0.39 0.08 0.61 -1.65 0.00 0.00 177.43 176.93 3gsw n GLY 175 N -1.47 3.32 0.36 2.83 0.00 0.11 -4.74 105.19 105.60 3gsw n GLY 175 Ca 0.08 -0.97 0.15 0.00 0.00 0.00 0.00 46.02 45.28 3gsw n GLY 175 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 3gsw h LYS 176 N 3.38 0.26 -0.02 1.61 2.10 -0.72 0.14 116.57 123.32 3gsw h LYS 176 Ca 0.08 -0.02 0.01 0.00 -2.00 0.00 0.00 60.65 58.72 3gsw h LYS 176 Cb 2.04 -0.06 -0.00 0.00 -0.90 0.00 0.00 32.23 33.31 3gsw h LYS 176 CO 0.54 0.17 0.02 0.93 -2.00 0.00 0.00 179.45 179.11 3gsw h GLU 177 N 0.27 0.00 0.00 0.07 4.39 -1.85 -2.21 114.58 115.25 3gsw h GLU 177 Ca 0.27 0.00 -0.12 0.00 0.34 0.00 0.00 59.36 59.84 3gsw h GLU 177 Cb 0.69 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.32 3gsw h GLU 177 CO -0.06 0.00 -1.41 0.25 -1.16 0.00 0.00 179.01 176.63 3gsw n THR 178 N -4.17 0.41 0.01 1.13 -2.24 -0.64 -4.46 114.28 104.30 3gsw n THR 178 Ca -0.02 -0.11 0.07 0.00 -2.27 0.00 0.00 64.05 61.72 3gsw n THR 178 Cb 0.11 -1.51 0.48 0.00 -2.10 0.00 0.00 70.33 67.31 3gsw n THR 178 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 3gsw h LEU 179 N -0.24 0.37 -3.33 3.22 3.38 -0.84 -1.91 115.31 115.96 3gsw h LEU 179 Ca -0.19 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.78 3gsw h LEU 179 Cb 1.17 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.84 3gsw h LEU 179 CO -0.11 0.26 0.00 0.00 0.09 0.00 0.00 178.44 178.68 3gsw n GLN 180 N -4.48 3.81 -4.30 1.13 6.02 -0.83 -4.91 117.38 113.81 3gsw n GLN 180 Ca 0.04 -2.92 -0.34 0.00 -0.01 0.00 0.00 57.00 53.77 3gsw n GLN 180 Cb 0.17 -1.97 -0.11 0.00 1.02 0.00 0.00 30.24 29.35 3gsw n GLN 180 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 177.06 176.55 3gsw s ARG 181 N -2.51 3.52 -0.13 -1.09 3.52 -0.72 -5.00 118.95 116.55 3gsw s ARG 181 Ca 0.47 -0.44 -0.07 0.00 -0.13 0.00 0.00 55.73 55.56 3gsw s ARG 181 Cb 0.35 -2.94 -0.04 0.00 -1.56 0.00 0.00 34.95 30.76 3gsw s ARG 181 CO 0.15 0.40 0.14 0.95 -0.81 0.00 0.00 175.30 176.12 3gsw s THR 182 N -0.04 5.49 -0.35 4.11 -4.23 -1.26 -4.80 115.64 114.56 3gsw s THR 182 Ca 0.03 0.20 -0.07 0.00 -1.18 0.00 0.00 61.69 60.68 3gsw s THR 182 Cb -0.13 -3.40 0.05 0.00 1.34 0.00 0.00 72.50 70.36 3gsw s THR 182 CO 0.02 0.61 0.13 -1.81 -0.54 0.00 0.00 174.62 173.02 3gsw s ASP 183 N -0.91 5.35 0.44 3.99 1.01 0.08 -4.93 116.67 121.69 3gsw s ASP 183 Ca 0.14 -1.22 -0.25 0.00 0.71 0.00 0.00 52.55 51.94 3gsw s ASP 183 Cb -0.12 -1.88 -0.08 0.00 1.01 0.00 0.00 42.92 41.85 3gsw s ASP 183 CO 0.03 -0.36 1.28 0.00 0.21 0.00 0.00 175.17 176.34 3gsw s ALA 184 N 1.39 3.14 0.31 5.23 0.00 -1.26 -1.45 121.76 129.12 3gsw s ALA 184 Ca -0.01 1.18 -0.30 0.00 0.00 0.00 0.00 51.96 52.84 3gsw s ALA 184 Cb -0.20 -3.48 -0.11 0.00 0.00 0.00 0.00 23.12 19.33 3gsw s ALA 184 CO 0.02 -0.87 1.58 -1.25 0.00 0.00 0.00 175.76 175.24 3gsw s PRO 185 N -2.43 4.12 -0.34 0.00 0.04 -1.26 -4.57 135.00 130.56 3gsw s PRO 185 Ca 0.60 2.58 -0.25 0.00 0.04 0.00 0.00 61.00 63.98 3gsw s PRO 185 Cb -0.36 -3.01 0.01 0.00 0.04 0.00 0.00 34.50 31.17 3gsw s PRO 185 CO 0.46 -0.62 0.87 0.15 0.04 0.00 0.00 177.00 177.90 3gsw s LYS 186 N -0.81 3.91 0.04 4.56 1.02 -0.00 -4.83 119.74 123.62 3gsw s LYS 186 Ca 0.61 0.61 0.05 0.00 0.02 0.00 0.00 55.97 57.26 3gsw s LYS 186 Cb -0.48 -3.76 -0.04 0.00 -0.52 0.00 0.00 37.83 33.03 3gsw s LYS 186 CO 0.51 -0.81 -0.09 0.95 -0.92 0.00 0.00 