#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b3j s PRO 2 N 0.00 3.40 0.06 3.44 0.05 -1.26 -4.80 135.00 135.89 1b3j s PRO 2 Ca 0.00 0.34 -0.01 0.00 0.05 0.00 0.00 61.00 61.37 1b3j s PRO 2 Cb 0.00 -2.25 -0.04 0.00 0.05 0.00 0.00 34.50 32.26 1b3j s PRO 2 CO 0.00 -0.45 -0.01 -1.01 0.05 0.00 0.00 177.00 175.58 1b3j s HIS 3 N -2.95 0.53 0.11 0.56 3.76 -0.73 -4.98 115.29 111.58 1b3j s HIS 3 Ca 0.51 -1.06 -0.21 0.00 -0.15 0.00 0.00 55.06 54.16 1b3j s HIS 3 Cb -0.11 -0.38 0.05 0.00 1.11 0.00 0.00 32.58 33.26 1b3j s HIS 3 CO 0.48 -0.40 0.51 -1.54 -0.85 0.00 0.00 174.74 172.94 1b3j s SER 4 N -2.93 -0.42 -0.00 1.40 1.04 -1.26 0.52 113.70 112.06 1b3j s SER 4 Ca 0.08 -0.04 0.01 0.00 0.48 0.00 0.00 55.95 56.48 1b3j s SER 4 Cb 0.08 0.52 -0.00 0.00 0.10 0.00 0.00 66.02 66.72 1b3j s SER 4 CO -0.09 -0.84 -0.02 -0.22 0.98 0.00 0.00 173.24 173.04 1b3j s LEU 5 N -2.49 1.99 -0.07 2.42 2.96 0.01 -0.05 118.68 123.44 1b3j s LEU 5 Ca -0.01 -0.04 -0.04 0.00 -0.22 0.00 0.00 54.13 53.83 1b3j s LEU 5 Cb 0.00 -0.11 0.04 0.00 0.50 0.00 0.00 46.19 46.62 1b3j s LEU 5 CO -0.09 0.02 0.17 -0.60 -1.32 0.00 0.00 176.35 174.54 1b3j s ARG 6 N -0.03 0.13 -0.12 1.98 3.52 -0.86 -2.24 118.95 121.32 1b3j s ARG 6 Ca 0.01 0.38 0.00 0.00 -0.13 0.00 0.00 55.73 55.99 1b3j s ARG 6 Cb -0.01 -0.13 -0.01 0.00 -1.56 0.00 0.00 34.95 33.23 1b3j s ARG 6 CO -0.00 -0.15 -0.14 0.71 -0.81 0.00 0.00 175.30 174.92 1b3j s TYR 7 N 1.04 2.79 -0.42 5.12 1.51 -0.56 -1.38 117.35 125.45 1b3j s TYR 7 Ca -0.08 -0.63 -0.00 0.00 -1.01 0.00 0.00 57.07 55.35 1b3j s TYR 7 Cb -0.10 -1.82 0.12 0.00 -0.11 0.00 0.00 41.96 40.04 1b3j s TYR 7 CO -0.06 -0.19 0.19 1.21 -1.11 0.00 0.00 175.55 175.59 1b3j s ASN 8 N 0.28 5.05 -0.24 2.29 3.84 0.29 -1.52 114.94 124.93 1b3j s ASN 8 Ca -0.10 -2.24 -0.14 0.00 0.21 0.00 0.00 52.86 50.59 1b3j s ASN 8 Cb -0.16 -1.76 -0.04 0.00 -0.55 0.00 0.00 41.25 38.74 1b3j s ASN 8 CO 0.06 -0.45 0.33 -0.22 -2.79 0.00 0.00 177.10 174.02 1b3j s LEU 9 N 0.82 4.10 -0.07 3.21 2.96 -0.75 -0.74 118.68 128.21 1b3j s LEU 9 Ca 0.11 0.33 0.03 0.00 -0.22 0.00 0.00 54.13 54.37 1b3j s LEU 9 Cb -0.22 -2.37 -0.02 0.00 0.50 0.00 0.00 46.19 44.08 1b3j s LEU 9 CO -0.05 -0.08 -0.16 -0.89 -1.32 0.00 0.00 176.35 173.85 1b3j s THR 10 N 1.52 2.86 0.01 3.68 2.01 -0.21 -1.08 115.64 124.43 1b3j s THR 10 Ca 0.15 -0.77 0.03 0.00 0.31 0.00 0.00 61.69 61.40 1b3j s THR 10 Cb -0.15 -2.13 -0.01 0.00 0.01 0.00 0.00 72.50 70.22 1b3j s THR 10 CO 0.08 0.57 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.79 1b3j s VAL 11 N -0.31 0.76 0.18 3.82 1.01 -0.14 -2.63 120.40 123.08 1b3j s VAL 11 Ca 0.02 -0.59 0.06 0.00 0.00 0.00 0.00 61.98 61.47 1b3j s VAL 11 Cb -0.13 -0.67 -0.04 0.00 0.00 0.00 0.00 36.38 35.54 1b3j s VAL 11 CO 0.03 0.08 0.09 -0.76 0.00 0.00 0.00 175.10 174.54 1b3j s LEU 12 N -0.57 3.62 -0.19 3.92 1.43 -1.26 -0.05 118.68 125.59 1b3j s LEU 12 Ca 0.01 -0.24 -0.04 0.00 -1.03 0.00 0.00 54.13 52.83 1b3j s LEU 12 Cb -0.05 -2.23 0.09 0.00 0.03 0.00 0.00 46.19 44.03 1b3j s LEU 12 CO 0.00 0.07 0.31 -0.55 0.23 0.00 0.00 176.35 176.40 1b3j s SER 13 N -3.11 0.48 -0.32 2.29 0.15 0.12 -1.91 113.70 111.41 1b3j s SER 13 Ca 0.30 0.36 -0.12 0.00 0.70 0.00 0.00 55.95 57.18 1b3j s SER 13 Cb -0.10 0.83 -0.03 0.00 -1.71 0.00 0.00 66.02 65.01 1b3j s SER 13 CO 0.22 -0.28 0.23 0.86 1.20 0.00 0.00 173.24 175.48 1b3j s TRP 14 N 2.46 3.23 -1.25 3.44 -0.11 0.31 -0.10 118.94 126.90 1b3j s TRP 14 Ca 0.05 -0.08 -0.27 0.00 1.22 0.00 0.00 56.10 57.02 1b3j s TRP 14 Cb -0.14 -2.46 0.03 0.00 -1.50 0.00 0.00 33.47 29.40 1b3j s TRP 14 CO -0.12 -0.29 0.61 -0.25 -4.62 0.00 0.00 176.95 172.27 1b3j n ASP 15 N 5.11 -3.54 0.00 5.86 9.92 0.17 -0.68 116.55 133.39 1b3j n ASP 15 Ca -0.13 -1.25 0.00 0.00 -0.53 0.00 0.00 54.79 52.89 1b3j n ASP 15 Cb 0.50 -1.98 0.00 0.00 -0.64 0.00 0.00 41.12 39.01 1b3j n ASP 15 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1b3j n GLY 16 N -2.09 1.64 3.77 0.44 0.00 -1.26 -4.96 105.19 102.72 1b3j n GLY 16 Ca -0.14 -0.23 -0.40 0.00 0.00 0.00 0.00 46.02 45.25 1b3j n GLY 16 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1b3j s SER 17 N 0.00 6.72 -0.23 1.61 0.15 0.15 -4.87 113.70 117.22 1b3j s SER 17 Ca 0.00 2.48 -0.10 0.00 0.70 0.00 0.00 55.95 59.03 1b3j s SER 17 Cb 0.00 -2.63 -0.05 0.00 -1.71 0.00 0.00 66.02 61.63 1b3j s SER 17 CO 0.00 -0.55 0.14 -0.69 1.20 0.00 0.00 173.24 173.34 1b3j s VAL 18 N -1.26 5.16 0.67 4.45 1.01 -1.26 0.11 120.40 129.28 1b3j s VAL 18 Ca 0.52 0.11 -0.15 0.00 0.00 0.00 0.00 61.98 62.46 1b3j s VAL 18 Cb -0.35 -3.40 0.01 0.00 0.00 0.00 0.00 36.38 32.64 1b3j s VAL 18 CO 0.45 0.36 1.12 -1.10 0.00 0.00 0.00 175.10 175.92 1b3j s GLN 19 N 1.03 2.73 0.29 2.72 -1.52 -0.80 -4.94 119.66 119.17 1b3j s GLN 19 Ca 0.07 1.40 0.12 0.00 -1.95 0.00 0.00 55.36 55.00 1b3j s GLN 19 Cb -0.14 -1.94 0.40 0.00 -0.22 0.00 0.00 33.01 31.11 1b3j s GLN 19 CO 0.04 -1.31 1.62 0.77 -0.25 0.00 0.00 175.29 176.16 1b3j h SER 20 N -0.06 0.00 -3.67 5.90 0.02 -1.98 -3.45 113.55 110.32 1b3j h SER 20 Ca -0.47 0.00 -0.49 0.00 -0.84 0.00 0.00 61.79 59.99 1b3j h SER 20 Cb 1.25 0.00 0.03 0.00 0.14 0.00 0.00 62.40 63.82 1b3j h SER 20 CO 0.54 0.58 0.13 -0.83 -1.14 0.00 0.00 176.83 176.11 1b3j s GLY 21 N -4.45 1.65 -0.01 -3.77 0.00 -1.26 -5.00 107.32 94.48 1b3j s GLY 21 Ca -0.01 -0.38 -0.29 0.00 0.00 0.00 0.00 44.72 44.04 1b3j s GLY 21 CO 0.75 -0.20 0.99 -0.11 0.00 0.00 0.00 173.10 174.53 1b3j s PHE 22 N -2.65 -0.25 0.01 1.90 -0.12 -1.26 -4.37 117.98 111.24 1b3j s PHE 22 Ca 0.49 0.10 -0.02 0.00 -0.05 0.00 0.00 56.93 57.45 1b3j s PHE 22 Cb -0.10 0.55 -0.01 0.00 -0.63 0.00 0.00 43.02 42.83 1b3j s PHE 22 CO 0.41 -0.51 0.02 -1.17 -0.05 0.00 0.00 175.22 173.92 1b3j s LEU 23 N -2.54 2.00 -0.12 -1.99 2.96 -1.08 -4.14 118.68 113.76 1b3j s LEU 23 Ca 0.08 -0.28 0.03 0.00 -0.22 0.00 0.00 54.13 53.74 1b3j s LEU 23 Cb -0.01 0.22 0.00 0.00 0.50 0.00 0.00 46.19 46.91 1b3j s LEU 23 CO -0.06 -0.23 -0.22 -0.89 -1.32 0.00 0.00 176.35 173.62 1b3j s THR 24 N -1.02 2.11 -0.24 3.68 2.01 -0.80 -1.04 115.64 120.34 1b3j s THR 24 Ca -0.11 -0.98 -0.07 0.00 0.31 0.00 0.00 61.69 60.83 1b3j s THR 24 Cb -0.07 -1.83 -0.03 0.00 0.01 0.00 0.00 72.50 70.58 1b3j s THR 24 CO -0.00 0.55 0.07 -1.61 -0.69 0.00 0.00 174.62 172.94 1b3j s GLU 25 N 0.58 3.70 -0.09 4.92 