#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dwg n HIS 0 N 0.00 -1.04 -4.40 -0.14 8.25 -1.26 -5.00 115.22 111.63 3dwg n HIS 0 Ca 0.00 0.04 -0.28 0.00 -0.26 0.00 0.00 57.72 57.22 3dwg n HIS 0 Cb 0.00 -3.92 -0.13 0.00 1.12 0.00 0.00 29.99 27.06 3dwg n HIS 0 CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 3dwg s MET 1 N -5.06 1.44 0.00 -0.41 -1.94 -1.26 -5.03 119.30 107.04 3dwg s MET 1 Ca 0.02 -1.42 0.00 0.00 -1.71 0.00 0.00 55.69 52.59 3dwg s MET 1 Cb -0.01 -1.88 0.00 0.00 2.01 0.00 0.00 34.83 34.95 3dwg s MET 1 CO 0.03 0.43 0.00 0.25 -0.01 0.00 0.00 175.02 175.72 3dwg n THR 2 N 0.66 0.00 -4.12 2.05 -2.24 -1.26 -5.03 114.28 104.35 3dwg n THR 2 Ca -0.16 -0.01 -0.35 0.00 -2.27 0.00 0.00 64.05 61.27 3dwg n THR 2 Cb 0.54 0.35 -0.09 0.00 -2.10 0.00 0.00 70.33 69.03 3dwg n THR 2 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 3dwg s ARG 3 N -1.34 3.61 0.07 -0.78 3.52 -1.26 -5.10 118.95 117.67 3dwg s ARG 3 Ca 0.00 -0.34 0.03 0.00 -0.13 0.00 0.00 55.73 55.29 3dwg s ARG 3 Cb 0.00 -3.07 -0.03 0.00 -1.56 0.00 0.00 34.95 30.28 3dwg s ARG 3 CO 0.00 0.46 -0.09 0.71 -0.81 0.00 0.00 175.30 175.57 3dwg s TYR 4 N -0.17 0.89 -2.09 5.12 1.51 -1.26 -5.05 117.35 116.31 3dwg s TYR 4 Ca 0.07 -0.61 0.29 0.00 -1.01 0.00 0.00 57.07 55.81 3dwg s TYR 4 Cb -0.12 -0.51 1.33 0.00 -0.11 0.00 0.00 41.96 42.55 3dwg s TYR 4 CO 0.01 -0.05 1.91 -0.25 -1.11 0.00 0.00 175.55 176.06 3dwg n ASP 5 N 0.92 0.76 -3.58 2.29 8.00 -1.26 -4.91 116.55 118.78 3dwg n ASP 5 Ca -0.19 -1.07 -0.05 0.00 0.71 0.00 0.00 54.79 54.19 3dwg n ASP 5 Cb 0.56 -0.01 -0.02 0.00 -0.02 0.00 0.00 41.12 41.64 3dwg n ASP 5 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 3dwg s SER 6 N -2.15 -0.22 0.19 -2.24 1.04 -1.26 -5.01 113.70 104.04 3dwg s SER 6 Ca 0.38 -0.05 -0.10 0.00 0.48 0.00 0.00 55.95 56.66 3dwg s SER 6 Cb 0.21 0.26 0.10 0.00 0.10 0.00 0.00 66.02 66.70 3dwg s SER 6 CO 0.39 -0.44 1.74 0.25 0.98 0.00 0.00 173.24 176.16 3dwg h LEU 7 N 2.00 0.94 -1.40 2.42 5.85 -2.00 -2.64 115.31 120.48 3dwg h LEU 7 Ca -0.17 -0.19 -0.06 0.00 0.84 0.00 0.00 57.88 58.30 3dwg h LEU 7 Cb 1.20 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.98 3dwg h LEU 7 CO 0.27 0.87 -0.30 -0.07 -0.34 0.00 0.00 178.44 178.87 3dwg h LEU 8 N 0.95 0.01 -1.67 2.25 3.38 -2.00 -1.74 115.31 116.49 3dwg h LEU 8 Ca 0.22 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.19 3dwg h LEU 8 Cb 0.24 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.99 3dwg h LEU 8 CO -0.01 0.30 0.00 1.56 0.09 0.00 0.00 178.44 180.38 3dwg h GLN 9 N 0.00 0.00 -0.01 1.13 4.20 -1.86 -2.72 115.11 115.85 3dwg h GLN 9 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3dwg h GLN 9 Cb 0.53 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.31 3dwg h GLN 9 CO 0.04 0.00 -0.01 0.00 -0.67 0.00 0.00 178.83 178.19 3dwg n ALA 10 N -2.07 2.63 -1.54 3.87 0.00 -0.65 -4.96 120.51 117.79 3dwg n ALA 10 Ca 0.00 -0.36 -0.48 0.00 0.00 0.00 0.00 53.44 52.60 3dwg n ALA 10 Cb 0.26 -1.28 -0.03 0.00 0.00 0.00 0.00 19.45 18.40 3dwg n ALA 10 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 3dwg n LEU 11 N -0.25 0.87 0.00 0.00 7.94 -1.03 -4.75 117.00 119.78 3dwg n LEU 11 Ca 0.20 1.15 0.00 0.00 -1.11 0.00 0.00 56.01 56.26 3dwg n LEU 11 Cb 0.28 -1.16 0.00 0.00 0.53 0.00 0.00 43.42 43.06 3dwg n LEU 11 CO 0.17 -1.78 0.00 0.61 -1.11 0.00 0.00 177.39 175.29 3dwg n GLY 12 N 1.69 -0.23 4.14 -3.96 0.00 -1.26 -4.93 105.19 100.65 3dwg n GLY 12 Ca 0.14 -1.03 -0.31 0.00 0.00 0.00 0.00 46.02 44.82 3dwg n GLY 12 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3dwg n ASN 13 N -0.73 -1.45 -4.82 1.61 3.02 -1.26 -4.93 115.26 106.70 3dwg n ASN 13 Ca 0.00 -1.05 -0.32 0.00 -0.03 0.00 0.00 54.58 53.17 3dwg n ASN 13 Cb 0.00 -2.68 0.00 0.00 -0.61 0.00 0.00 39.78 36.49 3dwg n ASN 13 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 3dwg s THR 14 N -3.71 4.15 0.56 3.41 -4.23 -1.26 -5.01 115.64 109.55 3dwg s THR 14 Ca 0.34 0.94 -0.19 0.00 -1.18 0.00 0.00 61.69 61.61 3dwg s THR 14 Cb -0.19 -3.53 -0.05 0.00 1.34 0.00 0.00 72.50 70.07 3dwg s THR 14 CO 0.93 -0.67 1.12 -2.84 -0.54 0.00 0.00 174.62 172.61 3dwg s PRO 15 N -4.31 3.29 -0.20 3.99 0.02 -1.26 -4.80 135.00 131.73 3dwg s PRO 15 Ca 0.61 1.54 -0.01 0.00 0.02 0.00 0.00 61.00 63.16 3dwg s PRO 15 Cb -0.13 -2.00 0.01 0.00 0.02 0.00 0.00 34.50 32.40 3dwg s PRO 15 CO 0.39 -0.88 -0.14 -1.17 -0.33 0.00 0.00 177.00 174.87 3dwg s LEU 16 N -3.99 2.52 -0.14 -5.54 2.96 -1.26 -1.20 118.68 112.03 3dwg s LEU 16 Ca 0.71 -0.63 0.02 0.00 -0.22 0.00 0.00 54.13 54.01 3dwg s LEU 16 Cb -0.22 -1.58 0.01 0.00 0.50 0.00 0.00 46.19 44.90 3dwg s LEU 16 CO 0.29 -0.03 -0.20 -0.69 -1.32 0.00 0.00 176.35 174.40 3dwg s VAL 17 N 1.34 1.96 0.45 1.68 1.01 -0.03 -4.89 120.40 121.92 3dwg s VAL 17 Ca 0.04 -0.91 -0.24 0.00 0.00 0.00 0.00 61.98 60.86 3dwg s VAL 17 Cb -0.14 -1.75 -0.08 0.00 0.00 0.00 0.00 36.38 34.41 3dwg s VAL 17 CO -0.09 0.53 1.30 -0.83 0.00 0.00 0.00 175.10 176.01 3dwg s GLY 18 N 0.96 2.89 -0.91 4.51 0.00 -1.26 -0.04 107.32 113.47 3dwg s GLY 18 Ca -0.04 1.21 -0.01 0.00 0.00 0.00 0.00 44.72 45.88 3dwg s GLY 18 CO -0.04 1.76 0.91 1.04 0.00 0.00 0.00 173.10 176.77 3dwg n LEU 19 N -0.25 4.58 0.09 0.66 4.77 -0.51 -4.89 117.00 121.45 3dwg n LEU 19 Ca 0.06 -5.18 0.04 0.00 -0.03 0.00 0.00 56.01 50.90 3dwg n LEU 19 Cb 0.45 -1.09 0.47 0.00 -2.33 0.00 0.00 43.42 40.91 3dwg n LEU 19 CO 0.54 1.64 1.07 1.56 -1.33 0.00 0.00 177.39 180.86 3dwg h GLN 20 N 5.70 0.33 0.17 3.23 4.20 -1.94 -0.61 115.11 126.20 3dwg h GLN 20 Ca 0.18 -0.03 -0.34 0.00 0.06 0.00 0.00 58.65 58.51 3dwg h GLN 20 Cb 0.76 -0.07 0.01 0.00 0.30 0.00 0.00 27.48 28.48 3dwg h GLN 20 CO 0.94 0.28 -1.68 0.00 -0.67 0.00 0.00 178.83 177.69 3dwg h ARG 21 N 0.34 0.36 0.00 1.46 3.08 -1.91 -3.34 114.38 114.36 3dwg h ARG 21 Ca 0.09 -0.61 -0.06 0.00 0.07 0.00 0.00 59.98 59.46 3dwg h ARG 21 Cb 0.06 0.23 -0.01 0.00 0.08 0.00 0.00 29.97 30.33 3dwg h ARG 21 CO -0.01 1.26 -0.31 -0.07 -1.07 0.00 0.00 179.97 179.77 3dwg h LEU 22 N 0.10 0.00 -9.81 3.04 3.38 -1.90 -3.46 115.31 106.66 3dwg h LEU 22 Ca -0.31 0.00 -0.55 0.00 0.09 0.00 0.00 57.88 57.10 3dwg h LEU 22 Cb 2.08 0.00 0.10 0.00 0.09 0.00 0.00 40.66 42.93 3dwg h LEU 22 CO 0.18 0.31 0.67 -1.20 0.09 0.00 0.00 178.44 178.49 3dwg n SER 23 N -3.20 3.31 -0.28 -0.43 7.64 -0.24 -4.89 113.62 115.53 3dwg n SER 23 Ca 0.02 1.20 0.08 0.00 1.01 0.00 0.00 58.87 61.19 3dwg n SER 23 Cb 0.63 -1.55 0.32 0.00 -1.01 0.00 0.00 64.21 62.61 3dwg n SER 23 CO 0.00 0.00 0.00 -0.65 -3.01 0.00 0.00 175.04 171.38 3dwg h PRO 24 N 3.16 0.81 -1.37 1.43 0.11 -1.88 -3.40 132.00 130.87 3dwg h PRO 24 Ca -0.48 -0.05 -0.06 0.00 0.11 0.00 0.00 66.00 65.52 3dwg h PRO 24 Cb 1.26 -0.18 -0.25 0.00 0.11 0.00 0.00 31.00 31.94 3dwg h PRO 24 CO 0.67 0.53 -0.43 0.50 -0.21 0.00 0.00 178.00 179.06 3dwg s ARG 25 N -5.78 0.48 0.10 1.05 3.52 -0.54 -4.93 118.95 112.86 3dwg s ARG 25 Ca -0.11 0.49 -0.20 0.00 -0.13 0.00 0.00 55.73 55.78 3dwg s ARG 25 Cb 0.21 0.01 -0.09 0.00 -1.56 0.00 0.00 34.95 33.52 3dwg s ARG 25 CO 0.79 -0.90 1.70 2.35 -0.81 0.00 0.00 175.30 178.43 3dwg h TRP 26 N 8.08 0.23 -3.52 5.12 2.91 -1.78 0.26 115.95 127.25 3dwg h TRP 26 Ca -0.10 -0.01 -0.66 0.00 1.13 0.00 0.00 58.89 59.25 3dwg h TRP 26 Cb 1.16 -0.07 -0.16 0.00 -0.51 0.00 0.00 29.16 29.57 3dwg h TRP 26 CO 0.21 0.23 -0.75 -0.51 -1.03 0.00 0.00 178.44 176.59 3dwg s ASP 27 N -5.45 4.31 0.08 2.65 1.01 -1.26 -4.71 116.67 113.30 3dwg s ASP 27 Ca -0.13 -0.44 -0.36 0.00 0.71 0.00 0.00 52.55 52.33 3dwg s ASP 27 Cb 0.07 -0.78 -0.16 0.00 1.01 0.00 0.00 42.92 43.06 3dwg s ASP 27 CO 0.69 0.17 1.41 0.47 0.21 0.00 0.00 175.17 178.12 3dwg n ASP 28 N 0.63 1.96 -4.18 0.27 8.00 -1.26 -4.38 116.55 117.58 3dwg n ASP 28 Ca -0.13 1.11 -0.28 0.00 0.71 0.00 0.00 54.79 56.19 3dwg n ASP 28 Cb 0.53 -1.23 -0.07 0.00 -0.02 0.00 0.00 41.12 40.32 3dwg n ASP 28 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 3dwg s GLY 29 N 0.74 2.83 0.63 0.44 0.00 -0.47 -4.92 107.32 106.56 3dwg s GLY 29 Ca 0.84 -0.86 0.37 0.00 0.00 0.00 0.00 44.72 45.07 3dwg s GLY 29 CO 0.46 -1.92 2.30 0.07 0.00 0.00 0.00 173.10 174.01 3dwg h ARG 30 N 1.61 0.00 -0.01 2.90 0.11 -2.01 -1.83 114.38 115.15 3dwg h ARG 30 Ca -0.36 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.72 3dwg h ARG 30 Cb 1.29 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.37 3dwg h ARG 30 CO 0.58 0.01 -0.19 -0.25 0.10 0.00 0.00 179.97 180.22 3dwg n ASP 31 N -3.43 0.74 0.00 0.08 8.00 -1.26 -5.03 116.55 115.66 3dwg n ASP 31 Ca -0.03 -0.72 0.00 0.00 0.71 0.00 0.00 54.79 54.76 3dwg n ASP 31 Cb 0.09 0.03 0.00 0.00 -0.02 0.00 0.00 41.12 41.22 3dwg n ASP 31 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3dwg n GLY 32 N 1.32 0.97 3.82 0.44 0.00 -0.69 -5.00 105.19 106.04 3dwg n GLY 32 Ca 0.13 -1.94 -0.30 0.00 0.00 0.00 0.00 46.02 43.91 3dwg n GLY 32 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3dwg s PRO 33 N -1.02 2.43 0.79 1.61 0.04 -1.26 -1.37 135.00 136.22 3dwg s PRO 33 Ca 0.00 0.72 -0.13 0.00 0.04 0.00 0.00 61.00 61.63 3dwg s PRO 33 Cb 0.00 -1.95 0.08 0.00 0.04 0.00 0.00 34.50 32.66 3dwg s PRO 33 CO 0.00 -1.40 1.18 -3.38 0.04 0.00 0.00 177.00 173.45 3dwg s HIS 34 N -3.14 1.93 -0.31 0.56 -3.43 -1.26 -4.76 115.29 104.87 3dwg s HIS 34 Ca 0.60 1.66 -0.03 0.00 -0.80 0.00 0.00 55.06 56.49 3dwg s HIS 34 Cb -0.14 -3.42 0.11 0.00 -1.43 0.00 0.00 32.58 27.71 3dwg s HIS 34 CO 0.54 -2.66 0.15 0.08 -2.00 0.00 0.00 174.74 170.86 3dwg s VAL 35 N -2.24 0.05 -0.12 -5.38 1.01 0.90 -1.39 120.40 113.24 3dwg s VAL 35 Ca 0.71 -1.08 -0.05 0.00 0.00 0.00 0.00 61.98 61.56 3dwg s VAL 35 Cb -0.27 -1.06 -0.04 0.00 0.00 0.00 0.00 36.38 35.01 3dwg s VAL 35 CO 0.50 -0.80 0.07 -0.13 0.00 0.00 0.00 175.10 174.74 3dwg s ARG 36 N 1.76 3.36 -0.12 2.72 0.52 -0.47 -1.47 118.95 125.25 3dwg s ARG 36 Ca 0.12 -0.28 -0.05 0.00 -0.52 0.00 0.00 55.73 55.00 3dwg s ARG 36 Cb -0.18 -3.03 -0.04 0.00 0.52 0.00 0.00 34.95 32.22 3dwg s ARG 36 CO -0.25 0.65 0.06 -0.51 0.02 0.00 0.00 175.30 175.27 3dwg s LEU 37 N -0.71 3.88 -0.07 2.53 1.43 -1.26 -0.90 118.68 123.59 3dwg s LEU 37 Ca 0.12 0.23 0.03 0.00 -1.03 0.00 0.00 54.13 53.48 3dwg s LEU 37 Cb -0.12 -1.93 0.01 0.00 0.03 0.00 0.00 46.19 44.18 3dwg s LEU 37 CO 0.03 0.34 -0.15 0.26 0.23 0.00 0.00 176.35 177.06 3dwg s TRP 38 N -0.63 1.65 -0.20 0.29 0.52 -0.06 -1.42 118.94 119.09 3dwg s TRP 38 Ca 0.11 -0.60 -0.06 0.00 0.02 0.00 0.00 56.10 55.57 3dwg s TRP 38 Cb -0.12 -1.17 -0.03 0.00 -1.15 0.00 0.00 33.47 31.00 3dwg s TRP 38 CO 0.02 -0.28 0.03 0.00 0.02 0.00 0.00 176.95 176.74 3dwg s ALA 39 N 0.52 3.16 -0.33 0.98 0.00 0.94 -0.86 121.76 126.18 3dwg s ALA 39 Ca -0.14 -0.93 -0.19 0.00 0.00 0.00 0.00 51.96 50.71 3dwg s ALA 39 Cb -0.15 -1.85 -0.01 0.00 0.00 0.00 0.00 23.12 21.10 3dwg s ALA 39 CO 0.04 -0.08 0.56 0.21 0.00 0.00 0.00 175.76 176.49 3dwg s LYS 40 N 0.87 3.74 -1.14 0.00 2.47 -0.19 -0.85 119.74 124.64 3dwg s LYS 40 Ca 0.02 0.02 -0.15 0.00 -1.56 0.00 0.00 55.97 54.30 3dwg s LYS 40 Cb -0.14 -3.77 0.16 0.00 -1.46 0.00 0.00 37.83 32.61 3dwg s LYS 40 CO 0.02 -0.61 1.36 -0.51 0.16 0.00 0.00 175.35 175.78 3dwg s LEU 41 N 2.48 5.00 0.00 5.43 1.43 -0.34 -0.99 118.68 131.69 3dwg s LEU 41 Ca 0.21 -2.72 0.30 0.00 -1.03 0.00 0.00 54.13 50.88 3dwg s LEU 41 Cb -0.15 -2.41 1.64 0.00 0.03 0.00 0.00 46.19 45.30 3dwg s LEU 41 CO 0.13 -0.85 2.07 -0.62 0.23 0.00 0.00 176.35 177.31 3dwg n GLU 42 N 5.99 0.69 0.01 1.70 -0.58 -0.18 -2.26 120.64 126.02 3dwg n GLU 42 Ca 0.34 0.01 0.08 0.00 -0.42 0.00 0.00 57.16 57.17 3dwg n GLU 42 Cb 0.45 -1.50 0.36 0.00 -0.57 0.00 0.00 31.44 30.18 3dwg n GLU 42 CO 0.00 0.00 0.00 -0.40 -0.48 0.00 0.00 177.13 176.25 3dwg n ASP 43 N -1.13 0.07 -3.31 1.62 5.75 -1.21 -2.93 116.55 115.42 3dwg n ASP 43 Ca 0.18 0.52 -0.38 0.00 -0.01 0.00 0.00 54.79 55.10 3dwg n ASP 43 Cb 0.16 -0.53 -0.00 0.00 -1.03 0.00 0.00 41.12 39.72 3dwg n ASP 43 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 3dwg n ARG 44 N -1.58 4.31 -4.19 0.11 5.12 -0.96 -4.11 116.66 115.36 3dwg n ARG 44 Ca 0.04 -3.61 -0.12 0.00 -1.93 0.00 0.00 57.85 52.23 3dwg n ARG 44 Cb 0.20 -2.47 -0.10 0.00 -1.16 0.00 0.00 32.46 28.92 3dwg n ARG 44 CO 0.00 0.00 0.00 -0.80 -1.93 0.00 0.00 177.63 174.90 3dwg s ASN 45 N -0.23 1.33 0.28 0.55 0.01 -1.25 -4.59 114.94 111.04 3dwg s ASN 45 Ca 0.51 -0.99 -0.08 0.00 -0.71 0.00 0.00 52.86 51.58 3dwg s ASN 45 Cb 0.24 0.06 0.45 0.00 0.41 0.00 0.00 41.25 42.41 3dwg s ASN 45 CO -0.15 -0.41 1.56 -2.65 -1.51 0.00 0.00 177.10 173.93 3dwg n PRO 46 N -0.03 -0.09 -0.17 -0.60 -0.02 -1.26 -0.98 135.00 131.84 3dwg n PRO 46 Ca -0.12 1.56 0.08 0.00 -2.02 0.00 0.00 63.50 62.99 3dwg n PRO 46 Cb 0.60 -2.32 0.17 0.00 -0.02 0.00 0.00 33.50 31.93 3dwg n PRO 46 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 3dwg n THR 47 N -5.62 0.70 -0.45 3.45 -2.24 -1.26 -4.98 114.28 103.89 3dwg n THR 47 Ca 0.16 -0.85 0.00 0.00 -2.27 0.00 0.00 64.05 61.09 3dwg n THR 47 Cb 0.50 0.75 0.00 0.00 -2.10 0.00 0.00 70.33 69.47 3dwg n THR 47 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3dwg n GLY 48 N 0.90 0.78 3.49 3.38 0.00 -0.15 -4.98 105.19 108.61 3dwg n GLY 48 Ca 0.14 -0.45 -0.09 0.00 0.00 0.00 0.00 46.02 45.62 3dwg n GLY 48 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3dwg s SER 49 N -2.42 -0.15 0.62 1.61 1.04 -1.24 -3.98 113.70 109.18 3dwg s SER 49 Ca 0.00 -0.67 0.37 0.00 0.48 0.00 0.00 55.95 56.12 3dwg s SER 49 Cb 0.00 0.55 2.09 0.00 0.10 0.00 0.00 66.02 68.75 3dwg s SER 49 CO 0.00 -1.03 2.30 -0.29 0.98 0.00 0.00 173.24 175.20 3dwg h ILE 50 N 2.30 0.29 0.00 -1.02 2.10 -0.86 -2.49 117.51 117.82 3dwg h ILE 50 Ca -0.29 -0.03 0.00 0.00 1.08 0.00 0.00 64.86 65.63 3dwg h ILE 50 Cb 1.25 1.02 0.00 0.00 -1.09 0.00 0.00 36.82 38.00 3dwg h ILE 50 CO 0.39 0.00 0.00 0.29 -1.08 0.00 0.00 178.15 177.76 3dwg n LYS 51 N -3.49 0.12 0.17 2.19 4.76 -1.26 -1.71 118.16 118.93 3dwg n LYS 51 Ca -0.03 0.37 0.14 0.00 -2.87 0.00 0.00 58.31 55.92 3dwg n LYS 51 Cb 0.09 -1.73 0.71 0.00 -1.84 0.00 0.00 35.03 32.25 3dwg n LYS 51 CO 0.00 0.00 0.00 -0.44 -1.37 0.00 0.00 177.40 175.59 3dwg h ASP 52 N 0.00 0.00 0.44 4.39 3.32 -1.77 -1.00 116.42 121.80 3dwg h ASP 52 Ca 0.00 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.03 3dwg h ASP 52 Cb 0.30 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.85 3dwg h ASP 52 CO 0.00 0.00 -0.21 0.03 -1.72 0.00 0.00 179.24 177.34 3dwg h ARG 53 N 0.00 -0.57 -0.12 3.56 3.08 -1.59 -1.25 114.38 117.49 3dwg h ARG 53 Ca 0.09 0.04 -0.09 0.00 0.07 0.00 0.00 59.98 60.10 3dwg h ARG 53 Cb 0.40 0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.57 3dwg h ARG 53 CO -0.00 -0.30 -0.31 -1.00 -1.07 0.00 0.00 179.97 177.29 3dwg h PRO 54 N -1.08 0.23 -0.12 0.04 0.13 -1.73 -1.87 132.00 127.61 3dwg h PRO 54 Ca -0.06 -0.09 -0.02 0.00 -0.87 0.00 0.00 66.00 64.96 3dwg h PRO 54 Cb 0.53 -0.01 -0.00 0.00 0.13 0.00 0.00 31.00 31.64 3dwg h PRO 54 CO 0.10 0.53 0.01 0.00 -0.23 0.00 0.00 178.00 178.41 3dwg h ALA 55 N 1.47 0.16 -0.45 -0.56 0.00 -1.17 0.26 119.26 118.98 3dwg h ALA 55 Ca 0.03 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 3dwg h ALA 55 Cb 0.66 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 3dwg h ALA 55 CO 0.05 -0.16 0.24 0.28 0.00 0.00 0.00 179.25 179.66 3dwg h VAL 56 N -0.05 1.16 -0.38 0.00 2.07 -1.19 -1.07 116.25 116.80 3dwg h VAL 56 Ca 0.04 -0.42 -0.01 0.00 0.82 0.00 0.00 66.70 67.12 3dwg h VAL 56 Cb 0.34 0.63 -0.02 0.00 -1.52 0.00 0.00 31.29 30.72 3dwg h VAL 56 CO 0.00 0.17 0.19 -0.09 0.02 0.00 0.00 177.57 177.87 3dwg h ARG 57 N 0.58 0.54 -0.43 1.57 9.65 -1.19 -0.06 114.38 125.05 3dwg h ARG 57 Ca 0.16 -0.07 0.01 0.00 -1.10 0.00 0.00 59.98 58.98 3dwg h ARG 57 Cb 0.06 -0.10 -0.03 0.00 -1.39 0.00 0.00 29.97 28.52 3dwg h ARG 57 CO -0.02 0.47 0.27 0.52 2.80 0.00 0.00 179.97 184.00 3dwg h MET 58 N 0.48 0.52 -0.25 0.20 2.86 -0.34 0.47 114.93 118.87 3dwg h MET 58 Ca 0.13 -0.03 -0.01 0.00 -2.06 0.00 0.00 59.70 57.73 3dwg h MET 58 Cb 0.10 -0.12 -0.01 0.00 0.06 0.00 0.00 31.60 31.63 3dwg h MET 58 CO -0.02 0.35 0.13 0.82 1.06 0.00 0.00 176.91 179.25 3dwg h ILE 59 N 0.54 1.13 -0.53 -1.22 2.04 -0.95 -1.21 117.51 117.30 3dwg h ILE 59 Ca 0.16 -0.35 -0.10 0.00 1.00 0.00 0.00 64.86 65.58 3dwg h ILE 59 Cb -0.02 0.90 -0.02 0.00 -0.74 0.00 0.00 36.82 36.94 3dwg h ILE 59 CO -0.06 0.13 -0.07 -0.33 0.00 0.00 0.00 178.15 177.82 3dwg h GLU 60 N 0.28 0.97 -0.31 2.37 5.08 -0.81 0.22 114.58 122.39 3dwg h GLU 60 Ca 0.09 -0.33 0.00 0.00 -1.00 0.00 0.00 59.36 58.13 3dwg h GLU 60 Cb 0.08 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.24 3dwg h GLU 60 CO -0.01 0.99 0.20 0.37 -1.00 0.00 0.00 179.01 179.56 3dwg h GLN 61 N 0.87 0.40 -0.63 2.33 5.75 -0.88 0.44 115.11 123.39 3dwg h GLN 61 Ca 0.15 -0.02 -0.04 0.00 -0.15 0.00 0.00 58.65 58.58 3dwg h GLN 61 Cb 0.60 -0.09 -0.03 0.00 1.07 0.00 0.00 27.48 29.03 3dwg h GLN 61 CO 0.04 0.27 0.22 0.00 -2.65 0.00 0.00 178.83 176.70 3dwg h ALA 62 N 1.12 1.20 -0.35 3.38 0.00 -0.66 0.24 119.26 124.19 3dwg h ALA 62 Ca 0.11 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 3dwg h ALA 62 Cb -0.04 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.48 3dwg h ALA 62 CO -0.03 0.57 0.10 0.93 0.00 0.00 0.00 179.25 180.82 3dwg h GLU 63 N 0.92 0.55 -0.91 0.00 5.08 -0.32 0.54 114.58 120.44 3dwg h GLU 63 Ca 0.21 -0.12 0.02 0.00 -1.00 0.00 0.00 59.36 58.47 3dwg h GLU 63 Cb 0.23 -0.08 -0.05 0.00 0.50 0.00 0.00 28.75 29.35 3dwg h GLU 63 CO -0.01 0.59 0.60 0.00 -1.00 0.00 0.00 179.01 179.18 3dwg h ALA 64 N 0.94 1.39 0.00 3.43 0.00 -0.38 -1.44 119.26 123.20 3dwg h ALA 64 Ca 0.11 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.97 3dwg h ALA 64 Cb 0.27 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 17.71 3dwg h ALA 64 CO -0.00 0.55 0.00 -0.25 0.00 0.00 0.00 179.25 179.54 3dwg n ASP 65 N -4.42 0.18 -0.17 0.00 9.92 0.79 -4.90 116.55 117.95 3dwg n ASP 65 Ca 0.11 0.54 -0.02 0.00 -0.53 0.00 0.00 54.79 54.89 3dwg n ASP 65 Cb 0.06 -0.58 -0.01 0.00 -0.64 0.00 0.00 41.12 39.95 3dwg n ASP 65 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3dwg n GLY 66 N -0.01 0.56 0.08 0.44 0.00 -0.54 -4.94 105.19 100.79 3dwg n GLY 66 Ca 0.03 -0.58 -0.04 0.00 0.00 0.00 0.00 46.02 45.42 3dwg n GLY 66 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3dwg h LEU 67 N 0.00 0.00 -8.35 0.99 3.38 -1.12 -3.43 115.31 106.78 3dwg h LEU 67 Ca -0.04 0.00 -0.66 0.00 0.09 0.00 0.00 57.88 57.27 3dwg h LEU 67 Cb 0.20 0.00 -0.29 0.00 0.09 0.00 0.00 40.66 40.66 3dwg h LEU 67 CO 0.06 0.85 -0.73 -0.76 0.09 0.00 0.00 178.44 177.95 3dwg s LEU 68 N -6.52 2.88 0.23 1.67 1.43 -1.15 -4.92 118.68 112.30 3dwg s LEU 68 Ca 0.01 -0.46 0.04 0.00 -1.03 0.00 0.00 54.13 52.69 3dwg s LEU 68 Cb 0.09 -1.72 -0.05 0.00 0.03 0.00 0.00 46.19 44.54 3dwg s LEU 68 CO 0.80 -0.03 -0.03 -0.13 0.23 0.00 0.00 176.35 177.18 3dwg s ARG 69 N 1.45 1.34 0.23 1.70 0.52 -1.26 -4.64 118.95 118.30 3dwg s ARG 69 Ca 0.05 -1.66 -0.30 0.00 -0.52 0.00 0.00 55.73 53.30 3dwg s ARG 69 Cb -0.14 -0.74 -0.15 0.00 0.52 0.00 0.00 34.95 34.44 3dwg s ARG 69 CO -0.04 -0.03 1.13 -2.30 0.02 0.00 0.00 175.30 174.07 3dwg n PRO 70 N -0.42 1.37 -0.95 3.54 -0.02 -1.26 -1.31 135.00 135.95 3dwg n PRO 70 Ca -0.06 0.48 0.00 0.00 -2.02 0.00 0.00 63.50 61.90 3dwg n PRO 70 Cb 0.63 -1.95 0.00 0.00 -0.02 0.00 0.00 33.50 32.16 3dwg n PRO 70 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3dwg n GLY 71 N 1.68 0.86 3.68 -1.23 0.00 -0.89 -5.04 105.19 104.25 3dwg n GLY 71 Ca 0.12 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.79 3dwg n GLY 71 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dwg n ALA 72 N 1.00 0.37 -2.74 4.61 0.00 -0.43 -4.62 120.51 118.69 3dwg n ALA 72 Ca 0.00 -0.16 -0.35 0.00 0.00 0.00 0.00 53.44 52.93 3dwg n ALA 72 Cb 0.00 -2.24 -0.09 0.00 0.00 0.00 0.00 19.45 17.13 3dwg n ALA 72 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3dwg s THR 73 N -1.74 5.21 -0.16 0.00 2.01 -1.26 -0.94 115.64 118.75 3dwg s THR 73 Ca 0.77 0.12 -0.07 0.00 0.31 0.00 0.00 61.69 62.82 3dwg s THR 73 Cb -0.34 -3.39 -0.04 0.00 0.01 0.00 0.00 72.50 68.74 3dwg s THR 73 CO 0.46 0.42 0.08 -0.63 -0.69 0.00 0.00 174.62 174.26 3dwg s ILE 74 N 0.59 5.00 -0.10 1.82 1.01 0.10 -0.36 121.20 129.26 3dwg s ILE 74 Ca 0.07 0.03 0.04 0.00 0.00 0.00 0.00 60.65 60.79 3dwg s ILE 74 Cb -0.12 -3.23 0.00 0.00 0.01 0.00 0.00 42.46 39.12 3dwg s ILE 74 CO 0.01 0.50 -0.23 -0.22 0.00 0.00 0.00 174.94 175.00 3dwg s LEU 75 N -0.04 2.06 -0.11 2.97 2.96 0.05 -1.18 118.68 125.38 3dwg s LEU 75 Ca 0.07 -0.54 -0.07 0.00 -0.22 0.00 0.00 54.13 53.37 3dwg s LEU 75 Cb -0.12 -1.37 0.04 0.00 0.50 0.00 0.00 46.19 45.24 3dwg s LEU 75 CO 0.01 0.15 0.27 -0.70 -1.32 0.00 0.00 176.35 174.75 3dwg s GLU 76 N 0.39 0.25 0.12 1.98 2.56 -0.58 -3.93 118.70 119.49 3dwg s GLU 76 Ca -0.18 0.51 -0.29 0.00 0.00 0.00 0.00 54.97 55.02 3dwg s GLU 76 Cb -0.18 -0.04 -0.06 0.00 2.00 0.00 0.00 34.13 35.85 3dwg s GLU 76 CO 0.08 -0.13 0.90 -1.25 -0.56 0.00 0.00 175.26 174.31 3dwg s PRO 77 N 0.98 4.67 0.05 4.30 0.04 -1.26 -1.20 135.00 142.58 3dwg s PRO 77 Ca -0.07 1.36 -0.20 0.00 0.04 0.00 0.00 61.00 62.12 3dwg s PRO 77 Cb -0.08 -3.35 0.04 0.00 0.04 0.00 0.00 34.50 31.16 3dwg s PRO 77 CO -0.07 0.31 0.47 -0.08 0.04 0.00 0.00 177.00 177.67 3dwg s THR 78 N -0.30 0.04 -2.44 1.26 -1.32 -0.34 -4.83 115.64 107.71 3dwg s THR 78 Ca 0.43 -0.34 0.23 0.00 -1.21 0.00 0.00 61.69 60.80 3dwg s THR 78 Cb -0.23 -0.98 0.43 0.00 -1.51 0.00 0.00 72.50 70.21 3dwg s THR 78 CO 0.29 -0.19 1.43 -1.54 -2.21 0.00 0.00 174.62 172.39 3dwg n SER 79 N 0.39 3.16 0.00 8.08 3.41 -1.26 -4.10 113.62 123.29 3dwg n SER 79 Ca -0.18 -1.95 0.00 0.00 -0.26 0.00 0.00 58.87 56.48 3dwg n SER 79 Cb 0.60 -0.23 0.00 0.00 -0.26 0.00 0.00 64.21 64.33 3dwg n SER 79 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3dwg n GLY 80 N 1.45 3.28 0.15 5.00 0.00 -1.26 -4.90 105.19 108.91 3dwg n GLY 80 Ca 0.19 -0.56 -0.09 0.00 0.00 0.00 0.00 46.02 45.55 3dwg n GLY 80 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3dwg h ASN 81 N 