175.35 174.99 3gsw s THR 187 N 3.22 3.47 0.25 2.17 -4.23 -1.26 -0.79 115.64 118.47 3gsw s THR 187 Ca 0.36 -0.97 -0.21 0.00 -1.18 0.00 0.00 61.69 59.68 3gsw s THR 187 Cb -0.13 -2.54 0.03 0.00 1.34 0.00 0.00 72.50 71.20 3gsw s THR 187 CO 0.15 0.30 0.68 -1.38 -0.54 0.00 0.00 174.62 173.83 3gsw s HIS 188 N -1.06 -0.27 -0.01 3.99 -3.43 -1.01 -4.99 115.29 108.52 3gsw s HIS 188 Ca 0.18 -0.12 0.07 0.00 -0.80 0.00 0.00 55.06 54.39 3gsw s HIS 188 Cb -0.11 0.65 -0.02 0.00 -1.43 0.00 0.00 32.58 31.68 3gsw s HIS 188 CO 0.09 -1.13 -0.21 1.41 -2.00 0.00 0.00 174.74 172.91 3gsw s MET 189 N -3.88 1.64 0.23 -0.38 1.75 -1.26 -0.34 119.30 117.06 3gsw s MET 189 Ca 0.09 -0.77 0.10 0.00 -1.25 0.00 0.00 55.69 53.85 3gsw s MET 189 Cb -0.04 -1.61 -0.04 0.00 2.84 0.00 0.00 34.83 35.97 3gsw s MET 189 CO 0.02 0.44 -0.12 0.95 -0.65 0.00 0.00 175.02 175.66 3gsw s THR 190 N -0.54 2.97 -0.05 10.11 -4.23 0.04 -4.96 115.64 118.99 3gsw s THR 190 Ca 0.08 -1.98 0.03 0.00 -1.18 0.00 0.00 61.69 58.64 3gsw s THR 190 Cb -0.08 -2.52 0.01 0.00 1.34 0.00 0.00 72.50 71.24 3gsw s THR 190 CO -0.00 -0.26 -0.13 -2.28 -0.54 0.00 0.00 174.62 171.40 3gsw s HIS 191 N -2.09 1.48 -0.05 3.99 2.46 -1.26 -0.95 115.29 118.87 3gsw s HIS 191 Ca 0.28 -0.49 -0.02 0.00 0.47 0.00 0.00 55.06 55.30 3gsw s HIS 191 Cb -0.07 -1.05 0.04 0.00 -0.13 0.00 0.00 32.58 31.37 3gsw s HIS 191 CO 0.16 -0.22 0.10 -1.01 -2.47 0.00 0.00 174.74 171.30 3gsw s HIS 192 N 0.39 -0.08 0.14 3.88 3.76 -0.28 -4.98 115.29 118.13 3gsw s HIS 192 Ca -0.10 0.36 -0.30 0.00 -0.15 0.00 0.00 55.06 54.87 3gsw s HIS 192 Cb -0.13 -0.20 -0.07 0.00 1.11 0.00 0.00 32.58 33.29 3gsw s HIS 192 CO 0.03 -0.16 1.18 0.00 -0.85 0.00 0.00 174.74 174.95 3gsw s ALA 193 N 1.39 3.41 -0.49 -1.40 0.00 -1.26 0.56 121.76 123.97 3gsw s ALA 193 Ca -0.06 0.89 0.14 0.00 0.00 0.00 0.00 51.96 52.93 3gsw s ALA 193 Cb -0.12 -3.42 -0.17 0.00 0.00 0.00 0.00 23.12 19.41 3gsw s ALA 193 CO -0.05 -0.37 0.52 1.33 0.00 0.00 0.00 175.76 177.20 3gsw n VAL 194 N 2.99 0.00 -3.84 0.00 0.24 -0.69 -4.89 118.33 112.13 3gsw n VAL 194 Ca 0.06 -0.21 -0.07 0.00 -2.04 0.00 0.00 64.34 62.08 3gsw n VAL 194 Cb 0.45 0.77 0.02 0.00 -1.47 0.00 0.00 33.84 33.62 3gsw n VAL 194 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 3gsw s SER 195 N -2.71 0.02 0.00 -1.34 1.04 -1.18 -4.96 113.70 104.57 3gsw s SER 195 Ca 0.02 -0.99 0.32 0.00 0.48 0.00 0.00 55.95 55.78 3gsw s SER 195 Cb 0.10 0.72 1.82 0.00 0.10 0.00 0.00 66.02 68.76 3gsw s SER 195 CO 0.59 -1.43 2.18 -0.90 0.98 0.00 0.00 173.24 174.66 3gsw n ASP 196 N -1.41 0.07 -0.00 7.02 5.68 -1.26 -3.58 116.55 123.07 3gsw n ASP 196 Ca -0.06 -0.91 0.00 0.00 -0.50 0.00 0.00 54.79 53.32 3gsw n ASP 196 Cb 0.60 -0.04 -0.00 0.00 -1.14 0.00 0.00 41.12 40.54 3gsw n ASP 196 CO 0.00 0.00 0.00 1.41 -1.33 0.00 0.00 177.20 177.28 3gsw n HIS 197 N -0.99 0.00 -4.14 2.11 8.25 -1.26 -4.89 115.22 114.30 3gsw n HIS 197 Ca 0.22 0.00 -0.17 0.00 -0.26 0.00 0.00 57.72 57.52 3gsw n HIS 197 Cb 0.14 0.00 -0.12 0.00 1.12 0.00 0.00 29.99 31.13 3gsw n HIS 197 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 3gsw s GLU 198 N -0.68 0.75 0.07 -0.41 8.01 -1.24 -0.52 118.70 124.68 3gsw s GLU 198 Ca 0.00 -0.91 0.02 0.00 0.01 0.00 0.00 54.97 54.09 3gsw s GLU 198 Cb 0.00 -0.68 -0.03 0.00 -4.31 0.00 0.00 34.13 29.11 3gsw s GLU 198 CO 0.00 0.15 -0.07 0.00 0.01 0.00 0.00 175.26 