2.02 0.08 -1.34 118.70 128.57 1b3j s GLU 25 Ca -0.13 -0.46 0.04 0.00 0.02 0.00 0.00 54.97 54.45 1b3j s GLU 25 Cb -0.17 -3.32 -0.01 0.00 0.10 0.00 0.00 34.13 30.73 1b3j s GLU 25 CO 0.03 -0.13 -0.22 0.08 0.02 0.00 0.00 175.26 175.04 1b3j s VAL 26 N 1.48 2.30 -0.14 2.63 1.01 -0.80 0.10 120.40 126.98 1b3j s VAL 26 Ca 0.06 -0.96 0.01 0.00 0.00 0.00 0.00 61.98 61.09 1b3j s VAL 26 Cb -0.15 -1.88 0.02 0.00 0.00 0.00 0.00 36.38 34.37 1b3j s VAL 26 CO 0.04 0.56 -0.14 -1.00 0.00 0.00 0.00 175.10 174.55 1b3j s HIS 27 N 0.09 2.11 -0.18 5.22 3.76 -0.48 -1.02 115.29 124.81 1b3j s HIS 27 Ca -0.10 -1.14 -0.09 0.00 -0.15 0.00 0.00 55.06 53.58 1b3j s HIS 27 Cb -0.16 -1.55 -0.05 0.00 1.11 0.00 0.00 32.58 31.94 1b3j s HIS 27 CO 0.06 -0.62 0.12 -1.17 -0.85 0.00 0.00 174.74 172.28 1b3j s LEU 28 N 1.36 4.18 -1.66 0.89 0.20 -0.08 -2.03 118.68 121.54 1b3j s LEU 28 Ca 0.02 0.26 -0.11 0.00 0.69 0.00 0.00 54.13 54.99 1b3j s LEU 28 Cb -0.13 -2.06 0.11 0.00 -0.43 0.00 0.00 46.19 43.67 1b3j s LEU 28 CO -0.08 0.23 0.42 0.47 -0.29 0.00 0.00 176.35 177.10 1b3j n ASP 29 N 3.16 -0.99 -1.58 3.68 9.92 0.93 -0.20 116.55 131.47 1b3j n ASP 29 Ca -0.17 -1.17 -0.13 0.00 -0.53 0.00 0.00 54.79 52.79 1b3j n ASP 29 Cb 0.53 -2.09 -0.00 0.00 -0.64 0.00 0.00 41.12 38.92 1b3j n ASP 29 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1b3j n GLY 30 N -1.78 -0.16 2.90 0.44 0.00 -1.26 -4.92 105.19 100.40 1b3j n GLY 30 Ca -0.11 -0.31 -0.12 0.00 0.00 0.00 0.00 46.02 45.48 1b3j n GLY 30 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1b3j s GLN 31 N -4.75 0.03 -0.32 1.61 -1.52 0.72 -5.09 119.66 110.34 1b3j s GLN 31 Ca 0.03 0.06 -0.40 0.00 -1.95 0.00 0.00 55.36 53.10 1b3j s GLN 31 Cb -0.01 -0.00 -0.15 0.00 -0.22 0.00 0.00 33.01 32.62 1b3j s GLN 31 CO 0.04 -0.02 1.84 -2.30 -0.25 0.00 0.00 175.29 174.60 1b3j n PRO 32 N 3.15 1.00 -0.05 2.91 -0.02 -1.26 -0.91 135.00 139.82 1b3j n PRO 32 Ca -0.13 0.35 -0.10 0.00 -2.02 0.00 0.00 63.50 61.60 1b3j n PRO 32 Cb 0.59 -2.09 -0.03 0.00 -0.02 0.00 0.00 33.50 31.95 1b3j n PRO 32 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 1b3j n PHE 33 N 6.18 0.00 -3.91 6.00 7.35 -0.18 -3.29 117.46 129.60 1b3j n PHE 33 Ca 0.31 0.00 -0.09 0.00 -0.76 0.00 0.00 57.45 56.91 1b3j n PHE 33 Cb 0.12 -0.39 -0.06 0.00 0.35 0.00 0.00 39.48 39.50 1b3j n PHE 33 CO 0.00 0.00 0.00 -0.51 -0.76 0.00 0.00 176.76 175.49 1b3j s LEU 34 N -7.17 0.84 -0.03 -2.13 1.43 -1.08 -0.15 118.68 110.39 1b3j s LEU 34 Ca -0.18 -0.78 -0.00 0.00 -1.03 0.00 0.00 54.13 52.14 1b3j s LEU 34 Cb 0.05 1.35 0.03 0.00 0.03 0.00 0.00 46.19 47.65 1b3j s LEU 34 CO 0.24 -0.91 0.02 -0.13 0.23 0.00 0.00 176.35 175.80 1b3j s ARG 35 N -3.94 0.15 -0.09 1.70 0.52 -0.16 -1.90 118.95 115.24 1b3j s ARG 35 Ca 0.15 0.16 0.03 0.00 -0.52 0.00 0.00 55.73 55.54 1b3j s ARG 35 Cb 0.03 -0.43 0.01 0.00 0.52 0.00 0.00 34.95 35.07 1b3j s ARG 35 CO -0.01 -0.18 -0.18 0.00 0.02 0.00 0.00 175.30 174.95 1b3j n ASP 37 N 3.74 0.00 0.00 0.00 8.00 0.41 -1.90 116.55 126.80 1b3j n ASP 37 Ca -0.21 0.00 0.11 0.00 0.71 0.00 0.00 54.79 55.40 1b3j n ASP 37 Cb 0.52 0.00 -0.12 0.00 -0.02 0.00 0.00 41.12 41.50 1b3j n ASP 37 CO 0.00 0.00 0.00 -2.11 -0.39 0.00 0.00 177.20 174.70 1b3j n ARG 38 N 0.00 0.39 -0.29 -1.24 1.85 -1.26 -4.35 116.66 111.77 1b3j n ARG 38 Ca 0.00 -0.10 0.02 0.00 -1.00 0.00 0.00 57.85 56.78 1b3j n ARG 38 Cb 0.00 -1.53 0.03 0.00 -1.05 0.00 0.00 32.46 29.91 1b3j n ARG 38 CO 0.00 0.00 0.00 1.04 -0.01 0.00 0.00 177.63 178.66 1b3j n GLN 39 N -1.98 0.51 -3.58 2.89 3.00 -1.26 -4.89 117.38 112.07 1b3j n GLN 39 Ca -0.00 -1.35 -0.12 0.00 -0.01 0.00 0.00 57.00 55.52 1b3j n GLN 39 Cb 0.47 -0.78 -0.06 0.00 0.00 0.00 0.00 30.24 29.88 1b3j n GLN 39 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.06 177.21 1b3j s LYS 40 N -0.78 0.65 -0.16 -1.09 1.02 -1.26 -5.12 119.74 113.01 1b3j s LYS 40 Ca 0.08 0.28 0.01 0.00 0.02 0.00 0.00 55.97 56.35 1b3j s LYS 40 Cb 0.07 0.31 0.02 0.00 -0.52 0.00 0.00 37.83 37.71 1b3j s LYS 40 CO 0.01 -0.18 -0.16 0.00 -0.92 0.00 0.00 175.35 174.10 1b3j s ARG 42 N 1.40 3.77 0.49 0.00 1.81 0.10 -4.84 118.95 121.68 1b3j s ARG 42 Ca 0.04 -0.35 -0.21 0.00 -1.72 0.00 0.00 55.73 53.50 1b3j s ARG 42 Cb -0.13 -3.13 -0.08 0.00 -0.45 0.00 0.00 34.95 31.16 1b3j s ARG 42 CO -0.11 0.38 1.08 0.00 -0.68 0.00 0.00 175.30 175.97 1b3j s ALA 43 N 0.07 2.85 0.00 2.13 0.00 -1.26 -0.99 121.76 124.56 1b3j s ALA 43 Ca 0.05 0.71 0.00 0.00 0.00 0.00 0.00 51.96 52.72 1b3j s ALA 43 Cb -0.12 -3.30 0.00 0.00 0.00 0.00 0.00 23.12 19.70 1b3j s ALA 43 CO 0.01 -0.46 0.00 1.63 0.00 0.00 0.00 175.76 176.94 1b3j n LYS 44 N -0.92 3.35 0.00 0.00 4.76 0.79 -4.76 118.16 121.38 1b3j n LYS 44 Ca 0.09 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.53 1b3j n LYS 44 Cb 0.51 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.70 1b3j n LYS 44 CO 0.00 0.00 0.00 -0.35 -1.37 0.00 0.00 177.40 175.68 1b3j n PRO 45 N -0.03 0.00 -0.17 1.97 -0.04 -1.25 -0.19 135.00 135.29 1b3j n PRO 45 Ca 0.00 0.62 0.29 0.00 -0.04 0.00 0.00 63.50 64.37 1b3j n PRO 45 Cb 0.00 -1.27 0.72 0.00 -0.04 0.00 0.00 33.50 32.91 1b3j n PRO 45 CO 0.00 0.00 0.00 0.37 -0.04 0.00 0.00 175.50 175.83 1b3j h GLN 46 N 0.00 0.00 -0.49 0.54 5.75 -1.82 0.20 115.11 119.29 1b3j h GLN 46 Ca 0.00 0.00 0.10 0.00 -0.15 0.00 0.00 58.65 58.60 1b3j h GLN 46 Cb 0.00 0.00 -0.09 0.00 1.07 0.00 0.00 27.48 28.46 1b3j h GLN 46 CO 0.00 0.00 -0.05 0.78 -2.65 0.00 0.00 178.83 176.91 1b3j h GLY 47 N 0.00 0.44 0.46 2.39 0.00 -0.43 -0.17 103.07 105.77 1b3j h GLY 47 Ca 0.43 0.10 -0.01 0.00 0.00 0.00 0.00 47.33 47.85 1b3j h GLY 47 CO -0.00 -0.16 -0.05 1.46 0.00 0.00 0.00 176.54 177.78 1b3j h GLN 48 N 0.06 -0.14 -0.02 4.80 1.08 0.11 0.09 115.11 121.10 1b3j h GLN 48 Ca 0.24 0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.46 1b3j h GLN 48 Cb 0.37 0.03 -0.00 0.00 -0.05 0.00 0.00 27.48 27.83 1b3j h GLN 48 CO -0.45 0.32 -0.01 0.91 -0.95 0.00 0.00 178.83 178.64 1b3j n TRP 49 N -4.92 -0.01 0.08 2.96 5.03 -0.76 0.16 117.44 119.98 1b3j n TRP 49 Ca -0.08 0.03 -0.06 0.00 3.03 0.00 0.00 57.50 60.42 1b3j n TRP 49 Cb 0.27 -0.16 -0.03 0.00 -1.03 0.00 0.00 31.31 30.36 1b3j n TRP 49 CO 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 177.69 177.66 1b3j h ALA 50 N -0.20 -0.84 0.00 6.99 0.00 -1.06 -3.11 119.26 