#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3bsm s LYS 4 N 0.00 2.60 -0.44 1.47 1.02 -1.26 -2.65 119.74 120.48 3bsm s LYS 4 Ca 0.00 1.39 -0.26 0.00 0.02 0.00 0.00 55.97 57.12 3bsm s LYS 4 Cb 0.00 -1.92 0.03 0.00 -0.52 0.00 0.00 37.83 35.41 3bsm s LYS 4 CO 0.00 -1.41 0.97 0.42 -0.92 0.00 0.00 175.35 174.41 3bsm s ILE 5 N -2.41 4.44 -0.03 2.17 1.01 0.18 -0.55 121.20 126.02 3bsm s ILE 5 Ca 0.67 0.94 0.09 0.00 0.00 0.00 0.00 60.65 62.35 3bsm s ILE 5 Cb -0.21 -4.45 -0.23 0.00 0.01 0.00 0.00 42.46 37.58 3bsm s ILE 5 CO 0.45 -0.80 0.71 0.08 0.00 0.00 0.00 174.94 175.38 3bsm h ARG 6 N 8.97 0.04 -2.61 2.79 -0.00 -1.39 0.34 114.38 122.54 3bsm h ARG 6 Ca -0.24 -0.07 -0.09 0.00 -0.00 0.00 0.00 59.98 59.57 3bsm h ARG 6 Cb 1.07 0.03 -0.20 0.00 -0.00 0.00 0.00 29.97 30.87 3bsm h ARG 6 CO 1.04 0.66 -0.09 0.34 -0.00 0.00 0.00 179.97 181.92 3bsm s ASP 7 N -6.31 -0.40 -0.18 0.08 2.15 -0.92 -4.88 116.67 106.21 3bsm s ASP 7 Ca -0.06 0.41 -0.15 0.00 0.43 0.00 0.00 52.55 53.19 3bsm s ASP 7 Cb 0.08 0.47 0.05 0.00 -0.30 0.00 0.00 42.92 43.22 3bsm s ASP 7 CO 0.82 -0.48 0.46 0.00 -0.17 0.00 0.00 175.17 175.80 3bsm s ALA 8 N -1.10 -1.15 0.16 3.66 0.00 -1.26 0.21 121.76 122.28 3bsm s ALA 8 Ca -0.11 1.37 -0.22 0.00 0.00 0.00 0.00 51.96 53.00 3bsm s ALA 8 Cb -0.03 -0.81 0.06 0.00 0.00 0.00 0.00 23.12 22.35 3bsm s ALA 8 CO 0.06 -0.23 0.57 1.52 0.00 0.00 0.00 175.76 177.68 3bsm s TYR 9 N 0.49 -0.49 0.28 0.00 1.13 -0.41 -4.96 117.35 113.38 3bsm s TYR 9 Ca -0.02 0.27 -0.00 0.00 -1.41 0.00 0.00 57.07 55.91 3bsm s TYR 9 Cb -0.04 0.52 -0.04 0.00 -1.10 0.00 0.00 41.96 41.30 3bsm s TYR 9 CO -0.02 -0.83 0.48 0.95 -2.51 0.00 0.00 175.55 173.61 3bsm s THR 10 N -3.76 5.14 -0.09 -3.49 -4.23 -1.26 -0.72 115.64 107.23 3bsm s THR 10 Ca 0.01 -0.43 -0.02 0.00 -1.18 0.00 0.00 61.69 60.08 3bsm s THR 10 Cb -0.01 -3.81 0.04 0.00 1.34 0.00 0.00 72.50 70.06 3bsm s THR 10 CO -0.13 -0.38 0.02 -0.63 -0.54 0.00 0.00 174.62 172.96 3bsm s ILE 11 N -2.11 0.32 -0.25 2.99 1.01 0.16 -4.95 121.20 118.38 3bsm s ILE 11 Ca 0.39 0.03 -0.05 0.00 0.00 0.00 0.00 60.65 61.02 3bsm s ILE 11 Cb -0.10 -0.58 -0.01 0.00 0.01 0.00 0.00 42.46 41.79 3bsm s ILE 11 CO 0.32 0.14 0.02 0.54 0.00 0.00 0.00 174.94 175.97 3bsm s VAL 12 N 1.98 3.75 0.21 2.92 0.11 -1.26 -1.00 120.40 127.11 3bsm s VAL 12 Ca 0.04 -0.50 0.04 0.00 -2.93 0.00 0.00 61.98 58.64 3bsm s VAL 12 Cb -0.13 -2.79 -0.05 0.00 -1.53 0.00 0.00 36.38 31.87 3bsm s VAL 12 CO -0.06 0.29 -0.05 0.28 -3.33 0.00 0.00 175.10 172.24 3bsm s THR 13 N 1.51 1.20 -0.35 5.04 -1.32 -0.80 -4.27 115.64 116.65 3bsm s THR 13 Ca 0.05 -2.07 0.15 0.00 -1.21 0.00 0.00 61.69 58.61 3bsm s THR 13 Cb -0.15 -2.21 0.42 0.00 -1.51 0.00 0.00 72.50 69.05 3bsm s THR 13 CO -0.00 -0.45 0.90 0.00 -2.21 0.00 0.00 174.62 172.86 3bsm n PRO 15 N -0.00 1.81 0.00 0.00 -0.04 -1.26 -3.69 135.00 131.82 3bsm n PRO 15 Ca 0.16 -1.17 0.00 0.00 -0.04 0.00 0.00 63.50 62.46 3bsm n PRO 15 Cb 0.75 -2.22 0.00 0.00 -0.04 0.00 0.00 33.50 31.99 3bsm n PRO 15 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3bsm n GLY 16 N 3.37 3.79 3.60 0.55 0.00 -1.26 -3.07 105.19 112.17 3bsm n GLY 16 Ca 0.39 -0.97 -0.09 0.00 0.00 0.00 0.00 46.02 45.34 3bsm n GLY 16 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3bsm s ARG 17 N 0.00 1.48 0.27 1.61 1.70 -1.24 -5.13 118.95 117.64 3bsm s ARG 17 Ca 0.00 -0.82 -0.29 0.00 -0.47 0.00 0.00 55.73 54.15 3bsm s ARG 17 Cb 0.00 0.56 -0.10 0.00 -0.57 0.00 0.00 34.95 34.85 3bsm s ARG 17 CO 0.00 -0.65 1.24 -0.80 -1.08 0.00 0.00 175.30 174.02 3bsm s ASN 18 N -2.86 6.96 -0.02 -2.89 0.01 -1.26 -4.07 114.94 110.81 3bsm s ASN 18 Ca 0.08 2.47 -0.01 0.00 -0.71 0.00 0.00 52.86 54.70 3bsm s ASN 18 Cb -0.02 -2.63 0.02 0.00 0.41 0.00 0.00 41.25 39.02 3bsm s ASN 18 CO -0.02 -0.42 0.05 -0.36 -1.51 0.00 0.00 177.10 174.84 3bsm s PHE 19 N -0.75 -0.03 -0.12 2.20 0.08 -0.16 -4.97 117.98 114.22 3bsm s PHE 19 Ca 0.50 0.16 0.01 0.00 0.12 0.00 0.00 56.93 57.72 3bsm s PHE 19 Cb -0.36 -0.09 -0.01 0.00 -0.57 0.00 0.00 43.02 41.99 3bsm s PHE 19 CO 0.45 -0.06 -0.17 0.08 -0.10 0.00 0.00 175.22 175.41 3bsm s VAL 20 N 0.55 2.68 0.02 -0.44 1.01 -1.26 -1.90 120.40 121.06 3bsm s VAL 20 Ca -0.04 -0.80 0.05 0.00 0.00 0.00 0.00 61.98 61.19 3bsm s VAL 20 Cb -0.06 -2.09 -0.02 0.00 0.00 0.00 0.00 36.38 34.21 3bsm s VAL 20 CO -0.02 0.54 -0.16 -0.89 0.00 0.00 0.00 175.10 174.57 3bsm s THR 21 N 0.33 1.24 -0.12 3.92 2.01 -0.17 -0.85 115.64 122.00 3bsm s THR 21 Ca -0.14 -0.87 -0.01 0.00 0.31 0.00 0.00 61.69 60.98 3bsm s THR 21 Cb -0.17 -1.07 -0.03 0.00 0.01 0.00 0.00 72.50 71.25 3bsm s THR 21 CO 0.07 0.19 -0.07 -0.22 -0.69 0.00 0.00 174.62 173.90 3bsm s LEU 22 N -0.79 3.11 -0.05 4.42 2.96 -0.45 0.39 118.68 128.26 3bsm s LEU 22 Ca 0.04 -0.13 0.06 0.00 -0.22 0.00 0.00 54.13 53.88 3bsm s LEU 22 Cb -0.07 -1.71 -0.01 0.00 0.50 0.00 0.00 46.19 44.90 3bsm s LEU 22 CO 0.01 0.24 -0.24 -0.75 -1.32 0.00 0.00 176.35 174.28 3bsm s LYS 23 N -0.05 2.44 -0.07 1.98 2.20 0.10 -1.29 119.74 125.06 3bsm s LYS 23 Ca 0.00 -0.88 0.03 0.00 -0.36 0.00 0.00 55.97 54.77 3bsm s LYS 23 Cb -0.13 -2.09 0.01 0.00 -1.51 0.00 0.00 37.83 34.10 3bsm s LYS 23 CO 0.03 0.38 -0.17 0.42 -0.36 0.00 0.00 175.35 175.65 3bsm s ILE 24 N -0.17 1.45 -0.10 5.43 1.01 0.11 -1.29 121.20 127.64 3bsm s ILE 24 Ca -0.03 -0.68 0.04 0.00 0.00 0.00 0.00 60.65 59.98 3bsm s ILE 24 Cb -0.13 -1.28 0.00 0.00 0.01 0.00 0.00 42.46 41.06 3bsm s ILE 24 CO 0.03 0.42 -0.22 -0.69 0.00 0.00 0.00 174.94 174.48 3bsm s VAL 25 N 0.40 1.92 0.52 2.92 1.01 0.13 -0.58 120.40 126.73 3bsm s VAL 25 Ca -0.13 -0.94 -0.04 0.00 0.00 0.00 0.00 61.98 60.87 3bsm s VAL 25 Cb -0.15 -1.67 -0.01 0.00 0.00 0.00 0.00 36.38 34.55 3bsm s VAL 25 CO 0.05 0.53 0.80 0.42 0.00 0.00 0.00 175.10 176.90 3bsm s THR 26 N 0.41 4.14 0.54 3.92 -4.23 0.11 -1.13 115.64 119.40 3bsm s THR 26 Ca -0.18 -0.08 0.21 0.00 -1.18 0.00 0.00 61.69 60.46 3bsm s THR 26 Cb -0.18 -3.59 0.30 0.00 1.34 0.00 0.00 72.50 70.38 3bsm s THR 26 CO 0.08 -0.55 2.17 1.05 -0.54 0.00 0.00 174.62 176.83 3bsm h GLU 27 N 0.10 0.00 0.00 3.99 9.09 -1.12 0.20 114.58 126.85 3bsm h GLU 27 Ca -0.46 0.00 0.00 0.00 0.05 0.00 0.00 59.36 58.95 3bsm h GLU 27 Cb 1.24 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.34 3bsm h GLU 27 CO 0.60 0.00 0.00 -1.13 0.05 0.00 0.00 179.01 178.53 3bsm n SER 28 N -4.31 0.00 0.00 3.06 3.41 -1.26 -4.88 113.62 109.63 3bsm n SER 28 Ca -0.02 -1.13 0.00 0.00 -0.26 0.00 0.00 58.87 57.46 3bsm n SER 28 Cb 0.13 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.08 3bsm n SER 28 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3bsm n GLY 29 N 0.70 2.89 3.68 5.00 0.00 0.06 -5.04 105.19 112.49 3bsm n GLY 29 Ca 0.16 -0.40 -0.42 0.00 0.00 0.00 0.00 46.02 45.37 3bsm n GLY 29 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3bsm n THR 30 N 0.00 2.38 -4.28 2.61 -1.04 -1.26 -4.55 114.28 108.14 3bsm n THR 30 Ca 0.00 -0.50 -0.15 0.00 -2.04 0.00 0.00 64.05 61.36 3bsm n THR 30 Cb 0.00 -1.48 -0.10 0.00 -1.82 0.00 0.00 70.33 66.93 3bsm n THR 30 CO 0.00 0.00 0.00 -1.38 -0.64 0.00 0.00 175.07 173.05 3bsm s HIS 31 N -1.18 1.39 0.04 -1.42 -3.43 -1.26 0.07 115.29 109.50 3bsm s HIS 31 Ca 0.60 -1.10 -0.14 0.00 -0.80 0.00 0.00 55.06 53.61 3bsm s HIS 31 Cb -0.54 -0.80 0.02 0.00 -1.43 0.00 0.00 32.58 29.83 3bsm s HIS 31 CO 0.59 -0.28 0.31 0.20 -2.00 0.00 0.00 174.74 173.56 3bsm s GLY 32 N -3.25 -0.13 0.12 -1.38 0.00 0.25 -4.46 107.32 98.48 3bsm s GLY 32 Ca 0.31 0.04 0.05 0.00 0.00 0.00 0.00 44.72 45.13 3bsm s GLY 32 CO 0.09 -0.17 -0.12 -0.26 0.00 0.00 0.00 173.10 172.64 3bsm s ILE 33 N -2.43 1.19 -0.06 0.90 -4.36 -1.26 -0.71 121.20 114.47 3bsm s ILE 33 Ca -0.06 -1.80 -0.09 0.00 -0.26 0.00 0.00 60.65 58.44 3bsm s ILE 33 Cb -0.01 -1.58 0.02 0.00 1.25 0.00 0.00 42.46 42.13 3bsm s ILE 33 CO -0.03 -0.55 0.22 -0.83 0.24 0.00 0.00 174.94 173.99 3bsm s GLY 34 N -2.67 -0.12 0.21 6.27 0.00 -0.41 -3.24 107.32 107.36 3bsm s GLY 34 Ca 0.10 0.43 -0.30 0.00 0.00 0.00 0.00 44.72 44.96 3bsm s GLY 34 CO 0.02 0.32 1.13 -0.35 0.00 0.00 0.00 173.10 174.21 3bsm s ASP 35 N -0.38 7.22 -0.06 1.64 2.15 -1.26 -1.35 116.67 124.63 3bsm s ASP 35 Ca -0.05 2.19 0.11 0.00 0.43 0.00 0.00 52.55 55.23 3bsm s ASP 35 Cb -0.03 -2.61 0.20 0.00 -0.30 0.00 0.00 42.92 40.17 3bsm s ASP 35 CO 0.01 -0.24 1.09 0.00 -0.17 0.00 0.00 175.17 175.87 3bsm n ALA 36 N 2.00 2.31 -2.50 3.66 0.00 -0.03 -3.63 120.51 122.32 3bsm n ALA 36 Ca 0.02 -1.94 -0.43 0.00 0.00 0.00 0.00 53.44 51.09 3bsm n ALA 36 Cb 0.45 -0.49 -0.02 0.00 0.00 0.00 0.00 19.45 19.39 3bsm n ALA 36 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3bsm s THR 37 N -1.17 4.36 -0.53 0.00 2.01 -1.16 -4.67 115.64 114.47 3bsm s THR 37 Ca 0.19 1.61 0.03 0.00 0.31 0.00 0.00 61.69 63.83 3bsm s THR 37 Cb 0.18 -4.15 0.13 0.00 0.01 0.00 0.00 72.50 68.68 3bsm s THR 37 CO -0.03 -0.27 0.28 -0.22 -0.69 0.00 0.00 174.62 173.69 3bsm s LEU 38 N 3.67 4.49 -0.27 4.42 2.96 -1.26 -4.87 118.68 127.82 3bsm s LEU 38 Ca 0.52 -2.94 -0.43 0.00 -0.22 0.00 0.00 54.13 51.06 3bsm s LEU 38 Cb -0.18 -1.68 -0.19 0.00 0.50 0.00 0.00 46.19 44.65 3bsm s LEU 38 CO 0.15 -0.26 1.45 -3.20 -1.32 0.00 0.00 176.35 173.17 3bsm n ASN 39 N 3.23 1.11 0.00 3.68 5.15 -1.26 -0.99 115.26 126.18 3bsm n ASN 39 Ca 0.05 1.16 0.00 0.00 -0.60 0.00 0.00 54.58 55.19 3bsm n ASN 39 Cb 0.34 -0.96 0.00 0.00 -0.53 0.00 0.00 39.78 38.62 3bsm n ASN 39 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3bsm n GLY 40 N 3.20 1.73 1.25 8.20 0.00 -1.26 -4.74 105.19 113.57 3bsm n GLY 40 Ca 0.26 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.27 3bsm n GLY 40 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3bsm n ARG 41 N -2.00 0.00 -0.26 1.61 5.12 -0.16 -4.98 116.66 116.00 3bsm n ARG 41 Ca 0.00 -1.52 0.06 0.00 -1.93 0.00 0.00 57.85 54.46 3bsm n ARG 41 Cb 0.00 0.23 0.19 0.00 -1.16 0.00 0.00 32.46 31.72 3bsm n ARG 41 CO 0.00 0.00 0.00 0.93 -1.93 0.00 0.00 177.63 176.63 3bsm h GLU 42 N 0.52 0.38 0.00 5.56 3.07 -1.49 -1.71 114.58 120.91 3bsm h GLU 42 Ca -0.38 -0.02 -0.01 0.00 -0.50 0.00 0.00 59.36 58.44 3bsm h GLU 42 Cb 1.66 -0.09 -0.00 0.00 -0.84 0.00 0.00 28.75 29.49 3bsm h GLU 42 CO -0.08 0.25 -0.05 0.52 -1.40 0.00 0.00 179.01 178.25 3bsm h MET 43 N 0.39 0.00 -0.30 2.33 2.86 -1.93 -2.01 114.93 116.27 3bsm h MET 43 Ca 0.42 0.00 -0.09 0.00 -2.06 0.00 0.00 59.70 57.97 3bsm h MET 43 Cb 0.68 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.33 3bsm h MET 43 CO -0.44 0.05 -0.16 0.00 1.06 0.00 0.00 176.91 177.42 3bsm h ALA 44 N 1.95 0.43 -0.25 6.32 0.00 -1.70 -1.91 119.26 124.10 3bsm h ALA 44 Ca -0.00 -0.34 -0.11 0.00 0.00 0.00 0.00 54.91 54.46 3bsm h ALA 44 Cb 0.35 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.04 3bsm h ALA 44 CO 0.01 0.33 -0.28 0.28 0.00 0.00 0.00 179.25 179.59 3bsm h VAL 45 N 0.40 1.31 -0.52 0.00 2.07 -1.52 -1.69 116.25 116.30 3bsm h VAL 45 Ca 0.07 -1.45 0.07 0.00 0.82 0.00 0.00 66.70 66.21 3bsm h VAL 45 Cb 0.69 1.67 -0.06 0.00 -1.52 0.00 0.00 31.29 32.06 3bsm h VAL 45 CO 0.05 0.46 0.19 0.00 0.02 0.00 0.00 177.57 178.28 3bsm h ALA 46 N 0.67 0.64 -0.45 1.67 0.00 -1.33 -0.06 119.26 120.40 3bsm h ALA 46 Ca 0.04 0.07 -0.12 0.00 0.00 0.00 0.00 54.91 54.90 3bsm h ALA 46 Cb 0.85 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.67 3bsm h ALA 46 CO 0.07 -0.21 -0.19 0.00 0.00 0.00 0.00 179.25 178.92 3bsm h ALA 47 N 1.35 0.81 -0.07 0.00 0.00 -1.32 -0.66 119.26 119.38 3bsm h ALA 47 Ca 0.25 -0.37 0.03 0.00 0.00 0.00 0.00 54.91 54.82 3bsm h ALA 47 Cb 0.28 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 3bsm h ALA 47 CO -0.26 0.65 -0.10 -0.92 0.00 0.00 0.00 179.25 178.62 3bsm h TYR 48 N 0.78 -0.25 0.58 0.00 3.20 -0.32 0.15 116.97 121.10 3bsm h TYR 48 Ca 0.11 0.01 -0.03 0.00 3.14 0.00 0.00 58.73 61.97 3bsm h TYR 48 Cb 0.73 0.12 0.01 0.00 1.54 0.00 0.00 36.73 39.13 3bsm h TYR 48 CO 0.04 -0.15 -0.28 -0.07 -1.64 0.00 0.00 178.16 176.06 3bsm h LEU 49 N -0.14 -0.66 0.53 2.82 3.38 -0.95 -1.81 115.31 118.49 3bsm h LEU 49 Ca 0.06 -0.04 -0.02 0.00 0.09 0.00 0.00 57.88 57.98 3bsm h LEU 49 Cb 0.23 0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.13 