175.35 3gsw s ALA 199 N -1.34 0.77 -0.19 5.21 0.00 -0.31 -1.71 121.76 124.19 3gsw s ALA 199 Ca -0.04 -1.05 -0.07 0.00 0.00 0.00 0.00 51.96 50.80 3gsw s ALA 199 Cb -0.10 0.10 -0.04 0.00 0.00 0.00 0.00 23.12 23.08 3gsw s ALA 199 CO 0.02 -0.12 0.06 0.99 0.00 0.00 0.00 175.76 176.70 3gsw s THR 200 N -2.46 4.67 -0.23 0.00 2.01 0.19 -0.73 115.64 119.09 3gsw s THR 200 Ca 0.01 -0.07 -0.09 0.00 0.31 0.00 0.00 61.69 61.84 3gsw s THR 200 Cb -0.03 -3.11 -0.04 0.00 0.01 0.00 0.00 72.50 69.33 3gsw s THR 200 CO -0.02 0.44 0.12 -0.76 -0.69 0.00 0.00 174.62 173.71 3gsw s LEU 201 N 0.58 3.92 -0.16 4.42 1.43 -0.18 -1.12 118.68 127.56 3gsw s LEU 201 Ca 0.03 0.04 -0.01 0.00 -1.03 0.00 0.00 54.13 53.16 3gsw s LEU 201 Cb -0.13 -2.04 -0.01 0.00 0.03 0.00 0.00 46.19 44.04 3gsw s LEU 201 CO 0.01 0.07 -0.12 -0.60 0.23 0.00 0.00 176.35 175.95 3gsw s ARG 202 N 1.01 3.32 -0.30 1.70 3.52 -0.13 -1.36 118.95 126.71 3gsw s ARG 202 Ca 0.06 -0.69 -0.09 0.00 -0.13 0.00 0.00 55.73 54.88 3gsw s ARG 202 Cb -0.14 -2.73 -0.01 0.00 -1.56 0.00 0.00 34.95 30.51 3gsw s ARG 202 CO 0.04 0.02 0.14 0.00 -0.81 0.00 0.00 175.30 174.69 3gsw s TRP 204 N 1.61 3.44 -0.16 0.00 0.52 0.54 -1.77 118.94 123.12 3gsw s TRP 204 Ca 0.05 0.40 0.00 0.00 0.02 0.00 0.00 56.10 56.57 3gsw s TRP 204 Cb -0.17 -1.87 0.03 0.00 -1.15 0.00 0.00 33.47 30.31 3gsw s TRP 204 CO 0.06 0.64 -0.11 0.00 0.02 0.00 0.00 176.95 177.56 3gsw s ALA 205 N -1.01 1.76 0.16 0.98 0.00 0.01 -2.39 121.76 121.27 3gsw s ALA 205 Ca 0.15 -0.93 0.09 0.00 0.00 0.00 0.00 51.96 51.27 3gsw s ALA 205 Cb -0.12 -1.11 -0.04 0.00 0.00 0.00 0.00 23.12 21.85 3gsw s ALA 205 CO 0.05 -0.58 -0.19 -0.51 0.00 0.00 0.00 175.76 174.52 3gsw s LEU 206 N 1.52 2.41 -1.41 0.00 1.43 0.03 -1.55 118.68 121.11 3gsw s LEU 206 Ca 0.02 -0.83 -0.09 0.00 -1.03 0.00 0.00 54.13 52.20 3gsw s LEU 206 Cb -0.14 -0.87 0.02 0.00 0.03 0.00 0.00 46.19 45.23 3gsw s LEU 206 CO -0.09 -0.00 1.07 -0.24 0.23 0.00 0.00 176.35 177.31 3gsw n SER 207 N 0.43 -6.14 -4.81 2.29 2.88 -0.79 -0.82 113.62 106.66 3gsw n SER 207 Ca -0.14 -0.53 -0.26 0.00 -1.33 0.00 0.00 58.87 56.61 3gsw n SER 207 Cb 0.56 -4.85 -0.05 0.00 -0.75 0.00 0.00 64.21 59.12 3gsw n SER 207 CO 0.00 0.00 0.00 0.72 -1.23 0.00 0.00 175.04 174.53 3gsw s PHE 208 N -3.29 3.16 -0.22 0.66 -0.12 -1.02 -4.71 117.98 112.45 3gsw s PHE 208 Ca 0.56 -0.02 -0.15 0.00 -0.05 0.00 0.00 56.93 57.27 3gsw s PHE 208 Cb -0.25 -1.51 0.06 0.00 -0.63 0.00 0.00 43.02 40.69 3gsw s PHE 208 CO 0.69 0.52 0.54 -0.47 -0.05 0.00 0.00 175.22 176.45 3gsw s TYR 209 N -1.78 -0.74 1.06 3.49 5.04 -0.53 -0.87 117.35 123.03 3gsw s TYR 209 Ca 0.31 1.60 -0.18 0.00 -2.44 0.00 0.00 57.07 56.37 3gsw s TYR 209 Cb -0.10 0.35 0.26 0.00 0.35 0.00 0.00 41.96 42.82 3gsw s TYR 209 CO 0.24 -0.38 1.02 -0.35 -1.34 0.00 0.00 175.55 174.74 3gsw n PRO 210 N 3.73 -2.57 0.18 4.97 -0.04 -1.26 -0.74 135.00 139.26 3gsw n PRO 210 Ca -0.19 -1.62 0.03 0.00 -0.04 0.00 0.00 63.50 61.68 3gsw n PRO 210 Cb 0.57 -1.42 0.31 0.00 -0.04 0.00 0.00 33.50 32.92 3gsw n PRO 210 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3gsw h ALA 211 N -2.49 1.10 -2.32 0.55 0.00 -1.96 -3.45 119.26 110.70 3gsw h ALA 211 Ca -0.37 -0.40 -0.57 0.00 0.00 0.00 0.00 54.91 53.57 3gsw h ALA 211 Cb 1.11 -0.07 0.04 0.00 0.00 0.00 0.00 17.79 18.88 3gsw h ALA 211 CO 0.25 0.54 0.99 -1.91 0.00 0.00 0.00 179.25 179.12 