#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bm8 n ASP 3 N 0.00 2.79 0.04 6.41 5.75 -1.26 -4.04 116.55 126.24 2bm8 n ASP 3 Ca 0.00 -1.90 -0.08 0.00 -0.01 0.00 0.00 54.79 52.80 2bm8 n ASP 3 Cb 0.00 -0.09 -0.13 0.00 -1.03 0.00 0.00 41.12 39.87 2bm8 n ASP 3 CO 0.00 0.00 0.00 0.10 -0.11 0.00 0.00 177.20 177.19 2bm8 h TYR 4 N 4.04 0.05 0.00 2.11 -0.00 -2.06 -3.22 116.97 117.89 2bm8 h TYR 4 Ca 0.00 -0.03 -0.09 0.00 0.00 0.00 0.00 58.73 58.60 2bm8 h TYR 4 Cb 0.87 -0.00 -0.01 0.00 0.00 0.00 0.00 36.73 37.59 2bm8 h TYR 4 CO 0.09 1.03 -0.45 0.66 -0.00 0.00 0.00 178.16 179.49 2bm8 h SER 5 N 0.01 0.00 0.51 0.10 4.64 -2.06 -3.19 113.55 113.56 2bm8 h SER 5 Ca -0.10 0.00 -0.29 0.00 -0.47 0.00 0.00 61.79 60.92 2bm8 h SER 5 Cb 1.86 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.92 2bm8 h SER 5 CO 0.12 0.45 -1.57 0.03 -0.87 0.00 0.00 176.83 174.99 2bm8 h ARG 6 N 0.00 0.12 -7.11 4.77 3.08 -1.76 -3.47 114.38 110.01 2bm8 h ARG 6 Ca -0.00 -0.21 -0.51 0.00 0.07 0.00 0.00 59.98 59.33 2bm8 h ARG 6 Cb 1.17 0.08 0.09 0.00 0.08 0.00 0.00 29.97 31.39 2bm8 h ARG 6 CO 0.06 0.88 0.43 -1.14 -1.07 0.00 0.00 179.97 179.13 2bm8 s GLN 7 N -2.62 3.13 -0.06 0.04 0.74 -1.20 -5.07 119.66 114.62 2bm8 s GLN 7 Ca -0.08 1.63 0.05 0.00 0.05 0.00 0.00 55.36 57.02 2bm8 s GLN 7 Cb 0.08 -1.97 -0.00 0.00 1.10 0.00 0.00 33.01 32.21 2bm8 s GLN 7 CO 0.83 -1.04 -0.21 1.21 -0.55 0.00 0.00 175.29 175.53 2bm8 s ASN 8 N -1.87 2.63 -0.28 6.67 3.04 -1.26 -4.95 114.94 118.92 2bm8 s ASN 8 Ca 0.73 -0.44 -0.10 0.00 0.04 0.00 0.00 52.86 53.09 2bm8 s ASN 8 Cb -0.25 -0.82 -0.03 0.00 -1.54 0.00 0.00 41.25 38.61 2bm8 s ASN 8 CO 0.31 0.18 0.14 -0.36 -3.04 0.00 0.00 177.10 174.34 2bm8 s PHE 9 N 0.03 3.16 0.49 0.43 0.40 -1.26 -5.07 117.98 116.17 2bm8 s PHE 9 Ca -0.06 -0.21 -0.24 0.00 -0.60 0.00 0.00 56.93 55.82 2bm8 s PHE 9 Cb -0.14 -2.33 -0.07 0.00 0.51 0.00 0.00 43.02 41.00 2bm8 s PHE 9 CO 0.04 -0.29 1.41 -0.65 0.70 0.00 0.00 175.22 176.43 2bm8 s GLN 10 N 1.68 3.46 -0.10 0.44 -0.21 -1.26 -4.96 119.66 118.71 2bm8 s GLN 10 Ca 0.06 2.38 -0.30 0.00 0.02 0.00 0.00 55.36 57.52 2bm8 s GLN 10 Cb -0.16 -2.50 -0.04 0.00 1.00 0.00 0.00 33.01 31.31 2bm8 s GLN 10 CO 0.08 -0.99 1.49 0.34 -2.12 0.00 0.00 175.29 174.09 2bm8 s ASP 11 N -0.65 6.78 0.22 5.90 2.15 -1.26 -4.90 116.67 124.91 2bm8 s ASP 11 Ca 0.65 2.02 0.25 0.00 0.43 0.00 0.00 52.55 55.90 2bm8 s ASP 11 Cb -0.43 -2.54 0.89 0.00 -0.30 0.00 0.00 42.92 40.54 2bm8 s ASP 11 CO 0.54 -0.86 1.75 0.18 -0.17 0.00 0.00 175.17 176.61 2bm8 n LEU 12 N 6.88 0.73 0.21 -1.34 4.32 -1.26 -3.19 117.00 123.35 2bm8 n LEU 12 Ca 0.16 0.61 0.05 0.00 -0.02 0.00 0.00 56.01 56.81 2bm8 n LEU 12 Cb 0.44 -0.43 0.52 0.00 -1.62 0.00 0.00 43.42 42.32 2bm8 n LEU 12 CO 0.60 -0.33 0.95 0.78 -1.22 0.00 0.00 177.39 178.17 2bm8 h ASN 13 N 0.00 0.06 -0.74 -1.43 2.35 -2.01 -2.83 115.58 110.98 2bm8 h ASN 13 Ca 0.00 -0.01 0.14 0.00 -0.55 0.00 0.00 56.30 55.88 2bm8 h ASN 13 Cb 0.58 -0.01 -0.05 0.00 0.05 0.00 0.00 38.32 38.88 2bm8 h ASN 13 CO 0.00 0.18 0.49 -0.07 -1.65 0.00 0.00 177.43 176.38 2bm8 h LEU 14 N 0.06 0.41 -0.81 1.61 4.07 -1.97 -1.85 115.31 116.84 2bm8 h LEU 14 Ca 0.01 0.02 0.00 0.00 0.08 0.00 0.00 57.88 57.99 2bm8 h LEU 14 Cb 0.23 -0.06 0.00 0.00 1.08 0.00 0.00 40.66 41.91 2bm8 h LEU 14 CO 0.01 0.22 0.00 0.49 -1.08 0.00 0.00 178.44 178.09 2bm8 n PHE 15 N -4.48 0.28 -2.34 1.13 0.99 -1.07 -4.83 117.46 107.14 2bm8 n PHE 15 Ca 0.14 -0.12 -0.42 0.00 -0.00 0.00 0.00 57.45 57.04 2bm8 n PHE 15 Cb 0.49 -0.04 -0.03 0.00 -1.00 0.00 0.00 39.48 38.91 2bm8 n PHE 15 CO 0.00 0.00 0.00 0.50 -0.00 0.00 0.00 176.76 177.26 2bm8 s ARG 16 N -1.70 4.27 0.00 -1.08 3.52 -0.70 -1.78 118.95 121.48 2bm8 s ARG 16 Ca 0.12 1.80 0.00 0.00 -0.13 0.00 0.00 55.73 57.52 2bm8 s ARG 16 Cb 0.07 -3.69 0.00 0.00 -1.56 0.00 0.00 34.95 29.77 2bm8 s ARG 16 CO 0.07 -0.62 0.00 0.41 -0.81 0.00 0.00 175.30 174.35 2bm8 n GLY 17 N 3.61 2.75 0.33 8.12 0.00 -1.26 -4.81 105.19 113.94 2bm8 n GLY 17 Ca 0.13 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.02 2bm8 n GLY 17 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2bm8 n LEU 18 N 0.00 1.91 0.00 0.99 4.77 -0.90 -5.09 117.00 118.68 2bm8 n LEU 18 Ca 0.00 0.07 0.00 0.00 -0.03 0.00 0.00 56.01 56.05 2bm8 n LEU 18 Cb 0.00 -0.46 0.00 0.00 -2.33 0.00 0.00 43.42 40.63 2bm8 n LEU 18 CO 0.00 0.50 0.00 0.61 -1.33 0.00 0.00 177.39 177.17 2bm8 n GLY 19 N 2.41 -3.63 0.07 -0.72 0.00 -0.73 -4.84 105.19 97.76 2bm8 n GLY 19 Ca -0.27 -2.15 -0.09 0.00 0.00 0.00 0.00 46.02 43.51 2bm8 n GLY 19 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2bm8 h GLU 20 N 1.26 0.06 -3.70 1.61 5.08 -1.99 -3.42 114.58 113.49 2bm8 h GLU 20 Ca 0.00 -0.11 -0.38 0.00 -1.00 0.00 0.00 59.36 57.87 2bm8 h GLU 20 Cb 0.00 0.04 -0.36 0.00 0.50 0.00 0.00 28.75 28.93 2bm8 h GLU 20 CO 0.00 0.99 -0.75 0.34 -1.00 0.00 0.00 179.01 178.59 2bm8 s ASP 21 N -6.74 0.85 0.36 1.42 -1.08 -1.26 -5.04 116.67 105.19 2bm8 s ASP 21 Ca -0.01 -0.04 0.04 0.00 -0.52 0.00 0.00 52.55 52.02 2bm8 s ASP 21 Cb 0.09 -0.29 0.69 0.00 -1.46 0.00 0.00 42.92 41.95 2bm8 s ASP 21 CO 0.83 -0.14 2.00 1.55 0.52 0.00 0.00 175.17 179.94 2bm8 h PRO 22 N 7.66 0.70 -7.09 4.34 0.13 -1.89 -3.44 132.00 132.41 2bm8 h PRO 22 Ca -0.33 -0.06 -0.52 0.00 -0.87 0.00 0.00 66.00 64.22 2bm8 h PRO 22 Cb 1.13 -0.15 0.10 0.00 0.13 0.00 0.00 31.00 32.21 2bm8 h PRO 22 CO 0.38 0.50 0.46 0.00 -0.23 0.00 0.00 178.00 179.12 2bm8 s ALA 23 N -5.53 2.60 0.24 -0.56 0.00 -1.26 -4.39 121.76 112.86 2bm8 s ALA 23 Ca -0.09 0.96 -0.30 0.00 0.00 0.00 0.00 51.96 52.54 2bm8 s ALA 23 Cb 0.17 -3.43 -0.09 0.00 0.00 0.00 0.00 23.12 19.78 2bm8 s ALA 23 CO 0.76 -1.05 1.12 -0.47 0.00 0.00 0.00 175.76 176.12 2bm8 s TYR 24 N -1.63 3.54 -0.23 0.00 5.04 -1.26 -4.88 117.35 117.92 2bm8 s TYR 24 Ca 0.76 1.62 -0.04 0.00 -2.44 0.00 0.00 57.07 56.97 2bm8 s TYR 24 Cb -0.29 -3.32 -0.01 0.00 0.35 0.00 0.00 41.96 38.70 2bm8 s TYR 24 CO 0.32 -0.71 -0.02 -1.01 -1.34 0.00 0.00 175.55 172.78 2bm8 s HIS 25 N -0.76 2.99 0.26 4.97 3.76 -1.26 -5.04 115.29 120.22 2bm8 s HIS 25 Ca 0.47 -0.90 -0.30 0.00 -0.15 0.00 0.00 55.06 54.18 2bm8 s HIS 25 Cb -0.32 -2.13 -0.11 0.00 1.11 0.00 0.00 32.58 31.14 2bm8 s HIS 25 CO 0.39 -0.53 1.55 -2.14 -0.85 0.00 0.00 174.74 173.16 2bm8 s PRO 26 N 1.49 4.18 0.52 8.40 0.02 -1.26 -4.94 135.00 143.40 2bm8 s PRO 26 Ca 0.05 2.47 -0.22 0.00 0.02 0.00 0.00 61.00 63.33 2bm8 s PRO 26 Cb -0.15 -3.06 -0.06 0.00 0.02 0.00 0.00 34.50 31.25 2bm8 s PRO 26 CO -0.02 -0.57 1.25 -1.25 -0.33 0.00 0.00 177.00 176.08 2bm8 s PRO 27 N -0.24 3.37 -0.10 5.54 0.04 -1.26 -5.02 135.00 137.32 2bm8 s PRO 27 Ca 0.63 1.97 0.03 0.00 0.04 0.00 0.00 61.00 63.67 2bm8 s PRO 27 Cb -0.46 -2.26 -0.00 0.00 0.04 0.00 0.00 34.50 31.82 2bm8 s PRO 27 CO 0.44 -0.93 -0.22 0.08 0.04 0.00 0.00 177.00 176.42 2bm8 s VAL 28 N -1.46 2.27 -0.18 -0.36 1.01 -1.26 -5.10 120.40 115.33 2bm8 s VAL 28 Ca 0.69 -0.95 -0.24 0.00 0.00 0.00 0.00 61.98 61.49 2bm8 s VAL 28 Cb -0.34 -1.88 -0.02 0.00 0.00 0.00 0.00 36.38 34.14 2bm8 s VAL 28 CO 0.40 0.55 0.76 -0.76 0.00 0.00 0.00 175.10 176.05 2bm8 s LEU 29 N 0.30 4.16 -0.05 3.92 1.02 -1.26 -4.76 118.68 122.01 2bm8 s LEU 29 Ca -0.16 1.06 0.06 0.00 0.02 0.00 0.00 54.13 55.11 2bm8 s LEU 29 Cb -0.17 -3.12 -0.09 0.00 0.02 0.00 0.00 46.19 42.83 2bm8 s LEU 29 CO 0.08 -0.36 0.06 1.07 0.02 0.00 0.00 176.35 177.22 2bm8 n THR 30 N 4.73 0.30 -0.10 5.49 5.66 -1.26 -4.69 114.28 124.40 2bm8 n THR 30 Ca 0.02 -0.23 0.00 0.00 -3.05 0.00 0.00 64.05 60.79 2bm8 n THR 30 Cb 0.49 -0.46 0.00 0.00 -1.55 0.00 0.00 70.33 68.81 2bm8 n THR 30 CO 0.00 0.00 0.00 -0.90 -3.05 0.00 0.00 175.07 171.12 2bm8 n ASP 31 N -2.08 1.72 -3.98 1.09 5.75 -1.26 -5.03 116.55 112.77 2bm8 n ASP 31 Ca -0.07 -1.82 -0.09 0.00 -0.01 0.00 0.00 54.79 52.79 2bm8 n ASP 31 Cb 0.54 0.00 -0.08 0.00 -1.03 0.00 0.00 41.12 40.55 2bm8 n ASP 31 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 