0.00 0.39 -0.52 1.61 2.35 -1.93 0.28 115.58 117.75 3dwg h ASN 81 Ca 0.00 -0.10 -0.01 0.00 -0.55 0.00 0.00 56.30 55.64 3dwg h ASN 81 Cb 0.00 -0.10 -0.02 0.00 0.05 0.00 0.00 38.32 38.25 3dwg h ASN 81 CO 0.00 0.38 0.27 0.74 -1.65 0.00 0.00 177.43 177.17 3dwg h THR 82 N 0.37 1.19 -0.69 2.81 2.02 -1.94 -2.07 112.91 114.60 3dwg h THR 82 Ca 0.11 -0.49 -0.01 0.00 0.77 0.00 0.00 66.41 66.79 3dwg h THR 82 Cb 0.08 0.55 -0.03 0.00 -1.74 0.00 0.00 68.15 67.01 3dwg h THR 82 CO -0.02 0.20 0.41 1.23 0.37 0.00 0.00 175.52 177.72 3dwg h GLY 83 N 0.70 1.01 0.99 2.16 0.00 -1.81 0.18 103.07 106.30 3dwg h GLY 83 Ca 0.18 -0.43 -0.01 0.00 0.00 0.00 0.00 47.33 47.07 3dwg h GLY 83 CO -0.03 0.42 0.33 -2.22 0.00 0.00 0.00 176.54 175.04 3dwg h ILE 84 N 0.95 1.19 -0.41 2.60 2.04 -0.70 0.29 117.51 123.47 3dwg h ILE 84 Ca 0.25 -0.49 -0.03 0.00 1.00 0.00 0.00 64.86 65.59 3dwg h ILE 84 Cb -0.01 0.42 -0.02 0.00 -0.74 0.00 0.00 36.82 36.47 3dwg h ILE 84 CO -0.05 0.21 0.12 0.28 0.00 0.00 0.00 178.15 178.72 3dwg h SER 85 N 0.82 0.61 -0.10 1.72 0.02 -0.94 -1.82 113.55 113.85 3dwg h SER 85 Ca 0.21 -0.21 -0.07 0.00 -0.84 0.00 0.00 61.79 60.88 3dwg h SER 85 Cb 0.04 -0.16 -0.02 0.00 0.14 0.00 0.00 62.40 62.41 3dwg h SER 85 CO -0.03 0.66 -0.14 -0.07 -1.14 0.00 0.00 176.83 176.11 3dwg h LEU 86 N 0.52 0.44 -0.59 5.07 3.38 -0.50 -1.93 115.31 121.70 3dwg h LEU 86 Ca 0.13 -0.11 -0.08 0.00 0.09 0.00 0.00 57.88 57.91 3dwg h LEU 86 Cb 0.27 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.88 3dwg h LEU 86 CO -0.00 0.61 0.06 0.00 0.09 0.00 0.00 178.44 179.20 3dwg h ALA 87 N 1.44 0.79 0.15 1.53 0.00 0.01 0.30 119.26 123.47 3dwg h ALA 87 Ca 0.08 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 3dwg h ALA 87 Cb 0.49 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.06 3dwg h ALA 87 CO 0.03 0.58 -0.07 1.98 0.00 0.00 0.00 179.25 181.77 3dwg h MET 88 N 0.91 -0.19 -0.38 0.00 1.85 -1.19 -0.52 114.93 115.40 3dwg h MET 88 Ca 0.18 0.01 -0.08 0.00 -0.61 0.00 0.00 59.70 59.20 3dwg h MET 88 Cb 0.47 0.04 -0.02 0.00 0.43 0.00 0.00 31.60 32.53 3dwg h MET 88 CO 0.02 0.02 -0.10 0.00 -0.40 0.00 0.00 176.91 176.45 3dwg h ALA 89 N 0.44 1.12 -0.23 0.39 0.00 -1.19 -2.22 119.26 117.56 3dwg h ALA 89 Ca -0.02 -0.29 -0.15 0.00 0.00 0.00 0.00 54.91 54.45 3dwg h ALA 89 Cb 0.30 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 3dwg h ALA 89 CO 0.03 0.55 -0.47 0.00 0.00 0.00 0.00 179.25 179.37 3dwg h ALA 90 N 1.29 0.75 -0.81 0.00 0.00 -0.34 -0.53 119.26 119.62 3dwg h ALA 90 Ca 0.11 -0.47 -0.02 0.00 0.00 0.00 0.00 54.91 54.53 3dwg h ALA 90 Cb 0.53 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.18 3dwg h ALA 90 CO 0.03 0.67 0.44 -0.09 0.00 0.00 0.00 179.25 180.30 3dwg h ARG 91 N 0.48 1.13 0.00 0.00 9.65 -0.68 0.65 114.38 125.61 3dwg h ARG 91 Ca 0.03 -0.13 -0.16 0.00 -1.10 0.00 0.00 59.98 58.62 3dwg h ARG 91 Cb 1.00 -0.22 -0.02 0.00 -1.39 0.00 0.00 29.97 29.33 3dwg h ARG 91 CO 0.09 0.83 -0.76 -0.07 2.80 0.00 0.00 179.97 182.86 3dwg h LEU 92 N 1.12 0.00 -0.85 3.80 4.07 -1.03 -3.25 115.31 119.17 3dwg h LEU 92 Ca 0.28 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.24 3dwg h LEU 92 Cb 0.03 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.77 3dwg h LEU 92 CO -0.05 0.76 -0.40 0.29 -1.08 0.00 0.00 178.44 177.96 3dwg n LYS 93 N -3.44 1.11 -2.26 1.13 5.02 -0.24 -4.98 118.16 114.50 3dwg n LYS 93 Ca 0.00 -0.85 -0.02 0.00 -2.02 0.00 0.00 58.31 55.41 3dwg n LYS 93 Cb 0.79 -1.48 0.00 0.00 -0.02 0.00 0.00 35.03 34.32 3dwg n LYS 93 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3dwg n GLY 94 N 1.39 0.47 3.78 0.72 0.00 0.08 -4.82 105.19 106.82 3dwg n GLY 94 Ca 0.10 -0.71 -0.30 0.00 0.00 0.00 0.00 46.02 45.11 3dwg n GLY 94 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3dwg s TYR 95 N -2.46 3.20 0.22 1.61 2.02 -0.38 -2.11 117.35 119.46 3dwg s TYR 95 Ca 0.02 0.08 -0.18 0.00 -0.37 0.00 0.00 57.07 56.63 3dwg s TYR 95 Cb -0.01 -1.63 -0.08 0.00 -0.40 0.00 0.00 41.96 39.84 3dwg s TYR 95 CO 0.03 0.52 0.69 0.50 -1.57 0.00 0.00 175.55 175.72 3dwg s ARG 96 N -2.39 4.17 -0.06 -0.62 3.52 -0.12 -4.35 118.95 119.11 3dwg s ARG 96 Ca 0.29 0.77 0.03 0.00 -0.13 0.00 0.00 55.73 56.69 3dwg s ARG 96 Cb -0.12 -2.85 0.01 0.00 -1.56 0.00 0.00 34.95 30.43 3dwg s ARG 96 CO 0.22 0.39 -0.13 -1.17 -0.81 0.00 0.00 175.30 173.80 3dwg s LEU 97 N -2.07 1.71 -0.19 -0.88 2.96 -1.26 -0.73 118.68 118.22 3dwg s LEU 97 Ca 0.43 -0.29 -0.00 0.00 -0.22 0.00 0.00 54.13 54.05 3dwg s LEU 97 Cb -0.16 -0.81 0.01 0.00 0.50 0.00 0.00 46.19 45.74 3dwg s LEU 97 CO 0.20 0.06 -0.16 -0.63 -1.32 0.00 0.00 176.35 174.50 3dwg s ILE 98 N 0.49 2.38 -0.11 6.68 1.01 -0.33 -1.41 121.20 129.92 3dwg s ILE 98 Ca -0.11 -0.83 -0.03 0.00 0.00 0.00 0.00 60.65 59.68 3dwg s ILE 98 Cb -0.14 -2.02 -0.03 0.00 0.01 0.00 0.00 42.46 40.27 3dwg s ILE 98 CO 0.03 0.51 0.00 0.00 0.00 0.00 0.00 174.94 175.48 3dwg s VAL 100 N -0.53 4.78 -0.01 0.00 1.01 -0.34 -0.58 120.40 124.74 3dwg s VAL 100 Ca 0.09 -0.04 0.01 0.00 0.00 0.00 0.00 61.98 62.04 3dwg s VAL 100 Cb -0.12 -3.27 0.00 0.00 0.00 0.00 0.00 36.38 32.99 3dwg s VAL 100 CO 0.02 0.28 -0.03 -0.32 0.00 0.00 0.00 175.10 175.05 3dwg s MET 101 N 1.68 0.30 0.45 2.72 0.00 -0.23 -1.19 119.30 123.03 3dwg s MET 101 Ca 0.07 -0.10 -0.25 0.00 0.00 0.00 0.00 55.69 55.40 3dwg s MET 101 Cb -0.16 -0.31 -0.08 0.00 0.00 0.00 0.00 34.83 34.28 3dwg s MET 101 CO 0.07 0.05 1.40 -2.14 0.00 0.00 0.00 175.02 174.40 3dwg s PRO 102 N 0.08 3.71 0.58 4.11 0.02 -1.26 -0.97 135.00 141.26 3dwg s PRO 102 Ca -0.00 2.37 0.33 0.00 0.02 0.00 0.00 61.00 63.71 3dwg s PRO 102 Cb -0.03 -2.65 1.80 0.00 0.02 0.00 0.00 34.50 33.63 3dwg s PRO 102 CO -0.00 -0.78 2.20 1.05 -0.33 0.00 0.00 177.00 179.13 3dwg h GLU 103 N 2.34 0.00 -2.03 5.54 4.11 -1.24 -3.23 114.58 120.06 3dwg h GLU 103 Ca -0.51 0.00 -0.71 0.00 0.07 0.00 0.00 59.36 58.21 3dwg h GLU 103 Cb 1.26 0.00 -0.25 0.00 0.50 0.00 0.00 28.75 30.27 3dwg h GLU 103 CO 0.61 0.04 0.95 0.27 0.07 0.00 0.00 179.01 180.95 3dwg n ASN 104 N -3.54 7.31 -4.66 3.06 6.94 -1.26 -4.91 115.26 118.20 3dwg n ASN 104 Ca -0.02 -3.68 -0.24 0.00 -0.02 0.00 0.00 54.58 50.62 3dwg n ASN 104 Cb 0.15 -1.12 -0.08 0.00 -2.36 0.00 0.00 39.78 36.38 3dwg n ASN 104 CO 0.00 0.00 0.00 0.42 -1.03 0.00 0.00 177.26 176.65 3dwg s THR 105 N -4.35 2.82 0.45 5.53 -4.23 -1.22 -0.62 115.64 114.01 3dwg s THR 105 Ca 0.53 -1.89 -0.23 0.00 -1.18 0.00 0.00 61.69 58.91 3dwg s THR 105 Cb 0.41 -2.85 -0.08 0.00 1.34 0.00 0.00 72.50 71.32 3dwg s THR 105 CO -0.35 -0.21 1.15 -0.94 -0.54 0.00 0.00 174.62 173.73 3dwg s SER 106 N -3.75 6.25 0.45 3.99 1.04 -1.26 -4.88 113.70 115.54 3dwg s SER 106 Ca 0.35 2.28 0.14 0.00 0.48 0.00 0.00 55.95 59.20 3dwg s SER 106 Cb -0.01 -2.60 1.06 0.00 0.10 0.00 0.00 66.02 64.57 3dwg s SER 106 CO 0.20 -0.86 2.01 0.58 0.98 0.00 0.00 173.24 176.15 3dwg h VAL 107 N 1.93 0.92 -0.51 5.02 2.07 -1.96 -1.86 116.25 121.86 3dwg h VAL 107 Ca -0.49 -0.12 0.03 0.00 0.82 0.00 0.00 66.70 66.94 3dwg h VAL 107 Cb 1.24 0.54 -0.03 0.00 -1.52 0.00 0.00 31.29 31.52 3dwg h VAL 107 CO 0.60 0.06 0.34 -0.33 0.02 0.00 0.00 177.57 178.27 3dwg h GLU 108 N 0.35 0.55 -0.39 1.57 3.07 -1.90 0.17 114.58 118.00 3dwg h GLU 108 Ca 0.23 -0.03 -0.01 0.00 -0.50 0.00 0.00 59.36 59.04 3dwg h GLU 108 Cb 0.45 -0.12 -0.02 0.00 -0.84 0.00 0.00 28.75 28.22 3dwg h GLU 108 CO -0.06 0.36 0.19 0.00 -1.40 0.00 0.00 179.01 178.11 3dwg h ARG 109 N 0.57 0.55 -0.00 2.33 3.08 -1.62 -1.60 114.38 117.69 3dwg h ARG 109 Ca 0.20 -0.08 -0.13 0.00 0.07 0.00 0.00 59.98 60.05 3dwg h ARG 109 Cb 0.11 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.04 3dwg h ARG 109 CO -0.05 0.48 -0.62 0.07 -1.07 0.00 0.00 179.97 178.78 3dwg h ARG 110 N 0.49 0.01 -0.82 0.04 0.11 -1.18 -1.29 114.38 111.74 3dwg h ARG 110 Ca 0.13 -0.01 0.03 0.00 0.10 0.00 0.00 59.98 60.23 3dwg h ARG 110 Cb 0.10 0.00 -0.05 0.00 1.11 0.00 0.00 29.97 31.14 3dwg h ARG 110 CO -0.02 0.63 0.53 1.96 0.10 0.00 0.00 179.97 183.17 3dwg h GLN 111 N 0.01 1.01 -0.19 0.08 4.20 -0.85 0.21 115.11 119.59 3dwg h GLN 111 Ca -0.01 -0.06 -0.21 0.00 0.06 0.00 0.00 58.65 58.43 3dwg h GLN 111 Cb 1.10 -0.23 0.01 0.00 0.30 0.00 0.00 27.48 28.66 3dwg h GLN 111 CO 0.08 0.67 -0.72 -0.07 -0.67 0.00 0.00 178.83 178.13 3dwg h LEU 112 N 1.04 0.95 -0.49 1.46 -0.00 -0.90 -0.94 115.31 116.44 3dwg h LEU 112 Ca 0.32 -0.59 0.02 0.00 -0.00 0.00 0.00 57.88 57.63 3dwg h LEU 112 Cb -0.03 -0.28 -0.03 0.00 -0.00 0.00 0.00 40.66 40.33 3dwg h LEU 112 CO -0.10 1.39 0.30 -0.07 -0.00 0.00 0.00 178.44 179.96 3dwg h LEU 113 N 0.57 0.50 -0.57 1.67 3.38 -1.00 -1.42 115.31 118.45 3dwg h LEU 113 Ca -0.03 -0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.89 3dwg h LEU 113 Cb 1.34 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.96 3dwg h LEU 113 CO 0.15 0.35 0.17 -0.33 0.09 0.00 0.00 178.44 178.87 3dwg h GLU 114 N 0.60 0.88 -0.92 1.13 5.08 -0.82 -0.61 114.58 119.92 3dwg h GLU 114 Ca 0.19 -0.19 0.05 0.00 -1.00 0.00 0.00 59.36 58.41 3dwg h GLU 114 Cb -0.01 -0.13 -0.06 0.00 0.50 0.00 0.00 28.75 29.05 3dwg h GLU 114 CO -0.07 0.80 0.59 1.25 -1.00 0.00 0.00 179.01 180.58 3dwg h LEU 115 N 0.79 0.95 -0.06 1.33 5.85 -0.77 -1.52 115.31 121.88 3dwg h LEU 115 Ca 0.18 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.91 3dwg h LEU 115 Cb 0.29 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 41.13 3dwg h LEU 115 CO -0.00 0.62 -0.03 -1.22 -0.34 0.00 0.00 178.44 177.47 3dwg n TYR 116 N -4.55 0.00 -1.25 1.25 4.01 -0.57 -4.93 117.16 111.13 3dwg n TYR 116 Ca 0.13 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.87 3dwg n TYR 116 Cb 0.15 -0.21 0.00 0.00 -0.31 0.00 0.00 39.34 38.97 3dwg n TYR 116 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3dwg n GLY 117 N 1.24 0.63 3.80 2.72 0.00 -0.57 -4.72 105.19 108.29 3dwg n GLY 117 Ca 0.16 -0.77 -0.37 0.00 0.00 0.00 0.00 46.02 45.04 3dwg n GLY 117 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dwg s ALA 118 N -2.00 3.37 0.26 4.61 0.00 -0.30 -4.74 121.76 122.97 3dwg s ALA 118 Ca 0.00 0.27 -0.29 0.00 0.00 0.00 0.00 51.96 51.94 3dwg s ALA 118 Cb 0.00 -2.92 -0.09 0.00 0.00 0.00 0.00 23.12 20.11 3dwg s ALA 118 CO 0.00 0.29 0.94 -1.14 0.00 0.00 0.00 175.76 175.85 3dwg s GLN 119 N -1.92 4.78 -0.14 0.00 0.74 -0.50 -4.45 119.66 118.18 3dwg s GLN 119 Ca 0.44 1.44 -0.02 0.00 0.05 0.00 0.00 55.36 57.28 3dwg s GLN 119 Cb -0.18 -3.15 -0.02 0.00 1.10 0.00 0.00 33.01 30.76 3dwg s GLN 119 CO 0.22 0.46 -0.09 0.42 -0.55 0.00 0.00 175.29 175.74 3dwg s ILE 120 N -1.30 3.38 -0.42 -2.34 1.01 -1.26 -0.95 121.20 119.34 3dwg s ILE 120 Ca 0.43 -0.54 -0.13 0.00 0.00 0.00 0.00 60.65 60.41 3dwg s ILE 120 Cb -0.24 -2.45 0.04 0.00 0.01 0.00 0.00 42.46 39.82 3dwg s ILE 120 CO 0.30 0.51 0.29 -0.63 0.00 0.00 0.00 174.94 175.41 3dwg s ILE 121 N 0.36 4.90 -0.15 2.92 1.01 0.26 -4.97 121.20 125.53 3dwg s ILE 121 Ca -0.08 -0.93 -0.29 0.00 0.00 0.00 0.00 60.65 59.35 3dwg s ILE 121 Cb -0.15 -3.82 -0.01 0.00 0.01 0.00 0.00 42.46 38.49 3dwg s ILE 121 CO 0.05 -0.38 0.99 -0.36 0.00 0.00 0.00 174.94 175.23 3dwg s PHE 122 N 1.60 3.45 0.24 3.97 0.08 -1.26 -1.06 117.98 125.00 3dwg s PHE 122 Ca 0.04 1.51 0.01 0.00 0.12 0.00 0.00 56.93 58.61 3dwg s PHE 122 Cb -0.21 -3.19 -0.04 0.00 -0.57 0.00 0.00 43.02 39.02 3dwg s PHE 122 CO 0.07 -0.30 0.42 -1.54 -0.10 0.00 0.00 175.22 173.77 3dwg s SER 123 N 1.13 6.35 0.55 1.36 1.04 -0.14 -4.82 113.70 119.17 3dwg s SER 123 Ca 0.46 0.34 -0.22 0.00 0.48 0.00 0.00 55.95 57.01 3dwg s SER 123 Cb -0.17 -1.98 -0.05 0.00 0.10 0.00 0.00 66.02 63.92 3dwg s SER 123 CO 0.14 -0.11 1.36 0.00 0.98 0.00 0.00 173.24 175.61 3dwg n ALA 124 N -1.07 1.58 -0.07 5.32 0.00 -1.26 -0.79 120.51 124.23 3dwg n ALA 124 Ca -0.06 0.12 -0.02 0.00 0.00 0.00 0.00 53.44 53.49 3dwg n ALA 124 Cb 0.55 -2.36 0.24 0.00 0.00 0.00 0.00 19.45 17.88 3dwg n ALA 124 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3dwg h ALA 125 N 1.38 1.27 -2.47 0.00 0.00 -1.95 -3.40 119.26 114.09 3dwg h ALA 125 Ca -0.51 -0.21 -0.53 0.00 0.00 0.00 0.00 54.91 53.66 3dwg h ALA 125 Cb 1.31 -0.18 0.02 0.00 0.00 0.00 0.00 17.79 18.94 3dwg h ALA 125 CO 0.57 0.50 0.94 -1.21 0.00 0.00 0.00 179.25 180.05 3dwg s GLU 126 N -5.07 4.22 0.00 0.00 2.02 -1.26 -1.70 118.70 116.91 3dwg s GLU 126 Ca -0.09 2.28 0.00 0.00 0.02 0.00 0.00 54.97 57.18 3dwg s GLU 126 Cb 0.15 -3.50 0.00 0.00 0.10 0.00 0.00 34.13 30.88 3dwg s GLU 126 CO 0.78 -0.68 0.00 0.41 0.02 0.00 0.00 175.26 175.80 3dwg n GLY 127 N 3.89 1.05 7.00 -1.39 0.00 0.04 -4.69 105.19 111.08 3dwg n GLY 127 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 3dwg n GLY 127 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dwg n GLY 128 N -2.00 2.84 0.30 -0.02 0.00 -0.69 -0.97 105.19 104.66 3dwg n GLY 128 Ca 0.00 -0.18 0.18 0.00 0.00 0.00 0.00 46.02 46.02 3dwg n GLY 128 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3dwg h SER 129 N 2.85 0.00 -0.83 1.61 0.02 -1.93 -2.13 113.55 113.13 3dwg h SER 129 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3dwg h SER 129 Cb 0.00 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 62.50 3dwg h SER 129 CO 0.00 0.02 0.54 0.78 -1.14 0.00 0.00 176.83 177.03 3dwg h ASN 130 N 0.00 0.96 -0.28 3.07 4.21 -1.44 0.10 115.58 122.21 3dwg h ASN 130 Ca -0.00 -0.04 -0.16 0.00 1.21 0.00 0.00 56.30 57.32 3dwg h ASN 130 Cb 0.30 -0.24 -0.00 0.00 -1.12 0.00 0.00 38.32 37.26 3dwg h ASN 130 CO 0.00 0.71 -0.43 0.74 -1.29 0.00 0.00 177.43 177.16 3dwg h THR 131 N 1.13 1.29 -0.52 2.81 2.02 -1.37 -0.82 112.91 117.45 3dwg h THR 131 Ca 0.30 -1.62 -0.02 0.00 0.77 0.00 0.00 66.41 65.84 3dwg h THR 131 Cb -0.11 1.64 -0.02 0.00 -1.74 0.00 0.00 68.15 67.92 3dwg h THR 131 CO -0.06 0.52 0.24 0.00 0.37 0.00 0.00 175.52 176.59 3dwg h ALA 132 N 0.68 0.67 -0.39 6.16 0.00 -1.38 -1.11 119.26 123.88 3dwg h ALA 132 Ca 0.03 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 3dwg h ALA 132 Cb 1.03 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.60 3dwg h ALA 132 CO 0.10 0.24 0.23 0.28 0.00 0.00 0.00 179.25 180.10 3dwg h VAL 133 N 0.69 1.13 -0.74 0.00 2.07 -0.66 0.36 116.25 119.10 3dwg h VAL 133 Ca 0.18 -0.31 -0.02 0.00 0.82 0.00 0.00 66.70 67.36 3dwg h VAL 133 Cb 0.13 0.64 -0.03 0.00 -1.52 0.00 0.00 31.29 30.50 3dwg h VAL 133 CO -0.02 0.13 0.40 0.00 0.02 0.00 0.00 177.57 178.10 3dwg h ALA 134 N 1.10 0.95 -0.18 1.67 0.00 -0.98 0.05 119.26 121.88 3dwg h ALA 134 Ca 0.14 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 3dwg h ALA 134 Cb 0.01 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 3dwg h ALA 134 CO -0.03 0.48 0.04 1.15 0.00 0.00 0.00 179.25 180.89 3dwg h THR 135 N 1.03 1.21 -0.51 0.00 2.02 -0.99 -2.00 112.91 113.67 3dwg h THR 135 Ca 0.26 -0.66 0.02 0.00 0.77 0.00 0.00 66.41 66.80 3dwg h THR 135 Cb 0.05 1.31 -0.03 0.00 -1.74 0.00 0.00 68.15 67.74 3dwg h THR 135 CO -0.04 0.20 0.31 0.00 0.37 0.00 0.00 175.52 176.36 3dwg h ALA 136 N 0.85 0.65 -0.65 6.16 0.00 -0.65 -1.61 119.26 124.00 3dwg h ALA 136 Ca 0.05 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 3dwg h ALA 136 Cb 0.27 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 3dwg h ALA 136 CO 0.00 0.03 0.38 0.87 0.00 0.00 0.00 179.25 180.53 3dwg h LYS 137 N 0.63 0.88 -0.20 0.00 1.57 -0.76 0.14 116.57 118.81 3dwg h LYS 137 Ca 0.20 -0.08 -0.03 0.00 -1.87 0.00 0.00 60.65 58.87 3dwg h LYS 137 Cb -0.01 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.11 3dwg h LYS 137 CO -0.08 0.62 0.01 0.93 -0.57 0.00 0.00 179.45 180.36 3dwg h GLU 138 N 0.89 0.35 -0.86 3.15 5.08 -0.96 -1.34 114.58 120.89 3dwg h GLU 138 Ca 0.23 -0.11 -0.03 0.00 -1.00 0.00 0.00 59.36 58.45 3dwg h GLU 138 Cb -0.02 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.15 3dwg h GLU 138 CO -0.04 0.54 0.41 -0.07 -1.00 0.00 0.00 179.01 178.84 3dwg h LEU 139 N 0.12 1.12 -0.75 1.33 3.38 -0.76 -1.56 115.31 118.18 3dwg h LEU 139 Ca 0.06 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 57.89 3dwg h LEU 139 Cb 0.37 -0.29 -0.04 0.00 0.09 0.00 0.00 40.66 40.80 3dwg h LEU 139 CO 0.01 0.94 0.48 0.00 0.09 0.00 0.00 178.44 179.96 3dwg h ALA 140 N 1.22 0.95 -0.47 1.53 0.00 -0.62 -1.58 119.26 120.29 3dwg h ALA 140 Ca 0.29 -0.07 -0.10 0.00 0.00 0.00 0.00 54.91 55.04 3dwg h ALA 140 Cb 0.12 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 3dwg h ALA 140 CO -0.04 0.40 -0.10 0.00 0.00 0.00 0.00 179.25 179.51 3dwg h ALA 141 N 1.26 0.94 -0.04 0.00 0.00 -0.79 -2.71 119.26 117.92 3dwg h ALA 141 Ca 0.27 -0.32 -0.13 0.00 0.00 0.00 0.00 54.91 54.73 3dwg h ALA 141 Cb -0.08 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 3dwg h ALA 141 CO -0.06 0.62 -0.58 1.15 0.00 0.00 0.00 179.25 180.39 3dwg h THR 142 N 0.77 1.40 -2.38 0.00 2.02 -1.06 -3.36 112.91 110.29 3dwg h THR 142 Ca 0.13 -1.96 -0.60 0.00 0.77 0.00 0.00 66.41 64.75 3dwg h THR 142 Cb 0.60 2.02 -0.41 0.00 -1.74 0.00 0.00 68.15 68.62 3dwg h THR 142 CO 0.04 0.57 -0.73 0.59 0.37 0.00 0.00 175.52 176.36 3dwg n ASN 143 N -3.87 2.46 0.28 4.18 3.02 -0.61 -4.95 115.26 115.77 3dwg n ASN 143 Ca -0.02 -3.14 0.19 0.00 -0.03 0.00 0.00 54.58 51.59 3dwg n ASN 143 Cb 0.59 -0.67 0.96 0.00 -0.61 0.00 0.00 39.78 40.05 3dwg n ASN 143 CO 0.00 0.00 0.00 1.55 -2.62 0.00 0.00 177.26 176.19 3dwg h PRO 144 N 4.57 0.00 0.00 3.52 0.13 -1.70 -1.55 132.00 136.97 3dwg h PRO 144 Ca 0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 3dwg h PRO 144 Cb 0.75 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.88 3dwg h PRO 144 CO 0.69 0.00 0.00 0.66 -0.23 0.00 0.00 178.00 179.12 3dwg h SER 145 N 0.00 0.00 -4.30 1.44 4.64 -1.93 -3.44 113.55 109.96 3dwg h SER 145 Ca 0.00 0.00 -0.51 0.00 -0.47 0.00 0.00 61.79 60.81 3dwg h SER 145 Cb 0.13 0.00 0.09 0.00 -0.31 0.00 0.00 62.40 62.31 3dwg h SER 145 CO 0.00 0.00 0.37 0.26 -0.87 0.00 0.00 176.83 176.59 3dwg s TRP 146 N -3.55 3.03 -0.35 4.77 0.51 -0.59 -4.74 118.94 118.02 3dwg s TRP 146 Ca 0.03 1.46 -0.09 0.00 -2.12 0.00 0.00 56.10 55.37 3dwg s TRP 146 Cb 0.08 -2.93 0.03 0.00 -0.81 0.00 0.00 33.47 29.85 3dwg s TRP 146 CO 0.55 -1.26 0.15 0.08 -0.51 0.00 0.00 176.95 175.96 3dwg s VAL 147 N -2.89 4.22 -0.47 4.03 1.01 0.51 -4.96 120.40 121.85 3dwg s VAL 147 Ca 0.60 -0.93 -0.16 0.00 0.00 0.00 0.00 61.98 61.48 3dwg s VAL 147 Cb -0.15 -3.34 0.07 0.00 0.00 0.00 0.00 36.38 32.95 3dwg s VAL 147 CO 0.51 -0.17 0.43 -0.32 0.00 0.00 0.00 175.10 175.55 3dwg s MET 148 N 1.49 3.01 0.29 2.72 1.75 -1.26 -0.77 119.30 126.53 3dwg s MET 148 Ca 0.01 -1.24 0.00 0.00 -1.25 0.00 0.00 55.69 53.21 3dwg s MET 148 Cb -0.19 -4.12 0.43 0.00 2.84 0.00 0.00 34.83 33.79 3dwg s MET 148 CO 0.05 -1.05 1.81 -0.07 -0.65 0.00 0.00 175.02 175.11 3dwg h LEU 149 N 8.93 0.67 -2.57 4.11 3.38 -1.97 -3.48 115.31 124.37 3dwg h LEU 149 Ca -0.28 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 57.54 3dwg h LEU 149 Cb 1.11 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.68 3dwg h LEU 149 CO 0.89 0.73 -0.28 0.00 0.09 0.00 0.00 178.44 179.86 3dwg n TYR 150 N -4.24 -2.08 0.31 1.13 -0.00 -1.26 -4.49 117.16 106.52 3dwg n TYR 150 Ca 0.02 0.84 0.20 0.00 -0.00 0.00 0.00 57.90 58.96 3dwg n TYR 150 Cb 0.27 -3.06 0.97 0.00 -0.00 0.00 0.00 39.34 37.52 3dwg n TYR 150 CO 0.00 0.00 0.00 -0.56 -0.00 0.00 0.00 176.86 176.30 3dwg h GLN 151 N 1.14 0.00 0.00 2.98 3.07 -1.92 -0.29 115.11 120.08 3dwg h GLN 151 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 3dwg h GLN 151 Cb 0.63 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.19 3dwg h GLN 151 CO 0.12 0.01 0.00 0.66 0.09 0.00 0.00 178.83 179.72 3dwg n TYR 152 N -3.16 0.58 0.00 0.06 4.01 -1.26 -4.11 117.16 113.28 3dwg n TYR 152 Ca -0.02 0.18 0.00 0.00 -0.16 0.00 0.00 57.90 57.90 3dwg n TYR 152 Cb 0.17 -0.79 0.00 0.00 -0.31 0.00 0.00 39.34 38.41 3dwg n TYR 152 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3dwg n GLY 153 N 1.12 0.97 3.63 2.72 0.00 -0.63 -1.94 105.19 111.06 3dwg n GLY 153 Ca 0.05 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.65 3dwg n GLY 153 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3dwg s ASN 154 N -0.32 6.86 0.27 1.61 3.84 -0.22 -4.72 114.94 122.27 3dwg s ASN 154 Ca 0.00 0.95 0.21 0.00 0.21 0.00 0.00 52.86 54.23 3dwg s ASN 154 Cb 0.00 -2.50 1.03 0.00 -0.55 0.00 0.00 41.25 39.23 3dwg s ASN 154 CO 0.00 -0.77 1.64 -0.81 -2.79 0.00 0.00 177.10 174.37 3dwg n PRO 155 N 6.59 0.15 0.23 0.43 -0.04 -1.26 -0.99 135.00 140.11 3dwg n PRO 155 Ca 0.09 0.55 0.07 0.00 -0.04 0.00 0.00 63.50 64.17 3dwg n PRO 155 Cb 0.47 -1.89 0.56 0.00 -0.04 0.00 0.00 33.50 32.59 3dwg n PRO 155 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3dwg h ALA 156 N 2.11 1.58 0.59 0.55 0.00 -1.93 0.14 119.26 122.29 3dwg h ALA 156 Ca 0.00 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.73 3dwg h ALA 156 Cb 0.14 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 3dwg h ALA 156 CO 0.00 0.22 -0.39 -0.97 0.00 0.00 0.00 179.25 178.10 3dwg h ASN 157 N 0.00 -1.01 -0.60 0.00 -0.73 -1.34 -2.05 115.58 109.86 3dwg h ASN 157 Ca -0.00 0.06 0.04 0.00 1.87 0.00 0.00 56.30 58.27 3dwg h ASN 157 Cb 0.34 0.30 -0.05 0.00 0.27 0.00 0.00 38.32 39.18 3dwg h ASN 157 CO 0.02 -0.60 0.34 0.71 -0.37 0.00 0.00 177.43 177.54 3dwg h THR 158 N -0.95 1.01 -1.00 -3.57 1.35 -1.61 -1.87 112.91 106.28 3dwg h THR 158 Ca -0.07 -0.23 0.21 0.00 -0.55 0.00 0.00 66.41 65.77 3dwg h THR 158 Cb 0.78 0.29 -0.11 0.00 -1.73 0.00 0.00 68.15 67.38 3dwg h THR 158 CO 0.05 0.12 0.61 0.44 -0.25 0.00 0.00 175.52 176.50 3dwg h ASP 159 N 0.66 0.71 0.11 5.36 3.32 -0.70 0.11 116.42 126.00 3dwg h ASP 159 Ca 0.26 0.10 -0.03 0.00 0.02 0.00 0.00 57.03 57.38 3dwg h ASP 159 Cb 0.10 -0.03 -0.00 0.00 0.22 0.00 0.00 39.33 39.62 3dwg h ASP 159 CO -0.14 0.22 -0.12 0.77 -1.72 0.00 0.00 179.24 178.25 3dwg h SER 160 N 0.67 0.03 0.23 6.45 4.64 -0.58 0.71 113.55 125.70 3dwg h SER 160 Ca 0.58 -0.00 -0.34 0.00 -0.47 0.00 0.00 61.79 61.56 3dwg h SER 160 Cb 1.03 -0.01 -0.01 0.00 -0.31 0.00 0.00 62.40 63.10 3dwg h SER 160 CO -0.38 0.15 -1.84 0.45 -0.87 0.00 0.00 176.83 174.35 3dwg h HIS 161 N 0.03 0.47 -0.47 4.77 3.86 -1.26 -1.77 115.15 120.77 