3bsm h LEU 49 CO -0.15 -0.31 -0.47 0.44 0.09 0.00 0.00 178.44 178.03 3bsm h ASP 50 N -1.03 -1.28 1.03 -0.43 3.45 -1.07 0.37 116.42 117.46 3bsm h ASP 50 Ca -0.08 0.10 0.00 0.00 0.43 0.00 0.00 57.03 57.48 3bsm h ASP 50 Cb 0.66 0.41 0.00 0.00 -0.56 0.00 0.00 39.33 39.84 3bsm h ASP 50 CO 0.13 -0.65 0.00 -0.33 -1.57 0.00 0.00 179.24 176.82 3bsm h GLU 51 N -0.99 0.00 0.00 3.56 4.39 -0.84 -3.39 114.58 117.31 3bsm h GLU 51 Ca -0.07 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.63 3bsm h GLU 51 Cb 0.84 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.49 3bsm h GLU 51 CO -0.03 0.00 -0.25 0.72 -1.16 0.00 0.00 179.01 178.30 3bsm n HIS 52 N -2.64 0.00 -0.06 4.33 8.25 -0.73 -4.91 115.22 119.45 3bsm n HIS 52 Ca 0.02 0.00 -0.14 0.00 -0.26 0.00 0.00 57.72 57.34 3bsm n HIS 52 Cb 0.31 0.09 -0.13 0.00 1.12 0.00 0.00 29.99 31.37 3bsm n HIS 52 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 3bsm h VAL 53 N 0.00 1.76 -0.29 1.59 2.07 -0.73 -3.36 116.25 117.29 3bsm h VAL 53 Ca 0.00 -2.29 0.07 0.00 0.82 0.00 0.00 66.70 65.29 3bsm h VAL 53 Cb 0.25 3.31 -0.07 0.00 -1.52 0.00 0.00 31.29 33.26 3bsm h VAL 53 CO 0.00 0.60 -0.19 0.58 0.02 0.00 0.00 177.57 178.57 3bsm h VAL 54 N -0.92 0.46 -0.92 2.57 2.07 -0.49 -1.88 116.25 117.14 3bsm h VAL 54 Ca -0.01 0.00 0.16 0.00 0.82 0.00 0.00 66.70 67.67 3bsm h VAL 54 Cb 1.01 0.46 -0.10 0.00 -1.52 0.00 0.00 31.29 31.15 3bsm h VAL 54 CO 0.01 0.00 0.51 -0.65 0.02 0.00 0.00 177.57 177.47 3bsm h PRO 55 N -0.17 0.69 0.00 1.57 0.11 -1.76 0.03 132.00 132.47 3bsm h PRO 55 Ca 0.15 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 66.22 3bsm h PRO 55 Cb 0.41 -0.16 -0.00 0.00 0.11 0.00 0.00 31.00 31.36 3bsm h PRO 55 CO -0.39 0.46 -0.01 0.00 -0.21 0.00 0.00 178.00 177.84 3bsm h ALA 56 N 1.59 1.00 0.00 -0.75 0.00 -1.50 -3.08 119.26 116.52 3bsm h ALA 56 Ca 0.51 -0.01 -0.18 0.00 0.00 0.00 0.00 54.91 55.22 3bsm h ALA 56 Cb 0.72 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.48 3bsm h ALA 56 CO -0.36 0.02 -0.86 -0.07 0.00 0.00 0.00 179.25 177.97 3bsm h LEU 57 N 0.00 0.00 -9.42 0.00 3.38 -0.38 -3.44 115.31 105.46 3bsm h LEU 57 Ca -0.00 0.00 -0.57 0.00 0.09 0.00 0.00 57.88 57.40 3bsm h LEU 57 Cb 0.60 0.00 0.04 0.00 0.09 0.00 0.00 40.66 41.38 3bsm h LEU 57 CO 0.00 0.86 1.04 -0.38 0.09 0.00 0.00 178.44 180.05 3bsm n ILE 58 N -3.51 0.37 0.00 1.22 2.08 -1.13 -1.94 119.36 116.45 3bsm n ILE 58 Ca -0.00 -0.07 0.00 0.00 0.56 0.00 0.00 62.75 63.24 3bsm n ILE 58 Cb 0.83 -1.90 0.00 0.00 -0.75 0.00 0.00 39.64 37.81 3bsm n ILE 58 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 3bsm n GLY 59 N 4.10 3.00 3.81 7.39 0.00 0.11 -4.98 105.19 118.62 3bsm n GLY 59 Ca 0.19 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.89 3bsm n GLY 59 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3bsm s ARG 60 N -0.71 3.31 -0.33 1.61 0.52 -0.82 -4.57 118.95 117.96 3bsm s ARG 60 Ca 0.00 1.11 -0.29 0.00 -0.52 0.00 0.00 55.73 56.03 3bsm s ARG 60 Cb 0.00 -2.04 0.02 0.00 0.52 0.00 0.00 34.95 33.45 3bsm s ARG 60 CO 0.00 -0.81 1.10 0.34 0.02 0.00 0.00 175.30 175.95 3bsm s ASP 61 N -3.07 6.89 0.08 0.23 3.68 -1.26 -0.64 116.67 122.57 3bsm s ASP 61 Ca 0.62 1.01 0.13 0.00 2.13 0.00 0.00 52.55 56.44 3bsm s ASP 61 Cb -0.15 -2.54 0.58 0.00 -1.45 0.00 0.00 42.92 39.36 3bsm s ASP 61 CO 0.41 -0.92 1.41 0.00 0.13 0.00 0.00 175.17 176.19 3bsm n ALA 62 N 7.00 1.42 0.95 3.66 0.00 -1.08 -2.37 120.51 130.09 3bsm n ALA 62 Ca 0.12 0.01 0.13 0.00 0.00 0.00 0.00 53.44 53.71 3bsm n ALA 62 Cb 0.47 -1.21 0.46 0.00 0.00 0.00 0.00 19.45 19.18 3bsm n ALA 62 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3bsm n GLY 63 N -0.53 -1.44 3.02 0.00 0.00 -1.26 -4.39 105.19 100.59 3bsm n GLY 63 Ca 0.02 -0.18 -0.43 0.00 0.00 0.00 0.00 46.02 45.43 3bsm n GLY 63 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3bsm n ARG 64 N -1.60 3.66 0.21 1.61 1.74 -1.00 -4.78 116.66 116.51 3bsm n ARG 64 Ca 0.06 -3.74 -0.14 0.00 -0.77 0.00 0.00 57.85 53.26 3bsm n ARG 64 Cb 0.35 -2.89 -0.08 0.00 -1.02 0.00 0.00 32.46 28.82 3bsm n ARG 64 CO 0.00 0.00 0.00 0.82 -1.52 0.00 0.00 177.63 176.93 3bsm h ILE 65 N 3.90 0.56 -0.32 0.55 2.04 -1.86 -1.45 117.51 120.92 3bsm h ILE 65 Ca 0.35 -0.42 0.06 0.00 1.00 0.00 0.00 64.86 65.86 3bsm h ILE 65 Cb 0.69 0.75 -0.06 0.00 -0.74 0.00 0.00 36.82 37.46 3bsm h ILE 65 CO 1.49 0.07 -0.07 -0.08 0.00 0.00 0.00 178.15 179.57 3bsm h GLU 66 N -0.80 0.01 -0.74 2.37 4.57 -1.98 -0.63 114.58 117.39 3bsm h GLU 66 Ca -0.06 -0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.11 3bsm h GLU 66 Cb 0.54 -0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 29.09 3bsm h GLU 66 CO 0.09 0.01 0.40 0.22 -1.18 0.00 0.00 179.01 178.55 3bsm h ASP 67 N 0.01 0.91 -0.35 1.04 3.58 -1.95 -1.49 116.42 118.17 3bsm h ASP 67 Ca 0.16 -0.07 -0.14 0.00 0.42 0.00 0.00 57.03 57.40 3bsm h ASP 67 Cb 0.23 -0.23 -0.01 0.00 1.72 0.00 0.00 39.33 41.05 3bsm h ASP 67 CO -0.32 0.73 -0.31 0.74 -2.88 0.00 0.00 179.24 177.20 3bsm h THR 68 N 1.03 1.28 0.37 2.25 2.02 -0.57 0.84 112.91 120.13 3bsm h THR 68 Ca 0.26 -1.48 -0.00 0.00 0.77 0.00 0.00 66.41 65.96 3bsm h THR 68 Cb 0.03 1.45 -0.02 0.00 -1.74 0.00 0.00 68.15 67.86 3bsm h THR 68 CO -0.04 0.49 -0.38 -0.25 0.37 0.00 0.00 175.52 175.70 3bsm h TRP 69 N 0.61 -1.03 -0.73 3.16 7.01 -0.72 0.61 115.95 124.87 3bsm h TRP 69 Ca 0.06 0.01 0.06 0.00 2.11 0.00 0.00 58.89 61.13 3bsm h TRP 69 Cb 0.89 0.40 -0.06 0.00 -2.10 0.00 0.00 29.16 28.29 3bsm h TRP 69 CO 0.07 -0.53 0.42 1.96 -2.79 0.00 0.00 178.44 177.57 3bsm h GLN 70 N -0.78 0.74 -0.33 2.65 1.08 -1.23 -0.11 115.11 117.14 3bsm h GLN 70 Ca -0.03 -0.04 0.03 0.00 -1.45 0.00 0.00 58.65 57.16 3bsm h GLN 70 Cb 0.70 -0.17 -0.03 0.00 -0.05 0.00 0.00 27.48 27.93 3bsm h GLN 70 CO -0.07 0.49 0.12 -0.92 -0.95 0.00 0.00 178.83 177.50 3bsm h TYR 71 N 0.77 0.22 -0.08 2.96 3.20 -0.32 -0.87 116.97 122.85 3bsm h TYR 71 Ca 0.33 0.02 -0.15 0.00 3.14 0.00 0.00 58.73 62.07 3bsm h TYR 71 Cb 0.20 -0.05 -0.01 0.00 1.54 0.00 0.00 36.73 38.41 3bsm h TYR 71 CO -0.07 0.10 -0.59 -0.07 -1.64 0.00 0.00 178.16 175.89 3bsm h LEU 72 N 0.27 0.29 -0.70 2.82 3.38 -0.41 -2.65 115.31 118.31 3bsm h LEU 72 Ca 0.15 -0.17 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 3bsm h LEU 72 Cb 0.11 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 40.74 3bsm h LEU 72 CO -0.14 0.82 0.40 0.22 0.09 0.00 0.00 178.44 179.83 3bsm h TYR 73 N 0.19 0.94 -0.67 1.13 3.20 -0.60 -2.34 116.97 118.83 3bsm h TYR 73 Ca -0.00 -0.01 -0.02 0.00 3.14 0.00 0.00 58.73 61.84 3bsm h TYR 73 Cb 1.09 -0.31 -0.03 0.00 1.54 0.00 0.00 36.73 39.03 3bsm h TYR 73 CO 0.02 0.65 0.36 0.00 -1.64 0.00 0.00 178.16 177.56 3bsm h ARG 74 N 0.96 0.95 -0.37 1.82 -0.00 -1.01 -2.13 114.38 114.60 3bsm h ARG 74 Ca 0.25 -0.12 0.05 0.00 -0.50 0.00 0.00 59.98 59.66 3bsm h ARG 74 Cb 0.00 -0.18 -0.02 0.00 0.00 0.00 0.00 29.97 29.77 3bsm h ARG 74 CO -0.04 0.72 0.25 0.78 0.00 0.00 0.00 179.97 181.68 3bsm h GLY 75 N 0.92 0.37 -0.01 0.04 0.00 -1.07 0.15 103.07 103.47 3bsm h GLY 75 Ca 0.24 -0.12 0.00 0.00 0.00 0.00 0.00 47.33 47.44 3bsm h GLY 75 CO -0.04 0.10 0.00 0.00 0.00 0.00 0.00 176.54 176.61 3bsm n ALA 76 N -2.52 2.51 -3.39 3.60 0.00 -0.92 -4.85 120.51 114.93 3bsm n ALA 76 Ca 0.04 -0.05 -0.18 0.00 0.00 0.00 0.00 53.44 53.25 3bsm n ALA 76 Cb 0.22 -1.03 0.08 0.00 0.00 0.00 0.00 19.45 18.71 3bsm n ALA 76 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3bsm n TYR 77 N -0.47 -2.26 -2.63 0.00 4.02 0.52 -2.50 117.16 113.83 3bsm n TYR 77 Ca 0.02 0.89 -0.15 0.00 -0.01 0.00 0.00 57.90 58.65 3bsm n TYR 77 Cb 0.02 -4.79 -0.00 0.00 -0.02 0.00 0.00 39.34 34.56 3bsm n TYR 77 CO 0.00 0.00 0.00 0.91 -1.01 0.00 0.00 176.86 176.76 3bsm n TRP 78 N -4.23 -1.49 -4.12 -0.72 8.01 -0.85 -4.95 117.44 109.09 3bsm n TRP 78 Ca -0.16 0.11 -0.34 0.00 -1.31 0.00 0.00 57.50 55.80 3bsm n TRP 78 Cb 0.62 -2.98 -0.07 0.00 -2.01 0.00 0.00 31.31 26.86 3bsm n TRP 78 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.69 177.71 3bsm s ARG 79 N -5.24 3.13 -0.21 -0.99 1.81 -1.04 -5.07 118.95 111.34 3bsm s ARG 79 Ca 0.09 -0.39 -0.11 0.00 -1.72 0.00 0.00 55.73 53.60 3bsm s ARG 79 Cb -0.04 -2.92 -0.05 0.00 -0.45 0.00 0.00 34.95 31.49 3bsm s ARG 79 CO 0.11 0.69 0.16 -0.98 -0.68 0.00 0.00 175.30 174.59 3bsm s ARG 80 N -1.39 4.16 -0.06 3.54 1.70 -1.26 -4.82 118.95 120.82 3bsm s ARG 80 Ca 0.19 -0.20 -0.30 0.00 -0.47 0.00 0.00 55.73 54.95 3bsm s ARG 80 Cb -0.12 -3.45 0.08 0.00 -0.57 0.00 0.00 34.95 30.89 3bsm s ARG 80 CO 0.09 0.22 0.76 0.20 -1.08 0.00 0.00 175.30 175.50 3bsm s GLY 81 N 0.57 -0.50 0.23 3.88 0.00 -1.26 -5.00 107.32 105.23 3bsm s GLY 81 Ca 0.09 1.43 -0.07 0.00 0.00 0.00 0.00 44.72 46.17 3bsm s GLY 81 CO 0.00 0.90 1.74 -0.56 0.00 0.00 0.00 173.10 175.19 3bsm h PRO 82 N 2.79 0.42 0.02 2.90 0.13 -1.94 0.15 132.00 136.48 3bsm h PRO 82 Ca -0.25 -0.03 -0.00 0.00 -0.87 0.00 0.00 66.00 64.85 3bsm h PRO 82 Cb 1.16 -0.10 0.00 0.00 0.13 0.00 0.00 31.00 32.19 3bsm h PRO 82 CO 0.37 0.28 -0.01 0.28 -0.23 0.00 0.00 178.00 178.69 3bsm h VAL 83 N 0.44 1.34 -0.03 1.56 2.07 -1.96 -2.67 116.25 116.99 3bsm h VAL 83 Ca 0.36 -1.14 0.03 0.00 0.82 0.00 0.00 66.70 66.77 3bsm h VAL 83 Cb 0.49 2.10 -0.04 0.00 -1.52 0.00 0.00 31.29 32.33 3bsm h VAL 83 CO -0.35 0.29 -0.18 0.74 0.02 0.00 0.00 177.57 178.08 3bsm h THR 84 N -0.53 0.55 0.00 2.57 2.02 -1.85 -2.48 112.91 113.20 3bsm h THR 84 Ca -0.00 0.00 -0.06 0.00 0.77 0.00 0.00 66.41 67.12 3bsm h THR 84 Cb 0.50 0.55 -0.01 0.00 -1.74 0.00 0.00 68.15 67.46 3bsm h THR 84 CO 0.00 0.00 -0.27 0.24 0.37 0.00 0.00 175.52 175.87 3bsm h MET 85 N -0.28 0.00 -0.20 6.66 2.86 -0.82 -2.68 114.93 120.47 3bsm h MET 85 Ca 0.07 0.00 -0.14 0.00 -2.06 0.00 0.00 59.70 57.57 3bsm h MET 85 Cb 0.37 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.03 3bsm h MET 85 CO -0.19 0.27 -0.41 1.15 1.06 0.00 0.00 176.91 178.79 3bsm h THR 86 N 0.00 1.33 -0.16 2.22 2.02 -1.29 0.37 112.91 117.40 3bsm h THR 86 Ca -0.00 -1.64 0.00 0.00 0.77 0.00 0.00 66.41 65.54 3bsm h THR 86 Cb 0.87 1.87 -0.01 0.00 -1.74 0.00 0.00 68.15 69.14 3bsm h THR 86 CO 0.03 0.51 0.09 0.00 0.37 0.00 0.00 175.52 176.53 3bsm h ALA 87 N 0.60 0.20 -0.69 6.16 0.00 -1.38 -0.44 119.26 123.70 3bsm h ALA 87 Ca 0.00 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 3bsm h ALA 87 Cb 1.01 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.72 3bsm h ALA 87 CO 0.09 -0.33 0.30 0.82 0.00 0.00 0.00 179.25 180.13 3bsm h ILE 88 N 0.20 1.23 -0.58 0.00 2.04 -1.44 -2.33 117.51 116.63 3bsm h ILE 88 Ca 0.06 -0.69 -0.07 0.00 1.00 0.00 0.00 64.86 65.17 3bsm h ILE 88 Cb -0.01 0.37 -0.02 0.00 -0.74 0.00 0.00 36.82 36.42 3bsm h ILE 88 CO -0.03 0.28 0.09 0.00 0.00 0.00 0.00 178.15 178.49 3bsm h ALA 89 N 1.34 1.05 -0.20 1.87 0.00 -0.48 -0.18 119.26 122.65 3bsm h ALA 89 Ca 0.24 -0.25 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 3bsm h ALA 89 Cb 0.15 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 3bsm h ALA 89 CO -0.03 0.61 0.12 0.00 0.00 0.00 0.00 179.25 179.95 3bsm h ALA 90 N 1.20 0.26 -0.14 0.00 0.00 -0.57 0.16 119.26 120.16 3bsm h ALA 90 Ca 0.18 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 3bsm h ALA 90 Cb 0.40 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 3bsm h ALA 90 CO 0.01 -0.22 0.08 0.28 0.00 0.00 0.00 179.25 179.41 3bsm h VAL 91 N 0.23 1.07 -0.83 0.00 2.07 -1.23 -1.75 116.25 115.82 3bsm h VAL 91 Ca 0.07 -0.18 0.04 0.00 0.82 0.00 0.00 66.70 67.45 3bsm h VAL 91 Cb 0.05 0.94 -0.05 0.00 -1.52 0.00 0.00 31.29 30.71 3bsm h VAL 91 CO -0.01 0.07 0.52 -0.78 0.02 0.00 0.00 177.57 177.38 3bsm h ASP 92 N 0.15 0.85 -0.65 0.57 3.58 -0.75 -0.42 116.42 119.75 3bsm h ASP 92 Ca 0.05 0.00 -0.09 0.00 0.42 0.00 0.00 57.03 57.42 3bsm h ASP 92 Cb 0.03 -0.18 -0.02 0.00 1.72 0.00 0.00 39.33 40.88 3bsm h ASP 92 CO -0.01 0.57 0.07 0.24 -2.88 0.00 0.00 179.24 177.23 3bsm h MET 93 N 0.99 1.10 -0.26 0.28 2.86 -0.45 -1.72 114.93 117.74 3bsm h MET 93 Ca 0.34 -0.31 -0.02 0.00 -2.06 0.00 0.00 59.70 57.64 3bsm h MET 93 Cb 0.06 -0.12 -0.01 0.00 0.06 0.00 0.00 31.60 31.59 3bsm h MET 93 CO -0.13 1.03 0.08 0.00 1.06 0.00 0.00 176.91 178.95 3bsm h ALA 94 N 1.04 0.34 -0.69 6.32 0.00 -0.69 -1.28 119.26 124.30 3bsm h ALA 94 Ca 0.19 -0.14 -0.05 0.00 0.00 0.00 0.00 54.91 54.91 3bsm h ALA 94 Cb 0.49 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.15 3bsm h ALA 94 CO 0.02 -0.03 0.22 -0.07 0.00 0.00 0.00 179.25 179.40 3bsm h LEU 95 N 0.26 0.97 -1.06 0.00 3.38 -0.99 -0.52 115.31 117.36 3bsm h LEU 95 Ca 0.08 -0.17 -0.09 0.00 0.09 0.00 0.00 57.88 57.80 3bsm h LEU 95 Cb 0.24 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 3bsm h LEU 95 CO -0.00 0.90 -0.32 -0.50 0.09 0.00 0.00 178.44 178.61 3bsm h TRP 96 N 1.01 0.30 0.36 1.13 4.06 -1.19 -0.38 115.95 121.24 3bsm h TRP 96 Ca 0.23 -0.07 -0.02 0.00 2.06 0.00 0.00 58.89 61.09 3bsm h TRP 96 Cb 0.27 -0.07 0.00 0.00 -1.00 0.00 0.00 29.16 28.36 3bsm h TRP 96 CO 0.02 0.56 -0.17 0.22 -3.56 0.00 0.00 178.44 175.51 3bsm h ASP 97 N 0.23 -0.41 -0.59 -3.49 3.58 -0.49 -1.14 116.42 114.11 3bsm h ASP 97 Ca 0.03 -0.06 0.08 0.00 0.42 0.00 0.00 57.03 57.49 3bsm h ASP 97 Cb 0.68 0.11 -0.06 0.00 1.72 0.00 0.00 39.33 41.78 3bsm h ASP 97 CO 0.05 -0.19 0.26 0.40 -2.88 0.00 0.00 179.24 176.89 3bsm h ILE 98 N -0.61 0.85 -0.34 2.25 2.04 -0.88 -1.71 117.51 119.11 3bsm h ILE 98 Ca -0.05 -0.16 -0.01 0.00 1.00 0.00 0.00 64.86 65.64 3bsm h ILE 98 Cb 0.45 0.33 -0.02 0.00 -0.74 0.00 0.00 36.82 36.84 3bsm h ILE 98 CO 0.08 0.09 0.19 0.50 0.00 0.00 0.00 178.15 179.01 3bsm h LYS 99 N 0.48 0.48 -0.79 2.37 3.64 -0.92 0.10 116.57 121.93 3bsm h LYS 99 Ca 0.29 -0.05 -0.03 0.00 -1.27 0.00 0.00 60.65 59.58 3bsm h LYS 99 Cb 0.29 -0.09 -0.04 0.00 -0.41 0.00 0.00 32.23 31.98 3bsm h LYS 99 CO -0.25 0.39 0.39 0.00 -2.27 0.00 0.00 179.45 177.71 3bsm h ALA 100 N 1.06 1.02 0.21 5.00 0.00 -0.88 0.52 119.26 126.20 3bsm h ALA 100 Ca 0.12 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 3bsm h ALA 100 Cb 0.05 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.53 3bsm h ALA 100 CO -0.02 0.58 -0.10 0.87 0.00 0.00 0.00 179.25 180.58 3bsm h LYS 101 N 1.12 -0.27 -0.56 0.00 1.57 -1.10 0.51 116.57 117.84 3bsm h LYS 101 Ca 0.27 0.02 0.15 0.00 -1.87 0.00 0.00 60.65 59.22 3bsm h LYS 101 Cb 0.11 0.06 -0.03 0.00 0.08 0.00 0.00 32.23 32.46 3bsm h LYS 101 CO -0.04 -0.13 0.40 0.00 -0.57 0.00 0.00 179.45 179.11 3bsm h ALA 102 N 0.42 2.45 -0.00 3.86 0.00 -0.55 0.77 119.26 126.20 3bsm h ALA 102 Ca -0.03 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3bsm h ALA 102 Cb 0.27 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.09 3bsm h ALA 102 CO 0.05 -0.60 -0.28 0.00 0.00 0.00 0.00 179.25 178.41 3bsm n ALA 103 N -2.63 3.06 -2.57 0.00 0.00 0.14 -4.93 120.51 113.58 3bsm n ALA 103 Ca 0.10 -0.28 -0.16 0.00 0.00 0.00 0.00 53.44 53.11 3bsm n ALA 103 Cb 0.59 -1.25 0.01 0.00 0.00 0.00 0.00 19.45 18.81 3bsm n ALA 103 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3bsm n GLY 104 N 1.44 -0.21 3.08 0.00 0.00 0.27 -5.02 105.19 104.75 3bsm n GLY 104 Ca 0.08 -0.19 -0.08 0.00 0.00 0.00 0.00 46.02 45.83 3bsm n GLY 104 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 3bsm s MET 105 N -5.09 0.54 0.51 1.61 0.00 -0.49 -4.80 119.30 111.58 3bsm s MET 105 Ca 0.12 -0.92 -0.21 0.00 0.00 0.00 0.00 55.69 54.67 3bsm s MET 105 Cb -0.05 0.20 -0.06 0.00 0.00 0.00 0.00 34.83 34.91 3bsm s MET 105 CO 0.15 -0.11 1.16 -1.25 0.00 0.00 0.00 175.02 174.97 3bsm s PRO 106 N -2.94 3.50 0.31 3.16 0.04 -1.25 -1.90 135.00 135.91 3bsm s PRO 106 Ca -0.02 1.73 0.07 0.00 0.04 0.00 0.00 61.00 62.81 3bsm s PRO 106 Cb 0.01 -2.19 0.86 0.00 0.04 0.00 0.00 34.50 33.22 3bsm s PRO 106 CO -0.06 -0.76 1.64 1.25 0.04 0.00 0.00 177.00 179.11 3bsm h LEU 107 N 1.56 0.14 -2.22 -3.56 5.85 -1.25 0.13 115.31 115.96 3bsm h LEU 107 Ca -0.50 0.20 0.02 0.00 0.84 0.00 0.00 57.88 58.45 3bsm h LEU 107 Cb 1.26 0.24 -0.00 0.00 0.37 0.00 0.00 40.66 42.53 3bsm h LEU 107 CO 0.58 -0.17 0.07 0.10 -0.34 0.00 0.00 178.44 178.67 3bsm h TYR 108 N 0.22 0.00 -0.16 1.25 -0.00 -1.87 -0.32 116.97 116.09 3bsm h TYR 108 Ca 0.62 0.00 -0.18 0.00 0.00 0.00 0.00 58.73 59.17 3bsm h TYR 108 Cb 1.34 0.00 -0.00 0.00 0.00 0.00 0.00 36.73 38.07 3bsm h TYR 108 CO -0.19 0.00 -0.65 1.96 -0.00 0.00 0.00 178.16 179.28 3bsm h GLN 109 N 0.00 0.58 -0.07 0.10 1.08 -1.27 -0.97 115.11 114.57 3bsm h GLN 109 Ca 0.04 -0.42 -0.09 0.00 -1.45 0.00 0.00 58.65 56.73 3bsm h GLN 109 Cb 0.17 0.07 -0.01 0.00 -0.05 0.00 0.00 27.48 27.65 3bsm h GLN 109 CO -0.00 1.04 -0.35 1.25 -0.95 0.00 0.00 178.83 179.81 3bsm h LEU 110 N 0.42 0.13 -0.16 1.46 5.85 -1.06 -2.93 115.31 119.03 3bsm h LEU 110 Ca -0.01 -0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.66 3bsm h LEU 110 Cb 1.22 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 42.21 3bsm h LEU 110 CO 0.12 0.48 0.00 -0.07 -0.34 0.00 0.00 178.44 178.63 3bsm h LEU 111 N 0.11 0.00 0.00 2.25 3.38 -1.29 -3.45 115.31 116.31 3bsm h LEU 111 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 3bsm h LEU 111 Cb 0.68 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.43 3bsm h LEU 111 CO 0.05 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.19 3bsm n GLY 112 N 1.04 -0.95 0.00 0.83 0.00 -1.11 -5.03 105.19 99.96 3bsm n GLY 112 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 3bsm n GLY 112 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3bsm n GLY 113 N 0.00 0.00 3.72 -0.02 0.00 -0.38 -4.96 105.19 103.55 3bsm n GLY 113 Ca 0.00 -1.90 -0.42 0.00 0.00 0.00 0.00 46.02 43.70 3bsm n GLY 113 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3bsm s LYS 114 N -1.33 4.47 -0.03 1.61 2.20 -1.26 -4.19 119.74 121.21 3bsm s LYS 114 Ca 0.00 1.76 0.12 0.00 -0.36 0.00 0.00 55.97 57.49 3bsm s LYS 114 Cb 0.00 -3.33 -0.19 0.00 -1.51 0.00 0.00 37.83 32.81 3bsm s LYS 114 CO 0.00 -0.18 0.24 0.43 -0.36 0.00 0.00 175.35 175.49 3bsm n SER 115 N 3.51 2.18 -3.74 1.43 7.64 0.52 -4.96 113.62 120.20 3bsm n SER 115 Ca 0.07 0.00 -0.12 0.00 1.01 0.00 0.00 58.87 59.83 3bsm n SER 115 Cb 0.46 1.47 -0.07 0.00 -1.01 0.00 0.00 64.21 65.06 3bsm n SER 115 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3bsm s ARG 116 N -2.79 0.81 0.08 1.43 1.70 -1.10 -5.05 118.95 114.03 3bsm s ARG 116 Ca -0.05 -0.45 -0.14 0.00 -0.47 0.00 0.00 55.73 54.62 3bsm s ARG 116 Cb 0.07 0.35 -0.21 0.00 -0.57 0.00 0.00 34.95 34.60 3bsm s ARG 116 CO 0.51 -0.26 1.22 1.49 -1.08 0.00 0.00 175.30 177.18 3bsm h GLU 117 N 3.25 0.70 -4.49 3.89 4.57 -1.95 -3.47 114.58 117.08 3bsm h GLU 117 Ca -0.31 -0.69 -0.19 0.00 -1.18 0.00 0.00 59.36 56.99 3bsm h GLU 117 Cb 1.20 0.18 -0.16 0.00 -0.16 0.00 0.00 28.75 29.81 3bsm h GLU 117 CO 0.45 1.28 -0.69 -0.98 -1.18 0.00 0.00 179.01 177.88 3bsm s ARG 118 N -3.46 0.72 -0.26 1.92 1.70 -1.26 -4.70 118.95 113.60 3bsm s ARG 118 Ca -0.10 -1.22 -0.05 0.00 -0.47 0.00 0.00 55.73 53.88 3bsm s ARG 118 Cb 0.07 -0.07 0.00 0.00 -0.57 0.00 0.00 34.95 34.38 3bsm s ARG 118 CO 0.90 -0.04 0.02 0.14 -1.08 0.00 0.00 175.30 175.24 3bsm s VAL 119 N -3.44 3.65 0.38 4.99 -7.23 -0.65 -4.92 120.40 113.18 3bsm s VAL 119 Ca 0.07 -0.64 -0.28 0.00 -1.81 0.00 0.00 61.98 59.33 3bsm s VAL 119 Cb 0.04 -2.80 -0.11 0.00 0.56 0.00 0.00 36.38 34.08 3bsm s VAL 119 CO -0.06 0.22 1.46 -0.32 -0.31 0.00 0.00 175.10 176.10 3bsm s MET 120 N 1.48 4.11 0.38 4.82 1.75 -1.26 -1.57 119.30 129.00 3bsm s MET 120 Ca 0.03 2.52 0.05 0.00 -1.25 0.00 0.00 55.69 57.05 3bsm s MET 120 Cb -0.16 -2.96 -0.07 0.00 2.84 0.00 0.00 34.83 34.49 3bsm s MET 120 CO -0.00 -0.51 0.03 0.99 -0.65 0.00 0.00 175.02 174.88 3bsm s THR 121 N -1.13 1.59 0.01 10.11 2.01 -1.05 -1.56 115.64 125.62 3bsm s THR 121 Ca 0.53 -2.00 0.01 0.00 0.31 0.00 0.00 61.69 60.53 3bsm s THR 121 Cb -0.45 -2.85 -0.01 0.00 0.01 0.00 0.00 72.50 69.19 3bsm s THR 121 CO 0.61 0.00 -0.03 -0.72 -0.69 0.00 0.00 174.62 173.80 3bsm s TYR 122 N -2.96 0.23 0.18 4.92 -0.85 -0.98 -4.08 117.35 113.80 3bsm s TYR 122 Ca 0.34 -0.24 0.05 0.00 -0.52 0.00 0.00 57.07 56.70 3bsm s TYR 122 Cb 0.09 -0.15 -0.04 0.00 0.38 0.00 0.00 41.96 42.24 3bsm s TYR 122 CO 0.16 -0.07 0.14 0.00 -1.52 0.00 0.00 175.55 174.26 3bsm s ALA 123 N -0.64 3.55 -0.17 9.51 0.00 -0.93 -2.44 121.76 130.65 3bsm s ALA 123 Ca -0.06 -1.25 -0.25 0.00 0.00 0.00 0.00 51.96 50.40 3bsm s ALA 123 Cb -0.05 -1.34 -0.02 0.00 0.00 0.00 0.00 23.12 21.72 3bsm s ALA 123 CO -0.00 0.47 0.82 -1.01 0.00 0.00 0.00 175.76 176.03 3bsm s HIS 124 N -1.80 3.42 -0.38 0.00 3.76 -1.26 -0.13 115.29 118.89 3bsm s HIS 124 Ca 0.31 1.23 0.02 0.00 -0.15 0.00 0.00 55.06 56.48 3bsm s HIS 124 Cb -0.10 -3.00 0.11 0.00 1.11 0.00 0.00 32.58 30.71 3bsm s HIS 124 CO 0.23 -0.23 0.14 0.00 -0.85 0.00 0.00 174.74 174.03 3bsm s THR 126 N 0.81 2.29 0.09 0.00 -4.23 -1.26 -1.80 115.64 111.55 3bsm s THR 126 Ca 0.13 -2.31 -0.26 0.00 -1.18 0.00 0.00 61.69 58.07 3bsm s THR 126 Cb -0.21 -2.41 0.08 0.00 1.34 0.00 0.00 72.50 71.30 3bsm s THR 126 CO -0.10 -0.34 0.93 -0.83 -0.54 0.00 0.00 174.62 173.74 3bsm s GLY 127 N -3.53 -0.33 0.19 3.99 0.00 -0.95 -4.43 107.32 102.28 3bsm s GLY 127 Ca 0.30 0.46 0.07 0.00 0.00 0.00 0.00 44.72 45.56 3bsm s GLY 127 CO 0.15 0.13 1.44 -1.61 0.00 0.00 0.00 173.10 173.20 3bsm h GLN 128 N 2.00 0.05 -5.68 2.90 4.15 -1.94 -2.39 115.11 114.20 3bsm h GLN 128 Ca -0.24 -0.05 -0.48 0.00 0.77 0.00 0.00 58.65 58.65 3bsm h GLN 128 Cb 1.24 0.01 -0.14 0.00 0.21 0.00 0.00 27.48 28.80 3bsm h GLN 128 CO 0.28 0.83 -0.73 0.95 -1.93 0.00 0.00 178.83 178.23 3bsm s THR 129 N -3.19 1.87 0.37 2.39 -4.23 -1.26 -1.61 115.64 109.97 3bsm s THR 129 Ca -0.01 -2.24 0.11 0.00 -1.18 0.00 0.00 61.69 58.37 3bsm s THR 129 Cb 0.11 -2.13 0.33 0.00 1.34 0.00 0.00 72.50 72.16 3bsm s THR 129 CO 0.80 -0.54 1.86 0.40 -0.54 0.00 0.00 174.62 176.61 3bsm h ILE 130 N 2.48 0.80 -0.42 2.99 2.04 -1.88 -0.66 117.51 122.86 3bsm h ILE 130 Ca -0.39 -0.22 -0.06 0.00 1.00 0.00 0.00 64.86 65.20 3bsm h ILE 130 Cb 1.23 0.11 -0.02 0.00 -0.74 0.00 0.00 36.82 37.41 3bsm h ILE 130 CO 0.62 0.11 0.03 -0.08 0.00 0.00 0.00 178.15 178.83 3bsm h GLU 131 N 0.63 0.73 -0.01 2.37 4.57 -1.97 -1.35 114.58 119.54 3bsm h GLU 131 Ca 0.45 -0.22 0.01 0.00 -1.18 0.00 0.00 59.36 58.42 3bsm h GLU 131 Cb 0.81 -0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 29.32 3bsm h GLU 131 CO -0.21 0.79 -0.03 -0.44 -1.18 0.00 0.00 179.01 177.94 3bsm h ASP 132 N 0.57 -0.09 -0.55 1.04 3.32 -1.54 -2.25 116.42 116.91 3bsm h ASP 132 Ca 0.12 0.02 0.11 0.00 0.02 0.00 0.00 57.03 57.30 3bsm h ASP 132 Cb 0.44 0.04 -0.09 0.00 0.22 0.00 0.00 39.33 39.95 3bsm h ASP 132 CO 0.02 -0.05 0.05 0.00 -1.72 0.00 0.00 179.24 177.54 3bsm h LEU 134 N 0.17 0.00 -0.12 0.00 3.38 -0.85 -0.66 115.31 117.24 3bsm h LEU 134 Ca 0.29 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.21 3bsm h LEU 134 Cb 0.43 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.18 3bsm h LEU 134 CO -0.42 0.00 -0.12 1.23 0.09 0.00 0.00 178.44 179.22 3bsm h GLY 135 N 0.00 0.33 1.00 0.83 0.00 0.11 -1.58 103.07 103.76 3bsm h GLY 135 Ca 0.01 -0.33 0.00 0.00 0.00 0.00 0.00 47.33 47.01 3bsm h GLY 135 CO -0.00 0.30 0.43 0.83 0.00 0.00 0.00 176.54 178.09 3bsm h GLU 136 N -0.09 0.91 -0.74 4.80 4.39 -0.64 -1.70 114.58 121.52 3bsm h GLU 136 Ca 0.02 -0.07 0.01 0.00 0.34 0.00 0.00 59.36 59.66 3bsm h GLU 136 Cb 0.64 -0.20 -0.04 0.00 -0.10 0.00 0.00 28.75 29.05 3bsm h GLU 136 CO 0.03 0.63 0.49 0.28 -1.16 0.00 0.00 179.01 179.28 3bsm h VAL 137 N 0.92 1.19 -0.07 3.13 2.07 -1.13 -1.05 116.25 121.31 3bsm h VAL 137 Ca 0.25 -0.34 0.03 0.00 0.82 0.00 0.00 66.70 67.45 3bsm h VAL 137 Cb -0.06 0.10 -0.03 0.00 -1.52 0.00 0.00 31.29 29.78 3bsm h VAL 137 CO -0.05 0.18 -0.09 0.00 0.02 0.00 0.00 177.57 177.63 3bsm h ALA 138 N 1.27 -0.04 -0.55 1.67 0.00 -0.43 -0.63 119.26 120.55 3bsm h ALA 138 Ca 0.27 0.03 -0.11 0.00 0.00 0.00 0.00 54.91 55.10 3bsm h ALA 138 Cb -0.12 0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 3bsm h ALA 138 CO -0.06 -0.56 -0.10 0.07 0.00 0.00 0.00 179.25 178.60 3bsm h ARG 139 N -0.13 1.04 -0.52 0.00 0.11 -1.11 -2.70 114.38 111.08 3bsm h ARG 139 Ca 0.06 -0.38 -0.07 0.00 0.10 0.00 0.00 59.98 59.69 3bsm h ARG 139 Cb 0.22 -0.07 -0.02 0.00 1.11 0.00 0.00 29.97 31.21 3bsm h