2bm8 s ARG 32 N -0.82 0.88 0.50 0.11 3.00 -1.26 -5.10 118.95 116.25 2bm8 s ARG 32 Ca 0.00 -1.14 -0.20 0.00 0.00 0.00 0.00 55.73 54.39 2bm8 s ARG 32 Cb 0.00 0.31 -0.08 0.00 0.00 0.00 0.00 34.95 35.18 2bm8 s ARG 32 CO 0.00 -0.27 1.07 -1.25 0.00 0.00 0.00 175.30 174.84 2bm8 s PRO 33 N -3.93 3.70 0.25 3.54 0.04 -1.26 -4.85 135.00 132.48 2bm8 s PRO 33 Ca 0.11 1.44 -0.03 0.00 0.04 0.00 0.00 61.00 62.56 2bm8 s PRO 33 Cb 0.06 -2.10 0.28 0.00 0.04 0.00 0.00 34.50 32.78 2bm8 s PRO 33 CO -0.06 -0.53 1.75 -0.09 0.04 0.00 0.00 177.00 178.11 2bm8 h ARG 34 N 1.52 0.88 -4.07 4.56 2.43 -2.01 -3.38 114.38 114.30 2bm8 h ARG 34 Ca -0.50 -0.23 -0.76 0.00 -0.81 0.00 0.00 59.98 57.68 2bm8 h ARG 34 Cb 1.23 -0.11 -0.24 0.00 -0.42 0.00 0.00 29.97 30.43 2bm8 h ARG 34 CO 0.59 0.85 -0.20 -0.51 -1.51 0.00 0.00 179.97 179.19 2bm8 s ASP 35 N -6.60 6.22 -0.14 -3.80 1.01 -1.26 -5.05 116.67 107.06 2bm8 s ASP 35 Ca -0.10 -1.87 -0.28 0.00 0.71 0.00 0.00 52.55 51.01 2bm8 s ASP 35 Cb 0.15 -2.20 -0.01 0.00 1.01 0.00 0.00 42.92 41.86 2bm8 s ASP 35 CO 0.82 -0.83 0.95 0.86 0.21 0.00 0.00 175.17 177.18 2bm8 s TRP 36 N 1.47 3.46 0.26 4.23 -0.11 -1.26 -5.02 118.94 121.98 2bm8 s TRP 36 Ca 0.04 1.46 -0.30 0.00 1.22 0.00 0.00 56.10 58.53 2bm8 s TRP 36 Cb -0.28 -3.14 -0.10 0.00 -1.50 0.00 0.00 33.47 28.45 2bm8 s TRP 36 CO 0.02 -0.25 1.41 -1.25 -4.62 0.00 0.00 176.95 172.26 2bm8 s PRO 37 N 2.18 4.28 0.38 5.86 0.04 -1.26 -4.91 135.00 141.56 2bm8 s PRO 37 Ca 0.44 2.28 0.20 0.00 0.04 0.00 0.00 61.00 63.96 2bm8 s PRO 37 Cb -0.17 -3.10 0.63 0.00 0.04 0.00 0.00 34.50 31.89 2bm8 s PRO 37 CO 0.15 -0.37 1.70 -0.07 0.04 0.00 0.00 177.00 178.44 2bm8 h LEU 38 N 4.73 0.00 -0.04 -3.56 4.07 -1.98 -2.39 115.31 116.14 2bm8 h LEU 38 Ca -0.46 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.50 2bm8 h LEU 38 Cb 1.22 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.96 2bm8 h LEU 38 CO 0.75 0.35 0.00 -0.90 -1.08 0.00 0.00 178.44 177.56 2bm8 n ASP 39 N -3.42 0.03 -0.48 -0.43 5.75 -1.26 -1.90 116.55 114.85 2bm8 n ASP 39 Ca 0.00 0.51 0.07 0.00 -0.01 0.00 0.00 54.79 55.36 2bm8 n ASP 39 Cb 0.53 -0.52 0.19 0.00 -1.03 0.00 0.00 41.12 40.30 2bm8 n ASP 39 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 2bm8 n ARG 40 N -1.54 1.50 -0.30 0.11 1.74 -0.91 -4.86 116.66 112.40 2bm8 n ARG 40 Ca 0.03 -3.12 0.08 0.00 -0.77 0.00 0.00 57.85 54.08 2bm8 n ARG 40 Cb 0.17 -1.57 0.24 0.00 -1.02 0.00 0.00 32.46 30.27 2bm8 n ARG 40 CO 0.00 0.00 0.00 2.35 -1.52 0.00 0.00 177.63 178.46 2bm8 h TRP 41 N 0.75 0.79 0.00 -1.55 7.01 -1.31 -2.26 115.95 119.38 2bm8 h TRP 41 Ca -0.00 0.03 -0.04 0.00 2.11 0.00 0.00 58.89 60.99 2bm8 h TRP 41 Cb 1.01 -0.22 -0.01 0.00 -2.10 0.00 0.00 29.16 27.84 2bm8 h TRP 41 CO 0.57 0.17 -0.19 0.00 -2.79 0.00 0.00 178.44 176.20 2bm8 h ALA 42 N 1.58 1.18 -0.01 2.65 0.00 -1.89 -2.81 119.26 119.96 2bm8 h ALA 42 Ca 0.48 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.21 2bm8 h ALA 42 Cb 0.70 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.46 2bm8 h ALA 42 CO -0.37 0.24 -0.29 0.39 0.00 0.00 0.00 179.25 179.22 2bm8 n GLU 43 N -3.58 0.78 -1.81 0.00 1.02 -0.85 -4.94 120.64 111.26 2bm8 n GLU 43 Ca -0.01 -0.47 -0.40 0.00 -0.02 0.00 0.00 57.16 56.27 2bm8 n GLU 43 Cb 0.34 -1.49 0.01 0.00 -0.02 0.00 0.00 31.44 30.28 2bm8 n GLU 43 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2bm8 s ALA 44 N -2.54 3.26 0.72 0.62 0.00 -1.06 -4.97 121.76 117.78 2bm8 s ALA 44 Ca 0.23 1.46 -0.12 0.00 0.00 0.00 0.00 51.96 53.53 2bm8 s ALA 44 Cb 0.19 -3.58 0.03 0.00 0.00 0.00 0.00 23.12 19.75 2bm8 s ALA 44 CO 0.54 -1.16 1.09 -1.25 0.00 0.00 0.00 175.76 174.97 2bm8 s PRO 45 N -2.42 2.61 -0.04 0.00 0.04 -1.26 -4.99 135.00 128.93 2bm8 s PRO 45 Ca 0.60 1.18 0.13 0.00 0.04 0.00 0.00 61.00 62.95 2bm8 s PRO 45 Cb -0.44 -1.94 -0.20 0.00 0.04 0.00 0.00 34.50 31.97 2bm8 s PRO 45 CO 0.56 -1.37 0.24 0.54 0.04 0.00 0.00 177.00 177.01 2bm8 n ARG 46 N -3.06 0.76 -1.57 4.56 5.12 -1.26 -4.99 116.66 116.21 2bm8 n ARG 46 Ca 0.09 -0.10 -0.31 0.00 -1.93 0.00 0.00 57.85 55.61 2bm8 n ARG 46 Cb 0.53 -1.32 0.06 0.00 -1.16 0.00 0.00 32.46 30.56 2bm8 n ARG 46 CO 0.00 0.00 0.00 0.16 -1.93 0.00 0.00 177.63 175.86 2bm8 s ASP 47 N -3.79 5.21 0.25 0.55 3.84 -1.26 -4.96 116.67 116.50 2bm8 s ASP 47 Ca -0.05 1.55 -0.13 0.00 -0.00 0.00 0.00 52.55 53.92 2bm8 s ASP 47 Cb 0.08 -2.40 0.33 0.00 -1.38 0.00 0.00 42.92 39.55 2bm8 s ASP 47 CO 0.55 -1.55 1.57 0.25 -0.00 0.00 0.00 175.17 176.00 2bm8 h LEU 48 N -0.79 -1.03 0.00 2.11 5.85 -2.01 -3.46 115.31 115.98 2bm8 h LEU 48 Ca -0.44 0.28 0.00 0.00 0.84 0.00 0.00 57.88 58.55 2bm8 h LEU 48 Cb 1.22 0.61 0.00 0.00 0.37 0.00 0.00 40.66 42.86 2bm8 h LEU 48 CO 0.57 -0.30 0.00 0.61 -0.34 0.00 0.00 178.44 178.99 2bm8 n GLY 49 N -1.54 0.53 3.69 3.75 0.00 -1.26 -5.05 105.19 105.32 2bm8 n GLY 49 Ca 0.12 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.03 2bm8 n GLY 49 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2bm8 s TYR 50 N -2.00 0.41 0.35 1.61 -0.85 -1.26 -4.50 117.35 111.11 2bm8 s TYR 50 Ca 0.00 -0.90 -0.28 0.00 -0.52 0.00 0.00 57.07 55.38 2bm8 s TYR 50 Cb 0.00 0.48 -0.10 0.00 0.38 0.00 0.00 41.96 42.72 2bm8 s TYR 50 CO 0.00 -1.35 1.26 0.45 -1.52 0.00 0.00 175.55 174.39 2bm8 s SER 51 N -3.10 6.70 -0.22 -0.18 0.15 -1.26 -4.94 113.70 110.84 2bm8 s SER 51 Ca 0.20 2.59 0.15 0.00 0.70 0.00 0.00 55.95 59.59 2bm8 s SER 51 Cb -0.03 -2.64 0.73 0.00 -1.71 0.00 0.00 66.02 62.37 2bm8 s SER 51 CO 0.14 -0.57 1.65 -0.90 1.20 0.00 0.00 173.24 174.75 2bm8 n ASP 52 N 0.60 5.13 0.00 5.45 5.68 -1.26 -4.66 116.55 127.49 2bm8 n ASP 52 Ca 0.01 -2.98 0.00 0.00 -0.50 0.00 0.00 54.79 51.33 2bm8 n ASP 52 Cb 0.43 -0.64 0.00 0.00 -1.14 0.00 0.00 41.12 39.77 2bm8 n ASP 52 CO 0.00 0.00 0.00 0.33 -1.33 0.00 0.00 177.20 176.20 2bm8 n PHE 53 N 0.23 0.00 -3.11 2.11 -0.00 -1.26 -4.49 117.46 110.94 2bm8 n PHE 53 Ca 0.26 0.00 -0.21 0.00 -0.00 0.00 0.00 57.45 57.50 2bm8 n PHE 53 Cb 1.11 -0.46 -0.04 0.00 -0.00 0.00 0.00 39.48 40.08 2bm8 n PHE 53 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.76 177.21 2bm8 n SER 54 N -2.00 -0.35 -1.52 -2.13 2.88 -1.26 -4.99 113.62 104.25 2bm8 n SER 54 Ca 0.00 -2.83 -0.10 0.00 -1.33 0.00 0.00 58.87 54.61 2bm8 n SER 54 Cb 0.00 -0.18 0.08 0.00 -0.75 0.00 0.00 64.21 63.36 2bm8 n SER 54 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 2bm8 n PRO 55 N 1.36 1.56 -4.07 -1.46 -0.04 -1.26 -4.86 135.00 126.23 2bm8 n PRO 55 Ca 0.19 -1.29 -0.33 0.00 -0.04 0.00 0.00 63.50 62.03 2bm8 n PRO 55 Cb 0.56 -1.51 -0.07 0.00 -0.04 0.00 0.00 33.50 32.44 2bm8 n PRO 55 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 2bm8 s TYR 56 N -1.42 3.30 0.12 0.54 1.51 -1.26 -5.03 117.35 115.12 2bm8 s TYR 56 Ca 0.24 0.20 -0.02 0.00 -1.01 0.00 0.00 57.07 56.49 2bm8 s TYR 56 Cb 0.21 -1.73 -0.04 0.00 -0.11 0.00 0.00 41.96 40.29 2bm8 s TYR 56 CO 0.05 0.56 0.08 1.14 -1.11 0.00 0.00 175.55 176.26 2bm8 s GLN 57 N -1.86 0.92 -0.13 -0.62 -2.07 -1.26 -0.45 119.66 114.19 2bm8 s GLN 57 Ca 0.24 -1.37 -0.04 0.00 -1.82 0.00 0.00 55.36 52.37 2bm8 s GLN 57 Cb -0.12 0.26 0.05 0.00 -1.09 0.00 0.00 33.01 32.11 2bm8 s GLN 57 CO 0.16 -0.26 0.10 -0.46 -1.32 0.00 0.00 175.29 173.50 2bm8 s TRP 58 N -4.02 0.10 -1.49 9.60 -0.11 0.65 -4.72 118.94 118.94 2bm8 s TRP 58 Ca 0.21 -0.07 -0.07 0.00 1.22 0.00 0.00 56.10 57.39 2bm8 s TRP 58 Cb 0.07 -0.58 0.06 0.00 -1.50 0.00 0.00 33.47 31.51 2bm8 s TRP 58 CO 0.00 -0.42 0.65 0.54 -4.62 0.00 0.00 176.95 173.10 2bm8 n ARG 59 N 5.29 -3.90 -0.59 5.86 1.74 -1.26 -1.97 116.66 121.83 2bm8 n ARG 59 Ca -0.06 0.46 0.00 0.00 -0.77 0.00 0.00 57.85 57.48 2bm8 n ARG 59 Cb 0.49 -4.94 0.00 0.00 -1.02 0.00 0.00 32.46 27.00 2bm8 n ARG 59 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2bm8 n GLY 60 N -1.73 0.78 3.48 -0.13 0.00 -1.26 -5.04 105.19 101.29 2bm8 n GLY 60 Ca -0.15 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.54 