3gsw n GLU 212 N -3.76 2.42 -3.49 0.00 4.07 -1.26 -4.98 120.64 113.64 3gsw n GLU 212 Ca -0.01 0.88 -0.15 0.00 -0.06 0.00 0.00 57.16 57.82 3gsw n GLU 212 Cb 0.50 -2.71 -0.04 0.00 -0.06 0.00 0.00 31.44 29.12 3gsw n GLU 212 CO 0.00 0.00 0.00 -1.50 -0.06 0.00 0.00 177.13 175.57 3gsw s ILE 213 N 2.29 0.00 -0.08 6.31 2.07 -1.26 -4.62 121.20 125.91 3gsw s ILE 213 Ca 0.83 0.00 0.02 0.00 -1.41 0.00 0.00 60.65 60.09 3gsw s ILE 213 Cb -0.60 -1.00 0.01 0.00 0.13 0.00 0.00 42.46 41.00 3gsw s ILE 213 CO 0.40 0.00 -0.12 -0.89 -1.91 0.00 0.00 174.94 172.42 3gsw s THR 214 N -2.15 1.18 -0.11 4.00 2.01 -0.72 -5.01 115.64 114.84 3gsw s THR 214 Ca -0.06 -0.48 0.02 0.00 0.31 0.00 0.00 61.69 61.48 3gsw s THR 214 Cb -0.00 -1.09 0.01 0.00 0.01 0.00 0.00 72.50 71.42 3gsw s THR 214 CO 0.01 0.37 -0.19 -0.76 -0.69 0.00 0.00 174.62 173.36 3gsw s LEU 215 N 0.83 1.91 0.04 4.42 1.43 -1.26 -1.38 118.68 124.67 3gsw s LEU 215 Ca -0.11 -0.50 -0.00 0.00 -1.03 0.00 0.00 54.13 52.48 3gsw s LEU 215 Cb -0.15 -1.24 -0.03 0.00 0.03 0.00 0.00 46.19 44.79 3gsw s LEU 215 CO 0.02 0.07 -0.03 0.42 0.23 0.00 0.00 176.35 177.05 3gsw s THR 216 N 0.78 0.17 0.02 5.49 -4.23 -0.70 -4.97 115.64 112.19 3gsw s THR 216 Ca -0.10 -1.35 0.01 0.00 -1.18 0.00 0.00 61.69 59.07 3gsw s THR 216 Cb -0.16 -0.87 -0.04 0.00 1.34 0.00 0.00 72.50 72.77 3gsw s THR 216 CO 0.01 -0.74 0.08 0.26 -0.54 0.00 0.00 174.62 173.68 3gsw s TRP 217 N -2.64 3.25 0.10 3.99 0.52 -1.26 -0.34 118.94 122.56 3gsw s TRP 217 Ca -0.05 0.16 0.08 0.00 0.02 0.00 0.00 56.10 56.31 3gsw s TRP 217 Cb -0.01 -1.70 -0.03 0.00 -1.15 0.00 0.00 33.47 30.57 3gsw s TRP 217 CO -0.05 0.54 -0.20 -0.65 0.02 0.00 0.00 176.95 176.60 3gsw s GLN 218 N -1.89 1.09 -0.15 4.98 -0.21 0.01 -0.93 119.66 122.55 3gsw s GLN 218 Ca 0.24 -1.14 0.01 0.00 0.02 0.00 0.00 55.36 54.49 3gsw s GLN 218 Cb -0.12 -1.32 0.02 0.00 1.00 0.00 0.00 33.01 32.59 3gsw s GLN 218 CO 0.16 0.31 -0.16 0.50 -2.12 0.00 0.00 175.29 173.97 3gsw s ARG 219 N -1.90 2.46 -1.40 2.91 3.00 1.00 -1.43 118.95 123.59 3gsw s ARG 219 Ca 0.05 -0.63 -0.11 0.00 -1.00 0.00 0.00 55.73 54.05 3gsw s ARG 219 Cb -0.10 -2.18 0.08 0.00 0.00 0.00 0.00 34.95 32.75 3gsw s ARG 219 CO 0.04 -0.20 0.63 -0.25 0.00 0.00 0.00 175.30 175.52 3gsw n ASP 220 N 4.63 -4.12 0.00 -2.12 8.00 0.04 -1.67 116.55 121.31 3gsw n ASP 220 Ca -0.18 -0.52 0.00 0.00 0.71 0.00 0.00 54.79 54.80 3gsw n ASP 220 Cb 0.50 -3.37 0.00 0.00 -0.02 0.00 0.00 41.12 38.23 3gsw n ASP 220 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3gsw n GLY 221 N -1.33 0.66 3.33 0.44 0.00 -1.26 -5.04 105.19 101.99 3gsw n GLY 221 Ca -0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.70 3gsw n GLY 221 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3gsw s GLU 222 N -0.20 2.31 0.29 1.61 2.56 -0.67 -5.06 118.70 119.54 3gsw s GLU 222 Ca 0.00 -0.88 -0.30 0.00 0.00 0.00 0.00 54.97 53.79 3gsw s GLU 222 Cb 0.00 -2.14 -0.13 0.00 2.00 0.00 0.00 34.13 33.87 3gsw s GLU 222 CO 0.00 0.52 1.37 -0.25 -0.56 0.00 0.00 175.26 176.34 3gsw n ASP 223 N 2.57 2.84 -4.00 -1.70 10.43 -1.26 -0.00 116.55 125.44 3gsw n ASP 223 Ca -0.17 1.17 -0.30 0.00 2.57 0.00 0.00 54.79 58.06 3gsw n ASP 223 Cb 0.51 -1.47 -0.16 0.00 1.84 0.00 0.00 41.12 41.85 3gsw n ASP 223 CO 0.00 0.00 0.00 -1.58 -1.07 0.00 0.00 177.20 174.55 3gsw s GLN 224 N -1.07 2.12 -0.05 -1.24 2.00 -0.11 -4.75 119.66 116.56 