#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2b1q s ARG 2 N 0.00 2.15 0.15 0.03 0.52 -1.26 -5.05 118.95 115.49 2b1q s ARG 2 Ca 0.00 -1.70 0.26 0.00 -0.52 0.00 0.00 55.73 53.78 2b1q s ARG 2 Cb 0.00 -1.99 0.78 0.00 0.52 0.00 0.00 34.95 34.25 2b1q s ARG 2 CO 0.00 0.13 1.69 0.00 0.02 0.00 0.00 175.30 177.15 2b1q n GLN 3 N -1.00 0.21 -3.79 3.54 10.64 -1.03 -4.88 117.38 121.07 2b1q n GLN 3 Ca -0.04 0.14 -0.13 0.00 -1.83 0.00 0.00 57.00 55.15 2b1q n GLN 3 Cb 0.62 -1.71 -0.11 0.00 -0.86 0.00 0.00 30.24 28.17 2b1q n GLN 3 CO 0.00 0.00 0.00 -1.17 -1.83 0.00 0.00 177.06 174.06 2b1q s LEU 4 N -4.13 1.06 -0.34 2.61 2.96 -1.13 -4.81 118.68 114.88 2b1q s LEU 4 Ca 0.10 0.44 0.01 0.00 -0.22 0.00 0.00 54.13 54.46 2b1q s LEU 4 Cb 0.14 0.88 0.09 0.00 0.50 0.00 0.00 46.19 47.80 2b1q s LEU 4 CO 0.62 -0.13 0.07 -0.22 -1.32 0.00 0.00 176.35 175.36 2b1q s LEU 5 N -0.05 4.61 -0.26 -0.68 2.96 -0.62 -0.42 118.68 124.23 2b1q s LEU 5 Ca -0.02 -1.90 -0.15 0.00 -0.22 0.00 0.00 54.13 51.85 2b1q s LEU 5 Cb -0.02 -1.69 -0.04 0.00 0.50 0.00 0.00 46.19 44.94 2b1q s LEU 5 CO 0.01 -0.39 0.35 -0.22 -1.32 0.00 0.00 176.35 174.78 2b1q s LEU 6 N 1.04 4.06 -0.15 -0.68 2.96 0.19 -1.70 118.68 124.40 2b1q s LEU 6 Ca 0.05 0.29 0.01 0.00 -0.22 0.00 0.00 54.13 54.26 2b1q s LEU 6 Cb -0.20 -2.40 0.02 0.00 0.50 0.00 0.00 46.19 44.11 2b1q s LEU 6 CO -0.06 -0.15 -0.15 -0.63 -1.32 0.00 0.00 176.35 174.04 2b1q s ILE 7 N 1.89 1.65 0.02 6.68 1.01 -0.22 -0.79 121.20 131.45 2b1q s ILE 7 Ca 0.15 -0.69 0.00 0.00 0.00 0.00 0.00 60.65 60.11 2b1q s ILE 7 Cb -0.16 -1.53 -0.02 0.00 0.01 0.00 0.00 42.46 40.77 2b1q s ILE 7 CO 0.09 0.47 -0.03 -0.55 0.00 0.00 0.00 174.94 174.92 2b1q s SER 8 N 1.37 0.28 0.69 3.58 0.15 -0.68 -0.15 113.70 118.93 2b1q s SER 8 Ca 0.03 -0.45 -0.11 0.00 0.70 0.00 0.00 55.95 56.12 2b1q s SER 8 Cb -0.13 0.08 0.01 0.00 -1.71 0.00 0.00 66.02 64.27 2b1q s SER 8 CO -0.10 -0.26 1.08 -0.62 1.20 0.00 0.00 173.24 174.55 2b1q s ASP 9 N -1.32 5.56 0.00 5.45 2.15 -0.80 -0.55 116.67 127.16 2b1q s ASP 9 Ca -0.14 1.16 0.00 0.00 0.43 0.00 0.00 52.55 54.00 2b1q s ASP 9 Cb -0.09 -2.00 0.00 0.00 -0.30 0.00 0.00 42.92 40.53 2b1q s ASP 9 CO -0.01 -1.27 0.00 0.18 -0.17 0.00 0.00 175.17 173.91 2b1q n LEU 10 N -2.96 0.58 -4.67 -1.34 4.77 -1.26 -2.82 117.00 109.31 2b1q n LEU 10 Ca 0.07 0.00 -0.50 0.00 -0.03 0.00 0.00 56.01 55.54 2b1q n LEU 10 Cb 0.57 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.60 2b1q n LEU 10 CO 0.57 0.00 1.25 0.47 -1.33 0.00 0.00 177.39 178.35 2b1q n ASP 11 N -1.24 2.75 0.00 -1.43 8.00 -1.26 -0.26 116.55 123.12 2b1q n ASP 11 Ca 0.00 1.06 0.00 0.00 0.71 0.00 0.00 54.79 56.56 2b1q n ASP 11 Cb 0.00 -1.30 0.00 0.00 -0.02 0.00 0.00 41.12 39.80 2b1q n ASP 11 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 2b1q n ASN 12 N 4.61 0.00 0.00 -2.24 3.02 0.63 -4.77 115.26 116.52 2b1q n ASN 12 Ca 0.21 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.76 2b1q n ASN 12 Cb 0.24 -0.67 0.00 0.00 -0.61 0.00 0.00 39.78 38.74 2b1q n ASN 12 CO 0.00 0.00 0.00 0.41 -2.62 0.00 0.00 177.26 175.05 2b1q n THR 13 N -2.00 0.00 0.03 3.41 -1.04 -0.21 -4.14 114.28 110.34 2b1q n THR 13 Ca 0.00 0.00 -0.10 0.00 -2.04 0.00 0.00 64.05 61.91 2b1q n THR 13 Cb 0.00 -0.48 0.04 0.00 -1.82 0.00 0.00 70.33 68.07 2b1q n THR 13 CO 0.00 0.00 0.00 -0.25 -0.64 0.00 0.00 175.07 174.18 2b1q h TRP 14 N 0.00 0.62 -3.16 -1.42 2.91 -0.89 0.23 115.95 114.25 2b1q h TRP 14 Ca 0.00 -0.25 -0.63 0.00 1.13 0.00 0.00 58.89 59.14 2b1q h TRP 14 Cb 0.00 -0.11 -0.10 0.00 -0.51 0.00 0.00 29.16 28.44 2b1q h TRP 14 CO 0.00 0.98 -0.62 0.08 -1.03 0.00 0.00 178.44 177.85 2b1q s VAL 15 N -3.81 4.31 0.00 2.65 1.01 0.65 -4.20 120.40 121.00 2b1q s VAL 15 Ca -0.07 -0.92 0.00 0.00 0.00 0.00 0.00 61.98 60.99 2b1q s VAL 15 Cb 0.11 -3.09 0.00 0.00 0.00 0.00 0.00 36.38 33.40 2b1q s VAL 15 CO 0.84 0.08 0.00 0.61 0.00 0.00 0.00 175.10 176.63 2b1q n GLY 16 N 0.35 2.29 2.80 4.51 0.00 -1.26 -0.27 105.19 113.62 2b1q n GLY 16 Ca -0.09 -0.28 -0.30 0.00 0.00 0.00 0.00 46.02 45.35 2b1q n GLY 16 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2b1q s ASP 17 N -0.14 4.05 0.28 1.61 -1.08 -1.26 -5.01 116.67 115.12 2b1q s ASP 17 Ca 0.00 -2.31 0.02 0.00 -0.52 0.00 0.00 52.55 49.74 2b1q s ASP 17 Cb 0.00 -1.17 0.57 0.00 -1.46 0.00 0.00 42.92 40.85 2b1q s ASP 17 CO 0.00 -0.33 1.84 -0.61 0.52 0.00 0.00 175.17 176.59 2b1q h GLN 18 N 7.25 0.96 -0.29 4.34 5.75 -1.96 0.01 115.11 131.17 2b1q h GLN 18 Ca -0.06 -0.06 -0.01 0.00 -0.15 0.00 0.00 58.65 58.37 2b1q h GLN 18 Cb 0.96 -0.22 -0.01 0.00 1.07 0.00 0.00 27.48 29.28 2b1q h GLN 18 CO 0.51 0.63 0.15 0.37 -2.65 0.00 0.00 178.83 177.84 2b1q h GLN 19 N 0.99 0.42 -0.48 1.69 4.15 -1.99 -0.95 115.11 118.93 2b1q h GLN 19 Ca 0.50 -0.06 -0.10 0.00 0.77 0.00 0.00 58.65 59.76 2b1q h GLN 19 Cb 0.51 -0.08 -0.02 0.00 0.21 0.00 0.00 27.48 28.10 2b1q h GLN 19 CO -0.27 0.39 -0.10 0.00 -1.93 0.00 0.00 178.83 176.93 2b1q h ALA 20 N 1.01 0.91 -0.25 3.38 0.00 -1.79 -1.50 119.26 121.03 2b1q h ALA 20 Ca 0.10 -0.33 0.03 0.00 0.00 0.00 0.00 54.91 54.71 2b1q h ALA 20 Cb 0.10 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 2b1q h ALA 20 CO -0.01 0.63 0.07 1.25 0.00 0.00 0.00 179.25 181.19 2b1q h LEU 21 N 0.79 0.06 -0.46 0.00 6.46 -0.79 -0.32 115.31 121.05 2b1q h LEU 21 Ca 0.13 0.03 -0.01 0.00 -0.12 0.00 0.00 57.88 57.91 2b1q h LEU 21 Cb 0.61 0.03 -0.02 0.00 -0.73 0.00 0.00 40.66 40.55 2b1q h LEU 21 CO 0.04 0.07 0.24 -0.33 -0.62 0.00 0.00 178.44 177.83 2b1q h GLU 22 N 0.18 0.66 0.00 1.25 5.08 -0.84 -0.91 114.58 119.99 2b1q h GLU 22 Ca 0.11 -0.09 -0.03 0.00 -1.00 0.00 0.00 59.36 58.35 2b1q h GLU 22 Cb 0.09 -0.12 -0.00 0.00 0.50 0.00 0.00 28.75 29.21 2b1q h GLU 22 CO -0.13 0.54 -0.15 1.12 -1.00 0.00 0.00 179.01 179.40 2b1q h HIS 23 N 0.61 0.00 -0.16 4.33 2.07 -1.06 -0.34 115.15 120.59 2b1q h HIS 23 Ca 0.16 0.00 -0.08 0.00 -2.85 0.00 0.00 60.37 57.60 2b1q h HIS 23 Cb 0.09 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 30.07 2b1q h HIS 23 CO -0.01 0.15 -0.20 1.25 -3.07 0.00 0.00 177.93 176.05 2b1q h LEU 24 N 0.00 0.46 -1.03 6.12 5.85 -0.75 -2.14 115.31 123.82 2b1q h LEU 24 Ca -0.00 -0.50 -0.09 0.00 0.84 0.00 0.00 57.88 58.12 2b1q h LEU 24 Cb 0.85 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.74 2b1q h LEU 24 CO 0.02 0.87 -0.34 1.56 -0.34 0.00 0.00 178.44 180.20 2b1q h GLN 25 N 0.06 0.26 0.10 1.25 4.20 -0.92 -1.06 115.11 118.99 2b1q h GLN 25 Ca 0.02 -0.11 -0.00 0.00 0.06 0.00 0.00 58.65 58.62 2b1q h GLN 25 Cb 0.75 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.52 2b1q h GLN 25 CO 0.05 0.57 -0.05 0.93 -0.67 0.00 0.00 178.83 179.66 2b1q h GLU 26 N 0.22 -0.12 -0.25 1.46 4.39 -1.02 0.48 114.58 119.74 2b1q h GLU 26 Ca 0.03 0.01 0.04 0.00 0.34 0.00 0.00 59.36 59.78 2b1q h GLU 26 Cb 0.72 0.03 -0.04 0.00 -0.10 0.00 0.00 28.75 29.35 2b1q h GLU 26 CO 0.05 0.09 -0.02 -0.92 -1.16 0.00 0.00 179.01 177.05 2b1q h TYR 27 N -0.32 -0.05 -0.17 4.33 5.03 -1.18 -2.29 116.97 122.31 2b1q h TYR 27 Ca -0.01 0.02 -0.11 0.00 2.58 0.00 0.00 58.73 61.21 2b1q h TYR 27 Cb 0.27 0.06 -0.01 0.00 1.55 0.00 0.00 36.73 38.60 2b1q h TYR 27 CO -0.01 -0.06 -0.36 -0.07 -1.32 0.00 0.00 178.16 176.34 2b1q h LEU 28 N 0.05 0.38 -1.22 2.82 3.38 -1.12 -2.78 115.31 116.83 2b1q h LEU 28 Ca 0.12 -0.15 0.00 0.00 0.09 0.00 0.00 57.88 57.94 2b1q h LEU 28 Cb 0.16 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.81 2b1q h LEU 28 CO -0.22 0.72 0.00 1.23 0.09 0.00 0.00 178.44 180.26 2b1q h GLY 29 N 1.12 0.00 0.57 0.83 0.00 0.54 -1.40 103.07 104.73 2b1q h GLY 29 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.37 2b1q h GLY 29 CO 0.06 0.00 -0.41 1.22 0.00 0.00 0.00 176.54 177.42 2b1q n ASP 30 N -2.29 0.80 -2.77 0.19 8.00 -1.05 -4.21 116.55 115.21 2b1q n ASP 30 Ca -0.00 -0.60 -0.03 0.00 0.71 0.00 0.00 54.79 54.87 2b1q n ASP 30 Cb 0.11 0.23 0.06 0.00 -0.02 0.00 0.00 41.12 41.50 2b1q n ASP 30 CO 0.00 0.00 0.00 -2.11 -0.39 0.00 0.00 177.20 174.70 2b1q n ARG 31 N -1.07 1.53 -0.26 -1.24 0.00 -0.58 -4.97 116.66 110.06 2b1q n ARG 31 Ca 0.09 -3.10 0.16 0.00 -0.00 0.00 0.00 57.85 55.00 2b1q n ARG 31 Cb 0.34 -1.21 0.44 0.00 -0.00 0.00 0.00 32.46 32.04 2b1q n ARG 31 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.63 177.54 2b1q h ARG 32 N 2.48 0.53 0.00 2.89 9.65 -1.59 -0.96 