2bm8 n GLY 60 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2bm8 s LEU 61 N 0.00 2.82 0.30 0.99 1.43 -0.83 -4.36 118.68 119.02 2bm8 s LEU 61 Ca 0.00 -0.19 -0.30 0.00 -1.03 0.00 0.00 54.13 52.61 2bm8 s LEU 61 Cb 0.00 -1.59 -0.12 0.00 0.03 0.00 0.00 46.19 44.50 2bm8 s LEU 61 CO 0.00 0.31 1.44 0.54 0.23 0.00 0.00 176.35 178.87 2bm8 n ARG 62 N 2.55 2.34 -3.81 1.70 1.74 -1.26 -0.25 116.66 119.66 2bm8 n ARG 62 Ca -0.17 0.83 -0.36 0.00 -0.77 0.00 0.00 57.85 57.37 2bm8 n ARG 62 Cb 0.52 -2.51 -0.13 0.00 -1.02 0.00 0.00 32.46 29.32 2bm8 n ARG 62 CO 0.00 0.00 0.00 -1.64 -1.52 0.00 0.00 177.63 174.47 2bm8 s MET 63 N -1.02 3.25 0.33 5.56 -1.94 0.40 -4.12 119.30 121.77 2bm8 s MET 63 Ca 0.62 -0.74 0.21 0.00 -1.71 0.00 0.00 55.69 54.07 2bm8 s MET 63 Cb -0.56 -3.25 0.18 0.00 2.01 0.00 0.00 34.83 33.21 2bm8 s MET 63 CO 0.54 -0.33 1.40 -0.07 -0.01 0.00 0.00 175.02 176.55 2bm8 h LEU 64 N 8.19 0.00 -9.26 -0.03 3.38 -1.93 -3.37 115.31 112.29 2bm8 h LEU 64 Ca -0.35 0.00 -0.56 0.00 0.09 0.00 0.00 57.88 57.06 2bm8 h LEU 64 Cb 1.14 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.85 2bm8 h LEU 64 CO 0.60 0.13 0.43 -0.54 0.09 0.00 0.00 178.44 179.14 2bm8 s LYS 65 N -3.18 4.40 0.69 1.13 1.02 -1.26 -5.04 119.74 117.50 2bm8 s LYS 65 Ca 0.04 1.22 -0.09 0.00 0.02 0.00 0.00 55.97 57.16 2bm8 s LYS 65 Cb 0.07 -3.53 0.03 0.00 -0.52 0.00 0.00 37.83 33.88 2bm8 s LYS 65 CO 0.72 -0.24 1.04 0.16 -0.92 0.00 0.00 175.35 176.11 2bm8 s ASP 66 N 1.07 5.21 0.35 2.83 1.47 -1.26 -4.73 116.67 121.61 2bm8 s ASP 66 Ca 0.44 0.82 0.09 0.00 1.18 0.00 0.00 52.55 55.08 2bm8 s ASP 66 Cb -0.18 -1.60 0.81 0.00 -0.34 0.00 0.00 42.92 41.62 2bm8 s ASP 66 CO 0.18 -1.40 1.86 -0.65 0.68 0.00 0.00 175.17 175.84 2bm8 h PRO 67 N -0.57 0.68 -0.53 2.11 0.11 -1.97 0.25 132.00 132.07 2bm8 h PRO 67 Ca -0.45 -0.04 -0.07 0.00 0.11 0.00 0.00 66.00 65.55 2bm8 h PRO 67 Cb 1.28 -0.15 -0.02 0.00 0.11 0.00 0.00 31.00 32.22 2bm8 h PRO 67 CO 0.63 0.45 0.05 -0.44 -0.21 0.00 0.00 178.00 178.48 2bm8 h ASP 68 N 0.70 0.88 -0.74 -2.05 3.45 -1.94 -1.04 116.42 115.68 2bm8 h ASP 68 Ca 0.45 -0.28 -0.03 0.00 0.43 0.00 0.00 57.03 57.61 2bm8 h ASP 68 Cb 0.73 -0.23 -0.03 0.00 -0.56 0.00 0.00 39.33 39.23 2bm8 h ASP 68 CO -0.21 0.94 0.34 0.74 -1.57 0.00 0.00 179.24 179.48 2bm8 h THR 69 N 0.79 1.24 -0.48 0.35 2.02 -1.33 -2.54 112.91 112.97 2bm8 h THR 69 Ca 0.16 -0.70 -0.01 0.00 0.77 0.00 0.00 66.41 66.63 2bm8 h THR 69 Cb 0.46 0.33 -0.02 0.00 -1.74 0.00 0.00 68.15 67.17 2bm8 h THR 69 CO 0.02 0.29 0.27 1.56 0.37 0.00 0.00 175.52 178.02 2bm8 h GLN 70 N 1.04 0.65 -0.12 6.66 4.20 -0.89 -2.09 115.11 124.57 2bm8 h GLN 70 Ca 0.25 -0.06 -0.18 0.00 0.06 0.00 0.00 58.65 58.72 2bm8 h GLN 70 Cb 0.14 -0.14 -0.00 0.00 0.30 0.00 0.00 27.48 27.78 2bm8 h GLN 70 CO -0.03 0.47 -0.69 0.00 -0.67 0.00 0.00 178.83 177.92 2bm8 h ALA 71 N 1.64 0.57 0.10 3.87 0.00 -0.86 -1.40 119.26 123.17 2bm8 h ALA 71 Ca 0.17 -0.58 -0.00 0.00 0.00 0.00 0.00 54.91 54.50 2bm8 h ALA 71 Cb 0.01 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.74 2bm8 h ALA 71 CO -0.03 0.73 -0.05 0.28 0.00 0.00 0.00 179.25 180.18 2bm8 h VAL 72 N 0.37 0.99 -0.12 0.00 2.07 -1.06 -2.18 116.25 116.31 2bm8 h VAL 72 Ca -0.02 -0.32 -0.03 0.00 0.82 0.00 0.00 66.70 67.14 2bm8 h VAL 72 Cb 1.26 1.20 -0.01 0.00 -1.52 0.00 0.00 31.29 32.23 2bm8 h VAL 72 CO 0.13 0.08 -0.06 1.88 0.02 0.00 0.00 177.57 179.61 2bm8 h TYR 73 N -0.27 0.18 -0.23 1.57 0.99 -1.37 -0.67 116.97 117.18 2bm8 h TYR 73 Ca -0.01 -0.01 -0.01 0.00 2.00 0.00 0.00 58.73 60.70 2bm8 h TYR 73 Cb 0.23 -0.06 -0.01 0.00 1.00 0.00 0.00 36.73 37.89 2bm8 h TYR 73 CO -0.02 0.25 0.11 1.25 -0.00 0.00 0.00 178.16 179.75 2bm8 h HIS 74 N 0.18 0.32 -0.74 4.88 2.76 -1.04 -0.38 115.15 121.13 2bm8 h HIS 74 Ca 0.04 -0.01 -0.03 0.00 -2.20 0.00 0.00 60.37 58.17 2bm8 h HIS 74 Cb 0.23 -0.10 -0.03 0.00 1.55 0.00 0.00 27.41 29.06 2bm8 h HIS 74 CO 0.00 0.31 0.36 -0.44 -1.30 0.00 0.00 177.93 176.87 2bm8 h ASP 75 N 0.24 0.96 -0.41 3.26 3.32 -0.73 -2.05 116.42 121.02 2bm8 h ASP 75 Ca 0.08 -0.13 -0.08 0.00 0.02 0.00 0.00 57.03 56.92 2bm8 h ASP 75 Cb 0.11 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.39 2bm8 h ASP 75 CO -0.01 0.82 -0.02 -0.03 -1.72 0.00 0.00 179.24 178.28 2bm8 h MET 76 N 1.03 0.82 -0.11 3.56 4.05 -0.94 -1.89 114.93 121.45 2bm8 h MET 76 Ca 0.25 -0.23 -0.23 0.00 -0.28 0.00 0.00 59.70 59.21 2bm8 h MET 76 Cb 0.11 -0.09 0.01 0.00 -0.80 0.00 0.00 31.60 30.83 2bm8 h MET 76 CO -0.03 0.84 -0.84 -0.07 0.23 0.00 0.00 176.91 177.03 2bm8 h LEU 77 N 0.76 0.92 -1.18 3.39 4.07 -0.93 -1.63 115.31 120.71 2bm8 h LEU 77 Ca 0.14 -0.63 -0.08 0.00 0.08 0.00 0.00 57.88 57.39 2bm8 h LEU 77 Cb 0.49 -0.27 -0.01 0.00 1.08 0.00 0.00 40.66 41.95 2bm8 h LEU 77 CO 0.02 1.43 -0.29 -0.25 -1.08 0.00 0.00 178.44 178.27 2bm8 h TRP 78 N 0.49 0.22 0.23 1.13 2.91 -1.21 0.34 115.95 120.06 2bm8 h TRP 78 Ca -0.07 -0.04 -0.34 0.00 1.13 0.00 0.00 58.89 59.57 2bm8 h TRP 78 Cb 1.48 -0.05 0.03 0.00 -0.51 0.00 0.00 29.16 30.10 2bm8 h TRP 78 CO 0.09 0.48 -1.54 1.49 -1.03 0.00 0.00 178.44 177.92 2bm8 h GLU 79 N 0.18 0.48 0.00 2.65 4.81 -1.30 -3.39 114.58 118.00 2bm8 h GLU 79 Ca 0.03 -0.82 -0.28 0.00 -0.13 0.00 0.00 59.36 58.15 2bm8 h GLU 79 Cb 0.61 0.31 -0.05 0.00 0.63 0.00 0.00 28.75 30.25 2bm8 h GLU 79 CO 0.04 1.39 -2.11 -0.11 -0.73 0.00 0.00 179.01 177.50 2bm8 n LEU 80 N -3.66 0.25 -3.74 1.64 -0.00 -0.62 -5.03 117.00 105.85 2bm8 n LEU 80 Ca -0.18 0.12 -0.34 0.00 -0.00 0.00 0.00 56.01 55.60 2bm8 n LEU 80 Cb 1.09 0.33 0.04 0.00 -0.00 0.00 0.00 43.42 44.88 2bm8 n LEU 80 CO 0.58 0.37 -0.08 0.54 -0.00 0.00 0.00 177.39 178.79 2bm8 n ARG 81 N -2.75 -1.05 -2.06 1.96 1.74 0.10 -4.76 116.66 109.83 2bm8 n ARG 81 Ca -0.24 0.41 -0.40 0.00 -0.77 0.00 0.00 57.85 56.85 2bm8 n ARG 81 Cb 1.03 -3.85 -0.01 0.00 -1.02 0.00 0.00 32.46 28.61 2bm8 n ARG 81 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 2bm8 s PRO 82 N -6.17 4.04 0.37 5.56 0.04 -1.26 -4.54 135.00 133.04 2bm8 s PRO 82 Ca 0.47 2.17 0.20 0.00 0.04 0.00 0.00 61.00 63.88 2bm8 s PRO 82 Cb -0.18 -2.81 0.22 0.00 0.04 0.00 0.00 34.50 31.77 2bm8 s PRO 82 CO 0.88 -0.44 1.54 0.00 0.04 0.00 0.00 177.00 179.02 2bm8 h ARG 83 N 2.80 0.00 -3.21 4.56 2.47 -0.88 -3.41 114.38 116.72 2bm8 h ARG 83 Ca -0.49 0.00 -0.25 0.00 -1.26 0.00 0.00 59.98 57.97 2bm8 h ARG 83 Cb 1.24 0.00 -0.33 0.00 -1.65 0.00 0.00 29.97 29.24 2bm8 h ARG 83 CO 0.63 0.21 -0.60 0.99 0.56 0.00 0.00 179.97 181.75 2bm8 s THR 84 N -3.11 -0.10 -0.16 2.04 2.01 -0.96 -1.30 115.64 114.05 2bm8 s THR 84 Ca 0.06 0.22 0.01 0.00 0.31 0.00 0.00 61.69 62.28 2bm8 s THR 84 Cb 0.06 -0.26 0.01 0.00 0.01 0.00 0.00 72.50 72.32 2bm8 s THR 84 CO 0.70 0.09 -0.18 -0.63 -0.69 0.00 0.00 174.62 173.92 2bm8 s ILE 85 N 1.43 2.39 -0.16 1.82 1.01 -0.73 -1.41 121.20 125.56 2bm8 s ILE 85 Ca -0.06 -0.85 -0.04 0.00 0.00 0.00 0.00 60.65 59.70 2bm8 s ILE 85 Cb -0.12 -2.00 -0.03 0.00 0.01 0.00 0.00 42.46 40.32 2bm8 s ILE 85 CO -0.06 0.52 -0.03 -0.69 0.00 0.00 0.00 174.94 174.68 2bm8 s VAL 86 N 0.99 3.92 -0.31 2.92 1.01 -0.13 -0.90 120.40 127.90 2bm8 s VAL 86 Ca -0.02 -0.35 -0.03 0.00 0.00 0.00 0.00 61.98 61.58 2bm8 s VAL 86 Cb -0.15 -2.72 0.04 0.00 0.00 0.00 0.00 36.38 33.56 2bm8 s VAL 86 CO -0.04 0.49 0.03 -1.61 0.00 0.00 0.00 175.10 173.97 2bm8 s GLU 87 N 0.40 2.52 -0.32 2.72 0.41 0.11 -0.80 118.70 123.74 2bm8 s GLU 87 Ca -0.04 -1.22 -0.28 0.00 -0.41 0.00 0.00 54.97 53.02 2bm8 s GLU 87 Cb -0.14 -3.27 0.01 0.00 -1.78 0.00 0.00 34.13 28.95 2bm8 s GLU 87 CO 0.03 -0.63 1.03 -1.17 -0.49 0.00 0.00 175.26 174.03 2bm8 s LEU 88 N 1.31 3.96 0.00 1.80 0.20 0.91 -1.14 118.68 125.72 2bm8 s LEU 88 Ca -0.04 0.97 0.00 0.00 0.69 0.00 0.00 54.13 55.76 2bm8 s LEU 88 Cb -0.20 -3.46 0.00 0.00 -0.43 0.00 0.00 46.19 42.10 2bm8 s LEU 88 CO 0.00 -0.84 0.00 0.61 -0.29 0.00 0.00 176.35 175.83 2bm8 n GLY 89 N 3.94 -1.04 0.61 