ARG 139 CO -0.15 1.07 0.04 0.45 0.10 0.00 0.00 179.97 181.48 3bsm h HIS 140 N 0.92 0.89 0.00 4.08 3.86 -0.96 -0.55 115.15 123.39 3bsm h HIS 140 Ca 0.14 -0.12 -0.00 0.00 -1.16 0.00 0.00 60.37 59.23 3bsm h HIS 140 Cb 0.67 -0.25 -0.00 0.00 1.06 0.00 0.00 27.41 28.89 3bsm h HIS 140 CO 0.05 0.80 -0.01 -0.39 0.86 0.00 0.00 177.93 179.23 3bsm h VAL 141 N 0.79 0.03 -0.19 2.45 -1.51 -1.02 -1.62 116.25 115.17 3bsm h VAL 141 Ca 0.16 -0.51 -0.19 0.00 -1.23 0.00 0.00 66.70 64.93 3bsm h VAL 141 Cb 0.43 1.49 0.00 0.00 -2.13 0.00 0.00 31.29 31.08 3bsm h VAL 141 CO 0.02 0.01 -0.64 -0.33 -1.23 0.00 0.00 177.57 175.39 3bsm h GLU 142 N 0.00 0.70 0.00 5.19 4.39 -0.80 -2.48 114.58 121.58 3bsm h GLU 142 Ca -0.00 -0.50 0.00 0.00 0.34 0.00 0.00 59.36 59.20 3bsm h GLU 142 Cb 0.49 0.08 0.00 0.00 -0.10 0.00 0.00 28.75 29.22 3bsm h GLU 142 CO 0.00 1.12 0.00 1.28 -1.16 0.00 0.00 179.01 180.25 3bsm n LEU 143 N -3.95 0.00 0.00 1.33 4.77 -0.63 -4.86 117.00 113.66 3bsm n LEU 143 Ca -0.05 0.36 0.00 0.00 -0.03 0.00 0.00 56.01 56.29 3bsm n LEU 143 Cb 0.67 -0.36 0.00 0.00 -2.33 0.00 0.00 43.42 41.40 3bsm n LEU 143 CO 0.50 -0.19 0.00 0.61 -1.33 0.00 0.00 177.39 176.98 3bsm n GLY 144 N -0.06 0.45 3.75 -0.72 0.00 -0.93 -3.87 105.19 103.81 3bsm n GLY 144 Ca 0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.66 3bsm n GLY 144 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3bsm s TYR 145 N -2.00 2.77 -2.20 1.61 1.51 -1.07 -3.72 117.35 114.25 3bsm s TYR 145 Ca 0.00 0.69 0.24 0.00 -1.01 0.00 0.00 57.07 56.99 3bsm s TYR 145 Cb 0.00 -4.09 0.23 0.00 -0.11 0.00 0.00 41.96 37.99 3bsm s TYR 145 CO 0.00 -3.76 1.25 0.54 -1.11 0.00 0.00 175.55 172.47 3bsm n ARG 146 N 2.50 1.38 -3.77 -0.62 5.12 -1.26 -4.50 116.66 115.51 3bsm n ARG 146 Ca 0.10 -1.08 -0.13 0.00 -1.93 0.00 0.00 57.85 54.80 3bsm n ARG 146 Cb 0.37 -1.48 -0.09 0.00 -1.16 0.00 0.00 32.46 30.10 3bsm n ARG 146 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3bsm s ALA 147 N -2.36 -0.77 -0.01 7.54 0.00 -1.26 -2.19 121.76 122.71 3bsm s ALA 147 Ca 0.23 0.46 -0.05 0.00 0.00 0.00 0.00 51.96 52.59 3bsm s ALA 147 Cb 0.19 -0.08 0.00 0.00 0.00 0.00 0.00 23.12 23.23 3bsm s ALA 147 CO 0.50 -0.23 0.10 0.14 0.00 0.00 0.00 175.76 176.27 3bsm s VAL 148 N -0.94 0.06 -0.25 0.00 -7.23 0.14 -2.19 120.40 109.98 3bsm s VAL 148 Ca -0.10 -0.47 -0.12 0.00 -1.81 0.00 0.00 61.98 59.48 3bsm s VAL 148 Cb -0.05 -0.31 -0.05 0.00 0.56 0.00 0.00 36.38 36.54 3bsm s VAL 148 CO 0.03 -0.26 0.22 -0.60 -0.31 0.00 0.00 175.10 174.18 3bsm s ARG 149 N -0.85 4.03 -0.12 4.82 3.52 0.81 -0.31 118.95 130.84 3bsm s ARG 149 Ca -0.09 -0.20 -0.02 0.00 -0.13 0.00 0.00 55.73 55.28 3bsm s ARG 149 Cb -0.05 -3.59 -0.03 0.00 -1.56 0.00 0.00 34.95 29.71 3bsm s ARG 149 CO 0.01 -0.07 -0.04 0.14 -0.81 0.00 0.00 175.30 174.53 3bsm s VAL 150 N 1.45 3.94 0.00 7.11 -7.23 -0.19 -0.42 120.40 125.06 3bsm s VAL 150 Ca 0.09 -0.36 -0.03 0.00 -1.81 0.00 0.00 61.98 59.88 3bsm s VAL 150 Cb -0.15 -2.69 -0.01 0.00 0.56 0.00 0.00 36.38 34.10 3bsm s VAL 150 CO 0.08 0.54 0.04 -1.10 -0.31 0.00 0.00 175.10 174.34 3bsm s GLN 151 N -0.11 0.29 0.16 4.82 -1.52 -0.74 -4.62 119.66 117.93 3bsm s GLN 151 Ca 0.03 -0.36 -0.16 0.00 -1.95 0.00 0.00 55.36 52.92 3bsm s GLN 151 Cb -0.13 0.11 0.03 0.00 -0.22 0.00 0.00 33.01 32.80 3bsm s GLN 151 CO 0.02 -0.06 0.44 -1.54 -0.25 0.00 0.00 175.29 173.90 3bsm s SER 152 N -1.02 -0.21 0.64 5.90 1.04 -1.26 -2.23 113.70 116.56 3bsm s SER 152 Ca -0.11 -0.46 -0.14 0.00 0.48 0.00 0.00 55.95 55.72 3bsm s SER 152 Cb -0.07 0.51 -0.01 0.00 0.10 0.00 0.00 66.02 66.55 3bsm s SER 152 CO -0.00 -0.94 1.07 -0.83 0.98 0.00 0.00 173.24 173.52 3bsm s GLY 153 N -2.85 2.04 -0.35 7.32 0.00 -0.64 -4.96 107.32 107.88 3bsm s GLY 153 Ca 0.07 0.39 -0.08 0.00 0.00 0.00 0.00 44.72 45.09 3bsm s GLY 153 CO -0.07 0.71 0.15 0.14 0.00 0.00 0.00 173.10 174.04 3bsm s VAL 154 N -2.53 4.15 0.04 1.40 1.01 -1.26 -4.73 120.40 118.47 3bsm s VAL 154 Ca 0.64 -1.01 -0.38 0.00 0.00 0.00 0.00 61.98 61.24 3bsm s VAL 154 Cb -0.17 -3.33 -0.17 0.00 0.00 0.00 0.00 36.38 32.71 3bsm s VAL 154 CO 0.42 -0.20 1.34 -2.65 0.00 0.00 0.00 175.10 174.00 3bsm n PRO 155 N 4.90 0.98 0.00 2.72 -0.02 -1.26 -5.02 135.00 137.29 3bsm n PRO 155 Ca -0.12 0.35 0.00 0.00 -2.02 0.00 0.00 63.50 61.71 3bsm n PRO 155 Cb 0.45 -1.98 0.00 0.00 -0.02 0.00 0.00 33.50 31.95 3bsm n PRO 155 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3bsm n GLY 156 N 2.53 1.02 0.00 -1.23 0.00 -1.26 -4.99 105.19 101.26 3bsm n GLY 156 Ca 0.19 -0.78 0.00 0.00 0.00 0.00 0.00 46.02 45.43 3bsm n GLY 156 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3bsm n SER 185 N 0.91 0.00 -0.13 1.61 2.88 -1.26 -5.10 113.62 112.53 3bsm n SER 185 Ca 0.00 0.00 -0.09 0.00 -1.33 0.00 0.00 58.87 57.45 3bsm n SER 185 Cb 0.00 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 63.45 3bsm n SER 185 CO 0.00 0.00 0.00 0.74 -1.23 0.00 0.00 175.04 174.55 3bsm h THR 186 N 0.00 1.17 -0.80 2.46 2.02 -1.99 -2.51 112.91 113.26 3bsm h THR 186 Ca 0.00 -0.49 0.03 0.00 0.77 0.00 0.00 66.41 66.71 3bsm h THR 186 Cb 0.00 0.79 -0.05 0.00 -1.74 0.00 0.00 68.15 67.16 3bsm h THR 186 CO 0.00 0.18 0.52 -0.08 0.37 0.00 0.00 175.52 176.51 3bsm h GLU 187 N 0.48 0.99 -0.61 6.66 4.57 -2.01 0.18 114.58 124.84 3bsm h GLU 187 Ca 0.13 -0.06 -0.10 0.00 -1.18 0.00 0.00 59.36 58.16 3bsm h GLU 187 Cb 0.13 -0.22 -0.02 0.00 -0.16 0.00 0.00 28.75 28.47 3bsm h GLU 187 CO -0.02 0.65 0.01 0.87 -1.18 0.00 0.00 179.01 179.34 3bsm h LYS 188 N 1.02 1.07 0.26 1.92 1.57 -1.93 -2.12 116.57 118.35 3bsm h LYS 188 Ca 0.31 -0.34 -0.01 0.00 -1.87 0.00 0.00 60.65 58.75 3bsm h LYS 188 Cb -0.02 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.19 3bsm h LYS 188 CO -0.10 1.04 -0.12 -0.92 -0.57 0.00 0.00 179.45 178.77 3bsm h TYR 189 N 0.97 -0.32 -0.87 -1.35 3.20 -0.94 0.70 116.97 118.36 3bsm h TYR 189 Ca 0.17 -0.01 0.12 0.00 3.14 0.00 0.00 58.73 62.15 3bsm h TYR 189 Cb 0.55 0.11 -0.06 0.00 1.54 0.00 0.00 36.73 38.86 3bsm h TYR 189 CO 0.04 -0.17 0.56 -0.07 -1.64 0.00 0.00 178.16 176.88 3bsm h LEU 190 N -0.39 0.70 -0.07 2.82 3.38 -0.87 0.24 115.31 121.12 3bsm h LEU 190 Ca -0.04 0.03 -0.20 0.00 0.09 0.00 0.00 57.88 57.76 3bsm h LEU 190 Cb 0.29 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 40.90 3bsm h LEU 190 CO 0.06 0.39 -0.96 0.78 0.09 0.00 0.00 178.44 178.79 3bsm h ASN 191 N 0.76 0.00 0.23 -0.43 2.35 -1.11 -3.36 115.58 114.03 3bsm h ASN 191 Ca 0.42 0.00 -0.31 0.00 -0.55 0.00 0.00 56.30 55.86 3bsm h ASN 191 Cb 0.56 0.00 0.03 0.00 0.05 0.00 0.00 38.32 38.96 3bsm h ASN 191 CO -0.18 0.96 -1.37 -0.74 -1.65 0.00 0.00 177.43 174.45 3bsm h HIS 192 N 0.00 0.89 -0.68 1.19 2.76 0.14 -3.38 115.15 116.08 3bsm h HIS 192 Ca -0.01 -0.65 0.14 0.00 -2.20 0.00 0.00 60.37 57.64 3bsm h HIS 192 Cb 1.71 -0.04 -0.13 0.00 1.55 0.00 0.00 27.41 30.50 3bsm h HIS 192 CO 0.00 1.53 -0.18 0.00 -1.30 0.00 0.00 177.93 177.98 3bsm h ALA 193 N 0.13 0.43 -0.76 5.26 0.00 -1.13 -0.89 119.26 122.30 3bsm h ALA 193 Ca -0.24 0.26 0.05 0.00 0.00 0.00 0.00 54.91 54.98 3bsm h ALA 193 Cb 2.07 0.53 -0.05 0.00 0.00 0.00 0.00 17.79 20.34 3bsm h ALA 193 CO 0.25 -0.43 0.50 -1.35 0.00 0.00 0.00 179.25 178.22 3bsm h PRO 194 N -0.01 0.82 -0.79 0.00 0.11 -1.75 -2.10 132.00 128.28 3bsm h PRO 194 Ca 0.32 -0.05 -0.04 0.00 0.11 0.00 0.00 66.00 66.34 3bsm h PRO 194 Cb 0.50 -0.19 -0.04 0.00 0.11 0.00 0.00 31.00 31.39 3bsm h PRO 194 CO -0.70 0.55 0.33 0.87 -0.21 0.00 0.00 178.00 178.84 3bsm h LYS 195 N 0.85 1.17 -0.03 1.05 1.57 -1.35 -0.59 116.57 119.24 3bsm h LYS 195 Ca 0.32 -0.20 -0.00 0.00 -1.87 0.00 0.00 60.65 58.90 3bsm h LYS 195 Cb 0.18 -0.20 -0.00 0.00 0.08 0.00 0.00 32.23 32.29 3bsm h LYS 195 CO -0.10 0.94 0.02 1.25 -0.57 0.00 0.00 179.45 180.98 3bsm h LEU 196 N 1.15 0.03 -0.80 2.94 5.85 -1.09 -0.61 115.31 122.78 3bsm h LEU 196 Ca 0.27 -0.04 -0.09 0.00 0.84 0.00 0.00 57.88 58.86 3bsm h LEU 196 Cb 0.19 -0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.19 3bsm h LEU 196 CO -0.03 0.06 -0.03 -0.26 -0.34 0.00 0.00 178.44 177.85 3bsm h PHE 197 N 0.00 0.95 -0.45 1.25 0.04 -1.30 -0.91 116.94 116.53 3bsm h PHE 197 Ca 0.01 -0.15 -0.00 0.00 2.80 0.00 0.00 57.97 60.63 3bsm h PHE 197 Cb 0.03 -0.25 -0.02 0.00 2.20 0.00 0.00 35.95 37.91 3bsm h PHE 197 CO -0.06 0.87 0.27 0.00 -0.60 0.00 0.00 178.31 178.79 3bsm h ALA 198 N 1.16 0.57 -0.40 2.45 0.00 -0.91 -1.23 119.26 120.89 3bsm h ALA 198 Ca 0.15 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 3bsm h ALA 198 Cb 0.52 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 3bsm h ALA 198 CO 0.03 0.05 0.24 0.00 0.00 0.00 0.00 179.25 179.57 3bsm h ALA 199 N 1.13 0.51 -0.72 0.00 0.00 -0.76 -0.39 119.26 119.04 3bsm h ALA 199 Ca 0.16 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 3bsm h ALA 199 Cb -0.02 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.58 3bsm h ALA 199 CO -0.03 -0.01 0.33 -0.39 0.00 0.00 0.00 179.25 179.15 3bsm h VAL 200 N 0.53 1.23 -0.38 0.00 -1.51 -0.84 -1.81 116.25 113.47 3bsm h VAL 200 Ca 0.14 -0.67 -0.16 0.00 -1.23 0.00 0.00 66.70 64.79 3bsm h VAL 200 Cb -0.01 0.33 -0.01 0.00 -2.13 0.00 0.00 31.29 29.47 3bsm h VAL 200 CO -0.03 0.28 -0.39 0.03 -1.23 0.00 0.00 177.57 176.23 3bsm h ARG 201 N 1.02 0.93 -0.70 5.19 2.47 -0.85 0.31 114.38 122.76 3bsm h ARG 201 Ca 0.25 -0.49 -0.05 0.00 -1.26 0.00 0.00 59.98 58.42 3bsm h ARG 201 Cb 0.12 0.02 -0.03 0.00 -1.65 0.00 0.00 29.97 28.43 3bsm h ARG 201 CO -0.03 1.15 0.24 1.49 0.56 0.00 0.00 179.97 183.38 3bsm h GLU 202 N 0.76 1.07 0.02 0.04 4.81 -0.79 -0.79 114.58 119.69 3bsm h GLU 202 Ca 0.06 -0.22 -0.24 0.00 -0.13 0.00 0.00 59.36 58.84 3bsm h GLU 202 Cb 0.99 -0.16 -0.03 0.00 0.63 0.00 0.00 28.75 30.18 3bsm h GLU 202 CO 0.10 0.90 -1.18 -0.09 -0.73 0.00 0.00 179.01 178.01 3bsm h ARG 203 N 1.01 0.05 -0.00 1.92 2.43 -1.27 -3.40 114.38 115.12 3bsm h ARG 203 Ca 0.23 -0.08 0.00 0.00 -0.81 0.00 0.00 59.98 59.32 3bsm h ARG 203 Cb 0.26 0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.84 3bsm h ARG 203 CO -0.01 0.94 -0.23 1.19 -1.51 0.00 0.00 179.97 180.36 3bsm n PHE 204 N -3.32 0.00 0.00 2.20 3.72 0.09 -5.10 117.46 115.04 3bsm n PHE 204 Ca -0.05 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.35 3bsm n PHE 204 Cb 0.98 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.52 3bsm n PHE 204 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3bsm n GLY 205 N 0.97 -0.64 0.00 1.37 0.00 -0.30 -4.67 105.19 101.91 3bsm n GLY 205 Ca 0.02 -1.75 0.12 0.00 0.00 0.00 0.00 46.02 44.41 3bsm n GLY 205 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3bsm n ASP 206 N -0.66 0.48 -0.02 1.61 8.00 -1.26 -4.27 116.55 120.42 3bsm n ASP 206 Ca 0.00 -0.20 -0.13 0.00 0.71 0.00 0.00 54.79 55.18 3bsm n ASP 206 Cb 0.00 0.21 -0.00 0.00 -0.02 0.00 0.00 41.12 41.31 3bsm n ASP 206 CO 0.00 0.00 0.00 0.44 -0.39 0.00 0.00 177.20 177.25 3bsm h ASP 207 N 0.00 0.78 -3.30 -2.24 3.32 -1.99 -3.45 116.42 109.54 3bsm h ASP 207 Ca 0.00 -0.44 -0.53 0.00 0.02 0.00 0.00 57.03 56.08 3bsm h ASP 207 Cb 0.51 -0.23 0.08 0.00 0.22 0.00 0.00 39.33 39.92 3bsm h ASP 207 CO 0.00 1.20 0.90 -0.22 -1.72 0.00 0.00 179.24 179.41 3bsm s LEU 208 N -8.43 4.34 -0.15 1.55 2.96 -1.26 -4.97 118.68 112.71 3bsm s LEU 208 Ca -0.09 2.97 -0.24 0.00 -0.22 0.00 0.00 54.13 56.56 3bsm s LEU 208 Cb 0.10 -3.63 -0.02 0.00 0.50 0.00 0.00 46.19 43.14 3bsm s LEU 208 CO 0.87 -0.93 0.76 -1.00 -1.32 0.00 0.00 176.35 174.72 3bsm s HIS 209 N 0.04 3.44 -0.11 5.38 3.76 -0.93 -4.99 115.29 121.88 3bsm s HIS 209 Ca 0.64 1.18 0.03 0.00 -0.15 0.00 0.00 55.06 56.76 3bsm s HIS 209 Cb -0.48 -2.92 0.01 0.00 1.11 0.00 0.00 32.58 30.29 3bsm s HIS 209 CO 0.48 -0.16 -0.21 0.54 -0.85 0.00 0.00 174.74 174.53 3bsm s VAL 210 N 1.82 1.93 0.26 -0.90 0.11 -1.26 -0.68 120.40 121.68 3bsm s VAL 210 Ca 0.36 -0.92 0.09 0.00 -2.93 0.00 0.00 61.98 58.57 3bsm s VAL 210 Cb -0.17 -1.69 -0.04 0.00 -1.53 0.00 0.00 36.38 32.95 3bsm s VAL 210 CO 0.13 0.53 0.07 -0.76 -3.33 0.00 0.00 175.10 171.74 3bsm s LEU 211 N 0.62 3.41 -0.14 2.54 1.02 0.57 -0.54 118.68 126.16 3bsm s LEU 211 Ca -0.13 -0.51 -0.11 0.00 0.02 0.00 0.00 