114.38 127.38 2b1q h ARG 32 Ca -0.17 -0.03 0.00 0.00 -1.10 0.00 0.00 59.98 58.67 2b1q h ARG 32 Cb 1.25 -0.12 0.00 0.00 -1.39 0.00 0.00 29.97 29.71 2b1q h ARG 32 CO 0.20 0.35 0.00 0.41 2.80 0.00 0.00 179.97 183.73 2b1q n GLY 33 N -1.46 -0.92 0.53 2.80 0.00 -1.26 -3.41 105.19 101.47 2b1q n GLY 33 Ca 0.19 -0.13 0.13 0.00 0.00 0.00 0.00 46.02 46.21 2b1q n GLY 33 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2b1q n ASN 34 N -1.15 1.80 -3.79 1.61 3.02 -0.37 -4.90 115.26 111.49 2b1q n ASN 34 Ca 0.14 -1.45 -0.11 0.00 -0.03 0.00 0.00 54.58 53.13 2b1q n ASN 34 Cb 0.14 0.12 -0.08 0.00 -0.61 0.00 0.00 39.78 39.35 2b1q n ASN 34 CO 0.00 0.00 0.00 0.72 -2.62 0.00 0.00 177.26 175.36 2b1q s PHE 35 N -2.22 -0.06 -0.12 3.10 -0.71 -1.22 -2.46 117.98 114.29 2b1q s PHE 35 Ca 0.29 -0.08 -0.07 0.00 -1.04 0.00 0.00 56.93 56.03 2b1q s PHE 35 Cb 0.20 0.05 -0.04 0.00 -1.21 0.00 0.00 43.02 42.02 2b1q s PHE 35 CO 0.42 -0.46 0.13 0.71 -1.34 0.00 0.00 175.22 174.68 2b1q s TYR 36 N -2.39 3.58 -0.06 3.49 1.51 0.44 -4.99 117.35 118.94 2b1q s TYR 36 Ca -0.06 0.51 0.06 0.00 -1.01 0.00 0.00 57.07 56.56 2b1q s TYR 36 Cb -0.02 -1.94 -0.01 0.00 -0.11 0.00 0.00 41.96 39.88 2b1q s TYR 36 CO -0.03 0.71 -0.24 -1.17 -1.11 0.00 0.00 175.55 173.72 2b1q s LEU 37 N -0.97 2.16 -0.02 -1.29 2.96 -1.26 -0.64 118.68 119.63 2b1q s LEU 37 Ca 0.15 -0.47 0.00 0.00 -0.22 0.00 0.00 54.13 53.59 2b1q s LEU 37 Cb -0.12 -1.40 0.02 0.00 0.50 0.00 0.00 46.19 45.19 2b1q s LEU 37 CO 0.04 0.26 0.01 0.00 -1.32 0.00 0.00 176.35 175.33 2b1q s ALA 38 N -0.23 0.16 -0.24 5.97 0.00 0.03 0.26 121.76 127.72 2b1q s ALA 38 Ca -0.01 0.18 -0.11 0.00 0.00 0.00 0.00 51.96 52.02 2b1q s ALA 38 Cb -0.13 -0.22 -0.05 0.00 0.00 0.00 0.00 23.12 22.72 2b1q s ALA 38 CO 0.03 -0.06 0.18 0.71 0.00 0.00 0.00 175.76 176.62 2b1q s TYR 39 N 0.79 3.31 -0.42 0.00 2.02 -1.03 -1.69 117.35 120.33 2b1q s TYR 39 Ca -0.07 0.25 -0.03 0.00 -0.37 0.00 0.00 57.07 56.84 2b1q s TYR 39 Cb -0.10 -2.30 0.11 0.00 -0.40 0.00 0.00 41.96 39.27 2b1q s TYR 39 CO -0.02 0.03 0.22 0.00 -1.57 0.00 0.00 175.55 174.22 2b1q s ALA 40 N 1.17 3.19 0.26 3.71 0.00 0.29 0.05 121.76 130.42 2b1q s ALA 40 Ca 0.08 -2.58 0.09 0.00 0.00 0.00 0.00 51.96 49.55 2b1q s ALA 40 Cb -0.14 -2.44 -0.05 0.00 0.00 0.00 0.00 23.12 20.49 2b1q s ALA 40 CO 0.05 -1.82 -0.13 -0.08 0.00 0.00 0.00 175.76 173.78 2b1q s THR 41 N 1.08 1.95 -0.76 0.00 -1.32 -0.39 -3.67 115.64 112.52 2b1q s THR 41 Ca 0.09 -2.24 0.26 0.00 -1.21 0.00 0.00 61.69 58.59 2b1q s THR 41 Cb -0.23 -2.27 0.23 0.00 -1.51 0.00 0.00 72.50 68.72 2b1q s THR 41 CO -0.04 -0.43 1.70 0.61 -2.21 0.00 0.00 174.62 174.25 2b1q n GLY 42 N -0.53 -1.61 3.78 6.08 0.00 -1.26 -0.52 105.19 111.13 2b1q n GLY 42 Ca -0.06 -0.09 -0.33 0.00 0.00 0.00 0.00 46.02 45.54 2b1q n GLY 42 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2b1q s ARG 43 N -3.09 3.01 0.76 1.61 0.52 -1.26 -3.93 118.95 116.56 2b1q s ARG 43 Ca 0.10 1.33 -0.11 0.00 -0.52 0.00 0.00 55.73 56.53 2b1q s ARG 43 Cb 0.14 -1.98 0.05 0.00 0.52 0.00 0.00 34.95 33.67 2b1q s ARG 43 CO 0.61 -1.08 1.10 -1.54 0.02 0.00 0.00 175.30 174.41 2b1q s SER 44 N -2.64 4.89 0.15 0.23 1.04 -1.26 -0.01 113.70 116.10 2b1q s SER 44 Ca 0.66 1.25 -0.18 0.00 0.48 0.00 0.00 55.95 58.16 2b1q s SER 44 Cb -0.19 -2.01 0.06 0.00 0.10 0.00 0.00 66.02 63.98 2b1q s SER 44 CO 0.39 -1.71 1.69 0.22 0.98 0.00 0.00 173.24 174.81 2b1q h TYR 45 N -0.91 -0.12 -0.62 5.02 3.20 -1.96 0.86 116.97 122.45 2b1q h TYR 45 Ca -0.46 0.03 0.05 0.00 3.14 0.00 0.00 58.73 61.49 2b1q h TYR 45 Cb 1.26 0.10 -0.05 0.00 1.54 0.00 0.00 36.73 39.58 2b1q h TYR 45 CO 0.48 -0.11 0.33 1.25 -1.64 0.00 0.00 178.16 178.47 2b1q h HIS 46 N 0.04 0.61 -0.58 -3.82 2.76 -1.99 0.64 115.15 112.80 2b1q h HIS 46 Ca 0.16 0.02 -0.10 0.00 -2.20 0.00 0.00 60.37 58.26 2b1q h HIS 46 Cb 0.24 -0.18 -0.02 0.00 1.55 0.00 0.00 27.41 29.00 2b1q h HIS 46 CO -0.28 0.29 -0.02 1.03 -1.30 0.00 0.00 177.93 177.65 2b1q h SER 47 N 0.63 1.01 -0.68 3.26 0.87 -1.76 -1.51 113.55 115.36 2b1q h SER 47 Ca 0.28 -0.29 -0.07 0.00 -1.23 0.00 0.00 61.79 60.48 2b1q h SER 47 Cb 0.17 -0.27 -0.03 0.00 -0.44 0.00 0.00 62.40 61.83 2b1q h SER 47 CO -0.18 1.07 0.16 0.00 -0.53 0.00 0.00 176.83 177.35 2b1q h ALA 48 N 1.03 0.97 -0.35 6.23 0.00 -0.18 -1.58 119.26 125.38 2b1q h ALA 48 Ca 0.16 -0.25 -0.08 0.00 0.00 0.00 0.00 54.91 54.75 2b1q h ALA 48 Cb 0.57 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 2b1q h ALA 48 CO 0.03 0.66 -0.10 0.00 0.00 0.00 0.00 179.25 179.84 2b1q h ARG 49 N 1.05 0.60 -0.32 0.00 2.47 -0.59 -1.69 114.38 115.90 2b1q h ARG 49 Ca 0.22 -0.18 -0.03 0.00 -1.26 0.00 0.00 59.98 58.72 2b1q h ARG 49 Cb 0.38 -0.06 -0.01 0.00 -1.65 0.00 0.00 29.97 28.63 2b1q h ARG 49 CO 0.00 0.70 0.07 0.93 0.56 0.00 0.00 179.97 182.23 2b1q h GLU 50 N 0.56 0.51 -0.91 0.04 5.08 -0.81 -2.88 114.58 116.18 2b1q h GLU 50 Ca 0.10 -0.13 0.03 0.00 -1.00 0.00 0.00 59.36 58.37 2b1q h GLU 50 Cb 0.51 -0.06 -0.05 0.00 0.50 0.00 0.00 28.75 29.64 2b1q h GLU 50 CO 0.03 0.59 0.59 1.25 -1.00 0.00 0.00 179.01 180.47 2b1q h LEU 51 N 0.35 0.98 -0.90 1.33 5.85 -0.99 -1.87 115.31 120.07 2b1q h LEU 51 Ca 0.10 -0.01 0.07 0.00 0.84 0.00 0.00 57.88 58.88 2b1q h LEU 51 Cb 0.31 -0.22 -0.07 0.00 0.37 0.00 0.00 40.66 41.05 2b1q h LEU 51 CO 0.00 0.68 0.56 -0.61 -0.34 0.00 0.00 178.44 178.73 2b1q h GLN 52 N 1.15 0.97 -0.29 1.25 4.15 -1.13 -1.17 115.11 120.03 2b1q h GLN 52 Ca 0.36 -0.06 -0.13 0.00 0.77 0.00 0.00 58.65 59.60 2b1q h GLN 52 Cb 0.00 -0.22 -0.01 0.00 0.21 0.00 0.00 27.48 27.47 2b1q h GLN 52 CO -0.12 0.64 -0.34 0.87 -1.93 0.00 0.00 178.83 177.95 2b1q h LYS 53 N 0.99 0.64 -0.16 1.69 1.57 -1.17 0.20 116.57 120.32 2b1q h LYS 53 Ca 0.40 -0.30 -0.04 0.00 -1.87 0.00 0.00 60.65 58.84 2b1q h LYS 53 Cb 0.23 -0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.52 2b1q h LYS 53 CO -0.19 0.89 -0.06 1.96 -0.57 0.00 0.00 179.45 181.48 2b1q h GLN 54 N 0.54 0.33 -0.02 3.15 4.20 -0.54 -3.34 115.11 119.43 2b1q h GLN 54 Ca 0.06 -0.13 0.00 0.00 0.06 0.00 0.00 58.65 58.64 2b1q h GLN 54 Cb 0.84 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.61 2b1q h GLN 54 CO 0.07 0.62 -0.10 1.33 -0.67 0.00 0.00 178.83 180.08 2b1q n VAL 55 N -4.65 0.00 -2.63 -0.54 0.24 -0.54 -5.01 118.33 105.19 2b1q n VAL 55 Ca -0.05 -0.45 -0.07 0.00 -2.04 0.00 0.00 64.34 61.73 2b1q n VAL 55 Cb 0.28 1.28 0.03 0.00 -1.47 0.00 0.00 33.84 33.96 2b1q n VAL 55 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2b1q n GLY 56 N 0.96 0.28 3.74 7.63 0.00 0.62 -4.98 105.19 113.43 2b1q n GLY 56 Ca 0.08 -0.32 -0.42 0.00 0.00 0.00 0.00 46.02 45.37 2b1q n GLY 56 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2b1q s LEU 57 N -3.33 4.37 0.54 0.99 1.43 -0.70 -4.96 118.68 117.02 2b1q s LEU 57 Ca 0.08 2.69 -0.20 0.00 -1.03 0.00 0.00 54.13 55.67 2b1q s LEU 57 Cb -0.03 -3.61 -0.05 0.00 0.03 0.00 0.00 46.19 42.52 2b1q s LEU 57 CO 0.25 -0.78 1.17 0.00 0.23 0.00 0.00 176.35 177.21 2b1q s MET 58 N 0.17 3.31 0.01 1.70 0.23 -1.26 -4.91 119.30 118.54 2b1q s MET 58 Ca 0.64 1.73 -0.30 0.00 -1.03 0.00 0.00 55.69 56.73 2b1q s MET 58 Cb -0.44 -2.07 -0.07 0.00 -1.53 0.00 0.00 34.83 30.73 2b1q s MET 58 CO 0.40 -0.91 1.65 -2.00 -2.03 0.00 0.00 175.02 172.12 2b1q s GLU 59 N -3.17 4.20 0.72 3.16 2.56 -1.26 -5.01 118.70 119.90 2b1q s GLU 59 Ca 0.72 2.26 -0.05 0.00 0.00 0.00 0.00 54.97 57.90 2b1q s GLU 59 Cb -0.27 -3.80 0.09 0.00 2.00 0.00 0.00 34.13 32.15 2b1q s GLU 59 CO 0.31 -0.78 1.02 -1.25 -0.56 0.00 0.00 175.26 174.00 2b1q s PRO 60 N 3.32 1.91 -0.03 4.30 0.04 -1.26 -4.98 135.00 138.30 2b1q s PRO 60 Ca 0.74 -0.55 0.07 0.00 0.04 0.00 0.00 61.00 61.29 2b1q s PRO 60 Cb -0.36 -2.21 -0.24 0.00 0.04 0.00 0.00 34.50 31.73 2b1q s PRO 60 CO 0.31 -1.38 0.72 -0.44 0.04 0.00 0.00 177.00 176.26 2b1q h ASP 61 N -0.63 0.12 -5.05 6.66 5.19 -0.57 -3.48 116.42 118.66 2b1q h ASP 61 Ca -0.42 -0.23 -0.16 0.00 -0.62 0.00 0.00 57.03 55.60 2b1q h ASP 61 Cb 1.29 -0.04 -0.17 0.00 0.18 0.00 0.00 39.33 40.59 2b1q h ASP 61 CO 0.51 1.20 -0.69 -0.31 -3.12 0.00 0.00 179.24 176.83 2b1q s TYR 62 N -2.61 0.48 -0.16 4.55 2.02 -0.75 -4.03 117.35 116.84 2b1q s TYR 62 Ca -0.07 -0.83 0.00 0.00 -0.37 0.00 0.00 57.07 55.80 2b1q s TYR 62 Cb 0.08 -0.33 0.03 0.00 -0.40 0.00 0.00 41.96 41.33 2b1q s TYR 62 CO 0.82 -0.27 -0.13 -1.58 -1.57 