7.98 0.00 0.89 -0.93 105.19 116.64 2bm8 n GLY 89 Ca 0.11 -1.01 -0.13 0.00 0.00 0.00 0.00 46.02 44.98 2bm8 n GLY 89 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2bm8 n VAL 90 N 1.56 0.70 0.00 1.61 0.31 -1.25 -4.78 118.33 116.48 2bm8 n VAL 90 Ca 0.00 -0.17 0.00 0.00 -0.01 0.00 0.00 64.34 64.16 2bm8 n VAL 90 Cb 0.00 -1.68 0.00 0.00 -0.91 0.00 0.00 33.84 31.25 2bm8 n VAL 90 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2bm8 n TYR 91 N -3.57 0.00 1.01 3.52 9.36 -1.26 -2.96 117.16 123.25 2bm8 n TYR 91 Ca -0.25 0.00 0.11 0.00 3.32 0.00 0.00 57.90 61.08 2bm8 n TYR 91 Cb 0.67 0.00 0.01 0.00 -0.63 0.00 0.00 39.34 39.39 2bm8 n TYR 91 CO 0.00 0.00 0.00 0.27 0.22 0.00 0.00 176.86 177.35 2bm8 n ASN 92 N 11.68 0.93 0.00 2.98 6.94 -1.26 -2.49 115.26 134.04 2bm8 n ASN 92 Ca 0.00 -0.82 0.00 0.00 -0.02 0.00 0.00 54.58 53.74 2bm8 n ASN 92 Cb 0.00 0.72 0.00 0.00 -2.36 0.00 0.00 39.78 38.14 2bm8 n ASN 92 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2bm8 n GLY 93 N 1.49 0.75 0.11 4.83 0.00 -1.16 -0.84 105.19 110.37 2bm8 n GLY 93 Ca 0.05 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.96 2bm8 n GLY 93 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2bm8 h GLY 94 N 0.00 -0.07 1.89 -0.02 0.00 -1.84 -1.68 103.07 101.34 2bm8 h GLY 94 Ca 0.00 0.07 -0.07 0.00 0.00 0.00 0.00 47.33 47.33 2bm8 h GLY 94 CO 0.00 -0.07 -0.30 1.48 0.00 0.00 0.00 176.54 177.65 2bm8 h SER 95 N -0.11 0.13 -0.12 0.19 4.64 -1.91 -1.41 113.55 114.95 2bm8 h SER 95 Ca 0.03 -0.04 0.03 0.00 -0.47 0.00 0.00 61.79 61.34 2bm8 h SER 95 Cb 0.15 -0.03 -0.03 0.00 -0.31 0.00 0.00 62.40 62.17 2bm8 h SER 95 CO -0.07 0.43 -0.05 -0.07 -0.87 0.00 0.00 176.83 176.20 2bm8 h LEU 96 N 0.12 -0.18 -1.19 5.97 4.07 -1.81 0.33 115.31 122.62 2bm8 h LEU 96 Ca 0.02 0.05 -0.04 0.00 0.08 0.00 0.00 57.88 57.99 2bm8 h LEU 96 Cb 0.59 0.11 -0.02 0.00 1.08 0.00 0.00 40.66 42.41 2bm8 h LEU 96 CO 0.04 -0.07 0.16 0.00 -1.08 0.00 0.00 178.44 177.49 2bm8 h ALA 97 N 1.07 1.35 -0.10 1.53 0.00 -1.10 -1.59 119.26 120.44 2bm8 h ALA 97 Ca 0.07 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 2bm8 h ALA 97 Cb 0.14 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.72 2bm8 h ALA 97 CO -0.15 0.47 -0.04 2.35 0.00 0.00 0.00 179.25 181.89 2bm8 h TRP 98 N 0.71 0.22 -0.77 0.00 7.01 -0.76 -0.50 115.95 121.87 2bm8 h TRP 98 Ca 0.17 -0.05 -0.01 0.00 2.11 0.00 0.00 58.89 61.11 2bm8 h TRP 98 Cb 0.20 -0.05 -0.04 0.00 -2.10 0.00 0.00 29.16 27.18 2bm8 h TRP 98 CO 0.01 0.53 0.44 0.74 -2.79 0.00 0.00 178.44 177.37 2bm8 h PHE 99 N -0.15 1.03 -0.18 2.65 0.05 -0.87 0.20 116.94 119.67 2bm8 h PHE 99 Ca 0.02 -0.01 -0.00 0.00 3.82 0.00 0.00 57.97 61.80 2bm8 h PHE 99 Cb 0.47 -0.33 -0.01 0.00 2.00 0.00 0.00 35.95 38.07 2bm8 h PHE 99 CO 0.06 0.71 0.10 -0.09 -0.18 0.00 0.00 178.31 178.91 2bm8 h ARG 100 N 1.06 0.24 -0.22 1.51 1.12 -1.23 -1.52 114.38 115.33 2bm8 h ARG 100 Ca 0.27 -0.03 -0.13 0.00 -1.11 0.00 0.00 59.98 58.98 2bm8 h ARG 100 Cb -0.00 -0.05 -0.01 0.00 -0.01 0.00 0.00 29.97 29.90 2bm8 h ARG 100 CO -0.05 0.24 -0.41 -0.44 -3.11 0.00 0.00 179.97 176.19 2bm8 h ASP 101 N 0.19 0.56 -0.26 -3.80 3.32 -0.64 -2.14 116.42 113.65 2bm8 h ASP 101 Ca 0.06 -0.25 -0.12 0.00 0.02 0.00 0.00 57.03 56.74 2bm8 h ASP 101 Cb 0.06 -0.16 -0.00 0.00 0.22 0.00 0.00 39.33 39.45 2bm8 h ASP 101 CO -0.01 0.91 -0.32 0.25 -1.72 0.00 0.00 179.24 178.35 2bm8 h LEU 102 N 0.43 0.73 -0.52 1.55 5.85 -0.55 -1.53 115.31 121.29 2bm8 h LEU 102 Ca 0.04 -0.50 -0.12 0.00 0.84 0.00 0.00 57.88 58.14 2bm8 h LEU 102 Cb 0.91 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.71 2bm8 h LEU 102 CO 0.08 1.08 -0.16 0.71 -0.34 0.00 0.00 178.44 179.82 2bm8 h THR 103 N 0.40 1.27 -0.42 1.05 1.35 -1.25 -2.35 112.91 112.96 2bm8 h THR 103 Ca 0.03 -1.32 0.07 0.00 -0.55 0.00 0.00 66.41 64.64 2bm8 h THR 103 Cb 0.90 1.04 -0.06 0.00 -1.73 0.00 0.00 68.15 68.30 2bm8 h THR 103 CO 0.08 0.46 0.07 0.50 -0.25 0.00 0.00 175.52 176.38 2bm8 h LYS 104 N 0.88 0.19 0.00 4.72 3.64 -1.39 0.72 116.57 125.33 2bm8 h LYS 104 Ca 0.13 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.48 2bm8 h LYS 104 Cb 0.73 -0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 32.51 2bm8 h LYS 104 CO 0.06 0.12 -0.06 0.82 -2.27 0.00 0.00 179.45 178.12 2bm8 h ILE 105 N 0.19 0.34 -0.02 2.00 2.04 -1.10 -2.16 117.51 118.80 2bm8 h ILE 105 Ca 0.21 -0.36 0.00 0.00 1.00 0.00 0.00 64.86 65.71 2bm8 h ILE 105 Cb 0.27 1.26 0.00 0.00 -0.74 0.00 0.00 36.82 37.61 2bm8 h ILE 105 CO -0.29 0.06 -0.01 0.23 0.00 0.00 0.00 178.15 178.15 2bm8 n MET 106 N -3.44 1.99 -1.42 2.37 2.81 -0.90 -4.95 117.12 113.58 2bm8 n MET 106 Ca -0.02 -1.45 -0.08 0.00 -1.81 0.00 0.00 57.70 54.35 2bm8 n MET 106 Cb 0.20 -1.47 -0.03 0.00 -0.71 0.00 0.00 33.22 31.21 2bm8 n MET 106 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2bm8 n GLY 107 N 1.27 0.79 3.60 3.03 0.00 -0.81 -5.00 105.19 108.06 2bm8 n GLY 107 Ca 0.16 -0.66 -0.39 0.00 0.00 0.00 0.00 46.02 45.13 2bm8 n GLY 107 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2bm8 s ILE 108 N -2.31 5.16 -0.89 -0.61 1.01 0.19 -5.01 121.20 118.75 2bm8 s ILE 108 Ca 0.00 0.54 -0.25 0.00 0.00 0.00 0.00 60.65 60.94 2bm8 s ILE 108 Cb 0.00 -3.73 -0.04 0.00 0.01 0.00 0.00 42.46 38.71 2bm8 s ILE 108 CO 0.00 0.12 1.90 -0.62 0.00 0.00 0.00 174.94 176.34 2bm8 s ASP 109 N 1.65 5.25 -0.05 3.58 2.15 -1.26 -4.11 116.67 123.88 2bm8 s ASP 109 Ca 0.15 -0.66 0.04 0.00 0.43 0.00 0.00 52.55 52.51 2bm8 s ASP 109 Cb -0.16 -2.56 0.00 0.00 -0.30 0.00 0.00 42.92 39.90 2bm8 s ASP 109 CO 0.10 -2.62 -0.16 0.00 -0.17 0.00 0.00 175.17 172.32 2bm8 s GLN 111 N 0.19 3.90 -0.11 0.00 -1.52 -0.42 -4.91 119.66 116.79 2bm8 s GLN 111 Ca -0.06 -0.35 -0.18 0.00 -1.95 0.00 0.00 55.36 52.81 2bm8 s GLN 111 Cb -0.12 -3.67 -0.04 0.00 -0.22 0.00 0.00 33.01 28.96 2bm8 s GLN 111 CO 0.03 -0.20 0.48 0.08 -0.25 0.00 0.00 175.29 175.42 2bm8 s VAL 112 N 1.75 5.17 -0.08 1.09 1.01 -0.07 -1.77 120.40 127.49 2bm8 s VAL 112 Ca 0.07 0.97 0.02 0.00 0.00 0.00 0.00 61.98 63.03 2bm8 s VAL 112 Cb -0.16 -3.82 0.01 0.00 0.00 0.00 0.00 36.38 32.41 2bm8 s VAL 112 CO 0.11 0.34 -0.13 -0.63 0.00 0.00 0.00 175.10 174.79 2bm8 s ILE 113 N 0.50 1.28 -0.01 2.22 1.01 -0.08 -1.55 121.20 124.57 2bm8 s ILE 113 Ca 0.26 -0.54 0.06 0.00 0.00 0.00 0.00 60.65 60.44 2bm8 s ILE 113 Cb -0.15 -1.17 -0.02 0.00 0.01 0.00 0.00 42.46 41.12 2bm8 s ILE 113 CO 0.11 0.39 -0.20 -0.83 0.00 0.00 0.00 174.94 174.41 2bm8 s GLY 114 N 0.82 1.43 -0.04 6.18 0.00 -0.90 0.10 107.32 114.91 2bm8 s GLY 114 Ca -0.11 -1.10 0.04 0.00 0.00 0.00 0.00 44.72 43.55 2bm8 s GLY 114 CO 0.02 -0.92 -0.14 -0.42 0.00 0.00 0.00 173.10 171.64 2bm8 s ILE 115 N -0.73 1.21 -0.20 0.90 1.01 -0.29 -1.94 121.20 121.17 2bm8 s ILE 115 Ca 0.11 -0.60 -0.28 0.00 0.00 0.00 0.00 60.65 59.89 2bm8 s ILE 115 Cb -0.10 -1.05 0.10 0.00 0.01 0.00 0.00 42.46 41.42 2bm8 s ILE 115 CO 0.01 0.36 0.89 -0.62 0.00 0.00 0.00 174.94 175.58 2bm8 s ASP 116 N 0.08 -0.52 0.60 3.58 -1.08 -1.02 -0.08 116.67 118.23 2bm8 s ASP 116 Ca -0.03 0.81 0.29 0.00 -0.52 0.00 0.00 52.55 53.09 2bm8 s ASP 116 Cb -0.10 0.75 1.51 0.00 -1.46 0.00 0.00 42.92 43.61 2bm8 s ASP 116 CO 0.01 -0.32 1.91 0.03 0.52 0.00 0.00 175.17 177.33 2bm8 h ARG 117 N 3.61 0.00 -2.55 4.34 3.08 -1.69 -3.06 114.38 118.11 2bm8 h ARG 117 Ca -0.25 0.00 -0.34 0.00 0.07 0.00 0.00 59.98 59.46 2bm8 h ARG 117 Cb 1.16 0.00 -0.36 0.00 0.08 0.00 0.00 29.97 30.85 2bm8 h ARG 117 CO 0.22 0.00 -0.65 0.34 -1.07 0.00 0.00 179.97 178.81 2bm8 s ASP 118 N -5.14 1.59 0.00 7.04 2.15 -1.26 -4.88 116.67 116.17 2bm8 s ASP 118 Ca -0.04 -0.35 0.08 0.00 0.43 0.00 0.00 52.55 52.67 2bm8 s ASP 118 Cb 0.14 0.30 0.15 0.00 -0.30 0.00 0.00 42.92 43.22 2bm8 s ASP 118 CO 0.50 -0.34 0.99 0.18 -0.17 0.00 0.00 175.17 176.33 2bm8 n LEU 119 N 5.31 2.21 0.18 -1.34 4.77 -1.26 -4.60 117.00 122.27 2bm8 n LEU 119 Ca -0.05 -1.53 0.14 0.00 -0.03 0.00 0.00 