54.13 53.40 3bsm s LEU 211 Cb -0.17 -1.94 0.04 0.00 0.02 0.00 0.00 46.19 44.15 3bsm s LEU 211 CO 0.03 -0.01 0.36 -2.28 0.02 0.00 0.00 176.35 174.47 3bsm s HIS 212 N -2.26 -0.44 -0.22 0.29 2.46 -0.96 -1.02 115.29 113.16 3bsm s HIS 212 Ca 0.32 1.02 -0.06 0.00 0.47 0.00 0.00 55.06 56.81 3bsm s HIS 212 Cb -0.07 0.16 -0.03 0.00 -0.13 0.00 0.00 32.58 32.51 3bsm s HIS 212 CO 0.22 -0.23 0.04 0.34 -2.47 0.00 0.00 174.74 172.64 3bsm s ASP 213 N 0.55 5.15 0.00 9.88 -1.08 -1.26 -0.92 116.67 128.98 3bsm s ASP 213 Ca -0.03 -0.13 0.25 0.00 -0.52 0.00 0.00 52.55 52.12 3bsm s ASP 213 Cb -0.04 -1.90 0.65 0.00 -1.46 0.00 0.00 42.92 40.17 3bsm s ASP 213 CO -0.03 0.05 1.52 1.33 0.52 0.00 0.00 175.17 178.56 3bsm n VAL 214 N 4.34 0.06 -4.08 1.11 0.24 -0.73 -4.96 118.33 114.31 3bsm n VAL 214 Ca -0.17 -0.39 -0.32 0.00 -2.04 0.00 0.00 64.34 61.42 3bsm n VAL 214 Cb 0.52 0.90 -0.01 0.00 -1.47 0.00 0.00 33.84 33.77 3bsm n VAL 214 CO 0.00 0.00 0.00 1.41 -2.14 0.00 0.00 176.83 176.10 3bsm n HIS 215 N 0.73 -1.86 -4.27 6.34 8.25 -1.22 -2.69 115.22 120.50 3bsm n HIS 215 Ca 0.17 0.81 -0.36 0.00 -0.26 0.00 0.00 57.72 58.08 3bsm n HIS 215 Cb 0.46 -3.40 -0.08 0.00 1.12 0.00 0.00 29.99 28.09 3bsm n HIS 215 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 3bsm n HIS 216 N -4.46 -1.10 1.13 4.41 1.44 0.28 -4.82 115.22 112.11 3bsm n HIS 216 Ca -0.03 0.61 0.12 0.00 -2.01 0.00 0.00 57.72 56.42 3bsm n HIS 216 Cb 0.55 -2.00 0.30 0.00 0.12 0.00 0.00 29.99 28.96 3bsm n HIS 216 CO 0.00 0.00 0.00 0.54 -2.81 0.00 0.00 176.34 174.07 3bsm n ARG 217 N -3.96 0.50 -4.04 -1.40 5.12 -1.10 -4.41 116.66 107.38 3bsm n ARG 217 Ca -0.03 -0.30 -0.22 0.00 -1.93 0.00 0.00 57.85 55.37 3bsm n ARG 217 Cb 0.49 -1.49 -0.04 0.00 -1.16 0.00 0.00 32.46 30.25 3bsm n ARG 217 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 3bsm s LEU 218 N -2.71 3.70 0.40 0.55 1.02 -1.21 -5.01 118.68 115.42 3bsm s LEU 218 Ca 0.18 -0.36 0.00 0.00 0.02 0.00 0.00 54.13 53.97 3bsm s LEU 218 Cb 0.18 -2.25 -0.02 0.00 0.02 0.00 0.00 46.19 44.13 3bsm s LEU 218 CO 0.60 -0.14 0.62 0.42 0.02 0.00 0.00 176.35 177.87 3bsm s THR 219 N -2.21 4.57 0.21 5.49 -4.23 -1.26 -4.46 115.64 113.76 3bsm s THR 219 Ca 0.35 -0.45 -0.11 0.00 -1.18 0.00 0.00 61.69 60.31 3bsm s THR 219 Cb -0.07 -3.68 0.17 0.00 1.34 0.00 0.00 72.50 70.26 3bsm s THR 219 CO 0.25 -0.47 1.69 -0.65 -0.54 0.00 0.00 174.62 174.90 3bsm h PRO 220 N 0.56 0.17 -0.04 3.99 0.11 -1.93 -1.00 132.00 133.86 3bsm h PRO 220 Ca -0.48 -0.01 -0.06 0.00 0.11 0.00 0.00 66.00 65.56 3bsm h PRO 220 Cb 1.23 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 32.30 3bsm h PRO 220 CO 0.59 0.12 -0.25 0.97 -0.21 0.00 0.00 178.00 179.22 3bsm h ILE 221 N 0.18 1.20 -0.17 4.15 6.09 -1.92 0.53 117.51 127.56 3bsm h ILE 221 Ca 0.31 -0.93 -0.18 0.00 -1.37 0.00 0.00 64.86 62.68 3bsm h ILE 221 Cb 0.47 1.44 -0.00 0.00 0.47 0.00 0.00 36.82 39.21 3bsm h ILE 221 CO -0.45 0.27 -0.64 -0.33 -3.07 0.00 0.00 178.15 173.93 3bsm h GLU 222 N 0.07 0.63 -0.27 2.19 5.08 -1.71 -1.60 114.58 118.97 3bsm h GLU 222 Ca 0.01 -0.45 -0.11 0.00 -1.00 0.00 0.00 59.36 57.81 3bsm h GLU 222 Cb 0.48 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.79 3bsm h GLU 222 CO 0.03 1.07 -0.31 0.00 -1.00 0.00 0.00 179.01 178.80 3bsm h ALA 223 N 0.82 0.96 -0.32 3.43 0.00 -0.68 -0.56 119.26 122.92 3bsm h ALA 223 Ca -0.01 -0.39 -0.01 0.00 0.00 0.00 0.00 54.91 54.50 3bsm h ALA 223 Cb 1.22 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.87 3bsm h ALA 223 CO 0.12 0.61 0.18 0.00 0.00 0.00 0.00 179.25 180.16 3bsm h ALA 224 N 1.18 0.41 -0.30 0.00 0.00 -0.69 0.14 119.26 120.00 3bsm h ALA 224 Ca 0.06 -0.07 0.02 0.00 0.00 0.00 0.00 54.91 54.92 3bsm h ALA 224 Cb 0.78 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.42 3bsm h ALA 224 CO 0.06 -0.07 0.16 -0.09 0.00 0.00 0.00 179.25 179.32 3bsm h ARG 225 N 0.40 0.32 -0.49 0.00 2.43 -0.94 -1.50 114.38 114.60 3bsm h ARG 225 Ca 0.11 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.27 3bsm h ARG 225 Cb 0.05 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.50 3bsm h ARG 225 CO -0.02 0.21 0.32 1.25 -1.51 0.00 0.00 179.97 180.22 3bsm h LEU 226 N 0.33 0.58 -0.63 3.80 5.85 -0.69 -1.31 115.31 123.24 3bsm h LEU 226 Ca 0.12 -0.03 0.05 0.00 0.84 0.00 0.00 57.88 58.86 3bsm h LEU 226 Cb 0.02 -0.14 -0.05 0.00 0.37 0.00 0.00 40.66 40.86 3bsm h LEU 226 CO -0.07 0.44 0.35 1.23 -0.34 0.00 0.00 178.44 180.04 3bsm h GLY 227 N 0.66 0.91 0.91 3.75 0.00 -0.30 -1.68 103.07 107.33 3bsm h GLY 227 Ca 0.18 -0.25 -0.04 0.00 0.00 0.00 0.00 47.33 47.23 3bsm h GLY 227 CO -0.04 0.16 0.08 0.50 0.00 0.00 0.00 176.54 177.24 3bsm h LYS 228 N 0.66 0.57 -0.13 4.80 1.57 -0.97 -2.72 116.57 120.35 3bsm h LYS 228 Ca 0.28 -0.14 -0.03 0.00 -1.87 0.00 0.00 60.65 58.89 3bsm h LYS 228 Cb 0.15 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.38 3bsm h LYS 228 CO -0.17 0.63 -0.03 0.00 -0.57 0.00 0.00 179.45 179.31 3bsm h ALA 229 N 0.92 1.70 -0.19 3.86 0.00 -0.77 -2.61 119.26 122.17 3bsm h ALA 229 Ca 0.11 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3bsm h ALA 229 Cb 0.32 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.04 3bsm h ALA 229 CO 0.00 0.23 0.00 1.33 0.00 0.00 0.00 179.25 180.81 3bsm n VAL 230 N -4.39 0.24 -0.33 0.00 0.24 -0.68 -4.42 118.33 108.99 3bsm n VAL 230 Ca -0.01 -0.51 0.11 0.00 -2.04 0.00 0.00 64.34 61.89 3bsm n VAL 230 Cb 0.18 0.86 0.32 0.00 -1.47 0.00 0.00 33.84 33.73 3bsm n VAL 230 CO 0.00 0.00 0.00 -0.33 -2.14 0.00 0.00 176.83 174.36 3bsm h GLU 231 N 3.60 0.78 0.00 7.34 5.08 -1.14 0.07 114.58 130.31 3bsm h GLU 231 Ca 0.00 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 3bsm h GLU 231 Cb 0.78 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.86 3bsm h GLU 231 CO 0.00 0.51 0.00 -1.35 -1.00 0.00 0.00 179.01 177.17 3bsm h PRO 232 N 0.80 0.00 -0.02 2.33 0.11 -1.80 -2.26 132.00 131.15 3bsm h PRO 232 Ca 0.51 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.62 3bsm h PRO 232 Cb 0.74 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.85 3bsm h PRO 232 CO -0.28 0.00 -0.05 0.66 -0.21 0.00 0.00 178.00 178.12 3bsm n TYR 233 N -2.96 0.00 -3.75 0.65 4.01 0.01 -5.00 117.16 110.12 3bsm n TYR 233 Ca -0.01 0.00 -0.27 0.00 -0.16 0.00 0.00 57.90 57.46 3bsm n TYR 233 Cb 0.18 -0.01 0.01 0.00 -0.31 0.00 0.00 39.34 39.21 3bsm n TYR 233 CO 0.00 0.00 0.00 0.72 -0.46 0.00 0.00 176.86 177.12 3bsm n HIS 234 N 0.42 -2.01 -2.26 -0.72 8.25 -0.85 -4.92 115.22 113.13 3bsm n HIS 234 Ca 0.16 0.66 -0.36 0.00 -0.26 0.00 0.00 57.72 57.93 3bsm n HIS 234 Cb 0.43 -3.02 -0.00 0.00 1.12 0.00 0.00 29.99 28.51 3bsm n HIS 234 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3bsm s LEU 235 N -5.56 3.90 0.16 2.41 1.02 -1.26 -4.72 118.68 114.63 3bsm s LEU 235 Ca 0.16 2.25 -0.13 0.00 0.02 0.00 0.00 54.13 56.44 3bsm s LEU 235 Cb -0.08 -4.38 0.04 0.00 0.02 0.00 0.00 46.19 41.79 3bsm s LEU 235 CO 0.89 -1.04 1.67 0.15 0.02 0.00 0.00 176.35 178.04 3bsm h PHE 236 N 1.69 0.88 -2.21 0.29 3.57 -1.17 -3.40 116.94 116.60 3bsm h PHE 236 Ca -0.50 -0.10 0.15 0.00 3.53 0.00 0.00 57.97 61.05 3bsm h PHE 236 Cb 1.25 -0.25 -0.13 0.00 2.79 0.00 0.00 35.95 39.61 3bsm h PHE 236 CO 0.52 0.77 0.53 1.67 -2.23 0.00 0.00 178.31 179.57 3bsm s TRP 237 N -5.34 -0.26 -0.22 0.41 -2.14 -1.25 -4.62 118.94 105.52 3bsm s TRP 237 Ca -0.13 0.08 0.01 0.00 2.66 0.00 0.00 56.10 58.73 3bsm s TRP 237 Cb 0.12 0.57 0.05 0.00 -3.10 0.00 0.00 33.47 31.11 3bsm s TRP 237 CO 0.80 -0.59 -0.07 -1.17 -2.66 0.00 0.00 176.95 173.26 3bsm s LEU 238 N -2.61 2.53 0.18 -4.66 2.96 -0.31 -2.27 118.68 114.50 3bsm s LEU 238 Ca 0.08 -1.09 0.05 0.00 -0.22 0.00 0.00 54.13 52.95 3bsm s LEU 238 Cb -0.01 -1.22 -0.04 0.00 0.50 0.00 0.00 46.19 45.42 3bsm s LEU 238 CO -0.05 -0.20 0.18 -1.83 -1.32 0.00 0.00 176.35 173.12 3bsm s GLU 239 N 1.38 3.00 -1.39 1.98 -1.05 -0.10 -1.98 118.70 120.53 3bsm s GLU 239 Ca -0.05 -0.87 -0.00 0.00 -0.15 0.00 0.00 54.97 53.90 3bsm s GLU 239 Cb -0.18 -2.68 0.00 0.00 -0.44 0.00 0.00 34.13 30.83 3bsm s GLU 239 CO -0.07 0.47 0.48 -3.47 0.95 0.00 0.00 175.26 173.63 3bsm n ASP 240 N -0.60 -0.55 -0.10 0.83 2.03 -0.75 -1.78 116.55 115.64 3bsm n ASP 240 Ca -0.08 -0.97 -0.09 0.00 0.52 0.00 0.00 54.79 54.18 3bsm n ASP 240 Cb 0.55 -3.27 -0.01 0.00 -0.72 0.00 0.00 41.12 37.68 3bsm n ASP 240 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3bsm s VAL 242 N -6.17 0.12 0.12 0.00 -7.23 -1.26 -3.29 120.40 102.69 3bsm s VAL 242 Ca -0.13 -1.69 -0.31 0.00 -1.81 0.00 0.00 61.98 58.04 3bsm s VAL 242 Cb 0.10 -1.83 -0.09 0.00 0.56 0.00 0.00 36.38 35.12 3bsm s VAL 242 CO 0.71 -0.54 1.59 -2.84 -0.31 0.00 0.00 175.10 173.71 3bsm s PRO 243 N -3.99 4.22 -0.29 4.82 0.02 -1.26 -4.81 135.00 133.71 3bsm s PRO 243 Ca 0.17 2.32 0.09 0.00 0.02 0.00 0.00 61.00 63.60 3bsm s PRO 243 Cb 0.06 -3.36 0.50 0.00 0.02 0.00 0.00 34.50 31.73 3bsm s PRO 243 CO -0.02 -0.65 1.45 0.00 -0.33 0.00 0.00 177.00 177.45 3bsm n ALA 244 N 4.68 4.31 0.18 -1.55 0.00 -1.26 -4.61 120.51 122.26 3bsm n ALA 244 Ca 0.14 -3.18 0.05 0.00 0.00 0.00 0.00 53.44 50.46 3bsm n ALA 244 Cb 0.40 -0.71 0.51 0.00 0.00 0.00 0.00 19.45 19.65 3bsm n ALA 244 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 3bsm h GLU 245 N 1.01 0.14 -4.25 0.00 3.07 -1.95 -3.26 114.58 109.33 3bsm h GLU 245 Ca 0.21 -0.02 -0.74 0.00 -0.50 0.00 0.00 59.36 58.31 3bsm h GLU 245 Cb 1.61 -0.03 -0.23 0.00 -0.84 0.00 0.00 28.75 29.26 3bsm h GLU 245 CO 0.37 0.20 -0.31 1.21 -1.40 0.00 0.00 179.01 179.07 3bsm s ASN 246 N -6.95 6.11 0.58 1.42 3.84 -1.26 -4.95 114.94 113.73 3bsm s ASN 246 Ca -0.05 -1.49 0.27 0.00 0.21 0.00 0.00 52.86 51.80 3bsm s ASN 246 Cb 0.16 -2.17 1.61 0.00 -0.55 0.00 0.00 41.25 40.30 3bsm s ASN 246 CO 0.70 -0.70 2.11 1.56 -2.79 0.00 0.00 177.10 177.98 3bsm h GLN 247 N 8.76 0.00 0.00 0.43 4.20 -1.90 -0.86 115.11 125.74 3bsm h GLN 247 Ca -0.28 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.43 3bsm h GLN 247 Cb 1.10 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.88 3bsm h GLN 247 CO 0.92 0.00 0.00 0.93 -0.67 0.00 0.00 178.83 180.01 3bsm h GLU 248 N 0.00 0.00 -0.20 1.46 5.08 -1.92 -2.84 114.58 116.15 3bsm h GLU 248 Ca 0.09 0.00 0.06 0.00 -1.00 0.00 0.00 59.36 58.51 3bsm h GLU 248 Cb 0.46 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.71 3bsm h GLU 248 CO -0.00 0.00 0.23 0.77 -1.00 0.00 0.00 179.01 179.01 3bsm h SER 249 N 0.00 0.00 1.35 1.42 0.02 -1.49 -1.09 113.55 113.76 3bsm h SER 249 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3bsm h SER 249 Cb 0.13 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.67 3bsm h SER 249 CO 0.00 0.00 -0.25 -0.07 -1.14 0.00 0.00 176.83 175.37 3bsm h LEU 250 N 0.00 0.00 -0.16 5.07 4.07 -1.75 -3.39 115.31 119.16 3bsm h LEU 250 Ca 0.10 -0.06 0.05 0.00 0.08 0.00 0.00 57.88 58.04 3bsm h LEU 250 Cb 0.55 0.00 -0.06 0.00 1.08 0.00 0.00 40.66 42.22 3bsm h LEU 250 CO -0.00 0.03 -0.31 -0.09 -1.08 0.00 0.00 178.44 176.99 3bsm h ARG 251 N 0.00 -0.36 -0.81 1.13 2.43 -1.41 -1.74 114.38 113.62 3bsm h ARG 251 Ca 0.00 0.02 0.06 0.00 -0.81 0.00 0.00 59.98 59.26 3bsm h ARG 251 Cb 0.80 0.08 -0.05 0.00 -0.42 0.00 0.00 29.97 30.38 3bsm h ARG 251 CO 0.00 -0.24 0.53 -0.07 -1.51 0.00 0.00 179.97 178.68 3bsm h LEU 252 N -0.37 0.79 -0.03 3.80 3.38 -1.77 -1.07 115.31 120.04 3bsm h LEU 252 Ca 0.10 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.07 3bsm h LEU 252 Cb 0.54 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 41.12 3bsm h LEU 252 CO -0.36 0.51 -0.00 0.40 0.09 0.00 0.00 178.44 179.08 3bsm h ILE 253 N 0.90 1.25 -0.39 1.22 2.04 -1.60 -2.61 117.51 118.32 3bsm h ILE 253 Ca 0.35 -0.76 -0.01 0.00 1.00 0.00 0.00 64.86 65.43 3bsm h ILE 253 Cb 0.21 1.71 -0.02 0.00 -0.74 0.00 0.00 36.82 37.99 3bsm h ILE 253 CO -0.12 0.20 0.18 -0.09 0.00 0.00 0.00 178.15 178.32 3bsm h ARG 254 N -0.26 0.54 0.00 2.37 9.65 -0.92 -1.76 114.38 124.00 3bsm h ARG 254 Ca 0.01 -0.06 -0.03 0.00 -1.10 0.00 0.00 59.98 58.80 3bsm h ARG 254 Cb 0.33 -0.11 -0.00 0.00 -1.39 0.00 0.00 29.97 28.79 3bsm h ARG 254 CO 0.00 0.43 -0.14 0.93 2.80 0.00 0.00 179.97 183.98 3bsm h GLU 