0.00 0.00 175.55 172.82 2b1q s TRP 63 N -2.86 2.25 -0.65 2.71 0.52 -0.90 -2.47 118.94 117.54 2b1q s TRP 63 Ca -0.02 -1.34 -0.08 0.00 0.02 0.00 0.00 56.10 54.69 2b1q s TRP 63 Cb 0.00 -1.61 0.17 0.00 -1.15 0.00 0.00 33.47 30.88 2b1q s TRP 63 CO -0.06 -0.69 0.52 -0.51 0.02 0.00 0.00 176.95 176.23 2b1q s LEU 64 N 1.46 5.82 0.46 2.99 1.43 0.11 -0.84 118.68 130.11 2b1q s LEU 64 Ca 0.03 -2.59 0.06 0.00 -1.03 0.00 0.00 54.13 50.60 2b1q s LEU 64 Cb -0.14 -2.00 0.02 0.00 0.03 0.00 0.00 46.19 44.10 2b1q s LEU 64 CO -0.10 -0.51 0.64 0.42 0.23 0.00 0.00 176.35 177.03 2b1q s THR 65 N 0.33 2.93 -1.37 5.49 -4.23 -0.33 -1.26 115.64 117.20 2b1q s THR 65 Ca 0.15 -0.88 -0.03 0.00 -1.18 0.00 0.00 61.69 59.75 2b1q s THR 65 Cb -0.18 -3.02 0.00 0.00 1.34 0.00 0.00 72.50 70.64 2b1q s THR 65 CO -0.05 -0.01 0.46 0.00 -0.54 0.00 0.00 174.62 174.48 2b1q n ALA 66 N -2.01 -2.08 -3.43 3.99 0.00 0.98 -0.67 120.51 117.29 2b1q n ALA 66 Ca 0.08 -0.28 -0.25 0.00 0.00 0.00 0.00 53.44 52.99 2b1q n ALA 66 Cb 0.59 -1.77 0.04 0.00 0.00 0.00 0.00 19.45 18.31 2b1q n ALA 66 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2b1q n VAL 67 N -4.39 -2.21 -1.03 0.00 0.31 0.32 -1.90 118.33 109.43 2b1q n VAL 67 Ca -0.29 0.00 -0.01 0.00 -0.01 0.00 0.00 64.34 64.03 2b1q n VAL 67 Cb 0.67 -3.32 -0.01 0.00 -0.91 0.00 0.00 33.84 30.28 2b1q n VAL 67 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2b1q n GLY 68 N -1.68 0.50 0.12 2.92 0.00 0.15 -2.97 105.19 104.22 2b1q n GLY 68 Ca -0.03 -0.69 0.12 0.00 0.00 0.00 0.00 46.02 45.43 2b1q n GLY 68 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2b1q h SER 69 N 0.00 0.00 -3.72 1.61 4.64 -0.51 -3.39 113.55 112.18 2b1q h SER 69 Ca -0.02 -0.07 -0.32 0.00 -0.47 0.00 0.00 61.79 60.91 2b1q h SER 69 Cb 0.10 0.00 -0.30 0.00 -0.31 0.00 0.00 62.40 61.89 2b1q h SER 69 CO 0.04 0.03 -0.75 -1.61 -0.87 0.00 0.00 176.83 173.67 2b1q s GLU 70 N -3.17 0.33 -0.12 4.77 2.02 -1.09 -4.87 118.70 116.57 2b1q s GLU 70 Ca 0.07 -0.07 0.03 0.00 0.02 0.00 0.00 54.97 55.03 2b1q s GLU 70 Cb 0.11 -0.38 0.01 0.00 0.10 0.00 0.00 34.13 33.97 2b1q s GLU 70 CO 0.67 0.00 -0.21 0.42 0.02 0.00 0.00 175.26 176.16 2b1q s ILE 71 N 0.31 1.93 -0.20 -1.63 1.01 -1.26 -1.19 121.20 120.17 2b1q s ILE 71 Ca -0.03 -0.92 -0.03 0.00 0.00 0.00 0.00 60.65 59.67 2b1q s ILE 71 Cb -0.06 -1.70 -0.01 0.00 0.01 0.00 0.00 42.46 40.70 2b1q s ILE 71 CO -0.01 0.53 -0.05 -0.31 0.00 0.00 0.00 174.94 175.10 2b1q s TYR 72 N 0.67 2.95 0.47 3.97 2.02 -0.02 -0.38 117.35 127.03 2b1q s TYR 72 Ca -0.11 -0.76 0.03 0.00 -0.37 0.00 0.00 57.07 55.86 2b1q s TYR 72 Cb -0.16 -2.05 0.01 0.00 -0.40 0.00 0.00 41.96 39.36 2b1q s TYR 72 CO 0.02 -0.40 0.67 -1.01 -1.57 0.00 0.00 175.55 173.26 2b1q s HIS 73 N 1.12 3.01 0.39 2.71 3.76 0.22 -2.11 115.29 124.38 2b1q s HIS 73 Ca 0.02 -0.02 0.12 0.00 -0.15 0.00 0.00 55.06 55.02 2b1q s HIS 73 Cb -0.15 -2.45 0.93 0.00 1.11 0.00 0.00 32.58 32.03 2b1q s HIS 73 CO -0.00 -0.51 1.91 -1.35 -0.85 0.00 0.00 174.74 173.93 2b1q h PRO 74 N 0.38 0.54 -0.00 8.40 0.11 -1.96 0.15 132.00 139.62 2b1q h PRO 74 Ca -0.44 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.64 2b1q h PRO 74 Cb 1.27 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.26 2b1q h PRO 74 CO 0.53 0.35 -0.04 0.39 -0.21 0.00 0.00 178.00 179.02 2b1q n GLU 75 N -4.51 0.79 0.00 1.05 -0.58 -1.26 -5.03 120.64 111.10 2b1q n GLU 75 Ca 0.15 -0.17 0.00 0.00 -0.42 0.00 0.00 57.16 56.72 2b1q n GLU 75 Cb 0.47 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.84 2b1q n GLU 75 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2b1q n GLY 76 N 1.20 0.80 3.66 0.62 0.00 0.53 -5.08 105.19 106.92 2b1q n GLY 76 Ca 0.17 -2.16 -0.44 0.00 0.00 0.00 0.00 46.02 43.59 2b1q n GLY 76 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2b1q n LEU 77 N 0.00 2.99 -4.53 0.99 7.94 -1.26 -0.61 117.00 122.51 2b1q n LEU 77 Ca 0.00 1.18 -0.42 0.00 -1.11 0.00 0.00 56.01 55.65 2b1q n LEU 77 Cb 0.00 -1.42 -0.03 0.00 0.53 0.00 0.00 43.42 42.50 2b1q n LEU 77 CO 0.00 -0.68 0.98 -0.62 -1.11 0.00 0.00 177.39 175.96 2b1q s ASP 78 N -0.11 6.27 0.42 1.96 -1.08 0.48 -4.85 116.67 119.77 2b1q s ASP 78 Ca 0.62 -0.39 0.22 0.00 -0.52 0.00 0.00 52.55 52.47 2b1q s ASP 78 Cb -0.63 -2.50 0.88 0.00 -1.46 0.00 0.00 42.92 39.20 2b1q s ASP 78 CO 0.57 -1.54 1.82 -0.61 0.52 0.00 0.00 175.17 175.92 2b1q h GLN 79 N 9.66 0.00 -0.16 4.34 5.75 -1.90 -2.47 115.11 130.33 2b1q h GLN 79 Ca -0.27 0.00 -0.04 0.00 -0.15 0.00 0.00 58.65 58.19 2b1q h GLN 79 Cb 1.06 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 29.61 2b1q h GLN 79 CO 1.20 0.27 -0.05 1.25 -2.65 0.00 0.00 178.83 178.85 2b1q h HIS 80 N 0.00 0.36 -0.76 3.99 2.76 -1.99 -1.64 115.15 117.87 2b1q h HIS 80 Ca -0.00 -0.08 0.01 0.00 -2.20 0.00 0.00 60.37 58.09 2b1q h HIS 80 Cb 0.76 -0.09 -0.04 0.00 1.55 0.00 0.00 27.41 29.59 2b1q h HIS 80 CO 0.00 0.61 0.50 2.35 -1.30 0.00 0.00 177.93 180.09 2b1q h TRP 81 N 0.01 0.96 -0.31 5.26 2.91 -1.94 -0.40 115.95 122.44 2b1q h TRP 81 Ca 0.04 0.02 -0.00 0.00 1.13 0.00 0.00 58.89 60.08 2b1q h TRP 81 Cb 0.50 -0.32 -0.01 0.00 -0.51 0.00 0.00 29.16 28.81 2b1q h TRP 81 CO 0.06 0.61 0.18 0.00 -1.03 0.00 0.00 178.44 178.25 2b1q h ALA 82 N 1.28 0.40 -0.52 2.65 0.00 -1.32 -0.61 119.26 121.14 2b1q h ALA 82 Ca 0.28 -0.06 -0.08 0.00 0.00 0.00 0.00 54.91 55.05 2b1q h ALA 82 Cb -0.11 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 2b1q h ALA 82 CO -0.06 -0.08 0.01 -0.44 0.00 0.00 0.00 179.25 178.68 2b1q h ASP 83 N 0.39 0.83 -0.67 0.00 3.32 -1.02 -1.25 116.42 118.03 2b1q h ASP 83 Ca 0.11 -0.20 0.00 0.00 0.02 0.00 0.00 57.03 56.96 2b1q h ASP 83 Cb 0.04 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 39.34 2b1q h ASP 83 CO -0.02 0.89 0.42 0.22 -1.72 0.00 0.00 179.24 179.03 2b1q h TYR 84 N 0.80 0.86 0.00 4.55 5.03 -0.69 -2.49 116.97 125.03 2b1q h TYR 84 Ca 0.16 0.01 -0.11 0.00 2.58 0.00 0.00 58.73 61.37 2b1q h TYR 84 Cb 0.46 -0.29 -0.02 0.00 1.55 0.00 0.00 36.73 38.44 2b1q h TYR 84 CO 0.03 0.56 -0.50 -0.07 -1.32 0.00 0.00 178.16 176.86 2b1q h LEU 85 N 0.91 0.00 -0.89 2.82 3.38 -0.77 -3.22 115.31 117.54 2b1q h LEU 85 Ca 0.24 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 58.10 2b1q h LEU 85 Cb -0.07 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.67 2b1q h LEU 85 CO -0.05 0.50 -0.54 0.28 0.09 0.00 0.00 178.44 178.72 2b1q h SER 86 N 0.00 0.00 -2.26 -0.43 0.02 -0.80 -3.40 113.55 106.68 2b1q h SER 86 Ca -0.01 0.00 -0.55 0.00 -0.84 0.00 0.00 61.79 60.39 2b1q h SER 86 Cb 1.05 0.00 0.02 0.00 0.14 0.00 0.00 62.40 63.61 2b1q h SER 86 CO 0.07 0.54 1.23 1.21 -1.14 0.00 0.00 176.83 178.74 2b1q n GLU 87 N -3.83 2.68 -0.50 3.45 2.13 -1.06 -1.79 120.64 121.73 2b1q n GLU 87 Ca -0.01 0.97 0.00 0.00 0.66 0.00 0.00 57.16 58.78 2b1q n GLU 87 Cb 0.56 -2.96 0.00 0.00 0.27 0.00 0.00 31.44 29.31 2b1q n GLU 87 CO 0.00 0.00 0.00 0.72 -0.41 0.00 0.00 177.13 177.44 2b1q n HIS 88 N 7.70 0.00 -2.60 4.31 8.25 -1.26 -5.00 115.22 126.62 2b1q n HIS 88 Ca 0.21 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.26 2b1q n HIS 88 Cb 0.39 -0.27 -0.03 0.00 1.12 0.00 0.00 29.99 31.20 2b1q n HIS 88 CO 0.00 0.00 0.00 -0.46 0.64 0.00 0.00 176.34 176.52 2b1q s TRP 89 N -3.02 3.61 -0.59 4.41 -0.11 -0.74 -4.52 118.94 117.98 2b1q s TRP 89 Ca 0.00 1.59 0.04 0.00 1.22 0.00 0.00 56.10 58.95 2b1q s TRP 89 Cb 0.00 -3.22 0.16 0.00 -1.50 0.00 0.00 33.47 28.92 2b1q s TRP 89 CO 0.00 -0.42 0.42 -0.65 -4.62 0.00 0.00 176.95 171.68 2b1q s GLN 90 N 0.69 1.90 0.13 5.86 -1.52 -1.26 -5.00 119.66 120.46 2b1q s GLN 90 Ca 0.53 -2.85 -0.20 0.00 -1.95 0.00 0.00 55.36 50.89 2b1q s GLN 90 Cb -0.25 -2.76 -0.03 0.00 -0.22 0.00 0.00 33.01 29.75 2b1q s GLN 90 CO 0.30 -1.30 1.72 -0.09 -0.25 0.00 0.00 175.29 175.67 2b1q h ARG 91 N 5.63 0.06 -0.54 2.91 2.43 -1.95 -3.00 114.38 119.92 2b1q h ARG 91 Ca 0.16 -0.00 0.06 0.00 -0.81 0.00 0.00 59.98 59.38 2b1q h ARG 91 Cb 0.82 -0.01 -0.05 0.00 -0.42 0.00 0.00 29.97 30.30 2b1q h ARG 91 CO 0.60 0.04 0.26 -0.44 -1.51 0.00 0.00 179.97 178.92 2b1q h ASP 92 N 0.06 0.36 -0.38 -3.80 5.19 -1.96 -0.57 116.42 115.32 2b1q h ASP 92 Ca 0.10 0.04 -0.01 0.00 -0.62 0.00 0.00 57.03 56.53 2b1q h ASP 92 Cb 0.12 -0.02 -0.02 0.00 0.18 0.00 0.00 39.33 39.59 2b1q h ASP 92 CO -0.17 0.24 0.19 0.40 -3.12 0.00 0.00 179.24 176.79 2b1q h ILE 93 N 0.50 1.16 -0.70 0.35 2.04 -1.99 -0.99 117.51 117.89 2b1q h ILE 93 Ca 0.25 -0.43 -0.07 0.00 1.00 0.00 0.00 64.86 65.61 2b1q h ILE 93 Cb 0.19 0.75 -0.03 0.00 -0.74 0.00 0.00 36.82 36.99 2b1q h ILE 93 CO -0.19 0.17 0.17 -0.07 0.00 0.00 0.00 178.15 178.22 2b1q h LEU 94 N 0.48 1.06 -0.74 1.44 3.38 -1.35 -2.53 115.31 117.05 2b1q h LEU 94 Ca 0.13 -0.24 -0.06 0.00 0.09 0.00 0.00 57.88 57.81 2b1q h LEU 94 Cb 0.09 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.53 2b1q h LEU 94 CO -0.02 1.02 0.25 -0.61 0.09 0.00 0.00 178.44 179.17 2b1q h GLN 95 N 1.05 1.14 -0.56 1.13 4.15 -0.89 -0.86 115.11 120.27 2b1q h GLN 95 Ca 0.22 -0.24 0.01 0.00 0.77 0.00 0.00 58.65 59.41 2b1q h GLN 95 Cb 0.38 -0.17 -0.03 0.00 0.21 0.00 0.00 27.48 27.87 2b1q h GLN 95 CO 0.00 0.96 0.37 0.00 -1.93 0.00 0.00 178.83 178.23 2b1q h ALA 96 N 1.12 0.72 0.18 3.38 0.00 -0.90 0.24 119.26 124.00 2b1q h ALA 96 Ca 0.24 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 2b1q h ALA 96 Cb 0.29 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.86 2b1q h ALA 96 CO -0.01 0.13 -0.09 0.82 0.00 0.00 0.00 179.25 180.11 2b1q h ILE 97 N 0.75 0.91 -0.70 0.00 2.04 -1.13 -2.88 117.51 116.50 2b1q h ILE 97 Ca 0.21 -0.42 -0.00 0.00 1.00 0.00 0.00 64.86 65.65 2b1q h ILE 97 Cb -0.06 1.16 -0.03 0.00 -0.74 0.00 0.00 36.82 37.14 2b1q h ILE 97 CO -0.06 0.10 0.43 0.00 0.00 0.00 0.00 178.15 178.62 2b1q h ALA 98 N 0.33 0.89 -0.20 1.87 0.00 -0.97 -1.95 119.26 119.22 2b1q h ALA 98 Ca -0.02 -0.07 0.06 0.00 0.00 0.00 0.00 54.91 54.87 2b1q h ALA 98 Cb 0.35 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 2b1q h ALA 98 CO 0.04 0.35 0.21 -0.44 0.00 0.00 0.00 179.25 179.41 2b1q h ASP 99 N 0.95 0.00 0.57 0.00 3.32 -0.48 -1.59 116.42 119.19 2b1q h ASP 99 Ca 0.25 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.30 2b1q h ASP 99 Cb -0.05 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.50 2b1q h ASP 99 CO -0.05 0.00 0.00 0.61 -1.72 0.00 0.00 179.24 178.08 2b1q n GLY 100 N -1.43 -1.13 3.58 2.75 0.00 -0.73 -4.70 105.19 103.53 2b1q n GLY 100 Ca 0.02 -0.09 -0.42 0.00 0.00 0.00 0.00 46.02 45.53 2b1q n GLY 100 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2b1q s PHE 101 N -2.76 3.14 0.41 1.61 0.40 -0.60 -4.94 117.98 115.23 2b1q s PHE 101 Ca 0.17 0.48 0.13 0.00 -0.60 0.00 0.00 56.93 57.11 2b1q s PHE 101 Cb 0.15 -3.27 0.97 0.00 0.51 0.00 0.00 43.02 41.37 2b1q s PHE 101 CO 0.37 -0.67 1.92 1.49 0.70 0.00 0.00 175.22 179.03 2b1q h GLU 102 N 8.44 0.49 0.00 0.44 4.81 -1.88 -1.09 114.58 125.79 2b1q h GLU 102 Ca -0.25 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 58.95 2b1q h GLU 102 Cb 1.10 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 30.37 2b1q h GLU 102 CO 0.88 0.33 0.00 0.00 -0.73 0.00 0.00 179.01 179.48 2b1q n ALA 103 N -2.50 1.83 -2.79 2.92 0.00 -1.26 -4.73 120.51 113.98 2b1q n ALA 103 Ca 0.14 -0.01 -0.36 0.00 0.00 0.00 0.00 53.44 53.21 2b1q n ALA 103 Cb 0.46 -1.35 -0.08 0.00 0.00 0.00 0.00 19.45 18.48 2b1q n ALA 103 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2b1q s LEU 104 N -3.67 4.00 -0.07 0.00 1.43 -0.41 -0.78 118.68 119.18 2b1q s LEU 104 Ca 0.07 0.29 0.03 0.00 -1.03 0.00 0.00 54.13 53.49 2b1q s LEU 104 Cb 0.11 -1.96 0.01 0.00 0.03 0.00 0.00 46.19 44.38 2b1q s LEU 104 CO 0.38 0.36 -0.16 -0.75 0.23 0.00 0.00 176.35 176.41 2b1q s LYS 105 N -0.74 2.06 0.44 1.70 2.20 -0.76 -4.85 119.74 119.79 2b1q s LYS 105 Ca 0.12 -0.57 -0.25 0.00 -0.36 0.00 0.00 55.97 54.91 2b1q s LYS 105 Cb -0.12 -1.66 -0.09 0.00 -1.51 0.00 0.00 37.83 34.45 2b1q s LYS 105 CO 0.03 0.11 1.39 -2.30 -0.36 0.00 0.00 175.35 174.21 2b1q n PRO 106 N 3.60 2.16 -1.91 4.03 -0.02 -1.26 -0.49 135.00 141.10 2b1q n PRO 106 Ca -0.21 0.77 -0.29 0.00 -2.02 0.00 0.00 63.50 61.75 2b1q n PRO 106 Cb 0.52 -2.56 0.07 0.00 -0.02 0.00 0.00 33.50 31.51 2b1q n PRO 106 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 2b1q s GLN 107 N -2.37 2.37 0.67 -0.52 -0.21 -0.40 -4.74 119.66 114.46 2b1q s GLN 107 Ca 0.61 0.25 -0.17 0.00 0.02 0.00 0.00 55.36 56.07 2b1q s GLN 107 Cb -0.47 -1.99 -0.02 0.00 1.00 0.00 0.00 33.01 31.53 2b1q s GLN 107 CO 0.58 -1.33 0.95 0.43 -2.12 0.00 0.00 175.29 173.80 2b1q n SER 108 N -3.16 0.57 -0.34 5.90 7.64 -1.26 -4.86 113.62 118.11 2b1q n SER 108 Ca 0.07 0.73 0.13 0.00 1.01 0.00 0.00 58.87 60.81 2b1q n SER 108 Cb 0.59 -1.39 0.32 0.00 -1.01 0.00 0.00 64.21 62.72 2b1q n SER 108 CO 0.00 0.00 0.00 -0.65 -3.01 0.00 0.00 175.04 171.38 2b1q h PRO 109 N 0.09 0.68 0.00 1.43 0.11 -1.96 0.36 132.00 132.70 2b1q h PRO 109 Ca -0.48 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.59 2b1q h PRO 109 Cb 1.35 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.31 2b1q h PRO 109 CO 0.49 0.45 0.00 1.28 -0.21 0.00 0.00 178.00 180.00 2b1q n LEU 110 N -4.82 0.00 -0.43 2.35 4.77 -1.26 -0.73 117.00 116.89 2b1q n LEU 110 Ca 0.23 0.49 0.12 0.00 -0.03 0.00 0.00 56.01 56.82 2b1q n LEU 110 Cb 0.59 -0.49 0.21 0.00 -2.33 0.00 0.00 43.42 41.40 2b1q n LEU 110 CO 0.20 -0.39 0.53 -0.62 -1.33 0.00 0.00 177.39 175.78 2b1q n GLU 111 N -1.49 1.18 -4.00 3.23 -0.58 0.12 -4.87 120.64 114.24 2b1q n GLU 111 Ca 0.02 -0.86 -0.26 0.00 -0.42 0.00 0.00 57.16 55.64 2b1q n GLU 111 Cb 0.07 -1.48 -0.04 0.00 -0.57 0.00 0.00 31.44 29.42 2b1q n GLU 111 CO 0.00 0.00 0.00 -0.65 -0.48 0.00 0.00 177.13 176.00 2b1q s GLN 112 N -2.41 3.25 0.27 3.49 -1.52 0.09 -4.73 119.66 118.10 2b1q s GLN 112 Ca 0.23 -0.70 -0.13 0.00 -1.95 0.00 0.00 55.36 52.81 2b1q s GLN 112 Cb 0.19 -2.85 0.00 0.00 -0.22 0.00 0.00 33.01 30.14 2b1q s GLN 112 CO 0.51 0.50 0.54 0.54 -0.25 0.00 0.00 175.29 177.13 2b1q s ASN 113 N -3.22 -0.02 0.53 5.90 2.20 -1.04 -4.99 114.94 114.29 2b1q s ASN 113 Ca 0.33 -0.95 0.32 0.00 -0.94 0.00 0.00 52.86 51.62 2b1q s ASN 113 Cb -0.11 0.63 1.46 0.00 -2.00 0.00 0.00 41.25 41.24 2b1q s ASN 113 CO 0.27 -1.23 1.87 -0.65 -2.94 0.00 0.00 177.10 174.42 2b1q h PRO 114 N 2.18 0.03 -0.24 3.55 0.11 -1.99 -1.83 132.00 133.82 2b1q h PRO 114 Ca -0.26 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.85 2b1q h PRO 114 Cb 1.25 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.35 2b1q h PRO 114 CO 0.34 0.02 0.00 0.91 -0.21 0.00 0.00 178.00 179.06 2b1q n TRP 115 N -4.28 0.76 -3.67 0.65 8.01 -1.26 -4.80 117.44 112.85 2b1q n TRP 115 Ca 0.20 -0.83 -0.15 0.00 -1.31 0.00 0.00 57.50 55.42 2b1q n TRP 115 Cb 1.01 -0.25 -0.14 0.00 -2.01 0.00 0.00 31.31 29.91 2b1q n TRP 115 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.69 176.89 2b1q s LYS 116 N -2.53 0.10 -0.22 -0.99 2.20 -0.69 -4.23 119.74 113.38 2b1q s LYS 116 Ca 0.37 0.64 0.02 0.00 -0.36 0.00 0.00 55.97 56.65 2b1q s LYS 116 Cb 0.30 -0.14 0.04 0.00 -1.51 0.00 0.00 37.83 36.51 2b1q s LYS 116 CO 0.09 -0.28 -0.15 0.42 -0.36 0.00 0.00 175.35 175.07 2b1q s ILE 117 N 2.22 2.10 0.08 5.43 1.01 -0.77 -2.50 121.20 128.76 2b1q s ILE 117 Ca 0.01 -1.29 0.09 0.00 0.00 0.00 0.00 60.65 59.46 2b1q s ILE 117 Cb -0.12 -2.06 -0.03 0.00 0.01 0.00 0.00 42.46 40.26 2b1q s ILE 117 CO -0.07 0.24 -0.25 -0.44 0.00 0.00 0.00 174.94 174.42 2b1q s SER 118 N 1.20 3.04 0.20 3.58 0.01 -1.26 0.17 113.70 120.65 2b1q s SER 118 Ca -0.02 -0.64 -0.01 0.00 1.31 0.00 0.00 55.95 56.59 2b1q s SER 118 Cb -0.17 -0.24 -0.04 0.00 0.21 0.00 0.00 66.02 65.79 2b1q s SER 118 CO -0.09 0.20 0.12 -0.31 0.41 0.00 0.00 173.24 173.57 2b1q s TYR 119 N -0.93 1.19 -0.09 2.43 1.51 0.30 -1.27 117.35 120.49 2b1q s TYR 119 Ca 0.11 -1.35 0.03 0.00 -1.01 0.00 0.00 57.07 54.86 2b1q s TYR 119 Cb -0.10 -0.60 -0.01 0.00 -0.11 0.00 0.00 41.96 41.15 2b1q s TYR 119 CO 0.04 -0.60 -0.20 -1.01 -1.11 0.00 0.00 175.55 172.67 2b1q s HIS 120 N -4.11 2.62 -0.01 2.71 3.76 0.35 -1.18 115.29 119.44 2b1q s HIS 120 Ca 0.38 -0.74 -0.25 0.00 -0.15 0.00 0.00 55.06 54.30 2b1q s HIS 120 Cb 0.07 -1.71 -0.04 0.00 1.11 0.00 0.00 32.58 32.00 2b1q s HIS 120 CO 0.12 -0.24 0.76 -1.17 -0.85 0.00 0.00 174.74 173.36 2b1q s LEU 121 N 0.10 4.38 0.12 0.89 2.96 0.84 -1.83 118.68 126.13 2b1q s LEU 121 Ca -0.09 1.36 -0.34 0.00 -0.22 0.00 0.00 54.13 54.84 2b1q s LEU 121 Cb -0.15 -3.20 -0.14 0.00 0.50 0.00 0.00 46.19 43.20 2b1q s LEU 121 CO 0.06 -0.07 1.62 -0.67 -1.32 0.00 0.00 176.35 175.96 2b1q n ASP 122 N 3.33 3.08 0.19 3.68 -0.08 0.04 -4.84 116.55 121.96 2b1q n ASP 122 Ca -0.01 1.07 0.16 0.00 -1.51 0.00 0.00 54.79 54.50 2b1q n ASP 122 Cb 0.51 -1.41 0.80 0.00 2.34 0.00 0.00 41.12 43.36 2b1q n ASP 122 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 2b1q h PRO 123 N 6.39 0.00 -0.01 -0.67 0.11 -1.93 -1.17 132.00 134.72 2b1q h PRO 123 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 2b1q h PRO 123 Cb 1.