56.01 54.53 2bm8 n LEU 119 Cb 0.49 -0.09 0.51 0.00 -2.33 0.00 0.00 43.42 41.99 2bm8 n LEU 119 CO 0.08 0.51 0.90 0.77 -1.33 0.00 0.00 177.39 178.32 2bm8 h SER 120 N 1.55 0.00 0.47 -1.43 4.64 -1.94 -2.87 113.55 113.98 2bm8 h SER 120 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2bm8 h SER 120 Cb 0.52 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.61 2bm8 h SER 120 CO 0.00 0.00 -0.45 0.54 -0.87 0.00 0.00 176.83 176.05 2bm8 n ARG 121 N -2.55 0.13 -1.66 4.77 3.00 -1.26 -4.93 116.66 114.15 2bm8 n ARG 121 Ca 0.02 -0.07 -0.48 0.00 -0.01 0.00 0.00 57.85 57.31 2bm8 n ARG 121 Cb 0.31 -1.50 -0.05 0.00 0.00 0.00 0.00 32.46 31.22 2bm8 n ARG 121 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2bm8 n GLN 123 N 4.19 1.30 -2.05 0.00 1.13 -0.02 -4.96 117.38 116.97 2bm8 n GLN 123 Ca 0.19 -1.00 -0.42 0.00 -1.94 0.00 0.00 57.00 53.83 2bm8 n GLN 123 Cb 0.27 -1.20 -0.03 0.00 0.11 0.00 0.00 30.24 29.39 2bm8 n GLN 123 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 2bm8 s ILE 124 N -1.28 3.64 0.67 5.09 1.01 -1.24 -4.98 121.20 124.11 2bm8 s ILE 124 Ca 0.13 0.77 -0.17 0.00 0.00 0.00 0.00 60.65 61.38 2bm8 s ILE 124 Cb 0.10 -3.52 0.00 0.00 0.01 0.00 0.00 42.46 39.05 2bm8 s ILE 124 CO 0.22 -0.10 1.21 -2.16 0.00 0.00 0.00 174.94 174.12 2bm8 s PRO 125 N 4.10 2.52 0.38 2.79 0.04 -1.26 -4.92 135.00 138.66 2bm8 s PRO 125 Ca 0.72 1.79 0.16 0.00 0.04 0.00 0.00 61.00 63.71 2bm8 s PRO 125 Cb -0.31 -1.88 1.04 0.00 0.04 0.00 0.00 34.50 33.39 2bm8 s PRO 125 CO 0.28 -1.55 1.78 0.00 0.04 0.00 0.00 177.00 177.56 2bm8 h ALA 126 N 0.23 2.13 -0.01 8.56 0.00 -2.01 -2.07 119.26 126.09 2bm8 h ALA 126 Ca -0.49 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.48 2bm8 h ALA 126 Cb 1.30 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.09 2bm8 h ALA 126 CO 0.52 -0.51 -0.05 -1.13 0.00 0.00 0.00 179.25 178.09 2bm8 n SER 127 N -4.64 0.80 -1.23 0.00 3.41 -1.26 -3.56 113.62 107.13 2bm8 n SER 127 Ca 0.24 -1.09 -0.07 0.00 -0.26 0.00 0.00 58.87 57.69 2bm8 n SER 127 Cb 0.80 -0.01 0.16 0.00 -0.26 0.00 0.00 64.21 64.90 2bm8 n SER 127 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 2bm8 n ASP 128 N -0.49 3.02 -0.98 4.04 2.03 -0.78 -4.68 116.55 118.72 2bm8 n ASP 128 Ca 0.19 -3.83 0.08 0.00 0.52 0.00 0.00 54.79 51.76 2bm8 n ASP 128 Cb 0.27 -0.56 0.23 0.00 -0.72 0.00 0.00 41.12 40.34 2bm8 n ASP 128 CO 0.00 0.00 0.00 0.23 -1.92 0.00 0.00 177.20 175.51 2bm8 n MET 129 N -1.02 2.84 -1.68 -0.67 2.81 -1.23 -4.87 117.12 113.30 2bm8 n MET 129 Ca 0.33 -2.35 -0.44 0.00 -1.81 0.00 0.00 57.70 53.43 2bm8 n MET 129 Cb 0.89 -1.42 -0.04 0.00 -0.71 0.00 0.00 33.22 31.94 2bm8 n MET 129 CO 0.00 0.00 0.00 -1.91 1.51 0.00 0.00 175.97 175.57 2bm8 n GLU 130 N 1.00 2.62 -0.96 0.03 2.13 -1.26 -1.72 120.64 122.48 2bm8 n GLU 130 Ca 0.18 0.96 0.00 0.00 0.66 0.00 0.00 57.16 58.95 2bm8 n GLU 130 Cb 0.53 -2.84 0.00 0.00 0.27 0.00 0.00 31.44 29.40 2bm8 n GLU 130 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 2bm8 n ASN 131 N 5.93 -2.83 -4.60 4.31 4.13 -1.26 -5.01 115.26 115.92 2bm8 n ASN 131 Ca 0.19 0.00 -0.34 0.00 1.68 0.00 0.00 54.58 56.12 2bm8 n ASN 131 Cb 0.36 -1.21 -0.11 0.00 -1.54 0.00 0.00 39.78 37.28 2bm8 n ASN 131 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 2bm8 s ILE 132 N -2.09 3.79 -0.06 2.41 1.01 -0.70 -0.90 121.20 124.67 2bm8 s ILE 132 Ca 0.00 -0.53 -0.01 0.00 0.00 0.00 0.00 60.65 60.11 2bm8 s ILE 132 Cb 0.00 -2.58 0.03 0.00 0.01 0.00 0.00 42.46 39.91 2bm8 s ILE 132 CO 0.00 0.54 0.01 -0.89 0.00 0.00 0.00 174.94 174.60 2bm8 s THR 133 N -0.88 0.30 0.16 2.92 2.01 -0.60 -4.97 115.64 114.58 2bm8 s THR 133 Ca 0.14 0.14 -0.13 0.00 0.31 0.00 0.00 61.69 62.15 2bm8 s THR 133 Cb -0.11 -0.45 -0.07 0.00 0.01 0.00 0.00 72.50 71.88 2bm8 s THR 133 CO 0.03 0.23 0.53 -0.76 -0.69 0.00 0.00 174.62 173.97 2bm8 s LEU 134 N 1.80 4.30 -0.07 4.42 1.02 -1.26 -2.11 118.68 126.78 2bm8 s LEU 134 Ca 0.02 1.01 -0.04 0.00 0.02 0.00 0.00 54.13 55.15 2bm8 s LEU 134 Cb -0.13 -3.33 0.04 0.00 0.02 0.00 0.00 46.19 42.79 2bm8 s LEU 134 CO -0.04 0.07 0.17 -1.00 0.02 0.00 0.00 176.35 175.57 2bm8 s HIS 135 N -1.53 -0.19 0.57 0.29 3.76 -0.82 -4.97 115.29 112.39 2bm8 s HIS 135 Ca 0.39 0.53 -0.19 0.00 -0.15 0.00 0.00 55.06 55.64 2bm8 s HIS 135 Cb -0.14 -0.04 -0.04 0.00 1.11 0.00 0.00 32.58 33.47 2bm8 s HIS 135 CO 0.19 -0.16 1.16 -1.14 -0.85 0.00 0.00 174.74 173.94 2bm8 s GLN 136 N 1.00 3.16 -0.30 1.40 2.00 -1.26 -2.43 119.66 123.24 2bm8 s GLN 136 Ca -0.08 1.67 -0.26 0.00 -2.00 0.00 0.00 55.36 54.69 2bm8 s GLN 136 Cb -0.09 -1.97 0.19 0.00 0.80 0.00 0.00 33.01 31.94 2bm8 s GLN 136 CO -0.05 -1.02 1.43 0.20 -0.50 0.00 0.00 175.29 175.35 2bm8 s GLY 137 N -1.77 0.29 -0.09 2.59 0.00 -1.15 -4.78 107.32 102.39 2bm8 s GLY 137 Ca 0.74 3.33 -0.02 0.00 0.00 0.00 0.00 44.72 48.77 2bm8 s GLY 137 CO 0.30 1.67 0.00 -0.35 0.00 0.00 0.00 173.10 174.73 2bm8 s ASP 138 N -0.32 5.22 0.16 1.64 3.68 -1.26 -1.86 116.67 123.93 2bm8 s ASP 138 Ca 0.08 0.12 -0.11 0.00 2.13 0.00 0.00 52.55 54.78 2bm8 s ASP 138 Cb -0.04 -1.51 0.01 0.00 -1.45 0.00 0.00 42.92 39.93 2bm8 s ASP 138 CO -0.13 0.36 1.55 0.00 0.13 0.00 0.00 175.17 177.08 2bm8 n SER 140 N -4.15 0.63 -4.39 0.00 3.41 -1.26 -4.47 113.62 103.39 2bm8 n SER 140 Ca 0.00 0.67 -0.41 0.00 -0.26 0.00 0.00 58.87 58.87 2bm8 n SER 140 Cb 0.44 -0.80 -0.11 0.00 -0.26 0.00 0.00 64.21 63.48 2bm8 n SER 140 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 2bm8 s ASP 141 N -4.17 5.85 0.12 4.04 1.01 -1.08 -4.96 116.67 117.47 2bm8 s ASP 141 Ca 0.03 -1.04 0.25 0.00 0.71 0.00 0.00 52.55 52.50 2bm8 s ASP 141 Cb 0.09 -2.06 0.96 0.00 1.01 0.00 0.00 42.92 42.91 2bm8 s ASP 141 CO 0.36 -0.43 1.77 0.18 0.21 0.00 0.00 175.17 177.25 2bm8 n LEU 142 N 5.04 0.40 0.20 1.23 4.77 -1.26 -3.18 117.00 124.20 2bm8 n LEU 142 Ca -0.11 0.55 0.05 0.00 -0.03 0.00 0.00 56.01 56.47 2bm8 n LEU 142 Cb 0.46 -0.45 0.47 0.00 -2.33 0.00 0.00 43.42 41.58 2bm8 n LEU 142 CO 0.39 -0.19 0.90 0.74 -1.33 0.00 0.00 177.39 177.89 2bm8 h THR 143 N 0.00 1.14 0.00 -5.08 2.02 -1.93 -2.72 112.91 106.35 2bm8 h THR 143 Ca 0.00 -0.67 0.00 0.00 0.77 0.00 0.00 66.41 66.51 2bm8 h THR 143 Cb 0.53 1.31 0.00 0.00 -1.74 0.00 0.00 68.15 68.25 2bm8 h THR 143 CO 0.00 0.20 0.00 0.35 0.37 0.00 0.00 175.52 176.44 2bm8 n THR 144 N -4.31 0.24 0.82 3.16 -2.24 -1.19 -2.60 114.28 108.16 2bm8 n THR 144 Ca -0.02 0.06 0.12 0.00 -2.27 0.00 0.00 64.05 61.94 2bm8 n THR 144 Cb 0.25 -0.73 0.12 0.00 -2.10 0.00 0.00 70.33 67.88 2bm8 n THR 144 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 2bm8 n PHE 145 N -1.18 0.11 -0.15 4.78 3.01 -1.02 -4.65 117.46 118.36 2bm8 n PHE 145 Ca 0.12 -0.06 -0.11 0.00 1.01 0.00 0.00 57.45 58.42 2bm8 n PHE 145 Cb 0.13 -0.00 -0.01 0.00 -0.01 0.00 0.00 39.48 39.59 2bm8 n PHE 145 CO 0.00 0.00 0.00 1.49 1.01 0.00 0.00 176.76 179.26 2bm8 h GLU 146 N 4.55 0.81 0.00 -1.08 4.57 -1.65 -2.94 114.58 118.83 2bm8 h GLU 146 Ca 0.00 -0.29 0.00 0.00 -1.18 0.00 0.00 59.36 57.89 2bm8 h GLU 146 Cb 0.98 -0.06 0.00 0.00 -0.16 0.00 0.00 28.75 29.51 2bm8 h GLU 146 CO 0.00 0.90 0.51 1.12 -1.18 0.00 0.00 179.01 180.36 2bm8 h HIS 147 N 0.64 0.00 -0.00 0.92 2.07 -1.83 -1.96 115.15 114.99 2bm8 h HIS 147 Ca 0.12 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.64 2bm8 h HIS 147 Cb 0.57 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.55 2bm8 h HIS 147 CO 0.04 0.00 -0.41 -0.11 -3.07 0.00 0.00 177.93 174.38 2bm8 n LEU 148 N -2.49 0.73 0.23 6.12 7.94 -1.11 -3.94 117.00 124.48 2bm8 n LEU 148 Ca -0.01 -0.12 0.06 0.00 -1.11 0.00 0.00 56.01 54.83 2bm8 n LEU 148 Cb 0.54 -0.19 0.54 0.00 0.53 0.00 0.00 43.42 44.84 2bm8 n LEU 148 CO 0.07 0.16 0.94 0.03 -1.11 0.00 0.00 177.39 177.48 2bm8 h ARG 149 N 0.49 0.00 -0.00 1.96 3.08 -1.54 -2.96 114.38 115.41 2bm8 h ARG 149 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2bm8 h ARG 149 Cb 0.50 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.55 