#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bjr n LYS 7 N 0.00 -0.41 -2.11 0.00 4.76 -0.68 -5.02 118.16 114.70 2bjr n LYS 7 Ca 0.00 -0.05 -0.32 0.00 -2.87 0.00 0.00 58.31 55.06 2bjr n LYS 7 Cb 0.00 -2.31 -0.00 0.00 -1.84 0.00 0.00 35.03 30.88 2bjr n LYS 7 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 2bjr s GLU 8 N -4.47 3.55 0.56 1.97 2.02 -1.26 -4.95 118.70 116.12 2bjr s GLU 8 Ca 0.66 1.04 -0.21 0.00 0.02 0.00 0.00 54.97 56.48 2bjr s GLU 8 Cb -0.23 -2.07 -0.05 0.00 0.10 0.00 0.00 34.13 31.88 2bjr s GLU 8 CO 0.59 -0.61 1.28 -0.25 0.02 0.00 0.00 175.26 176.29 2bjr n ASP 9 N -2.04 2.31 -4.44 -0.19 8.00 -1.26 -5.01 116.55 113.93 2bjr n ASP 9 Ca 0.07 0.95 -0.35 0.00 0.71 0.00 0.00 54.79 56.17 2bjr n ASP 9 Cb 0.53 -1.54 -0.13 0.00 -0.02 0.00 0.00 41.12 39.97 2bjr n ASP 9 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 2bjr s THR 10 N -1.32 3.96 -0.39 -3.53 2.01 -1.26 -5.06 115.64 110.05 2bjr s THR 10 Ca 0.73 -0.31 -0.03 0.00 0.31 0.00 0.00 61.69 62.39 2bjr s THR 10 Cb -0.42 -2.80 0.09 0.00 0.01 0.00 0.00 72.50 69.38 2bjr s THR 10 CO 0.48 0.41 0.17 0.26 -0.69 0.00 0.00 174.62 175.26 2bjr s TRP 11 N 1.12 3.50 0.13 4.92 0.52 -1.26 -1.22 118.94 126.65 2bjr s TRP 11 Ca 0.03 -2.23 -0.28 0.00 0.02 0.00 0.00 56.10 53.64 2bjr s TRP 11 Cb -0.14 -2.98 -0.07 0.00 -1.15 0.00 0.00 33.47 29.13 2bjr s TRP 11 CO 0.02 -0.93 0.89 0.00 0.02 0.00 0.00 176.95 176.95 2bjr s ALA 12 N 1.19 3.31 0.34 0.98 0.00 -0.19 -4.73 121.76 122.67 2bjr s ALA 12 Ca 0.05 0.49 -0.28 0.00 0.00 0.00 0.00 51.96 52.23 2bjr s ALA 12 Cb -0.22 -3.16 -0.09 0.00 0.00 0.00 0.00 23.12 19.64 2bjr s ALA 12 CO -0.03 0.08 1.20 -0.06 0.00 0.00 0.00 175.76 176.95 2bjr s PHE 13 N -0.38 3.20 -0.21 0.00 0.40 -1.26 -0.82 117.98 118.90 2bjr s PHE 13 Ca 0.43 1.54 -0.04 0.00 -0.60 0.00 0.00 56.93 58.26 2bjr s PHE 13 Cb -0.23 -3.47 0.11 0.00 0.51 0.00 0.00 43.02 39.94 2bjr s PHE 13 CO 0.28 -1.31 0.34 0.20 0.70 0.00 0.00 175.22 175.43 2bjr s GLY 14 N -0.83 -0.28 0.25 4.36 0.00 -0.03 -4.77 107.32 106.01 2bjr s GLY 14 Ca 0.51 0.90 -0.31 0.00 0.00 0.00 0.00 44.72 45.81 2bjr s GLY 14 CO 0.44 2.43 1.44 -1.05 0.00 0.00 0.00 173.10 176.36 2bjr n PRO 15 N 5.36 2.13 -1.81 2.90 -0.02 -1.26 -2.08 135.00 140.22 2bjr n PRO 15 Ca -0.05 0.76 -0.41 0.00 -2.02 0.00 0.00 63.50 61.77 2bjr n PRO 15 Cb 0.50 -2.44 -0.02 0.00 -0.02 0.00 0.00 33.50 31.52 2bjr n PRO 15 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 2bjr s ILE 16 N -0.02 2.15 0.00 4.25 1.01 -0.72 -2.37 121.20 125.50 2bjr s ILE 16 Ca 0.68 0.13 0.00 0.00 0.00 0.00 0.00 60.65 61.46 2bjr s ILE 16 Cb -0.63 -3.08 0.00 0.00 0.01 0.00 0.00 42.46 38.76 2bjr s ILE 16 CO 0.49 0.02 0.00 0.61 0.00 0.00 0.00 174.94 176.06 2bjr n GLY 17 N 2.18 0.67 3.52 6.18 0.00 -0.30 -4.93 105.19 112.50 2bjr n GLY 17 Ca 0.08 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.85 2bjr n GLY 17 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2bjr s SER 18 N -2.21 3.66 0.86 1.61 0.01 -1.00 -4.70 113.70 111.93 2bjr s SER 18 Ca 0.00 -1.15 -0.12 0.00 1.31 0.00 0.00 55.95 55.99 2bjr s SER 18 Cb 0.00 -0.33 0.09 0.00 0.21 0.00 0.00 66.02 65.99 2bjr s SER 18 CO 0.00 -0.13 1.02 -2.65 0.41 0.00 0.00 173.24 171.89 2bjr n PRO 19 N -0.73 -0.07 -1.85 12.44 -0.02 -1.25 -0.81 135.00 142.71 2bjr n PRO 19 Ca -0.05 0.05 -0.37 0.00 -2.02 0.00 0.00 63.50 61.11 2bjr n PRO 19 Cb 0.62 -2.29 0.05 0.00 -0.02 0.00 0.00 33.50 31.86 2bjr n PRO 19 CO 0.00 0.00 0.00 -0.06 1.98 0.00 0.00 175.50 177.42 2bjr s PHE 20 N -2.30 2.27 1.05 6.00 0.40 -1.26 -4.80 117.98 119.33 2bjr s PHE 20 Ca 0.68 1.45 -0.13 0.00 -0.60 0.00 0.00 56.93 58.34 2bjr s PHE 20 Cb -0.27 -3.67 0.22 0.00 0.51 0.00 0.00 43.02 39.81 2bjr s PHE 20 CO 0.56 -2.69 1.07 -1.25 0.70 0.00 0.00 175.22 173.61 2bjr s PRO 21 N -3.15 -0.02 0.43 0.24 0.04 -1.26 -4.93 135.00 126.34 2bjr s PRO 21 Ca 0.76 0.59 -0.26 0.00 0.04 0.00 0.00 61.00 62.14 2bjr s PRO 21 Cb -0.37 -1.68 -0.09 0.00 0.04 0.00 0.00 34.50 32.40 2bjr s PRO 21 CO 0.41 -3.05 1.37 -0.25 0.04 0.00 0.00 177.00 175.52 2bjr n ASP 22 N -4.41 3.05 -3.67 6.66 8.00 -1.26 -3.95 116.55 120.97 2bjr n ASP 22 Ca 0.04 1.13 -0.21 0.00 0.71 0.00 0.00 54.79 56.46 2bjr n ASP 22 Cb 0.56 -1.56 0.04 0.00 -0.02 0.00 0.00 41.12 40.15 2bjr n ASP 22 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 2bjr n ASN 23 N 0.05 -1.81 -4.74 -2.24 3.02 -1.26 -4.73 115.26 103.55 2bjr n ASN 23 Ca 0.05 -0.77 -0.32 0.00 -0.03 0.00 0.00 54.58 53.51 2bjr n ASN 23 Cb 0.40 -4.25 0.09 0.00 -0.61 0.00 0.00 39.78 35.41 2bjr n ASN 23 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 2bjr s PRO 24 N -5.95 2.17 -0.26 3.52 0.04 -1.25 -1.58 135.00 131.69 2bjr s PRO 24 Ca 0.08 1.45 -0.10 0.00 0.04 0.00 0.00 61.00 62.47 2bjr s PRO 24 Cb -0.04 -1.87 -0.05 0.00 0.04 0.00 0.00 34.50 32.59 2bjr s PRO 24 CO 0.80 -1.75 0.16 0.08 0.04 0.00 0.00 177.00 176.32 2bjr s VAL 25 N -2.47 5.18 0.36 -0.36 1.01 -0.55 -4.79 120.40 118.78 2bjr s VAL 25 Ca 0.67 0.12 -0.24 0.00 0.00 0.00 0.00 61.98 62.53 2bjr s VAL 25 Cb -0.22 -3.44 -0.10 0.00 0.00 0.00 0.00 36.38 32.62 2bjr s VAL 25 CO 0.49 0.31 0.95 -0.54 0.00 0.00 0.00 175.10 176.31 2bjr s LYS 26 N 1.42 4.46 0.28 2.72 1.02 -1.26 -1.61 119.74 126.77 2bjr s LYS 26 Ca 0.07 1.27 -0.30 0.00 0.02 0.00 0.00 55.97 57.03 2bjr s LYS 26 Cb -0.15 -2.61 -0.11 0.00 -0.52 0.00 0.00 37.83 34.45 2bjr s LYS 26 CO 0.07 0.17 1.48 0.00 -0.92 0.00 0.00 175.35 176.16 2bjr s ALA 27 N -1.79 3.65 0.06 5.17 0.00 -1.26 -4.84 121.76 122.75 2bjr s ALA 27 Ca 0.54 1.43 -0.34 0.00 0.00 0.00 0.00 51.96 53.59 2bjr s ALA 27 Cb -0.16 -3.59 -0.13 0.00 0.00 0.00 0.00 23.12 19.25 2bjr s ALA 27 CO 0.21 -0.84 1.71 -0.11 0.00 0.00 0.00 175.76 176.73 2bjr n LEU 28 N 2.00 3.29 0.00 0.00 7.94 -1.26 -1.76 117.00 127.22 2bjr n LEU 28 Ca 0.06 1.03 0.00 0.00 -1.11 0.00 0.00 56.01 55.99 2bjr n LEU 28 Cb 0.39 -1.41 0.00 0.00 0.53 0.00 0.00 43.42 42.93 2bjr n LEU 28 CO 0.62 -0.17 0.00 0.61 -1.11 0.00 0.00 177.39 177.34 2bjr n GLY 29 N 3.85 0.72 3.52 -3.96 0.00 -1.26 -5.02 105.19 103.05 2bjr n GLY 29 Ca 0.19 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.88 2bjr n GLY 29 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2bjr s GLN 30 N -0.11 3.08 0.20 1.61 -1.52 -0.72 -5.02 119.66 117.19 2bjr s GLN 30 Ca 0.00 -0.57 0.03 0.00 -1.95 0.00 0.00 55.36 52.87 2bjr s GLN 30 Cb 0.00 -2.68 0.14 0.00 -0.22 0.00 0.00 33.01 30.25 2bjr s GLN 30 CO 0.00 0.48 1.48 0.37 -0.25 0.00 0.00 175.29 177.37 2bjr h GLN 31 N 5.86 0.25 -1.87 2.91 5.75 -1.95 -3.44 115.11 122.61 2bjr h GLN 31 Ca -0.40 -0.20 -0.34 0.00 -0.15 0.00 0.00 58.65 57.55 2bjr h GLN 31 Cb 1.18 0.04 -0.30 0.00 1.07 0.00 0.00 27.48 29.48 2bjr h GLN 31 CO 0.56 0.86 -0.67 1.21 -2.65 0.00 0.00 178.83 178.14 2bjr s ASN 32 N -6.92 0.94 0.00 -0.69 2.47 -1.26 -5.07 114.94 104.41 2bjr s ASN 32 Ca -0.04 -1.52 0.00 0.00 0.42 0.00 0.00 52.86 51.72 2bjr s ASN 32 Cb 0.11 0.67 0.00 0.00 -1.45 0.00 0.00 41.25 40.59 2bjr s ASN 32 CO 0.81 -0.25 0.00 -1.22 -3.72 0.00 0.00 177.10 172.72 2bjr n TYR 34 N 4.25 0.00 -2.48 0.43 4.02 0.29 -4.54 117.16 119.12 2bjr n TYR 34 Ca 0.11 0.00 -0.43 0.00 -0.01 0.00 0.00 57.90 57.58 2bjr n TYR 34 Cb 0.46 0.00 -0.02 0.00 -0.02 0.00 0.00 39.34 39.76 2bjr n TYR 34 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 176.86 175.93 2bjr s VAL 35 N -2.00 4.36 0.19 -0.72 1.01 -0.63 -1.30 120.40 121.31 2bjr s VAL 35 Ca 0.00 1.66 0.07 0.00 0.00 0.00 0.00 61.98 63.71 2bjr s VAL 35 Cb 0.00 -4.07 -0.05 0.00 0.00 0.00 0.00 36.38 32.27 2bjr s VAL 35 CO 0.00 -0.10 -0.14 0.00 0.00 0.00 0.00 175.10 174.86 2bjr s ALA 36 N 3.01 1.93 -0.01 5.51 0.00 -0.67 -1.05 121.76 130.46 2bjr s ALA 36 Ca 0.53 -1.60 0.00 0.00 0.00 0.00 0.00 51.96 50.89 2bjr s ALA 36 Cb -0.21 -0.08 0.01 0.00 0.00 0.00 0.00 23.12 22.84 2bjr s ALA 36 CO 0.16 0.07 -0.00 -1.17 0.00 0.00 0.00 175.76 174.82 2bjr s LEU 37 N -3.18 1.57 -0.00 0.00 2.96 0.20 -1.30 118.68 118.93 2bjr s LEU 37 Ca 0.20 -0.01 0.03 0.00 -0.22 0.00 0.00 54.13 54.13 2bjr s LEU 37 Cb -0.01 -0.11 -0.01 0.00 0.50 0.00 0.00 46.19 46.56 2bjr s LEU 37 CO 0.06 -0.05 -0.08 0.86 -1.32 0.00 0.00 176.35 175.82 2bjr s TRP 38 N 0.50 0.75 -0.07 5.38 -0.00 -1.26 -1.53 118.94 122.70 2bjr s TRP 38 Ca -0.04 -0.16 -0.02 0.00 -0.00 0.00 0.00 56.10 55.88 2bjr s TRP 38 Cb -0.07 -0.48 -0.04 0.00 -0.00 0.00 0.00 33.47 32.89 2bjr s TRP 38 CO -0.01 -0.01 0.04 0.71 -0.00 0.00 0.00 176.95 177.67 2bjr s TYR 39 N -0.26 3.24 -0.13 5.86 1.51 -1.26 -4.37 117.35 121.94 2bjr s TYR 39 Ca 0.03 0.24 -0.04 0.00 -1.01 0.00 0.00 57.07 56.29 2bjr s TYR 39 Cb -0.04 -1.79 0.06 0.00 -0.11 0.00 0.00 41.96 40.08 2bjr s TYR 39 CO -0.00 0.53 0.10 0.21 -1.11 0.00 0.00 175.55 175.28 2bjr s LYS 40 N -1.11 0.04 -1.86 -0.62 2.47 -0.69 -4.81 119.74 113.16 2bjr s LYS 40 Ca 0.16 0.12 0.00 0.00 -1.56 0.00 0.00 55.97 54.69 2bjr s LYS 40 Cb -0.12 -1.29 0.00 0.00 -1.46 0.00 0.00 37.83 34.96 2bjr s LYS 40 CO 0.05 -0.55 0.00 0.09 0.16 0.00 0.00 175.35 175.10 2bjr n ASN 41 N 5.29 -5.88 0.00 1.43 3.02 -1.26 -1.60 115.26 116.26 2bjr n ASN 41 Ca -0.06 0.06 0.00 0.00 -0.03 0.00 0.00 54.58 54.56 2bjr n ASN 41 Cb 0.49 -4.94 0.00 0.00 -0.61 0.00 0.00 39.78 34.72 2bjr n ASN 41 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2bjr n GLY 42 N -0.92 1.05 3.63 7.41 0.00 -1.26 -5.04 105.19 110.06 2bjr n GLY 42 Ca -0.24 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.38 2bjr n GLY 42 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2bjr s ARG 43 N -0.60 4.11 1.06 1.61 3.52 -0.63 -5.05 118.95 122.97 2bjr s ARG 43 Ca 0.00 0.34 -0.17 0.00 -0.13 0.00 0.00 55.73 55.77 2bjr s ARG 43 Cb 0.00 -3.62 0.23 0.00 -1.56 0.00 0.00 34.95 30.00 2bjr s ARG 43 CO 0.00 -0.27 1.20 -1.25 -0.81 0.00 0.00 175.30 174.17 2bjr s PRO 44 N 2.03 -0.10 0.05 5.12 0.04 -1.26 -1.70 135.00 139.18 2bjr s PRO 44 Ca 0.22 -0.15 0.02 0.00 0.04 0.00 0.00 61.00 61.13 2bjr s PRO 44 Cb -0.15 -1.73 -0.03 0.00 0.04 0.00 0.00 34.50 32.62 2bjr s PRO 44 CO 0.09 -2.95 -0.06 -1.01 0.04 0.00 0.00 177.00 173.10 2bjr s HIS 46 N -3.40 0.64 0.00 0.56 3.76 -1.26 -4.62 115.29 110.96 2bjr s HIS 46 Ca 0.71 -0.63 0.00 0.00 -0.15 0.00 0.00 55.06 54.99 2bjr s HIS 46 Cb -0.08 -0.39 0.00 0.00 1.11 0.00 0.00 32.58 33.22 2bjr s HIS 46 CO 0.54 -0.13 0.00 0.41 -0.85 0.00 0.00 174.74 174.71 2bjr n GLY 47 N 1.09 3.76 3.12 -2.22 0.00 -0.42 -3.94 105.19 106.58 2bjr n GLY 47 Ca -0.20 -0.69 -0.16 0.00 0.00 0.00 0.00 46.02 44.97 2bjr n GLY 47 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2bjr s ARG 48 N 1.76 0.68 0.20 1.61 1.70 -0.87 -1.67 118.95 122.35 2bjr s ARG 48 Ca 0.00 -0.86 0.11 0.00 -0.47 0.00 0.00 55.73 54.50 2bjr s ARG 48 Cb 0.00 -0.57 -0.04 0.00 -0.57 0.00 0.00 34.95 33.76 2bjr s ARG 48 CO 0.00 0.12 -0.21 0.00 -1.08 0.00 0.00 175.30 174.13 2bjr s ALA 49 N -1.32 2.40 0.21 7.88 0.00 -0.42 -0.96 121.76 129.55 2bjr s ALA 49 Ca -0.06 -1.64 -0.11 0.00 0.00 0.00 0.00 51.96 50.16 2bjr s ALA 49 Cb -0.10 -0.27 -0.01 0.00 0.00 0.00 0.00 23.12 22.75 2bjr s ALA 49 CO 0.01 0.34 0.38 1.67 0.00 0.00 0.00 175.76 178.17 2bjr s TRP 50 N -1.96 0.42 -0.27 0.00 -2.14 0.20 -0.54 118.94 114.64 2bjr s TRP 50 Ca 0.21 -0.76 -0.20 0.00 2.66 0.00 0.00 56.10 58.00 2bjr s TRP 50 Cb -0.07 0.05 -0.02 0.00 -3.10 0.00 0.00 33.47 30.34 2bjr s TRP 50 CO 0.10 -0.86 0.63 1.21 -2.66 0.00 0.00 176.95 175.36 2bjr s ASN 51 N -3.01 6.56 -0.11 -2.66 3.84 -1.26 -1.07 114.94 117.23 2bjr s ASN 51 Ca 0.21 0.64 -0.00 0.00 0.21 0.00 0.00 52.86 53.92 2bjr s ASN 51 Cb 0.01 -2.34 0.02 0.00 -0.55 