3gsw s GLN 224 Ca 0.62 -0.69 0.05 0.00 -2.00 0.00 0.00 55.36 53.33 3gsw s GLN 224 Cb -0.60 -2.25 -0.06 0.00 0.80 0.00 0.00 33.01 30.90 3gsw s GLN 224 CO 0.55 -0.34 0.01 0.25 -0.50 0.00 0.00 175.29 175.27 3gsw n THR 225 N 4.74 0.37 -1.82 -0.34 -2.24 -1.26 -4.26 114.28 109.46 3gsw n THR 225 Ca -0.16 -0.22 -0.40 0.00 -2.27 0.00 0.00 64.05 61.00 3gsw n THR 225 Cb 0.48 -0.85 0.01 0.00 -2.10 0.00 0.00 70.33 67.87 3gsw n THR 225 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 3gsw s GLN 226 N -2.13 3.75 -1.84 -0.78 -0.21 -1.26 -2.66 119.66 114.53 3gsw s GLN 226 Ca -0.03 2.42 0.00 0.00 0.02 0.00 0.00 55.36 57.77 3gsw s GLN 226 Cb 0.02 -2.70 0.00 0.00 1.00 0.00 0.00 33.01 31.33 3gsw s GLN 226 CO 0.21 -0.76 0.00 -0.25 -2.12 0.00 0.00 175.29 172.37 3gsw n ASP 227 N -0.10 -5.82 -4.65 5.90 8.00 -1.26 -4.88 116.55 113.74 3gsw n ASP 227 Ca 0.05 0.07 -0.23 0.00 0.71 0.00 0.00 54.79 55.38 3gsw n ASP 227 Cb 0.42 -4.88 -0.07 0.00 -0.02 0.00 0.00 41.12 36.57 3gsw n ASP 227 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 3gsw s THR 228 N -2.99 3.48 -0.01 -3.53 -4.23 -1.09 -1.76 115.64 105.51 3gsw s THR 228 Ca 0.00 -1.87 0.01 0.00 -1.18 0.00 0.00 61.69 58.64 3gsw s THR 228 Cb 0.00 -2.85 0.01 0.00 1.34 0.00 0.00 72.50 71.00 3gsw s THR 228 CO 0.00 -0.35 -0.01 -0.70 -0.54 0.00 0.00 174.62 173.01 3gsw s GLU 229 N -3.62 0.19 -0.18 3.99 2.12 -0.32 -4.97 118.70 115.90 3gsw s GLU 229 Ca 0.31 -0.01 -0.02 0.00 0.36 0.00 0.00 54.97 55.60 3gsw s GLU 229 Cb -0.07 -0.26 0.06 0.00 0.26 0.00 0.00 34.13 34.12 3gsw s GLU 229 CO 0.20 -0.02 0.02 -1.17 -0.54 0.00 0.00 175.26 173.75 3gsw s LEU 230 N 0.34 1.19 0.56 2.70 2.96 -1.26 -0.14 118.68 125.03 3gsw s LEU 230 Ca -0.03 -0.75 -0.17 0.00 -0.22 0.00 0.00 54.13 52.96 3gsw s LEU 230 Cb -0.05 -0.61 -0.05 0.00 0.50 0.00 0.00 46.19 45.97 3gsw s LEU 230 CO -0.01 -0.29 1.05 0.68 -1.32 0.00 0.00 176.35 176.47 3gsw s VAL 231 N 1.84 3.82 0.38 1.68 -7.23 -1.01 -5.01 120.40 114.87 3gsw s VAL 231 Ca -0.00 0.93 -0.26 0.00 -1.81 0.00 0.00 61.98 60.84 3gsw s VAL 231 Cb -0.17 -3.41 -0.09 0.00 0.56 0.00 0.00 36.38 33.28 3gsw s VAL 231 CO -0.08 -0.44 1.23 -1.61 -0.31 0.00 0.00 175.10 173.90 3gsw s GLU 232 N -3.84 4.11 0.19 4.82 0.41 -1.26 -4.60 118.70 118.52 3gsw s GLU 232 Ca 0.65 2.01 -0.33 0.00 -0.41 0.00 0.00 54.97 56.89 3gsw s GLU 232 Cb -0.16 -2.80 -0.13 0.00 -1.78 0.00 0.00 34.13 29.25 3gsw s GLU 232 CO 0.32 -0.33 1.56 2.41 -0.49 0.00 0.00 175.26 178.74 3gsw n THR 233 N 0.29 0.22 -4.28 3.63 -1.04 -1.26 -4.85 114.28 106.98 3gsw n THR 233 Ca 0.03 -0.05 -0.19 0.00 -2.04 0.00 0.00 64.05 61.79 3gsw n THR 233 Cb 0.45 -1.59 -0.13 0.00 -1.82 0.00 0.00 70.33 67.24 3gsw n THR 233 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3gsw s ARG 234 N 0.63 0.87 0.18 -2.82 1.70 -0.49 -4.96 118.95 114.05 3gsw s ARG 234 Ca 0.76 -0.80 -0.30 0.00 -0.47 0.00 0.00 55.73 54.92 3gsw s ARG 234 Cb -0.65 -0.87 -0.08 0.00 -0.57 0.00 0.00 34.95 32.79 3gsw s ARG 234 CO 0.40 0.21 1.22 -1.25 -1.08 0.00 0.00 175.30 174.79 3gsw s PRO 235 N -1.30 4.47 0.29 3.89 0.04 -1.26 -0.64 135.00 140.48 3gsw s PRO 235 Ca 0.00 1.90 0.10 0.00 0.04 0.00 0.00 61.00 63.04 3gsw s PRO 235 Cb -0.08 -3.24 0.41 0.00 0.04 0.00 0.00 34.50 31.62 3gsw s PRO 235 CO 0.01 -0.13 1.65 0.00 0.04 0.00 0.00 177.00 178.57 3gsw h ALA 236 N 5.40 1.04 0.00 8.56 0.00 -1.05 -3.47 119.26 