2bm8 h ARG 149 CO 0.00 0.14 -0.19 0.39 -1.07 0.00 0.00 179.97 179.25 2bm8 n GLU 150 N -4.33 0.32 -2.10 0.04 4.71 -1.25 -4.92 120.64 113.10 2bm8 n GLU 150 Ca -0.03 -0.11 -0.36 0.00 -0.01 0.00 0.00 57.16 56.65 2bm8 n GLU 150 Cb 0.21 -1.50 0.02 0.00 -1.01 0.00 0.00 31.44 29.17 2bm8 n GLU 150 CO 0.00 0.00 0.00 -1.64 0.09 0.00 0.00 177.13 175.58 2bm8 s MET 151 N -2.76 3.19 0.77 3.49 -1.94 -1.12 -5.02 119.30 115.90 2bm8 s MET 151 Ca 0.20 1.78 -0.12 0.00 -1.71 0.00 0.00 55.69 55.84 2bm8 s MET 151 Cb 0.19 -2.02 0.05 0.00 2.01 0.00 0.00 34.83 35.06 2bm8 s MET 151 CO 0.55 -1.02 1.13 0.00 -0.01 0.00 0.00 175.02 175.67 2bm8 s ALA 152 N -1.62 2.69 0.21 3.03 0.00 -1.26 -5.07 121.76 119.73 2bm8 s ALA 152 Ca 0.74 -0.46 0.07 0.00 0.00 0.00 0.00 51.96 52.31 2bm8 s ALA 152 Cb -0.29 -3.01 -0.05 0.00 0.00 0.00 0.00 23.12 19.78 2bm8 s ALA 152 CO 0.32 -1.46 -0.11 -1.01 0.00 0.00 0.00 175.76 173.50 2bm8 s HIS 153 N -3.43 1.69 0.98 0.00 3.76 -1.26 -3.87 115.29 113.16 2bm8 s HIS 153 Ca 0.60 -0.64 -0.11 0.00 -0.15 0.00 0.00 55.06 54.76 2bm8 s HIS 153 Cb -0.11 -0.84 0.18 0.00 1.11 0.00 0.00 32.58 32.91 2bm8 s HIS 153 CO 0.51 0.28 1.09 -2.14 -0.85 0.00 0.00 174.74 173.63 2bm8 s PRO 154 N -3.69 0.55 -0.01 8.40 0.02 -1.26 -4.30 135.00 134.71 2bm8 s PRO 154 Ca 0.23 1.03 0.00 0.00 0.02 0.00 0.00 61.00 62.29 2bm8 s PRO 154 Cb 0.01 -1.71 0.01 0.00 0.02 0.00 0.00 34.50 32.83 2bm8 s PRO 154 CO 0.07 -2.79 -0.01 -1.17 -0.33 0.00 0.00 177.00 172.78 2bm8 s LEU 155 N -6.62 1.77 -0.20 -5.54 0.20 -1.26 -0.35 118.68 106.68 2bm8 s LEU 155 Ca 0.66 -0.01 0.01 0.00 0.69 0.00 0.00 54.13 55.48 2bm8 s LEU 155 Cb -0.21 -0.08 0.03 0.00 -0.43 0.00 0.00 46.19 45.49 2bm8 s LEU 155 CO 0.60 -0.02 -0.17 -0.63 -0.29 0.00 0.00 176.35 175.84 2bm8 s ILE 156 N 0.25 2.05 -0.19 6.68 1.01 -0.50 -1.69 121.20 128.81 2bm8 s ILE 156 Ca -0.02 -1.10 -0.06 0.00 0.00 0.00 0.00 60.65 59.47 2bm8 s ILE 156 Cb -0.04 -1.94 -0.03 0.00 0.01 0.00 0.00 42.46 40.46 2bm8 s ILE 156 CO -0.01 0.38 0.03 0.12 0.00 0.00 0.00 174.94 175.46 2bm8 s PHE 157 N 1.26 3.13 -0.24 3.97 5.36 0.10 -0.95 117.98 130.61 2bm8 s PHE 157 Ca 0.01 -0.18 0.02 0.00 -0.96 0.00 0.00 56.93 55.82 2bm8 s PHE 157 Cb -0.15 -2.07 0.05 0.00 -0.34 0.00 0.00 43.02 40.52 2bm8 s PHE 157 CO -0.11 -0.03 -0.10 0.42 -1.46 0.00 0.00 175.22 173.94 2bm8 s ILE 158 N 0.65 1.90 -0.44 3.12 1.01 0.02 -1.18 121.20 126.27 2bm8 s ILE 158 Ca 0.01 -1.38 -0.29 0.00 0.00 0.00 0.00 60.65 58.99 2bm8 s ILE 158 Cb -0.14 -2.03 0.03 0.00 0.01 0.00 0.00 42.46 40.33 2bm8 s ILE 158 CO 0.02 0.02 1.14 -0.62 0.00 0.00 0.00 174.94 175.50 2bm8 s ASP 159 N 1.24 6.68 -0.04 3.58 3.68 0.16 -0.06 116.67 131.91 2bm8 s ASP 159 Ca -0.06 0.61 0.08 0.00 2.13 0.00 0.00 52.55 55.31 2bm8 s ASP 159 Cb -0.19 -2.55 0.18 0.00 -1.45 0.00 0.00 42.92 38.92 2bm8 s ASP 159 CO -0.06 -1.19 1.14 0.59 0.13 0.00 0.00 175.17 175.78 2bm8 n ASN 160 N 7.70 2.49 -0.13 -0.34 3.02 -0.10 -2.36 115.26 125.53 2bm8 n ASN 160 Ca 0.12 -2.28 -0.28 0.00 -0.03 0.00 0.00 54.58 52.11 2bm8 n ASN 160 Cb 0.49 -0.19 -0.10 0.00 -0.61 0.00 0.00 39.78 39.36 2bm8 n ASN 160 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2bm8 n ALA 161 N -0.38 1.17 -2.21 5.41 0.00 -1.15 -4.77 120.51 118.58 2bm8 n ALA 161 Ca 0.08 -1.04 -0.06 0.00 0.00 0.00 0.00 53.44 52.42 2bm8 n ALA 161 Cb 0.43 0.03 0.00 0.00 0.00 0.00 0.00 19.45 19.91 2bm8 n ALA 161 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 2bm8 n HIS 162 N -4.17 -0.35 -5.05 0.00 8.25 -1.26 -5.04 115.22 107.59 2bm8 n HIS 162 Ca -0.51 0.04 -0.29 0.00 -0.26 0.00 0.00 57.72 56.70 2bm8 n HIS 162 Cb 0.88 -1.87 -0.16 0.00 1.12 0.00 0.00 29.99 29.96 2bm8 n HIS 162 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2bm8 s ALA 163 N -2.40 1.86 -1.57 -1.41 0.00 -1.26 -4.74 121.76 112.23 2bm8 s ALA 163 Ca 0.02 -0.87 -0.14 0.00 0.00 0.00 0.00 51.96 50.97 2bm8 s ALA 163 Cb -0.01 -0.60 0.10 0.00 0.00 0.00 0.00 23.12 22.61 2bm8 s ALA 163 CO 0.03 0.34 0.89 -1.71 0.00 0.00 0.00 175.76 175.31 2bm8 n ASN 164 N 3.09 -4.00 -0.00 0.00 5.15 -1.26 -4.73 115.26 113.50 2bm8 n ASN 164 Ca -0.18 -0.86 -0.17 0.00 -0.60 0.00 0.00 54.58 52.77 2bm8 n ASN 164 Cb 0.52 -3.52 -0.11 0.00 -0.53 0.00 0.00 39.78 36.14 2bm8 n ASN 164 CO 0.00 0.00 0.00 0.74 1.40 0.00 0.00 177.26 179.40 2bm8 h THR 165 N -1.90 1.47 -0.16 -0.44 2.02 -1.94 -1.86 112.91 110.10 2bm8 h THR 165 Ca -0.59 -2.08 -0.06 0.00 0.77 0.00 0.00 66.41 64.45 2bm8 h THR 165 Cb 1.38 2.70 -0.01 0.00 -1.74 0.00 0.00 68.15 70.47 2bm8 h THR 165 CO 0.70 0.59 -0.17 -0.26 0.37 0.00 0.00 175.52 176.75 2bm8 h PHE 166 N -0.24 0.29 -0.45 3.16 -1.00 -1.98 -1.67 116.94 115.04 2bm8 h PHE 166 Ca -0.07 -0.04 -0.11 0.00 2.81 0.00 0.00 57.97 60.56 2bm8 h PHE 166 Cb 1.25 -0.08 -0.01 0.00 3.61 0.00 0.00 35.95 40.72 2bm8 h PHE 166 CO 0.16 0.44 -0.17 -0.91 -1.61 0.00 0.00 178.31 176.22 2bm8 h ASN 167 N 0.25 0.92 -0.47 2.17 2.35 -1.93 -1.81 115.58 117.06 2bm8 h ASN 167 Ca 0.05 -0.39 0.00 0.00 -0.55 0.00 0.00 56.30 55.41 2bm8 h ASN 167 Cb 0.46 -0.25 -0.02 0.00 0.05 0.00 0.00 38.32 38.55 2bm8 h ASN 167 CO 0.03 1.10 0.30 0.40 -1.65 0.00 0.00 177.43 177.61 2bm8 h ILE 168 N 0.74 1.13 0.07 2.81 2.04 -1.00 0.03 117.51 123.32 2bm8 h ILE 168 Ca 0.11 -0.25 -0.25 0.00 1.00 0.00 0.00 64.86 65.47 2bm8 h ILE 168 Cb 0.73 0.44 -0.01 0.00 -0.74 0.00 0.00 36.82 37.23 2bm8 h ILE 168 CO 0.06 0.13 -1.17 -0.03 0.00 0.00 0.00 178.15 177.14 2bm8 h MET 169 N 0.64 0.14 0.32 2.37 4.05 -1.24 -0.62 114.93 120.59 2bm8 h MET 169 Ca 0.17 -0.24 -0.02 0.00 -0.28 0.00 0.00 59.70 59.34 2bm8 h MET 169 Cb -0.06 0.09 0.00 0.00 -0.80 0.00 0.00 31.60 30.83 2bm8 h MET 169 CO -0.04 1.09 -0.16 -0.22 0.23 0.00 0.00 176.91 177.82 2bm8 h LYS 170 N 0.04 -0.42 -0.75 0.39 3.64 -1.06 -2.51 116.57 115.90 2bm8 h LYS 170 Ca -0.09 0.03 0.09 0.00 -1.27 0.00 0.00 60.65 59.41 2bm8 h LYS 170 Cb 1.89 0.10 -0.07 0.00 -0.41 0.00 0.00 32.23 33.73 2bm8 h LYS 170 CO 0.16 -0.22 0.40 2.35 -2.27 0.00 0.00 179.45 179.88 2bm8 h TRP 171 N -0.53 0.72 -0.19 1.91 7.01 -0.95 -2.57 115.95 121.36 2bm8 h TRP 171 Ca -0.04 0.03 -0.11 0.00 2.11 0.00 0.00 58.89 60.88 2bm8 h TRP 171 Cb 0.40 -0.21 -0.01 0.00 -2.10 0.00 0.00 29.16 27.23 2bm8 h TRP 171 CO -0.03 0.28 -0.34 0.00 -2.79 0.00 0.00 178.44 175.56 2bm8 h ALA 172 N 1.43 1.06 -0.63 2.65 0.00 -1.08 -1.54 119.26 121.15 2bm8 h ALA 172 Ca 0.36 -0.39 -0.07 0.00 0.00 0.00 0.00 54.91 54.81 2bm8 h ALA 172 Cb 0.35 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 2bm8 h ALA 172 CO -0.25 0.58 0.11 0.28 0.00 0.00 0.00 179.25 179.97 2bm8 h VAL 173 N 0.34 1.26 0.00 0.00 2.07 -1.06 0.25 116.25 119.11 2bm8 h VAL 173 Ca 0.04 -1.00 -0.20 0.00 0.82 0.00 0.00 66.70 66.36 2bm8 h VAL 173 Cb 0.77 0.69 -0.03 0.00 -1.52 0.00 0.00 31.29 31.19 2bm8 h VAL 173 CO 0.06 0.37 -0.95 0.44 0.02 0.00 0.00 177.57 177.51 2bm8 h ASP 174 N 0.95 0.00 0.00 0.57 3.32 -1.20 -3.41 116.42 116.66 2bm8 h ASP 174 Ca 0.19 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.24 2bm8 h ASP 174 Cb 0.42 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.97 2bm8 h ASP 174 CO 0.01 0.95 0.00 1.41 -1.72 0.00 0.00 179.24 179.89 2bm8 n HIS 175 N -3.36 0.00 0.09 4.55 8.25 -0.60 -4.97 115.22 119.18 2bm8 n HIS 175 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 2bm8 n HIS 175 Cb 0.91 0.00 0.00 0.00 1.12 0.00 0.00 29.99 32.02 2bm8 n HIS 175 CO 0.00 0.00 0.00 -0.11 0.64 0.00 0.00 176.34 176.87 2bm8 n LEU 176 N -0.19 -0.08 -4.69 2.41 7.94 -0.39 -4.78 117.00 117.22 2bm8 n LEU 176 Ca 0.00 0.30 -0.42 0.00 -1.11 0.00 0.00 56.01 54.78 2bm8 n LEU 176 Cb 0.08 0.24 -0.03 0.00 0.53 0.00 0.00 43.42 44.24 2bm8 n LEU 176 CO 0.00 -0.67 0.89 -0.76 -1.11 0.00 0.00 177.39 175.73 2bm8 s LEU 177 N -6.23 4.27 0.34 -1.96 1.43 0.76 -5.03 118.68 112.25 2bm8 s LEU 177 Ca 0.00 1.71 -0.01 0.00 -1.03 0.00 0.00 54.13 54.80 2bm8 s LEU 177 Cb 0.00 -3.56 -0.04 0.00 0.03 0.00 0.00 