3dwg h HIS 161 Ca 0.01 -0.34 -0.07 0.00 -1.16 0.00 0.00 60.37 58.80 3dwg h HIS 161 Cb 0.24 -0.02 -0.02 0.00 1.06 0.00 0.00 27.41 28.67 3dwg h HIS 161 CO 0.00 1.61 0.01 -0.92 0.86 0.00 0.00 177.93 179.49 3dwg h TYR 162 N 0.07 0.82 0.00 2.45 5.03 -0.59 0.11 116.97 124.86 3dwg h TYR 162 Ca -0.36 -0.11 0.00 0.00 2.58 0.00 0.00 58.73 60.84 3dwg h TYR 162 Cb 2.05 -0.23 0.00 0.00 1.55 0.00 0.00 36.73 40.10 3dwg h TYR 162 CO 0.07 0.76 -0.81 0.00 -1.32 0.00 0.00 178.16 176.86 3dwg n GLY 164 N 1.44 0.20 0.15 0.00 0.00 -0.67 -4.70 105.19 101.62 3dwg n GLY 164 Ca 0.04 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.99 3dwg n GLY 164 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3dwg h THR 165 N 0.00 0.94 0.76 2.61 2.02 -1.56 -1.38 112.91 116.30 3dwg h THR 165 Ca 0.00 -0.10 -0.04 0.00 0.77 0.00 0.00 66.41 67.04 3dwg h THR 165 Cb 0.00 0.62 0.01 0.00 -1.74 0.00 0.00 68.15 67.04 3dwg h THR 165 CO 0.00 0.05 -0.37 1.23 0.37 0.00 0.00 175.52 176.81 3dwg h GLY 166 N 0.29 -1.07 0.33 2.16 0.00 -1.03 -1.72 103.07 102.04 3dwg h GLY 166 Ca 0.15 0.40 0.13 0.00 0.00 0.00 0.00 47.33 48.01 3dwg h GLY 166 CO -0.13 -0.39 0.49 -2.55 0.00 0.00 0.00 176.54 173.96 3dwg h PRO 167 N -1.11 0.72 -0.44 4.80 0.11 -1.71 -1.21 132.00 133.15 3dwg h PRO 167 Ca -0.10 -0.04 -0.09 0.00 0.11 0.00 0.00 66.00 65.87 3dwg h PRO 167 Cb 0.80 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 31.74 3dwg h PRO 167 CO 0.17 0.48 -0.08 0.93 -0.21 0.00 0.00 178.00 179.29 3dwg h GLU 168 N 0.74 0.83 -0.60 1.05 5.08 -1.17 -0.33 114.58 120.18 3dwg h GLU 168 Ca 0.46 -0.30 -0.00 0.00 -1.00 0.00 0.00 59.36 58.52 3dwg h GLU 168 Cb 0.57 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.74 3dwg h GLU 168 CO -0.32 0.93 0.36 1.25 -1.00 0.00 0.00 179.01 180.23 3dwg h LEU 169 N 0.66 0.72 -0.41 1.33 5.85 -0.83 -1.69 115.31 120.93 3dwg h LEU 169 Ca 0.11 -0.06 -0.11 0.00 0.84 0.00 0.00 57.88 58.67 3dwg h LEU 169 Cb 0.61 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.44 3dwg h LEU 169 CO 0.04 0.56 -0.17 0.25 -0.34 0.00 0.00 178.44 178.78 3dwg h LEU 170 N 0.81 0.87 -1.12 2.25 5.85 -1.05 0.22 115.31 123.15 3dwg h LEU 170 Ca 0.22 -0.39 0.03 0.00 0.84 0.00 0.00 57.88 58.57 3dwg h LEU 170 Cb -0.03 -0.24 -0.05 0.00 0.37 0.00 0.00 40.66 40.71 3dwg h LEU 170 CO -0.04 1.07 0.60 0.00 -0.34 0.00 0.00 178.44 179.73 3dwg h ALA 171 N 0.83 1.41 0.00 1.25 0.00 -0.88 -2.62 119.26 119.25 3dwg h ALA 171 Ca 0.10 -0.05 -0.11 0.00 0.00 0.00 0.00 54.91 54.84 3dwg h ALA 171 Cb 0.73 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 3dwg h ALA 171 CO 0.06 0.51 -0.80 -0.44 0.00 0.00 0.00 179.25 178.58 3dwg h ASP 172 N 1.16 0.00 -2.01 0.00 3.32 -0.95 -3.41 116.42 114.53 3dwg h ASP 172 Ca 0.36 0.00 -0.51 0.00 0.02 0.00 0.00 57.03 56.90 3dwg h ASP 172 Cb -0.02 0.00 -0.40 0.00 0.22 0.00 0.00 39.33 39.14 3dwg h ASP 172 CO -0.10 0.47 -1.14 -0.11 -1.72 0.00 0.00 179.24 176.64 3dwg n LEU 173 N -3.08 0.79 0.22 1.55 7.94 0.75 -4.94 117.00 120.24 3dwg n LEU 173 Ca -0.02 -4.94 0.15 0.00 -1.11 0.00 0.00 56.01 50.10 3dwg n LEU 173 Cb 0.75 0.63 0.77 0.00 0.53 0.00 0.00 43.42 46.10 3dwg n LEU 173 CO 0.41 2.22 0.95 1.55 -1.11 0.00 0.00 177.39 181.41 3dwg h PRO 174 N 3.33 0.00 -0.10 1.96 0.13 -1.70 -0.62 132.00 135.01 3dwg h PRO 174 Ca 0.09 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.22 3dwg h PRO 174 Cb 0.92 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.05 3dwg h PRO 174 CO 0.50 0.00 0.00 -0.85 -0.23 0.00 0.00 178.00 177.42 3dwg n GLU 175 N -2.57 1.35 -1.65 0.86 0.00 -1.26 -4.96 120.64 112.41 3dwg n GLU 175 Ca -0.01 -0.53 -0.45 0.00 0.00 0.00 0.00 57.16 56.17 3dwg n GLU 175 Cb 0.10 -1.29 -0.02 0.00 0.00 0.00 0.00 31.44 30.22 3dwg n GLU 175 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.13 178.64 3dwg n ILE 176 N -0.22 1.21 -0.02 3.84 3.06 -0.24 -4.53 119.36 122.46 3dwg n ILE 176 Ca 0.13 -0.30 -0.02 0.00 -2.50 0.00 0.00 62.75 60.06 3dwg n ILE 176 Cb 0.18 -1.34 -0.05 0.00 0.54 0.00 0.00 39.64 38.96 3dwg n ILE 176 CO 0.00 0.00 0.00 0.35 -2.50 0.00 0.00 176.55 174.40 3dwg n THR 177 N 1.42 0.33 -3.85 9.51 -2.24 0.12 -4.82 114.28 114.76 3dwg n THR 177 Ca 0.11 -0.24 -0.12 0.00 -2.27 0.00 0.00 64.05 61.53 3dwg n THR 177 Cb 0.31 -0.54 -0.10 0.00 -2.10 0.00 0.00 70.33 67.90 3dwg n THR 177 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 3dwg s HIS 178 N -2.24 -0.02 -0.10 4.78 3.76 -1.05 -1.12 115.29 119.31 3dwg s HIS 178 Ca -0.03 -0.01 0.02 0.00 -0.15 0.00 0.00 55.06 54.89 3dwg s HIS 178 Cb 0.03 -0.01 0.01 0.00 1.11 0.00 0.00 32.58 33.72 3dwg s HIS 178 CO 0.27 -0.29 -0.15 0.12 -0.85 0.00 0.00 174.74 173.83 3dwg s PHE 179 N -1.27 1.89 -0.10 1.40 2.19 0.03 -1.45 117.98 120.67 3dwg s PHE 179 Ca -0.13 -0.83 0.03 0.00 0.33 0.00 0.00 56.93 56.33 3dwg s PHE 179 Cb -0.07 -1.36 -0.01 0.00 -1.31 0.00 0.00 43.02 40.28 3dwg s PHE 179 CO 0.02 -0.42 -0.21 0.08 1.83 0.00 0.00 175.22 176.52 3dwg s VAL 180 N 0.84 2.31 0.29 3.12 1.01 0.47 -0.35 120.40 128.07 3dwg s VAL 180 Ca -0.10 -0.94 -0.07 0.00 0.00 0.00 0.00 61.98 60.87 3dwg s VAL 180 Cb -0.15 -1.90 -0.00 0.00 0.00 0.00 0.00 36.38 34.32 3dwg s VAL 180 CO 0.01 0.55 0.45 0.00 0.00 0.00 0.00 175.10 176.11 3dwg s ALA 181 N 0.24 0.30 1.08 5.51 0.00 -0.90 -1.61 121.76 126.39 3dwg s ALA 181 Ca -0.14 -1.22 -0.17 0.00 0.00 0.00 0.00 51.96 50.42 3dwg s ALA 181 Cb -0.17 1.12 0.24 0.00 0.00 0.00 0.00 23.12 24.32 3dwg s ALA 181 CO 0.07 -0.80 1.20 0.20 0.00 0.00 0.00 175.76 176.43 3dwg s GLY 182 N -3.12 1.67 -0.26 0.00 0.00 -1.26 -0.87 107.32 103.47 3dwg s GLY 182 Ca 0.27 -1.04 -0.03 0.00 0.00 0.00 0.00 44.72 43.93 3dwg s GLY 182 CO 0.14 -0.22 0.21 -2.27 0.00 0.00 0.00 173.10 170.96 3dwg s LEU 183 N -6.44 0.08 0.00 0.66 2.96 -1.24 -4.59 118.68 110.12 3dwg s LEU 183 Ca 0.72 -0.80 0.00 0.00 -0.22 0.00 0.00 54.13 53.83 3dwg s LEU 183 Cb -0.07 0.16 0.00 0.00 0.50 0.00 0.00 46.19 46.77 3dwg s LEU 183 CO 0.55 -0.39 0.00 0.61 -1.32 0.00 0.00 176.35 175.80 3dwg n GLY 184 N 5.29 0.37 0.22 7.98 0.00 -1.26 -4.75 105.19 113.05 3dwg n GLY 184 Ca -0.04 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.12 3dwg n GLY 184 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3dwg h THR 185 N 0.00 0.00 0.00 2.61 1.35 -1.95 -3.46 112.91 111.45 3dwg h THR 185 Ca 0.00 -0.57 0.00 0.00 -0.55 0.00 0.00 66.41 65.29 3dwg h THR 185 Cb 0.00 1.52 0.00 0.00 -1.73 0.00 0.00 68.15 67.94 3dwg h THR 185 CO 0.00 0.00 0.00 0.35 -0.25 0.00 0.00 175.52 175.62 3dwg n THR 186 N -2.84 0.00 -0.30 6.82 -2.24 -1.26 -4.63 114.28 109.82 3dwg n THR 186 Ca 0.02 0.00 0.02 0.00 -2.27 0.00 0.00 64.05 61.82 3dwg n THR 186 Cb 0.36 -0.04 0.16 0.00 -2.10 0.00 0.00 70.33 68.71 3dwg n THR 186 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 3dwg h GLY 187 N 0.00 1.30 0.81 3.38 0.00 -1.90 0.89 103.07 107.55 3dwg h GLY 187 Ca 0.00 -0.35 -0.02 0.00 0.00 0.00 0.00 47.33 46.96 3dwg h GLY 187 CO 0.00 0.20 -0.17 -0.84 0.00 0.00 0.00 176.54 175.73 3dwg h THR 188 N 0.89 0.67 -0.12 4.70 2.02 -1.89 0.03 112.91 119.20 3dwg h THR 188 Ca 0.39 -0.34 -0.13 0.00 0.77 0.00 0.00 66.41 67.10 3dwg h THR 188 Cb 0.28 0.85 -0.01 0.00 -1.74 0.00 0.00 68.15 67.53 3dwg h THR 188 CO -0.21 0.07 -0.50 -0.07 0.37 0.00 0.00 175.52 175.17 3dwg h LEU 189 N -0.66 0.35 -0.10 2.58 3.38 -1.77 -0.45 115.31 118.64 3dwg h LEU 189 Ca -0.05 -0.17 -0.11 0.00 0.09 0.00 0.00 57.88 57.64 3dwg h LEU 189 Cb 0.47 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.12 3dwg h LEU 189 CO 0.08 0.79 -0.36 0.24 0.09 0.00 0.00 178.44 179.28 3dwg h MET 190 N 0.25 0.43 0.03 1.13 2.86 -0.66 0.14 114.93 119.10 3dwg h MET 190 Ca 0.01 -0.32 -0.07 0.00 -2.06 0.00 0.00 59.70 57.26 3dwg h MET 190 Cb 0.97 0.06 0.01 0.00 0.06 0.00 0.00 31.60 32.70 3dwg h MET 190 CO 0.08 0.95 -0.28 0.78 1.06 0.00 0.00 176.91 179.50 3dwg h GLY 191 N -0.00 0.16 1.05 8.32 0.00 -1.03 -0.84 103.07 110.73 3dwg h GLY 191 Ca -0.02 -0.33 -0.07 0.00 0.00 0.00 0.00 47.33 46.91 3dwg h GLY 191 CO 0.08 0.29 0.11 -0.84 0.00 0.00 0.00 176.54 176.19 3dwg h THR 192 N -0.62 1.26 -0.36 4.70 2.02 -1.19 -2.08 112.91 116.64 3dwg h THR 192 Ca -0.04 -1.00 -0.16 0.00 0.77 0.00 0.00 66.41 65.98 3dwg h THR 192 Cb 1.12 0.68 -0.01 0.00 -1.74 0.00 0.00 68.15 68.20 3dwg h THR 192 CO 0.05 0.37 -0.40 1.23 0.37 0.00 0.00 175.52 177.14 3dwg h GLY 193 N 0.96 0.97 0.93 2.16 0.00 -0.80 0.14 103.07 107.43 3dwg h GLY 193 Ca 0.19 -1.00 -0.02 0.00 0.00 0.00 0.00 47.33 46.50 3dwg h GLY 193 CO 0.01 0.90 0.14 -0.09 0.00 0.00 0.00 176.54 177.50 3dwg h ARG 194 N 0.72 0.54 -0.04 4.80 2.43 -1.08 0.12 114.38 121.86 3dwg h ARG 194 Ca 0.05 -0.10 0.02 0.00 -0.81 0.00 0.00 59.98 59.14 3dwg h ARG 194 Cb 0.99 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 30.43 3dwg h ARG 194 CO 0.10 0.53 -0.08 0.35 -1.51 0.00 0.00 179.97 179.36 3dwg h PHE 195 N 0.43 -0.19 -0.40 2.20 3.04 -1.24 -0.84 116.94 119.94 3dwg h PHE 195 Ca 0.12 0.01 -0.04 0.00 3.98 0.00 0.00 57.97 62.04 3dwg h PHE 195 Cb 0.20 0.09 -0.02 0.00 2.56 0.00 0.00 35.95 38.78 3dwg h PHE 195 CO -0.00 -0.12 0.09 -0.07 -2.02 0.00 0.00 178.31 176.19 3dwg h LEU 196 N -0.11 0.62 -1.23 0.59 3.38 -0.82 -1.28 115.31 116.46 3dwg h LEU 196 Ca 0.05 -0.24 -0.02 0.00 0.09 0.00 0.00 57.88 57.76 3dwg h LEU 196 Cb 0.18 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.73 3dwg h LEU 196 CO -0.11 0.70 0.31 0.03 0.09 0.00 0.00 178.44 179.46 3dwg h ARG 197 N 0.52 0.84 -0.04 1.13 3.08 -0.56 1.00 114.38 120.35 3dwg h ARG 197 Ca 0.13 -0.10 -0.13 0.00 0.07 0.00 0.00 59.98 59.95 3dwg h ARG 197 Cb 0.33 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 30.20 3dwg h ARG 197 CO 0.00 0.64 -0.58 0.93 -1.07 0.00 0.00 179.97 179.89 3dwg h GLU 198 N 0.84 0.12 -0.01 0.04 5.08 -0.74 -3.33 114.58 116.59 3dwg h GLU 198 Ca 0.21 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 58.49 3dwg h GLU 198 Cb 0.06 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.32 3dwg h GLU 198 CO -0.03 0.67 -0.29 0.72 -1.00 0.00 0.00 179.01 179.08 3dwg n HIS 199 N -3.87 0.00 -3.68 4.33 8.25 -0.52 -4.89 115.22 114.84 3dwg n HIS 199 Ca -0.02 0.00 -0.28 0.00 -0.26 0.00 0.00 57.72 57.16 3dwg n HIS 199 Cb 0.59 0.00 -0.16 0.00 1.12 0.00 0.00 29.99 31.55 3dwg n HIS 199 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 3dwg s VAL 200 N -1.70 0.43 0.05 1.59 1.01 0.28 -5.06 120.40 116.99 3dwg s VAL 200 Ca 0.12 -0.81 -0.38 0.00 0.00 0.00 0.00 61.98 60.90 3dwg s VAL 200 Cb 0.11 -1.16 -0.18 0.00 0.00 0.00 0.00 36.38 35.15 3dwg s VAL 200 CO 0.35 -0.47 1.16 0.00 0.00 0.00 0.00 175.10 176.14 3dwg n ALA 201 N 5.06 -2.48 -0.99 5.51 0.00 -1.26 -2.68 120.51 123.67 3dwg n ALA 201 Ca -0.06 0.56 0.00 0.00 0.00 0.00 0.00 53.44 53.94 3dwg n ALA 201 Cb 0.45 -1.89 0.00 0.00 0.00 0.00 0.00 19.45 18.01 3dwg n ALA 201 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3dwg n ASN 202 N 1.93 -4.65 -4.77 0.00 5.03 -1.26 -4.99 115.26 106.55 3dwg n ASN 202 Ca 0.19 0.00 -0.36 0.00 0.87 0.00 0.00 54.58 55.28 3dwg n ASN 202 Cb 0.13 -2.25 0.00 0.00 -1.02 0.00 0.00 39.78 36.65 