0.00 0.00 41.25 38.40 2bjr s ASN 51 CO 0.06 -0.40 -0.08 0.21 -2.79 0.00 0.00 177.10 174.10 2bjr s ASN 52 N 1.51 2.13 -1.78 -4.21 2.47 -0.51 -4.76 114.94 109.81 2bjr s ASN 52 Ca 0.26 -0.30 0.00 0.00 0.42 0.00 0.00 52.86 53.24 2bjr s ASN 52 Cb -0.15 -0.83 0.00 0.00 -1.45 0.00 0.00 41.25 38.82 2bjr s ASN 52 CO 0.09 -0.11 0.00 0.61 -3.72 0.00 0.00 177.10 173.97 2bjr n GLY 53 N 4.86 -0.36 2.03 1.21 0.00 0.91 -2.64 105.19 111.19 2bjr n GLY 53 Ca -0.13 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 45.87 2bjr n GLY 53 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2bjr n GLY 54 N -0.99 0.77 3.37 -0.02 0.00 -1.25 -4.78 105.19 102.29 2bjr n GLY 54 Ca -0.24 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.59 2bjr n GLY 54 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2bjr s VAL 55 N -2.92 0.73 -0.11 1.61 -7.23 -1.08 -0.46 120.40 110.94 2bjr s VAL 55 Ca 0.00 -2.00 -0.29 0.00 -1.81 0.00 0.00 61.98 57.88 2bjr s VAL 55 Cb 0.00 -2.66 -0.01 0.00 0.56 0.00 0.00 36.38 34.27 2bjr s VAL 55 CO 0.00 0.00 0.96 -0.63 -0.31 0.00 0.00 175.10 175.12 2bjr s ILE 56 N -3.57 4.81 0.27 -0.62 1.01 0.01 -1.42 121.20 121.69 2bjr s ILE 56 Ca 0.36 1.95 0.10 0.00 0.00 0.00 0.00 60.65 63.06 2bjr s ILE 56 Cb 0.08 -4.27 -0.05 0.00 0.01 0.00 0.00 42.46 38.23 2bjr s ILE 56 CO 0.15 0.02 -0.04 -1.61 0.00 0.00 0.00 174.94 173.45 2bjr s GLU 57 N 1.99 2.15 0.22 2.79 2.02 -0.23 -1.15 118.70 126.48 2bjr s GLU 57 Ca 0.46 -1.51 -0.18 0.00 0.02 0.00 0.00 54.97 53.76 2bjr s GLU 57 Cb -0.18 -2.07 0.02 0.00 0.10 0.00 0.00 34.13 32.01 2bjr s GLU 57 CO 0.17 0.34 0.56 0.00 0.02 0.00 0.00 175.26 176.35 2bjr s SER 59 N -2.90 0.13 0.08 0.00 0.15 -0.13 -4.24 113.70 106.79 2bjr s SER 59 Ca 0.11 0.64 0.07 0.00 0.70 0.00 0.00 55.95 57.48 2bjr s SER 59 Cb -0.02 0.73 -0.03 0.00 -1.71 0.00 0.00 66.02 64.99 2bjr s SER 59 CO 0.01 -0.22 -0.18 -0.36 1.20 0.00 0.00 173.24 173.68 2bjr s PHE 60 N 2.18 1.58 -0.29 3.44 0.40 -0.35 -2.06 117.98 122.89 2bjr s PHE 60 Ca -0.02 -0.42 -0.18 0.00 -0.60 0.00 0.00 56.93 55.72 2bjr s PHE 60 Cb -0.12 -0.89 -0.02 0.00 0.51 0.00 0.00 43.02 42.50 2bjr s PHE 60 CO -0.09 0.13 0.50 -1.25 0.70 0.00 0.00 175.22 175.21 2bjr s PRO 61 N -1.68 3.94 -0.05 0.24 0.04 -1.26 -1.17 135.00 135.06 2bjr s PRO 61 Ca 0.04 0.16 0.00 0.00 0.04 0.00 0.00 61.00 61.24 2bjr s PRO 61 Cb -0.10 -3.69 0.02 0.00 0.04 0.00 0.00 34.50 30.77 2bjr s PRO 61 CO 0.03 -0.42 -0.02 -0.47 0.04 0.00 0.00 177.00 176.16 2bjr s TYR 62 N 2.31 0.60 -1.46 0.56 5.04 -0.10 -4.91 117.35 119.39 2bjr s TYR 62 Ca 0.20 -0.13 -0.04 0.00 -2.44 0.00 0.00 57.07 54.65 2bjr s TYR 62 Cb -0.16 -0.63 0.00 0.00 0.35 0.00 0.00 41.96 41.53 2bjr s TYR 62 CO 0.10 -0.21 0.22 0.09 -1.34 0.00 0.00 175.55 174.41 2bjr n ASN 63 N 4.41 -0.13 -0.14 4.32 4.13 -1.26 -0.19 115.26 126.40 2bjr n ASN 63 Ca -0.20 -1.20 -0.02 0.00 1.68 0.00 0.00 54.58 54.85 2bjr n ASN 63 Cb 0.50 -2.08 -0.01 0.00 -1.54 0.00 0.00 39.78 36.66 2bjr n ASN 63 CO 0.00 0.00 0.00 1.17 0.28 0.00 0.00 177.26 178.71 2bjr n LYS 64 N -4.57 -1.46 -4.28 3.52 4.81 -1.26 -4.99 118.16 109.92 2bjr n LYS 64 Ca -0.29 0.45 -0.30 0.00 -0.87 0.00 0.00 58.31 57.30 2bjr n LYS 64 Cb 0.68 -4.59 -0.10 0.00 0.02 0.00 0.00 35.03 31.04 2bjr n LYS 64 CO 0.00 0.00 0.00 -1.12 1.17 0.00 0.00 177.40 177.45 2bjr s SER 65 N -2.09 4.34 -0.20 3.14 0.01 0.74 -4.25 113.70 115.39 2bjr s SER 65 Ca 0.00 -0.38 -0.25 0.00 1.31 0.00 0.00 55.95 56.63 2bjr s SER 65 Cb 0.00 -0.82 -0.01 0.00 0.21 0.00 0.00 66.02 65.40 2bjr s SER 65 CO 0.00 0.19 0.85 -0.70 0.41 0.00 0.00 173.24 173.99 2bjr s GLU 66 N -2.09 4.26 -0.19 12.44 2.12 -1.26 -0.92 118.70 133.06 2bjr s GLU 66 Ca 0.20 1.02 -0.06 0.00 0.36 0.00 0.00 54.97 56.49 2bjr s GLU 66 Cb -0.11 -3.60 -0.03 0.00 0.26 0.00 0.00 34.13 30.65 2bjr s GLU 66 CO 0.12 -0.41 0.04 -0.51 -0.54 0.00 0.00 175.26 173.96 2bjr s LEU 67 N 2.44 3.55 0.00 2.70 1.43 -0.32 -4.88 118.68 123.60 2bjr s LEU 67 Ca 0.38 -0.06 0.00 0.00 -1.03 0.00 0.00 54.13 53.42 2bjr s LEU 67 Cb -0.16 -1.90 0.00 0.00 0.03 0.00 0.00 46.19 44.16 2bjr s LEU 67 CO 0.10 0.12 0.00 0.35 0.23 0.00 0.00 176.35 177.15 2bjr n THR 68 N 3.92 0.00 -4.14 5.49 -2.24 -1.26 -1.21 114.28 114.83 2bjr n THR 68 Ca -0.17 -0.00 -0.27 0.00 -2.27 0.00 0.00 64.05 61.34 2bjr n THR 68 Cb 0.52 0.31 -0.07 0.00 -2.10 0.00 0.00 70.33 68.99 2bjr n THR 68 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2bjr s GLY 69 N -1.21 1.76 0.49 3.38 0.00 -1.26 -4.43 107.32 106.04 2bjr s GLY 69 Ca 0.00 -1.26 0.24 0.00 0.00 0.00 0.00 44.72 43.70 2bjr s GLY 69 CO 0.00 -1.27 1.90 -2.08 0.00 0.00 0.00 173.10 171.65 2bjr h VAL 70 N 2.37 0.65 -0.09 1.40 2.07 -1.94 0.76 116.25 121.47 2bjr h VAL 70 Ca -0.47 -0.06 -0.05 0.00 0.82 0.00 0.00 66.70 66.94 2bjr h VAL 70 Cb 1.19 0.46 -0.01 0.00 -1.52 0.00 0.00 31.29 31.42 2bjr h VAL 70 CO 0.60 0.03 -0.18 0.11 0.02 0.00 0.00 177.57 178.15 2bjr h LYS 71 N 0.17 0.15 0.04 1.57 1.57 -1.95 0.72 116.57 118.84 2bjr h LYS 71 Ca 0.40 -0.04 -0.38 0.00 -1.87 0.00 0.00 60.65 58.77 2bjr h LYS 71 Cb 1.32 -0.02 -0.05 0.00 0.08 0.00 0.00 32.23 33.57 2bjr h LYS 71 CO -0.07 0.34 -2.26 -0.25 -0.57 0.00 0.00 179.45 176.64 2bjr n ASP 72 N -4.26 2.03 0.12 0.86 8.00 -0.76 -4.56 116.55 117.98 2bjr n ASP 72 Ca -0.01 0.05 0.12 0.00 0.71 0.00 0.00 54.79 55.65 2bjr n ASP 72 Cb 0.29 -0.63 0.04 0.00 -0.02 0.00 0.00 41.12 40.80 2bjr n ASP 72 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 2bjr h LEU 73 N -0.10 0.00 0.00 0.64 3.38 -0.92 -3.50 115.31 114.81 2bjr h LEU 73 Ca -0.52 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.43 2bjr h LEU 73 Cb 1.90 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.65 2bjr h LEU 73 CO -0.06 0.01 0.00 0.61 0.09 0.00 0.00 178.44 179.09 2bjr n GLY 74 N 1.18 -2.20 0.24 0.83 0.00 0.24 -4.69 105.19 100.80 2bjr n GLY 74 Ca 0.01 -1.52 -0.09 0.00 0.00 0.00 0.00 46.02 44.42 2bjr n GLY 74 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2bjr h GLY 75 N 0.00 0.73 -5.01 -0.02 0.00 -1.96 -3.39 103.07 93.43 2bjr h GLY 75 Ca 0.00 -0.72 -0.23 0.00 0.00 0.00 0.00 47.33 46.37 2bjr h GLY 75 CO 0.00 0.65 -0.72 -0.86 0.00 0.00 0.00 176.54 175.61 2bjr s GLN 76 N -4.30 0.37 0.35 4.80 -2.07 -1.26 -1.75 119.66 115.80 2bjr s GLN 76 Ca -0.08 -0.55 0.01 0.00 -1.82 0.00 0.00 55.36 52.92 2bjr s GLN 76 Cb 0.12 -0.12 0.01 0.00 -1.09 0.00 0.00 33.01 31.94 2bjr s GLN 76 CO 0.84 0.01 0.10 0.44 -1.32 0.00 0.00 175.29 175.36 2bjr n ILE 77 N 1.87 0.00 -4.71 3.63 -5.35 -0.88 -4.92 119.36 108.99 2bjr n ILE 77 Ca -0.21 -1.57 -0.30 0.00 -0.27 0.00 0.00 62.75 60.40 2bjr n ILE 77 Cb 0.56 0.15 -0.14 0.00 -1.74 0.00 0.00 39.64 38.47 2bjr n ILE 77 CO 0.00 0.00 0.00 -1.10 -1.76 0.00 0.00 176.55 173.69 2bjr s GLN 78 N -3.34 1.68 -0.06 6.28 -0.21 -0.58 -0.85 119.66 122.58 2bjr s GLN 78 Ca 0.07 -1.19 0.05 0.00 0.02 0.00 0.00 55.36 54.31 2bjr s GLN 78 Cb -0.01 -1.97 -0.00 0.00 1.00 0.00 0.00 33.01 32.03 2bjr s GLN 78 CO 0.05 0.49 -0.21 0.08 -2.12 0.00 0.00 175.29 173.58 2bjr s VAL 79 N -0.91 1.73 0.35 1.09 1.01 -0.00 -0.62 120.40 123.04 2bjr s VAL 79 Ca 0.13 -0.88 -0.29 0.00 0.00 0.00 0.00 61.98 60.95 2bjr s VAL 79 Cb -0.10 -1.48 -0.11 0.00 0.00 0.00 0.00 36.38 34.69 2bjr s VAL 79 CO 0.04 0.49 1.51 -0.22 0.00 0.00 0.00 175.10 176.92 2bjr s LEU 80 N 0.02 4.33 -0.03 3.92 2.96 -0.22 -1.02 118.68 128.64 2bjr s LEU 80 Ca -0.06 3.01 0.04 0.00 -0.22 0.00 0.00 54.13 56.90 2bjr s LEU 80 Cb -0.13 -3.66 -0.01 0.00 0.50 0.00 0.00 46.19 42.89 2bjr s LEU 80 CO 0.04 -0.88 -0.16 -1.58 -1.32 0.00 0.00 176.35 172.45 2bjr s GLN 81 N -1.59 1.54 -0.35 1.98 0.74 -0.36 -1.48 119.66 120.14 2bjr s GLN 81 Ca 0.56 -0.58 -0.00 0.00 0.05 0.00 0.00 55.36 55.39 2bjr s GLN 81 Cb -0.47 -1.40 0.12 0.00 1.10 0.00 0.00 33.01 32.37 2bjr s GLN 81 CO 0.58 0.28 0.17 -0.47 -0.55 0.00 0.00 175.29 175.30 2bjr s TYR 82 N -0.12 1.24 -0.29 1.67 5.04 -0.61 -4.31 117.35 119.96 2bjr s TYR 82 Ca 0.00 -1.71 0.02 0.00 -2.44 0.00 0.00 57.07 52.95 2bjr s TYR 82 Cb -0.09 -1.38 0.08 0.00 0.35 0.00 0.00 41.96 40.92 2bjr s TYR 82 CO 0.01 -0.83 0.00 0.21 -1.34 0.00 0.00 175.55 173.60 2bjr s LYS 83 N 1.25 1.50 0.00 4.97 2.20 -1.26 -4.86 119.74 123.55 2bjr s LYS 83 Ca 0.14 -1.40 0.00 0.00 -0.36 0.00 0.00 55.97 54.35 2bjr s LYS 83 Cb -0.20 -2.77 0.00 0.00 -1.51 0.00 0.00 37.83 33.35 2bjr s LYS 83 CO -0.14 -0.79 0.00 0.41 -0.36 0.00 0.00 175.35 174.47 2bjr n GLY 84 N 4.50 0.69 3.82 5.54 0.00 -1.26 -4.99 105.19 113.50 2bjr n GLY 84 Ca -0.04 -1.77 -0.08 0.00 0.00 0.00 0.00 46.02 44.13 2bjr n GLY 84 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2bjr s ASN 85 N -4.00 -0.07 0.49 1.61 2.20 -1.26 -5.04 114.94 108.87 2bjr s ASN 85 Ca 0.00 -0.94 0.21 0.00 -0.94 0.00 0.00 52.86 51.19 2bjr s ASN 85 Cb 0.00 0.78 1.27 0.00 -2.00 0.00 0.00 41.25 41.30 2bjr s ASN 85 CO 0.00 -1.51 2.05 1.12 -2.94 0.00 0.00 177.10 175.82 2bjr h HIS 86 N 2.00 0.00 0.02 1.54 2.07 -1.95 -1.89 115.15 116.95 2bjr h HIS 86 Ca -0.28 0.00 -0.00 0.00 -2.85 0.00 0.00 60.37 57.24 2bjr h HIS 86 Cb 1.25 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.23 2bjr h HIS 86 CO 1.09 0.14 -0.01 -0.07 -3.07 0.00 0.00 177.93 176.01 2bjr h LEU 87 N 0.00 -0.03 -1.91 6.12 3.38 -1.95 -0.73 115.31 120.20 2bjr h LEU 87 Ca -0.00 -0.71 -0.02 0.00 0.09 0.00 0.00 57.88 57.23 2bjr h LEU 87 Cb 0.29 0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.04 2bjr h LEU 87 CO 0.02 0.76 -0.11 0.77 0.09 0.00 0.00 178.44 179.96 2bjr h SER 88 N -0.88 0.00 0.00 -0.43 4.64 -1.94 -3.26 113.55 111.69 2bjr h SER 88 Ca -0.00 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.22 2bjr h SER 88 Cb 0.74 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.81 2bjr h SER 88 CO 0.01 0.11 -1.49 0.18 -0.87 0.00 0.00 176.83 174.77 2bjr n LEU 89 N -3.62 0.00 0.00 5.97 4.77 -0.72 -4.93 117.00 118.47 2bjr n LEU 89 Ca -0.02 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.96 2bjr n LEU 89 Cb 0.24 0.13 0.00 0.00 -2.33 0.00 0.00 43.42 41.46 2bjr n LEU 89 CO 0.30 0.13 0.00 0.61 -1.33 0.00 0.00 177.39 177.10 2bjr n GLY 90 N 2.37 0.70 3.58 -0.72 0.00 -0.29 -1.68 105.19 109.15 2bjr n GLY 90 Ca -0.09 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.83 2bjr n GLY 90 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2bjr s TYR 91 N -2.13 -0.40 0.09 1.61 -0.85 -1.19 -4.58 117.35 109.90 2bjr s TYR 91 Ca 0.00 0.11 -0.03 0.00 -0.52 0.00 0.00 57.07 56.63 2bjr s TYR 91 Cb 0.00 0.61 -0.03 0.00 0.38 0.00 0.00 41.96 42.92 2bjr s TYR 91 CO 0.00 -0.95 0.06 1.67 -1.52 0.00 0.00 175.55 174.80 2bjr s TRP 92 N -3.74 0.57 -0.26 -3.49 1.48 -1.03 -3.88 118.94 108.59 2bjr s TRP 92 Ca 0.05 -1.03 -0.10 0.00 -1.06 0.00 0.00 56.10 53.96 2bjr s TRP 92 Cb -0.03 -0.34 -0.04 0.00 -1.16 0.00 0.00 33.47 31.90 2bjr s TRP 92 CO -0.06 -0.48 0.15 0.71 -4.06 0.00 0.00 176.95 173.21 2bjr s TYR 93 N -3.96 3.19 -0.17 1.66 4.12 -1.26 -0.48 117.35 120.45 2bjr s TYR 93 Ca 0.13 -0.04 0.01 0.00 0.02 0.00 0.00 57.07 57.20 2bjr s TYR 93 Cb 0.07 -2.31 0.02 0.00 -1.52 0.00 0.00 41.96 38.21 2bjr s TYR 93 CO -0.05 -0.19 -0.20 1.21 0.02 0.00 0.00 175.55 176.34 2bjr s ASN 94 N 1.60 3.18 -0.29 2.29 2.47 -0.52 -4.97 114.94 118.69 2bjr s ASN 94 Ca 0.07 -0.63 -0.29 0.00 0.42 0.00 0.00 52.86 52.43 2bjr s ASN 94 Cb -0.15 -1.48 0.01 0.00 -1.45 0.00 0.00 41.25 38.17 2bjr s ASN 94 CO 0.08 0.02 1.21 0.26 -3.72 0.00 0.00 177.10 174.95 2bjr s TRP 95 N 1.17 2.89 0.23 0.43 0.52 -1.26 -0.67 118.94 122.25 2bjr s TRP 95 Ca 0.02 1.02 0.11 0.00 0.02 0.00 0.00 56.10 57.26 2bjr s TRP 95 Cb -0.14 -3.76 -0.05 0.00 -1.15 0.00 0.00 33.47 28.37 2bjr s TRP 95 CO -0.10 -1.34 -0.16 0.96 0.02 0.00 0.00 176.95 176.33 2bjr s ILE 96 N 3.97 2.74 0.31 2.03 -4.36 -0.05 -4.91 121.20 120.92 2bjr s ILE 96 Ca 0.52 -2.07 -0.30 0.00 -0.26 0.00 0.00 60.65 58.54 2bjr s ILE 96 Cb -0.16 -2.39 -0.11 0.00 1.25 0.00 0.00 42.46 41.05 2bjr s ILE 96 CO 0.19 -0.25 1.55 -0.54 0.24 0.00 0.00 174.94 176.13 2bjr s LYS 97 N -3.15 4.13 0.29 0.37 1.02 -1.26 -0.91 119.74 120.23 2bjr s LYS 97 Ca 0.26 2.55 0.03 0.00 0.02 0.00 0.00 55.97 58.84 2bjr s LYS 97 Cb -0.07 -3.02 0.68 0.00 -0.52 0.00 0.00 37.83 34.90 2bjr s LYS 97 CO 0.14 -0.59 1.76 -0.92 -0.92 0.00 0.00 175.35 174.82 2bjr h TYR 98 N 4.45 0.90 0.00 3.18 3.20 -1.76 -0.34 116.97 126.61 2bjr h TYR 98 Ca -0.48 0.04 -0.02 0.00 3.14 0.00 0.00 58.73 61.41 2bjr h TYR 98 Cb 1.22 -0.26 -0.00 0.00 1.54 0.00 0.00 36.73 39.23 2bjr h TYR 98 CO 0.57 0.16 -0.08 0.66 -1.64 0.00 0.00 178.16 177.84 2bjr h SER 99 N 0.65 0.00 -0.27 -2.11 4.64 -1.69 -2.35 113.55 112.42 2bjr h SER 99 Ca 0.54 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.86 2bjr h SER 99 Cb 0.86 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.95 2bjr h SER 99 CO -0.40 0.08 0.00 0.47 -0.87 0.00 0.00 176.83 176.11 2bjr n ASP 100 N -3.65 1.48 -0.17 4.97 8.00 -0.14 -4.49 116.55 122.55 2bjr n ASP 100 Ca -0.02 -2.01 -0.10 0.00 0.71 0.00 0.00 54.79 53.37 2bjr n ASP 100 Cb 0.19 -0.19 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 2bjr n ASP 100 CO 0.00 0.00 0.00 0.08 -0.39 0.00 0.00 177.20 176.89 2bjr h ARG 101 N 1.57 0.85 -0.39 -1.24 0.11 -1.48 -1.73 114.38 112.06 2bjr h ARG 101 Ca 0.00 -0.25 -0.12 0.00 0.10 0.00 0.00 59.98 59.70 2bjr h ARG 101 Cb 0.38 -0.09 -0.01 0.00 1.11 0.00 0.00 29.97 31.36 2bjr h ARG 101 CO 0.01 0.87 -0.25 0.74 0.10 0.00 0.00 179.97 181.43 2bjr h PHE 102 N 0.71 0.93 -0.50 4.08 -1.00 -1.84 -2.96 116.94 116.37 2bjr h PHE 102 Ca 0.14 -0.23 -0.05 0.00 2.81 0.00 0.00 57.97 60.65 2bjr h PHE 102 Cb 0.47 -0.22 -0.02 0.00 3.61 0.00 0.00 35.95 39.78 2bjr h PHE 102 CO 0.03 0.98 0.12 -0.44 -1.61 0.00 0.00 178.31 177.39 2bjr h ASP 103 N 0.70 0.70 0.00 2.17 3.32 -1.82 -1.43 116.42 120.06 2bjr h ASP 103 Ca 0.09 -0.12 0.00 0.00 0.02 0.00 0.00 57.03 57.02 2bjr h ASP 103 Cb 0.78 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 40.15 2bjr h ASP 103 CO 0.06 0.69 0.00 1.17 -1.72 0.00 0.00 179.24 179.45 2bjr n LYS 104 N -4.29 0.76 0.00 3.56 3.00 -0.67 -2.79 118.16 117.74 2bjr n LYS 104 Ca 0.03 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.34 2bjr n LYS 104 Cb 0.22 -1.22 0.00 0.00 0.00 0.00 0.00 35.03 34.02 2bjr n LYS 104 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 2bjr n ASP 106 N 0.42 0.00 -0.62 3.14 8.00 -0.54 -1.78 116.55 125.17 2bjr n ASP 106 Ca 0.00 0.00 0.08 0.00 0.71 0.00 0.00 54.79 55.58 2bjr n ASP 106 Cb 0.30 0.00 0.26 0.00 -0.02 0.00 0.00 41.12 41.67 2bjr n ASP 106 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 2bjr n LYS 107 N 0.00 1.80 -0.27 -1.24 5.02 -1.12 -4.96 118.16 117.39 2bjr n LYS 107 Ca 0.00 -1.22 0.00 0.00 -2.02 0.00 0.00 58.31 55.07 2bjr n LYS 107 Cb 0.00 -1.34 0.00 0.00 -0.02 0.00 0.00 35.03 33.67 2bjr n LYS 107 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2bjr n GLY 108 N 1.11 0.72 3.78 0.72 0.00 -1.08 -4.98 105.19 105.45 2bjr n GLY 108 Ca 0.14 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.81 2bjr n GLY 108 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bjr s ALA 109 N -2.34 2.78 0.00 4.61 0.00 -0.73 -4.50 121.76 121.58 2bjr s ALA 109 Ca 0.00 0.77 0.00 0.00 0.00 0.00 0.00 51.96 52.73 2bjr s ALA 109 Cb 0.00 -3.33 0.00 0.00 0.00 0.00 0.00 23.12 19.79 2bjr s ALA 109 CO 0.00 -0.61 0.00 0.39 0.00 0.00 0.00 175.76 175.54 2bjr n GLU 110 N -1.10 2.61 -5.24 0.00 1.02 -0.85 -4.78 120.64 112.30 2bjr n GLU 110 Ca 0.10 0.00 -0.32 0.00 -0.02 0.00 0.00 57.16 56.93 2bjr n GLU 110 Cb 0.51 0.00 -0.17 0.00 -0.02 0.00 0.00 31.44 31.76 2bjr n GLU 110 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 2bjr s LEU 112 N 0.00 2.09 0.15 -4.62 2.96 -0.53 0.56 118.68 119.30 2bjr s LEU 112 Ca 0.00 -0.53 -0.20 0.00 -0.22 0.00 0.00 54.13 53.18 2bjr s LEU 112 Cb 0.00 -1.39 0.06 0.00 0.50 0.00 0.00 46.19 45.35 2bjr s LEU 112 CO 0.00 0.21 0.53 0.00 -1.32 0.00 0.00 176.35 175.77 2bjr s ARG 113 N 0.06 1.23 -0.17 1.98 1.70 -1.26 -4.60 118.95 117.89 2bjr s ARG 113 Ca -0.10 -0.58 0.00 0.00 -0.47 0.00 0.00 55.73 54.58 2bjr s ARG 113 Cb -0.16 0.55 0.04 0.00 -0.57 0.00 0.00 34.95 34.81 2bjr s ARG 113 CO 0.06 -0.52 -0.09 0.00 -1.08 0.00 0.00 175.30 173.68 2bjr n GLY 115 N 4.81 3.11 0.73 0.00 0.00 -1.26 -1.30 105.19 111.28 2bjr n GLY 115 Ca -0.14 0.16 0.10 0.00 0.00 0.00 0.00 46.02 46.14 2bjr n GLY 115 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2bjr n ASP 116 N 4.39 2.18 -4.65 1.61 8.00 -1.26 -4.88 116.55 121.93 2bjr n ASP 116 Ca 0.00 -1.84 -0.35 0.00 0.71 0.00 0.00 54.79 53.31 2bjr n ASP 116 Cb 0.00 -0.18 -0.10 0.00 -0.02 0.00 0.00 41.12 40.82 2bjr n ASP 116 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 2bjr s SER 117 N -1.41 5.31 0.02 -2.24 0.15 -0.42 -0.45 113.70 114.66 2bjr s SER 117 Ca 0.33 0.10 0.01 0.00 0.70 0.00 0.00 55.95 57.09 2bjr s SER 117 Cb 0.18 -1.67 -0.02 0.00 -1.71 0.00 0.00 66.02 62.80 2bjr s SER 117 CO 0.26 0.30 -0.05 0.72 1.20 0.00 0.00 173.24 175.66 2bjr s PHE 118 N -0.39 0.46 0.53 3.44 -0.12 -0.53 -1.24 117.98 120.13 2bjr s PHE 118 Ca 0.08 -0.35 -0.22 0.00 -0.05 0.00 0.00 56.93 56.39 2bjr s PHE 118 Cb -0.12 -0.29 -0.05 0.00 -0.63 0.00 0.00 43.02 41.93 2bjr s PHE 118 CO 0.02 -0.08 1.33 -2.14 -0.05 0.00 0.00 175.22 174.30 2bjr s PRO 119 N -1.03 3.25 -0.13 1.99 0.02 -1.26 -0.35 135.00 137.49 2bjr s PRO 119 Ca -0.07 2.16 -0.08 0.00 0.02 0.00 0.00 61.00 63.03 2bjr s PRO 119 Cb -0.07 -2.29 0.05 0.00 0.02 0.00 0.00 34.50 32.21 2bjr s PRO 119 CO -0.00 -1.08 0.31 -1.50 -0.33 0.00 0.00 177.00 174.40 2bjr s ILE 120 N -1.34 -0.03 -0.28 2.83 2.07 -0.72 -4.47 121.20 119.27 2bjr s ILE 120 Ca 0.70 0.09 -0.05 0.00 -1.41 0.00 0.00 60.65 59.99 2bjr s ILE 120 Cb -0.38 -0.46 0.02 0.00 0.13 0.00 0.00 42.46 41.76 2bjr s ILE 120 CO 0.46 0.04 0.02 -0.22 -1.91 0.00 0.00 174.94 173.33 2bjr s LEU 121 N 1.01 3.63 -1.32 8.50 2.96 0.01 -1.65 118.68 131.82 2bjr s LEU 121 Ca -0.07 -0.83 -0.15 0.00 -0.22 0.00 0.00 54.13 52.86 2bjr s LEU 121 Cb -0.08 -1.79 0.10 0.00 0.50 0.00 0.00 46.19 44.92 2bjr s LEU 121 CO -0.07 -0.18 1.81 1.87 -1.32 0.00 0.00 176.35 178.46 2bjr n TRP 122 N 4.77 4.26 0.12 5.38 -0.00 -0.03 -1.64 117.44 130.30 2bjr n TRP 122 Ca -0.15 -2.98 0.00 0.00 -0.00 0.00 0.00 57.50 54.37 2bjr n TRP 122 Cb 0.47 -2.44 0.30 0.00 -0.00 0.00 0.00 31.31 29.64 2bjr n TRP 122 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 177.69 178.35 2bjr h SER 123 N 6.88 0.19 -0.65 5.87 4.64 -1.88 -2.98 113.55 125.62 2bjr h SER 123 Ca 0.44 -0.06 0.00 0.00 -0.47 0.00 0.00 61.79 61.70 2bjr h SER 123 Cb 0.79 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 62.82 2bjr h SER 123 CO 1.54 0.51 0.00 -0.62 -0.87 0.00 0.00 176.83 177.39 2bjr n GLU 124 N -4.11 3.09 -1.68 4.77 -0.58 -1.26 -4.25 120.64 116.62 2bjr n GLU 124 Ca -0.01 -2.59 -0.46 0.00 -0.42 0.00 0.00 57.16 53.67 2bjr n GLU 124 Cb 0.41 -1.70 -0.04 0.00 -0.57 0.00 0.00 31.44 29.53 2bjr n GLU 124 CO 0.00 0.00 0.00 -2.13 -0.48 0.00 0.00 177.13 174.52 2bjr n ARG 125 N 1.30 2.23 -1.68 3.49 0.63 -1.14 -4.89 116.66 116.60 2bjr n ARG 125 Ca 0.24 0.81 -0.45 0.00 -0.92 0.00 0.00 57.85 57.52 2bjr n ARG 125 Cb 0.71 -2.62 -0.04 0.00 0.45 0.00 0.00 32.46 30.97 2bjr n ARG 125 CO 0.00 0.00 0.00 -2.30 -2.51 0.00 0.00 177.63 172.82 2bjr n PRO 126 N 4.78 2.21 -0.64 -0.14 -0.02 -1.26 -2.11 135.00 137.83 2bjr n PRO 126 Ca 0.19 0.80 0.00 0.00 -2.02 0.00 0.00 63.50 62.47 2bjr n PRO 126 Cb 0.30 -2.56 0.00 0.00 -0.02 0.00 0.00 33.50 31.22 2bjr n PRO 126 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2bjr n GLY 127 N 3.31 0.79 0.00 -1.23 0.00 -1.26 -4.93 105.19 101.87 2bjr n GLY 127 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 2bjr n GLY 127 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2bjr n GLY 128 N -2.12 4.51 3.73 -0.02 0.00 -0.90 -5.11 105.19 105.28 2bjr n GLY 128 Ca 0.00 -1.04 -0.35 0.00 0.00 0.00 0.00 46.02 44.64 2bjr n GLY 128 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bjr s ALA 129 N -0.76 2.25 -0.00 4.61 0.00 -1.26 -4.50 121.76 122.11 2bjr s ALA 129 Ca 0.00 0.94 0.04 0.00 0.00 0.00 0.00 51.96 52.94 2bjr s ALA 129 Cb 0.00 -3.47 -0.01 0.00 0.00 0.00 0.00 23.12 19.63 2bjr s ALA 129 CO 0.00 -1.68 -0.13 -0.51 0.00 0.00 0.00 175.76 173.44 2bjr s LEU 130 N -4.83 2.05 -0.17 0.00 1.43 -1.14 -5.01 118.68 111.02 2bjr s LEU 130 Ca 0.76 -0.27 -0.05 0.00 -1.03 0.00 0.00 54.13 53.54 2bjr s LEU 130 Cb -0.30 -0.63 -0.03 0.00 0.03 0.00 0.00 46.19 45.26 2bjr s LEU 130 CO 0.42 0.13 -0.01 -0.22 0.23 0.00 0.00 176.35 176.90 2bjr s LEU 131 N -0.45 3.41 0.00 1.79 2.96 -1.26 -0.85 118.68 124.27 2bjr s LEU 131 Ca 0.04 -0.08 0.00 0.00 -0.22 0.00 0.00 54.13 53.87 2bjr s LEU 131 Cb -0.05 -1.84 0.00 0.00 0.50 0.00 0.00 46.19 44.80 2bjr s LEU 131 CO -0.00 0.16 0.00 0.61 -1.32 0.00 0.00 176.35 175.80 2bjr n GLY 132 N 3.60 5.06 3.00 7.98 0.00 -0.66 -4.24 105.19 119.94 2bjr n GLY 132 Ca -0.17 -0.83 -0.09 0.00 0.00 0.00 0.00 46.02 44.93 2bjr n GLY 132 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2bjr s TYR 133 N 1.00 0.32 0.03 1.61 -0.85 -0.80 -1.75 117.35 116.91 2bjr s TYR 133 Ca 0.00 -0.63 0.02 0.00 -0.52 0.00 0.00 57.07 55.94 2bjr s TYR 133 Cb 0.00 -0.23 -0.04 0.00 0.38 0.00 0.00 41.96 42.07 2bjr s TYR 133 CO 0.00 -0.22 0.01 0.00 -1.52 0.00 0.00 175.55 173.82 2bjr s ALA 134 N -1.91 3.34 -0.31 9.51 0.00 0.52 -0.51 121.76 132.39 2bjr s ALA 134 Ca -0.12 -0.99 -0.07 0.00 0.00 0.00 0.00 51.96 50.79 2bjr s ALA 134 Cb -0.07 -1.33 0.02 0.00 0.00 0.00 0.00 23.12 21.74 2bjr s ALA 134 CO -0.03 0.67 0.09 0.34 0.00 0.00 0.00 175.76 176.84 2bjr s ASP 135 N -1.83 5.22 0.00 0.00 2.15 -0.71 -1.46 116.67 120.04 2bjr s ASP 135 Ca 0.22 -0.86 0.05 0.00 0.43 0.00 0.00 52.55 52.39 2bjr s ASP 135 Cb -0.12 -1.88 0.22 0.00 -0.30 0.00 0.00 42.92 40.83 2bjr s ASP 135 CO 0.14 -0.24 1.06 -3.20 -0.17 0.00 0.00 175.17 172.75 2bjr n ASN 136 N 4.86 0.00 0.04 -0.34 5.15 0.40 -0.16 115.26 125.20 2bjr n ASN 136 Ca -0.14 0.36 -0.03 0.00 -0.60 0.00 0.00 54.58 54.17 2bjr n ASN 136 Cb 0.47 -0.39 -0.01 0.00 -0.53 0.00 0.00 39.78 39.31 2bjr n ASN 136 CO 0.00 0.00 0.00 0.11 1.40 0.00 0.00 177.26 178.77 2bjr h LYS 137 N 0.00 -0.17 0.00 1.20 1.57 -1.93 -3.37 116.57 113.86 2bjr h LYS 137 Ca 0.00 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 2bjr h LYS 137 Cb 0.06 0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.41 2bjr h LYS 137 CO 0.00 -0.12 -0.55 1.79 -0.57 0.00 0.00 179.45 180.01 2bjr h THR 138 N -0.83 0.00 -3.36 -0.16 1.35 -1.96 -3.47 112.91 104.48 2bjr h THR 138 Ca -0.02 -0.78 -0.40 0.00 -0.55 0.00 0.00 66.41 64.66 2bjr h THR 138 Cb 0.14 1.48 0.01 0.00 -1.73 0.00 0.00 68.15 68.04 2bjr h THR 138 CO 0.03 0.00 -0.54 -0.62 -0.25 0.00 0.00 175.52 174.14 2bjr n GLU 139 N -2.55 -2.66 -4.16 4.72 1.02 0.77 -5.01 120.64 112.77 2bjr n GLU 139 Ca 0.03 0.95 -0.35 0.00 -0.02 0.00 0.00 57.16 57.77 2bjr n GLU 139 Cb 0.50 -5.64 -0.09 0.00 -0.02 0.00 0.00 31.44 26.19 2bjr n GLU 139 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 2bjr s ILE 140 N -3.06 4.62 -0.12 -3.67 1.01 -1.22 -4.47 121.20 114.28 2bjr s ILE 140 Ca 0.10 -0.11 -0.13 0.00 0.00 0.00 0.00 60.65 60.51 2bjr s ILE 140 Cb -0.04 -3.02 -0.05 0.00 0.01 0.00 0.00 42.46 39.36 2bjr s ILE 140 CO 0.12 0.54 0.29 0.00 0.00 0.00 0.00 174.94 175.88 2bjr s ALA 141 N -0.25 3.66 -0.06 9.38 0.00 0.17 -1.74 121.76 132.92 2bjr s ALA 141 Ca 0.07 -0.44 0.06 0.00 0.00 0.00 0.00 51.96 51.65 2bjr s ALA 141 Cb -0.12 -2.32 -0.01 0.00 0.00 0.00 0.00 23.12 20.67 2bjr s ALA 141 CO 0.02 0.25 -0.24 1.03 0.00 0.00 0.00 175.76 176.82 2bjr s ARG 142 N -0.08 2.55 -0.13 0.00 0.52 0.33 -1.11 118.95 121.03 2bjr s ARG 142 Ca 0.18 -0.87 -0.01 0.00 -0.52 0.00 0.00 55.73 54.51 2bjr s ARG 142 Cb -0.14 -2.12 0.04 0.00 0.52 0.00 0.00 34.95 33.25 2bjr s ARG 142 CO 0.06 0.33 -0.03 -0.06 0.02 0.00 0.00 175.30 175.62 2bjr s PHE 143 N -0.06 1.23 -0.04 -0.53 0.40 -0.65 -1.90 117.98 116.43 2bjr s PHE 143 Ca -0.06 -0.68 -0.22 0.00 -0.60 0.00 0.00 56.93 55.37 2bjr s PHE 143 Cb -0.14 -1.10 -0.05 0.00 0.51 0.00 0.00 43.02 42.25 2bjr s PHE 143 CO 0.04 -0.50 0.63 -1.54 0.70 0.00 0.00 175.22 174.55 2bjr s SER 144 N 1.79 6.95 -0.28 1.36 1.04 -1.26 -0.52 113.70 122.78 2bjr s SER 144 Ca 0.03 1.14 -0.23 0.00 0.48 0.00 0.00 55.95 57.37 2bjr s SER 144 Cb -0.14 -2.38 0.12 0.00 0.10 0.00 0.00 66.02 63.72 2bjr s SER 144 CO -0.07 -0.00 0.98 -1.38 0.98 0.00 0.00 173.24 173.74 2bjr s HIS 145 N 0.32 -0.55 -1.68 5.02 -3.43 -0.53 -4.94 115.29 109.49 2bjr s HIS 145 Ca 0.33 1.27 -0.02 0.00 -0.80 0.00 0.00 55.06 55.84 2bjr s HIS 145 Cb -0.18 0.37 0.00 0.00 -1.43 0.00 0.00 32.58 31.34 2bjr s HIS 145 CO 0.17 -0.27 0.31 -0.25 -2.00 0.00 0.00 174.74 172.70 2bjr n ASP 146 N 2.69 -6.06 0.00 7.38 8.00 -1.26 -0.66 116.55 126.64 2bjr n ASP 146 Ca -0.14 -0.16 0.00 0.00 0.71 0.00 0.00 54.79 55.20 2bjr n ASP 146 Cb 0.56 -4.97 0.00 0.00 -0.02 0.00 0.00 41.12 36.69 2bjr n ASP 146 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2bjr n GLY 147 N -1.28 0.85 3.53 0.44 0.00 -1.26 -5.02 105.19 102.45 2bjr n GLY 147 Ca -0.18 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.59 2bjr n GLY 147 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2bjr s LYS 148 N -0.14 1.81 -0.16 1.61 1.02 0.16 -3.98 119.74 120.06 2bjr s LYS 148 Ca 0.00 -2.02 -0.00 0.00 0.02 0.00 0.00 55.97 53.97 2bjr s LYS 148 Cb 0.00 -1.22 0.04 0.00 -0.52 0.00 0.00 37.83 36.13 2bjr s LYS 148 CO 0.00 -0.14 -0.08 0.08 -0.92 0.00 0.00 175.35 174.29 2bjr s VAL 149 N -3.03 1.30 0.43 3.17 1.01 -1.26 -1.46 120.40 120.56 2bjr s VAL 149 Ca 0.35 -0.66 -0.22 0.00 0.00 0.00 0.00 61.98 61.45 2bjr s VAL 149 Cb 0.09 -1.38 -0.09 0.00 0.00 0.00 0.00 36.38 35.01 2bjr s VAL 149 CO 0.16 0.24 1.04 -1.81 0.00 0.00 0.00 175.10 174.73 2bjr s ASP 150 N 1.57 6.63 -0.10 3.32 1.01 0.33 -4.87 116.67 124.56 2bjr s ASP 150 Ca 0.02 1.97 0.01 0.00 0.71 0.00 0.00 52.55 55.26 2bjr s ASP 150 Cb -0.15 -2.57 0.02 0.00 1.01 0.00 0.00 42.92 41.23 2bjr s ASP 150 CO -0.08 -0.58 -0.12 -1.61 0.21 0.00 0.00 175.17 172.98 2bjr s GLU 151 N -2.80 1.87 -0.00 8.23 2.02 -1.26 -1.64 118.70 125.11 2bjr s GLU 151 Ca 0.61 -0.43 0.01 0.00 0.02 0.00 0.00 54.97 55.19 2bjr s GLU 151 Cb -0.19 -1.66 -0.00 0.00 0.10 0.00 0.00 34.13 32.38 2bjr s GLU 151 CO 0.24 -0.09 -0.04 0.08 0.02 0.00 0.00 175.26 175.46 2bjr s VAL 152 N 1.09 0.33 0.31 2.63 1.01 -0.27 -4.97 120.40 120.54 2bjr s VAL 152 Ca -0.06 -0.22 -0.03 0.00 0.00 0.00 0.00 61.98 61.67 2bjr s VAL 152 Cb -0.14 -0.29 0.01 0.00 0.00 0.00 0.00 36.38 35.95 2bjr s VAL 152 CO -0.02 0.06 0.45 -1.54 0.00 0.00 0.00 175.10 174.05 2bjr n SER 153 N 2.90 -1.26 0.00 3.32 3.41 -1.26 -0.65 113.62 120.07 2bjr n SER 153 Ca -0.13 -2.60 0.00 0.00 -0.26 0.00 0.00 58.87 55.88 2bjr n SER 153 Cb 0.58 2.31 0.00 0.00 -0.26 0.00 0.00 64.21 66.84 2bjr n SER 153 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2bjr n GLY 154 N -0.49 0.74 0.31 5.00 0.00 -1.26 -3.62 105.19 105.86 2bjr n GLY 154 Ca -0.00 -0.77 0.20 0.00 0.00 0.00 0.00 46.02 45.45 2bjr n GLY 154 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2bjr h SER 155 N 8.79 0.00 0.36 1.61 4.64 -2.00 -2.21 113.55 124.74 2bjr h SER 155 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2bjr h SER 155 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 2bjr h SER 155 CO 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.96 2bjr h ALA 156 N 2.00 1.00 0.00 5.18 0.00 -1.98 -1.78 119.26 123.67 2bjr h ALA 156 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2bjr h ALA 156 Cb 0.25 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.04 2bjr h ALA 156 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 179.25 179.18 2bjr h LEU 157 N 0.00 0.00 -0.90 0.00 3.38 -1.60 -3.41 115.31 112.79 2bjr h LEU 157 Ca 0.00 0.00 0.20 0.00 0.09 0.00 0.00 57.88 58.17 2bjr h LEU 157 Cb 0.18 0.00 -0.12 0.00 0.09 0.00 0.00 40.66 40.81 2bjr h LEU 157 CO 0.00 0.00 0.42 0.00 0.09 0.00 0.00 178.44 178.95 2bjr h ALA 158 N 2.26 1.43 -1.99 1.53 0.00 -1.51 -3.40 119.26 117.58 2bjr h ALA 158 Ca 0.00 0.14 -0.80 0.00 0.00 0.00 0.00 54.91 54.25 2bjr h ALA 158 Cb 0.85 0.09 -0.26 0.00 0.00 0.00 0.00 17.79 18.47 2bjr h ALA 158 CO 0.00 -0.27 0.85 0.09 0.00 0.00 0.00 179.25 179.92 2bjr n ASN 159 N -4.98 5.96 -3.81 0.00 5.03 -1.26 -2.17 115.26 114.02 2bjr n ASN 159 Ca 0.21 -3.25 -0.12 0.00 0.87 0.00 0.00 54.58 52.29 2bjr n ASN 159 Cb 0.61 -1.34 -0.12 0.00 -1.02 0.00 0.00 39.78 37.90 2bjr n ASN 159 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 2bjr s LEU 161 N -1.83 1.35 0.24 3.41 1.43 -0.65 -4.79 118.68 117.84 2bjr s LEU 161 Ca 0.33 0.33 0.07 0.00 -1.03 0.00 0.00 54.13 53.82 2bjr s LEU 161 Cb 0.00 0.56 -0.05 0.00 0.03 0.00 0.00 46.19 46.73 2bjr s LEU 161 CO 0.03 -0.06 -0.09 0.27 0.23 0.00 0.00 176.35 176.74 2bjr s ILE 162 N 0.12 1.59 -0.22 -0.59 -4.36 -0.09 -0.81 121.20 116.84 2bjr s ILE 162 Ca -0.00 -2.15 -0.17 0.00 -0.26 0.00 0.00 60.65 58.07 2bjr s ILE 162 Cb -0.01 -2.26 -0.03 0.00 1.25 0.00 0.00 42.46 41.40 2bjr s ILE 162 CO 0.00 -0.43 0.46 -0.63 0.24 0.00 0.00 174.94 174.58 2bjr s ILE 163 N -3.06 5.13 -0.15 8.37 1.01 -1.26 -0.87 121.20 130.38 2bjr s ILE 163 Ca 0.26 0.82 -0.12 0.00 0.00 0.00 0.00 60.65 61.61 2bjr s ILE 163 Cb 0.02 -3.79 -0.05 0.00 0.01 0.00 0.00 42.46 38.66 2bjr s ILE 163 CO 0.09 0.18 0.24 0.00 0.00 0.00 0.00 174.94 175.45 2bjr s ALA 164 N 1.73 3.68 -0.53 9.38 0.00 0.15 -1.45 121.76 134.72 2bjr s ALA 164 Ca 0.21 -0.52 -0.29 0.00 0.00 0.00 0.00 51.96 51.36 2bjr s ALA 164 Cb -0.15 -2.26 0.03 0.00 0.00 0.00 0.00 23.12 20.73 2bjr s ALA 164 CO 0.09 0.24 1.19 1.03 0.00 0.00 0.00 175.76 178.31 2bjr s ARG 165 N 0.01 3.60 -0.23 0.00 0.52 0.19 -1.44 118.95 121.60 2bjr s ARG 165 Ca 0.15 0.43 -0.26 0.00 -0.52 0.00 0.00 55.73 55.52 2bjr s ARG 165 Cb -0.13 -3.97 0.00 0.00 0.52 0.00 0.00 34.95 31.37 2bjr s ARG 165 CO 0.03 -1.55 0.91 -1.21 0.02 0.00 0.00 175.30 173.50 2bjr s GLU 166 N 4.75 4.22 0.01 3.54 0.41 0.37 -2.01 118.70 130.00 2bjr s GLU 166 Ca 0.46 1.11 0.22 0.00 -0.41 0.00 0.00 54.97 56.36 2bjr s GLU 166 Cb -0.08 -3.64 -0.05 0.00 -1.78 0.00 0.00 34.13 28.58 2bjr s GLU 166 CO 0.29 -0.55 0.98 1.28 -0.49 0.00 0.00 175.26 176.77 2bjr n LEU 167 N 6.07 0.74 -3.96 1.80 4.77 -1.26 -2.47 117.00 122.68 2bjr n LEU 167 Ca 0.08 -0.26 -0.20 0.00 -0.03 0.00 0.00 56.01 55.60 2bjr n LEU 167 Cb 0.47 -0.06 -0.16 0.00 -2.33 0.00 0.00 43.42 41.34 2bjr n LEU 167 CO 0.49 0.16 -0.43 -1.59 -1.33 0.00 0.00 177.39 174.70 2bjr s LYS 168 N -3.09 0.93 0.00 3.23 -2.85 -1.26 -4.83 119.74 111.86 2bjr s LYS 168 Ca 0.06 -0.24 0.00 0.00 -1.00 0.00 0.00 55.97 54.79 2bjr s LYS 168 Cb 0.16 -0.87 0.00 0.00 -2.06 0.00 0.00 37.83 35.05 2bjr s LYS 168 CO 0.83 0.04 0.00 0.41 0.10 0.00 0.00 175.35 176.73 2bjr n GLY 169 N 3.54 -1.20 3.84 0.59 0.00 -1.26 -5.04 105.19 105.65 2bjr n GLY 169 Ca -0.21 -1.61 -0.30 0.00 0.00 0.00 0.00 46.02 43.90 2bjr n GLY 169 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2bjr s GLY 170 N -3.69 2.76 0.87 -0.02 0.00 -1.26 -4.88 107.32 101.10 2bjr s GLY 170 Ca 0.00 -0.65 -0.11 0.00 0.00 0.00 0.00 44.72 43.96 2bjr s GLY 170 CO 0.00 -2.09 1.10 2.56 0.00 0.00 0.00 173.10 174.67 2bjr s PRO 171 N -4.08 1.46 0.33 2.90 0.04 -1.26 -4.93 135.00 129.46 2bjr s PRO 171 Ca 0.17 1.17 0.04 0.00 0.04 0.00 0.00 61.00 62.41 2bjr s PRO 171 Cb -0.01 -1.81 0.64 0.00 0.04 0.00 0.00 34.50 33.37 2bjr s PRO 171 CO 0.10 -2.21 1.93 -1.35 0.04 0.00 0.00 177.00 175.52 2bjr h PRO 172 N -1.54 0.86 -0.46 0.56 0.11 -2.02 -2.70 132.00 126.81 2bjr h PRO 172 Ca -0.46 -0.05 -0.15 0.00 0.11 0.00 0.00 66.00 65.45 2bjr h PRO 172 Cb 1.26 -0.19 -0.09 0.00 0.11 0.00 0.00 31.00 32.09 2bjr h PRO 172 CO 0.49 0.57 0.09 0.66 -0.21 0.00 0.00 178.00 179.60 2bjr n TYR 173 N -4.49 1.52 -2.21 0.65 4.02 -1.26 -4.99 117.16 110.41 2bjr n TYR 173 Ca 0.12 -1.27 -0.42 0.00 -0.01 0.00 0.00 57.90 56.33 2bjr n TYR 173 Cb 0.22 -0.51 -0.03 0.00 -0.02 0.00 0.00 39.34 39.00 2bjr n TYR 173 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2bjr n GLU 175 N 3.27 3.24 -0.82 0.00 1.02 -1.26 -4.66 120.64 121.43 2bjr n GLU 175 Ca 0.09 -2.68 -0.30 0.00 -0.02 0.00 0.00 57.16 54.25 2bjr n GLU 175 Cb 0.43 -1.75 0.18 0.00 -0.02 0.00 0.00 31.44 30.28 2bjr n GLU 175 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2bjr h GLU 177 N -1.96 1.00 0.00 0.00 4.57 -1.98 -1.60 114.58 114.61 2bjr h GLU 177 Ca -0.50 -0.43 -0.13 0.00 -1.18 0.00 0.00 59.36 57.12 2bjr h GLU 177 Cb 1.29 -0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 29.83 2bjr h GLU 177 CO 0.48 1.11 -0.63 1.05 -1.18 0.00 0.00 179.01 179.84 2bjr h GLU 178 N 0.86 0.00 -0.52 1.92 4.11 -1.98 -2.51 114.58 116.47 2bjr h GLU 178 Ca 0.11 0.00 -0.07 0.00 0.07 0.00 0.00 59.36 59.48 2bjr h GLU 178 Cb 0.80 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.02 2bjr h GLU 178 CO 0.07 0.63 0.06 0.00 0.07 0.00 0.00 179.01 179.83 2bjr h LYS 180 N 0.80 0.00 -0.84 0.00 1.57 -0.96 -2.88 116.57 114.26 2bjr h LYS 180 Ca 0.16 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 58.87 2bjr h LYS 180 Cb 0.39 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.66 2bjr h LYS 180 CO 0.01 0.15 0.09 -1.13 -0.57 0.00 0.00 179.45 178.00 2bjr n SER 181 N -3.76 3.48 -4.86 0.86 3.41 -0.97 -4.92 113.62 106.86 2bjr n SER 181 Ca -0.02 -2.58 -0.25 0.00 -0.26 0.00 0.00 58.87 55.76 2bjr n SER 181 Cb 0.26 -0.62 -0.04 0.00 -0.26 0.00 0.00 64.21 63.55 2bjr n SER 181 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 2bjr s GLU 182 N -1.88 3.12 0.23 4.33 2.12 -1.09 -5.07 118.70 120.46 2bjr s GLU 182 Ca 0.29 -0.80 -0.31 0.00 0.36 0.00 0.00 54.97 54.51 2bjr s GLU 182 Cb 0.23 -2.76 -0.14 0.00 0.26 0.00 0.00 34.13 31.72 2bjr s GLU 182 CO 0.08 0.48 1.32 -2.30 -0.54 0.00 0.00 175.26 174.30 2bjr n PRO 183 N -0.60 1.81 -1.80 4.30 -0.02 -1.26 -4.93 135.00 132.51 2bjr n PRO 183 Ca -0.08 0.64 -0.38 0.00 -2.02 0.00 0.00 63.50 61.67 2bjr n PRO 183 Cb 0.55 -2.25 0.05 0.00 -0.02 0.00 0.00 33.50 31.83 2bjr n PRO 183 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 2bjr s PRO 184 N -0.56 3.02 0.00 0.52 0.02 -1.26 -5.17 135.00 131.57 2bjr s PRO 184 Ca 0.68 2.17 0.00 0.00 0.02 0.00 0.00 61.00 63.87 2bjr s PRO 184 Cb -0.69 -2.15 0.00 0.00 0.02 0.00 0.00 34.50 31.68 2bjr s PRO 184 CO 0.52 -1.27 0.00 1.63 -0.33 0.00 0.00 177.00 177.55 2bjr n LYS 185 N -1.23 0.00 -3.75 5.54 5.02 -1.26 -5.30 118.16 117.17 2bjr n LYS 185 Ca 0.12 0.00 -0.26 0.00 -2.02 0.00 0.00 58.31 56.15 2bjr n LYS 185 Cb 0.46 0.00 -0.17 0.00 -0.02 0.00 0.00 35.03 35.30 2bjr n LYS 185 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2bjr s VAL 188 N 3.16 0.46 0.30 -0.18 1.01 -1.26 -5.27 120.40 118.62 2bjr s VAL 188 Ca 0.00 -0.24 -0.29 0.00 