46.19 42.62 2bm8 s LEU 177 CO 0.00 -0.53 0.56 -1.61 0.23 0.00 0.00 176.35 175.00 2bm8 s GLU 178 N 2.10 3.52 -0.09 1.70 2.02 -1.26 -4.88 118.70 121.81 2bm8 s GLU 178 Ca 0.53 -0.22 -0.39 0.00 0.02 0.00 0.00 54.97 54.91 2bm8 s GLU 178 Cb -0.22 -2.65 -0.17 0.00 0.10 0.00 0.00 34.13 31.19 2bm8 s GLU 178 CO 0.21 0.15 1.44 -1.91 0.02 0.00 0.00 175.26 175.17 2bm8 n GLU 179 N -1.58 0.87 0.00 1.61 2.13 -1.26 -1.08 120.64 121.33 2bm8 n GLU 179 Ca -0.04 0.32 0.00 0.00 0.66 0.00 0.00 57.16 58.10 2bm8 n GLU 179 Cb 0.55 -1.94 0.00 0.00 0.27 0.00 0.00 31.44 30.33 2bm8 n GLU 179 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2bm8 n GLY 180 N 3.00 0.41 3.82 8.31 0.00 0.01 -4.98 105.19 115.77 2bm8 n GLY 180 Ca 0.22 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.93 2bm8 n GLY 180 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2bm8 s ASP 181 N -2.21 5.58 -0.07 1.61 1.01 -0.24 -4.73 116.67 117.61 2bm8 s ASP 181 Ca 0.00 1.64 0.02 0.00 0.71 0.00 0.00 52.55 54.92 2bm8 s ASP 181 Cb 0.00 -2.50 -0.02 0.00 1.01 0.00 0.00 42.92 41.40 2bm8 s ASP 181 CO 0.00 -1.31 -0.13 -0.31 0.21 0.00 0.00 175.17 173.63 2bm8 s TYR 182 N -2.92 2.75 -0.19 4.23 1.51 -0.68 -0.97 117.35 121.08 2bm8 s TYR 182 Ca 0.59 -0.24 0.01 0.00 -1.01 0.00 0.00 57.07 56.42 2bm8 s TYR 182 Cb -0.14 -1.69 0.03 0.00 -0.11 0.00 0.00 41.96 40.05 2bm8 s TYR 182 CO 0.50 0.12 -0.18 0.12 -1.11 0.00 0.00 175.55 175.00 2bm8 s PHE 183 N -0.50 2.80 -0.15 2.71 5.36 0.40 -0.72 117.98 127.89 2bm8 s PHE 183 Ca 0.07 -1.73 0.02 0.00 -0.96 0.00 0.00 56.93 54.32 2bm8 s PHE 183 Cb -0.12 -1.88 0.01 0.00 -0.34 0.00 0.00 43.02 40.69 2bm8 s PHE 183 CO 0.02 -0.81 -0.19 0.42 -1.46 0.00 0.00 175.22 173.19 2bm8 s ILE 184 N 1.28 1.91 -0.40 3.12 1.01 -0.33 -1.37 121.20 126.42 2bm8 s ILE 184 Ca 0.02 -0.87 -0.10 0.00 0.00 0.00 0.00 60.65 59.70 2bm8 s ILE 184 Cb -0.14 -1.72 0.05 0.00 0.01 0.00 0.00 42.46 40.66 2bm8 s ILE 184 CO -0.11 0.52 0.24 -0.63 0.00 0.00 0.00 174.94 174.95 2bm8 s ILE 185 N 1.05 4.42 0.08 2.92 1.01 -0.39 -0.66 121.20 129.63 2bm8 s ILE 185 Ca -0.02 -1.13 -0.28 0.00 0.00 0.00 0.00 60.65 59.21 2bm8 s ILE 185 Cb -0.14 -3.59 -0.05 0.00 0.01 0.00 0.00 42.46 38.69 2bm8 s ILE 185 CO -0.06 -0.38 0.90 -1.61 0.00 0.00 0.00 174.94 173.80 2bm8 s GLU 186 N 1.49 4.63 0.00 2.79 2.02 -1.00 -4.54 118.70 124.10 2bm8 s GLU 186 Ca 0.02 1.33 0.00 0.00 0.02 0.00 0.00 54.97 56.34 2bm8 s GLU 186 Cb -0.21 -3.38 0.00 0.00 0.10 0.00 0.00 34.13 30.64 2bm8 s GLU 186 CO 0.04 0.22 0.00 -0.25 0.02 0.00 0.00 175.26 175.29 2bm8 n ASP 187 N 2.87 0.00 0.07 -0.19 8.00 0.22 -4.70 116.55 122.82 2bm8 n ASP 187 Ca 0.01 0.00 0.11 0.00 0.71 0.00 0.00 54.79 55.62 2bm8 n ASP 187 Cb 0.50 0.00 -0.04 0.00 -0.02 0.00 0.00 41.12 41.55 2bm8 n ASP 187 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04 2bm8 n MET 188 N 0.00 0.62 -0.10 -1.24 2.81 -1.26 -4.33 117.12 113.62 2bm8 n MET 188 Ca 0.00 0.06 -0.10 0.00 -1.81 0.00 0.00 57.70 55.85 2bm8 n MET 188 Cb 0.00 -1.76 -0.02 0.00 -0.71 0.00 0.00 33.22 30.73 2bm8 n MET 188 CO 0.00 0.00 0.00 0.82 1.51 0.00 0.00 175.97 178.30 2bm8 h ILE 189 N 0.00 1.17 -0.34 2.02 2.04 -1.84 -0.90 117.51 119.66 2bm8 h ILE 189 Ca -0.01 -0.50 0.08 0.00 1.00 0.00 0.00 64.86 65.42 2bm8 h ILE 189 Cb 1.05 0.92 -0.02 0.00 -0.74 0.00 0.00 36.82 38.03 2bm8 h ILE 189 CO 0.00 0.18 0.23 -0.65 0.00 0.00 0.00 178.15 177.91 2bm8 h PRO 190 N 0.36 0.11 -0.00 2.37 0.11 -1.83 -1.15 132.00 131.96 2bm8 h PRO 190 Ca 0.11 -0.01 -0.24 0.00 0.11 0.00 0.00 66.00 65.97 2bm8 h PRO 190 Cb 0.15 -0.02 0.01 0.00 0.11 0.00 0.00 31.00 31.25 2bm8 h PRO 190 CO -0.01 0.07 -0.98 1.88 -0.21 0.00 0.00 178.00 178.75 2bm8 h TYR 191 N 0.11 0.81 -0.25 0.65 -1.99 -1.51 -2.16 116.97 112.64 2bm8 h TYR 191 Ca 0.16 -0.44 -0.09 0.00 2.00 0.00 0.00 58.73 60.36 2bm8 h TYR 191 Cb 0.48 -0.09 -0.01 0.00 2.00 0.00 0.00 36.73 39.10 2bm8 h TYR 191 CO -0.00 1.26 -0.24 -1.49 -0.00 0.00 0.00 178.16 177.70 2bm8 h TRP 192 N 0.31 0.51 -0.53 4.88 6.55 -0.69 -0.48 115.95 126.50 2bm8 h TRP 192 Ca -0.10 -0.10 -0.11 0.00 0.95 0.00 0.00 58.89 59.52 2bm8 h TRP 192 Cb 1.63 -0.13 -0.02 0.00 -0.86 0.00 0.00 29.16 29.78 2bm8 h TRP 192 CO 0.08 0.66 -0.11 -0.92 -1.05 0.00 0.00 178.44 177.10 2bm8 h TYR 193 N 0.41 1.13 0.28 0.49 3.20 -1.25 -0.74 116.97 120.49 2bm8 h TYR 193 Ca 0.06 -0.24 -0.01 0.00 3.14 0.00 0.00 58.73 61.68 2bm8 h TYR 193 Cb 0.64 -0.28 0.00 0.00 1.54 0.00 0.00 36.73 38.63 2bm8 h TYR 193 CO 0.02 1.06 -0.13 -0.09 -1.64 0.00 0.00 178.16 177.37 2bm8 h ARG 194 N 0.88 -0.36 0.00 1.82 9.65 -1.03 -2.66 114.38 122.69 2bm8 h ARG 194 Ca 0.14 0.02 -0.14 0.00 -1.10 0.00 0.00 59.98 58.90 2bm8 h ARG 194 Cb 0.68 0.08 -0.02 0.00 -1.39 0.00 0.00 29.97 29.32 2bm8 h ARG 194 CO 0.05 -0.14 -0.82 1.88 2.80 0.00 0.00 179.97 183.74 2bm8 h TYR 195 N -0.52 0.00 -1.26 2.20 0.99 -1.15 -3.40 116.97 113.83 2bm8 h TYR 195 Ca -0.04 0.00 -0.43 0.00 2.00 0.00 0.00 58.73 60.26 2bm8 h TYR 195 Cb 0.39 0.00 -0.30 0.00 1.00 0.00 0.00 36.73 37.82 2bm8 h TYR 195 CO -0.02 0.60 -0.88 0.00 -0.00 0.00 0.00 178.16 177.86 2bm8 n ALA 196 N -2.29 1.00 -0.14 3.88 0.00 -0.29 -5.00 120.51 117.67 2bm8 n ALA 196 Ca -0.01 -2.66 0.01 0.00 0.00 0.00 0.00 53.44 50.78 2bm8 n ALA 196 Cb 0.80 -1.01 0.29 0.00 0.00 0.00 0.00 19.45 19.53 2bm8 n ALA 196 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 2bm8 h PRO 197 N 3.89 0.83 0.49 0.00 0.13 -1.58 -1.63 132.00 134.12 2bm8 h PRO 197 Ca -0.01 -0.07 -0.02 0.00 -0.87 0.00 0.00 66.00 65.03 2bm8 h PRO 197 Cb 0.94 -0.18 0.00 0.00 0.13 0.00 0.00 31.00 31.90 2bm8 h PRO 197 CO 0.41 0.58 -0.23 1.96 -0.23 0.00 0.00 178.00 180.48 2bm8 h GLN 198 N 0.84 -0.63 -0.37 0.86 4.20 -1.92 -2.42 115.11 115.68 2bm8 h GLN 198 Ca 0.22 0.04 -0.08 0.00 0.06 0.00 0.00 58.65 58.90 2bm8 h GLN 198 Cb -0.04 0.14 -0.02 0.00 0.30 0.00 0.00 27.48 27.87 2bm8 h GLN 198 CO -0.04 -0.33 -0.10 -0.07 -0.67 0.00 0.00 178.83 177.63 2bm8 h LEU 199 N -0.99 0.61 0.04 1.46 3.38 -1.95 -2.24 115.31 115.62 2bm8 h LEU 199 Ca -0.07 -0.16 -0.00 0.00 0.09 0.00 0.00 57.88 57.74 2bm8 h LEU 199 Cb 0.60 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.18 2bm8 h LEU 199 CO 0.11 0.74 -0.02 0.15 0.09 0.00 0.00 178.44 179.51 2bm8 h PHE 200 N 0.58 -0.05 -0.92 1.13 3.57 -1.33 -1.25 116.94 118.66 2bm8 h PHE 200 Ca 0.11 -0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.64 2bm8 h PHE 200 Cb 0.51 0.02 -0.06 0.00 2.79 0.00 0.00 35.95 39.21 2bm8 h PHE 200 CO 0.02 0.21 0.59 0.77 -2.23 0.00 0.00 178.31 177.67 2bm8 h SER 201 N -0.31 0.98 -0.64 0.41 0.02 -1.39 -0.34 113.55 112.27 2bm8 h SER 201 Ca -0.01 -0.00 -0.09 0.00 -0.84 0.00 0.00 61.79 60.85 2bm8 h SER 201 Cb 0.28 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 62.58 2bm8 h SER 201 CO 0.01 0.66 0.06 -0.08 -1.14 0.00 0.00 176.83 176.34 2bm8 h GLU 202 N 1.14 1.10 -0.04 3.45 4.81 -1.35 -1.34 114.58 122.34 2bm8 h GLU 202 Ca 0.37 -0.32 -0.02 0.00 -0.13 0.00 0.00 59.36 59.26 2bm8 h GLU 202 Cb 0.03 -0.11 -0.00 0.00 0.63 0.00 0.00 28.75 29.30 2bm8 h GLU 202 CO -0.13 1.03 -0.06 1.88 -0.73 0.00 0.00 179.01 181.01 2bm8 h TYR 203 N 1.01 0.14 -0.22 0.92 0.99 -0.78 -2.10 116.97 116.94 2bm8 h TYR 203 Ca 0.19 -0.05 0.02 0.00 2.00 0.00 0.00 58.73 60.89 2bm8 h TYR 203 Cb 0.50 -0.03 -0.02 0.00 1.00 0.00 0.00 36.73 38.19 2bm8 h TYR 203 CO 0.04 0.62 0.10 -0.07 -0.00 0.00 0.00 178.16 178.84 2bm8 h LEU 204 N -0.38 0.14 -2.46 3.88 3.38 -1.14 -2.96 115.31 115.76 2bm8 h LEU 204 Ca 0.00 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 2bm8 h LEU 204 Cb 0.60 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.34 2bm8 h LEU 204 CO 0.01 0.11 -0.03 1.23 0.09 0.00 0.00 178.44 179.86 2bm8 h GLY 205 N 0.22 0.00 2.00 0.83 0.00 -1.19 -1.50 103.07 103.43 2bm8 h GLY 205 Ca 0.09 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.41 2bm8 h GLY 205 CO -0.07 0.00 -0.05 0.00 0.00 0.00 0.00 176.54 176.42 2bm8 h ALA 206 N 1.97 