3dwg n ASN 202 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 3dwg s VAL 203 N -1.43 3.09 0.03 2.41 0.11 -1.09 -4.97 120.40 118.54 3dwg s VAL 203 Ca 0.00 0.72 0.08 0.00 -2.93 0.00 0.00 61.98 59.84 3dwg s VAL 203 Cb 0.00 -3.31 -0.03 0.00 -1.53 0.00 0.00 36.38 31.51 3dwg s VAL 203 CO 0.00 -0.11 -0.21 -0.54 -3.33 0.00 0.00 175.10 170.91 3dwg s LYS 204 N -3.12 2.01 -0.16 1.54 1.02 -0.28 -4.91 119.74 115.85 3dwg s LYS 204 Ca 0.71 -1.00 0.01 0.00 0.02 0.00 0.00 55.97 55.70 3dwg s LYS 204 Cb -0.26 -2.13 0.01 0.00 -0.52 0.00 0.00 37.83 34.93 3dwg s LYS 204 CO 0.30 0.54 -0.19 0.42 -0.92 0.00 0.00 175.35 175.50 3dwg s ILE 205 N -0.86 2.28 -0.07 2.17 -1.09 -1.26 -0.79 121.20 121.58 3dwg s ILE 205 Ca 0.13 -0.89 0.03 0.00 -2.23 0.00 0.00 60.65 57.70 3dwg s ILE 205 Cb -0.10 -1.95 0.01 0.00 -1.58 0.00 0.00 42.46 38.83 3dwg s ILE 205 CO 0.04 0.53 -0.17 -0.69 -1.23 0.00 0.00 174.94 173.42 3dwg s VAL 206 N 1.02 1.49 0.01 2.92 1.01 0.52 -0.24 120.40 127.13 3dwg s VAL 206 Ca -0.02 -0.70 -0.08 0.00 0.00 0.00 0.00 61.98 61.19 3dwg s VAL 206 Cb -0.15 -1.31 -0.05 0.00 0.00 0.00 0.00 36.38 34.87 3dwg s VAL 206 CO -0.05 0.43 0.30 0.00 0.00 0.00 0.00 175.10 175.78 3dwg s ALA 207 N 0.44 3.82 -0.28 5.51 0.00 -0.76 -2.12 121.76 128.36 3dwg s ALA 207 Ca -0.14 -0.52 0.01 0.00 0.00 0.00 0.00 51.96 51.31 3dwg s ALA 207 Cb -0.16 -2.12 0.08 0.00 0.00 0.00 0.00 23.12 20.92 3dwg s ALA 207 CO 0.05 0.62 0.03 0.00 0.00 0.00 0.00 175.76 176.46 3dwg s ALA 208 N -1.29 2.01 -0.19 0.00 0.00 -0.05 -0.76 121.76 121.48 3dwg s ALA 208 Ca 0.28 -1.73 -0.11 0.00 0.00 0.00 0.00 51.96 50.40 3dwg s ALA 208 Cb -0.13 -1.62 -0.05 0.00 0.00 0.00 0.00 23.12 21.32 3dwg s ALA 208 CO 0.16 -1.47 0.18 -2.00 0.00 0.00 0.00 175.76 172.62 3dwg s GLU 209 N 1.36 4.20 0.65 0.00 2.12 0.15 -3.59 118.70 123.60 3dwg s GLU 209 Ca 0.04 -0.13 -0.17 0.00 0.36 0.00 0.00 54.97 55.07 3dwg s GLU 209 Cb -0.18 -3.43 -0.00 0.00 0.26 0.00 0.00 34.13 30.78 3dwg s GLU 209 CO -0.13 0.27 1.23 -2.14 -0.54 0.00 0.00 175.26 173.94 3dwg s PRO 210 N 0.43 2.59 -0.23 4.30 0.02 -1.26 -0.92 135.00 139.93 3dwg s PRO 210 Ca 0.10 1.85 -0.00 0.00 0.02 0.00 0.00 61.00 62.97 3dwg s PRO 210 Cb -0.12 -1.88 0.03 0.00 0.02 0.00 0.00 34.50 32.56 3dwg s PRO 210 CO -0.00 -1.51 -0.10 0.50 -0.33 0.00 0.00 177.00 175.55 3dwg s ARG 211 N -3.56 2.75 0.69 5.54 3.52 0.02 -4.65 118.95 123.26 3dwg s ARG 211 Ca 0.77 -1.02 -0.04 0.00 -0.13 0.00 0.00 55.73 55.32 3dwg s ARG 211 Cb -0.31 -2.87 0.09 0.00 -1.56 0.00 0.00 34.95 30.30 3dwg s ARG 211 CO 0.39 -0.39 0.98 0.71 -0.81 0.00 0.00 175.30 176.18 3dwg s TYR 212 N 1.27 2.36 1.05 5.12 2.02 -1.26 -4.00 117.35 123.91 3dwg s TYR 212 Ca -0.01 0.09 -0.12 0.00 -0.37 0.00 0.00 57.07 56.66 3dwg s TYR 212 Cb -0.16 -3.11 0.22 0.00 -0.40 0.00 0.00 41.96 38.51 3dwg s TYR 212 CO -0.07 -1.48 1.07 0.20 -1.57 0.00 0.00 175.55 173.70 3dwg s GLY 213 N -4.60 1.58 0.41 0.71 0.00 -1.23 -4.93 107.32 99.26 3dwg s GLY 213 Ca 0.63 -0.07 0.07 0.00 0.00 0.00 0.00 44.72 45.35 3dwg s GLY 213 CO 0.44 0.54 2.04 1.05 0.00 0.00 0.00 173.10 177.17 3dwg h GLU 214 N -2.18 0.50 -0.21 2.90 4.11 -1.99 -2.16 114.58 115.56 3dwg h GLU 214 Ca -0.55 -0.04 -0.03 0.00 0.07 0.00 0.00 59.36 58.80 3dwg h GLU 214 Cb 1.31 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 30.45 3dwg h GLU 214 CO 0.51 0.37 -0.02 0.78 0.07 0.00 0.00 179.01 180.73 3dwg h GLY 215 N 0.57 0.32 1.84 1.06 0.00 -1.91 -2.31 103.07 102.65 3dwg h GLY 215 Ca 0.13 -0.17 -0.03 0.00 0.00 0.00 0.00 47.33 47.27 3dwg h GLY 215 CO -0.02 0.16 -0.03 -2.08 0.00 0.00 0.00 176.54 174.57 3dwg h VAL 216 N 0.30 1.11 -0.36 4.60 2.07 -1.62 -2.51 116.25 119.84 3dwg h VAL 216 Ca 0.07 -0.45 0.00 0.00 0.82 0.00 0.00 66.70 67.13 3dwg h VAL 216 Cb 0.23 1.04 0.00 0.00 -1.52 0.00 0.00 31.29 31.04 3dwg h VAL 216 CO 0.01 0.15 0.00 -1.22 0.02 0.00 0.00 177.57 176.52 3dwg n TYR 217 N -4.39 0.46 -1.62 1.57 4.02 -0.88 -0.78 117.16 115.55 3dwg n TYR 217 Ca -0.01 -0.23 -0.41 0.00 -0.01 0.00 0.00 57.90 57.25 3dwg n TYR 217 Cb 0.18 0.00 -0.01 0.00 -0.02 0.00 0.00 39.34 39.49 3dwg n TYR 217 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 3dwg n ALA 218 N 1.09 6.50 -1.42 -0.72 0.00 -0.95 -4.87 120.51 120.15 3dwg n ALA 218 Ca 0.18 -3.78 -0.31 0.00 0.00 0.00 0.00 53.44 49.53 3dwg n ALA 218 Cb 0.50 -3.36 0.07 0.00 0.00 0.00 0.00 19.45 16.66 3dwg n ALA 218 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3dwg s LEU 219 N 0.80 3.03 0.27 0.00 1.43 -1.26 -4.55 118.68 118.40 3dwg s LEU 219 Ca 0.57 1.68 0.22 0.00 -1.03 0.00 0.00 54.13 55.57 3dwg s LEU 219 Cb 0.16 -4.46 0.09 0.00 0.03 0.00 0.00 46.19 42.01 3dwg s LEU 219 CO -0.07 -1.76 1.22 0.03 0.23 0.00 0.00 176.35 176.00 3dwg h ARG 220 N -0.94 0.00 -3.41 1.70 2.47 -1.98 -3.47 114.38 108.75 3dwg h ARG 220 Ca -0.44 0.00 -0.17 0.00 -1.26 0.00 0.00 59.98 58.11 3dwg h ARG 220 Cb 1.22 0.00 -0.24 0.00 -1.65 0.00 0.00 29.97 29.30 3dwg h ARG 220 CO 0.54 0.06 -0.52 -0.80 0.56 0.00 0.00 179.97 179.82 3dwg s ASN 221 N -5.72 -0.09 0.52 7.04 -0.87 -1.26 -5.04 114.94 109.52 3dwg s ASN 221 Ca 0.02 0.12 0.25 0.00 -1.57 0.00 0.00 52.86 51.68 3dwg s ASN 221 Cb 0.08 0.28 1.44 0.00 -0.02 0.00 0.00 41.25 43.03 3dwg s ASN 221 CO 0.75 -0.18 2.10 -0.03 -2.57 0.00 0.00 177.10 177.18 3dwg h MET 222 N 5.28 0.00 0.00 -0.60 4.05 -2.01 -1.18 114.93 120.47 3dwg h MET 222 Ca -0.27 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.15 3dwg h MET 222 Cb 1.20 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 32.00 3dwg h MET 222 CO 0.41 0.10 0.00 -0.25 0.23 0.00 0.00 176.91 177.40 3dwg n ASP 223 N -3.85 0.20 -0.16 1.39 9.92 -1.26 -0.75 116.55 122.04 3dwg n ASP 223 Ca -0.02 0.55 0.13 0.00 -0.53 0.00 0.00 54.79 54.92 3dwg n ASP 223 Cb 0.20 -0.59 0.69 0.00 -0.64 0.00 0.00 41.12 40.78 3dwg n ASP 223 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 3dwg n GLU 224 N -1.72 1.21 -0.76 -1.24 1.02 -0.45 -4.88 120.64 113.83 3dwg n GLU 224 Ca 0.03 -0.32 -0.31 0.00 -0.02 0.00 0.00 57.16 56.54 3dwg n GLU 224 Cb 0.17 -1.43 0.16 0.00 -0.02 0.00 0.00 31.44 30.33 3dwg n GLU 224 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 3dwg s GLY 225 N -1.84 1.68 -0.20 0.62 0.00 0.07 -4.97 107.32 102.68 3dwg s GLY 225 Ca 0.39 0.50 -0.12 0.00 0.00 0.00 0.00 44.72 45.49 3dwg s GLY 225 CO 0.31 0.93 0.49 -0.12 0.00 0.00 0.00 173.10 174.71 3dwg s PHE 226 N -2.67 -0.71 -0.16 1.90 5.36 -1.26 -5.13 117.98 115.31 3dwg s PHE 226 Ca 0.66 1.50 0.02 0.00 -0.96 0.00 0.00 56.93 58.15 3dwg s PHE 226 Cb -0.22 0.34 0.02 0.00 -0.34 0.00 0.00 43.02 42.82 3dwg s PHE 226 CO 0.58 -0.37 -0.20 0.08 -1.46 0.00 0.00 175.22 173.84 3dwg s VAL 227 N 1.26 2.00 0.41 3.12 1.01 -1.26 -5.05 120.40 121.89 3dwg s VAL 227 Ca -0.08 -0.92 -0.25 0.00 0.00 0.00 0.00 61.98 60.73 3dwg s VAL 227 Cb -0.07 -1.80 -0.11 0.00 0.00 0.00 0.00 36.38 34.41 3dwg s VAL 227 CO -0.12 0.53 1.07 -2.65 0.00 0.00 0.00 175.10 173.93 3dwg n PRO 228 N 4.39 1.48 0.31 2.72 -0.02 -1.26 -4.84 135.00 137.78 3dwg n PRO 228 Ca -0.20 0.53 0.18 0.00 -2.02 0.00 0.00 63.50 61.99 3dwg n PRO 228 Cb 0.51 -2.10 0.99 0.00 -0.02 0.00 0.00 33.50 32.88 3dwg n PRO 228 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 3dwg h GLU 229 N 1.71 0.00 0.00 -0.52 3.07 -1.73 -1.75 114.58 115.37 3dwg h GLU 229 Ca -0.45 0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 58.40 3dwg h GLU 229 Cb 1.33 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 29.24 3dwg h GLU 229 CO 0.58 0.02 -0.07 -0.07 -1.40 0.00 0.00 179.01 178.08 3dwg h LEU 230 N 0.00 0.00 -9.62 1.33 3.38 -1.66 -3.46 115.31 105.28 3dwg h LEU 230 Ca -0.00 0.00 -0.52 0.00 0.09 0.00 0.00 57.88 57.45 3dwg h LEU 230 Cb 0.13 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.88 3dwg h LEU 230 CO 0.00 0.07 0.47 -0.47 0.09 0.00 0.00 178.44 178.61 3dwg s TYR 231 N -3.84 3.59 -0.23 1.13 6.04 -0.66 -4.97 117.35 118.41 3dwg s TYR 231 Ca -0.01 1.58 -0.02 0.00 0.04 0.00 0.00 57.07 58.66 3dwg s TYR 231 Cb 0.11 -3.27 0.07 0.00 -1.04 0.00 0.00 41.96 37.82 3dwg s TYR 231 CO 0.55 -0.61 0.03 0.34 -1.54 0.00 0.00 175.55 174.32 3dwg s ASP 232 N 0.10 3.36 0.61 4.32 -1.08 -1.26 -5.03 116.67 117.69 3dwg s ASP 232 Ca 0.51 -1.09 0.39 0.00 -0.52 0.00 0.00 52.55 51.84 3dwg s ASP 232 Cb -0.29 -0.76 1.88 0.00 -1.46 0.00 0.00 42.92 42.29 3dwg s ASP 232 CO 0.33 -0.32 2.17 1.55 0.52 0.00 0.00 175.17 179.43 3dwg h PRO 233 N 8.16 0.00 0.00 4.34 0.13 -1.96 -2.62 132.00 140.04 3dwg h PRO 233 Ca -0.16 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.97 3dwg h PRO 233 Cb 1.08 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.21 3dwg h PRO 233 CO 0.38 0.00 0.00 0.93 -0.23 0.00 0.00 178.00 179.08 3dwg h GLU 234 N 0.00 0.00 0.00 0.86 5.08 -2.03 -1.97 114.58 116.52 3dwg h GLU 234 Ca -0.00 0.00 -0.19 0.00 -1.00 0.00 0.00 59.36 58.17 3dwg h GLU 234 Cb 0.27 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.49 3dwg h GLU 234 CO 0.00 0.00 -0.89 0.82 -1.00 0.00 0.00 179.01 177.94 3dwg h ILE 235 N 0.00 1.64 -3.72 3.13 1.08 -1.89 -3.45 117.51 114.30 3dwg h ILE 235 Ca 0.00 -3.05 -0.49 0.00 -0.39 0.00 0.00 64.86 60.93 3dwg h ILE 235 Cb 0.01 2.64 -0.03 0.00 -3.07 0.00 0.00 36.82 36.38 3dwg h ILE 235 CO 0.00 0.87 0.16 -0.76 -0.69 0.00 0.00 178.15 177.73 3dwg s LEU 236 N -6.97 4.21 -0.12 1.44 1.43 -0.74 -4.56 118.68 113.37 3dwg s LEU 236 Ca 0.00 1.47 0.04 0.00 -1.03 0.00 0.00 54.13 54.61 3dwg s LEU 236 Cb 0.11 -3.90 -0.24 0.00 0.03 0.00 0.00 46.19 42.19 3dwg s LEU 236 CO 0.80 -0.10 0.37 0.41 0.23 0.00 0.00 176.35 178.07 3dwg n THR 237 N 0.22 1.64 -3.74 5.49 -1.04 0.67 -4.96 114.28 112.57 3dwg n THR 237 Ca 0.01 -0.72 -0.10 0.00 -2.04 0.00 0.00 64.05 61.20 3dwg n THR 237 Cb 0.52 -1.31 -0.04 0.00 -1.82 0.00 0.00 70.33 67.68 3dwg n THR 237 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3dwg s ALA 238 N -2.56 -0.84 -0.10 2.41 0.00 -1.20 -5.03 121.76 114.44 3dwg s ALA 238 Ca -0.16 -0.26 -0.04 0.00 0.00 0.00 0.00 51.96 51.50 3dwg s ALA 238 Cb 0.07 0.83 0.05 0.00 0.00 0.00 0.00 23.12 24.07 3dwg s ALA 238 CO 0.78 -0.76 0.20 0.50 0.00 0.00 0.00 175.76 176.48 3dwg s ARG 239 N -3.87 0.09 0.00 0.00 3.52 -1.26 -1.82 118.95 115.61 3dwg s ARG 239 Ca 0.09 0.60 0.04 0.00 -0.13 0.00 0.00 55.73 56.33 3dwg s ARG 239 Cb -0.00 -0.17 -0.03 0.00 -1.56 0.00 0.00 34.95 33.18 3dwg s ARG 239 CO -0.04 -0.27 -0.10 0.71 -0.81 0.00 0.00 175.30 174.78 3dwg s TYR 240 N 2.12 2.79 -0.24 5.12 2.02 0.06 -4.98 117.35 124.25 3dwg s TYR 240 Ca 0.00 -0.10 -0.08 0.00 -0.37 0.00 0.00 57.07 56.53 3dwg s TYR 240 Cb -0.12 -1.58 -0.03 0.00 -0.40 0.00 0.00 41.96 39.83 3dwg s TYR 240 CO -0.07 0.32 0.08 0.45 -1.57 0.00 0.00 175.55 174.76 3dwg s SER 241 N -1.30 5.25 -0.17 2.29 0.15 -1.26 0.34 113.70 118.99 3dwg s SER 241 Ca 0.16 -0.16 0.01 0.00 0.70 0.00 0.00 55.95 56.65 3dwg s SER 241 Cb -0.11 -1.94 0.02 0.00 -1.71 0.00 0.00 66.02 62.28 3dwg s SER 241 CO 0.06 -0.01 -0.19 -0.69 1.20 0.00 0.00 173.24 173.61 3dwg s VAL 242 N 1.48 1.95 0.89 4.45 1.01 -0.10 -4.88 120.40 125.20 3dwg s VAL 242 Ca 0.06 -0.87 -0.13 0.00 0.00 0.00 0.00 61.98 61.04 3dwg s VAL 242 Cb -0.15 -1.78 0.13 0.00 0.00 0.00 0.00 36.38 34.58 3dwg s VAL 242 CO 0.04 0.52 1.18 -0.83 0.00 0.00 0.00 175.10 176.01 3dwg s GLY 243 N 1.33 1.61 0.26 4.51 0.00 -1.26 -0.80 107.32 112.97 3dwg s GLY 243 Ca 0.05 -0.68 -0.04 0.00 0.00 0.00 0.00 44.72 44.04 3dwg s GLY 243 CO -0.12 -0.11 1.90 0.00 0.00 0.00 0.00 173.10 174.76 3dwg h ALA 244 N -1.38 1.27 -0.45 3.20 0.00 -1.97 -0.47 119.26 119.45 3dwg h ALA 244 Ca -0.48 -0.11 -0.11 0.00 0.00 0.00 0.00 54.91 54.22 3dwg h ALA 244 Cb 1.32 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 3dwg h ALA 244 CO 0.59 0.61 -0.13 -0.24 0.00 0.00 0.00 179.25 180.08 3dwg h VAL 245 N 1.16 1.27 -0.54 0.00 3.04 -1.93 0.15 116.25 119.40 3dwg h VAL 245 Ca 0.30 -1.26 -0.06 0.00 -1.01 0.00 0.00 66.70 64.67 3dwg h VAL 245 Cb -0.00 1.14 -0.02 0.00 -2.01 0.00 0.00 31.29 30.40 3dwg h VAL 245 CO -0.05 0.43 0.09 0.44 -1.01 0.00 0.00 177.57 177.47 3dwg h ASP 246 N 0.73 0.85 -0.46 3.17 3.32 -1.89 0.44 116.42 122.57 3dwg h ASP 246 Ca 0.11 -0.26 -0.05 0.00 0.02 0.00 0.00 57.03 56.86 3dwg h ASP 246 Cb 0.68 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.99 3dwg h ASP 246 CO 0.05 0.89 0.09 0.00 -1.72 0.00 0.00 179.24 178.55 3dwg h ALA 247 N 0.99 0.61 -0.64 3.45 0.00 -0.82 -1.42 119.26 121.42 3dwg h ALA 247 Ca 0.16 -0.21 -0.05 0.00 0.00 0.00 0.00 54.91 54.80 3dwg h ALA 247 Cb 0.40 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 3dwg h ALA 247 CO 0.01 0.31 0.19 0.28 0.00 0.00 0.00 179.25 180.04 3dwg h VAL 248 N 0.62 1.25 -0.26 0.00 2.07 -0.67 0.23 116.25 119.50 3dwg h VAL 248 Ca 0.14 -0.87 0.04 0.00 0.82 0.00 0.00 66.70 66.83 3dwg h VAL 248 Cb 0.35 0.60 -0.04 0.00 -1.52 0.00 0.00 31.29 30.68 3dwg h VAL 248 CO 0.01 0.33 0.03 -0.09 0.02 0.00 0.00 177.57 177.87 3dwg h ARG 249 N 0.93 0.11 -0.16 1.57 2.43 -0.74 -0.06 114.38 118.46 3dwg h ARG 249 Ca 0.21 -0.01 -0.15 0.00 -0.81 0.00 0.00 59.98 59.22 3dwg h ARG 249 Cb 0.31 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.83 3dwg h ARG 249 CO -0.00 0.07 -0.52 0.00 -1.51 0.00 0.00 179.97 178.00 3dwg h ARG 250 N 0.11 0.45 -0.49 0.20 -0.00 -1.02 -0.26 114.38 113.38 3dwg h ARG 250 Ca 0.12 -0.27 0.00 0.00 -0.50 0.00 0.00 59.98 59.33 3dwg h ARG 250 Cb 0.14 0.03 -0.02 0.00 0.00 0.00 0.00 29.97 30.11 3dwg h ARG 250 CO -0.18 0.87 0.31 1.15 0.00 0.00 0.00 179.97 182.11 3dwg h THR 251 N 0.35 1.14 -0.59 2.04 2.02 -0.63 -0.58 112.91 116.65 3dwg h THR 251 Ca 0.01 -0.29 -0.05 0.00 0.77 0.00 0.00 66.41 66.85 3dwg h THR 251 Cb 1.04 0.46 -0.03 0.00 -1.74 0.00 0.00 68.15 67.88 3dwg h THR 251 CO 0.09 0.14 0.19 0.03 0.37 0.00 0.00 175.52 176.34 3dwg h ARG 252 N 0.65 0.92 -0.76 6.66 3.08 -0.79 -2.77 114.38 121.38 3dwg h ARG 252 Ca 0.18 -0.20 0.05 0.00 0.07 0.00 0.00 59.98 60.08 3dwg h ARG 252 Cb -0.04 -0.13 -0.05 0.00 0.08 0.00 0.00 29.97 29.84 3dwg h ARG 252 CO -0.04 0.83 0.50 0.93 -1.07 0.00 0.00 179.97 181.12 3dwg h GLU 253 N 0.84 0.84 -0.34 0.04 5.08 -0.69 0.24 114.58 120.59 3dwg h GLU 253 Ca 0.19 -0.05 -0.09 0.00 -1.00 0.00 0.00 59.36 58.41 3dwg h GLU 253 Cb 0.29 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.34 3dwg h GLU 253 CO -0.01 0.55 -0.14 1.25 -1.00 0.00 0.00 179.01 179.67 3dwg h LEU 254 N 0.86 0.72 -0.26 1.33 5.85 -0.90 0.58 115.31 123.50 3dwg h LEU 254 Ca 0.31 -0.39 -0.21 0.00 0.84 0.00 0.00 57.88 58.43 3dwg h LEU 254 Cb 0.15 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 40.99 3dwg h LEU 254 CO -0.10 0.95 -0.82 1.62 -0.34 0.00 0.00 178.44 179.75 3dwg h VAL 255 N 0.48 1.35 -0.48 1.05 3.04 -1.22 -0.24 116.25 120.24 3dwg h VAL 255 Ca 0.08 -2.19 -0.08 0.00 -1.01 0.00 0.00 66.70 63.50 3dwg h VAL 255 Cb 0.66 2.18 -0.02 0.00 -2.01 0.00 0.00 31.29 32.10 3dwg h VAL 255 CO 0.04 0.67 -0.02 0.45 -1.01 0.00 0.00 177.57 177.70 3dwg h HIS 256 N 0.33 0.86 0.03 3.17 3.86 -0.82 -2.04 115.15 120.55 3dwg h HIS 256 Ca -0.06 -0.13 -0.38 0.00 -1.16 0.00 0.00 60.37 58.65 3dwg h HIS 256 Cb 1.43 -0.23 -0.05 0.00 1.06 0.00 0.00 27.41 29.61 3dwg h HIS 256 CO 0.06 0.80 -2.31 2.41 0.86 0.00 0.00 177.93 179.76 3dwg n THR 257 N -4.20 1.57 0.10 2.45 -1.04 0.18 -4.67 114.28 108.66 3dwg n THR 257 Ca 0.02 -0.63 0.01 0.00 -2.04 0.00 0.00 64.05 61.41 3dwg n THR 257 Cb 0.31 -1.40 0.00 0.00 -1.82 0.00 0.00 70.33 67.43 3dwg n THR 257 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 3dwg n GLU 258 N -3.26 0.92 -0.86 -2.82 -0.58 -0.13 -4.90 120.64 109.00 3dwg n GLU 258 Ca -0.40 -0.49 0.00 0.00 -0.42 0.00 0.00 57.16 55.85 3dwg n GLU 258 Cb 1.02 -0.94 0.00 0.00 -0.57 0.00 0.00 31.44 30.95 3dwg n GLU 258 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3dwg n GLY 259 N 0.34 0.76 3.67 0.62 0.00 -0.77 -4.97 105.19 104.85 3dwg n GLY 259 Ca 0.01 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.66 3dwg n GLY 259 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3dwg s ILE 260 N -2.92 5.33 -0.61 -0.61 1.01 -1.21 -4.92 121.20 117.28 3dwg s ILE 260 Ca 0.00 0.31 -0.11 0.00 0.00 0.00 0.00 60.65 60.85 3dwg s ILE 260 Cb 0.00 -3.55 0.16 0.00 0.01 0.00 0.00 42.46 39.07 3dwg s ILE 260 CO 0.00 0.33 0.51 0.12 0.00 0.00 0.00 174.94 175.91 3dwg s PHE 261 N 1.03 3.48 0.32 3.97 5.36 -1.26 -2.68 117.98 128.20 3dwg s PHE 261 Ca 0.10 -1.89 0.09 0.00 -0.96 0.00 0.00 56.93 54.27 3dwg s PHE 261 Cb -0.14 -3.61 -0.05 0.00 -0.34 0.00 0.00 43.02 38.88 3dwg s PHE 261 CO 0.05 -0.98 0.06 0.00 -1.46 0.00 0.00 175.22 172.89 3dwg s ALA 262 N 0.88 3.31 1.06 11.12 0.00 -1.26 -1.38 121.76 135.49 3dwg s ALA 262 Ca 0.10 -1.85 -0.12 0.00 0.00 0.00 0.00 51.96 50.09 3dwg s ALA 262 Cb -0.22 -0.60 0.22 0.00 0.00 0.00 0.00 23.12 22.53 3dwg s ALA 262 CO -0.02 0.10 1.07 0.20 0.00 0.00 0.00 175.76 177.10 3dwg s GLY 263 N -3.76 1.56 0.35 0.00 0.00 -0.10 -3.25 107.32 102.12 3dwg s GLY 263 Ca 0.35 -0.24 0.17 0.00 0.00 0.00 0.00 44.72 45.00 3dwg s GLY 263 CO 0.21 0.40 1.69 -2.22 0.00 0.00 0.00 173.10 173.18 3dwg h ILE 264 N -2.17 0.99 0.00 0.90 2.04 -1.88 -2.15 117.51 115.23 3dwg h ILE 264 Ca -0.57 -1.70 -0.04 0.00 1.00 0.00 0.00 64.86 63.55 3dwg h ILE 264 Cb 1.33 2.01 -0.01 0.00 -0.74 0.00 0.00 36.82 39.41 3dwg h ILE 264 CO 0.54 0.43 -0.19 0.77 0.00 0.00 0.00 178.15 179.70 3dwg h SER 265 N 0.00 0.00 -0.23 1.72 4.64 -1.93 -0.92 113.55 116.83 3dwg h SER 265 Ca -0.00 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.21 3dwg h SER 265 Cb 0.98 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.05 3dwg h SER 265 CO 0.06 0.19 -0.19 0.74 -0.87 0.00 0.00 176.83 176.75 3dwg h THR 266 N 0.00 1.26 -0.66 2.95 2.02 -1.69 -0.97 112.91 115.82 3dwg h THR 266 Ca -0.00 -1.25 -0.03 0.00 0.77 0.00 0.00 66.41 65.90 3dwg h THR 266 Cb 0.37 1.20 -0.03 0.00 -1.74 0.00 0.00 68.15 67.95 3dwg h THR 266 CO 0.02 0.41 0.29 1.23 0.37 0.00 0.00 175.52 177.85 3dwg h GLY 267 N 0.98 1.03 1.03 2.16 0.00 -1.17 0.19 103.07 107.29 3dwg h GLY 267 Ca 0.09 -0.51 -0.11 0.00 0.00 0.00 0.00 47.33 46.80 3dwg h GLY 267 CO 0.05 0.48 -0.18 0.00 0.00 0.00 0.00 176.54 176.89 3dwg h ALA 268 N 1.37 0.57 -0.48 3.60 0.00 -1.12 -0.54 119.26 122.66 3dwg h ALA 268 Ca 0.23 -0.36 0.03 0.00 0.00 0.00 0.00 54.91 54.81 3dwg h ALA 268 Cb 0.14 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.75 3dwg h ALA 268 CO -0.03 0.52 0.26 0.28 0.00 0.00 0.00 179.25 180.28 3dwg h VAL 269 N 0.66 1.00 -0.69 0.00 2.07 -0.71 -1.90 116.25 116.68 3dwg h VAL 269 Ca 0.09 -0.18 -0.08 0.00 0.82 0.00 0.00 66.70 67.36 3dwg h VAL 269 Cb 0.74 0.44 -0.03 0.00 -1.52 0.00 0.00 31.29 30.92 3dwg h VAL 269 CO 0.06 0.09 0.12 0.25 0.02 0.00 0.00 177.57 178.11 3dwg h LEU 270 N 0.52 1.08 -0.31 2.57 5.85 -0.42 0.11 115.31 124.70 3dwg h LEU 270 Ca 0.20 -0.26 -0.00 0.00 0.84 0.00 0.00 57.88 58.66 3dwg h LEU 270 Cb 0.07 -0.29 -0.02 0.00 0.37 0.00 0.00 40.66 40.80 3dwg h LEU 270 CO -0.12 1.06 0.18 -0.74 -0.34 0.00 0.00 178.44 178.48 3dwg h HIS 271 N 1.05 0.42 -0.21 1.25 2.76 -0.60 0.65 115.15 120.47 3dwg h HIS 271 Ca 0.21 -0.00 -0.00 0.00 -2.20 0.00 0.00 60.37 58.37 3dwg h HIS 271 Cb 0.43 -0.14 -0.01 0.00 1.55 0.00 0.00 27.41 29.24 3dwg h HIS 271 CO 0.03 0.32 0.12 0.00 -1.30 0.00 0.00 177.93 177.11 3dwg h ALA 272 N 1.06 0.27 -0.75 5.26 0.00 -1.02 -2.25 119.26 121.83 3dwg h ALA 272 Ca 0.11 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 3dwg h ALA 272 Cb 0.03 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.70 3dwg h ALA 272 CO -0.02 -0.22 0.37 0.00 0.00 0.00 0.00 179.25 179.38 3dwg h ALA 273 N 1.03 1.24 -0.50 0.00 0.00 -0.40 -1.11 119.26 119.52 3dwg h ALA 273 Ca 0.08 -0.14 -0.07 0.00 0.00 0.00 0.00 54.91 54.78 3dwg h ALA 273 Cb 0.03 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.50 3dwg h ALA 273 CO -0.01 0.59 0.04 -0.07 0.00 0.00 0.00 179.25 179.79 3dwg h LEU 274 N 1.06 0.78 -0.28 0.00 3.38 -0.80 0.91 115.31 120.37 3dwg h LEU 274 Ca 0.26 -0.18 -0.00 0.00 0.09 0.00 0.00 57.88 58.06 3dwg h LEU 274 Cb 0.09 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 3dwg h LEU 274 CO -0.04 0.82 0.17 1.23 0.09 0.00 0.00 178.44 180.72 3dwg h GLY 275 N 0.98 0.40 0.91 0.83 0.00 -0.78 0.11 103.07 105.51 3dwg h GLY 275 Ca 0.15 -0.16 -0.01 0.00 0.00 0.00 0.00 47.33 47.31 3dwg h GLY 275 CO 0.01 0.16 0.09 -2.08 0.00 0.00 0.00 176.54 174.73 3dwg h VAL 276 N 0.35 1.15 -0.57 4.60 2.07 -1.04 -1.51 116.25 121.31 3dwg h VAL 276 Ca 0.10 -0.45 0.09 0.00 0.82 0.00 0.00 66.70 67.26 3dwg h VAL 276 Cb 0.00 1.05 -0.07 0.00 -1.52 0.00 0.00 31.29 30.76 3dwg h VAL 276 CO -0.02 0.15 0.20 1.23 0.02 0.00 0.00 177.57 179.15 3dwg h GLY 277 N 0.20 0.77 1.02 2.17 0.00 -0.73 -1.43 103.07 105.07 3dwg h GLY 277 Ca 0.07 -0.10 -0.01 0.00 0.00 0.00 0.00 47.33 47.29 3dwg h GLY 277 CO -0.01 -0.02 0.51 0.00 0.00 0.00 0.00 176.54 177.03 3dwg h ALA 278 N 1.39 1.10 -0.11 3.60 0.00 -0.55 -0.78 119.26 123.91 3dwg h ALA 278 Ca 0.28 -0.10 0.01 0.00 0.00 0.00 0.00 54.91 55.10 3dwg h ALA 278 Cb 0.34 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 3dwg h ALA 278 CO -0.29 0.57 0.05 0.78 0.00 0.00 0.00 179.25 180.36 3dwg h GLY 279 N 1.19 0.15 1.03 0.00 0.00 -0.51 -0.42 103.07 104.51 3dwg h GLY 279 Ca 0.31 -0.04 -0.03 0.00 0.00 0.00 0.00 47.33 47.57 3dwg h GLY 279 CO -0.06 0.03 0.42 0.00 0.00 0.00 0.00 176.54 176.94 3dwg h ALA 280 N 1.06 1.09 -0.37 3.60 0.00 -0.95 -1.16 119.26 122.53 3dwg h ALA 280 Ca 0.05 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 54.76 3dwg h ALA 280 Cb 0.01 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.45 3dwg h ALA 280 CO -0.03 0.65 0.06 1.25 0.00 0.00 0.00 179.25 181.18 3dwg h LEU 281 N 1.20 0.59 -1.18 0.00 5.85 -0.93 -0.61 115.31 120.24 3dwg h LEU 281 Ca 0.29 -0.26 -0.04 0.00 0.84 0.00 0.00 57.88 58.71 3dwg h LEU 281 Cb 0.10 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 40.95 3dwg h LEU 281 CO -0.04 0.70 0.09 0.00 -0.34 0.00 0.00 178.44 178.85 3dwg h ALA 282 N 0.91 1.34 -0.00 1.25 0.00 -0.86 -1.73 119.26 120.17 3dwg h ALA 282 Ca 0.11 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.84 3dwg h ALA 282 Cb 0.36 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.96 