0.00 0.00 0.00 61.98 61.45 2bjr s VAL 188 Cb 0.00 -0.80 -0.10 0.00 0.00 0.00 0.00 36.38 35.48 2bjr s VAL 188 CO 0.00 0.01 1.36 -0.13 0.00 0.00 0.00 175.10 176.34 2bjr s ARG 189 N 1.91 4.31 0.13 2.72 1.81 -1.26 -4.97 118.95 123.60 2bjr s ARG 189 Ca 0.02 2.26 -0.30 0.00 -1.72 0.00 0.00 55.73 55.98 2bjr s ARG 189 Cb -0.15 -3.08 -0.07 0.00 -0.45 0.00 0.00 34.95 31.20 2bjr s ARG 189 CO -0.07 -0.29 1.15 0.08 -0.68 0.00 0.00 175.30 175.49 2bjr s VAL 190 N -0.69 3.91 -0.84 3.52 1.01 0.55 -4.59 120.40 123.27 2bjr s VAL 190 Ca 0.53 1.52 0.07 0.00 0.00 0.00 0.00 61.98 64.10 2bjr s VAL 190 Cb -0.41 -3.97 0.05 0.00 0.00 0.00 0.00 36.38 32.05 2bjr s VAL 190 CO 0.50 0.20 0.71 0.35 0.00 0.00 0.00 175.10 176.85 2bjr n THR 191 N 3.04 0.00 -3.88 3.92 -2.24 -1.26 0.46 114.28 114.32 2bjr n THR 191 Ca 0.05 -0.50 -0.37 0.00 -2.27 0.00 0.00 64.05 60.97 2bjr n THR 191 Cb 0.46 1.14 -0.06 0.00 -2.10 0.00 0.00 70.33 69.77 2bjr n THR 191 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 2bjr s LEU 192 N -0.62 4.36 0.30 3.22 1.43 -1.26 -4.80 118.68 121.31 2bjr s LEU 192 Ca 0.08 0.45 -0.30 0.00 -1.03 0.00 0.00 54.13 53.33 2bjr s LEU 192 Cb 0.06 -2.07 -0.12 0.00 0.03 0.00 0.00 46.19 44.09 2bjr s LEU 192 CO 0.09 0.40 1.51 0.59 0.23 0.00 0.00 176.35 179.16 2bjr n ASN 193 N 2.08 3.49 -4.68 2.29 5.03 -1.26 -4.97 115.26 117.24 2bjr n ASN 193 Ca -0.20 1.16 -0.39 0.00 0.87 0.00 0.00 54.58 56.03 2bjr n ASN 193 Cb 0.55 -1.55 -0.06 0.00 -1.02 0.00 0.00 39.78 37.69 2bjr n ASN 193 CO 0.00 0.00 0.00 -0.70 -1.83 0.00 0.00 177.26 174.73 2bjr s GLU 194 N -0.84 4.23 -0.12 3.52 2.56 -1.26 -5.05 118.70 121.74 2bjr s GLU 194 Ca 0.63 0.45 0.00 0.00 0.00 0.00 0.00 54.97 56.05 2bjr s GLU 194 Cb -0.53 -3.53 0.02 0.00 2.00 0.00 0.00 34.13 32.08 2bjr s GLU 194 CO 0.52 -0.08 -0.12 -1.58 -0.56 0.00 0.00 175.26 173.44 2bjr s TRP 195 N 1.41 1.87 -0.09 5.30 0.52 -1.26 -1.15 118.94 125.55 2bjr s TRP 195 Ca 0.25 -0.97 -0.05 0.00 0.02 0.00 0.00 56.10 55.35 2bjr s TRP 195 Cb -0.15 -1.42 -0.04 0.00 -1.15 0.00 0.00 33.47 30.71 2bjr s TRP 195 CO 0.10 -0.56 0.12 0.00 0.02 0.00 0.00 176.95 176.62 2bjr s ALA 196 N 1.42 3.76 -0.17 0.98 0.00 0.71 -4.85 121.76 123.61 2bjr s ALA 196 Ca 0.02 -0.71 -0.20 0.00 0.00 0.00 0.00 51.96 51.07 2bjr s ALA 196 Cb -0.13 -1.83 -0.03 0.00 0.00 0.00 0.00 23.12 21.12 2bjr s ALA 196 CO -0.07 0.64 0.59 -0.51 0.00 0.00 0.00 175.76 176.41 2bjr s ASP 197 N -1.20 6.71 0.05 0.00 1.01 -1.26 -0.61 116.67 121.36 2bjr s ASP 197 Ca 0.17 0.85 -0.03 0.00 0.71 0.00 0.00 52.55 54.26 2bjr s ASP 197 Cb -0.12 -2.34 -0.03 0.00 1.01 0.00 0.00 42.92 41.45 2bjr s ASP 197 CO 0.07 -0.19 0.03 -0.36 0.21 0.00 0.00 175.17 174.93 2bjr s PHE 198 N 1.48 0.39 0.00 4.23 0.40 -0.97 -4.69 117.98 118.82 2bjr s PHE 198 Ca 0.29 -0.86 -0.02 0.00 -0.60 0.00 0.00 56.93 55.73 2bjr s PHE 198 Cb -0.16 -0.28 -0.04 0.00 0.51 0.00 0.00 43.02 43.05 2bjr s PHE 198 CO 0.11 -0.39 0.18 1.03 0.70 0.00 0.00 175.22 176.85 2bjr s ARG 199 N -3.52 3.40 0.34 0.44 0.52 -1.26 -1.13 118.95 117.74 2bjr s ARG 199 Ca 0.03 -0.35 -0.28 0.00 -0.52 0.00 0.00 55.73 54.60 2bjr s ARG 199 Cb 0.05 -3.07 -0.12 0.00 0.52 0.00 0.00 34.95 32.33 2bjr s ARG 199 CO -0.09 0.66 1.33 0.00 0.02 0.00 0.00 175.30 177.23 2bjr n GLY 201 N 0.82 2.47 3.71 0.00 0.00 -0.21 -4.78 105.19 107.20 2bjr n GLY 201 Ca 0.05 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.73 2bjr n GLY 201 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2bjr s ASP 202 N -1.87 3.85 0.34 1.61 1.01 -0.54 -4.60 116.67 116.47 2bjr s ASP 202 Ca 0.00 2.40 -0.28 0.00 0.71 0.00 0.00 52.55 55.38 2bjr s ASP 202 Cb 0.00 -2.59 -0.12 0.00 1.01 0.00 0.00 42.92 41.21 2bjr s ASP 202 CO 0.00 -2.50 1.29 -2.65 0.21 0.00 0.00 175.17 171.52 2bjr n PRO 203 N -3.00 2.12 -1.68 8.23 -0.02 -1.26 -0.57 135.00 138.82 2bjr n PRO 203 Ca 0.14 0.74 -0.45 0.00 -2.02 0.00 0.00 63.50 61.92 2bjr n PRO 203 Cb 0.50 -2.32 -0.03 0.00 -0.02 0.00 0.00 33.50 31.63 2bjr n PRO 203 CO 0.00 0.00 0.00 1.87 1.98 0.00 0.00 175.50 179.35 2bjr n TRP 204 N 0.33 2.32 -1.00 6.00 -0.00 0.38 -4.63 117.44 120.84 2bjr n TRP 204 Ca 0.05 0.34 -0.30 0.00 -0.00 0.00 0.00 57.50 57.59 2bjr n TRP 204 Cb 0.36 -2.51 -0.02 0.00 -0.00 0.00 0.00 31.31 29.13 2bjr n TRP 204 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 177.69 177.34 2bjr n PRO 205 N 2.52 2.53 0.28 5.87 -0.04 -1.26 -4.59 135.00 140.31 2bjr n PRO 205 Ca 0.13 -1.78 0.11 0.00 -0.04 0.00 0.00 63.50 61.92 2bjr n PRO 205 Cb 0.32 -2.65 0.58 0.00 -0.04 0.00 0.00 33.50 31.71 2bjr n PRO 205 CO 0.00 0.00 0.00 1.79 -0.04 0.00 0.00 175.50 177.25 2bjr h THR 206 N 3.45 0.00 -0.00 0.52 1.35 -1.97 0.20 112.91 116.46 2bjr h THR 206 Ca 0.60 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.46 2bjr h THR 206 Cb 0.27 0.47 0.00 0.00 -1.73 0.00 0.00 68.15 67.16 2bjr h THR 206 CO 1.62 0.00 -0.09 1.33 -0.25 0.00 0.00 175.52 178.13 2bjr n VAL 207 N -2.57 0.00 -4.58 6.82 0.24 -1.26 -4.96 118.33 112.02 2bjr n VAL 207 Ca -0.01 -0.05 -0.26 0.00 -2.04 0.00 0.00 64.34 61.98 2bjr n VAL 207 Cb 0.43 -0.18 -0.06 0.00 -1.47 0.00 0.00 33.84 32.56 2bjr n VAL 207 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2bjr n GLY 208 N 1.28 3.58 2.68 7.63 0.00 0.71 -5.12 105.19 115.95 2bjr n GLY 208 Ca 0.14 -2.27 -0.26 0.00 0.00 0.00 0.00 46.02 43.63 2bjr n GLY 208 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2bjr n THR 209 N -0.98 2.51 -1.41 2.61 -2.24 -1.26 -5.06 114.28 108.45 2bjr n THR 209 Ca -0.14 -5.34 -0.32 0.00 -2.27 0.00 0.00 64.05 55.97 2bjr n THR 209 Cb 0.53 -1.62 0.08 0.00 -2.10 0.00 0.00 70.33 67.22 2bjr n THR 209 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 2bjr s PRO 210 N -2.97 2.35 -0.43 -0.78 0.04 -1.26 -0.64 135.00 131.31 2bjr s PRO 210 Ca 0.45 1.33 -0.16 0.00 0.04 0.00 0.00 61.00 62.66 2bjr s PRO 210 Cb 0.23 -1.90 0.03 0.00 0.04 0.00 0.00 34.50 32.90 2bjr s PRO 210 CO -0.09 -1.59 0.38 0.08 0.04 0.00 0.00 177.00 175.82 2bjr s VAL 211 N -2.60 5.18 0.15 -0.36 1.01 -1.11 -4.72 120.40 117.95 2bjr s VAL 211 Ca 0.65 -0.59 -0.28 0.00 0.00 0.00 0.00 61.98 61.75 2bjr s VAL 211 Cb -0.20 -4.01 -0.07 0.00 0.00 0.00 0.00 36.38 32.10 2bjr s VAL 211 CO 0.50 -0.41 0.88 -0.60 0.00 0.00 0.00 175.10 175.47 2bjr s ARG 212 N 1.88 4.68 -0.16 2.72 3.52 -1.26 -1.80 118.95 128.53 2bjr s ARG 212 Ca 0.08 1.33 -0.40 0.00 -0.13 0.00 0.00 55.73 56.61 2bjr s ARG 212 Cb -0.19 -3.32 -0.17 0.00 -1.56 0.00 0.00 34.95 29.71 2bjr s ARG 212 CO 0.11 0.40 1.55 0.00 -0.81 0.00 0.00 175.30 176.55 2bjr n ALA 213 N 2.12 -0.80 -0.93 6.12 0.00 0.36 -1.32 120.51 126.06 2bjr n ALA 213 Ca -0.02 0.45 -0.04 0.00 0.00 0.00 0.00 53.44 53.83 2bjr n ALA 213 Cb 0.49 -2.11 -0.02 0.00 0.00 0.00 0.00 19.45 17.80 2bjr n ALA 213 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2bjr n LEU 214 N 4.05 0.18 -1.79 0.00 4.77 -1.26 -2.40 117.00 120.55 2bjr n LEU 214 Ca 0.24 0.11 -0.19 0.00 -0.03 0.00 0.00 56.01 56.13 2bjr n LEU 214 Cb 0.13 -2.02 -0.06 0.00 -2.33 0.00 0.00 43.42 39.13 2bjr n LEU 214 CO 0.74 -0.74 -0.20 0.61 -1.33 0.00 0.00 177.39 176.47 2bjr n GLY 215 N 0.42 1.21 3.83 -0.72 0.00 -0.43 -4.95 105.19 104.56 2bjr n GLY 215 Ca -0.04 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.91 2bjr n GLY 215 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2bjr s ARG 216 N -4.03 1.66 0.36 1.61 1.70 -1.01 -5.04 118.95 114.20 2bjr s ARG 216 Ca 0.00 -0.92 -0.28 0.00 -0.47 0.00 0.00 55.73 54.06 2bjr s ARG 216 Cb 0.00 0.56 -0.10 0.00 -0.57 0.00 0.00 34.95 34.84 2bjr s ARG 216 CO 0.00 -0.76 1.40 -1.12 -1.08 0.00 0.00 175.30 173.74 2bjr s SER 217 N -2.93 6.49 0.38 -2.89 0.01 -1.26 -4.68 113.70 108.81 2bjr s SER 217 Ca 0.11 2.88 -0.08 0.00 1.31 0.00 0.00 55.95 60.17 2bjr s SER 217 Cb -0.05 -2.66 -0.06 0.00 0.21 0.00 0.00 66.02 63.47 2bjr s SER 217 CO 0.06 -0.75 0.70 -0.76 0.41 0.00 0.00 173.24 172.90 2bjr s LEU 218 N -2.03 3.88 -0.94 2.44 1.43 0.98 -5.00 118.68 119.44 2bjr s LEU 218 Ca 0.52 0.96 -0.15 0.00 -1.03 0.00 0.00 54.13 54.43 2bjr s LEU 218 Cb -0.43 -3.83 0.20 0.00 0.03 0.00 0.00 46.19 42.15 2bjr s LEU 218 CO 0.58 -0.36 0.99 -0.62 0.23 0.00 0.00 176.35 177.18 2bjr s ASP 219 N -3.30 6.84 0.37 2.29 2.15 -1.26 -4.70 116.67 119.07 2bjr s ASP 219 Ca 0.48 -2.67 0.04 0.00 0.43 0.00 0.00 52.55 50.84 2bjr s ASP 219 Cb -0.10 -2.29 0.04 0.00 -0.30 0.00 0.00 42.92 40.27 2bjr s ASP 219 CO 0.33 -0.69 0.35 1.07 -0.17 0.00 0.00 175.17 176.05 2bjr n THR 220 N 4.30 0.00 -2.00 1.71 5.66 -1.25 -0.95 114.28 121.75 2bjr n THR 220 Ca 0.21 -1.41 -0.32 0.00 -3.05 0.00 0.00 64.05 59.48 2bjr n THR 220 Cb 0.46 -0.33 0.01 0.00 -1.55 0.00 0.00 70.33 68.92 2bjr n THR 220 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 175.07 171.26 2bjr s LEU 221 N 0.00 3.41 0.06 1.09 1.43 -1.26 -4.80 118.68 118.63 2bjr s LEU 221 Ca 0.27 1.67 -0.35 0.00 -1.03 0.00 0.00 54.13 54.69 2bjr s LEU 221 Cb -0.02 -4.51 -0.14 0.00 0.03 0.00 0.00 46.19 41.55 2bjr s LEU 221 CO 0.17 -1.06 1.63 -2.65 0.23 0.00 0.00 176.35 174.67 2bjr n PRO 222 N -2.26 1.97 0.00 1.29 -0.02 -1.26 -2.37 135.00 132.35 2bjr n PRO 222 Ca 0.08 0.71 0.00 0.00 -2.02 0.00 0.00 63.50 62.27 2bjr n PRO 222 Cb 0.53 -2.48 0.00 0.00 -0.02 0.00 0.00 33.50 31.53 2bjr n PRO 222 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2bjr n GLY 223 N 3.58 0.42 3.43 -1.23 0.00 -1.26 -5.04 105.19 105.10 2bjr n GLY 223 Ca 0.19 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.89 2bjr n GLY 223 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2bjr s GLU 224 N -0.88 2.63 0.22 1.61 0.41 -1.00 -5.10 118.70 116.58 2bjr s GLU 224 Ca 0.00 -0.73 -0.30 0.00 -0.41 0.00 0.00 54.97 53.53 2bjr s GLU 224 Cb 0.00 -2.38 -0.09 0.00 -1.78 0.00 0.00 34.13 29.88 2bjr s GLU 224 CO 0.00 0.53 1.37 1.21 -0.49 0.00 0.00 175.26 177.88 2bjr s ASN 225 N -0.50 6.80 0.57 -0.19 3.84 -1.26 -4.79 114.94 119.40 2bjr s ASN 225 Ca 0.06 2.51 0.29 0.00 0.21 0.00 0.00 52.86 55.93 2bjr s ASN 225 Cb -0.12 -2.61 1.72 0.00 -0.55 0.00 0.00 41.25 39.68 2bjr s ASN 225 CO 0.01 -0.60 2.20 -0.65 -2.79 0.00 0.00 177.10 175.27 2bjr h PRO 226 N 5.31 0.00 -4.28 0.43 0.11 -1.96 -3.39 132.00 128.22 2bjr h PRO 226 Ca -0.45 0.00 -0.73 0.00 0.11 0.00 0.00 66.00 64.93 2bjr h PRO 226 Cb 1.22 0.00 -0.27 0.00 0.11 0.00 0.00 31.00 32.06 2bjr h PRO 226 CO 0.78 0.04 -0.36 -0.51 -0.21 0.00 0.00 178.00 177.74 2bjr s ASP 227 N -6.13 5.88 -0.04 -2.05 1.01 -1.26 -0.01 116.67 114.06 2bjr s ASP 227 Ca -0.04 -1.71 0.06 0.00 0.71 0.00 0.00 52.55 51.58 2bjr s ASP 227 Cb 0.14 -2.08 -0.01 0.00 1.01 0.00 0.00 42.92 41.98 2bjr s ASP 227 CO 0.56 -0.69 -0.23 -1.10 0.21 0.00 0.00 175.17 173.91 2bjr s GLN 228 N 1.48 2.13 0.11 8.23 -0.21 -1.26 -4.52 119.66 125.61 2bjr s GLN 228 Ca 0.04 -0.84 0.08 0.00 0.02 0.00 0.00 55.36 54.67 2bjr s GLN 228 Cb -0.26 -1.93 -0.04 0.00 1.00 0.00 0.00 33.01 31.79 2bjr s GLN 228 CO 0.02 0.43 -0.21 0.71 -2.12 0.00 0.00 175.29 174.12 2bjr s TYR 229 N -0.34 1.82 0.02 0.91 1.51 0.07 -0.48 117.35 120.87 2bjr s TYR 229 Ca 0.03 -0.42 -0.30 0.00 -1.01 0.00 0.00 57.07 55.37 2bjr s TYR 229 Cb -0.11 -0.99 -0.06 0.00 -0.11 0.00 0.00 41.96 40.68 2bjr s TYR 229 CO 0.01 0.22 1.40 0.08 -1.11 0.00 0.00 175.55 176.15 2bjr s VAL 230 N -1.19 3.64 0.06 0.71 1.01 -0.75 -1.17 120.40 122.71 2bjr s VAL 230 Ca 0.07 1.06 -0.00 0.00 0.00 0.00 0.00 61.98 63.11 2bjr s VAL 230 Cb -0.10 -3.68 -0.04 0.00 0.00 0.00 0.00 36.38 32.56 2bjr s VAL 230 CO 0.04 0.01 -0.04 0.00 0.00 0.00 0.00 175.10 175.12 2bjr s ALA 231 N 2.17 0.62 -0.06 5.51 0.00 -0.81 -2.64 121.76 126.55 2bjr s