121.05 1b3j h ALA 50 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1b3j h ALA 50 Cb 0.01 0.45 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1b3j h ALA 50 CO -0.02 -0.85 0.00 -1.91 0.00 0.00 0.00 179.25 176.47 1b3j n GLU 51 N -3.32 0.00 0.00 0.00 4.07 0.42 -0.70 120.64 121.12 1b3j n GLU 51 Ca -0.04 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.06 1b3j n GLU 51 Cb 0.14 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.52 1b3j n GLU 51 CO 0.00 0.00 0.00 -0.25 -0.06 0.00 0.00 177.13 176.82 1b3j n ASP 52 N -3.43 0.00 -0.16 4.31 8.00 -0.63 0.22 116.55 124.86 1b3j n ASP 52 Ca 0.00 0.68 -0.04 0.00 0.71 0.00 0.00 54.79 56.14 1b3j n ASP 52 Cb 0.00 -0.18 -0.04 0.00 -0.02 0.00 0.00 41.12 40.88 1b3j n ASP 52 CO 0.00 0.00 0.00 1.33 -0.39 0.00 0.00 177.20 178.14 1b3j n VAL 53 N -1.12 -0.26 0.00 2.53 0.24 0.13 -2.11 118.33 117.73 1b3j n VAL 53 Ca 0.00 1.09 0.03 0.00 -2.04 0.00 0.00 64.34 63.42 1b3j n VAL 53 Cb 0.00 -1.37 -0.11 0.00 -1.47 0.00 0.00 33.84 30.89 1b3j n VAL 53 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1b3j n LEU 54 N -4.17 0.43 0.00 1.34 -0.00 -1.22 -5.06 117.00 108.33 1b3j n LEU 54 Ca 0.01 0.18 0.00 0.00 -0.00 0.00 0.00 56.01 56.20 1b3j n LEU 54 Cb 0.10 0.11 0.00 0.00 -0.00 0.00 0.00 43.42 43.63 1b3j n LEU 54 CO -0.06 0.12 0.00 0.61 -0.00 0.00 0.00 177.39 178.06 1b3j n GLY 55 N 1.39 1.14 0.00 1.47 0.00 0.13 -4.60 105.19 104.72 1b3j n GLY 55 Ca -0.11 -0.75 0.00 0.00 0.00 0.00 0.00 46.02 45.16 1b3j n GLY 55 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1b3j n ASN 56 N 1.11 0.22 -0.13 1.61 0.23 -1.26 -4.40 115.26 112.64 1b3j n ASN 56 Ca 0.00 -0.57 0.12 0.00 -0.53 0.00 0.00 54.58 53.60 1b3j n ASN 56 Cb 0.00 0.62 0.23 0.00 -2.08 0.00 0.00 39.78 38.54 1b3j n ASN 56 CO 0.00 0.00 0.00 0.29 -0.93 0.00 0.00 177.26 176.62 1b3j n LYS 57 N -0.62 -0.03 -0.39 -3.83 5.02 -1.26 -0.63 118.16 116.42 1b3j n LYS 57 Ca 0.00 0.57 -0.04 0.00 -2.02 0.00 0.00 58.31 56.81 1b3j n LYS 57 Cb 0.01 -1.00 -0.06 0.00 -0.02 0.00 0.00 35.03 33.96 1b3j n LYS 57 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1b3j n THR 58 N -3.97 1.20 0.00 -0.18 -2.24 -1.26 -3.68 114.28 104.14 1b3j n THR 58 Ca 0.15 -0.56 0.00 0.00 -2.27 0.00 0.00 64.05 61.37 1b3j n THR 58 Cb 0.50 -1.62 0.00 0.00 -2.10 0.00 0.00 70.33 67.11 1b3j n THR 58 CO 0.00 0.00 0.00 1.87 -0.57 0.00 0.00 175.07 176.37 1b3j n TRP 59 N 2.61 0.00 0.00 4.78 -0.00 0.19 -4.74 117.44 120.28 1b3j n TRP 59 Ca 0.15 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.65 1b3j n TRP 59 Cb 0.36 0.00 0.00 0.00 -0.00 0.00 0.00 31.31 31.67 1b3j n TRP 59 CO 0.00 0.00 0.00 -0.25 -0.00 0.00 0.00 177.69 177.44 1b3j n ASP 60 N 0.00 0.00 -0.37 5.87 9.92 -1.24 0.10 116.55 130.83 1b3j n ASP 60 Ca 0.00 0.28 -0.11 0.00 -0.53 0.00 0.00 54.79 54.43 1b3j n ASP 60 Cb 0.00 0.00 -0.10 0.00 -0.64 0.00 0.00 41.12 40.38 1b3j n ASP 60 CO 0.00 0.00 0.00 -0.09 0.13 0.00 0.00 177.20 177.24 1b3j h ARG 61 N 0.00 -0.05 0.00 -1.24 2.43 -1.95 -0.56 114.38 113.01 1b3j h ARG 61 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1b3j h ARG 61 Cb 0.00 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.56 1b3j h ARG 61 CO 0.00 -0.04 0.00 0.39 -1.51 0.00 0.00 179.97 178.81 1b3j n GLU 62 N -5.19 0.00 -0.33 0.20 -0.58 -1.02 -2.17 120.64 111.54 1b3j n GLU 62 Ca 0.01 0.57 0.24 0.00 -0.42 0.00 0.00 57.16 57.57 1b3j n GLU 62 Cb 0.26 -1.38 0.46 0.00 -0.57 0.00 0.00 31.44 30.21 1b3j n GLU 62 CO 0.00 0.00 0.00 1.79 -0.48 0.00 0.00 177.13 178.44 1b3j h THR 63 N 0.00 0.02 0.63 2.62 1.35 0.87 -0.27 112.91 118.14 1b3j h THR 63 Ca 0.00 -0.01 -0.02 0.00 -0.55 0.00 0.00 66.41 65.83 1b3j h THR 63 Cb 0.00 0.00 -0.01 0.00 -1.73 0.00 0.00 68.15 66.41 1b3j h THR 63 CO 0.00 0.00 -0.49 -0.09 -0.25 0.00 0.00 175.52 174.70 1b3j h ARG 64 N 0.02 -1.04 -0.59 4.72 2.43 -0.84 -2.35 114.38 116.72 1b3j h ARG 64 Ca 0.74 0.07 -0.02 0.00 -0.81 0.00 0.00 59.98 59.96 1b3j h ARG 64 Cb 1.79 0.24 -0.03 0.00 -0.42 0.00 0.00 29.97 31.55 1b3j h ARG 64 CO -0.83 -0.70 0.28 -0.44 -1.51 0.00 0.00 179.97 176.77 1b3j h ASP 65 N -1.08 0.78 -0.61 -3.80 3.32 -0.60 -2.88 116.42 111.55 1b3j h ASP 65 Ca -0.08 -0.14 -0.01 0.00 0.02 0.00 0.00 57.03 56.82 1b3j h ASP 65 Cb 0.90 -0.20 -0.03 0.00 0.22 0.00 0.00 39.33 40.23 1b3j h ASP 65 CO 0.02 0.70 0.35 -0.07 -1.72 0.00 0.00 179.24 178.51 1b3j h LEU 66 N 0.81 0.75 -0.37 1.55 3.38 -1.18 -2.02 115.31 118.23 1b3j h LEU 66 Ca 0.20 -0.08 0.01 0.00 0.09 0.00 0.00 57.88 58.10 1b3j h LEU 66 Cb 0.13 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.67 1b3j h LEU 66 CO -0.02 0.61 0.22 0.74 0.09 0.00 0.00 178.44 180.08 1b3j h THR 67 N 0.82 1.05 0.03 0.22 2.02 -1.38 -0.16 112.91 115.51 1b3j h THR 67 Ca 0.22 -0.16 0.02 0.00 0.77 0.00 0.00 66.41 67.26 1b3j h THR 67 Cb 0.02 0.56 -0.05 0.00 -1.74 0.00 0.00 68.15 66.94 1b3j h THR 67 CO -0.04 0.08 -0.48 1.23 0.37 0.00 0.00 175.52 176.69 1b3j h GLY 68 N 0.45 -1.17 0.54 2.16 0.00 -1.22 0.35 103.07 104.18 1b3j h GLY 68 Ca 0.14 0.65 0.17 0.00 0.00 0.00 0.00 47.33 48.30 1b3j h GLY 68 CO -0.06 -0.27 0.54 3.43 0.00 0.00 0.00 176.54 180.18 1b3j h ASN 69 N -0.62 0.36 0.46 0.19 2.35 -1.19 0.10 115.58 117.23 1b3j h ASN 69 Ca 0.01 0.03 -0.02 0.00 -0.55 0.00 0.00 56.30 55.76 1b3j h ASN 69 Cb 0.65 -0.04 0.00 0.00 0.05 0.00 0.00 38.32 38.98 1b3j h ASN 69 CO -0.30 0.17 -0.23 1.23 -1.65 0.00 0.00 177.43 176.65 1b3j h GLY 70 N 0.37 -0.68 -0.19 2.83 0.00 0.12 0.12 103.07 105.64 1b3j h GLY 70 Ca 0.40 0.25 0.30 0.00 0.00 0.00 0.00 47.33 48.28 1b3j h GLY 70 CO -0.13 -0.24 0.74 0.50 0.00 0.00 0.00 176.54 177.41 1b3j h LYS 71 N -0.63 0.17 0.24 4.80 1.57 0.58 0.18 116.57 123.49 1b3j h LYS 71 Ca -0.06 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.69 1b3j h LYS 71 Cb 0.48 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.75 1b3j h LYS 71 CO 0.10 0.11 -0.12 -0.44 -0.57 0.00 0.00 179.45 178.54 1b3j h ASP 72 N 0.18 -0.27 -0.95 0.86 3.32 -0.44 -2.99 116.42 116.12 1b3j h ASP 72 Ca 0.56 -0.21 0.02 0.00 0.02 0.00 0.00 57.03 57.43 1b3j h ASP 72 Cb 1.85 0.07 -0.05 0.00 0.22 0.00 0.00 39.33 41.42 1b3j h ASP 72 CO -0.14 0.08 0.63 0.25 -1.72 0.00 0.00 179.24 178.34 1b3j h LEU 73 N -0.66 1.07 -0.93 1.55 6.46 0.15 -0.96 115.31 122.00 1b3j h LEU 73 Ca -0.03 -0.02 0.26 0.00 -0.12 0.00 0.00 57.88 57.97 