3dwg h ALA 282 CO 0.01 0.47 -0.02 0.00 0.00 0.00 0.00 179.25 179.70 3dwg n ALA 283 N -2.47 2.64 -3.02 0.00 0.00 -0.46 -4.93 120.51 112.27 3dwg n ALA 283 Ca 0.03 -0.22 -0.22 0.00 0.00 0.00 0.00 53.44 53.03 3dwg n ALA 283 Cb 0.21 -1.45 0.03 0.00 0.00 0.00 0.00 19.45 18.25 3dwg n ALA 283 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3dwg n GLY 284 N 1.16 -0.52 3.80 0.00 0.00 -0.61 -5.01 105.19 104.00 3dwg n GLY 284 Ca 0.19 0.13 -0.36 0.00 0.00 0.00 0.00 46.02 45.98 3dwg n GLY 284 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3dwg s GLU 285 N -5.70 3.22 0.28 1.61 2.02 -0.34 -4.61 118.70 115.19 3dwg s GLU 285 Ca 0.30 -0.29 -0.29 0.00 0.02 0.00 0.00 54.97 54.71 3dwg s GLU 285 Cb -0.14 -3.00 -0.10 0.00 0.10 0.00 0.00 34.13 31.00 3dwg s GLU 285 CO 0.37 0.73 1.12 0.50 0.02 0.00 0.00 175.26 178.00 3dwg s ARG 286 N -1.12 4.61 -0.00 1.61 3.00 -1.26 -4.47 118.95 121.32 3dwg s ARG 286 Ca 0.16 1.85 -0.04 0.00 -1.00 0.00 0.00 55.73 56.70 3dwg s ARG 286 Cb -0.12 -3.18 -0.00 0.00 0.00 0.00 0.00 34.95 31.65 3dwg s ARG 286 CO 0.05 0.16 0.07 0.00 0.00 0.00 0.00 175.30 175.59 3dwg s ALA 287 N -1.13 -0.15 -0.28 6.12 0.00 -0.48 -4.99 121.76 120.85 3dwg s ALA 287 Ca 0.45 -0.15 -0.02 0.00 0.00 0.00 0.00 51.96 52.25 3dwg s ALA 287 Cb -0.33 0.04 0.09 0.00 0.00 0.00 0.00 23.12 22.92 3dwg s ALA 287 CO 0.42 -0.14 0.08 -0.51 0.00 0.00 0.00 175.76 175.62 3dwg s ASP 288 N -0.91 3.69 -0.30 0.00 1.01 -1.26 -1.37 116.67 117.52 3dwg s ASP 288 Ca -0.10 -1.38 -0.07 0.00 0.71 0.00 0.00 52.55 51.71 3dwg s ASP 288 Cb -0.06 -0.75 0.01 0.00 1.01 0.00 0.00 42.92 43.14 3dwg s ASP 288 CO 0.00 -0.38 0.08 -0.63 0.21 0.00 0.00 175.17 174.45 3dwg s ILE 289 N 1.72 3.92 -0.09 0.77 1.01 -0.08 -0.70 121.20 127.76 3dwg s ILE 289 Ca 0.06 -0.78 -0.12 0.00 0.00 0.00 0.00 60.65 59.81 3dwg s ILE 289 Cb -0.17 -3.06 -0.05 0.00 0.01 0.00 0.00 42.46 39.19 3dwg s ILE 289 CO -0.22 0.03 0.28 0.00 0.00 0.00 0.00 174.94 175.04 3dwg s ALA 290 N 1.48 3.72 0.02 9.38 0.00 -0.53 -0.88 121.76 134.95 3dwg s ALA 290 Ca 0.02 -0.43 0.03 0.00 0.00 0.00 0.00 51.96 51.57 3dwg s ALA 290 Cb -0.18 -2.25 -0.01 0.00 0.00 0.00 0.00 23.12 20.68 3dwg s ALA 290 CO 0.02 0.40 -0.08 -0.48 0.00 0.00 0.00 175.76 175.62 3dwg s LEU 291 N -0.56 2.13 -0.02 0.00 0.05 -0.03 -0.40 118.68 119.85 3dwg s LEU 291 Ca 0.18 -0.34 -0.25 0.00 0.05 0.00 0.00 54.13 53.78 3dwg s LEU 291 Cb -0.14 -0.32 -0.04 0.00 -2.05 0.00 0.00 46.19 43.63 3dwg s LEU 291 CO 0.07 -0.03 0.77 -0.69 -0.55 0.00 0.00 176.35 175.92 3dwg s VAL 292 N -0.72 4.91 -0.59 1.48 1.01 -0.63 -1.02 120.40 124.84 3dwg s VAL 292 Ca -0.02 1.60 -0.13 0.00 0.00 0.00 0.00 61.98 63.43 3dwg s VAL 292 Cb -0.06 -4.11 0.15 0.00 0.00 0.00 0.00 36.38 32.36 3dwg s VAL 292 CO 0.00 0.28 0.52 -0.69 0.00 0.00 0.00 175.10 175.21 3dwg s VAL 293 N 0.53 4.97 0.24 2.92 1.01 -0.16 -4.77 120.40 125.13 3dwg s VAL 293 Ca 0.40 -1.88 0.08 0.00 0.00 0.00 0.00 61.98 60.58 3dwg s VAL 293 Cb -0.19 -4.18 -0.06 0.00 0.00 0.00 0.00 36.38 31.95 3dwg s VAL 293 CO 0.21 -0.88 1.54 0.00 0.00 0.00 0.00 175.10 175.97 3dwg h ALA 294 N 8.42 0.84 -2.98 5.51 0.00 -1.92 -0.45 119.26 128.67 3dwg h ALA 294 Ca -0.17 -0.62 0.03 0.00 0.00 0.00 0.00 54.91 54.16 3dwg h ALA 294 Cb 1.07 -0.10 -0.08 0.00 0.00 0.00 0.00 17.79 18.68 3dwg h ALA 294 CO 0.91 0.84 0.20 0.16 0.00 0.00 0.00 179.25 181.35 3dwg s ASP 295 N -6.85 -0.35 0.78 0.00 -4.77 -1.26 -0.83 116.67 103.40 3dwg s ASP 295 Ca -0.02 -0.43 -0.08 0.00 -3.30 0.00 0.00 52.55 48.73 3dwg s ASP 295 Cb 0.12 0.67 0.12 0.00 -1.09 0.00 0.00 42.92 42.74 3dwg s ASP 295 CO 0.78 -1.21 1.10 0.00 0.70 0.00 0.00 175.17 176.54 3dwg s ALA 296 N -3.87 3.05 -0.58 2.11 0.00 -1.26 -0.93 121.76 120.29 3dwg s ALA 296 Ca 0.08 -1.24 0.23 0.00 0.00 0.00 0.00 51.96 51.03 3dwg s ALA 296 Cb -0.04 -2.47 0.93 0.00 0.00 0.00 0.00 23.12 21.53 3dwg s ALA 296 CO 0.00 -1.67 1.70 0.41 0.00 0.00 0.00 175.76 176.19 3dwg n GLY 297 N -3.14 -1.30 0.31 0.00 0.00 -0.48 -2.84 105.19 97.74 3dwg n GLY 297 Ca 0.12 0.05 0.02 0.00 0.00 0.00 0.00 46.02 46.22 3dwg n GLY 297 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 3dwg h TRP 298 N 0.00 0.91 0.00 1.61 4.06 -1.89 0.53 115.95 121.17 3dwg h TRP 298 Ca 0.00 0.03 0.00 0.00 2.06 0.00 0.00 58.89 60.98 3dwg h TRP 298 Cb 0.40 -0.28 0.00 0.00 -1.00 0.00 0.00 29.16 28.28 3dwg h TRP 298 CO 0.00 0.40 0.00 1.63 -3.56 0.00 0.00 178.44 176.91 3dwg n LYS 299 N -4.70 0.84 0.00 0.49 5.02 -1.26 -2.92 118.16 115.63 3dwg n LYS 299 Ca 0.13 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.42 3dwg n LYS 299 Cb 0.24 -1.14 0.00 0.00 -0.02 0.00 0.00 35.03 34.12 3dwg n LYS 299 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 3dwg n TYR 300 N -0.64 0.00 -0.24 2.13 4.01 0.17 -4.54 117.16 118.05 3dwg n TYR 300 Ca 0.05 -0.14 -0.04 0.00 -0.16 0.00 0.00 57.90 57.61 3dwg n TYR 300 Cb 0.02 -0.01 0.11 0.00 -0.31 0.00 0.00 39.34 39.15 3dwg n TYR 300 CO 0.00 0.00 0.00 -0.07 -0.46 0.00 0.00 176.86 176.33 3dwg h LEU 301 N 0.00 1.00 -2.50 7.72 3.38 -1.50 -1.97 115.31 121.44 3dwg h LEU 301 Ca 0.00 -0.15 -0.00 0.00 0.09 0.00 0.00 57.88 57.81 3dwg h LEU 301 Cb 0.14 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.63 3dwg h LEU 301 CO 0.00 0.90 -0.02 0.77 0.09 0.00 0.00 178.44 180.18 3dwg h SER 302 N 1.06 0.00 0.89 -0.43 4.64 -1.84 -2.58 113.55 115.28 3dwg h SER 302 Ca 0.24 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.56 3dwg h SER 302 Cb 0.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.31 3dwg h SER 302 CO -0.02 0.02 0.00 0.71 -0.87 0.00 0.00 176.83 176.67 3dwg h THR 303 N 0.00 0.00 0.00 2.95 1.35 -1.69 -3.47 112.91 112.05 3dwg h THR 303 Ca -0.00 -0.43 0.00 0.00 -0.55 0.00 0.00 66.41 65.43 3dwg h THR 303 Cb 0.15 1.39 0.00 0.00 -1.73 0.00 0.00 68.15 67.96 3dwg h THR 303 CO 0.00 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.88 3dwg n GLY 304 N -0.08 1.27 0.30 5.82 0.00 -0.97 -4.69 105.19 106.83 3dwg n GLY 304 Ca 0.00 0.00 0.19 0.00 0.00 0.00 0.00 46.02 46.22 3dwg n GLY 304 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dwg h ALA 305 N 0.00 1.00 -0.27 4.61 0.00 -1.80 -1.56 119.26 121.24 3dwg h ALA 305 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3dwg h ALA 305 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3dwg h ALA 305 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 179.25 179.91 3dwg n TYR 306 N -3.06 0.35 -4.32 0.00 4.01 -1.26 -4.90 117.16 107.97 3dwg n TYR 306 Ca -0.01 -0.17 -0.17 0.00 -0.16 0.00 0.00 57.90 57.39 3dwg n TYR 306 Cb 0.21 0.00 -0.10 0.00 -0.31 0.00 0.00 39.34 39.14 3dwg n TYR 306 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3dwg s ALA 307 N -1.65 1.76 0.00 -0.72 0.00 -0.59 -5.11 121.76 115.45 3dwg s ALA 307 Ca 0.34 -1.87 0.00 0.00 0.00 0.00 0.00 51.96 50.44 3dwg s ALA 307 Cb 0.19 0.98 0.00 0.00 0.00 0.00 0.00 23.12 24.29 3dwg s ALA 307 CO 0.28 -0.43 0.00 0.41 0.00 0.00 0.00 175.76 176.01 3dwg n GLY 308 N -0.47 -1.62 3.79 0.00 0.00 -1.26 -4.80 105.19 100.83 3dwg n GLY 308 Ca -0.01 -1.25 -0.36 0.00 0.00 0.00 0.00 46.02 44.40 3dwg n GLY 308 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3dwg s SER 309 N -4.00 7.18 0.33 1.61 1.04 -1.26 -4.94 113.70 113.66 3dwg s SER 309 Ca 0.00 1.79 0.11 0.00 0.48 0.00 0.00 55.95 58.33 3dwg s SER 309 Cb 0.00 -2.57 0.97 0.00 0.10 0.00 0.00 66.02 64.52 3dwg s SER 309 CO 0.00 -0.18 1.69 0.25 0.98 0.00 0.00 173.24 175.98 3dwg h LEU 310 N 2.71 0.53-10.07 2.42 5.85 -1.95 -3.09 115.31 111.71 3dwg h LEU 310 Ca -0.48 0.17 -0.46 0.00 0.84 0.00 0.00 57.88 57.95 3dwg h LEU 310 Cb 1.19 0.11 0.01 0.00 0.37 0.00 0.00 40.66 42.33 3dwg h LEU 310 CO 0.63 -0.04 0.37 -1.81 -0.34 0.00 0.00 178.44 177.25 3dwg s ASP 311 N -5.04 6.57 0.00 1.25 1.01 -1.26 -3.36 116.67 115.84 3dwg s ASP 311 Ca -0.10 1.82 0.00 0.00 0.71 0.00 0.00 52.55 54.98 3dwg s ASP 311 Cb 0.28 -2.55 0.00 0.00 1.01 0.00 0.00 42.92 41.66 3dwg s ASP 311 CO 0.79 -0.62 0.00 -0.90 0.21 0.00 0.00 175.17 174.65 3dwg n ASP 312 N -0.88 0.00 -0.12 0.27 5.68 -1.26 -4.67 116.55 115.57 3dwg n ASP 312 Ca 0.08 0.00 -0.13 0.00 -0.50 0.00 0.00 54.79 54.25 3dwg n ASP 312 Cb 0.53 0.00 -0.02 0.00 -1.14 0.00 0.00 41.12 40.49 3dwg n ASP 312 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3dwg h ALA 313 N 0.00 0.54 -0.20 2.12 0.00 -1.54 0.23 119.26 120.41 3dwg h ALA 313 Ca 0.00 -0.41 0.05 0.00 0.00 0.00 0.00 54.91 54.55 3dwg h ALA 313 Cb 0.00 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 17.62 3dwg h ALA 313 CO 0.00 0.57 -0.11 1.49 0.00 0.00 0.00 179.25 181.20 3dwg h GLU 314 N 0.66 -0.09 -0.71 0.00 4.81 -1.83 0.14 114.58 117.56 3dwg h GLU 314 Ca 0.07 0.01 -0.05 0.00 -0.13 0.00 0.00 59.36 59.26 3dwg h GLU 314 Cb 0.86 0.02 -0.03 0.00 0.63 0.00 0.00 28.75 30.23 3dwg h GLU 314 CO 0.07 -0.06 0.25 1.15 -0.73 0.00 0.00 179.01 179.70 3dwg h THR 315 N -0.09 1.25 -0.94 0.32 2.02 -1.89 -1.67 112.91 111.91 3dwg h THR 315 Ca 0.11 -0.84 0.10 0.00 0.77 0.00 0.00 66.41 66.56 3dwg h THR 315 Cb 0.26 0.46 -0.07 0.00 -1.74 0.00 0.00 68.15 67.06 3dwg h THR 315 CO -0.26 0.33 0.60 0.00 0.37 0.00 0.00 175.52 176.56 3dwg h ALA 316 N 1.12 1.59 -0.01 6.16 0.00 0.02 -2.98 119.26 125.16 3dwg h ALA 316 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.15 3dwg h ALA 316 Cb 0.26 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.83 3dwg h ALA 316 CO -0.01 0.21 -0.31 1.28 0.00 0.00 0.00 179.25 180.42 3dwg n LEU 317 N -4.56 1.27 -0.27 0.00 4.77 0.42 -4.53 117.00 114.10 3dwg n LEU 317 Ca 0.17 -0.38 0.04 0.00 -0.03 0.00 0.00 56.01 55.80 3dwg n LEU 317 Cb 0.32 -0.09 0.17 0.00 -2.33 0.00 0.00 43.42 41.49 3dwg n LEU 317 CO 0.30 0.24 1.08 -0.08 -1.33 0.00 0.00 177.39 177.59 3dwg h GLU 318 N 1.51 0.59 -0.32 3.23 4.57 -1.16 -0.22 114.58 122.78 3dwg h GLU 318 Ca 0.00 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.14 3dwg h GLU 318 Cb 0.56 -0.13 0.00 0.00 -0.16 0.00 0.00 28.75 29.02 3dwg h GLU 318 CO 0.00 0.39 0.00 0.41 -1.18 0.00 0.00 179.01 178.63 3dwg n GLY 319 N -1.32 0.56 3.42 1.92 0.00 -1.26 -3.56 105.19 104.95 3dwg n GLY 319 Ca 0.14 -0.38 -0.28 0.00 0.00 0.00 0.00 46.02 45.50 3dwg n GLY 319 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3dwg s GLN 320 N -1.58 1.50 0.31 1.61 -1.52 -0.10 -4.84 119.66 115.05 3dwg s GLN 320 Ca 0.25 -1.43 -0.15 0.00 -1.95 0.00 0.00 55.36 52.08 3dwg s GLN 320 Cb 0.13 -1.89 -0.09 0.00 -0.22 0.00 0.00 33.01 30.94 3dwg s GLN 320 CO 0.17 0.43 0.73 -0.51 -0.25 0.00 0.00 175.29 175.86 3dwg s LEU 321 N -2.39 4.10 -0.00 2.90 1.43 0.21 -4.72 118.68 120.20 3dwg s LEU 321 Ca 0.18 1.29 0.03 0.00 -1.03 0.00 0.00 54.13 54.60 3dwg s LEU 321 Cb -0.09 -4.01 0.05 0.00 0.03 0.00 0.00 46.19 42.16 3dwg s LEU 321 CO 0.08 -0.18 1.02 -2.67 0.23 0.00 0.00 176.35 174.84 3dwg n TRP 322 N -0.23 0.00 -1.72 0.29 4.27 -1.26 -4.56 117.44 114.23 3dwg n TRP 322 Ca 0.03 -0.06 0.00 0.00 -3.89 0.00 0.00 57.50 53.57 3dwg n TRP 322 Cb 0.53 -0.06 0.00 0.00 -1.36 0.00 0.00 31.31 30.42 3dwg n TRP 322 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40