ALA 231 Ca 0.64 -1.23 0.06 0.00 0.00 0.00 0.00 51.96 51.43 2bjr s ALA 231 Cb -0.32 0.24 -0.01 0.00 0.00 0.00 0.00 23.12 23.03 2bjr s ALA 231 CO 0.27 -0.33 -0.24 -1.17 0.00 0.00 0.00 175.76 174.29 2bjr s LEU 232 N -2.92 2.05 0.34 0.00 2.96 0.66 -0.24 118.68 121.53 2bjr s LEU 232 Ca 0.08 -0.50 0.03 0.00 -0.22 0.00 0.00 54.13 53.52 2bjr s LEU 232 Cb 0.07 -1.34 -0.04 0.00 0.50 0.00 0.00 46.19 45.38 2bjr s LEU 232 CO -0.09 0.24 0.12 0.86 -1.32 0.00 0.00 176.35 176.16 2bjr s TRP 233 N -0.14 1.74 -0.00 5.38 -0.00 -0.21 -1.25 118.94 124.46 2bjr s TRP 233 Ca -0.04 -1.22 0.03 0.00 -0.00 0.00 0.00 56.10 54.87 2bjr s TRP 233 Cb -0.14 -1.06 -0.01 0.00 -0.00 0.00 0.00 33.47 32.26 2bjr s TRP 233 CO 0.04 -0.30 -0.09 0.71 -0.00 0.00 0.00 176.95 177.30 2bjr s TYR 234 N -3.42 0.81 -0.04 5.86 1.51 -1.26 -0.54 117.35 120.27 2bjr s TYR 234 Ca 0.32 -0.18 -0.01 0.00 -1.01 0.00 0.00 57.07 56.19 2bjr s TYR 234 Cb 0.05 -0.52 0.03 0.00 -0.11 0.00 0.00 41.96 41.42 2bjr s TYR 234 CO 0.16 -0.01 0.06 -0.65 -1.11 0.00 0.00 175.55 174.00 2bjr s GLN 235 N -0.33 -0.03 -1.58 -0.62 -1.52 -0.67 -0.06 119.66 114.84 2bjr s GLN 235 Ca 0.03 0.30 -0.14 0.00 -1.95 0.00 0.00 55.36 53.60 2bjr s GLN 235 Cb -0.04 -0.33 0.10 0.00 -0.22 0.00 0.00 33.01 32.52 2bjr s GLN 235 CO -0.00 -0.24 0.82 0.43 -0.25 0.00 0.00 175.29 176.06 2bjr n SER 236 N 4.67 -3.49 0.00 5.90 7.64 -1.26 -1.12 113.62 125.96 2bjr n SER 236 Ca -0.17 -0.91 0.00 0.00 1.01 0.00 0.00 58.87 58.80 2bjr n SER 236 Cb 0.50 -3.32 0.00 0.00 -1.01 0.00 0.00 64.21 60.38 2bjr n SER 236 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2bjr n GLY 237 N -1.59 0.34 3.86 0.23 0.00 -1.26 -5.02 105.19 101.76 2bjr n GLY 237 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 2bjr n GLY 237 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2bjr s GLU 238 N -0.80 3.65 0.26 1.61 2.02 -0.28 -5.07 118.70 120.09 2bjr s GLU 238 Ca 0.00 0.09 -0.30 0.00 0.02 0.00 0.00 54.97 54.78 2bjr s GLU 238 Cb 0.00 -3.18 -0.09 0.00 0.10 0.00 0.00 34.13 30.96 2bjr s GLU 238 CO 0.00 0.72 1.07 -1.25 0.02 0.00 0.00 175.26 175.82 2bjr s PRO 239 N -1.18 4.68 0.13 0.39 0.04 -1.26 -1.68 135.00 136.12 2bjr s PRO 239 Ca 0.21 1.72 0.01 0.00 0.04 0.00 0.00 61.00 62.98 2bjr s PRO 239 Cb -0.14 -3.22 -0.00 0.00 0.04 0.00 0.00 34.50 31.17 2bjr s PRO 239 CO 0.10 0.26 0.04 0.28 0.04 0.00 0.00 177.00 177.72 2bjr n VAL 240 N 1.44 0.00 -3.06 -0.36 0.31 0.29 -4.91 118.33 112.04 2bjr n VAL 240 Ca -0.01 -0.73 0.00 0.00 -0.01 0.00 0.00 64.34 63.59 2bjr n VAL 240 Cb 0.45 0.26 0.00 0.00 -0.91 0.00 0.00 33.84 33.65 2bjr n VAL 240 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2bjr n GLY 242 N 1.38 -0.26 3.20 2.92 0.00 0.67 -1.05 105.19 112.05 2bjr n GLY 242 Ca -0.02 -1.31 -0.25 0.00 0.00 0.00 0.00 46.02 44.44 2bjr n GLY 242 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2bjr s ARG 243 N -2.00 1.40 0.27 1.61 1.70 -1.07 -1.93 118.95 118.93 2bjr s ARG 243 Ca 0.00 -0.76 0.11 0.00 -0.47 0.00 0.00 55.73 54.61 2bjr s ARG 243 Cb 0.00 -1.41 -0.05 0.00 -0.57 0.00 0.00 34.95 32.92 2bjr s ARG 243 CO 0.00 0.38 -0.19 0.96 -1.08 0.00 0.00 175.30 175.37 2bjr s ILE 244 N -0.59 2.33 0.16 4.99 -4.36 -0.31 -0.96 121.20 122.46 2bjr s ILE 244 Ca 0.07 -2.37 -0.15 0.00 -0.26 0.00 0.00 60.65 57.94 2bjr s ILE 244 Cb -0.08 -2.26 0.02 0.00 1.25 0.00 0.00 42.46 41.39 2bjr s ILE 244 CO 0.00 -0.43 0.42 -1.66 0.24 0.00 0.00 174.94 173.51 2bjr s TRP 245 N -2.60 -0.01 -0.54 1.37 -2.14 -0.11 -0.75 118.94 114.16 2bjr s TRP 245 Ca 0.29 -0.34 -0.20 0.00 2.66 0.00 0.00 56.10 58.50 2bjr s TRP 245 Cb -0.04 0.23 0.06 0.00 -3.10 0.00 0.00 33.47 30.62 2bjr s TRP 245 CO 0.13 -0.79 0.73 1.21 -2.66 0.00 0.00 176.95 175.57 2bjr s ASN 246 N -2.88 6.23 -0.58 -2.66 3.84 -1.26 -1.16 114.94 116.48 2bjr s ASN 246 Ca 0.09 -0.90 -0.10 0.00 0.21 0.00 0.00 52.86 52.16 2bjr s ASN 246 Cb 0.01 -2.33 0.15 0.00 -0.55 0.00 0.00 41.25 38.53 2bjr s ASN 246 CO -0.05 -1.04 0.46 -0.62 -2.79 0.00 0.00 177.10 173.06 2bjr s ASP 247 N 2.97 5.87 -1.41 -4.21 2.15 -0.15 -4.66 116.67 117.23 2bjr s ASP 247 Ca 0.18 -2.23 0.00 0.00 0.43 0.00 0.00 52.55 50.93 2bjr s ASP 247 Cb -0.19 -2.04 0.00 0.00 -0.30 0.00 0.00 42.92 40.40 2bjr s ASP 247 CO 0.12 -0.63 0.00 0.61 -0.17 0.00 0.00 175.17 175.11 2bjr n GLY 248 N 4.49 -0.23 1.34 2.66 0.00 -1.26 -2.11 105.19 110.08 2bjr n GLY 248 Ca -0.01 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 45.81 2bjr n GLY 248 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2bjr n GLY 249 N -1.01 0.81 3.48 -0.02 0.00 -1.26 -5.06 105.19 102.13 2bjr n GLY 249 Ca -0.19 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.53 2bjr n GLY 249 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2bjr s LYS 250 N -0.55 1.80 -0.06 1.61 1.02 -0.90 -0.47 119.74 122.19 2bjr s LYS 250 Ca 0.00 -1.16 -0.30 0.00 0.02 0.00 0.00 55.97 54.53 2bjr s LYS 250 Cb 0.00 -2.12 -0.05 0.00 -0.52 0.00 0.00 37.83 35.15 2bjr s LYS 250 CO 0.00 0.49 1.51 0.42 -0.92 0.00 0.00 175.35 176.85 2bjr s ILE 251 N -1.12 3.73 0.07 2.17 1.01 0.27 -0.97 121.20 126.36 2bjr s ILE 251 Ca 0.17 0.96 0.08 0.00 0.00 0.00 0.00 60.65 61.87 2bjr s ILE 251 Cb -0.11 -3.62 -0.03 0.00 0.01 0.00 0.00 42.46 38.71 2bjr s ILE 251 CO 0.10 -0.06 -0.19 0.00 0.00 0.00 0.00 174.94 174.78 2bjr s ALA 252 N 3.46 2.59 0.06 9.38 0.00 -0.31 -1.04 121.76 135.90 2bjr s ALA 252 Ca 0.67 -1.26 0.02 0.00 0.00 0.00 0.00 51.96 51.39 2bjr s ALA 252 Cb -0.31 -0.67 -0.03 0.00 0.00 0.00 0.00 23.12 22.11 2bjr s ALA 252 CO 0.26 0.57 -0.07 0.00 0.00 0.00 0.00 175.76 176.52 2bjr s ALA 253 N -0.99 0.70 -0.04 0.00 0.00 -1.26 -0.94 121.76 119.22 2bjr s ALA 253 Ca 0.15 -0.98 -0.01 0.00 0.00 0.00 0.00 51.96 51.12 2bjr s ALA 253 Cb -0.10 0.09 0.03 0.00 0.00 0.00 0.00 23.12 23.14 2bjr s ALA 253 CO 0.07 -0.11 0.08 0.00 0.00 0.00 0.00 175.76 175.80 2bjr s PHE 255 N 1.37 1.67 -0.13 0.00 0.40 -0.47 -2.58 117.98 118.23 2bjr s PHE 255 Ca -0.06 -0.40 0.02 0.00 -0.60 0.00 0.00 56.93 55.88 2bjr s PHE 255 Cb -0.12 -0.95 -0.00 0.00 0.51 0.00 0.00 43.02 42.46 2bjr s PHE 255 CO -0.04 0.14 -0.18 0.20 0.70 0.00 0.00 175.22 176.04 2bjr s GLY 256 N -1.59 1.44 0.02 4.36 0.00 -1.26 -0.89 107.32 109.38 2bjr s GLY 256 Ca 0.05 -0.98 -0.28 0.00 0.00 0.00 0.00 44.72 43.51 2bjr s GLY 256 CO 0.03 -0.15 0.67 0.86 0.00 0.00 0.00 173.10 174.51 2bjr s TRP 257 N 0.54 -0.60 -1.63 1.90 -0.00 -0.99 -4.72 118.94 113.45 2bjr s TRP 257 Ca -0.11 0.83 0.00 0.00 -0.00 0.00 0.00 56.10 56.81 2bjr s TRP 257 Cb -0.16 0.46 0.00 0.00 -0.00 0.00 0.00 33.47 33.77 2bjr s TRP 257 CO 0.04 -0.68 0.00 0.41 -0.00 0.00 0.00 176.95 176.72 2bjr n GLY 258 N 0.45 0.02 2.36 5.86 0.00 -1.26 -0.69 105.19 111.93 2bjr n GLY 258 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.84 2bjr n GLY 258 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2bjr n GLY 259 N -0.80 0.43 3.54 -0.02 0.00 -1.26 -5.04 105.19 102.04 2bjr n GLY 259 Ca -0.21 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.57 2bjr n GLY 259 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2bjr s HIS 260 N -1.95 2.44 -0.11 1.61 3.76 0.13 -2.86 115.29 118.31 2bjr s HIS 260 Ca 0.00 -0.34 -0.04 0.00 -0.15 0.00 0.00 55.06 54.54 2bjr s HIS 260 Cb 0.00 -1.15 -0.03 0.00 1.11 0.00 0.00 32.58 32.50 2bjr s HIS 260 CO 0.00 0.65 0.03 -2.00 -0.85 0.00 0.00 174.74 172.56 2bjr s GLU 261 N -3.59 3.26 -0.23 1.40 2.12 -1.26 -2.33 118.70 118.06 2bjr s GLU 261 Ca 0.31 -0.37 0.02 0.00 0.36 0.00 0.00 54.97 55.29 2bjr s GLU 261 Cb -0.04 -2.92 0.05 0.00 0.26 0.00 0.00 34.13 31.48 2bjr s GLU 261 CO 0.17 0.61 -0.11 0.71 -0.54 0.00 0.00 175.26 176.10 2bjr s TYR 262 N -0.60 2.86 0.00 5.30 1.51 -0.07 -4.90 117.35 121.45 2bjr s TYR 262 Ca 0.10 -1.98 0.00 0.00 -1.01 0.00 0.00 57.07 54.18 2bjr s TYR 262 Cb -0.12 -1.80 0.00 0.00 -0.11 0.00 0.00 41.96 39.93 2bjr s TYR 262 CO 0.02 -0.82 0.00 0.54 -1.11 0.00 0.00 175.55 174.18 2bjr n ARG 263 N 4.55 5.91 -4.16 -0.62 1.74 -1.26 -1.36 116.66 121.46 2bjr n ARG 263 Ca -0.15 0.00 -0.10 0.00 -0.77 0.00 0.00 57.85 56.83 2bjr n ARG 263 Cb 0.44 -0.54 -0.10 0.00 -1.02 0.00 0.00 32.46 31.25 2bjr n ARG 263 CO 0.00 0.00 0.00 1.14 -1.52 0.00 0.00 177.63 177.25 2bjr s GLN 264 N -1.07 0.84 -1.51 5.56 -2.07 -1.26 -4.73 119.66 115.43 2bjr s GLN 264 Ca 0.00 -1.36 -0.11 0.00 -1.82 0.00 0.00 55.36 52.06 2bjr s GLN 264 Cb 0.00 0.00 0.08 0.00 -1.09 0.00 0.00 33.01 32.00 2bjr s GLN 264 CO 0.00 -0.12 0.89 1.63 -1.32 0.00 0.00 175.29 176.37 2bjr n LYS 265 N -0.05 -5.05 0.12 9.60 5.02 -1.26 -4.88 118.16 121.65 2bjr n LYS 265 Ca -0.10 0.57 -0.20 0.00 -2.02 0.00 0.00 58.31 56.56 2bjr n LYS 265 Cb 0.62 -5.34 -0.15 0.00 -0.02 0.00 0.00 35.03 30.14 2bjr n LYS 265 CO 0.00 0.00 0.00 0.82 -0.52 0.00 0.00 177.40 177.70 2bjr h ILE 266 N -1.98 1.36 0.00 -0.18 1.08 -1.90 -3.48 117.51 112.40 2bjr h ILE 266 Ca -0.59 -2.88 0.00 0.00 -0.39 0.00 0.00 64.86 61.00 2bjr h ILE 266 Cb 1.37 2.96 0.00 0.00 -3.07 0.00 0.00 36.82 38.08 2bjr h ILE 266 CO 0.67 0.85 0.00 0.61 -0.69 0.00 0.00 178.15 179.59 2bjr n GLY 267 N 1.63 1.88 3.74 5.37 0.00 -1.26 -3.89 105.19 112.66 2bjr n GLY 267 Ca -0.13 -0.54 -0.41 0.00 0.00 0.00 0.00 46.02 44.94 2bjr n GLY 267 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2bjr s SER 268 N -4.00 7.27 0.24 1.61 0.01 0.40 -1.15 113.70 118.07 2bjr s SER 268 Ca 0.00 2.12 0.01 0.00 1.31 0.00 0.00 55.95 59.39 2bjr s SER 268 Cb 0.00 -2.61 -0.04 0.00 0.21 0.00 0.00 66.02 63.58 2bjr s SER 268 CO 0.00 -0.20 0.12 0.27 0.41 0.00 0.00 173.24 173.84 2bjr s ILE 269 N -0.40 0.29 -0.10 1.44 -4.36 -0.28 -4.23 121.20 113.56 2bjr s ILE 269 Ca 0.48 -2.00 0.04 0.00 -0.26 0.00 0.00 60.65 58.91 2bjr s ILE 269 Cb -0.30 -2.56 0.00 0.00 1.25 0.00 0.00 42.46 40.85 2bjr s ILE 269 CO 0.36 0.00 -0.22 -1.10 0.24 0.00 0.00 174.94 174.22 2bjr s GLN 270 N -4.04 2.85 -0.18 0.37 -0.21 -0.38 -2.29 119.66 115.79 2bjr s GLN 270 Ca 0.38 -0.81 -0.06 0.00 0.02 0.00 0.00 55.36 54.90 2bjr s GLN 270 Cb 0.07 -2.18 -0.03 0.00 1.00 0.00 0.00 33.01 31.87 2bjr s GLN 270 CO 0.14 0.14 0.02 0.42 -2.12 0.00 0.00 175.29 173.89 2bjr s ILE 271 N 0.43 4.33 0.09 1.08 1.01 0.22 -0.25 121.20 128.12 2bjr s ILE 271 Ca -0.17 -0.20 -0.30 0.00 0.00 0.00 0.00 60.65 59.98 2bjr s ILE 271 Cb -0.17 -2.94 -0.06 0.00 0.01 0.00 0.00 42.46 39.30 2bjr s ILE 271 CO 0.07 0.46 1.20 -0.22 0.00 0.00 0.00 174.94 176.46 2bjr s LEU 272 N 0.48 4.39 -0.05 2.97 2.96 -1.08 -0.21 118.68 128.14 2bjr s LEU 272 Ca 0.00 2.07 0.05 0.00 -0.22 0.00 0.00 54.13 56.03 2bjr s LEU 272 Cb -0.13 -3.59 -0.02 0.00 0.50 0.00 0.00 46.19 42.95 2bjr s LEU 272 CO 0.02 -0.44 -0.21 -0.31 -1.32 0.00 0.00 176.35 174.08 2bjr s TYR 273 N 0.80 2.51 -0.19 5.38 1.51 -0.30 -2.74 117.35 124.31 2bjr s TYR 273 Ca 0.57 -0.49 -0.28 0.00 -1.01 0.00 0.00 57.07 55.86 2bjr s TYR 273 Cb -0.30 -1.60 0.00 0.00 -0.11 0.00 0.00 41.96 39.95 2bjr s TYR 273 CO 0.31 -0.06 0.98 -2.00 -1.11 0.00 0.00 175.55 173.67 2bjr s GLU 274 N -0.39 4.29 0.55 -0.62 2.12 0.19 -4.26 118.70 120.58 2bjr s GLU 274 Ca 0.04 1.28 -0.17 0.00 0.36 0.00 0.00 54.97 56.48 2bjr s GLU 274 Cb -0.12 -3.61 -0.06 0.00 0.26 0.00 0.00 34.13 30.60 2bjr s GLU 274 CO 0.02 -0.51 1.02 -0.51 -0.54 0.00 0.00 175.26 174.74 2bjr s LEU 275 N 2.75 3.59 0.28 2.70 1.43 -1.26 -4.77 118.68 123.41 2bjr s LEU 275 Ca 0.43 1.72 -0.29 0.00 -1.03 0.00 0.00 54.13 54.95 2bjr s LEU 275 Cb -0.16 -4.53 -0.13 0.00 0.03 0.00 0.00 46.19 41.40 2bjr s LEU 275 CO 0.10 -0.86 1.25 -2.65 0.23 0.00 0.00 176.35 174.42 2bjr n PRO 276 N -1.71 1.84 0.12 1.29 -0.02 -1.26 -4.87 