255 N 0.54 0.00 -0.01 0.20 5.08 -1.13 -3.33 114.58 115.94 3bsm h GLU 255 Ca 0.14 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.50 3bsm h GLU 255 Cb 0.07 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.32 3bsm h GLU 255 CO -0.02 0.14 -0.47 0.72 -1.00 0.00 0.00 179.01 178.38 3bsm n HIS 256 N -3.20 0.00 -3.93 4.33 8.25 -0.73 -5.03 115.22 114.91 3bsm n HIS 256 Ca 0.02 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.38 3bsm n HIS 256 Cb 0.47 0.00 -0.09 0.00 1.12 0.00 0.00 29.99 31.49 3bsm n HIS 256 CO 0.00 0.00 0.00 -0.08 0.64 0.00 0.00 176.34 176.90 3bsm s THR 257 N -2.04 0.13 -1.15 1.59 -1.32 -0.79 -4.69 115.64 107.38 3bsm s THR 257 Ca 0.09 -1.07 0.17 0.00 -1.21 0.00 0.00 61.69 59.66 3bsm s THR 257 Cb 0.11 -0.86 0.55 0.00 -1.51 0.00 0.00 72.50 70.80 3bsm s THR 257 CO 0.47 -0.59 1.47 0.35 -2.21 0.00 0.00 174.62 174.10 3bsm n THR 258 N 0.82 1.42 -2.51 5.08 -2.24 -1.26 -4.72 114.28 110.87 3bsm n THR 258 Ca -0.19 -1.17 -0.42 0.00 -2.27 0.00 0.00 64.05 60.00 3bsm n THR 258 Cb 0.58 0.29 -0.03 0.00 -2.10 0.00 0.00 70.33 69.07 3bsm n THR 258 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 3bsm s THR 259 N -1.49 4.32 0.35 4.28 2.01 -1.26 -4.98 115.64 118.87 3bsm s THR 259 Ca 0.41 1.66 -0.28 0.00 0.31 0.00 0.00 61.69 63.79 3bsm s THR 259 Cb 0.25 -4.06 -0.12 0.00 0.01 0.00 0.00 72.50 68.58 3bsm s THR 259 CO 0.22 0.10 1.42 -2.65 -0.69 0.00 0.00 174.62 173.03 3bsm n PRO 260 N 4.16 2.46 -4.92 4.92 -0.02 -1.26 -4.89 135.00 135.44 3bsm n PRO 260 Ca 0.08 0.86 -0.32 0.00 -2.02 0.00 0.00 63.50 62.11 3bsm n PRO 260 Cb 0.48 -2.54 -0.14 0.00 -0.02 0.00 0.00 33.50 31.28 3bsm n PRO 260 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3bsm s LEU 261 N -1.49 2.56 0.01 2.45 1.43 -1.26 -1.16 118.68 121.21 3bsm s LEU 261 Ca 0.55 -0.31 0.04 0.00 -1.03 0.00 0.00 54.13 53.38 3bsm s LEU 261 Cb -0.52 -1.50 -0.01 0.00 0.03 0.00 0.00 46.19 44.19 3bsm s LEU 261 CO 0.62 0.32 -0.12 0.00 0.23 0.00 0.00 176.35 177.40 3bsm s ALA 262 N -0.75 0.98 0.17 4.21 0.00 -0.84 0.15 121.76 125.67 3bsm s ALA 262 Ca 0.12 -0.60 -0.21 0.00 0.00 0.00 0.00 51.96 51.27 3bsm s ALA 262 Cb -0.10 -0.20 0.05 0.00 0.00 0.00 0.00 23.12 22.86 3bsm s ALA 262 CO 0.01 0.21 0.57 -1.50 0.00 0.00 0.00 175.76 175.06 3bsm s ILE 263 N -0.49 0.01 0.00 0.00 -1.16 -0.92 -1.81 121.20 116.83 3bsm s ILE 263 Ca 0.03 -0.32 0.00 0.00 -0.51 0.00 0.00 60.65 59.85 3bsm s ILE 263 Cb -0.06 -1.23 0.00 0.00 0.61 0.00 0.00 42.46 41.78 3bsm s ILE 263 CO 0.00 -0.06 0.00 0.61 -2.81 0.00 0.00 174.94 172.68 3bsm n GLY 264 N -0.36 1.08 0.32 1.50 0.00 -1.26 -0.85 105.19 105.62 3bsm n GLY 264 Ca -0.14 0.00 0.20 0.00 0.00 0.00 0.00 46.02 46.07 3bsm n GLY 264 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 3bsm h GLU 265 N 1.92 0.00 -0.34 1.61 4.11 -1.96 -1.41 114.58 118.51 3bsm h GLU 265 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 3bsm h GLU 265 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 3bsm h GLU 265 CO 0.00 0.00 0.00 1.55 0.07 0.00 0.00 179.01 180.63 3bsm n VAL 266 N -3.38 0.74 -2.36 -1.06 3.14 -1.26 -4.54 118.33 109.60 3bsm n VAL 266 Ca -0.03 -0.87 -0.34 0.00 -2.96 0.00 0.00 64.34 60.14 3bsm n VAL 266 Cb 0.08 0.71 -0.02 0.00 -1.06 0.00 0.00 33.84 33.55 3bsm n VAL 266 CO 0.00 0.00 0.00 -0.36 -6.46 0.00 0.00 176.83 170.01 3bsm s PHE 267 N -1.05 2.91 -0.05 1.45 0.08 -0.60 -4.98 117.98 115.75 3bsm s PHE 267 Ca 0.26 1.56 0.02 0.00 0.12 0.00 0.00 56.93 58.89 3bsm s PHE 267 Cb 0.15 -3.11 -0.03 0.00 -0.57 0.00 0.00 43.02 39.46 3bsm s PHE 267 CO 0.20 -1.07 0.07 0.09 -0.10 0.00 0.00 175.22 174.40 3bsm n ASN 268 N -1.29 2.29 -4.04 1.36 4.13 -1.26 -4.36 115.26 112.09 3bsm n ASN 268 Ca 0.10 -0.28 -0.08 0.00 1.68 0.00 0.00 54.58 56.00 3bsm n ASN 268 Cb 0.52 1.05 -0.10 0.00 -1.54 0.00 0.00 39.78 39.71 3bsm n ASN 268 CO 0.00 0.00 0.00 -0.55 0.28 0.00 0.00 177.26 176.99 3bsm s SER 269 N -1.71 0.38 0.56 6.41 0.15 -1.26 -4.28 113.70 113.94 3bsm s SER 269 Ca 0.00 -0.78 0.30 0.00 0.70 0.00 0.00 55.95 56.17 3bsm s SER 269 Cb 0.01 0.16 1.69 0.00 -1.71 0.00 0.00 66.02 66.17 3bsm s SER 269 CO 0.09 -0.47 2.17 -0.29 1.20 0.00 0.00 173.24 175.94 3bsm h ILE 270 N 3.81 0.49 0.00 6.45 2.10 -1.93 -0.08 117.51 128.35 3bsm h ILE 270 Ca -0.33 -0.27 0.00 0.00 1.08 0.00 0.00 64.86 65.34 3bsm h ILE 270 Cb 1.17 1.18 0.00 0.00 -1.09 0.00 0.00 36.82 38.08 3bsm h ILE 270 CO 0.55 0.06 0.00 1.41 -1.08 0.00 0.00 178.15 179.08 3bsm n HIS 271 N -3.67 0.00 0.72 2.19 8.25 -1.26 -0.96 115.22 120.49 3bsm n HIS 271 Ca -0.02 0.00 0.12 0.00 -0.26 0.00 0.00 57.72 57.56 3bsm n HIS 271 Cb 0.16 -0.47 0.30 0.00 1.12 0.00 0.00 29.99 31.10 3bsm n HIS 271 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 3bsm n ASP 272 N -1.47 0.59 0.00 0.41 8.00 -0.04 -4.27 116.55 119.77 3bsm n ASP 272 Ca 0.06 0.20 0.00 0.00 0.71 0.00 0.00 54.79 55.76 3bsm n ASP 272 Cb 0.24 -0.12 0.00 0.00 -0.02 0.00 0.00 41.12 41.21 3bsm n ASP 272 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3bsm h ARG 274 N 0.00 0.16 -0.37 0.00 2.43 -1.23 -1.28 114.38 114.09 3bsm h ARG 274 Ca 0.00 -0.01 -0.08 0.00 -0.81 0.00 0.00 59.98 59.08 3bsm h ARG 274 Cb 0.50 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.00 3bsm h ARG 274 CO 0.00 0.10 -0.07 0.93 -1.51 0.00 0.00 179.97 179.43 3bsm h GLU 275 N 0.16 0.70 -0.63 0.20 5.08 -1.87 -0.99 114.58 117.22 3bsm h GLU 275 Ca 0.22 -0.26 0.09 0.00 -1.00 0.00 0.00 59.36 58.41 3bsm h GLU 275 Cb 0.30 -0.05 -0.07 0.00 0.50 0.00 0.00 28.75 29.43 3bsm h GLU 275 CO -0.32 0.84 0.26 -0.07 -1.00 0.00 0.00 179.01 178.72 3bsm h LEU 276 N 0.50 0.29 0.05 1.33 3.38 -1.77 -1.02 115.31 118.07 3bsm h LEU 276 Ca 0.10 0.07 -0.00 0.00 0.09 0.00 0.00 57.88 58.14 3bsm h LEU 276 Cb 0.57 0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.35 3bsm h LEU 276 CO 0.03 0.17 -0.03 0.40 0.09 0.00 0.00 178.44 179.11 3bsm h ILE 277 N 0.46 1.26 0.00 1.22 2.04 -1.14 -0.31 117.51 121.03 3bsm h ILE 277 Ca 0.31 -1.16 -0.03 0.00 1.00 0.00 0.00 64.86 64.98 3bsm h ILE 277 Cb 0.37 2.01 -0.00 0.00 -0.74 0.00 0.00 36.82 38.45 3bsm h ILE 277 CO -0.29 0.29 -0.14 1.56 0.00 0.00 0.00 178.15 179.56 3bsm h GLN 278 N -0.60 0.00 -0.02 2.37 4.20 -0.99 -1.44 115.11 118.63 3bsm h GLN 278 Ca -0.01 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.70 3bsm h GLN 278 Cb 0.52 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.30 3bsm h GLN 278 CO 0.01 0.14 -0.06 0.09 -0.67 0.00 0.00 178.83 178.35 3bsm n ASN 279 N -3.75 1.70 -3.55 1.46 3.02 -0.40 -4.96 115.26 108.79 3bsm n ASN 279 Ca -0.02 -1.49 -0.20 0.00 -0.03 0.00 0.00 54.58 52.84 3bsm n ASN 279 Cb 0.25 0.04 0.07 0.00 -0.61 0.00 0.00 39.78 39.54 3bsm n ASN 279 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3bsm n GLN 280 N 0.24 -6.45 0.00 3.52 6.02 -0.54 -4.92 117.38 115.24 3bsm n GLN 280 Ca 0.17 0.78 0.12 0.00 -0.01 0.00 0.00 57.00 58.06 3bsm n GLN 280 Cb 0.40 -5.70 0.21 0.00 1.02 0.00 0.00 30.24 26.17 3bsm n GLN 280 CO 0.00 0.00 0.00 0.91 -1.01 0.00 0.00 177.06 176.96 3bsm n TRP 281 N -4.36 0.00 -4.05 1.08 8.01 -0.15 -4.94 117.44 113.03 3bsm n TRP 281 Ca -0.22 0.00 -0.08 0.00 -1.31 0.00 0.00 57.50 55.89 3bsm n TRP 281 Cb 0.64 -0.05 -0.09 0.00 -2.01 0.00 0.00 31.31 29.80 3bsm n TRP 281 CO 0.00 0.00 0.00 0.96 -1.01 0.00 0.00 177.69 177.64 3bsm s ILE 282 N -2.38 0.17 -0.02 -0.99 -4.36 -1.25 -4.78 121.20 107.59 3bsm s ILE 282 Ca 0.24 -1.69 0.09 0.00 -0.26 0.00 0.00 60.65 59.03 3bsm s ILE 282 Cb 0.19 -1.63 -0.14 0.00 1.25 0.00 0.00 42.46 42.13 3bsm s ILE 282 CO 0.50 -0.76 0.18 0.47 0.24 0.00 0.00 174.94 175.57 3bsm n ASP 283 N 0.01 2.95 -3.81 4.36 8.00 0.12 -4.73 116.55 123.44 3bsm n ASP 283 Ca -0.12 0.00 -0.13 0.00 0.71 0.00 0.00 54.79 55.25 3bsm n ASP 283 Cb 0.62 1.36 -0.15 0.00 -0.02 0.00 0.00 41.12 42.93 3bsm n ASP 283 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 3bsm s TYR 284 N -2.59 -0.01 -0.20 1.24 2.02 -0.92 -0.92 117.35 115.97 3bsm s TYR 284 Ca -0.03 0.12 -0.09 0.00 -0.37 0.00 0.00 57.07 56.70 3bsm s TYR 284 Cb 0.05 -0.10 -0.04 0.00 -0.40 0.00 0.00 41.96 41.47 3bsm s TYR 284 CO 0.37 -0.06 0.09 -1.50 -1.57 0.00 0.00 175.55 172.89 3bsm s ILE 285 N 0.55 5.02 -1.47 2.71 1.10 -0.43 -2.17 121.20 126.51 3bsm s ILE 285 Ca -0.05 0.05 0.22 0.00 -0.51 0.00 0.00 60.65 60.37 3bsm s ILE 285 Cb -0.06 -3.28 -0.10 0.00 0.15 0.00 0.00 42.46 39.16 3bsm s ILE 285 CO -0.02 0.44 1.04 0.54 -2.11 0.00 0.00 174.94 174.83 3bsm n ARG 286 N 3.66 0.54 -1.65 3.50 5.12 -0.03 -1.14 116.66 126.66 3bsm n ARG 286 Ca -0.16 -0.44 -0.52 0.00 -1.93 0.00 0.00 57.85 54.79 3bsm n ARG 286 Cb 0.52 -1.49 -0.06 0.00 -1.16 0.00 0.00 32.46 30.27 3bsm n ARG 286 CO 0.00 0.00 0.00 -0.12 -1.93 0.00 0.00 177.63 175.58 3bsm n MET 287 N -0.84 1.44 -3.31 5.56 1.56 -0.83 -1.52 117.12 119.19 3bsm n MET 287 Ca 0.07 0.52 -0.25 0.00 -0.27 0.00 0.00 57.70 57.78 3bsm n MET 287 Cb 0.39 -2.23 -0.01 0.00 2.15 0.00 0.00 33.22 33.52 3bsm n MET 287 CO 0.00 0.00 0.00 -1.25 -0.73 0.00 0.00 175.97 173.99 3bsm s PRO 288 N 1.94 3.50 0.18 2.12 0.04 -1.26 -4.59 135.00 136.94 3bsm s PRO 288 Ca 0.89 -0.26 -0.20 0.00 0.04 0.00 0.00 61.00 61.47 3bsm s PRO 288 Cb -0.91 -2.64 0.11 0.00 0.04 0.00 0.00 34.50 31.11 3bsm s PRO 288 CO 0.52 0.12 1.61 -0.07 0.04 0.00 0.00 177.00 179.22 3bsm h LEU 289 N 0.79 -0.89 -0.79 -3.56 3.38 -1.89 0.35 115.31 112.69 3bsm h LEU 289 Ca -0.49 0.19 -0.06 0.00 0.09 0.00 0.00 57.88 57.61 3bsm h LEU 289 Cb 1.21 0.46 -0.03 0.00 0.09 0.00 0.00 40.66 42.39 3bsm h LEU 289 CO 0.62 -0.27 0.26 0.71 0.09 0.00 0.00 178.44 179.84 3bsm h THR 290 N -0.16 1.26 -0.00 0.22 1.35 -1.92 0.96 112.91 114.62 3bsm h THR 290 Ca 0.21 -0.88 0.00 0.00 -0.55 0.00 0.00 66.41 65.19 3bsm h THR 290 Cb 0.50 0.40 0.00 0.00 -1.73 0.00 0.00 68.15 67.32 3bsm h THR 290 CO -0.57 0.35 -0.45 1.41 -0.25 0.00 0.00 175.52 176.02 3bsm n HIS 291 N -4.26 0.00 -1.40 4.73 8.25 -1.10 -3.75 115.22 117.70 3bsm n HIS 291 Ca 0.06 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.41 3bsm n HIS 291 Cb 0.22 -0.25 0.19 0.00 1.12 0.00 0.00 29.99 31.27 3bsm n HIS 291 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3bsm n GLY 292 N 1.48 4.83 2.31 -1.41 0.00 0.09 -4.16 105.19 108.33 3bsm n GLY 292 Ca 0.06 -1.23 0.00 0.00 0.00 0.00 0.00 46.02 44.85 3bsm n GLY 292 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3bsm n GLY 293 N -1.13 0.51 3.42 -0.02 0.00 -1.22 -4.23 105.19 102.53 3bsm n GLY 293 Ca 0.43 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.45 3bsm n GLY 293 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3bsm n GLY 294 N -2.40 -2.08 0.23 -0.02 0.00 0.32 -4.03 105.19 97.20 3bsm n GLY 294 Ca 0.00 -1.72 -0.05 0.00 0.00 0.00 0.00 46.02 44.25 3bsm n GLY 294 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3bsm h ILE 295 N 0.00 1.08 -0.25 -0.61 1.08 -1.88 -0.97 117.51 115.97 3bsm h ILE 295 Ca 0.00 -0.24 0.03 0.00 -0.39 0.00 0.00 64.86 64.26 3bsm h ILE 295 Cb 0.00 0.33 -0.03 0.00 -3.07 0.00 0.00 36.82 34.05 3bsm h ILE 295 CO 0.00 0.13 0.06 0.74 -0.69 0.00 0.00 178.15 178.38 3bsm h THR 296 N 0.69 0.90 -0.15 -0.27 2.02 -1.92 -1.77 112.91 112.41 3bsm h THR 296 Ca 0.22 -0.05 -0.17 0.00 0.77 0.00 0.00 66.41 67.18 3bsm h THR 296 Cb -0.01 0.73 0.01 0.00 -1.74 0.00 0.00 68.15 67.14 3bsm h THR 296 CO -0.08 0.03 -0.57 0.00 0.37 0.00 0.00 175.52 175.26 3bsm h ALA 297 N 1.17 0.27 0.00 6.16 0.00 -1.66 -3.26 119.26 121.95 3bsm h ALA 297 Ca 0.11 -0.53 0.00 0.00 0.00 0.00 0.00 54.91 54.50 3bsm h ALA 297 Cb 0.10 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.87 3bsm h ALA 297 CO -0.14 0.50 0.00 1.98 0.00 0.00 0.00 179.25 181.59 3bsm h MET 298 N 0.32 0.00 -0.55 0.00 -1.53 -1.12 -2.17 114.93 109.88 3bsm h MET 298 Ca -0.03 0.00 -0.10 0.00 -3.44 0.00 0.00 59.70 56.13 3bsm h MET 298 Cb 1.20 0.00 -0.02 0.00 -0.55 0.00 0.00 31.60 32.23 3bsm h MET 298 CO 0.12 0.00 -0.05 -0.09 0.14 0.00 0.00 176.91 177.03 3bsm h ARG 299 N 0.00 0.99 -0.24 0.39 2.43 -1.36 -0.28 114.38 116.31 3bsm h ARG 299 Ca 0.00 -0.33 -0.20 0.00 -0.81 0.00 0.00 59.98 58.65 3bsm h ARG 299 Cb 0.58 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 30.05 3bsm h ARG 299 