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.37 2b1q h PRO 123 CO 0.89 0.00 -0.25 1.04 -0.21 0.00 0.00 178.00 179.48 2b1q n GLN 124 N -3.96 1.26 -2.84 1.05 1.13 -1.26 -4.94 117.38 107.82 2b1q n GLN 124 Ca 0.02 -0.88 -0.30 0.00 -1.94 0.00 0.00 57.00 53.89 2b1q n GLN 124 Cb 0.31 -1.48 -0.03 0.00 0.11 0.00 0.00 30.24 29.15 2b1q n GLN 124 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2b1q s ALA 125 N -2.35 3.33 -0.04 -1.58 0.00 -0.44 -5.03 121.76 115.64 2b1q s ALA 125 Ca 0.25 -0.17 -0.30 0.00 0.00 0.00 0.00 51.96 51.75 2b1q s ALA 125 Cb 0.19 -2.73 -0.03 0.00 0.00 0.00 0.00 23.12 20.55 2b1q s ALA 125 CO 0.48 -0.01 1.18 0.00 0.00 0.00 0.00 175.76 177.41 2b1q h PRO 127 N 7.35 0.00 -0.01 0.00 0.11 -1.96 -0.82 132.00 136.67 2b1q h PRO 127 Ca -0.35 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.76 2b1q h PRO 127 Cb 1.17 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.28 2b1q h PRO 127 CO 0.87 0.00 0.19 1.15 -0.21 0.00 0.00 178.00 180.00 2b1q h THR 128 N 0.00 0.03 0.00 -1.15 2.02 -2.03 0.05 112.91 111.84 2b1q h THR 128 Ca 0.18 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.36 2b1q h THR 128 Cb 1.13 0.81 -0.00 0.00 -1.74 0.00 0.00 68.15 68.35 2b1q h THR 128 CO -0.00 0.00 -0.04 1.62 0.37 0.00 0.00 175.52 177.47 2b1q h VAL 129 N 0.00 0.65 -0.35 3.16 3.04 -1.54 -0.96 116.25 120.25 2b1q h VAL 129 Ca 0.01 -0.15 -0.10 0.00 -1.01 0.00 0.00 66.70 65.45 2b1q h VAL 129 Cb 0.39 1.09 -0.02 0.00 -2.01 0.00 0.00 31.29 30.75 2b1q h VAL 129 CO -0.00 0.04 -0.19 0.40 -1.01 0.00 0.00 177.57 176.80 2b1q h ILE 130 N 0.00 1.26 -0.38 3.17 1.08 -1.21 -1.04 117.51 120.38 2b1q h ILE 130 Ca -0.00 -1.25 -0.04 0.00 -0.39 0.00 0.00 64.86 63.18 2b1q h ILE 130 Cb 0.09 1.20 -0.02 0.00 -3.07 0.00 0.00 36.82 35.02 2b1q h ILE 130 CO 0.00 0.41 0.08 0.44 -0.69 0.00 0.00 178.15 178.40 2b1q h ASP 131 N 0.59 0.59 -0.39 1.72 3.32 -1.33 0.17 116.42 121.09 2b1q h ASP 131 Ca 0.09 -0.24 0.00 0.00 0.02 0.00 0.00 57.03 56.90 2b1q h ASP 131 Cb 0.66 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 40.03 2b1q h ASP 131 CO 0.05 0.68 0.25 1.56 -1.72 0.00 0.00 179.24 180.06 2b1q h GLN 132 N 0.48 0.52 0.04 3.56 4.20 -1.29 -0.84 115.11 121.78 2b1q h GLN 132 Ca 0.12 -0.04 0.01 0.00 0.06 0.00 0.00 58.65 58.80 2b1q h GLN 132 Cb 0.33 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 27.98 2b1q h GLN 132 CO 0.00 0.37 -0.07 1.25 -0.67 0.00 0.00 178.83 179.71 2b1q h LEU 133 N 0.53 -0.20 -0.18 1.46 5.85 -1.00 -0.72 115.31 121.04 2b1q h LEU 133 Ca 0.14 0.03 0.05 0.00 0.84 0.00 0.00 57.88 58.94 2b1q h LEU 133 Cb -0.04 0.08 -0.05 0.00 0.37 0.00 0.00 40.66 41.02 2b1q h LEU 133 CO -0.03 -0.11 -0.14 0.74 -0.34 0.00 0.00 178.44 178.56 2b1q h THR 134 N -0.15 0.61 -0.76 1.05 2.02 -0.67 0.84 112.91 115.85 2b1q h THR 134 Ca 0.02 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.19 2b1q h THR 134 Cb 0.16 0.61 -0.04 0.00 -1.74 0.00 0.00 68.15 67.15 2b1q h THR 134 CO -0.05 0.00 0.46 -0.08 0.37 0.00 0.00 175.52 176.22 2b1q h GLU 135 N -0.14 1.03 -0.60 6.66 4.81 -1.02 -0.50 114.58 124.82 2b1q h GLU 135 Ca 0.11 -0.09 -0.07 0.00 -0.13 0.00 0.00 59.36 59.18 2b1q h GLU 135 Cb 0.30 -0.22 -0.02 0.00 0.63 0.00 0.00 28.75 29.44 2b1q h GLU 135 CO -0.27 0.72 0.11 1.98 -0.73 0.00 0.00 179.01 180.82 2b1q h MET 136 N 1.03 0.98 -0.36 1.92 4.05 -0.59 -2.09 114.93 119.88 2b1q h MET 136 Ca 0.27 -0.26 -0.12 0.00 -0.28 0.00 0.00 59.70 59.32 2b1q h MET 136 Cb -0.04 -0.12 -0.01 0.00 -0.80 0.00 0.00 31.60 30.63 2b1q h MET 136 CO -0.05 0.92 -0.23 -0.07 0.23 0.00 0.00 176.91 177.71 2b1q h LEU 137 N 0.89 0.82 -0.61 3.39 3.38 -0.54 -3.18 115.31 119.47 2b1q h LEU 137 Ca 0.18 -0.43 -0.00 0.00 0.09 0.00 0.00 57.88 57.72 2b1q h LEU 137 Cb 0.41 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.90 2b1q h LEU 137 CO 0.01 1.07 0.37 0.11 0.09 0.00 0.00 178.44 180.09 2b1q h LYS 138 N 0.58 0.83 0.00 1.13 1.79 -1.00 -2.53 116.57 117.36 2b1q h LYS 138 Ca 0.07 -0.08 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 2b1q h LYS 138 Cb 0.79 -0.17 0.00 0.00 -1.58 0.00 0.00 32.23 31.27 2b1q h LYS 138 CO 0.06 0.59 0.00 0.39 -1.08 0.00 0.00 179.45 179.42 2b1q n GLU 139 N -4.61 0.06 0.19 3.15 1.02 -0.80 -0.76 120.64 118.90 2b1q n GLU 139 Ca 0.04 0.25 0.13 0.00 -0.02 0.00 0.00 57.16 57.56 2b1q n GLU 139 Cb 0.06 -1.50 0.33 0.00 -0.02 0.00 0.00 31.44 30.30 2b1q n GLU 139 CO 0.00 0.00 0.00 1.79 1.18 0.00 0.00 177.13 180.10 2b1q h THR 140 N 0.00 0.00 0.00 2.62 1.35 -1.53 -3.46 112.91 111.89 2b1q h THR 140 Ca 0.00 -0.74 0.00 0.00 -0.55 0.00 0.00 66.41 65.12 2b1q h THR 140 Cb 0.04 1.73 0.00 0.00 -1.73 0.00 0.00 68.15 68.19 2b1q h THR 140 CO 0.00 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.88 2b1q n GLY 141 N 0.92 1.76 3.70 5.82 0.00 0.06 -5.01 105.19 112.45 2b1q n GLY 141 Ca 0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 2b1q n GLY 141 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2b1q s ILE 142 N -2.88 4.41 -0.68 -0.61 1.01 -1.26 -4.92 121.20 116.28 2b1q s ILE 142 Ca 0.00 1.73 -0.26 0.00 0.00 0.00 0.00 60.65 62.12 2b1q s ILE 142 Cb 0.00 -4.11 -0.08 0.00 0.01 0.00 0.00 42.46 38.29 2b1q s ILE 142 CO 0.00 0.09 2.21 -2.16 0.00 0.00 0.00 174.94 175.08 2b1q s PRO 143 N 1.40 2.14 0.05 2.79 0.04 -1.26 -4.80 135.00 135.35 2b1q s PRO 143 Ca 0.55 0.66 0.02 0.00 0.04 0.00 0.00 61.00 62.27 2b1q s PRO 143 Cb -0.25 -4.69 -0.03 0.00 0.04 0.00 0.00 34.50 29.57 2b1q s PRO 143 CO 0.26 -3.54 -0.07 0.54 0.04 0.00 0.00 177.00 174.23 2b1q s VAL 144 N 11.96 0.52 0.10 -0.36 0.11 -1.26 -1.92 120.40 129.55 2b1q s VAL 144 Ca 0.85 -1.20 0.05 0.00 -2.93 0.00 0.00 61.98 58.74 2b1q s VAL 144 Cb -0.13 -0.75 -0.03 0.00 -1.53 0.00 0.00 36.38 33.93 2b1q s VAL 144 CO 0.15 -0.47 -0.12 0.00 -3.33 0.00 0.00 175.10 171.32 2b1q s GLN 145 N -1.93 0.89 -0.17 1.54 -2.07 0.11 -4.67 119.66 113.34 2b1q s GLN 145 Ca -0.07 -1.11 -0.01 0.00 -1.82 0.00 0.00 55.36 52.34 2b1q s GLN 145 Cb -0.07 -0.73 -0.01 0.00 -1.09 0.00 0.00 33.01 31.11 2b1q s GLN 145 CO -0.01 0.14 -0.11 0.08 -1.32 0.00 0.00 175.29 174.07 2b1q s VAL 146 N -1.98 3.01 -0.21 3.63 1.01 -1.26 -2.01 120.40 122.59 2b1q s VAL 146 Ca 0.04 -0.64 -0.05 0.00 0.00 0.00 0.00 61.98 61.33 2b1q s VAL 146 Cb -0.06 -2.31 -0.02 0.00 0.00 0.00 0.00 36.38 33.99 2b1q s VAL 146 CO 0.02 0.49 -0.01 -0.63 0.00 0.00 0.00 175.10 174.96 2b1q s ILE 147 N 0.96 3.84 -0.15 2.22 1.01 0.10 -4.96 121.20 124.22 2b1q s ILE 147 Ca -0.02 -0.35 0.01 0.00 0.00 0.00 0.00 60.65 60.30 2b1q s ILE 147 Cb -0.15 -2.74 0.02 0.00 0.01 0.00 0.00 42.46 39.60 2b1q s ILE 147 CO -0.01 0.42 -0.18 0.12 0.00 0.00 0.00 174.94 175.30 2b1q s PHE 148 N 1.11 2.41 0.04 3.97 5.36 -1.26 -0.63 117.98 128.98 2b1q s PHE 148 Ca 0.02 -1.31 -0.06 0.00 -0.96 0.00 0.00 56.93 54.62 2b1q s PHE 148 Cb -0.14 -1.70 -0.01 0.00 -0.34 0.00 0.00 43.02 40.83 2b1q s PHE 148 CO 0.01 -0.65 0.12 -1.54 -1.46 0.00 0.00 175.22 171.69 2b1q s SER 149 N 1.17 0.15 -2.21 6.13 1.04 -0.48 -4.30 113.70 115.20 2b1q s SER 149 Ca -0.00 -0.49 0.00 0.00 0.48 0.00 0.00 55.95 55.94 2b1q s SER 149 Cb -0.14 0.24 0.00 0.00 0.10 0.00 0.00 66.02 66.22 2b1q s SER 149 CO -0.07 -0.51 0.00 -1.20 0.98 0.00 0.00 173.24 172.43 2b1q n SER 150 N 0.78 -5.54 0.00 7.02 7.64 -1.26 -1.17 113.62 121.09 2b1q n SER 150 Ca -0.19 0.50 0.00 0.00 1.01 0.00 0.00 58.87 60.19 2b1q n SER 150 Cb 0.58 -4.87 0.00 0.00 -1.01 0.00 0.00 64.21 58.91 2b1q n SER 150 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2b1q n GLY 151 N -0.42 0.18 0.00 0.23 0.00 -1.26 -4.66 105.19 99.25 2b1q n GLY 151 Ca -0.21 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.81 2b1q n GLY 151 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2b1q n LYS 152 N -0.45 1.40 -3.05 1.61 2.85 -0.84 -4.85 118.16 114.83 2b1q n LYS 152 Ca 0.00 0.00 -0.40 0.00 -1.05 0.00 0.00 58.31 56.86 2b1q n LYS 152 Cb 0.31 -0.29 -0.05 0.00 -0.65 0.00 0.00 35.03 34.35 2b1q n LYS 152 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 2b1q s ASP 153 N -0.60 6.86 -0.17 -5.58 1.01 -0.32 -0.12 116.67 117.76 2b1q s ASP 153 Ca 0.00 1.04 0.01 0.00 0.71 0.00 0.00 52.55 54.31 2b1q s ASP 153 Cb 0.00 -2.39 0.02 0.00 1.01 0.00 0.00 42.92 41.56 2b1q s ASP 153 CO 0.00 -0.23 -0.18 -0.69 0.21 0.00 0.00 175.17 174.29 2b1q s VAL 154 N 1.47 1.90 -0.10 -1.27 1.01 -0.33 -1.38 120.40 121.71 2b1q s VAL 154 Ca 0.34 -0.86 0.04 0.00 0.00 0.00 0.00 61.98 61.50 2b1q s VAL 154 Cb -0.17 -1.74 -0.01 0.00 0.00 0.00 0.00 36.38 34.46 2b1q s VAL 154 CO 0.14 0.50 -0.22 -1.81 0.00 0.00 0.00 175.10 173.71 2b1q s ASP 155 N 1.35 3.30 -0.27 3.32 1.01 0.19 -0.54 116.67 125.04 2b1q s ASP 155 Ca 0.05 -0.49 -0.08 0.00 0.71 0.00 0.00 52.55 52.73 2b1q s ASP 155 Cb -0.13 -1.32 -0.02 0.00 1.01 0.00 0.00 42.92 42.45 2b1q s ASP 155 CO -0.12 0.18 0.09 -0.76 0.21 0.00 0.00 175.17 174.78 2b1q s LEU 156 N 0.21 3.63 0.17 1.23 1.02 0.13 -0.72 118.68 124.35 2b1q s LEU 156 Ca -0.14 -0.29 0.03 0.00 0.02 0.00 0.00 54.13 53.76 2b1q s LEU 156 Cb -0.17 -1.95 -0.05 0.00 0.02 0.00 0.00 46.19 44.05 2b1q s LEU 156 CO 0.07 -0.08 -0.03 -0.76 0.02 0.00 0.00 176.35 175.57 2b1q s LEU 157 N 1.62 2.28 0.63 1.79 1.43 -0.85 -1.85 118.68 123.72 2b1q s LEU 157 Ca 0.06 -1.12 -0.18 0.00 -1.03 0.00 0.00 54.13 51.86 2b1q s LEU 157 Cb -0.16 -0.16 -0.02 0.00 0.03 0.00 0.00 46.19 45.88 2b1q s LEU 157 CO 0.05 -0.49 1.23 -2.84 0.23 0.00 0.00 176.35 174.53 2b1q s PRO 158 N -3.86 2.74 0.50 1.29 0.02 -1.26 -0.71 135.00 133.72 2b1q s PRO 158 Ca 0.21 1.87 0.14 0.00 0.02 0.00 0.00 61.00 63.25 2b1q s PRO 158 Cb 0.05 -1.89 1.18 0.00 0.02 0.00 0.00 34.50 33.85 2b1q s PRO 158 CO 0.03 -1.40 2.13 1.96 -0.33 0.00 0.00 177.00 179.39 2b1q h GLN 159 N 0.62 0.11 0.00 5.54 4.20 -1.65 -0.96 115.11 122.96 2b1q h GLN 159 Ca -0.50 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.20 2b1q h GLN 159 Cb 1.31 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 29.06 2b1q h GLN 159 CO 0.54 0.08 0.00 0.54 -0.67 0.00 0.00 178.83 179.32 2b1q n ARG 160 N -4.52 0.12 0.00 1.46 1.74 -1.26 -4.80 116.66 109.40 2b1q n ARG 160 Ca -0.02 0.16 0.00 0.00 -0.77 0.00 0.00 57.85 57.23 2b1q n ARG 160 Cb 0.09 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.03 2b1q n ARG 160 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 2b1q n SER 161 N -1.40 0.00 0.00 0.55 2.88 -0.37 -4.66 113.62 110.62 2b1q n SER 161 Ca 0.06 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.60 2b1q n SER 161 Cb 0.17 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.63 2b1q n SER 161 CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 2b1q n ASN 162 N 0.00 0.00 -0.06 -3.46 0.23 -1.16 -4.29 115.26 106.52 2b1q n ASN 162 Ca 0.00 0.00 0.02 0.00 -0.53 0.00 0.00 54.58 54.07 2b1q n ASN 162 Cb 0.00 0.00 0.36 0.00 -2.08 0.00 0.00 39.78 38.06 2b1q n ASN 162 CO 0.00 0.00 0.00 0.11 -0.93 0.00 0.00 177.26 176.44 2b1q h LYS 163 N 0.00 0.67 -0.08 -3.83 1.57 -1.78 -2.51 116.57 110.61 2b1q h LYS 163 Ca 0.00 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.71 2b1q h LYS 163 Cb 0.00 -0.14 -0.00 0.00 0.08 0.00 0.00 32.23 32.16 2b1q h LYS 163 CO 0.00 0.47 -0.01 0.78 -0.57 0.00 0.00 179.45 180.13 2b1q h GLY 164 N 0.72 0.15 1.28 3.86 0.00 -1.86 -1.17 103.07 106.05 2b1q h GLY 164 Ca 0.18 -0.11 -0.04 0.00 0.00 0.00 0.00 47.33 47.36 2b1q h GLY 164 CO -0.03 0.11 0.24 3.43 0.00 0.00 0.00 176.54 180.28 2b1q h ASN 165 N -0.16 0.84 -0.34 0.19 -0.26 -1.72 -0.30 115.58 113.82 2b1q h ASN 165 Ca 0.02 -0.12 -0.09 0.00 -0.56 0.00 0.00 56.30 55.56 2b1q h ASN 165 Cb 0.36 -0.22 -0.02 0.00 -1.06 0.00 0.00 38.32 37.39 2b1q h ASN 165 CO 0.00 0.76 -0.08 0.00 -1.06 0.00 0.00 177.43 177.06 2b1q h ALA 166 N 1.36 1.04 -0.34 -0.83 0.00 -1.41 -1.68 119.26 117.41 2b1q h ALA 166 Ca 0.21 -0.30 -0.04 0.00 0.00 0.00 0.00 54.91 54.78 2b1q h ALA 166 Cb 0.19 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 2b1q h ALA 166 CO -0.02 0.59 0.04 1.15 0.00 0.00 0.00 179.25 181.01 2b1q h THR 167 N 0.70 1.24 -0.63 0.00 2.02 -0.32 -0.95 112.91 114.96 2b1q h THR 167 Ca 0.12 -0.86 -0.05 0.00 0.77 0.00 0.00 66.41 66.39 2b1q h THR 167 Cb 0.54 1.15 -0.03 0.00 -1.74 0.00 0.00 68.15 68.07 2b1q h THR 167 CO 0.03 0.29 0.18 1.56 0.37 0.00 0.00 175.52 177.95 2b1q h GLN 168 N 0.39 0.97 -0.35 6.66 4.20 -0.91 0.50 115.11 126.58 2b1q h GLN 168 Ca 0.10 -0.20 -0.00 0.00 0.06 0.00 0.00 58.65 58.61 2b1q h GLN 168 Cb 0.37 -0.15 -0.02 0.00 0.30 0.00 0.00 27.48 27.99 2b1q h GLN 168 CO 0.01 0.85 0.20 -0.92 -0.67 0.00 0.00 178.83 178.30 2b1q h TYR 169 N 0.94 0.48 -0.78 2.96 3.20 -1.12 -1.53 116.97 121.12 2b1q h TYR 169 Ca 0.21 -0.01 -0.05 0.00 3.14 0.00 0.00 58.73 62.02 2b1q h TYR 169 Cb 0.29 -0.15 -0.03 0.00 1.54 0.00 0.00 36.73 38.37 2b1q h TYR 169 CO 0.02 0.36 0.29 1.25 -1.64 0.00 0.00 178.16 178.44 2b1q h LEU 170 N 0.45 1.09 -0.64 2.82 5.85 -0.65 -1.04 115.31 123.19 2b1q h LEU 170 Ca 0.13 -0.18 0.01 0.00 0.84 0.00 0.00 57.88 58.67 2b1q h LEU 170 Cb 0.04 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 40.75 2b1q h LEU 170 CO -0.02 0.97 0.42 1.56 -0.34 0.00 0.00 178.44 181.03 2b1q h GLN 171 N 1.14 0.84 -0.40 1.25 4.20 -0.51 0.05 115.11 121.67 2b1q h GLN 171 Ca 0.26 -0.05 -0.14 0.00 0.06 0.00 0.00 58.65 58.78 2b1q h GLN 171 Cb 0.24 -0.19 -0.01 0.00 0.30 0.00 0.00 27.48 27.82 2b1q h GLN 171 CO -0.02 0.56 -0.30 0.37 -0.67 0.00 0.00 178.83 178.77 2b1q h GLN 172 N 0.86 0.88 -0.70 1.46 5.75 -1.03 0.13 115.11 122.46 2b1q h GLN 172 Ca 0.23 -0.41 -0.03 0.00 -0.15 0.00 0.00 58.65 58.30 2b1q h GLN 172 Cb -0.09 -0.01 -0.03 0.00 1.07 0.00 0.00 27.48 28.41 2b1q h GLN 172 CO -0.05 1.06 0.33 1.25 -2.65 0.00 0.00 178.83 178.77 2b1q h HIS 173 N 0.74 0.99 -0.02 3.99 2.76 -0.65 -2.80 115.15 120.17 2b1q h HIS 173 Ca 0.08 -0.04 0.00 0.00 -2.20 0.00 0.00 60.37 58.21 2b1q h HIS 173 Cb 0.86 -0.31 0.00 0.00 1.55 0.00 0.00 27.41 29.51 2b1q h HIS 173 CO 0.05 0.73 -0.25 1.28 -1.30 0.00 0.00 177.93 178.43 2b1q n LEU 174 N -4.33 1.99 -3.60 0.26 4.77 -0.04 -4.97 117.00 111.08 2b1q n LEU 174 Ca 0.07 -0.68 -0.23 0.00 -0.03 0.00 0.00 56.01 55.14 2b1q n LEU 174 Cb 0.14 -0.03 0.07 0.00 -2.33 0.00 0.00 43.42 41.28 2b1q n LEU 174 CO 0.39 0.35 0.18 0.00 -1.33 0.00 0.00 177.39 176.98 2b1q n ALA 175 N 0.21 -1.53 -2.75 -1.18 0.00 0.24 -4.27 120.51 111.23 2b1q n ALA 175 Ca 0.12 0.23 -0.35 0.00 0.00 0.00 0.00 53.44 53.44 2b1q n ALA 175 Cb 0.46 -4.40 -0.10 0.00 0.00 0.00 0.00 19.45 15.41 2b1q n ALA 175 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 2b1q s MET 176 N -6.09 3.26 0.43 0.00 1.00 -0.06 -4.69 119.30 113.14 2b1q s MET 176 Ca 0.41 -0.41 -0.10 0.00 0.00 0.00 0.00 55.69 55.59 2b1q s MET 176 Cb -0.19 -2.89 -0.06 0.00 0.00 0.00 0.00 34.83 31.69 2b1q s MET 176 CO 0.75 0.57 0.80 -1.21 0.00 0.00 0.00 175.02 175.92 2b1q s GLU 177 N -0.51 3.76 0.32 2.03 0.41 -1.26 -4.61 118.70 118.84 2b1q s GLU 177 Ca 0.09 0.49 0.03 0.00 -0.41 0.00 0.00 54.97 55.16 2b1q s GLU 177 Cb -0.12 -2.36 0.60 0.00 -1.78 0.00 0.00 34.13 30.47 2b1q s GLU 177 CO 0.02 -0.09 1.91 -1.35 -0.49 0.00 0.00 175.26 175.25 2b1q h PRO 178 N 1.05 0.92 0.00 0.39 0.11 -1.94 0.12 132.00 132.65 2b1q h PRO 178 Ca -0.47 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.59 2b1q h PRO 178 Cb 1.19 -0.21 0.00 0.00 0.11 0.00 0.00 31.00 32.09 2b1q h PRO 178 CO 0.63 0.61 0.00 0.66 -0.21 0.00 0.00 178.00 179.69 2b1q h SER 179 N 0.94 0.00 -0.29 -2.05 4.64 -1.94 -0.40 113.55 114.45 2b1q h SER 179 Ca 0.39 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.71 2b1q h SER 179 Cb 0.30 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.39 2b1q h SER 179 CO -0.16 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.80 2b1q n GLN 180 N -2.54 2.34 -4.54 4.77 6.02 0.40 -4.91 117.38 118.92 2b1q n GLN 180 Ca -0.00 -2.13 -0.34 0.00 -0.01 0.00 0.00 57.00 54.52 2b1q n GLN 180 Cb 0.15 -1.47 -0.11 0.00 1.02 0.00 0.00 30.24 29.84 2b1q n GLN 180 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 2b1q s THR 181 N -1.50 3.90 -0.16 5.09 2.01 -0.16 -1.58 115.64 123.24 2b1q s THR 181 Ca 0.34 -0.41 -0.00 0.00 0.31 0.00 0.00 61.69 61.92 2b1q s THR 181 Cb 0.21 -2.61 0.04 0.00 0.01 0.00 0.00 72.50 70.14 2b1q s THR 181 CO 0.29 0.60 -0.05 -0.22 -0.69 0.00 0.00 174.62 174.54 2b1q s LEU 182 N -0.85 1.57 -0.09 4.42 2.96 -0.69 -0.87 118.68 125.13 2b1q s LEU 182 Ca 0.13 -0.63 -0.04 0.00 -0.22 0.00 0.00 54.13 53.37 2b1q s LEU 182 Cb -0.11 -0.91 -0.04 0.00 0.50 0.00 0.00 46.19 45.64 2b1q s LEU 182 CO 0.02 -0.18 0.07 0.68 -1.32 0.00 0.00 176.35 175.62 2b1q s VAL 183 N 1.64 4.86 -0.06 1.68 -7.23 0.29 -1.06 120.40 120.52 2b1q s VAL 183 Ca 0.01 -0.08 0.03 0.00 -1.81 0.00 0.00 61.98 60.13 2b1q s VAL 183 Cb -0.15 -3.10 0.01 0.00 0.56 0.00 0.00 36.38 33.70 2b1q s VAL 183 CO -0.08 0.58 -0.15 0.00 -0.31 0.00 0.00 175.10 175.14 2b1q s GLY 185 N 0.44 0.90 0.00 0.00 0.00 -0.95 -1.91 107.32 105.80 2b1q s GLY 185 Ca -0.12 -1.11 0.00 0.00 0.00 0.00 0.00 44.72 43.49 2b1q s GLY 185 CO 0.04 -0.67 0.00 2.09 0.00 0.00 0.00 173.10 174.56 2b1q n ASP 186 N -1.24 0.00 -1.59 1.64 5.75 -1.26 -2.33 116.55 117.52 2b1q n ASP 186 Ca -0.03 0.00 -0.05 0.00 -0.01 0.00 0.00 54.79 54.70 2b1q n ASP 186 Cb 0.61 0.00 -0.02 0.00 -1.03 0.00 0.00 41.12 40.68 2b1q n ASP 186 CO 0.00 0.00 0.00 -1.54 -0.11 0.00 0.00 177.20 175.55 2b1q n SER 187 N 0.00 -0.29 0.25 -1.12 3.41 -1.26 0.76 113.62 115.37 2b1q n SER 187 Ca 0.00 -1.57 0.14 0.00 -0.26 0.00 0.00 58.87 57.18 2b1q n SER 187 Cb 0.00 0.58 0.80 0.00 -0.26 0.00 0.00 64.21 65.34 2b1q n SER 187 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 2b1q h GLY 188 N 0.56 0.00 -0.06 5.00 0.00 -1.90 -0.53 103.07 106.13 2b1q h GLY 188 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.26 2b1q h GLY 188 CO 0.10 0.00 0.00 1.16 0.00 0.00 0.00 176.54 177.80 2b1q n ASN 189 N -4.08 0.39 -0.14 0.19 0.23 -1.26 -2.80 115.26 107.78 2b1q n ASN 189 Ca -0.01 -1.80 0.04 0.00 -0.53 0.00 0.00 54.58 52.28 2b1q n ASN 189 Cb 0.17 -0.04 -0.01 0.00 -2.08 0.00 0.00 39.78 37.82 2b1q n ASN 189 CO 0.00 0.00 0.00 0.47 -0.93 0.00 0.00 177.26 176.80 2b1q n ASP 190 N -0.38 0.92 -0.35 0.53 8.00 -0.21 -4.59 116.55 120.46 2b1q n ASP 190 Ca 0.07 -0.96 0.06 0.00 0.71 0.00 0.00 54.79 54.67 2b1q n ASP 190 Cb 0.09 0.59 0.23 0.00 -0.02 0.00 0.00 41.12 42.00 2b1q n ASP 190 CO 0.00 0.00 0.00 0.40 -0.39 0.00 0.00 177.20 177.21 2b1q h ILE 191 N 0.70 0.98 -0.71 0.53 2.04 -1.54 0.12 117.51 119.63 2b1q h ILE 191 Ca 0.00 -0.36 0.11 0.00 1.00 0.00 0.00 64.86 65.61 2b1q h ILE 191 Cb 0.25 -0.15 -0.05 0.00 -0.74 0.00 0.00 36.82 36.14 2b1q h ILE 191 CO 0.00 0.19 0.47 1.23 0.00 0.00 0.00 178.15 180.04 2b1q h GLY 192 N 1.04 0.80 0.88 5.37 0.00 -1.82 -1.41 103.07 107.92 2b1q h GLY 192 Ca 0.46 -0.22 -0.02 0.00 0.00 0.00 0.00 47.33 47.55 2b1q h GLY 192 CO -0.22 0.12 0.07 1.41 0.00 0.00 0.00 176.54 177.92 2b1q h LEU 193 N 0.54 0.36 -0.10 3.11 3.38 -1.25 -2.62 115.31 118.73 2b1q h LEU 193 Ca 0.34 -0.22 0.00 0.00 0.09 0.00 0.00 57.88 58.09 2b1q h LEU 193 Cb 0.58 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.23 2b1q h LEU 193 CO -0.11 0.48 0.00 0.49 0.09 0.00 0.00 178.44 179.39 2b1q n PHE 194 N -4.74 0.16 0.41 1.13 3.01 -0.65 -2.01 117.46 114.78 2b1q n PHE 194 Ca -0.03 0.06 0.12 0.00 1.01 0.00 0.00 57.45 58.61 2b1q n PHE 194 Cb 0.17 -0.60 0.27 0.00 -0.01 0.00 0.00 39.48 39.31 2b1q n PHE 194 CO 0.00 0.00 0.00 0.93 1.01 0.00 0.00 176.76 178.70 2b1q h GLU 195 N 0.00 0.00 -7.56 -1.08 5.08 -0.90 -3.45 114.58 106.66 2b1q h GLU 195 Ca 0.00 0.00 -0.48 0.00 -1.00 0.00 0.00 59.36 57.88 2b1q h GLU 195 Cb 0.34 0.00 0.10 0.00 0.50 0.00 0.00 28.75 29.69 2b1q h GLU 195 CO 0.00 0.00 0.40 0.95 -1.00 0.00 0.00 179.01 179.36 2b1q s THR 196 N -3.16 2.42 -1.24 1.13 -4.23 -0.85 -4.94 115.64 104.76 2b1q s THR 196 Ca 0.09 0.14 0.06 0.00 -1.18 0.00 0.00 61.69 60.79 2b1q s THR 196 Cb 0.09 -3.10 0.24 0.00 1.34 0.00 0.00 72.50 71.07 2b1q s THR 196 CO 0.64 -0.18 1.00 -1.54 -0.54 0.00 0.00 174.62 174.01 2b1q n SER 197 N -3.29 2.03 -4.86 3.99 3.41 -1.26 -4.89 113.62 108.75 2b1q n SER 197 Ca 0.08 -2.18 -0.31 0.00 -0.26 0.00 0.00 58.87 56.19 2b1q n SER 197 Cb 0.60 -0.41 0.02 0.00 -0.26 0.00 0.00 64.21 64.16 2b1q n SER 197 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2b1q s ALA 198 N -1.61 3.00 0.45 7.33 0.00 -1.26 -4.58 121.76 125.09 2b1q s ALA 198 Ca 0.17 -0.03 -0.23 0.00 0.00 0.00 0.00 51.96 51.87 2b1q s ALA 198 Cb 0.11 -3.11 -0.08 0.00 0.00 0.00 0.00 23.12 20.05 2b1q s ALA 198 CO 0.07 -0.78 1.13 1.03 0.00 0.00 0.00 175.76 177.22 2b1q s ARG 199 N -5.06 3.83 0.03 0.00 1.81 -0.05 -4.85 118.95 114.66 2b1q s ARG 199 Ca 0.56 1.69 -0.01 0.00 -1.72 0.00 0.00 55.73 56.26 2b1q s ARG 199 Cb -0.12 -2.41 -0.03 0.00 -0.45 0.00 0.00 34.95 31.95 2b1q s ARG 199 CO 0.53 -0.47 -0.02 0.20 -0.68 0.00 0.00 175.30 174.85 2b1q s GLY 200 N -1.45 0.31 -0.06 -3.53 0.00 -0.58 -0.55 107.32 101.46 2b1q s GLY 200 Ca 0.63 -0.78 0.02 0.00 0.00 0.00 0.00 44.72 44.58 2b1q s GLY 200 CO 0.32 -0.87 -0.10 0.54 0.00 0.00 0.00 173.10 172.99 2b1q s VAL 201 N -2.31 0.96 -0.29 1.40 0.11 -0.08 -0.52 120.40 119.67 2b1q s VAL 201 Ca -0.08 -0.37 -0.09 0.00 -2.93 0.00 0.00 61.98 58.51 2b1q s VAL 201 Cb -0.04 -0.90 -0.02 0.00 -1.53 0.00 0.00 36.38 33.90 2b1q s VAL 201 CO -0.04 0.32 0.13 -0.63 -3.33 0.00 0.00 175.10 171.55 2b1q s ILE 202 N 0.77 4.61 0.63 7.04 1.01 -0.20 -2.25 121.20 132.81 2b1q s ILE 202 Ca -0.13 -0.27 -0.18 0.00 0.00 0.00 0.00 60.65 60.07 2b1q s ILE 202 Cb -0.15 -3.28 -0.02 0.00 0.01 0.00 0.00 42.46 39.02 2b1q s ILE 202 CO 0.02 0.17 1.27 0.68 0.00 0.00 0.00 174.94 177.09 2b1q s VAL 203 N 1.63 2.19 0.26 2.92 -7.23 -0.98 -2.10 120.40 117.09 2b1q s VAL 203 Ca 0.05 0.12 -0.03 0.00 -1.81 0.00 0.00 61.98 60.31 2b1q s VAL 203 Cb -0.16 -3.05 0.25 0.00 0.56 0.00 0.00 36.38 33.98 2b1q s VAL 203 CO 0.06 -0.02 1.84 -0.09 -0.31 0.00 0.00 175.10 176.58 2b1q h ARG 204 N 0.64 0.96 -1.00 4.82 9.65 -1.43 -1.83 114.38 126.20 2b1q h ARG 204 Ca -0.51 -0.06 -0.04 0.00 -1.10 0.00 0.00 59.98 58.27 2b1q h ARG 204 Cb 1.33 -0.22 -0.02 0.00 -1.39 0.00 0.00 29.97 29.67 2b1q h ARG 204 CO 0.54 0.63 0.05 0.27 2.80 0.00 0.00 179.97 184.26 2b1q n ASN 205 N -4.62 2.89 -4.74 -3.80 6.94 -1.26 -4.95 115.26 105.72 2b1q n ASN 205 Ca 0.15 -2.13 -0.34 0.00 -0.02 0.00 0.00 54.58 52.24 2b1q n ASN 205 Cb 0.25 -0.53 0.07 0.00 -2.36 0.00 0.00 39.78 37.21 2b1q n ASN 205 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2b1q s ALA 206 N -0.38 2.27 0.52 -2.53 0.00 -0.69 -5.01 121.76 115.95 2b1q s ALA 206 Ca 0.05 0.79 -0.18 0.00 0.00 0.00 0.00 51.96 52.62 2b1q s ALA 206 Cb 0.04 -3.42 -0.07 0.00 0.00 0.00 0.00 23.12 19.67 2b1q s ALA 206 CO 0.01 -1.61 1.03 -0.65 0.00 0.00 0.00 175.76 174.54 2b1q s GLN 207 N -3.89 3.68 0.22 0.00 -1.52 0.23 -4.90 119.66 113.48 2b1q s GLN 207 Ca 0.72 1.23 -0.13 0.00 -1.95 0.00 0.00 55.36 55.23 2b1q s GLN 207 Cb -0.27 -2.08 0.26 0.00 -0.22 0.00 0.00 33.01 30.70 2b1q s GLN 207 CO 0.42 -0.52 1.61 -1.35 -0.25 0.00 0.00 175.29 175.21 2b1q h PRO 208 N 1.08 -0.02 -0.26 2.91 0.11 -1.95 -1.72 132.00 132.16 2b1q h PRO 208 Ca -0.48 0.00 0.01 0.00 0.11 0.00 0.00 66.00 65.64 2b1q h PRO 208 Cb 1.21 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.31 2b1q h PRO 208 CO 0.59 -0.01 0.17 1.05 -0.21 0.00 0.00 178.00 179.59 2b1q h GLU 209 N -0.02 0.29 -0.02 1.05 9.09 -1.94 -0.20 114.58 122.83 2b1q h GLU 209 Ca 0.33 -0.02 -0.24 0.00 0.05 0.00 0.00 59.36 59.48 2b1q h GLU 209 Cb 0.52 -0.07 0.01 0.00 -1.65 0.00 0.00 28.75 27.56 2b1q h GLU 209 CO -0.72 0.19 -0.96 1.25 0.05 0.00 0.00 179.01 178.82 2b1q h LEU 210 N 0.30 0.73 -0.72 3.06 5.85 -1.61 -1.98 115.31 120.94 2b1q h LEU 210 Ca 0.10 -0.57 -0.10 0.00 0.84 0.00 0.00 57.88 58.15 2b1q h LEU 210 Cb 0.04 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 40.83 2b1q h LEU 210 CO -0.02 1.36 -0.08 -0.07 -0.34 0.00 0.00 178.44 179.29 2b1q h LEU 211 N 0.33 0.88 -0.69 2.25 3.38 -1.10 -0.95 115.31 119.43 2b1q h LEU 211 Ca -0.10 -0.27 -0.03 0.00 0.09 0.00 0.00 57.88 57.58 2b1q h LEU 211 Cb 1.60 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 42.08 2b1q h LEU 211 CO 0.18 0.99 0.30 -0.74 0.09 0.00 0.00 178.44 179.26 2b1q h HIS 212 N 0.81 1.03 -0.37 1.13 2.76 -1.02 -1.40 115.15 118.09 2b1q h HIS 212 Ca 0.14 -0.07 -0.01 0.00 -2.20 0.00 0.00 60.37 58.24 2b1q h HIS 212 Cb 0.60 -0.31 -0.02 0.00 1.55 0.00 0.00 27.41 29.23 2b1q h HIS 212 CO 0.04 0.78 0.21 2.35 -1.30 0.00 0.00 177.93 180.01 2b1q h TRP 213 N 0.97 0.50 -0.88 5.26 7.01 -0.93 -2.70 115.95 125.17 2b1q h TRP 213 Ca 0.23 -0.01 0.03 0.00 2.11 0.00 0.00 58.89 61.26 2b1q h TRP 213 Cb 0.17 -0.16 -0.05 0.00 -2.10 0.00 0.00 29.16 27.02 2b1q h TRP 213 CO 0.01 0.38 0.57 -0.92 -2.79 0.00 0.00 178.44 175.69 2b1q h TYR 214 N 0.47 