135.00 130.38 2bjr n PRO 276 Ca 0.08 0.65 0.05 0.00 -2.02 0.00 0.00 63.50 62.26 2bjr n PRO 276 Cb 0.53 -2.20 0.50 0.00 -0.02 0.00 0.00 33.50 32.32 2bjr n PRO 276 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 2bjr h GLU 277 N 3.03 0.29 -0.26 -0.52 4.81 -1.94 -2.27 114.58 117.72 2bjr h GLU 277 Ca -0.44 -0.02 0.05 0.00 -0.13 0.00 0.00 59.36 58.82 2bjr h GLU 277 Cb 1.30 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 30.60 2bjr h GLU 277 CO 0.67 0.22 0.18 0.00 -0.73 0.00 0.00 179.01 179.35 2bjr h ALA 278 N 1.83 2.08 -0.00 2.92 0.00 -2.02 -3.21 119.26 120.86 2bjr h ALA 278 Ca 0.08 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.98 2bjr h ALA 278 Cb 0.02 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.78 2bjr h ALA 278 CO -0.01 -0.14 -0.34 0.44 0.00 0.00 0.00 179.25 179.20 2bjr n ILE 279 N -4.48 0.00 -3.71 0.00 -5.35 -0.87 -4.98 119.36 99.97 2bjr n ILE 279 Ca 0.03 -0.33 -0.30 0.00 -0.27 0.00 0.00 62.75 61.87 2bjr n ILE 279 Cb 0.25 1.06 -0.04 0.00 -1.74 0.00 0.00 39.64 39.17 2bjr n ILE 279 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2bjr s ARG 280 N -1.65 3.57 0.00 6.28 1.70 -1.13 -0.33 118.95 127.38 2bjr s ARG 280 Ca 0.06 -0.20 0.19 0.00 -0.47 0.00 0.00 55.73 55.31 2bjr s ARG 280 Cb 0.08 -2.87 0.49 0.00 -0.57 0.00 0.00 34.95 32.08 2bjr s ARG 280 CO 0.33 0.46 1.41 0.41 -1.08 0.00 0.00 175.30 176.83 2bjr n GLY 281 N -0.10 2.36 3.48 3.88 0.00 0.17 -4.63 105.19 110.35 2bjr n GLY 281 Ca -0.03 -0.64 -0.10 0.00 0.00 0.00 0.00 46.02 45.24 2bjr n GLY 281 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2bjr s PHE 282 N -1.07 -0.13 0.03 1.61 -0.12 -1.26 -1.05 117.98 115.99 2bjr s PHE 282 Ca 0.38 -0.20 0.07 0.00 -0.05 0.00 0.00 56.93 57.14 2bjr s PHE 282 Cb 0.20 0.36 -0.02 0.00 -0.63 0.00 0.00 43.02 42.93 2bjr s PHE 282 CO 0.27 -0.87 -0.21 -0.51 -0.05 0.00 0.00 175.22 173.85 2bjr s ASP 283 N -2.86 2.52 0.22 1.98 1.01 -0.74 -4.89 116.67 113.90 2bjr s ASP 283 Ca 0.08 -0.50 -0.15 0.00 0.71 0.00 0.00 52.55 52.69 2bjr s ASP 283 Cb -0.00 -0.22 -0.08 0.00 1.01 0.00 0.00 42.92 43.63 2bjr s ASP 283 CO -0.05 0.18 0.63 -0.31 0.21 0.00 0.00 175.17 175.83 2bjr s TYR 284 N -0.75 3.53 0.07 4.23 4.12 -1.26 -1.36 117.35 125.93 2bjr s TYR 284 Ca 0.08 1.13 -0.20 0.00 0.02 0.00 0.00 57.07 58.10 2bjr s TYR 284 Cb -0.09 -2.44 0.05 0.00 -1.52 0.00 0.00 41.96 37.96 2bjr s TYR 284 CO 0.01 0.31 0.48 0.34 0.02 0.00 0.00 175.55 176.71 2bjr s ASP 285 N -1.95 -0.37 -0.28 2.29 2.15 -0.40 -4.98 116.67 113.13 2bjr s ASP 285 Ca 0.44 0.02 -0.11 0.00 0.43 0.00 0.00 52.55 53.33 2bjr s ASP 285 Cb -0.14 0.48 -0.05 0.00 -0.30 0.00 0.00 42.92 42.92 2bjr s ASP 285 CO 0.20 -0.76 0.21 0.26 -0.17 0.00 0.00 175.17 174.90 2bjr s TRP 286 N -2.85 3.23 0.11 -5.34 0.52 -1.26 -0.68 118.94 112.67 2bjr s TRP 286 Ca -0.03 0.16 0.09 0.00 0.02 0.00 0.00 56.10 56.34 2bjr s TRP 286 Cb -0.00 -2.39 -0.04 0.00 -1.15 0.00 0.00 33.47 29.89 2bjr s TRP 286 CO -0.05 -0.15 -0.24 0.15 0.02 0.00 0.00 176.95 176.68 2bjr s LYS 287 N 1.73 1.31 0.41 4.98 -0.14 -0.30 -4.83 119.74 122.89 2bjr s LYS 287 Ca 0.08 -1.22 -0.25 0.00 -1.36 0.00 0.00 55.97 53.21 2bjr s LYS 287 Cb -0.16 -1.66 -0.11 0.00 -1.68 0.00 0.00 37.83 34.23 2bjr s LYS 287 CO 0.10 0.40 1.09 -2.30 -0.76 0.00 0.00 175.35 173.88 2bjr n PRO 288 N 1.11 1.53 -0.30 -1.68 -0.02 -1.26 -0.93 135.00 133.45 2bjr n PRO 288 Ca -0.18 0.55 0.09 0.00 -2.02 0.00 0.00 63.50 61.93 2bjr n PRO 288 Cb 0.53 -2.13 0.25 0.00 -0.02 0.00 0.00 33.50 32.12 2bjr n PRO 288 CO 0.00 0.00 0.00 0.35 1.98 0.00 0.00 175.50 177.83 2bjr h PHE 289 N 1.74 0.72 -0.50 6.00 3.57 -1.48 -1.33 116.94 125.67 2bjr h PHE 289 Ca -0.45 0.04 -0.03 0.00 3.53 0.00 0.00 57.97 61.06 2bjr h PHE 289 Cb 1.32 -0.19 -0.02 0.00 2.79 0.00 0.00 35.95 39.85 2bjr h PHE 289 CO 0.45 0.11 0.20 -1.35 -2.23 0.00 0.00 178.31 175.49 2bjr h PRO 290 N 0.55 0.74 -0.51 6.41 0.11 -1.88 0.84 132.00 138.26 2bjr h PRO 290 Ca 0.49 -0.13 -0.07 0.00 0.11 0.00 0.00 66.00 66.39 2bjr h PRO 290 Cb 0.77 -0.12 -0.02 0.00 0.11 0.00 0.00 31.00 31.73 2bjr h PRO 290 CO -0.41 0.66 0.02 1.49 -0.21 0.00 0.00 178.00 179.55 2bjr h GLU 291 N 0.66 0.84 0.00 1.05 4.81 -1.80 -2.84 114.58 117.30 2bjr h GLU 291 Ca 0.17 -0.22 -0.07 0.00 -0.13 0.00 0.00 59.36 59.10 2bjr h GLU 291 Cb 0.19 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.46 2bjr h GLU 291 CO -0.01 0.82 -0.35 0.00 -0.73 0.00 0.00 179.01 178.74 2bjr h ALA 292 N 1.24 1.35 -0.00 2.92 0.00 -0.86 -3.15 119.26 120.75 2bjr h ALA 292 Ca 0.15 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.75 2bjr h ALA 292 Cb 0.44 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.17 2bjr h ALA 292 CO 0.02 0.43 -0.04 0.00 0.00 0.00 0.00 179.25 179.66 2bjr n ALA 293 N -2.44 2.48 -1.00 0.00 0.00 0.26 -4.59 120.51 115.22 2bjr n ALA 293 Ca -0.02 -0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.28 2bjr n ALA 293 Cb 0.40 -1.44 0.00 0.00 0.00 0.00 0.00 19.45 18.40 2bjr n ALA 293 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2bjr n GLN 294 N -1.41 0.00 0.00 0.00 6.02 -1.19 -5.06 117.38 115.74 2bjr n GLN 294 Ca 0.09 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.08 2bjr n GLN 294 Cb 0.31 -0.07 0.00 0.00 1.02 0.00 0.00 30.24 31.50 2bjr n GLN 294 CO 0.00 0.00 0.00 -0.85 -1.01 0.00 0.00 177.06 175.20 2bjr n GLU 299 N 0.00 0.00 -3.37 -1.09 0.28 -1.26 -5.17 120.64 110.03 2bjr n GLU 299 Ca 0.00 0.00 -0.44 0.00 -0.16 0.00 0.00 57.16 56.56 2bjr n GLU 299 Cb 0.00 0.00 -0.08 0.00 1.43 0.00 0.00 31.44 32.79 2bjr n GLU 299 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 177.13 175.39 2bjr s TRP 300 N 0.00 3.21 -0.21 -1.84 0.52 -1.26 -4.17 118.94 115.19 2bjr s TRP 300 Ca 0.00 -0.75 -0.08 0.00 0.02 0.00 0.00 56.10 55.28 2bjr s TRP 300 Cb 0.00 -3.06 -0.04 0.00 -1.15 0.00 0.00 33.47 29.22 2bjr s TRP 300 CO 0.00 -0.77 0.09 0.42 0.02 0.00 0.00 176.95 176.71 2bjr s ILE 301 N 1.82 4.85 0.25 2.03 1.01 0.26 -4.82 121.20 126.60 2bjr s ILE 301 Ca 0.06 -0.00 -0.30 0.00 0.00 0.00 0.00 60.65 60.41 2bjr s ILE 301 Cb -0.22 -3.22 -0.14 0.00 0.01 0.00 0.00 42.46 38.89 2bjr s ILE 301 CO 0.09 0.41 1.18 -2.65 0.00 0.00 0.00 174.94 173.96 2bjr n PRO 302 N 4.01 1.55 -1.88 2.79 -0.02 -1.26 -0.43 135.00 139.75 2bjr n PRO 302 Ca -0.16 0.55 -0.42 0.00 -2.02 0.00 0.00 63.50 61.45 2bjr n PRO 302 Cb 0.52 -2.04 -0.02 0.00 -0.02 0.00 0.00 33.50 31.93 2bjr n PRO 302 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2bjr s VAL 303 N -0.58 2.37 -0.08 -1.45 1.01 0.26 -4.80 120.40 117.14 2bjr s VAL 303 Ca 0.65 0.30 -0.11 0.00 0.00 0.00 0.00 61.98 62.81 2bjr s VAL 303 Cb -0.72 -3.19 0.03 0.00 0.00 0.00 0.00 36.38 32.50 2bjr s VAL 303 CO 0.56 0.04 0.29 -1.38 0.00 0.00 0.00 175.10 174.61 2bjr s HIS 304 N 0.30 -0.27 -0.13 5.22 -3.43 -1.26 -4.12 115.29 111.61 2bjr s HIS 304 Ca 0.64 0.60 0.01 0.00 -0.80 0.00 0.00 55.06 55.51 2bjr s HIS 304 Cb -0.45 0.10 -0.01 0.00 -1.43 0.00 0.00 32.58 30.79 2bjr s HIS 304 CO 0.42 -0.23 -0.16 0.08 -2.00 0.00 0.00 174.74 172.85 2bjr s VAL 305 N -0.35 2.78 0.10 -5.38 1.01 -0.34 -4.94 120.40 113.28 2bjr s VAL 305 Ca -0.05 -0.75 -0.12 0.00 0.00 0.00 0.00 61.98 61.07 2bjr s VAL 305 Cb -0.03 -2.15 -0.06 0.00 0.00 0.00 0.00 36.38 34.13 2bjr s VAL 305 CO 0.02 0.53 0.45 -1.81 0.00 0.00 0.00 175.10 174.29 2bjr s ASP 306 N 0.45 6.71 -0.07 3.32 1.01 -1.26 -1.44 116.67 125.38 2bjr s ASP 306 Ca -0.11 0.89 -0.24 0.00 0.71 0.00 0.00 52.55 53.80 2bjr s ASP 306 Cb -0.16 -2.22 0.05 0.00 1.01 0.00 0.00 42.92 41.60 2bjr s ASP 306 CO 0.05 0.15 0.56 -2.28 0.21 0.00 0.00 175.17 173.86 2bjr s HIS 307 N -1.41 -0.52 0.45 4.23 2.46 -1.24 -4.93 115.29 114.34 2bjr s HIS 307 Ca 0.34 0.97 0.17 0.00 0.47 0.00 0.00 55.06 57.01 2bjr s HIS 307 Cb -0.14 0.29 1.12 0.00 -0.13 0.00 0.00 32.58 33.71 2bjr s HIS 307 CO 0.18 -0.49 1.96 1.12 -2.47 0.00 0.00 174.74 175.04 2bjr h HIS 308 N 3.65 0.35 -0.00 3.88 2.07 -1.98 0.42 115.15 123.54 2bjr h HIS 308 Ca -0.28 0.01 0.00 0.00 -2.85 0.00 0.00 60.37 57.25 2bjr h HIS 308 Cb 1.16 -0.11 0.00 0.00 2.57 0.00 0.00 27.41 31.02 2bjr h HIS 308 CO 0.42 0.15 -0.00 1.63 -3.07 0.00 0.00 177.93 177.06 2bjr n LYS 309 N -4.45 0.89 0.00 5.12 5.02 -1.26 -4.95 118.16 118.52 2bjr n LYS 309 Ca 0.11 -0.04 0.00 0.00 -2.02 0.00 0.00 58.31 56.36 2bjr n LYS 309 Cb 0.47 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.99 2bjr n LYS 309 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2bjr n GLY 310 N 1.08 4.31 3.80 0.72 0.00 0.14 -5.11 105.19 110.12 2bjr n GLY 310 Ca 0.21 -1.37 -0.38 0.00 0.00 0.00 0.00 46.02 44.49 2bjr n GLY 310 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2bjr s ASN 311 N 0.00 6.85 -0.11 1.61 0.01 -1.26 -3.70 114.94 118.35 2bjr s ASN 311 Ca 0.00 1.02 -0.00 0.00 -0.71 0.00 0.00 52.86 53.16 2bjr s ASN 311 Cb 0.00 -2.30 -0.02 0.00 0.41 0.00 0.00 41.25 39.34 2bjr s ASN 311 CO 0.00 0.21 -0.10 -0.63 -1.51 0.00 0.00 177.10 175.08 2bjr s ILE 312 N -0.59 3.37 0.09 0.60 -1.09 -0.52 -4.21 121.20 118.84 2bjr s ILE 312 Ca 0.26 -0.57 0.08 0.00 -2.23 0.00 0.00 60.65 58.19 2bjr s ILE 312 Cb -0.17 -2.41 -0.03 0.00 -1.58 0.00 0.00 42.46 38.27 2bjr s ILE 312 CO 0.14 0.54 -0.20 -0.44 -1.23 0.00 0.00 174.94 173.75 2bjr s SER 313 N -0.01 2.39 0.16 3.58 0.01 -0.14 -1.20 113.70 118.49 2bjr s SER 313 Ca -0.02 -0.64 -0.31 0.00 1.31 0.00 0.00 55.95 56.30 2bjr s SER 313 Cb -0.14 -0.14 -0.08 0.00 0.21 0.00 0.00 66.02 65.87 2bjr s SER 313 CO 0.04 0.06 1.34 -2.84 0.41 0.00 0.00 173.24 172.25 2bjr s PRO 314 N -1.73 4.36 -0.11 12.44 0.02 -1.26 -0.99 135.00 147.73 2bjr s PRO 314 Ca 0.05 2.06 -0.12 0.00 0.02 0.00 0.00 61.00 63.02 2bjr s PRO 314 Cb -0.10 -3.22 0.03 0.00 0.02 0.00 0.00 34.50 31.24 2bjr s PRO 314 CO 0.03 -0.34 0.32 0.00 -0.33 0.00 0.00 177.00 176.69 2bjr s ALA 315 N 0.55 -0.80 -0.45 -1.55 0.00 -0.94 -1.78 121.76 116.78 2bjr s ALA 315 Ca 0.60 0.82 -0.21 0.00 0.00 0.00 0.00 51.96 53.17 2bjr s ALA 315 Cb -0.37 -0.44 0.03 0.00 0.00 0.00 0.00 23.12 22.34 2bjr s ALA 315 CO 0.35 -0.17 0.68 0.08 0.00 0.00 0.00 175.76 176.70 2bjr s VAL 316 N -0.06 4.77 0.58 0.00 1.01 -1.26 -0.26 120.40 125.19 2bjr s VAL 316 Ca -0.02 0.14 -0.14 0.00 0.00 0.00 0.00 61.98 61.97 2bjr s VAL 316 Cb -0.03 -4.25 -0.05 0.00 0.00 0.00 0.00 36.38 32.05 2bjr s VAL 316 CO 0.01 -0.66 1.02 -0.76 0.00 0.00 0.00 175.10 174.71 2bjr s LEU 317 N 2.95 3.40 -0.28 3.92 1.02 -0.37 -4.34 118.68 124.98 2bjr s LEU 317 Ca 0.24 1.52 -0.07 0.00 0.02 0.00 0.00 54.13 55.84 2bjr s LEU 317 Cb -0.14 -4.49 -0.00 0.00 0.02 0.00 0.00 46.19 41.58 2bjr s LEU 317 CO 0.19 -0.81 0.07 -0.63 0.02 0.00 0.00 176.35 175.20 2bjr s ILE 318 N -2.90 4.01 -0.08 -0.59 -1.09 -1.26 -1.47 121.20 117.82 2bjr s ILE 318 Ca 0.57 -0.55 0.01 0.00 -2.23 0.00 0.00 60.65 58.45 2bjr s ILE 318 Cb -0.11 -3.00 0.02 0.00 -1.58 0.00 0.00 42.46 37.78 2bjr s ILE 318 CO 0.44 0.17 -0.09 -0.69 -1.23 0.00 0.00 174.94 173.53 2bjr s VAL 319 N 1.53 1.00 -1.63 2.92 1.01 -0.23 -4.74 120.40 120.26 2bjr s VAL 319 Ca 0.04 -0.34 -0.15 0.00 0.00 0.00 0.00 61.98 61.53 2bjr s VAL 319 Cb -0.16 -0.97 0.12 0.00 0.00 0.00 0.00 36.38 35.37 2bjr s VAL 319 CO 0.02 0.34 0.75 0.47 0.00 0.00 0.00 175.10 176.69 2bjr n ASP 320 N 4.32 -3.01 0.00 3.32 8.00 -1.26 -0.59 116.55 127.34 2bjr n ASP 320 Ca -0.19 -0.98 0.00 0.00 0.71 0.00 0.00 54.79 54.33 2bjr n ASP 320 Cb 0.51 -2.96 0.00 0.00 -0.02 0.00 0.00 41.12 38.65 2bjr n ASP 320 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2bjr n GLY 321 N -1.54 0.67 3.66 0.44 0.00 -1.26 -5.01 105.19 102.15 2bjr n GLY 321 Ca 0.01 