1.22 -0.41 3.60 0.00 -1.20 -2.23 119.26 122.22 2bm8 h ALA 206 Ca -0.00 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 2bm8 h ALA 206 Cb 0.12 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 2bm8 h ALA 206 CO 0.00 0.07 0.04 1.19 0.00 0.00 0.00 179.25 180.55 2bm8 n PHE 207 N -3.47 1.45 0.31 0.00 3.01 -0.56 -4.66 117.46 113.54 2bm8 n PHE 207 Ca -0.02 -0.56 0.20 0.00 1.01 0.00 0.00 57.45 58.09 2bm8 n PHE 207 Cb 0.18 -0.41 1.00 0.00 -0.01 0.00 0.00 39.48 40.24 2bm8 n PHE 207 CO 0.00 0.00 0.00 0.07 1.01 0.00 0.00 176.76 177.84 2bm8 h ARG 208 N 2.49 0.00 0.00 -1.08 0.11 -1.54 -1.50 114.38 112.87 2bm8 h ARG 208 Ca 0.04 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.12 2bm8 h ARG 208 Cb 1.55 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.63 2bm8 h ARG 208 CO 0.36 0.00 -1.02 -0.25 0.10 0.00 0.00 179.97 179.17 2bm8 n ASP 209 N -3.06 0.83 -0.02 0.08 8.00 -1.26 -4.64 116.55 116.49 2bm8 n ASP 209 Ca -0.02 -0.77 -0.02 0.00 0.71 0.00 0.00 54.79 54.69 2bm8 n ASP 209 Cb 0.16 1.14 -0.03 0.00 -0.02 0.00 0.00 41.12 42.38 2bm8 n ASP 209 CO 0.00 0.00 0.00 1.33 -0.39 0.00 0.00 177.20 178.14 2bm8 n VAL 210 N -1.55 0.23 -4.22 2.53 0.24 -1.04 -4.30 118.33 110.22 2bm8 n VAL 210 Ca 0.02 -0.14 -0.20 0.00 -2.04 0.00 0.00 64.34 61.98 2bm8 n VAL 210 Cb 0.32 -0.90 -0.12 0.00 -1.47 0.00 0.00 33.84 31.67 2bm8 n VAL 210 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 2bm8 s LEU 211 N -4.30 2.30 0.28 1.34 1.43 -0.59 -2.28 118.68 116.85 2bm8 s LEU 211 Ca -0.02 -0.66 0.03 0.00 -1.03 0.00 0.00 54.13 52.45 2bm8 s LEU 211 Cb 0.01 -0.65 -0.06 0.00 0.03 0.00 0.00 46.19 45.52 2bm8 s LEU 211 CO 0.14 -0.03 0.07 -0.94 0.23 0.00 0.00 176.35 175.81 2bm8 s SER 212 N -1.87 1.74 -0.24 2.29 1.04 -0.85 -4.45 113.70 111.35 2bm8 s SER 212 Ca 0.02 -1.36 -0.17 0.00 0.48 0.00 0.00 55.95 54.92 2bm8 s SER 212 Cb -0.10 0.05 -0.03 0.00 0.10 0.00 0.00 66.02 66.04 2bm8 s SER 212 CO 0.03 -0.66 0.45 -0.32 0.98 0.00 0.00 173.24 173.72 2bm8 s MET 213 N -3.96 4.09 -0.57 4.02 1.75 -1.26 -1.59 119.30 121.78 2bm8 s MET 213 Ca 0.36 0.22 -0.27 0.00 -1.25 0.00 0.00 55.69 54.75 2bm8 s MET 213 Cb 0.08 -3.62 0.00 0.00 2.84 0.00 0.00 34.83 34.14 2bm8 s MET 213 CO 0.14 -0.23 1.56 0.34 -0.65 0.00 0.00 175.02 176.18 2bm8 s ASP 214 N 1.41 5.86 0.00 1.11 -1.08 -0.25 -4.89 116.67 118.84 2bm8 s ASP 214 Ca 0.19 0.31 0.21 0.00 -0.52 0.00 0.00 52.55 52.75 2bm8 s ASP 214 Cb -0.15 -2.54 0.92 0.00 -1.46 0.00 0.00 42.92 39.69 2bm8 s ASP 214 CO 0.09 -1.92 1.68 0.23 0.52 0.00 0.00 175.17 175.77 2bm8 n MET 215 N 8.87 0.03 0.13 4.34 2.81 -1.26 -1.39 117.12 130.66 2bm8 n MET 215 Ca 0.15 0.13 -0.00 0.00 -1.81 0.00 0.00 57.70 56.16 2bm8 n MET 215 Cb 0.50 -1.50 0.27 0.00 -0.71 0.00 0.00 33.22 31.78 2bm8 n MET 215 CO 0.00 0.00 0.00 1.25 1.51 0.00 0.00 175.97 178.73 2bm8 h LEU 216 N 0.00 0.14 0.00 4.03 5.85 -1.98 -3.38 115.31 119.96 2bm8 h LEU 216 Ca 0.00 -0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.66 2bm8 h LEU 216 Cb 0.35 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.34 2bm8 h LEU 216 CO 0.00 0.53 -1.13 -1.22 -0.34 0.00 0.00 178.44 176.28 2bm8 n TYR 217 N -4.04 0.00 0.25 1.25 0.53 -1.00 -4.76 117.16 109.39 2bm8 n TYR 217 Ca -0.02 0.00 0.13 0.00 -1.02 0.00 0.00 57.90 56.99 2bm8 n TYR 217 Cb 0.46 -0.09 0.62 0.00 -1.03 0.00 0.00 39.34 39.30 2bm8 n TYR 217 CO 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 176.86 175.84 2bm8 h ALA 218 N 0.38 1.09 -0.41 -0.72 0.00 -1.41 -2.01 119.26 116.19 2bm8 h ALA 218 Ca 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.78 2bm8 h ALA 218 Cb 0.18 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.95 2bm8 h ALA 218 CO 0.00 0.18 0.00 0.09 0.00 0.00 0.00 179.25 179.52 2bm8 n ASN 219 N -3.39 3.33 0.01 0.00 3.02 -1.26 -0.61 115.26 116.36 2bm8 n ASN 219 Ca -0.01 -2.17 0.12 0.00 -0.03 0.00 0.00 54.58 52.49 2bm8 n ASN 219 Cb 0.33 -0.33 0.16 0.00 -0.61 0.00 0.00 39.78 39.33 2bm8 n ASN 219 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2bm8 n ALA 220 N 0.57 3.58 -3.23 5.41 0.00 -0.75 -4.90 120.51 121.18 2bm8 n ALA 220 Ca 0.16 -0.37 -0.13 0.00 0.00 0.00 0.00 53.44 53.09 2bm8 n ALA 220 Cb 0.55 -1.06 -0.09 0.00 0.00 0.00 0.00 19.45 18.85 2bm8 n ALA 220 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2bm8 s SER 221 N -3.32 -0.18 0.37 0.00 0.15 -1.26 -4.84 113.70 104.61 2bm8 s SER 221 Ca 0.09 0.09 0.20 0.00 0.70 0.00 0.00 55.95 57.02 2bm8 s SER 221 Cb 0.16 0.32 0.55 0.00 -1.71 0.00 0.00 66.02 65.35 2bm8 s SER 221 CO 0.74 -0.42 1.67 0.77 1.20 0.00 0.00 173.24 177.19 2bm8 h SER 222 N 3.99 0.00 0.89 5.45 4.64 -1.94 -0.26 113.55 126.32 2bm8 h SER 222 Ca -0.30 0.00 -0.23 0.00 -0.47 0.00 0.00 61.79 60.80 2bm8 h SER 222 Cb 1.18 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.24 2bm8 h SER 222 CO 0.40 0.35 -1.12 1.56 -0.87 0.00 0.00 176.83 177.15 2bm8 h GLN 223 N 0.00 0.04 0.00 4.77 4.20 -1.96 -3.30 115.11 118.86 2bm8 h GLN 223 Ca -0.00 -0.07 0.00 0.00 0.06 0.00 0.00 58.65 58.63 2bm8 h GLN 223 Cb 1.01 0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.81 2bm8 h GLN 223 CO 0.05 0.98 -0.86 1.28 -0.67 0.00 0.00 178.83 179.61 2bm8 n LEU 224 N -3.35 0.78 -0.04 1.46 4.77 -1.17 -0.61 117.00 118.83 2bm8 n LEU 224 Ca -0.03 -0.28 -0.01 0.00 -0.03 0.00 0.00 56.01 55.66 2bm8 n LEU 224 Cb 0.96 -0.09 -0.00 0.00 -2.33 0.00 0.00 43.42 41.96 2bm8 n LEU 224 CO 0.48 0.18 0.02 -0.67 -1.33 0.00 0.00 177.39 176.07 2bm8 n ASP 225 N -1.56 0.01 -2.13 -1.43 2.03 -0.12 -1.03 116.55 112.32 2bm8 n ASP 225 Ca 0.04 0.01 -0.17 0.00 0.52 0.00 0.00 54.79 55.19 2bm8 n ASP 225 Cb 0.35 -0.01 -0.03 0.00 -0.72 0.00 0.00 41.12 40.71 2bm8 n ASP 225 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 2bm8 n ARG 226 N 0.07 -1.77 0.00 -0.67 1.74 0.22 -4.67 116.66 111.58 2bm8 n ARG 226 Ca 0.01 0.87 0.00 0.00 -0.77 0.00 0.00 57.85 57.95 2bm8 n ARG 226 Cb -0.00 -5.41 0.00 0.00 -1.02 0.00 0.00 32.46 26.03 2bm8 n ARG 226 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2bm8 n GLY 227 N -0.73 0.29 3.32 -0.13 0.00 -0.20 -4.94 105.19 102.80 2bm8 n GLY 227 Ca -0.19 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.39 2bm8 n GLY 227 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2bm8 s VAL 228 N -0.54 4.92 0.09 1.61 1.01 -1.25 -1.26 120.40 124.96 2bm8 s VAL 228 Ca 0.00 -1.35 0.06 0.00 0.00 0.00 0.00 61.98 60.69 2bm8 s VAL 228 Cb 0.00 -4.05 -0.04 0.00 0.00 0.00 0.00 36.38 32.29 2bm8 s VAL 228 CO 0.00 -0.68 -0.05 -0.76 0.00 0.00 0.00 175.10 173.61 2bm8 s LEU 229 N 1.55 3.25 0.06 3.92 1.43 -0.47 -1.09 118.68 127.33 2bm8 s LEU 229 Ca 0.04 -0.26 -0.02 0.00 -1.03 0.00 0.00 54.13 52.85 2bm8 s LEU 229 Cb -0.26 -1.99 -0.03 0.00 0.03 0.00 0.00 46.19 43.93 2bm8 s LEU 229 CO 0.04 0.19 0.00 0.00 0.23 0.00 0.00 176.35 176.81 2bm8 s ARG 230 N -2.15 0.66 -0.25 1.70 1.70 -0.62 -0.45 118.95 119.53 2bm8 s ARG 230 Ca 0.23 -1.20 -0.29 0.00 -0.47 0.00 0.00 55.73 54.00 2bm8 s ARG 230 Cb -0.11 0.23 -0.00 0.00 -0.57 0.00 0.00 34.95 34.49 2bm8 s ARG 230 CO 0.15 -0.14 1.29 0.50 -1.08 0.00 0.00 175.30 176.02 2bm8 s ARG 231 N -3.92 4.03 0.26 3.89 6.06 -0.14 -2.02 118.95 127.11 2bm8 s ARG 231 Ca 0.08 1.41 0.07 0.00 -2.50 0.00 0.00 55.73 54.79 2bm8 s ARG 231 Cb 0.08 -3.84 -0.04 0.00 0.06 0.00 0.00 34.95 31.21 2bm8 s ARG 231 CO -0.10 -0.97 0.21 0.14 -2.50 0.00 0.00 175.30 172.08 2bm8 s VAL 232 N 4.06 4.42 0.43 7.11 -7.23 -0.97 -0.81 120.40 127.41 2bm8 s VAL 232 Ca 0.56 -1.39 0.04 0.00 -1.81 0.00 0.00 61.98 59.37 2bm8 s VAL 232 Cb -0.19 -3.40 0.00 0.00 0.56 0.00 0.00 36.38 33.36 2bm8 s VAL 232 CO 0.20 -0.34 0.61 0.00 -0.31 0.00 0.00 175.10 175.26 2bm8 s ALA 233 N -2.14 4.04 -2.47 1.32 0.00 -1.26 -4.62 121.76 116.63 2bm8 s ALA 233 Ca 0.33 -1.32 0.28 0.00 0.00 0.00 0.00 51.96 51.25 2bm8 s ALA 233 Cb -0.08 -1.91 1.10 0.00 0.00 0.00 0.00 23.12 22.23 2bm8 s ALA 233 CO 0.25 -0.33 1.78 0.00 0.00 0.00 0.00 175.76 177.46