CO 0.00 1.00 -0.61 0.00 -1.51 0.00 0.00 179.97 178.85 3bsm h ARG 300 N 0.89 0.85 -0.70 0.20 3.08 -1.49 -1.65 114.38 115.55 3bsm h ARG 300 Ca 0.15 -0.58 -0.07 0.00 0.07 0.00 0.00 59.98 59.55 3bsm h ARG 300 Cb 0.59 0.09 -0.03 0.00 0.08 0.00 0.00 29.97 30.70 3bsm h ARG 300 CO 0.04 1.21 0.16 -0.39 -1.07 0.00 0.00 179.97 179.92 3bsm h VAL 301 N 0.61 1.26 -0.61 2.04 -1.51 -1.23 -0.73 116.25 116.09 3bsm h VAL 301 Ca -0.01 -0.98 -0.05 0.00 -1.23 0.00 0.00 66.70 64.44 3bsm h VAL 301 Cb 1.23 0.55 -0.03 0.00 -2.13 0.00 0.00 31.29 30.91 3bsm h VAL 301 CO 0.13 0.38 0.20 0.00 -1.23 0.00 0.00 177.57 177.05 3bsm h ALA 302 N 1.10 0.79 -0.10 5.19 0.00 -0.99 -0.25 119.26 125.00 3bsm h ALA 302 Ca 0.22 -0.20 0.01 0.00 0.00 0.00 0.00 54.91 54.94 3bsm h ALA 302 Cb 0.38 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 3bsm h ALA 302 CO 0.00 0.45 0.04 -0.44 0.00 0.00 0.00 179.25 179.31 3bsm h ASP 303 N 0.86 0.05 -0.31 0.00 3.32 -0.89 -0.58 116.42 118.87 3bsm h ASP 303 Ca 0.20 0.01 0.01 0.00 0.02 0.00 0.00 57.03 57.27 3bsm h ASP 303 Cb 0.27 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.80 3bsm h ASP 303 CO -0.01 0.04 0.18 0.25 -1.72 0.00 0.00 179.24 177.98 3bsm h LEU 304 N 0.09 0.28 -0.82 1.55 5.85 -0.90 -2.68 115.31 118.68 3bsm h LEU 304 Ca 0.04 0.00 0.09 0.00 0.84 0.00 0.00 57.88 58.86 3bsm h LEU 304 Cb 0.02 -0.05 -0.07 0.00 0.37 0.00 0.00 40.66 40.92 3bsm h LEU 304 CO -0.04 0.21 0.47 0.00 -0.34 0.00 0.00 178.44 178.74 3bsm h ALA 305 N 1.14 1.17 0.00 1.25 0.00 -0.73 -1.60 119.26 120.50 3bsm h ALA 305 Ca 0.12 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 3bsm h ALA 305 Cb 0.01 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.66 3bsm h ALA 305 CO -0.06 0.10 -0.04 0.66 0.00 0.00 0.00 179.25 179.91 3bsm h SER 306 N 0.80 0.00 0.81 0.00 4.64 -0.76 -0.18 113.55 118.86 3bsm h SER 306 Ca 0.40 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.72 3bsm h SER 306 Cb 0.36 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.45 3bsm h SER 306 CO -0.24 0.04 0.00 -0.07 -0.87 0.00 0.00 176.83 175.68 3bsm h LEU 307 N 0.00 0.00 -2.88 5.97 3.38 -1.24 -3.18 115.31 117.36 3bsm h LEU 307 Ca -0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 3bsm h LEU 307 Cb 0.09 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.81 3bsm h LEU 307 CO 0.00 0.00 -0.26 -1.22 0.09 0.00 0.00 178.44 177.05 3bsm n TYR 308 N -2.92 0.00 -1.03 1.13 4.01 -0.18 -4.98 117.16 113.19 3bsm n TYR 308 Ca 0.00 -0.99 -0.01 0.00 -0.16 0.00 0.00 57.90 56.74 3bsm n TYR 308 Cb 0.25 -0.17 -0.00 0.00 -0.31 0.00 0.00 39.34 39.11 3bsm n TYR 308 CO 0.00 0.00 0.00 0.72 -0.46 0.00 0.00 176.86 177.12 3bsm n HIS 309 N -1.06 0.00 -2.96 -0.72 8.25 -1.08 -4.89 115.22 112.76 3bsm n HIS 309 Ca 0.14 0.00 -0.40 0.00 -0.26 0.00 0.00 57.72 57.21 3bsm n HIS 309 Cb 0.69 -1.18 -0.06 0.00 1.12 0.00 0.00 29.99 30.56 3bsm n HIS 309 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 3bsm s VAL 310 N -1.54 4.44 0.30 1.59 1.01 -0.61 -4.94 120.40 120.65 3bsm s VAL 310 Ca 0.00 1.72 0.10 0.00 0.00 0.00 0.00 61.98 63.79 3bsm s VAL 310 Cb 0.00 -4.15 -0.05 0.00 0.00 0.00 0.00 36.38 32.18 3bsm s VAL 310 CO 0.00 0.48 -0.00 -0.13 0.00 0.00 0.00 175.10 175.44 3bsm s ARG 311 N -0.85 2.17 0.32 2.72 0.52 -0.10 -3.84 118.95 119.89 3bsm s ARG 311 Ca 0.37 -1.57 -0.27 0.00 -0.52 0.00 0.00 55.73 53.74 3bsm s ARG 311 Cb -0.23 -2.05 -0.09 0.00 0.52 0.00 0.00 34.95 33.10 3bsm s ARG 311 CO 0.26 0.26 1.01 0.95 0.02 0.00 0.00 175.30 177.81 3bsm s THR 312 N -2.41 3.85 -0.39 0.02 -4.23 -0.41 -1.32 115.64 110.75 3bsm s THR 312 Ca 0.33 1.64 0.11 0.00 -1.18 0.00 0.00 61.69 62.59 3bsm s THR 312 Cb -0.04 -3.96 0.36 0.00 1.34 0.00 0.00 72.50 70.20 3bsm s THR 312 CO 0.20 0.22 0.95 0.61 -0.54 0.00 0.00 174.62 176.06 3bsm n GLY 313 N 0.83 2.13 3.57 3.99 0.00 -0.29 -0.93 105.19 114.49 3bsm n GLY 313 Ca 0.01 -0.95 -0.59 0.00 0.00 0.00 0.00 46.02 44.50 3bsm n GLY 313 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3bsm n PHE 314 N 0.15 1.06 -2.19 1.61 0.99 -1.23 -4.25 117.46 113.59 3bsm n PHE 314 Ca 0.14 0.97 -0.42 0.00 -0.00 0.00 0.00 57.45 58.14 3bsm n PHE 314 Cb 0.72 -2.18 -0.03 0.00 -1.00 0.00 0.00 39.48 36.99 3bsm n PHE 314 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.76 175.18 3bsm s HIS 315 N 0.77 3.01 -0.45 1.38 5.65 -0.57 -3.07 115.29 122.01 3bsm s HIS 315 Ca 0.93 0.86 0.09 0.00 0.25 0.00 0.00 55.06 57.19 3bsm s HIS 315 Cb -1.24 -3.68 0.31 0.00 -1.18 0.00 0.00 32.58 26.79 3bsm s HIS 315 CO 0.60 -2.45 0.72 0.41 -0.65 0.00 0.00 174.74 173.36 3bsm n GLY 316 N 3.59 3.93 3.65 1.59 0.00 -1.26 -4.68 105.19 112.00 3bsm n GLY 316 Ca 0.12 -1.99 -0.28 0.00 0.00 0.00 0.00 46.02 43.87 3bsm n GLY 316 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3bsm n PRO 317 N 0.55 -1.65 0.17 1.61 -0.04 -1.26 -3.29 135.00 131.08 3bsm n PRO 317 Ca 0.26 -1.92 0.04 0.00 -0.04 0.00 0.00 63.50 61.84 3bsm n PRO 317 Cb 0.55 -1.38 0.23 0.00 -0.04 0.00 0.00 33.50 32.85 3bsm n PRO 317 CO 0.00 0.00 0.00 1.79 -0.04 0.00 0.00 175.50 177.25 3bsm h THR 318 N -1.95 0.89 0.00 0.52 1.35 -1.92 -3.08 112.91 108.71 3bsm h THR 318 Ca -0.41 -1.80 0.00 0.00 -0.55 0.00 0.00 66.41 63.65 3bsm h THR 318 Cb 1.16 2.11 0.00 0.00 -1.73 0.00 0.00 68.15 69.69 3bsm h THR 318 CO 0.29 0.42 0.00 -0.90 -0.25 0.00 0.00 175.52 175.08 3bsm n ASP 319 N -3.42 0.00 -4.21 5.36 5.75 -1.26 -4.25 116.55 114.53 3bsm n ASP 319 Ca 0.00 -0.97 -0.35 0.00 -0.01 0.00 0.00 54.79 53.46 3bsm n ASP 319 Cb 0.59 0.00 -0.14 0.00 -1.03 0.00 0.00 41.12 40.55 3bsm n ASP 319 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 3bsm s LEU 320 N -1.27 3.64 1.04 -2.12 1.02 -1.17 -4.66 118.68 115.16 3bsm s LEU 320 Ca 0.07 -1.04 -0.11 0.00 0.02 0.00 0.00 54.13 53.07 3bsm s LEU 320 Cb 0.03 -1.72 0.21 0.00 0.02 0.00 0.00 46.19 44.74 3bsm s LEU 320 CO 0.06 -0.20 1.09 -0.94 0.02 0.00 0.00 176.35 176.37 3bsm s SER 321 N 1.32 1.92 0.65 2.29 1.04 -1.26 -4.70 113.70 114.96 3bsm s SER 321 Ca -0.02 1.91 0.40 0.00 0.48 0.00 0.00 55.95 58.72 3bsm s SER 321 Cb -0.18 -2.47 2.19 0.00 0.10 0.00 0.00 66.02 65.66 3bsm s SER 321 CO -0.02 -3.68 2.23 -0.65 0.98 0.00 0.00 173.24 172.10 3bsm h PRO 322 N -2.27 0.00 0.23 4.02 0.11 -1.92 -0.45 132.00 131.72 3bsm h PRO 322 Ca -0.52 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.58 3bsm h PRO 322 Cb 1.30 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.41 3bsm h PRO 322 CO 0.45 0.00 -0.11 0.28 -0.21 0.00 0.00 178.00 178.41 3bsm h VAL 323 N 0.00 0.84 -0.76 3.15 2.07 -1.92 0.12 116.25 119.76 3bsm h VAL 323 Ca 0.00 -0.48 0.00 0.00 0.82 0.00 0.00 66.70 67.05 3bsm h VAL 323 Cb 0.15 1.12 -0.04 0.00 -1.52 0.00 0.00 31.29 31.00 3bsm h VAL 323 CO 0.00 0.10 0.48 0.00 0.02 0.00 0.00 177.57 178.17 3bsm h LEU 325 N 1.03 0.85 -0.35 0.00 5.85 -1.17 0.27 115.31 121.79 3bsm h LEU 325 Ca 0.27 -0.05 -0.03 0.00 0.84 0.00 0.00 57.88 58.92 3bsm h LEU 325 Cb -0.08 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 40.73 3bsm h LEU 325 CO -0.06 0.65 0.11 1.23 -0.34 0.00 0.00 178.44 180.03 3bsm h GLY 326 N 0.97 0.59 1.33 3.75 0.00 -0.35 0.01 103.07 109.39 3bsm h GLY 326 Ca 0.26 -0.35 -0.06 0.00 0.00 0.00 0.00 47.33 47.17 3bsm h GLY 326 CO -0.05 0.33 0.09 0.00 0.00 0.00 0.00 176.54 176.91 3bsm h ALA 327 N 0.95 1.17 -0.71 3.60 0.00 -1.01 -2.24 119.26 121.01 3bsm h ALA 327 Ca 0.11 -0.23 -0.07 0.00 0.00 0.00 0.00 54.91 54.73 3bsm h ALA 327 Cb 0.26 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 3bsm h ALA 327 CO -0.00 0.56 0.18 0.00 0.00 0.00 0.00 179.25 179.98 3bsm h ALA 328 N 1.31 0.97 -0.56 0.00 0.00 -0.01 -0.83 119.26 120.14 3bsm h ALA 328 Ca 0.17 -0.25 -0.09 0.00 0.00 0.00 0.00 54.91 54.74 3bsm h ALA 328 Cb 0.35 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 3bsm h ALA 328 CO 0.01 0.67 -0.02 0.82 0.00 0.00 0.00 179.25 180.72 3bsm h ILE 329 N 1.08 1.26 -0.24 0.00 2.04 -0.62 0.25 117.51 121.28 3bsm h ILE 329 Ca 0.22 -1.14 -0.02 0.00 1.00 0.00 0.00 64.86 64.92 3bsm h ILE 329 Cb 0.37 0.85 -0.01 0.00 -0.74 0.00 0.00 36.82 37.29 3bsm h ILE 329 CO 0.00 0.41 0.06 0.45 0.00 0.00 0.00 178.15 179.07 3bsm h HIS 330 N 0.90 0.41 -0.18 1.37 3.86 -1.08 -0.61 115.15 119.81 3bsm h HIS 330 Ca 0.16 -0.05 0.02 0.00 -1.16 0.00 0.00 60.37 59.34 3bsm h HIS 330 Cb 0.56 -0.12 -0.02 0.00 1.06 0.00 0.00 27.41 28.89 3bsm h HIS 330 CO 0.04 0.47 0.05 0.35 0.86 0.00 0.00 177.93 179.70 3bsm h PHE 331 N 0.22 0.08 -0.40 2.45 3.57 -0.85 -1.97 116.94 120.05 3bsm h PHE 331 Ca 0.08 0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.63 3bsm h PHE 331 Cb 0.27 -0.01 -0.02 0.00 2.79 0.00 0.00 35.95 38.98 3bsm h PHE 331 CO 0.01 0.04 0.27 -0.44 -2.23 0.00 0.00 178.31 175.95 3bsm h ASP 332 N 0.13 0.32 0.24 0.41 3.32 -0.33 0.52 116.42 121.03 3bsm h ASP 332 Ca 0.08 -0.00 -0.13 0.00 0.02 0.00 0.00 57.03 57.00 3bsm h ASP 332 Cb 0.06 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 39.53 3bsm h ASP 332 CO -0.10 0.22 -0.49 0.74 -1.72 0.00 0.00 179.24 177.89 3bsm h THR 333 N 0.37 1.34 0.00 0.35 2.02 -0.35 -3.36 112.91 113.28 3bsm h THR 333 Ca 0.17 -1.71 -0.20 0.00 0.77 0.00 0.00 66.41 65.43 3bsm h THR 333 Cb 0.19 1.79 -0.03 0.00 -1.74 0.00 0.00 68.15 68.36 3bsm h THR 333 CO -0.04 0.51 -1.23 1.87 0.37 0.00 0.00 175.52 177.00 3bsm n TRP 334 N -3.97 0.87 -1.70 3.16 -0.00 -0.84 -0.36 117.44 114.60 3bsm n TRP 334 Ca -0.02 0.38 -0.62 0.00 -0.00 0.00 0.00 57.50 57.24 3bsm n TRP 334 Cb 0.54 -1.01 -0.08 0.00 -0.00 0.00 0.00 31.31 30.76 3bsm n TRP 334 CO 0.00 0.00 0.00 1.55 -0.00 0.00 0.00 177.69 179.24 3bsm n VAL 335 N -4.45 0.12 -0.26 5.87 3.14 0.12 -4.24 118.33 118.62 3bsm n VAL 335 Ca -0.29 -0.02 -0.06 0.00 -2.96 0.00 0.00 64.34 61.01 3bsm n VAL 335 Cb 0.61 -0.76 0.05 0.00 -1.06 0.00 0.00 33.84 32.68 3bsm n VAL 335 CO 0.00 0.00 0.00 1.55 -6.46 0.00 0.00 176.83 171.92 3bsm h PRO 336 N 5.66 1.01 -2.36 1.45 0.13 -1.91 -3.20 132.00 132.76 3bsm h PRO 336 Ca -0.46 -0.13 -0.72 0.00 -0.87 0.00 0.00 66.00 63.82 3bsm h PRO 336 Cb 1.35 -0.19 -0.18 0.00 0.13 0.00 0.00 31.00 32.11 3bsm h PRO 336 CO 0.93 0.77 1.59 0.27 -0.23 0.00 0.00 178.00 181.33 3bsm n ASN 337 N -4.46 7.56 -4.74 1.44 6.94 -1.26 -4.97 115.26 115.77 3bsm n ASN 337 Ca 0.06 -3.36 -0.41 0.00 -0.02 0.00 0.00 54.58 50.85 3bsm n ASN 337 Cb 0.10 -1.26 -0.04 0.00 -2.36 0.00 0.00 39.78 36.22 3bsm n ASN 337 CO 0.00 0.00 0.00 0.12 -1.03 0.00 0.00 177.26 176.35 3bsm s PHE 338 N -2.37 3.67 -0.03 -2.53 5.36 -1.21 -1.29 117.98 119.58 3bsm s PHE 338 Ca 0.51 1.69 -0.04 0.00 -0.96 0.00 0.00 56.93 58.12 3bsm s PHE 338 Cb 0.24 -3.21 -0.01 0.00 -0.34 0.00 0.00 43.02 39.70 3bsm s PHE 338 CO -0.15 -0.35 -0.08 0.41 -1.46 0.00 0.00 175.22 173.58 3bsm n GLY 339 N 1.84 -0.29 3.55 13.12 0.00 -0.10 -4.67 105.19 118.63 3bsm n GLY 339 Ca 0.01 -0.08 -0.07 0.00 0.00 0.00 0.00 46.02 45.88 3bsm n GLY 339 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3bsm s ILE 340 N -1.61 0.00 -0.10 -0.61 2.07 -0.67 -4.93 121.20 115.35 3bsm s ILE 340 Ca -0.07 -0.11 0.03 0.00 -1.41 0.00 0.00 60.65 59.10 3bsm s ILE 340 Cb 0.01 -1.18 0.01 0.00 0.13 0.00 0.00 42.46 41.43 3bsm s ILE 340 CO 0.10 0.00 -0.21 -1.58 -1.91 0.00 0.00 174.94 171.34 3bsm s GLN 341 N -3.06 2.76 0.25 3.50 2.00 -0.60 -3.55 119.66 120.96 3bsm s GLN 341 Ca 0.07 -0.77 -0.30 0.00 -2.00 0.00 0.00 55.36 52.36 3bsm s GLN 341 Cb -0.01 -2.16 -0.09 0.00 0.80 0.00 0.00 33.01 31.55 3bsm s GLN 341 CO -0.07 0.09 1.08 -2.00 -0.50 0.00 0.00 175.29 173.89 3bsm s GLU 342 N 0.56 4.66 -0.21 1.67 2.12 -1.18 -2.32 118.70 124.00 3bsm s GLU 342 Ca -0.14 1.75 -0.02 0.00 0.36 0.00 0.00 54.97 56.92 3bsm s GLU 342 Cb -0.17 -3.22 0.06 0.00 0.26 0.00 0.00 34.13 31.06 3bsm s GLU 342 CO 0.05 0.22 0.01 -1.58 -0.54 0.00 0.00 175.26 173.41 3bsm s HIS 343 N -0.95 1.46 -0.44 5.30 5.65 -1.02 -4.36 115.29 120.94 3bsm s HIS 343 Ca 0.45 -1.16 0.04 0.00 0.25 0.00 0.00 55.06 54.64 3bsm s HIS 343 Cb -0.31 -1.22 0.12 0.00 -1.18 0.00 0.00 32.58 29.99 3bsm s HIS 343 CO 0.39 -0.67 0.17 -1.64 -0.65 0.00 0.00 174.74 172.34 3bsm s MET 344 N 1.71 1.65 0.18 2.88 -1.94 -1.21 -4.45 119.30 118.13 3bsm s MET 344 Ca -0.02 -2.21 -0.31 0.00 -1.71 0.00 0.00 55.69 51.44 3bsm s MET 344 Cb -0.18 -3.09 -0.16 0.00 2.01 0.00 0.00 34.83 33.41 3bsm s MET 344 CO -0.08 -1.05 0.88 -2.30 -0.01 0.00 0.00 175.02 172.46 3bsm n PRO 345 N 3.66 0.61 -2.03 2.03 -0.02 -1.26 -4.37 135.00 133.62 3bsm n PRO 345 Ca 0.05 0.22 -0.28 0.00 -2.02 0.00 0.00 63.50 61.46 3bsm n PRO 345 Cb 0.36 -1.51 0.06 0.00 -0.02 0.00 0.00 33.50 32.40 3bsm n PRO 345 CO 0.00 0.00 0.00 -1.01 1.98 0.00 0.00 175.50 176.47 3bsm s HIS 346 N -0.64 3.11 0.58 6.00 3.76 -1.26 -4.93 115.29 121.91 3bsm s HIS 346 Ca 0.69 0.77 -0.15 0.00 -0.15 0.00 0.00 55.06 56.22 3bsm s HIS 346 Cb -0.91 -3.18 -0.04 0.00 1.11 0.00 0.00 32.58 29.56 3bsm s HIS 346 CO 0.56 -1.36 1.04 0.95 -0.85 0.00 0.00 174.74 175.07 3bsm s THR 347 N -3.35 4.08 0.45 1.30 -4.23 -1.26 -4.86 115.64 107.76 3bsm s THR 347 Ca 0.59 0.93 0.15 0.00 -1.18 0.00 0.00 61.69 62.18 3bsm s THR 347 Cb -0.11 -3.50 0.33 0.00 1.34 0.00 0.00 72.50 70.56 3bsm s THR 347 CO 0.48 -0.63 1.99 0.44 -0.54 0.00 0.00 174.62 176.36 3bsm h ASP 348 N 0.40 0.32 -0.50 3.99 3.45 -1.97 -0.54 116.42 121.57 3bsm h ASP 348 Ca -0.46 0.01 -0.12 0.00 0.43 0.00 0.00 57.03 56.89 3bsm h ASP 348 Cb 1.21 -0.06 -0.02 0.00 -0.56 0.00 0.00 39.33 39.90 3bsm h ASP 348 CO 0.59 0.20 -0.13 -0.33 -1.57 0.00 0.00 179.24 177.99 3bsm h GLU 349 N 0.36 1.00 -0.06 3.56 3.07 -1.92 -0.55 114.58 120.03 3bsm h GLU 349 Ca 0.26 -0.38 -0.00 0.00 -0.50 0.00 0.00 59.36 58.74 3bsm h GLU 349 Cb 0.55 -0.06 -0.00 0.00 -0.84 0.00 0.00 28.75 28.40 3bsm h GLU 349 CO -0.07 1.06 0.03 1.15 -1.40 0.00 0.00 179.01 179.78 3bsm h THR 350 N 0.88 1.10 -0.10 1.13 2.02 -1.06 -1.25 112.91 115.63 3bsm h THR 350 Ca 0.13 -0.29 -0.02 0.00 0.77 0.00 0.00 66.41 67.00 3bsm h THR 350 Cb 0.70 1.18 -0.01 0.00 -1.74 0.00 0.00 68.15 68.28 3bsm h THR 350 CO 0.05 0.08 -0.04 0.44 0.37 0.00 0.00 175.52 176.43 3bsm h ASP 351 N -0.01 0.13 -0.02 4.18 3.32 -1.12 -1.28 116.42 121.62 3bsm h ASP 351 Ca 0.02 -0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.05 3bsm h ASP 351 Cb 0.11 -0.03 -0.00 0.00 0.22 0.00 0.00 39.33 39.62 3bsm h ASP 351 CO -0.00 0.20 -0.01 0.00 -1.72 0.00 0.00 179.24 177.71 3bsm h ALA 352 N 1.82 0.03 0.00 3.45 0.00 -0.68 -2.98 119.26 120.90 3bsm h ALA 352 Ca 0.03 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.73 3bsm h ALA 352 Cb 0.17 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.95 3bsm h ALA 352 CO 0.01 -0.27 -0.08 0.28 0.00 0.00 0.00 179.25 179.19 3bsm h VAL 353 N -0.32 1.04 -2.26 0.00 2.07 -0.83 -3.28 116.25 112.66 3bsm h VAL 353 Ca 0.01 -0.27 -0.61 0.00 0.82 0.00 0.00 66.70 66.64 3bsm h VAL 353 Cb 0.39 1.14 -0.41 0.00 -1.52 0.00 0.00 31.29 30.89 3bsm h VAL 353 CO 0.00 0.08 -0.50 0.49 0.02 0.00 0.00 177.57 177.66 3bsm n PHE 354 N -4.42 3.57 -1.64 1.57 3.72 -0.52 -0.55 117.46 119.19 3bsm n PHE 354 Ca -0.03 -4.06 -0.40 0.00 -0.05 0.00 0.00 57.45 52.91 3bsm n PHE 354 Cb 0.16 -0.61 0.02 0.00 -0.94 0.00 0.00 39.48 38.11 3bsm n PHE 354 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36 3bsm n PRO 355 N 0.90 1.43 -3.58 -1.08 -0.04 -1.17 -4.68 135.00 126.78 3bsm n PRO 355 Ca 0.29 0.52 -0.12 0.00 -0.04 0.00 0.00 63.50 64.15 3bsm n PRO 355 Cb 0.40 -2.17 -0.04 0.00 -0.04 0.00 0.00 33.50 31.65 3bsm n PRO 355 CO 0.00 0.00 0.00 -3.38 -0.04 0.00 0.00 175.50 172.08 3bsm s HIS 356 N -1.30 -0.32 -1.86 0.54 -3.43 -1.26 -1.35 115.29 106.31 3bsm s HIS 356 Ca 0.65 0.13 0.19 0.00 -0.80 0.00 0.00 55.06 55.24 3bsm s HIS 356 Cb -0.51 0.33 0.46 0.00 -1.43 0.00 0.00 32.58 31.43 3bsm s HIS 356 CO 0.55 -0.71 1.39 -0.40 -2.00 0.00 0.00 174.74 173.57 3bsm n ASP 357 N -0.06 3.44 -4.80 7.38 3.85 -0.75 -4.94 116.55 120.67 3bsm n ASP 357 Ca -0.17 -1.96 -0.36 0.00 -0.71 0.00 0.00 54.79 51.59 3bsm n ASP 357 Cb 0.63 -0.32 -0.06 0.00 -1.35 0.00 0.00 41.12 40.01 3bsm n ASP 357 CO 0.00 0.00 0.00 -0.72 -1.01 0.00 0.00 177.20 175.47 3bsm s TYR 358 N -1.15 3.61 0.06 2.11 -0.85 -1.26 -3.98 117.35 115.89 3bsm s TYR 358 Ca 0.38 1.57 0.04 0.00 -0.52 0.00 0.00 57.07 58.54 3bsm s TYR 358 Cb 0.21 -2.77 -0.03 0.00 0.38 0.00 0.00 41.96 39.75 3bsm s TYR 358 CO 0.28 0.21 -0.12 -0.98 -1.52 0.00 0.00 175.55 173.42 3bsm s ARG 359 N -2.22 0.74 -0.24 -3.49 1.70 -0.84 -4.95 118.95 109.64 3bsm s ARG 359 Ca 0.49 -0.91 -0.09 0.00 -0.47 0.00 0.00 55.73 54.75 3bsm s ARG 359 Cb -0.16 -0.65 -0.04 0.00 -0.57 0.00 0.00 34.95 33.52 3bsm s ARG 359 CO 0.21 0.14 0.13 0.12 -1.08 0.00 0.00 175.30 174.81 3bsm s PHE 360 N -1.37 3.22 -0.06 5.89 5.36 -1.26 -0.25 117.98 129.51 3bsm s PHE 360 Ca -0.04 0.01 -0.03 0.00 -0.96 0.00 0.00 56.93 55.92 3bsm s PHE 360 Cb -0.10 -2.25 0.04 0.00 -0.34 0.00 0.00 43.02 40.37 3bsm s PHE 360 CO 0.02 -0.08 0.12 -1.21 -1.46 0.00 0.00 175.22 172.61 3bsm s GLU 361 N 1.24 0.03 -1.36 10.12 2.02 0.10 -4.93 118.70 125.93 3bsm s GLU 361 Ca 0.06 0.41 -0.03 0.00 0.02 0.00 0.00 54.97 55.43 3bsm s GLU 361 Cb -0.14 -0.26 -0.00 0.00 0.10 0.00 0.00 34.13 33.83 3bsm s GLU 361 CO 0.05 -0.23 0.50 -3.47 0.02 0.00 0.00 175.26 172.13 3bsm n ASP 362 N 4.70 -1.09 0.00 -0.19 2.03 -1.26 -1.47 116.55 119.28 3bsm n ASP 362 Ca -0.17 -0.99 0.00 0.00 0.52 0.00 0.00 54.79 54.15 3bsm n ASP 362 Cb 0.51 -3.18 0.00 0.00 -0.72 0.00 0.00 41.12 37.73 3bsm n ASP 362 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3bsm n GLY 363 N -1.91 1.62 3.38 0.27 0.00 -1.24 -4.65 105.19 102.67 3bsm n GLY 363 Ca -0.28 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.54 3bsm n GLY 363 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3bsm s HIS 364 N -3.30 1.90 0.16 1.61 3.76 -0.54 -2.54 115.29 116.34 3bsm s HIS 364 Ca 0.00 -0.49 0.03 0.00 -0.15 0.00 0.00 55.06 54.45 3bsm s HIS 364 Cb 0.00 -0.87 -0.03 0.00 1.11 0.00 0.00 32.58 32.79 3bsm s HIS 364 CO 0.00 0.47 0.29 -0.06 -0.85 0.00 0.00 174.74 174.59 3bsm s PHE 365 N -2.75 3.48 -0.09 1.40 2.99 -0.61 0.01 117.98 122.42 3bsm s PHE 365 Ca 0.24 0.11 0.02 0.00 0.00 0.00 0.00 56.93 57.30 3bsm s PHE 365 Cb -0.02 -1.66 0.01 0.00 0.00 0.00 0.00 43.02 41.35 3bsm s PHE 365 CO 0.09 0.51 -0.13 -0.51 -0.00 0.00 0.00 175.22 175.18 3bsm s LEU 366 N -3.29 1.63 0.43 -0.37 2.01 0.66 -1.63 118.68 118.11 3bsm s LEU 366 Ca 0.35 -0.35 -0.24 0.00 0.01 0.00 0.00 54.13 53.89 3bsm s LEU 366 Cb -0.11 -0.93 -0.08 0.00 0.01 0.00 0.00 46.19 45.08 3bsm s LEU 366 CO 0.29 0.02 1.19 0.00 1.01 0.00 0.00 176.35 178.85 3bsm s ALA 367 N 0.87 3.09 0.88 4.21 0.00 -1.26 -1.98 121.76 127.58 3bsm s ALA 367 Ca -0.10 1.01 -0.11 0.00 0.00 0.00 0.00 51.96 52.75 3bsm s ALA 367 Cb -0.15 -3.40 0.12 0.00 0.00 0.00 0.00 23.12 19.69 3bsm s ALA 367 CO 0.01 -0.65 1.09 0.20 0.00 0.00 0.00 175.76 176.42 3bsm s GLY 368 N -1.15 1.62 0.00 0.00 0.00 -1.26 -4.86 107.32 101.68 3bsm s GLY 368 Ca 0.60 -0.02 0.08 0.00 0.00 0.00 0.00 44.72 45.38 3bsm s GLY 368 CO 0.39 0.46 0.95 1.18 0.00 0.00 0.00 173.10 176.08 3bsm n GLU 369 N -3.86 1.46 -2.81 2.90 -0.58 -1.26 -4.85 120.64 111.64 3bsm n GLU 369 Ca 0.07 -1.41 -0.37 0.00 -0.42 0.00 0.00 57.16 55.03 3bsm n GLU 369 Cb 0.55 -1.17 -0.06 0.00 -0.57 0.00 0.00 31.44 30.19 3bsm n GLU 369 CO 0.00 0.00 0.00 -1.12 -0.48 0.00 0.00 177.13 175.53 3bsm s SER 370 N -0.82 7.37 0.39 1.62 0.01 -1.26 -4.35 113.70 116.66 3bsm s SER 370 Ca 0.12 1.81 -0.26 0.00 1.31 0.00 0.00 55.95 58.94 3bsm s SER 370 Cb 0.07 -2.57 -0.11 0.00 0.21 0.00 0.00 66.02 63.62 3bsm s SER 370 CO 0.10 -0.01 1.11 -2.65 0.41 0.00 0.00 173.24 172.20 3bsm n PRO 371 N 0.75 1.60 0.00 12.44 -0.02 -1.26 -3.88 135.00 144.64 3bsm n PRO 371 Ca 0.01 0.57 0.00 0.00 -2.02 0.00 0.00 63.50 62.06 3bsm n PRO 371 Cb 0.50 -2.14 0.00 0.00 -0.02 0.00 0.00 33.50 31.84 3bsm n PRO 371 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3bsm n GLY 372 N 1.04 -1.81 0.20 -1.23 0.00 -0.80 -4.13 105.19 98.46 3bsm n GLY 372 Ca 0.08 -1.78 0.14 0.00 0.00 0.00 0.00 46.02 44.46 3bsm n GLY 372 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 3bsm n HIS 373 N 0.00 0.01 -0.99 1.61 1.44 -1.26 -0.92 115.22 115.11 3bsm n HIS 373 Ca 0.00 -0.01 0.00 0.00 -2.01 0.00 0.00 57.72 55.70 3bsm n HIS 373 Cb 0.00 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.11 3bsm n HIS 373 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 3bsm n GLY 374 N 1.05 0.48 3.30 -1.39 0.00 -1.26 -4.53 105.19 102.84 3bsm n GLY 374 Ca 0.21 -0.17 -0.27 0.00 0.00 0.00 0.00 46.02 45.79 3bsm n GLY 374 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3bsm s VAL 375 N -2.00 1.88 0.25 1.61 1.01 -1.26 -1.81 120.40 120.08 3bsm s VAL 375 Ca 0.00 -1.38 0.02 0.00 0.00 0.00 0.00 61.98 60.62 3bsm s VAL 375 Cb 0.00 -1.64 -0.04 0.00 0.00 0.00 0.00 36.38 34.70 3bsm s VAL 375 CO 0.00 0.19 0.20 -0.62 0.00 0.00 0.00 175.10 174.87 3bsm s ASP 376 N -1.43 0.75 -0.09 3.32 -1.08 -0.45 -4.85 116.67 112.83 3bsm s ASP 376 Ca 0.09 -1.53 0.02 0.00 -0.52 0.00 0.00 52.55 50.61 3bsm s ASP 376 Cb -0.09 0.45 0.02 0.00 -1.46 0.00 0.00 42.92 41.83 3bsm s ASP 376 CO 0.03 -0.94 -0.12 -0.51 0.52 0.00 0.00 175.17 174.15 3bsm s ILE 377 N -3.87 1.23 -0.78 4.11 2.07 -1.26 -3.18 121.20 119.52 3bsm s ILE 377 Ca 0.39 -0.50 -0.24 0.00 -1.41 0.00 0.00 60.65 58.90 3bsm s ILE 377 Cb 0.05 -1.14 0.06 0.00 0.13 0.00 0.00 42.46 41.56 3bsm s ILE 377 CO 0.18 0.38 1.17 -0.62 -1.91 0.00 0.00 174.94 174.15 3bsm s ASP 378 N 0.95 6.28 0.31 4.50 -1.08 0.29 -4.89 116.67 123.04 3bsm s ASP 378 Ca -0.09 -1.00 0.01 0.00 -0.52 0.00 0.00 52.55 50.95 3bsm s ASP 378 Cb -0.15 -2.49 0.54 0.00 -1.46 0.00 0.00 42.92 39.36 3bsm s ASP 378 CO -0.00 -1.55 1.95 -0.33 0.52 0.00 0.00 175.17 175.76 3bsm h GLU 379 N 9.68 0.97 0.40 4.34 5.08 -1.98 0.66 114.58 133.74 3bsm h GLU 379 Ca -0.15 -0.06 -0.02 0.00 -1.00 0.00 0.00 59.36 58.13 3bsm h GLU 379 Cb 1.05 -0.22 0.00 0.00 0.50 0.00 0.00 28.75 30.08 3bsm h GLU 379 CO 1.25 0.65 -0.19 1.49 -1.00 0.00 0.00 179.01 181.20 3bsm h GLU 380 N 1.00 -0.52 -0.88 2.33 4.81 -1.99 -1.23 114.58 118.11 3bsm h GLU 380 Ca 0.33 0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.60 3bsm h GLU 380 Cb 0.05 0.12 -0.04 0.00 0.63 0.00 0.00 28.75 29.51 3bsm h GLU 380 CO -0.10 -0.26 0.57 1.25 -0.73 0.00 0.00 179.01 179.74 3bsm h LEU 381 N -0.70 1.02 -1.39 1.64 5.85 -1.93 -1.75 115.31 118.06 3bsm h LEU 381 Ca -0.06 -0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.63 3bsm h LEU 381 Cb 0.50 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 41.24 3bsm h LEU 381 CO 0.09 0.75 0.36 0.00 -0.34 0.00 0.00 178.44 179.31 3bsm h ALA 382 N 1.43 1.55 0.00 1.25 0.00 -0.68 -1.35 119.26 121.45 3bsm h ALA 382 Ca 0.32 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.15 3bsm h ALA 382 Cb -0.11 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.44 3bsm h ALA 382 CO -0.07 0.40 -0.09 0.00 0.00 0.00 0.00 179.25 179.49 3bsm h ALA 383 N 1.61 1.35 0.00 0.00 0.00 -0.28 -1.76 119.26 120.18 3bsm h ALA 383 Ca 0.21 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.03 3bsm h ALA 383 Cb -0.06 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.72 3bsm h ALA 383 CO -0.04 0.12 0.00 1.63 0.00 0.00 0.00 179.25 180.96 3bsm n LYS 384 N -3.71 0.72 -3.65 0.00 5.02 -0.51 -4.18 118.16 111.86 3bsm n LYS 384 Ca -0.02 0.01 -0.28 0.00 -2.02 0.00 0.00 58.31 56.00 3bsm n LYS 384 Cb 0.20 -1.50 -0.11 0.00 -0.02 0.00 0.00 35.03 33.60 3bsm n LYS 384 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 3bsm s TYR 385 N -2.16 2.21 0.66 2.13 2.02 -0.66 -5.04 117.35 116.50 3bsm s TYR 385 Ca 0.37 -2.73 -0.16 0.00 -0.37 0.00 0.00 57.07 54.18 3bsm s TYR 385 Cb 0.19 -1.79 -0.00 0.00 -0.40 0.00 0.00 41.96 39.96 3bsm s TYR 385 CO 0.34 -0.71 1.16 -1.25 -1.57 0.00 0.00 175.55 173.52 3bsm s PRO 386 N -0.46 2.69 0.53 -1.71 0.04 -1.26 0.12 135.00 134.95 3bsm s PRO 386 Ca 0.27 1.61 -0.21 0.00 0.04 0.00 0.00 61.00 62.71 3bsm s PRO 386 Cb -0.05 -1.92 -0.07 0.00 0.04 0.00 0.00 34.50 32.50 3bsm s PRO 386 CO -0.15 -1.38 0.98 0.98 0.04 0.00 0.00 177.00 177.47 3bsm n TYR 387 N -2.23 0.95 -0.57 0.56 9.36 -1.26 -4.14 117.16 119.83 3bsm n TYR 387 Ca 0.12 0.48 0.00 0.00 3.32 0.00 0.00 57.90 61.82 3bsm n TYR 387 Cb 0.51 -2.18 0.00 0.00 -0.63 0.00 0.00 39.34 37.04 3bsm n TYR 387 CO 0.00 0.00 0.00 0.39 0.22 0.00 0.00 176.86 177.47