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 2bjr n GLY 321 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2bjr s LYS 322 N -0.33 2.60 0.00 1.61 -0.14 0.25 -5.04 119.74 118.69 2bjr s LYS 322 Ca 0.00 -0.75 -0.30 0.00 -1.36 0.00 0.00 55.97 53.56 2bjr s LYS 322 Cb 0.00 -2.56 -0.03 0.00 -1.68 0.00 0.00 37.83 33.56 2bjr s LYS 322 CO 0.00 0.58 1.00 -1.21 -0.76 0.00 0.00 175.35 174.96 2bjr s GLU 323 N -1.89 4.54 -0.14 1.68 2.02 -0.12 -1.07 118.70 123.71 2bjr s GLU 323 Ca 0.22 1.45 -0.05 0.00 0.02 0.00 0.00 54.97 56.61 2bjr s GLU 323 Cb -0.11 -3.45 0.07 0.00 0.10 0.00 0.00 34.13 30.73 2bjr s GLU 323 CO 0.13 -0.08 0.30 -1.50 0.02 0.00 0.00 175.26 174.13 2bjr s ILE 324 N 1.07 -0.40 -0.02 -1.63 1.10 -0.54 -3.94 121.20 116.83 2bjr s ILE 324 Ca 0.52 0.24 -0.30 0.00 -0.51 0.00 0.00 60.65 60.60 2bjr s ILE 324 Cb -0.22 -0.49 -0.06 0.00 0.15 0.00 0.00 42.46 41.85 2bjr s ILE 324 CO 0.28 0.10 1.53 -0.22 -2.11 0.00 0.00 174.94 174.51 2bjr s LEU 325 N 2.28 4.32 0.00 8.50 2.96 -1.26 -1.24 118.68 134.24 2bjr s LEU 325 Ca -0.01 2.19 0.00 0.00 -0.22 0.00 0.00 54.13 56.09 2bjr s LEU 325 Cb -0.12 -3.55 0.00 0.00 0.50 0.00 0.00 46.19 43.02 2bjr s LEU 325 CO -0.10 -0.83 0.00 0.61 -1.32 0.00 0.00 176.35 174.72 2bjr n GLY 326 N 3.88 4.78 3.23 7.98 0.00 0.64 -4.36 105.19 121.34 2bjr n GLY 326 Ca 0.15 -0.57 -0.18 0.00 0.00 0.00 0.00 46.02 45.42 2bjr n GLY 326 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2bjr s LYS 327 N 4.62 0.98 0.04 1.61 -2.85 -0.44 -2.22 119.74 121.48 2bjr s LYS 327 Ca 0.00 -1.17 0.00 0.00 -1.00 0.00 0.00 55.97 53.80 2bjr s LYS 327 Cb 0.00 -0.90 -0.03 0.00 -2.06 0.00 0.00 37.83 34.84 2bjr s LYS 327 CO 0.00 0.18 -0.04 0.00 0.10 0.00 0.00 175.35 175.59 2bjr s ALA 328 N -1.91 0.42 -0.46 0.59 0.00 -0.16 -0.90 121.76 119.34 2bjr s ALA 328 Ca 0.06 -0.93 0.00 0.00 0.00 0.00 0.00 51.96 51.09 2bjr s ALA 328 Cb -0.06 0.18 0.12 0.00 0.00 0.00 0.00 23.12 23.36 2bjr s ALA 328 CO 0.03 -0.23 0.22 0.34 0.00 0.00 0.00 175.76 176.12 2bjr s ASP 329 N -2.21 4.96 0.18 0.00 -1.08 0.52 -0.97 116.67 118.06 2bjr s ASP 329 Ca -0.03 -2.42 -0.14 0.00 -0.52 0.00 0.00 52.55 49.44 2bjr s ASP 329 Cb -0.01 -1.75 0.12 0.00 -1.46 0.00 0.00 42.92 39.82 2bjr s ASP 329 CO -0.05 -0.41 1.78 0.40 0.52 0.00 0.00 175.17 177.42 2bjr h ILE 330 N 6.04 0.95 -0.08 4.11 1.08 -1.81 -0.78 117.51 127.03 2bjr h ILE 330 Ca -0.07 -0.16 -0.11 0.00 -0.39 0.00 0.00 64.86 64.12 2bjr h ILE 330 Cb 0.99 0.44 -0.01 0.00 -3.07 0.00 0.00 36.82 35.17 2bjr h ILE 330 CO 0.65 0.09 -0.46 0.03 -0.69 0.00 0.00 178.15 177.77 2bjr h ARG 331 N 0.47 0.18 -0.59 2.37 3.08 -1.95 -2.80 114.38 115.15 2bjr h ARG 331 Ca 0.21 -0.09 0.00 0.00 0.07 0.00 0.00 59.98 60.17 2bjr h ARG 331 Cb 0.13 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.18 2bjr h ARG 331 CO -0.15 0.61 0.00 0.09 -1.07 0.00 0.00 179.97 179.44 2bjr n ASN 332 N -3.99 4.28 -4.10 7.04 3.02 -1.09 -5.00 115.26 115.43 2bjr n ASN 332 Ca -0.02 -2.35 -0.42 0.00 -0.03 0.00 0.00 54.58 51.76 2bjr n ASN 332 Cb 0.51 -0.51 -0.00 0.00 -0.61 0.00 0.00 39.78 39.17 2bjr n ASN 332 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 2bjr n GLU 333 N 0.98 -0.36 -4.54 3.52 1.02 -0.33 -4.93 120.64 116.01 2bjr n GLU 333 Ca 0.23 0.03 -0.24 0.00 -0.02 0.00 0.00 57.16 57.16 2bjr n GLU 333 Cb 0.77 -2.42 -0.14 0.00 -0.02 0.00 0.00 31.44 29.64 2bjr n GLU 333 CO 0.00 0.00 0.00 0.50 1.18 0.00 0.00 177.13 178.81 2bjr s ARG 334 N -7.32 1.23 -0.12 3.49 3.52 -1.03 -3.40 118.95 115.31 2bjr s ARG 334 Ca 0.38 -0.88 -0.10 0.00 -0.13 0.00 0.00 55.73 55.00 2bjr s ARG 334 Cb -0.22 -1.31 0.03 0.00 -1.56 0.00 0.00 34.95 31.89 2bjr s ARG 334 CO 0.92 0.33 0.31 0.00 -0.81 0.00 0.00 175.30 176.05 2bjr s ALA 335 N -0.82 -0.76 0.12 6.12 0.00 -0.78 -0.36 121.76 125.28 2bjr s ALA 335 Ca 0.05 0.92 -0.01 0.00 0.00 0.00 0.00 51.96 52.93 2bjr s ALA 335 Cb -0.08 -0.54 -0.04 0.00 0.00 0.00 0.00 23.12 22.45 2bjr s ALA 335 CO 0.02 -0.16 0.05 0.95 0.00 0.00 0.00 175.76 176.62 2bjr s THR 336 N 0.35 0.12 0.08 0.00 -4.23 -0.07 -0.04 115.64 111.84 2bjr s THR 336 Ca -0.02 -1.88 0.01 0.00 -1.18 0.00 0.00 61.69 58.63 2bjr s THR 336 Cb -0.03 -1.95 -0.04 0.00 1.34 0.00 0.00 72.50 71.81 2bjr s THR 336 CO -0.01 -0.54 -0.06 0.27 -0.54 0.00 0.00 174.62 173.73 2bjr s ILE 337 N -4.03 0.56 -0.01 2.99 -4.36 -0.88 -1.32 121.20 114.15 2bjr s ILE 337 Ca 0.21 -1.80 -0.24 0.00 -0.26 0.00 0.00 60.65 58.56 2bjr s ILE 337 Cb 0.07 -1.50 -0.05 0.00 1.25 0.00 0.00 42.46 42.23 2bjr s ILE 337 CO -0.00 -0.84 0.74 -0.83 0.24 0.00 0.00 174.94 174.25 2bjr s GLY 338 N -2.83 2.72 -0.22 6.27 0.00 -1.26 -1.18 107.32 110.82 2bjr s GLY 338 Ca 0.08 0.22 -0.29 0.00 0.00 0.00 0.00 44.72 44.73 2bjr s GLY 338 CO -0.05 1.15 1.12 -0.47 0.00 0.00 0.00 173.10 174.85 2bjr s TYR 339 N 0.37 -0.28 -1.24 1.90 5.04 -0.03 -4.82 117.35 118.28 2bjr s TYR 339 Ca 0.39 0.52 -0.06 0.00 -2.44 0.00 0.00 57.07 55.48 2bjr s TYR 339 Cb -0.19 0.45 0.04 0.00 0.35 0.00 0.00 41.96 42.61 2bjr s TYR 339 CO 0.21 -0.23 0.35 0.41 -1.34 0.00 0.00 175.55 174.95 2bjr n GLY 340 N 0.92 -0.50 2.20 8.97 0.00 -1.26 -1.39 105.19 114.14 2bjr n GLY 340 Ca -0.08 0.07 -0.03 0.00 0.00 0.00 0.00 46.02 45.98 2bjr n GLY 340 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2bjr n GLY 341 N -1.10 0.58 2.23 -0.02 0.00 -1.26 -4.99 105.19 100.63 2bjr n GLY 341 Ca -0.07 -0.41 -0.08 0.00 0.00 0.00 0.00 46.02 45.46 2bjr n GLY 341 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2bjr n THR 342 N -2.80 0.00 -3.66 2.61 5.66 -0.49 -4.31 114.28 111.30 2bjr n THR 342 Ca -0.03 -0.96 -0.38 0.00 -3.05 0.00 0.00 64.05 59.64 2bjr n THR 342 Cb 0.15 0.67 -0.12 0.00 -1.55 0.00 0.00 70.33 69.49 2bjr n THR 342 CO 0.00 0.00 0.00 -0.70 -3.05 0.00 0.00 175.07 171.32 2bjr s GLU 343 N -2.35 3.71 -0.15 1.09 2.12 -1.14 -0.85 118.70 121.13 2bjr s GLU 343 Ca 0.16 -0.46 -0.20 0.00 0.36 0.00 0.00 54.97 54.82 2bjr s GLU 343 Cb -0.02 -3.53 -0.03 0.00 0.26 0.00 0.00 34.13 30.82 2bjr s GLU 343 CO 0.11 -0.24 0.58 0.21 -0.54 0.00 0.00 175.26 175.38 2bjr s LYS 344 N 1.68 4.29 -0.16 4.30 2.47 -0.32 -4.86 119.74 127.14 2bjr s LYS 344 Ca 0.06 0.58 -0.02 0.00 -1.56 0.00 0.00 55.97 55.04 2bjr s LYS 344 Cb -0.16 -3.51 -0.01 0.00 -1.46 0.00 0.00 37.83 32.69 2bjr s LYS 344 CO 0.07 -0.06 -0.10 0.08 0.16 0.00 0.00 175.35 175.51 2bjr s VAL 345 N 1.29 3.23 -0.12 4.02 1.01 -1.26 -2.08 120.40 126.49 2bjr s VAL 345 Ca 0.29 -0.58 -0.04 0.00 0.00 0.00 0.00 61.98 61.64 2bjr s VAL 345 Cb -0.16 -2.39 -0.03 0.00 0.00 0.00 0.00 36.38 33.79 2bjr s VAL 345 CO 0.12 0.50 0.02 -0.76 0.00 0.00 0.00 175.10 174.97 2bjr s LEU 346 N 0.63 3.65 0.24 3.92 1.43 0.94 -5.01 118.68 124.48 2bjr s LEU 346 Ca -0.06 0.11 0.04 0.00 -1.03 0.00 0.00 54.13 53.19 2bjr s LEU 346 Cb -0.15 -1.87 -0.05 0.00 0.03 0.00 0.00 46.19 44.15 2bjr s LEU 346 CO 0.03 0.30 -0.01 0.68 0.23 0.00 0.00 176.35 177.57 2bjr s VAL 347 N -0.39 1.13 0.00 -1.59 -7.23 -1.26 -1.86 120.40 109.19 2bjr s VAL 347 Ca 0.08 -2.05 0.00 0.00 -1.81 0.00 0.00 61.98 58.20 2bjr s VAL 347 Cb -0.12 -2.36 0.00 0.00 0.56 0.00 0.00 36.38 34.46 2bjr s VAL 347 CO 0.02 -0.32 0.00 0.61 -0.31 0.00 0.00 175.10 175.10 2bjr n GLY 348 N -0.44 3.25 0.37 2.32 0.00 -1.22 -2.91 105.19 106.55 2bjr n GLY 348 Ca -0.05 -0.19 0.15 0.00 0.00 0.00 0.00 46.02 45.93 2bjr n GLY 348 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2bjr h PRO 349 N 0.00 0.25 -0.28 1.61 0.13 -1.99 -2.12 132.00 129.59 2bjr h PRO 349 Ca 0.00 -0.01 -0.04 0.00 -0.87 0.00 0.00 66.00 65.07 2bjr h PRO 349 Cb 0.00 -0.06 -0.02 0.00 0.13 0.00 0.00 31.00 31.06 2bjr h PRO 349 CO 0.00 0.16 -0.01 0.00 -0.23 0.00 0.00 178.00 177.93 2bjr h ALA 350 N 1.71 1.47 0.00 -0.56 0.00 -1.93 -2.18 119.26 117.77 2bjr h ALA 350 Ca 0.28 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.02 2bjr h ALA 350 Cb 0.76 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.42 2bjr h ALA 350 CO -0.06 0.38 0.00 1.33 0.00 0.00 0.00 179.25 180.90 2bjr n VAL 351 N -4.31 0.73 0.80 0.00 0.24 -0.80 -3.17 118.33 111.82 2bjr n VAL 351 Ca 0.01 0.08 0.11 0.00 -2.04 0.00 0.00 64.34 62.49 2bjr n VAL 351 Cb 0.22 -0.95 0.48 0.00 -1.47 0.00 0.00 33.84 32.13 2bjr n VAL 351 CO 0.00 0.00 0.00 1.41 -2.14 0.00 0.00 176.83 176.10 2bjr n HIS 352 N -2.11 0.00 1.01 6.34 8.25 -0.82 -1.66 115.22 126.23 2bjr n HIS 352 Ca 0.04 0.00 0.13 0.00 -0.26 0.00 0.00 57.72 57.63 2bjr n HIS 352 Cb 0.28 -0.47 0.47 0.00 1.12 0.00 0.00 29.99 31.39 2bjr n HIS 352 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 2bjr n SER 353 N -1.47 0.22 -3.24 0.41 3.41 -1.19 -4.30 113.62 107.46 2bjr n SER 353 Ca 0.06 0.17 0.00 0.00 -0.26 0.00 0.00 58.87 58.84 2bjr n SER 353 Cb 0.25 -0.18 0.00 0.00 -0.26 0.00 0.00 64.21 64.01 2bjr n SER 353 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2bjr s VAL 356 N 0.00 0.00 -0.20 0.00 1.01 -0.11 -1.57 120.40 119.54 2bjr s VAL 356 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 61.98 61.69 2bjr s VAL 356 Cb 0.00 -1.00 -0.02 0.00 0.00 0.00 0.00 36.38 35.36 2bjr s VAL 356 CO 0.00 0.00 1.42 -0.22 0.00 0.00 0.00 175.10 176.30 2bjr s LEU 357 N 0.80 4.05 0.41 3.92 2.96 -0.74 -1.16 118.68 128.93 2bjr s LEU 357 Ca -0.03 1.62 0.07 0.00 -0.22 0.00 0.00 54.13 55.57 2bjr s LEU 357 Cb -0.04 -3.54 -0.08 0.00 0.50 0.00 0.00 46.19 43.04 2bjr s LEU 357 CO -0.12 -0.99 0.01 0.00 -1.32 0.00 0.00 176.35 173.93 2bjr s ARG 359 N -3.73 0.47 -0.10 0.00 1.70 0.43 -1.28 118.95 116.44 2bjr s ARG 359 Ca 0.34 -0.82 0.03 0.00 -0.47 0.00 0.00 55.73 54.80 2bjr s ARG 359 Cb 0.10 -0.02 0.01 0.00 -0.57 0.00 0.00 34.95 34.47 2bjr s ARG 359 CO 0.17 -0.03 -0.18 0.21 -1.08 0.00 0.00 175.30 174.39 2bjr s LYS 360 N -2.12 2.46 0.41 3.89 2.20 -0.47 -0.57 119.74 125.54 2bjr s LYS 360 Ca -0.08 -0.66 -0.26 0.00 -0.36 0.00 0.00 55.97 54.61 2bjr s LYS 360 Cb -0.06 -1.99 -0.09 0.00 -1.51 0.00 0.00 37.83 34.18 2bjr s LYS 360 CO -0.02 0.02 1.35 0.00 -0.36 0.00 0.00 175.35 176.34 2bjr s ALA 361 N 0.73 3.30 0.64 3.13 0.00 -1.26 -1.79 121.76 126.52 2bjr s ALA 361 Ca -0.11 1.33 -0.11 0.00 0.00 0.00 0.00 51.96 53.06 2bjr s ALA 361 Cb -0.16 -3.52 -0.03 0.00 0.00 0.00 0.00 23.12 19.41 2bjr s ALA 361 CO 0.02 -0.92 1.04 0.15 0.00 0.00 0.00 175.76 176.05 2bjr s LYS 362 N -2.24 3.41 0.22 0.00 1.02 -0.22 -4.89 119.74 117.04 2bjr s LYS 362 Ca 0.57 0.77 -0.31 0.00 0.02 0.00 0.00 55.97 57.02 2bjr s LYS 362 Cb -0.40 -2.06 -0.15 0.00 -0.52 0.00 0.00 37.83 34.70 2bjr s LYS 362 CO 0.52 -0.71 1.22 -2.30 -0.92 0.00 0.00 175.35 173.16 2bjr n PRO 363 N -2.85 1.52 -1.10 -1.68 -0.02 -1.26 -1.65 135.00 127.96 2bjr n PRO 363 Ca 0.06 0.54 -0.03 0.00 -2.02 0.00 0.00 63.50 62.05 2bjr n PRO 363 Cb 0.54 -2.07 -0.01 0.00 -0.02 0.00 0.00 33.50 31.93 2bjr n PRO 363 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2bjr n GLY 364 N 1.89 0.62 3.27 -1.23 0.00 -1.26 -5.03 105.19 103.45 2bjr n GLY 364 Ca 0.13 -0.38 -0.20 0.00 0.00 0.00 0.00 46.02 45.57 2bjr n GLY 364 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bjr s THR 366 N -1.88 1.55 0.19 0.00 2.01 -1.26 -4.66 115.64 111.58 2bjr s THR 366 Ca 0.10 -0.69 0.08 0.00 0.31 0.00 0.00 61.69 61.49 2bjr s THR 366 Cb -0.06 -1.40 -0.04 0.00 0.01 0.00 0.00 72.50 71.00 2bjr s THR 366 CO 0.04 0.45 -0.15 0.27 -0.69 0.00 0.00 174.62 174.54 2bjr s ILE 367 N 0.84 1.71 -2.33 1.82 -4.36 -1.26 -4.88 121.20 112.74 2bjr s ILE 367 Ca -0.10 -2.12 0.19 0.00 -0.26 0.00 0.00 60.65 58.36 2bjr s ILE 367 Cb -0.15 -1.96 0.15 0.00 1.25 0.00 0.00 42.46 41.74 2bjr s ILE 367 CO 0.01 -0.53 1.09 -0.90 0.24 0.00 0.00 174.94 174.85