129.75 3gsw h ALA 236 Ca -0.44 -0.51 0.00 0.00 0.00 0.00 0.00 54.91 53.95 3gsw h ALA 236 Cb 1.21 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.91 3gsw h ALA 236 CO 0.76 0.70 0.00 0.41 0.00 0.00 0.00 179.25 181.12 3gsw n GLY 237 N 0.11 0.62 0.74 0.00 0.00 -1.26 -4.92 105.19 100.47 3gsw n GLY 237 Ca -0.01 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.09 3gsw n GLY 237 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3gsw n ASP 238 N 0.00 3.51 0.00 1.61 5.68 -1.26 -4.94 116.55 121.14 3gsw n ASP 238 Ca 0.00 -2.82 0.00 0.00 -0.50 0.00 0.00 54.79 51.47 3gsw n ASP 238 Cb 0.00 -0.46 0.00 0.00 -1.14 0.00 0.00 41.12 39.52 3gsw n ASP 238 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3gsw n GLY 239 N -0.43 1.88 4.02 6.12 0.00 -1.26 -5.06 105.19 110.45 3gsw n GLY 239 Ca 0.18 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.01 3gsw n GLY 239 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3gsw s THR 240 N -2.50 2.35 0.26 2.61 -4.23 -1.26 -4.91 115.64 107.96 3gsw s THR 240 Ca 0.00 -1.04 0.06 0.00 -1.18 0.00 0.00 61.69 59.52 3gsw s THR 240 Cb 0.00 -2.39 -0.06 0.00 1.34 0.00 0.00 72.50 71.39 3gsw s THR 240 CO 0.00 0.00 -0.04 -0.36 -0.54 0.00 0.00 174.62 173.68 3gsw s PHE 241 N -2.59 1.81 0.03 3.99 0.40 -0.05 -0.43 117.98 121.15 3gsw s PHE 241 Ca 0.58 -0.78 -0.01 0.00 -0.60 0.00 0.00 56.93 56.13 3gsw s PHE 241 Cb -0.06 -1.04 -0.02 0.00 0.51 0.00 0.00 43.02 42.40 3gsw s PHE 241 CO 0.36 0.17 -0.02 -0.65 0.70 0.00 0.00 175.22 175.78 3gsw s GLN 242 N -3.77 0.39 -0.03 0.44 -0.21 0.19 -1.88 119.66 114.79 3gsw s GLN 242 Ca 0.29 -0.72 -0.29 0.00 0.02 0.00 0.00 55.36 54.66 3gsw s GLN 242 Cb 0.04 0.14 0.09 0.00 1.00 0.00 0.00 33.01 34.28 3gsw s GLN 242 CO 0.11 -0.07 0.76 0.21 -2.12 0.00 0.00 175.29 174.18 3gsw s LYS 243 N -1.98 0.97 0.06 2.91 2.20 -0.60 -1.40 119.74 121.90 3gsw s LYS 243 Ca -0.11 0.02 -0.05 0.00 -0.36 0.00 0.00 55.97 55.48 3gsw s LYS 243 Cb -0.06 0.45 -0.02 0.00 -1.51 0.00 0.00 37.83 36.69 3gsw s LYS 243 CO -0.03 -0.35 0.07 1.67 -0.36 0.00 0.00 175.35 176.36 3gsw s TRP 244 N -1.91 0.31 0.01 4.03 1.48 -1.26 -0.81 118.94 120.79 3gsw s TRP 244 Ca -0.05 -0.76 0.03 0.00 -1.06 0.00 0.00 56.10 54.26 3gsw s TRP 244 Cb -0.00 -0.22 -0.01 0.00 -1.16 0.00 0.00 33.47 32.08 3gsw s TRP 244 CO 0.01 -0.43 -0.08 0.54 -4.06 0.00 0.00 176.95 172.93 3gsw s VAL 245 N -3.52 0.66 0.17 -0.66 0.11 -0.73 -2.41 120.40 114.02 3gsw s VAL 245 Ca 0.03 -0.51 0.07 0.00 -2.93 0.00 0.00 61.98 58.63 3gsw s VAL 245 Cb 0.04 -0.58 -0.04 0.00 -1.53 0.00 0.00 36.38 34.27 3gsw s VAL 245 CO -0.09 0.08 -0.14 0.00 -3.33 0.00 0.00 175.10 171.62 3gsw s ALA 246 N -0.42 1.80 -0.00 1.54 0.00 0.80 -0.45 121.76 125.03 3gsw s ALA 246 Ca 0.01 -1.55 -0.01 0.00 0.00 0.00 0.00 51.96 50.41 3gsw s ALA 246 Cb -0.04 -0.06 -0.00 0.00 0.00 0.00 0.00 23.12 23.01 3gsw s ALA 246 CO -0.00 0.04 0.01 0.54 0.00 0.00 0.00 175.76 176.36 3gsw s VAL 247 N -2.87 0.03 -0.15 0.00 0.11 -0.46 -1.18 120.40 115.88 3gsw s VAL 247 Ca 0.18 -0.24 -0.14 0.00 -2.93 0.00 0.00 61.98 58.86 3gsw s VAL 247 Cb -0.01 -0.10 -0.05 0.00 -1.53 0.00 0.00 36.38 34.69 3gsw s VAL 247 CO 0.05 -0.13 0.30 -0.69 -3.33 0.00 0.00 175.10 171.30 3gsw s VAL 248 N -0.39 5.29 0.08 2.04 1.01 -0.73 -1.01 120.40 126.70 3gsw s VAL 248 Ca -0.04 0.57 0.04 0.00 0.00 0.00 0.00 61.98 62.55 3gsw s VAL 248 Cb -0.03 -3.64 -0.03 