1b3j h LEU 73 Cb 0.47 -0.26 -0.16 0.00 -0.73 0.00 0.00 40.66 39.98 1b3j h LEU 73 CO 0.05 0.75 0.15 0.03 -0.62 0.00 0.00 178.44 178.81 1b3j h ARG 74 N 1.25 0.09 0.38 1.25 3.08 -0.62 0.30 114.38 120.10 1b3j h ARG 74 Ca 0.36 -0.01 -0.02 0.00 0.07 0.00 0.00 59.98 60.39 1b3j h ARG 74 Cb -0.07 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 29.96 1b3j h ARG 74 CO -0.10 0.06 -0.18 0.52 -1.07 0.00 0.00 179.97 179.20 1b3j h MET 75 N 0.09 -0.49 -0.54 0.04 2.86 -1.10 -2.14 114.93 113.65 1b3j h MET 75 Ca 0.59 0.03 0.16 0.00 -2.06 0.00 0.00 59.70 58.42 1b3j h MET 75 Cb 1.25 0.11 -0.10 0.00 0.06 0.00 0.00 31.60 32.92 1b3j h MET 75 CO -0.79 -0.33 0.04 2.41 1.06 0.00 0.00 176.91 179.31 1b3j n THR 76 N -4.12 -0.23 0.23 2.22 -1.04 0.44 0.88 114.28 112.66 1b3j n THR 76 Ca -0.06 1.18 -0.10 0.00 -2.04 0.00 0.00 64.05 63.03 1b3j n THR 76 Cb 0.20 -1.74 -0.05 0.00 -1.82 0.00 0.00 70.33 66.92 1b3j n THR 76 CO 0.00 0.00 0.00 0.25 -0.64 0.00 0.00 175.07 174.68 1b3j h LEU 77 N 0.00 -0.54 -1.04 -4.42 6.46 -0.54 -3.08 115.31 112.15 1b3j h LEU 77 Ca 0.34 0.02 0.37 0.00 -0.12 0.00 0.00 57.88 58.49 1b3j h LEU 77 Cb 0.74 0.14 -0.11 0.00 -0.73 0.00 0.00 40.66 40.69 1b3j h LEU 77 CO -0.50 -0.17 0.66 0.00 -0.62 0.00 0.00 178.44 177.81 1b3j n ALA 78 N -2.66 1.04 -0.28 1.25 0.00 0.26 0.12 120.51 120.24 1b3j n ALA 78 Ca -0.08 0.70 -0.04 0.00 0.00 0.00 0.00 53.44 54.02 1b3j n ALA 78 Cb 0.25 -0.83 0.08 0.00 0.00 0.00 0.00 19.45 18.95 1b3j n ALA 78 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1b3j h HIS 79 N 0.00 0.95 -3.02 0.00 -0.00 -0.87 -3.44 115.15 108.76 1b3j h HIS 79 Ca 0.69 0.02 -0.56 0.00 -0.00 0.00 0.00 60.37 60.52 1b3j h HIS 79 Cb 2.16 -0.32 0.09 0.00 -0.00 0.00 0.00 27.41 29.35 1b3j h HIS 79 CO -0.01 0.57 0.68 -0.89 -0.00 0.00 0.00 177.93 178.28 1b3j n ILE 80 N -4.58 1.22 0.00 6.26 5.41 0.32 -4.99 119.36 123.00 1b3j n ILE 80 Ca 0.08 -0.30 0.00 0.00 1.00 0.00 0.00 62.75 63.53 1b3j n ILE 80 Cb 0.05 -1.65 0.00 0.00 -0.71 0.00 0.00 39.64 37.32 1b3j n ILE 80 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 176.55 176.84 1b3j n LYS 81 N 1.72 0.00 -0.00 0.38 5.02 -1.26 -4.50 118.16 119.51 1b3j n LYS 81 Ca 0.09 0.34 0.00 0.00 -2.02 0.00 0.00 58.31 56.72 1b3j n LYS 81 Cb 0.34 -0.91 0.00 0.00 -0.02 0.00 0.00 35.03 34.44 1b3j n LYS 81 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 1b3j n ASP 82 N -1.51 0.00 -4.56 4.39 5.75 -1.26 -4.79 116.55 114.57 1b3j n ASP 82 Ca 0.00 -1.66 -0.37 0.00 -0.01 0.00 0.00 54.79 52.75 1b3j n ASP 82 Cb 0.00 -0.17 -0.04 0.00 -1.03 0.00 0.00 41.12 39.89 1b3j n ASP 82 CO 0.00 0.00 0.00 -1.10 -0.11 0.00 0.00 177.20 175.99 1b3j s GLN 83 N 3.67 3.29 0.92 0.11 -1.52 -1.26 -4.96 119.66 119.91 1b3j s GLN 83 Ca 0.00 -0.92 -0.10 0.00 -1.95 0.00 0.00 55.36 52.39 1b3j s GLN 83 Cb 0.00 -5.28 0.13 0.00 -0.22 0.00 0.00 33.01 27.64 1b3j s GLN 83 CO 0.00 -2.58 1.04 1.63 -0.25 0.00 0.00 175.29 175.12 1b3j n LYS 84 N 8.85 -0.44 -1.69 2.91 5.02 -1.26 -4.41 118.16 127.14 1b3j n LYS 84 Ca 0.36 -0.06 -0.40 0.00 -2.02 0.00 0.00 58.31 56.19 1b3j n LYS 84 Cb 0.50 -2.30 0.03 0.00 -0.02 0.00 0.00 35.03 33.23 1b3j n LYS 84 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1b3j n GLU 85 N -3.87 1.64 0.00 1.97 1.02 -1.26 -4.56 120.64 115.58 1b3j n GLU 85 Ca 0.11 0.60 0.00 0.00 -0.02 0.00 0.00 57.16 57.85 1b3j n GLU 85 Cb 0.52 -2.38 0.00 0.00 -0.02 0.00 0.00 31.44 29.56 1b3j n GLU 85 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1b3j n GLY 86 N 0.90 0.17 3.69 0.62 0.00 -1.26 -4.88 105.19 104.42 1b3j n GLY 86 Ca 0.09 -2.30 -0.39 0.00 0.00 0.00 0.00 46.02 43.43 1b3j n GLY 86 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1b3j s LEU 87 N 0.00 4.20 0.13 0.99 0.20 -1.26 0.42 118.68 123.35 1b3j s LEU 87 Ca 0.00 0.71 0.03 0.00 0.69 0.00 0.00 54.13 55.57 1b3j s LEU 87 Cb 0.00 -2.69 -0.04 0.00 -0.43 0.00 0.00 46.19 43.03 1b3j s LEU 87 CO 0.00 -0.10 -0.08 -1.00 -0.29 0.00 0.00 176.35 174.88 1b3j s HIS 88 N 1.21 1.10 0.09 5.38 3.76 0.85 -4.97 115.29 122.71 1b3j s HIS 88 Ca 0.24 -0.84 0.03 0.00 -0.15 0.00 0.00 55.06 54.34 1b3j s HIS 88 Cb -0.15 -0.59 -0.04 0.00 1.11 0.00 0.00 32.58 32.91 1b3j s HIS 88 CO 0.10 -0.03 -0.08 -1.54 -0.85 0.00 0.00 174.74 172.33 1b3j s SER 89 N -3.11 1.22 -0.06 1.40 1.04 -1.26 0.12 113.70 113.04 1b3j s SER 89 Ca 0.15 -0.83 -0.00 0.00 0.48 0.00 0.00 55.95 55.74 1b3j s SER 89 Cb 0.04 0.04 0.03 0.00 0.10 0.00 0.00 66.02 66.23 1b3j s SER 89 CO -0.02 -0.32 -0.02 -0.22 0.98 0.00 0.00 173.24 173.64 1b3j s LEU 90 N -2.49 0.88 0.07 2.42 2.96 0.93 -0.50 118.68 122.95 1b3j s LEU 90 Ca 0.05 -0.11 0.08 0.00 -0.22 0.00 0.00 54.13 53.93 1b3j s LEU 90 Cb -0.01 -0.46 -0.03 0.00 0.50 0.00 0.00 46.19 46.19 1b3j s LEU 90 CO -0.02 -0.14 -0.21 -1.10 -1.32 0.00 0.00 176.35 173.56 1b3j s GLN 91 N 1.59 1.86 -0.23 1.98 -0.21 -0.19 -0.97 119.66 123.49 1b3j s GLN 91 Ca -0.01 -1.10 -0.00 0.00 0.02 0.00 0.00 55.36 54.27 1b3j s GLN 91 Cb -0.13 -2.09 0.06 0.00 1.00 0.00 0.00 33.01 31.86 1b3j s GLN 91 CO -0.04 0.51 -0.02 -2.00 -2.12 0.00 0.00 175.29 171.62 1b3j s GLU 92 N -1.63 1.32 -0.34 2.91 2.12 -0.24 -0.36 118.70 122.48 1b3j s GLU 92 Ca 0.15 -0.89 -0.10 0.00 0.36 0.00 0.00 54.97 54.49 1b3j s GLU 92 Cb -0.10 -2.45 0.01 0.00 0.26 0.00 0.00 34.13 31.85 1b3j s GLU 92 CO 0.06 -0.65 0.16 0.42 -0.54 0.00 0.00 175.26 174.71 1b3j s ILE 93 N 1.51 4.44 -0.23 -3.70 1.01 0.11 -1.80 121.20 122.54 1b3j s ILE 93 Ca -0.03 -0.70 -0.14 0.00 0.00 0.00 0.00 60.65 59.78 1b3j s ILE 93 Cb -0.18 -3.38 -0.04 0.00 0.01 0.00 0.00 42.46 38.87 1b3j s ILE 93 CO -0.08 -0.08 0.33 -0.13 0.00 0.00 0.00 174.94 174.98 1b3j s ARG 94 N 1.56 4.11 0.27 2.79 0.52 -0.57 -0.14 118.95 127.48 1b3j s ARG 94 Ca 0.03 0.03 0.11 0.00 -0.52 0.00 0.00 55.73 55.39 1b3j s ARG 94 Cb -0.18 -3.56 -0.05 0.00 0.52 0.00 0.00 34.95 31.67 1b3j s ARG 94 CO 0.06 -0.06 -0.19 0.08 0.02 0.00 0.00 175.30 175.20 1b3j s VAL 95 N 1.41 2.38 -0.29 3.52 1.01 -0.38 -1.49 120.40 126.56 1b3j s VAL 95 Ca 0.15 -2.38 -0.16 0.00 0.00 0.00 0.00 61.98 59.59 1b3j s VAL 95 Cb -0.15 -2.27 0.17 0.00 0.00 0.00 0.00 36.38 34.13 1b3j s VAL 95 CO 0.07 -0.43 1.07 0.00 0.00 0.00 0.00 175.10 175.82 1b3j s GLU 97 N 1.36 1.27 -0.29 0.00 2.02 0.01 -0.81 118.70 122.25 1b3j s GLU 97 Ca -0.08 -1.51 0.03 0.00 0.02 0.00 0.00 54.97 53.42 