1.07 -0.34 2.65 5.03 -0.78 0.16 116.97 125.22 2b1q h TYR 214 Ca 0.13 0.03 -0.00 0.00 2.58 0.00 0.00 58.73 61.47 2b1q h TYR 214 Cb 0.04 -0.36 -0.02 0.00 1.55 0.00 0.00 36.73 37.95 2b1q h TYR 214 CO -0.03 0.62 0.21 -0.44 -1.32 0.00 0.00 178.16 177.20 2b1q h ASP 215 N 1.11 0.40 0.09 -2.11 3.32 -0.96 0.60 116.42 118.87 2b1q h ASP 215 Ca 0.35 -0.02 -0.36 0.00 0.02 0.00 0.00 57.03 57.03 2b1q h ASP 215 Cb -0.00 -0.10 -0.03 0.00 0.22 0.00 0.00 39.33 39.42 2b1q h ASP 215 CO -0.12 0.31 -1.99 0.00 -1.72 0.00 0.00 179.24 175.72 2b1q n GLN 216 N -4.47 0.72 0.00 3.56 6.02 -0.81 -4.62 117.38 117.78 2b1q n GLN 216 Ca 0.02 0.29 0.05 0.00 -0.01 0.00 0.00 57.00 57.35 2b1q n GLN 216 Cb 0.08 -1.68 -0.02 0.00 1.02 0.00 0.00 30.24 29.64 2b1q n GLN 216 CO 0.00 0.00 0.00 0.91 -1.01 0.00 0.00 177.06 176.96 2b1q n TRP 217 N -3.59 0.00 -1.60 1.08 7.02 0.48 -5.03 117.44 115.80 2b1q n TRP 217 Ca -0.35 0.00 -0.50 0.00 -1.02 0.00 0.00 57.50 55.64 2b1q n TRP 217 Cb 0.99 0.00 -0.05 0.00 -2.42 0.00 0.00 31.31 29.83 2b1q n TRP 217 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 2b1q n GLY 218 N 1.03 0.36 2.66 6.99 0.00 0.21 -4.99 105.19 111.45 2b1q n GLY 218 Ca 0.04 0.62 -0.22 0.00 0.00 0.00 0.00 46.02 46.45 2b1q n GLY 218 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2b1q n ASP 219 N 2.35 2.06 0.30 1.61 -0.08 -1.26 -5.00 116.55 116.53 2b1q n ASP 219 Ca 0.16 -2.68 0.17 0.00 -1.51 0.00 0.00 54.79 50.94 2b1q n ASP 219 Cb 0.23 0.55 0.93 0.00 2.34 0.00 0.00 41.12 45.16 2b1q n ASP 219 CO 0.00 0.00 0.00 0.77 0.12 0.00 0.00 177.20 178.09 2b1q h SER 220 N 1.09 0.00 0.96 1.67 4.64 -2.03 -1.66 113.55 118.22 2b1q h SER 220 Ca -0.28 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.04 2b1q h SER 220 Cb 0.95 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.04 2b1q h SER 220 CO 0.45 0.04 -0.06 -2.11 -0.87 0.00 0.00 176.83 174.28 2b1q n ARG 221 N -3.42 0.01 -3.60 4.77 1.85 -1.26 -4.77 116.66 110.23 2b1q n ARG 221 Ca -0.02 0.01 -0.36 0.00 -1.00 0.00 0.00 57.85 56.48 2b1q n ARG 221 Cb 0.16 -1.51 -0.07 0.00 -1.05 0.00 0.00 32.46 29.98 2b1q n ARG 221 CO 0.00 0.00 0.00 -1.01 -0.01 0.00 0.00 177.63 176.61 2b1q s HIS 222 N -3.00 3.44 -0.14 2.89 3.76 -0.63 -1.53 115.29 120.09 2b1q s HIS 222 Ca 0.14 0.51 0.02 0.00 -0.15 0.00 0.00 55.06 55.58 2b1q s HIS 222 Cb 0.19 -2.29 0.01 0.00 1.11 0.00 0.00 32.58 31.60 2b1q s HIS 222 CO 0.55 0.25 -0.21 -0.47 -0.85 0.00 0.00 174.74 174.01 2b1q s TYR 223 N 0.46 2.59 -0.54 1.40 6.14 0.32 -4.78 117.35 122.94 2b1q s TYR 223 Ca 0.14 -1.30 -0.21 0.00 0.64 0.00 0.00 57.07 56.34 2b1q s TYR 223 Cb -0.12 -1.77 0.06 0.00 0.42 0.00 0.00 41.96 40.55 2b1q s TYR 223 CO 0.02 -0.60 0.77 1.03 0.64 0.00 0.00 175.55 177.41 2b1q s ARG 224 N 0.83 3.19 0.56 4.97 1.81 -1.26 -1.04 118.95 128.00 2b1q s ARG 224 Ca -0.07 -0.69 -0.18 0.00 -1.72 0.00 0.00 55.73 53.07 2b1q s ARG 224 Cb -0.15 -4.10 -0.05 0.00 -0.45 0.00 0.00 34.95 30.19 2b1q s ARG 224 CO -0.02 -1.38 1.07 0.00 -0.68 0.00 0.00 175.30 174.29 2b1q s ALA 225 N 3.21 2.75 -0.01 2.13 0.00 -0.89 -4.96 121.76 123.98 2b1q s ALA 225 Ca 0.21 0.56 0.12 0.00 0.00 0.00 0.00 51.96 52.85 2b1q s ALA 225 Cb -0.17 -3.27 -0.18 0.00 0.00 0.00 0.00 23.12 19.50 2b1q s ALA 225 CO 0.14 -0.69 0.97 1.96 0.00 0.00 0.00 175.76 178.13 2b1q h GLN 226 N 0.90 0.00 -7.09 0.00 4.20 -1.95 -3.30 115.11 107.86 2b1q h GLN 226 Ca -0.48 0.00 -0.48 0.00 0.06 0.00 0.00 58.65 57.75 2b1q h GLN 226 Cb 1.23 0.00 0.01 0.00 0.30 0.00 0.00 27.48 29.02 2b1q h GLN 226 CO 0.57 0.63 0.31 -1.12 -0.67 0.00 0.00 178.83 178.55 2b1q s SER 227 N -6.28 6.62 0.24 1.46 0.01 -1.26 -4.73 113.70 109.76 2b1q s SER 227 Ca -0.02 1.47 0.07 0.00 1.31 0.00 0.00 55.95 58.78 2b1q s SER 227 Cb 0.09 -2.46 -0.04 0.00 0.21 0.00 0.00 66.02 63.81 2b1q s SER 227 CO 0.81 -0.52 0.12 -0.94 0.41 0.00 0.00 173.24 173.13 2b1q s SER 228 N -3.01 5.22 0.77 2.44 1.04 -1.26 -1.76 113.70 117.13 2b1q s SER 228 Ca 0.57 -0.34 0.00 0.00 0.48 0.00 0.00 55.95 56.66 2b1q s SER 228 Cb -0.10 -1.24 0.00 0.00 0.10 0.00 0.00 66.02 64.78 2b1q s SER 228 CO 0.30 -0.00 0.00 1.41 0.98 0.00 0.00 173.24 175.93 2b1q n HIS 229 N -0.90 0.00 0.06 5.02 8.25 -1.26 -2.53 115.22 123.86 2b1q n HIS 229 Ca -0.08 0.00 0.18 0.00 -0.26 0.00 0.00 57.72 57.57 2b1q n HIS 229 Cb 0.57 0.05 0.70 0.00 1.12 0.00 0.00 29.99 32.44 2b1q n HIS 229 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2b1q h ALA 230 N -0.77 2.34 -0.15 -1.41 0.00 -0.70 -0.26 119.26 118.32 2b1q h ALA 230 Ca 0.00 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 54.93 2b1q h ALA 230 Cb 0.00 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 2b1q h ALA 230 CO 0.00 -0.53 0.10 0.78 0.00 0.00 0.00 179.25 179.60 2b1q h GLY 231 N 0.00 0.07 2.00 0.00 0.00 -1.76 -0.73 103.07 102.65 2b1q h GLY 231 Ca 0.20 -0.02 -0.06 0.00 0.00 0.00 0.00 47.33 47.45 2b1q h GLY 231 CO -0.00 0.02 -0.27 0.00 0.00 0.00 0.00 176.54 176.28 2b1q h ALA 232 N 1.92 1.54 -0.18 3.60 0.00 -1.10 -1.99 119.26 123.06 2b1q h ALA 232 Ca 0.07 -0.25 -0.19 0.00 0.00 0.00 0.00 54.91 54.53 2b1q h ALA 232 Cb 0.19 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 17.94 2b1q h ALA 232 CO -0.01 0.34 -0.64 0.82 0.00 0.00 0.00 179.25 179.77 2b1q h ILE 233 N 0.00 1.29 -0.52 0.00 2.04 -1.25 -0.62 117.51 118.46 2b1q h ILE 233 Ca -0.00 -1.86 -0.06 0.00 1.00 0.00 0.00 64.86 63.94 2b1q h ILE 233 Cb 0.49 1.92 -0.02 0.00 -0.74 0.00 0.00 36.82 38.47 2b1q h ILE 233 CO 0.04 0.59 0.08 -0.07 0.00 0.00 0.00 178.15 178.79 2b1q h LEU 234 N 0.48 0.82 -0.39 1.44 3.38 -1.42 0.14 115.31 119.76 2b1q h LEU 234 Ca -0.03 -0.26 0.00 0.00 0.09 0.00 0.00 57.88 57.68 2b1q h LEU 234 Cb 1.27 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.78 2b1q h LEU 234 CO 0.14 0.87 0.26 -0.08 0.09 0.00 0.00 178.44 179.72 2b1q h GLU 235 N 0.74 0.51 -0.61 1.13 4.81 -1.31 -1.86 114.58 117.99 2b1q h GLU 235 Ca 0.16 -0.03 -0.07 0.00 -0.13 0.00 0.00 59.36 59.28 2b1q h GLU 235 Cb 0.40 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.64 2b1q h GLU 235 CO 0.01 0.34 0.09 0.00 -0.73 0.00 0.00 179.01 178.73 2b1q h ALA 236 N 1.14 0.80 -0.79 2.92 0.00 -0.88 -0.16 119.26 122.30 2b1q h ALA 236 Ca 0.14 -0.26 0.05 0.00 0.00 0.00 0.00 54.91 54.84 2b1q h ALA 236 Cb -0.06 -0.23 -0.05 0.00 0.00 0.00 0.00 17.79 17.45 2b1q h ALA 236 CO -0.03 0.57 0.49 0.82 0.00 0.00 0.00 179.25 181.09 2b1q h ILE 237 N 0.91 1.06 -0.20 0.00 2.04 -0.65 0.42 117.51 121.10 2b1q h ILE 237 Ca 0.18 -0.31 -0.17 0.00 1.00 0.00 0.00 64.86 65.56 2b1q h ILE 237 Cb 0.43 0.07 -0.00 0.00 -0.74 0.00 0.00 36.82 36.58 2b1q h ILE 237 CO 0.01 0.17 -0.57 0.00 0.00 0.00 0.00 178.15 177.76 2b1q h ALA 238 N 1.36 0.63 -0.22 1.87 0.00 -1.08 -0.75 119.26 121.07 2b1q h ALA 238 Ca 0.33 -0.52 -0.01 0.00 0.00 0.00 0.00 54.91 54.71 2b1q h ALA 238 Cb 0.10 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 2b1q h ALA 238 CO -0.15 0.69 0.09 1.25 0.00 0.00 0.00 179.25 181.14 2b1q h HIS 239 N 0.47 0.34 -0.08 0.00 -0.00 -0.21 -2.67 115.15 113.00 2b1q h HIS 239 Ca 0.01 -0.02 0.00 0.00 -0.00 0.00 0.00 60.37 60.35 2b1q h HIS 239 Cb 1.13 -0.10 0.00 0.00 -0.00 0.00 0.00 27.41 28.44 2b1q h HIS 239 CO 0.05 0.36 0.00 1.19 -0.00 0.00 0.00 177.93 179.54 2b1q n PHE 240 N -4.81 0.10 -3.73 5.26 3.01 0.06 -4.93 117.46 112.41 2b1q n PHE 240 Ca -0.03 -0.05 -0.23 0.00 1.01 0.00 0.00 57.45 58.15 2b1q n PHE 240 Cb 0.12 0.00 0.04 0.00 -0.01 0.00 0.00 39.48 39.63 2b1q n PHE 240 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 2b1q n ASP 241 N -0.12 -2.18 -4.90 4.37 2.03 -0.81 -4.98 116.55 109.95 2b1q n ASP 241 Ca 0.17 -0.79 -0.28 0.00 0.52 0.00 0.00 54.79 54.41 2b1q n ASP 241 Cb 0.24 -4.11 -0.01 0.00 -0.72 0.00 0.00 41.12 36.53 2b1q n ASP 241 CO 0.00 0.00 0.00 -0.36 -1.92 0.00 0.00 177.20 174.92 2b1q s PHE 242 N -3.56 3.55 -1.46 -0.67 2.99 -0.35 -4.02 117.98 114.46 2b1q s PHE 242 Ca 0.17 0.83 -0.11 0.00 0.00 0.00 0.00 56.93 57.82 2b1q s PHE 242 Cb -0.08 -2.31 0.06 0.00 0.00 0.00 0.00 43.02 40.69 2b1q s PHE 242 CO 0.81 -0.25 0.77 1.28 -0.00 0.00 0.00 175.22 177.84 2b1q n LEU 243 N -2.12 -2.31 0.00 -0.37 4.77 -1.26 -4.79 117.00 110.91 2b1q n LEU 243 Ca 0.01 -0.55 0.00 0.00 -0.03 0.00 0.00 56.01 55.43 2b1q n LEU 243 Cb 0.55 -2.53 0.00 0.00 -2.33 0.00 0.00 43.42 39.11 2b1q n LEU 243 CO 0.52 0.34 0.08 -1.54 -1.33 0.00 0.00 177.39 175.46