0.00 0.00 0.00 0.00 36.38 32.68 3gsw s VAL 248 CO -0.00 0.40 -0.10 0.68 0.00 0.00 0.00 175.10 176.08 3gsw s VAL 249 N 0.35 0.89 0.20 2.92 -7.23 0.10 -4.95 120.40 112.67 3gsw s VAL 249 Ca 0.17 -1.44 -0.32 0.00 -1.81 0.00 0.00 61.98 58.58 3gsw s VAL 249 Cb -0.13 -1.13 -0.12 0.00 0.56 0.00 0.00 36.38 35.56 3gsw s VAL 249 CO 0.05 -0.45 1.69 -2.84 -0.31 0.00 0.00 175.10 173.24 3gsw s PRO 250 N -2.30 4.14 0.15 4.82 0.02 -1.26 -1.16 135.00 139.40 3gsw s PRO 250 Ca 0.00 2.56 -0.34 0.00 0.02 0.00 0.00 61.00 63.24 3gsw s PRO 250 Cb -0.06 -3.09 -0.15 0.00 0.02 0.00 0.00 34.50 31.22 3gsw s PRO 250 CO 0.01 -0.72 1.39 0.45 -0.33 0.00 0.00 177.00 177.79 3gsw n SER 251 N 3.95 2.20 0.00 2.53 2.88 0.32 -1.25 113.62 124.25 3gsw n SER 251 Ca 0.15 1.12 0.00 0.00 -1.33 0.00 0.00 58.87 58.81 3gsw n SER 251 Cb 0.36 -1.30 0.00 0.00 -0.75 0.00 0.00 64.21 62.52 3gsw n SER 251 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3gsw n GLY 252 N 2.65 1.30 1.12 0.46 0.00 -1.26 -4.89 105.19 104.57 3gsw n GLY 252 Ca 0.16 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.26 3gsw n GLY 252 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3gsw n GLN 253 N -2.00 3.36 0.01 1.61 1.13 -0.38 -4.71 117.38 116.40 3gsw n GLN 253 Ca 0.00 -2.73 0.16 0.00 -1.94 0.00 0.00 57.00 52.49 3gsw n GLN 253 Cb 0.00 -1.79 0.62 0.00 0.11 0.00 0.00 30.24 29.18 3gsw n GLN 253 CO 0.00 0.00 0.00 0.93 -1.44 0.00 0.00 177.06 176.55 3gsw h GLU 254 N 2.64 0.12 0.00 -1.09 3.07 -1.91 -2.33 114.58 115.08 3gsw h GLU 254 Ca 0.00 -0.01 -0.01 0.00 -0.50 0.00 0.00 59.36 58.84 3gsw h GLU 254 Cb 1.37 -0.03 -0.00 0.00 -0.84 0.00 0.00 28.75 29.25 3gsw h GLU 254 CO 0.21 0.08 -0.06 1.96 -1.40 0.00 0.00 179.01 179.80 3gsw h GLN 255 N 0.13 0.00 0.00 2.33 7.50 -1.97 -1.99 115.11 121.11 3gsw h GLN 255 Ca 0.22 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.37 3gsw h GLN 255 Cb 0.72 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.25 3gsw h GLN 255 CO -0.03 0.06 0.00 0.00 -1.50 0.00 0.00 178.83 177.37 3gsw h ARG 256 N 0.00 0.00 -5.34 1.46 3.08 -1.80 -3.45 114.38 108.33 3gsw h ARG 256 Ca -0.00 0.00 -0.63 0.00 0.07 0.00 0.00 59.98 59.42 3gsw h ARG 256 Cb 0.24 0.00 -0.19 0.00 0.08 0.00 0.00 29.97 30.09 3gsw h ARG 256 CO 0.01 0.00 -0.63 0.71 -1.07 0.00 0.00 179.97 178.99 3gsw s TYR 257 N -3.60 3.10 0.00 3.04 2.02 -0.75 -0.78 117.35 120.39 3gsw s TYR 257 Ca 0.02 -0.15 0.04 0.00 -0.37 0.00 0.00 57.07 56.60 3gsw s TYR 257 Cb 0.09 -1.98 -0.01 0.00 -0.40 0.00 0.00 41.96 39.66 3gsw s TYR 257 CO 0.51 0.06 -0.11 0.95 -1.57 0.00 0.00 175.55 175.38 3gsw s THR 258 N 0.28 0.90 -0.15 -0.71 -4.23 -0.51 -4.49 115.64 106.73 3gsw s THR 258 Ca -0.01 -0.61 -0.07 0.00 -1.18 0.00 0.00 61.69 59.82 3gsw s THR 258 Cb -0.13 -0.78 -0.04 0.00 1.34 0.00 0.00 72.50 72.89 3gsw s THR 258 CO 0.02 0.17 0.10 0.00 -0.54 0.00 0.00 174.62 174.37 3gsw s HIS 260 N -0.33 2.71 -0.18 0.00 3.76 0.54 -0.47 115.29 121.33 3gsw s HIS 260 Ca 0.10 -1.36 0.00 0.00 -0.15 0.00 0.00 55.06 53.66 3gsw s HIS 260 Cb -0.12 -1.85 0.02 0.00 1.11 0.00 0.00 32.58 31.74 3gsw s HIS 260 CO 0.01 -0.63 -0.18 0.08 -0.85 0.00 0.00 174.74 173.17 3gsw s VAL 261 N 0.92 2.24 -0.16 -0.90 1.01 0.06 -1.73 120.40 121.84 3gsw s VAL 261 Ca -0.04 -0.88 0.00 0.00 0.00 0.00 0.00 61.98 61.06 3gsw s VAL 261 Cb -0.15 -1.95 0.00 0.00 0.00 0.00 0.00 36.38 34.28 3gsw s VAL 261 CO -0.04 0.53 -0.16 -1.10 0.00 0.00 0.00 175.10 174.32 3gsw s GLN 262 N 1.27 3.18 -0.08 2.72 -0.21 -0.48 -1.00 119.66 125.06 3gsw s GLN 262 Ca 0.04 -0.77 -0.21 0.00 0.02 0.00 0.00 55.36 54.45 3gsw s GLN 262 Cb -0.13 -2.61 0.05 0.00 1.00 0.00 0.00 33.01 31.32 3gsw s GLN 262 CO -0.11 -0.01 0.49 -1.58 -2.12 0.00 0.00 175.29 171.96 3gsw s HIS 263 N 0.87 -0.45 0.49 0.91 2.46 -1.26 -1.76 115.29 116.55 3gsw s HIS 263 Ca -0.04 0.89 0.25 0.00 0.47 0.00 0.00 55.06 56.62 3gsw s HIS 263 Cb -0.15 0.22 1.30 0.00 -0.13 0.00 0.00 32.58 33.82 3gsw s HIS 263 CO -0.01 -0.41 1.89 1.49 -2.47 0.00 0.00 174.74 175.23 3gsw h GLU 264 N 4.11 0.16 0.00 2.88 4.81 -1.94 -0.18 114.58 124.43 3gsw h GLU 264 Ca -0.28 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 58.94 3gsw h GLU 264 Cb 1.17 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.51 3gsw h GLU 264 CO 0.32 0.11 0.00 0.41 -0.73 0.00 0.00 179.01 179.12 3gsw n GLY 265 N -1.62 -1.19 3.36 1.92 0.00 -1.26 -4.67 105.19 101.73 3gsw n GLY 265 Ca 0.17 -0.12 -0.37 0.00 0.00 0.00 0.00 46.02 45.70 3gsw n GLY 265 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3gsw s LEU 266 N -2.62 3.77 0.14 0.99 1.43 -0.08 -4.58 118.68 117.73 3gsw s LEU 266 Ca 0.24 -0.61 -0.23 0.00 -1.03 0.00 0.00 54.13 52.50 3gsw s LEU 266 Cb 0.18 -1.89 0.01 0.00 0.03 0.00 0.00 46.19 44.52 3gsw s LEU 266 CO 0.41 -0.16 1.64 -0.65 0.23 0.00 0.00 176.35 177.82 3gsw h PRO 267 N 8.24 -0.24 -6.69 1.29 0.11 -1.83 -3.41 132.00 129.47 3gsw h PRO 267 Ca -0.33 0.02 -0.69 0.00 0.11 0.00 0.00 66.00 65.11 3gsw h PRO 267 Cb 1.14 0.05 -0.22 0.00 0.11 0.00 0.00 31.00 32.08 3gsw h PRO 267 CO 0.60 -0.16 -0.83 0.15 -0.21 0.00 0.00 178.00 177.55 3gsw s LYS 268 N -6.10 1.86 0.71 1.05 1.02 -1.26 -5.12 119.74 111.89 3gsw s LYS 268 Ca -0.15 -1.10 -0.16 0.00 0.02 0.00 0.00 55.97 54.58 3gsw s LYS 268 Cb 0.11 -2.09 -0.04 0.00 -0.52 0.00 0.00 37.83 35.30 3gsw s LYS 268 CO 0.68 0.51 0.60 -0.35 -0.92 0.00 0.00 175.35 175.86 3gsw n PRO 269 N 1.33 0.36 -4.03 -1.68 -0.04 -1.26 -4.98 135.00 124.70 3gsw n PRO 269 Ca -0.16 0.16 -0.35 0.00 -0.04 0.00 0.00 63.50 63.11 3gsw n PRO 269 Cb 0.52 -1.88 -0.07 0.00 -0.04 0.00 0.00 33.50 32.04 3gsw n PRO 269 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 3gsw s LEU 270 N -0.58 4.13 -0.15 1.53 2.96 -0.17 -4.93 118.68 121.47 3gsw s LEU 270 Ca 0.67 0.32 0.02 0.00 -0.22 0.00 0.00 54.13 54.92 3gsw s LEU 270 Cb -0.36 -2.16 0.01 0.00 0.50 0.00 0.00 46.19 44.18 3gsw s LEU 270 CO 0.56 0.35 -0.21 -0.89 -1.32 0.00 0.00 176.35 174.84 3gsw s THR 271 N -1.09 2.15 0.01 3.68 2.01 -1.26 -0.76 115.64 120.38 3gsw s THR 271 Ca 0.19 -0.95 0.04 0.00 0.31 0.00 0.00 61.69 61.28 3gsw s THR 271 Cb -0.12 -1.87 -0.03 0.00 0.01 0.00 0.00 72.50 70.49 3gsw s THR 271 CO 0.08 0.54 -0.07 -0.76 -0.69 0.00 0.00 174.62 173.72 3gsw s LEU 272 N 0.87 3.14 0.06 4.42 1.02 0.39 -4.95 118.68 123.62 3gsw s LEU 272 Ca -0.05 -0.18 0.05 0.00 0.02 0.00 0.00 54.13 53.96 3gsw s LEU 272 Cb -0.15 -1.81 -0.03 0.00 0.02 0.00 0.00 46.19 44.22 3gsw s LEU 272 CO -0.03 0.27 -0.13 -0.13 0.02 0.00 0.00 176.35 176.35 3gsw s ARG 273 N -1.49 0.80 0.00 1.70 0.52 -1.26 -1.47 118.95 117.75 3gsw s ARG 273 Ca 0.17 -0.84 0.32 0.00 -0.52 0.00 0.00 55.73 54.86 3gsw s ARG 273 Cb -0.11 -0.77 1.83 0.00 0.52 0.00 0.00 34.95 36.42 3gsw s ARG 273 CO 0.08 0.18 2.18 1.87 0.02 0.00 0.00 175.30 179.63