1b3j s GLU 97 Cb -0.03 -1.10 0.08 0.00 0.10 0.00 0.00 34.13 33.17 1b3j s GLU 97 CO -0.14 0.19 -0.01 0.42 0.02 0.00 0.00 175.26 175.74 1b3j s ILE 98 N -2.74 1.98 0.90 -1.63 1.01 0.19 -2.55 121.20 118.35 1b3j s ILE 98 Ca 0.19 -1.84 -0.12 0.00 0.00 0.00 0.00 60.65 58.88 1b3j s ILE 98 Cb -0.02 -2.31 0.13 0.00 0.01 0.00 0.00 42.46 40.27 1b3j s ILE 98 CO 0.06 -0.35 1.13 -1.00 0.00 0.00 0.00 174.94 174.79 1b3j s HIS 99 N 1.12 2.55 0.28 3.97 3.76 -0.46 -1.78 115.29 124.73 1b3j s HIS 99 Ca 0.02 0.89 0.02 0.00 -0.15 0.00 0.00 55.06 55.84 1b3j s HIS 99 Cb -0.19 -3.35 0.57 0.00 1.11 0.00 0.00 32.58 30.72 1b3j s HIS 99 CO -0.08 -2.30 1.82 0.93 -0.85 0.00 0.00 174.74 174.26 1b3j h GLU 100 N -1.45 0.91 -0.20 1.40 4.39 -1.87 0.16 114.58 117.92 1b3j h GLU 100 Ca -0.50 -0.05 0.06 0.00 0.34 0.00 0.00 59.36 59.20 1b3j h GLU 100 Cb 1.32 -0.21 -0.01 0.00 -0.10 0.00 0.00 28.75 29.76 1b3j h GLU 100 CO 0.62 0.60 0.79 -0.44 -1.16 0.00 0.00 179.01 179.42 1b3j h ASP 101 N 0.94 0.00 0.00 1.42 3.32 -1.99 -3.42 116.42 116.69 1b3j h ASP 101 Ca 0.51 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.56 1b3j h ASP 101 Cb 0.55 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.10 1b3j h ASP 101 CO -0.29 0.00 0.00 0.59 -1.72 0.00 0.00 179.24 177.82 1b3j n ASN 102 N -2.84 -0.12 -4.85 6.45 3.02 0.56 -4.99 115.26 112.50 1b3j n ASN 102 Ca 0.04 0.00 -0.31 0.00 -0.03 0.00 0.00 54.58 54.27 1b3j n ASN 102 Cb 0.87 -0.14 0.00 0.00 -0.61 0.00 0.00 39.78 39.90 1b3j n ASN 102 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 1b3j s SER 103 N -2.92 6.16 0.36 6.41 1.04 -1.25 -4.83 113.70 118.68 1b3j s SER 103 Ca 0.00 1.52 0.09 0.00 0.48 0.00 0.00 55.95 58.04 1b3j s SER 103 Cb 0.00 -2.49 -0.06 0.00 0.10 0.00 0.00 66.02 63.57 1b3j s SER 103 CO 0.00 -0.91 -0.03 0.42 0.98 0.00 0.00 173.24 173.70 1b3j s THR 104 N -2.95 2.32 -0.25 2.02 -4.23 -1.26 -1.35 115.64 109.94 1b3j s THR 104 Ca 0.57 -2.07 -0.15 0.00 -1.18 0.00 0.00 61.69 58.86 1b3j s THR 104 Cb -0.12 -2.77 0.07 0.00 1.34 0.00 0.00 72.50 71.02 1b3j s THR 104 CO 0.47 -0.15 0.62 -0.13 -0.54 0.00 0.00 174.62 174.88 1b3j s ARG 105 N -3.68 0.65 -0.15 3.99 0.52 -1.06 -4.97 118.95 114.26 1b3j s ARG 105 Ca 0.34 1.09 -0.05 0.00 -0.52 0.00 0.00 55.73 56.59 1b3j s ARG 105 Cb 0.03 0.14 0.07 0.00 0.52 0.00 0.00 34.95 35.71 1b3j s ARG 105 CO 0.18 -0.14 0.29 0.45 0.02 0.00 0.00 175.30 176.10 1b3j s SER 106 N 1.40 0.27 0.23 0.23 0.15 -1.26 -0.81 113.70 113.91 1b3j s SER 106 Ca -0.08 0.63 0.01 0.00 0.70 0.00 0.00 55.95 57.21 1b3j s SER 106 Cb -0.06 0.82 -0.00 0.00 -1.71 0.00 0.00 66.02 65.07 1b3j s SER 106 CO -0.15 -0.24 0.03 -1.54 1.20 0.00 0.00 173.24 172.54 1b3j n SER 107 N 5.36 1.98 -3.64 5.45 3.41 0.19 -0.66 113.62 125.71 1b3j n SER 107 Ca -0.06 -2.10 -0.09 0.00 -0.26 0.00 0.00 58.87 56.36 1b3j n SER 107 Cb 0.50 0.33 -0.07 0.00 -0.26 0.00 0.00 64.21 64.70 1b3j n SER 107 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 175.04 173.30 1b3j s GLN 108 N -2.85 0.73 0.00 4.33 0.74 -0.68 -1.25 119.66 120.68 1b3j s GLN 108 Ca 0.05 1.18 0.06 0.00 0.05 0.00 0.00 55.36 56.70 1b3j s GLN 108 Cb 0.00 0.19 -0.02 0.00 1.10 0.00 0.00 33.01 34.29 1b3j s GLN 108 CO 0.03 -0.14 -0.20 -1.01 -0.55 0.00 0.00 175.29 173.42 1b3j s HIS 109 N 1.37 1.76 -0.08 1.67 3.76 0.80 -1.28 115.29 123.29 1b3j s HIS 109 Ca -0.08 -0.34 0.02 0.00 -0.15 0.00 0.00 55.06 54.51 1b3j s HIS 109 Cb -0.05 -1.11 -0.02 0.00 1.11 0.00 0.00 32.58 32.51 1b3j s HIS 109 CO -0.15 0.01 -0.14 -0.06 -0.85 0.00 0.00 174.74 173.54 1b3j s PHE 110 N -0.57 2.75 0.01 1.40 0.08 0.10 0.09 117.98 121.85 1b3j s PHE 110 Ca 0.07 -0.34 0.04 0.00 0.12 0.00 0.00 56.93 56.82 1b3j s PHE 110 Cb -0.08 -1.71 -0.01 0.00 -0.57 0.00 0.00 43.02 40.64 1b3j s PHE 110 CO 0.00 0.04 -0.11 0.71 -0.10 0.00 0.00 175.22 175.76 1b3j s TYR 111 N -0.32 0.97 -0.26 0.36 1.51 0.52 -1.53 117.35 118.60 1b3j s TYR 111 Ca 0.03 -0.25 -0.04 0.00 -1.01 0.00 0.00 57.07 55.81 1b3j s TYR 111 Cb -0.13 -0.61 0.02 0.00 -0.11 0.00 0.00 41.96 41.14 1b3j s TYR 111 CO 0.03 -0.01 -0.01 -0.47 -1.11 0.00 0.00 175.55 173.98 1b3j s TYR 112 N -0.50 3.10 -1.47 2.71 5.04 0.74 -1.03 117.35 125.95 1b3j s TYR 112 Ca 0.02 -1.33 -0.06 0.00 -2.44 0.00 0.00 57.07 53.26 1b3j s TYR 112 Cb -0.05 -2.13 0.02 0.00 0.35 0.00 0.00 41.96 40.15 1b3j s TYR 112 CO 0.00 -0.67 0.52 -0.25 -1.34 0.00 0.00 175.55 173.81 1b3j n ASP 113 N 4.74 -5.31 0.00 4.32 8.00 0.35 -1.31 116.55 127.34 1b3j n ASP 113 Ca -0.16 -0.28 0.00 0.00 0.71 0.00 0.00 54.79 55.06 1b3j n ASP 113 Cb 0.47 -4.32 0.00 0.00 -0.02 0.00 0.00 41.12 37.25 1b3j n ASP 113 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1b3j n GLY 114 N -1.37 2.97 3.68 0.44 0.00 -1.26 -4.99 105.19 104.67 1b3j n GLY 114 Ca -0.09 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.51 1b3j n GLY 114 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1b3j s GLU 115 N -0.69 4.37 0.07 1.61 2.02 -0.43 -4.95 118.70 120.70 1b3j s GLU 115 Ca 0.00 1.11 -0.31 0.00 0.02 0.00 0.00 54.97 55.80 1b3j s GLU 115 Cb 0.00 -3.54 -0.06 0.00 0.10 0.00 0.00 34.13 30.63 1b3j s GLU 115 CO 0.00 -0.24 1.31 -1.17 0.02 0.00 0.00 175.26 175.18 1b3j s LEU 116 N 1.81 4.36 0.00 1.80 2.96 -1.26 -0.18 118.68 128.16 1b3j s LEU 116 Ca 0.42 2.15 0.00 0.00 -0.22 0.00 0.00 54.13 56.48 1b3j s LEU 116 Cb -0.17 -3.58 0.00 0.00 0.50 0.00 0.00 46.19 42.94 1b3j s LEU 116 CO 0.16 -0.59 0.00 2.22 -1.32 0.00 0.00 176.35 176.82 1b3j n PHE 117 N 4.20 0.00 -3.64 5.38 -1.74 -0.58 -4.73 117.46 116.35 1b3j n PHE 117 Ca 0.11 0.00 -0.08 0.00 -0.56 0.00 0.00 57.45 56.92 1b3j n PHE 117 Cb 0.44 0.00 -0.07 0.00 1.52 0.00 0.00 39.48 41.37 1b3j n PHE 117 CO 0.00 0.00 0.00 -1.17 -0.56 0.00 0.00 176.76 175.03 1b3j s LEU 118 N -1.31 -0.72 0.09 5.98 2.96 -1.20 -4.60 118.68 119.88 1b3j s LEU 118 Ca 0.00 1.22 0.00 0.00 -0.22 0.00 0.00 54.13 55.13 1b3j s LEU 118 Cb 0.00 2.16 -0.04 0.00 0.50 0.00 0.00 46.19 48.81 1b3j s LEU 118 CO 0.00 -0.20 -0.02 -0.44 -1.32 0.00 0.00 176.35 174.37 1b3j s SER 119 N 1.08 0.70 -0.13 3.68 0.01 -0.33 0.01 113.70 118.73 1b3j s SER 119 Ca -0.06 -1.06 -0.17 0.00 1.31 0.00 0.00 55.95 55.97 1b3j s SER 119 Cb -0.05 0.18 0.04 0.00 0.21 0.00 0.00 66.02 66.41 1b3j s SER 119 CO -0.12 -0.59 0.46 0.00 0.41 0.00 0.00 173.24 173.40 1b3j s GLN 120 N -3.92 0.62 -0.91 12.44 -2.07 -0.41 0.04 119.66 125.45 1b3j s GLN 120 Ca 0.14 0.44 -0.22 0.00 -1.82 0.00 0.00 55.36 53.89 1b3j s GLN 120 Cb 0.07 0.30 0.08 0.00 -1.09 0.00 0.00 33.01 32.36 1b3j s GLN 120 CO -0.05 -0.12 1.26 1.21 -1.32 0.00 0.00 175.29 176.28 1b3j s ASN 121 N -0.22 6.46 0.47 12.60 3.04 -0.43 -1.69 114.94 135.16 1b3j s ASN 121 Ca -0.04 -1.46 0.31 0.00 0.04 0.00 0.00 52.86 51.70 1b3j s ASN 121 Cb -0.03 -2.49 1.40 0.00 -1.54 0.00 0.00 41.25 38.58 1b3j s ASN 121 CO 0.02 -1.40 1.71 -0.07 -3.04 0.00 0.00 177.10 174.33 1b3j h LEU 122 N 11.87 0.21 0.22 3.21 3.38 -1.19 3.82 115.31 136.83 1b3j h LEU 122 Ca 0.06 0.07 -0.01 0.00 0.09 0.00 0.00 57.88 58.09 1b3j h LEU 122 Cb 1.03 0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.82 1b3j h LEU 122 CO 1.27 -0.03 -0.11 -0.08 0.09 0.00 0.00 178.44 179.59 1b3j h GLU 123 N 0.15 -0.29 -0.01 1.13 4.81 -1.88 -3.31 114.58 115.18 1b3j h GLU 123 Ca 0.70 0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.95 1b3j h GLU 123 Cb 2.31 0.06 0.00 0.00 0.63 0.00 0.00 28.75 31.75 1b3j h GLU 123 CO -0.23 0.09 -0.48 0.25 -0.73 0.00 0.00 179.01 177.91 1b3j n THR 124 N -5.02 0.00 -3.69 0.32 -2.24 -0.65 -4.99 114.28 98.02 1b3j n THR 124 Ca -0.09 -0.16 -0.26 0.00 -2.27 0.00 0.00 64.05 61.27 1b3j n THR 124 Cb 0.26 0.87 0.05 0.00 -2.10 0.00 0.00 70.33 69.41 1b3j n THR 124 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1b3j n LYS 125 N -0.53 -6.77 -3.38 -0.78 4.76 1.25 -4.97 118.16 107.74 1b3j n LYS 125 Ca 0.09 0.74 -0.38 0.00 -2.87 0.00 0.00 58.31 55.89 1b3j n LYS 125 Cb 0.40 -5.71 -0.07 0.00 -1.84 0.00 0.00 35.03 27.81 1b3j n LYS 125 CO 0.00 0.00 0.00 -2.00 -1.37 0.00 0.00 177.40 174.03 1b3j s GLU 126 N -6.40 4.20 0.35 1.97 2.12 -1.21 -4.80 118.70 114.93 1b3j s GLU 126 Ca 0.60 0.23 -0.13 0.00 0.36 0.00 0.00 54.97 56.03 1b3j s GLU 126 Cb -0.28 -3.52 -0.08 0.00 0.26 0.00 0.00 34.13 30.51 1b3j s GLU 126 CO 0.74 -0.01 0.75 -1.58 -0.54 0.00 0.00 175.26 174.62 1b3j s TRP 127 N 1.20 3.41 -0.24 5.30 0.52 -1.26 -1.31 118.94 126.57 1b3j s TRP 127 Ca 0.20 1.14 -0.17 0.00 0.02 0.00 0.00 56.10 57.29 1b3j s TRP 127 Cb -0.15 -2.49 0.07 0.00 -1.15 0.00 0.00 33.47 29.75 1b3j s TRP 127 CO 0.08 0.01 0.60 0.95 0.02 0.00 0.00 176.95 178.61 1b3j s THR 128 N -2.14 -0.01 -0.12 2.01 -4.23 0.11 -4.95 115.64 106.32 1b3j s THR 128 Ca 0.53 0.02 -0.03 0.00 -1.18 0.00 0.00 61.69 61.02 1b3j s THR 128 Cb -0.10 -0.86 -0.03 0.00 1.34 0.00 0.00 72.50 72.85 1b3j s THR 128 CO 0.23 0.01 0.01 -0.04 -0.54 0.00 0.00 174.62 174.29 1b3j s MET 129 N 1.04 3.29 0.00 3.99 -1.94 -1.26 -1.19 119.30 123.23 1b3j s MET 129 Ca -0.06 -0.40 0.00 0.00 -1.71 0.00 0.00 55.69 53.52 1b3j s MET 129 Cb -0.05 -2.90 0.00 0.00 2.01 0.00 0.00 34.83 33.88 1b3j s MET 129 CO -0.10 0.56 0.00 -2.30 -0.01 0.00 0.00 175.02 173.17 1b3j n PRO 130 N 2.60 1.67 0.00 2.03 -0.02 -1.26 -4.86 135.00 135.16 1b3j n PRO 130 Ca -0.18 0.00 0.14 0.00 -2.02 0.00 0.00 63.50 61.43 1b3j n PRO 130 Cb 0.53 0.00 0.76 0.00 -0.02 0.00 0.00 33.50 34.77 1b3j n PRO 130 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1b3j n GLN 131 N 0.00 0.65 -3.70 -0.52 0.00 -1.26 -4.83 117.38 107.72 1b3j n GLN 131 Ca 0.00 0.02 -0.23 0.00 0.00 0.00 0.00 57.00 56.78 1b3j n GLN 131 Cb 0.00 -1.50 -0.02 0.00 0.00 0.00 0.00 30.24 28.72 1b3j n GLN 131 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.06 175.52 1b3j s SER 132 N -2.25 4.82 -0.30 2.61 1.04 -1.26 -5.14 113.70 113.22 1b3j s SER 132 Ca 0.35 -0.99 -0.08 0.00 0.48 0.00 0.00 55.95 55.70 1b3j s SER 132 Cb 0.19 -0.07 0.16 0.00 0.10 0.00 0.00 66.02 66.39 1b3j s SER 132 CO 0.36 -0.89 0.72 -0.44 0.98 0.00 0.00 173.24 173.96 1b3j s SER 133 N -4.22 -1.09 0.00 7.02 0.01 -1.26 -4.84 113.70 109.31 1b3j s SER 133 Ca 0.43 1.10 0.00 0.00 1.31 0.00 0.00 55.95 58.78 1b3j s SER 133 Cb -0.02 2.08 0.00 0.00 0.21 0.00 0.00 66.02 68.29 1b3j s SER 133 CO 0.26 -0.21 0.00 0.54 0.41 0.00 0.00 173.24 174.24 1b3j n ARG 134 N 5.38 0.00 0.00 12.44 1.74 -1.26 -4.84 116.66 130.11 1b3j n ARG 134 Ca -0.07 0.00 0.13 0.00 -0.77 0.00 0.00 57.85 57.14 1b3j n ARG 134 Cb 0.51 0.00 0.44 0.00 -1.02 0.00 0.00 32.46 32.39 1b3j n ARG 134 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1b3j n ALA 135 N 0.00 3.03 0.02 7.54 0.00 -1.26 -3.94 120.51 125.91 1b3j n ALA 135 Ca 0.00 -0.31 -0.13 0.00 0.00 0.00 0.00 53.44 53.00 1b3j n ALA 135 Cb 0.00 -1.23 -0.06 0.00 0.00 0.00 0.00 19.45 18.16 1b3j n ALA 135 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 1b3j h GLN 136 N 0.54 -0.50 -0.43 0.00 4.20 -1.88 0.50 115.11 117.54 1b3j h GLN 136 Ca 0.00 0.03 0.09 0.00 0.06 0.00 0.00 58.65 58.83 1b3j h GLN 136 Cb 0.46 0.11 -0.08 0.00 0.30 0.00 0.00 27.48 28.27 1b3j h GLN 136 CO 0.00 -0.33 -0.10 1.79 -0.67 0.00 0.00 178.83 179.52 1b3j h THR 137 N -0.52 0.58 -0.09 -0.54 1.35 -1.99 1.06 112.91 112.76 1b3j h THR 137 Ca 0.07 -0.00 0.04 0.00 -0.55 0.00 0.00 66.41 65.96 1b3j h THR 137 Cb 0.63 0.57 -0.05 0.00 -1.73 0.00 0.00 68.15 67.57 1b3j h THR 137 CO -0.36 0.00 -0.22 0.25 -0.25 0.00 0.00 175.52 174.94 1b3j h LEU 138 N 0.01 -0.68 -0.49 3.87 6.46 -1.47 0.65 115.31 123.66 1b3j h LEU 138 Ca 0.21 0.11 0.10 0.00 -0.12 0.00 0.00 57.88 58.17 1b3j h LEU 138 Cb 0.31 0.30 -0.08 0.00 -0.73 0.00 0.00 40.66 40.46 1b3j h LEU 138 CO -0.43 -0.28 -0.01 0.00 -0.62 0.00 0.00 178.44 177.10 1b3j h ALA 139 N 0.64 0.45 0.34 1.25 0.00 0.17 0.12 119.26 122.22 1b3j h ALA 139 Ca 0.09 0.15 -0.01 0.00 0.00 0.00 0.00 54.91 55.14 1b3j h ALA 139 Cb 0.43 0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.48 1b3j h ALA 139 CO -0.27 -0.39 -0.21 1.98 0.00 0.00 0.00 179.25 180.36 1b3j h MET 140 N 0.10 -0.51 0.00 0.00 4.05 0.22 0.32 114.93 119.11 1b3j h MET 140 Ca 0.25 0.03 0.00 0.00 -0.28 0.00 0.00 59.70 59.70 1b3j h MET 140 Cb 0.37 0.12 0.00 0.00 -0.80 0.00 0.00 31.60 31.29 1b3j h MET 140 CO -0.42 -0.34 0.00 0.09 0.23 0.00 0.00 176.91 176.47 1b3j n ASN 141 N -5.34 0.00 0.04 1.39 5.03 0.22 -0.33 115.26 116.27 1b3j n ASN 141 Ca -0.10 0.97 -0.14 0.00 0.87 0.00 0.00 54.58 56.17 1b3j n ASN 141 Cb 0.24 -0.47 -0.08 0.00 -1.02 0.00 0.00 39.78 38.46 1b3j n ASN 141 CO 0.00 0.00 0.00 0.58 -1.83 0.00 0.00 177.26 176.01 1b3j h VAL 142 N 0.00 0.08 -0.35 2.41 2.07 -0.93 -2.14 116.25 117.39 1b3j h VAL 142 Ca 0.00 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.55 1b3j h VAL 142 Cb 0.00 0.08 -0.04 0.00 -1.52 0.00 0.00 31.29 29.81 1b3j h VAL 142 CO 0.00 0.00 -0.23 0.03 0.02 0.00 0.00 177.57 177.39 1b3j h ARG 143 N -0.60 -0.03 -0.31 1.57 3.08 0.31 -0.39 114.38 118.01 1b3j h ARG 143 Ca 0.04 0.00 0.04 0.00 0.07 0.00 0.00 59.98 60.13 1b3j h ARG 143 Cb 0.68 0.01 -0.06 0.00 0.08 0.00 0.00 29.97 30.68 1b3j h ARG 143 CO -0.36 -0.02 -0.42 -0.91 -1.07 0.00 0.00 179.97 177.19 1b3j h ASN 144 N -0.03 -1.40 -0.61 7.04 2.35 -0.43 -1.21 115.58 121.29 1b3j h ASN 144 Ca 0.06 0.18 0.10 0.00 -0.55 0.00 0.00 56.30 56.09 1b3j h ASN 144 Cb 0.18 0.57 -0.11 0.00 0.05 0.00 0.00 38.32 39.01 1b3j h ASN 144 CO -0.34 -0.30 -0.40 0.15 -1.65 0.00 0.00 177.43 174.89 1b3j h PHE 145 N -0.29 -1.14 -0.77 1.19 3.57 -0.93 0.62 116.94 119.19 1b3j h PHE 145 Ca 0.06 0.08 0.14 0.00 3.53 0.00 0.00 57.97 61.78 1b3j h PHE 145 Cb 0.44 0.59 -0.14 0.00 2.79 0.00 0.00 35.95 39.62 1b3j h PHE 145 CO -0.70 -0.41 -0.26 -0.07 -2.23 0.00 0.00 178.31 174.64 1b3j h LEU 146 N -0.19 -0.93 0.66 0.59 3.38 -0.15 0.10 115.31 118.77 1b3j h LEU 146 Ca 0.21 0.24 -0.03 0.00 0.09 0.00 0.00 57.88 58.39 1b3j h LEU 146 Cb 0.56 0.55 -0.00 0.00 0.09 0.00 0.00 40.66 41.85 1b3j h LEU 146 CO -0.70 -0.28 -0.40 0.11 0.09 0.00 0.00 178.44 177.26 1b3j h LYS 147 N -0.04 -0.96 -0.45 1.13 1.57 0.12 -3.05 116.57 114.88 1b3j h LYS 147 Ca 0.34 0.07 0.04 0.00 -1.87 0.00 0.00 60.65 59.22 1b3j h LYS 147 Cb 0.58 0.22 -0.05 0.00 0.08 0.00 0.00 32.23 33.05 1b3j h LYS 147 CO -0.80 -0.64 -0.27 -0.85 -0.57 0.00 0.00 179.45 176.32 1b3j n GLU 148 N -4.94 -0.20 0.13 3.15 0.00 0.11 0.16 120.64 119.05 1b3j n GLU 148 Ca -0.12 0.91 0.19 0.00 0.00 0.00 0.00 57.16 58.13 1b3j n GLU 148 Cb 0.41 -1.34 0.66 0.00 0.00 0.00 0.00 31.44 31.17 1b3j n GLU 148 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.13 177.51 1b3j h ASP 149 N 0.00 0.00 0.23 -1.84 -0.00 -0.96 0.96 116.42 114.82 1b3j h ASP 149 Ca 0.07 0.00 -0.12 0.00 -0.00 0.00 0.00 57.03 56.99 1b3j h ASP 149 Cb 0.18 0.00 -0.01 0.00 -0.00 0.00 0.00 39.33 39.50 1b3j h ASP 149 CO -0.42 0.00 -0.45 0.00 -0.00 0.00 0.00 179.24 178.37 1b3j h ALA 150 N 1.19 1.04 0.00 4.15 0.00 0.16 -3.52 119.26 122.27 1b3j h ALA 150 Ca 0.17 -0.44 0.00 0.00 0.00 0.00 0.00 54.91 54.64 1b3j h ALA 150 Cb 1.32 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.02 1b3j h ALA 150 CO -0.00 0.62 0.00 0.00 0.00 0.00 0.00 179.25 179.87 1b3j n MET 151 N -4.00 0.43 0.00 0.00 0.00 0.33 -5.14 117.12 108.75 1b3j n MET 151 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.68 1b3j n MET 151 Cb 0.51 -1.29 0.00 0.00 0.00 0.00 0.00 33.22 32.44 1b3j n MET 151 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1b3j n ALA 162 N 1.28 0.00 0.11 3.17 0.00 -1.26 -5.02 120.51 118.80 1b3j n ALA 162 Ca 0.00 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.53 1b3j n ALA 162 Cb 0.21 0.00 0.57 0.00 0.00 0.00 0.00 19.45 20.23 1b3j n ALA 162 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1b3j h ASP 163 N 0.00 0.18 0.30 0.00 3.32 -2.04 0.35 116.42 118.53 1b3j h ASP 163 Ca 0.00 -0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.03 1b3j h ASP 163 Cb 0.00 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 39.51 1b3j h ASP 163 CO 0.00 0.13 -0.14 0.00 -1.72 0.00 0.00 179.24 177.50 1b3j h LEU 165 N -0.57 0.73 -0.50 0.00 3.38 -1.92 0.79 115.31 117.23 1b3j h LEU 165 Ca -0.04 0.07 0.07 0.00 0.09 0.00 0.00 57.88 58.07 1b3j h LEU 165 Cb 0.31 -0.06 -0.09 0.00 0.09 0.00 0.00 40.66 40.90 1b3j h LEU 165 CO 0.07 0.34 -0.50 -0.61 0.09 0.00 0.00 178.44 177.83 1b3j h GLN 166 N 0.79 -0.30 0.38 1.13 5.75 -0.29 0.68 115.11 123.25 1b3j h GLN 166 Ca 0.49 0.02 -0.01 0.00 -0.15 0.00 0.00 58.65 59.00 1b3j h GLN 166 Cb 0.63 0.07 -0.00 0.00 1.07 0.00 0.00 27.48 29.24 1b3j h GLN 166 CO -0.32 -0.20 -0.22 0.93 -2.65 0.00 0.00 178.83 176.37 1b3j h GLU 167 N -0.31 -0.55 -0.12 1.69 4.39 0.11 -0.24 114.58 119.56 1b3j h GLU 167 Ca 0.12 0.04 0.03 0.00 0.34 0.00 0.00 59.36 59.89 1b3j h GLU 167 Cb 0.57 0.12 -0.06 0.00 -0.10 0.00 0.00 28.75 29.28 1b3j h GLU 167 CO -0.65 -0.36 -0.53 1.25 -1.16 0.00 0.00 179.01 177.56 1b3j h LEU 168 N -0.57 -1.68 -0.70 1.33 6.46 0.14 0.89 115.31 121.19 1b3j h LEU 168 Ca -0.04 0.20 0.12 0.00 -0.12 0.00 0.00 57.88 58.03 1b3j h LEU 168 Cb 0.46 0.66 -0.12 0.00 -0.73 0.00 0.00 40.66 40.92 1b3j h LEU 168 CO 0.05 -0.48 -0.36 0.03 -0.62 0.00 0.00 178.44 177.06 1b3j h ARG 169 N -0.58 -0.12 0.00 1.25 3.08 0.46 0.28 114.38 118.74 1b3j h ARG 169 Ca 0.04 0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.09 1b3j h ARG 169 Cb 0.68 0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.76 1b3j h ARG 169 CO -0.43 -0.08 0.00 -2.13 -1.07 0.00 0.00 179.97 176.26 1b3j n ARG 170 N -5.44 0.00 -0.26 0.04 0.63 0.13 -0.42 116.66 111.34 1b3j n ARG 170 Ca 0.05 0.47 0.09 0.00 -0.92 0.00 0.00 57.85 57.54 1b3j n ARG 170 Cb 0.36 -1.07 0.18 0.00 0.45 0.00 0.00 32.46 32.38 1b3j n ARG 170 CO 0.00 0.00 0.00 0.66 -2.51 0.00 0.00 177.63 175.78 1b3j n TYR 171 N -1.18 0.40 0.00 -0.14 4.01 -0.16 0.03 117.16 120.12 1b3j n TYR 171 Ca 0.00 0.89 0.00 0.00 -0.16 0.00 0.00 57.90 58.63 1b3j n TYR 171 Cb 0.00 -1.01 0.00 0.00 -0.31 0.00 0.00 39.34 38.02 1b3j n TYR 171 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 1b3j n LEU 172 N -5.09 0.00 0.21 7.72 4.77 0.04 -0.72 117.00 123.92 1b3j n LEU 172 Ca 0.15 0.98 0.17 0.00 -0.03 0.00 0.00 56.01 57.29 1b3j n LEU 172 Cb 0.50 -0.48 0.84 0.00 -2.33 0.00 0.00 43.42 41.94 1b3j n LEU 172 CO -0.07 -0.48 1.15 0.11 -1.33 0.00 0.00 177.39 176.77 1b3j h LYS 173 N 0.00 0.00 -0.05 3.23 1.57 0.21 -0.69 116.57 120.84 1b3j h LYS 173 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1b3j h LYS 173 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 1b3j h LYS 173 CO 0.00 0.00 0.00 -1.13 -0.57 0.00 0.00 179.45 177.75 1b3j n SER 174 N -3.75 1.16 0.00 0.86 3.41 0.10 -4.92 113.62 110.48 1b3j n SER 174 Ca 0.02 -1.47 0.00 0.00 -0.26 0.00 0.00 58.87 57.16 1b3j n SER 174 Cb 0.33 -0.03 0.00 0.00 -0.26 0.00 0.00 64.21 64.25 1b3j n SER 174 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1b3j n GLY 175 N 1.10 0.81 0.34 5.00 0.00 -0.27 -4.90 105.19 107.27 1b3j n GLY 175 Ca 0.19 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.34 1b3j n GLY 175 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1b3j h VAL 176 N 0.00 0.88 -3.33 1.61 2.07 -1.09 -3.38 116.25 113.01 1b3j h VAL 176 Ca 0.00 -0.07 -0.66 0.00 0.82 0.00 0.00 66.70 66.79 1b3j h VAL 176 Cb 0.00 0.65 -0.33 0.00 -1.52 0.00 0.00 31.29 30.08 1b3j h VAL 176 CO 0.00 0.04 -0.87 -0.69 0.02 0.00 0.00 177.57 176.07 1b3j s VAL 177 N -5.22 1.92 -0.95 2.57 1.01 -1.23 -4.52 120.40 113.98 1b3j s VAL 177 Ca -0.06 -0.93 -0.24 0.00 0.00 0.00 0.00 61.98 60.75 1b3j s VAL 177 Cb 0.19 -1.68 0.05 0.00 0.00 0.00 0.00 36.38 34.94 1b3j s VAL 177 CO 0.73 0.53 1.39 -0.76 0.00 0.00 0.00 175.10 176.99 1b3j s LEU 178 N 0.48 3.53 0.26 3.92 1.43 -1.26 -4.84 118.68 122.19 1b3j s LEU 178 Ca -0.16 -1.28 -0.30 0.00 -1.03 0.00 0.00 54.13 51.36 1b3j s LEU 178 Cb -0.17 -2.56 -0.14 0.00 0.03 0.00 0.00 46.19 43.36 1b3j s LEU 178 CO 0.06 -1.55 1.30 0.54 0.23 0.00 0.00 176.35 176.94 1b3j n ARG 179 N 8.84 1.86 -2.87 1.70 5.12 -1.26 -4.92 116.66 125.12 1b3j n ARG 179 Ca 0.26 0.66 -0.24 0.00 -1.93 0.00 0.00 57.85 56.59 1b3j n ARG 179 Cb 0.50 -2.24 -0.03 0.00 -1.16 0.00 0.00 32.46 29.54 1b3j n ARG 179 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 1b3j n ARG 180 N 1.53 2.78 -3.65 5.56 1.74 -1.26 -5.01 116.66 118.35 1b3j n ARG 180 Ca 0.10 -4.45 -0.08 0.00 -0.77 0.00 0.00 57.85 52.65 1b3j n ARG 180 Cb 0.32 -2.09 -0.08 0.00 -1.02 0.00 0.00 32.46 29.58 1b3j n ARG 180 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 1b3j s THR 181 N -4.27 -0.03 -0.11 0.55 2.01 -1.26 -4.53 115.64 108.00 1b3j s THR 181 Ca 0.46 0.02 0.00 0.00 0.31 0.00 0.00 61.69 62.48 1b3j s THR 181 Cb 0.33 -0.92 0.02 0.00 0.01 0.00 0.00 72.50 71.94 1b3j s THR 181 CO -0.13 0.01 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.02 1b3j s VAL 182 N 1.62 1.18 0.50 3.82 1.01 0.35 -4.93 120.40 123.95 1b3j s VAL 182 Ca -0.10 -0.40 -0.22 0.00 0.00 0.00 0.00 61.98 61.26 1b3j s VAL 182 Cb -0.06 -1.15 -0.06 0.00 0.00 0.00 0.00 36.38 35.11 1b3j s VAL 182 CO -0.18 0.39 1.24 -2.16 0.00 0.00 0.00 175.10 174.39 1b3j s PRO 183 N 1.49 3.46 0.65 2.72 0.04 -1.26 -0.84 135.00 141.25 1b3j s PRO 183 Ca 0.02 1.95 -0.08 0.00 0.04 0.00 0.00 61.00 62.93 1b3j s PRO 183 Cb -0.13 -2.31 0.02 0.00 0.04 0.00 0.00 34.50 32.12 1b3j s PRO 183 CO -0.07 -0.85 0.98 -1.25 0.04 0.00 0.00 177.00 175.86 1b3j s PRO 184 N -2.83 2.77 -0.27 0.56 0.04 -1.26 -4.25 135.00 129.76 1b3j s PRO 184 Ca 0.68 0.09 -0.04 0.00 0.04 0.00 0.00 61.00 61.77 1b3j s PRO 184 Cb -0.33 -2.18 0.02 0.00 0.04 0.00 0.00 34.50 32.05 1b3j s PRO 184 CO 0.39 -0.90 0.01 -1.64 0.04 0.00 0.00 177.00 174.91 1b3j s MET 185 N -5.15 2.98 -0.01 4.56 -1.94 -0.18 -4.82 119.30 114.73 1b3j s MET 185 Ca 0.56 -0.91 -0.10 0.00 -1.71 0.00 0.00 55.69 53.54 1b3j s MET 185 Cb -0.11 -3.19 -0.05 0.00 2.01 0.00 0.00 34.83 33.50 1b3j s MET 185 CO 0.47 -0.42 0.30 0.08 -0.01 0.00 0.00 175.02 175.44 1b3j s VAL 186 N 1.42 5.23 -0.23 -6.03 1.01 -1.24 -1.51 120.40 119.04 1b3j s VAL 186 Ca 0.01 0.42 -0.06 0.00 0.00 0.00 0.00 61.98 62.36 1b3j s VAL 186 Cb -0.17 -3.59 0.12 0.00 0.00 0.00 0.00 36.38 32.74 1b3j s VAL 186 CO -0.01 0.47 0.45 0.20 0.00 0.00 0.00 175.10 176.22 1b3j s ASN 187 N -1.38 -0.34 -0.03 3.32 -0.87 0.14 -4.96 114.94 110.82 1b3j s ASN 187 Ca 0.25 0.85 -0.20 0.00 -1.57 0.00 0.00 52.86 52.18 1b3j s ASN 187 Cb -0.14 1.49 -0.05 0.00 -0.02 0.00 0.00 41.25 42.53 1b3j s ASN 187 CO 0.13 -0.25 0.58 -0.69 -2.57 0.00 0.00 177.10 174.29 1b3j s VAL 188 N 2.65 4.99 0.03 1.60 1.01 -1.26 -1.83 120.40 127.59 1b3j s VAL 188 Ca 0.04 1.19 0.01 0.00 0.00 0.00 0.00 61.98 63.23 1b3j s VAL 188 Cb -0.13 -3.91 -0.02 0.00 0.00 0.00 0.00 36.38 32.31 1b3j s VAL 188 CO -0.15 0.39 -0.06 0.42 0.00 0.00 0.00 175.10 175.70 1b3j s THR 189 N 0.05 0.38 -0.00 3.92 -4.23 -0.32 -4.69 115.64 110.74 1b3j s THR 189 Ca 0.30 -0.93 0.04 0.00 -1.18 0.00 0.00 61.69 59.92 1b3j s THR 189 Cb -0.17 -0.46 -0.03 0.00 1.34 0.00 0.00 72.50 73.17 1b3j s THR 189 CO 0.16 -0.37 -0.10 0.00 -0.54 0.00 0.00 174.62 173.77 1b3j s ARG 190 N -1.39 2.48 -0.95 3.99 1.70 -1.26 0.65 118.95 124.16 1b3j s ARG 190 Ca -0.11 -0.75 -0.06 0.00 -0.47 0.00 0.00 55.73 54.34 1b3j s ARG 190 Cb -0.09 -2.44 0.24 0.00 -0.57 0.00 0.00 34.95 32.09 1b3j s ARG 190 CO -0.00 0.60 0.89 -1.12 -1.08 0.00 0.00 175.30 174.58 1b3j s SER 191 N -1.26 6.55 0.00 -2.89 0.01 -0.40 -4.95 113.70 110.76 1b3j s SER 191 Ca 0.15 -3.50 0.00 0.00 1.31 0.00 0.00 55.95 53.92 1b3j s SER 191 Cb -0.11 -2.06 0.00 0.00 0.21 0.00 0.00 66.02 64.06 1b3j s SER 191 CO 0.05 -0.28 0.00 -0.62 0.41 0.00 0.00 173.24 172.80 1b3j n GLU 192 N 2.74 0.00 -3.95 12.44 -0.58 -1.26 -3.80 120.64 126.23 1b3j n GLU 192 Ca 0.20 0.00 -0.10 0.00 -0.42 0.00 0.00 57.16 56.85 1b3j n GLU 192 Cb 0.39 0.00 -0.06 0.00 -0.57 0.00 0.00 31.44 31.20 1b3j n GLU 192 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1b3j s ALA 193 N 0.00 -0.12 0.00 0.62 0.00 -1.26 -4.90 121.76 116.10 1b3j s ALA 193 Ca 0.00 -0.83 0.00 0.00 0.00 0.00 0.00 51.96 51.13 1b3j s ALA 193 Cb 0.00 0.93 0.00 0.00 0.00 0.00 0.00 23.12 24.05 1b3j s ALA 193 CO 0.00 -0.71 0.00 -1.13 0.00 0.00 0.00 175.76 173.92 1b3j n SER 194 N -0.27 0.00 -0.08 0.00 3.41 -1.26 -4.66 113.62 110.75 1b3j n SER 194 Ca -0.06 0.00 -0.16 0.00 -0.26 0.00 0.00 58.87 58.39 1b3j n SER 194 Cb 0.63 0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 64.46 1b3j n SER 194 CO 0.00 0.00 0.00 1.05 -0.16 0.00 0.00 175.04 175.93 1b3j h GLU 195 N 0.00 0.00 0.00 4.33 4.11 -2.01 -3.28 114.58 117.73 1b3j h GLU 195 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1b3j h GLU 195 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1b3j h GLU 195 CO 0.00 0.91 0.00 0.41 0.07 0.00 0.00 179.01 180.40 1b3j n GLY 196 N 1.54 -0.86 7.00 1.06 0.00 -1.26 -4.95 105.19 107.72 1b3j n GLY 196 Ca -0.19 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 45.71 1b3j n GLY 196 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1b3j n ASN 197 N -1.15 -1.43 -4.88 1.61 3.02 -1.24 -4.65 115.26 106.54 1b3j n ASN 197 Ca 0.13 0.00 -0.29 0.00 -0.03 0.00 0.00 54.58 54.40 1b3j n ASN 197 Cb 0.13 0.00 0.09 0.00 -0.61 0.00 0.00 39.78 39.39 1b3j n ASN 197 CO 0.00 0.00 0.00 0.27 -2.62 0.00 0.00 177.26 174.91 1b3j s ILE 198 N 0.00 2.01 -0.33 2.41 -4.36 -0.70 -4.32 121.20 115.91 1b3j s ILE 198 Ca 0.00 -0.01 0.01 0.00 -0.26 0.00 0.00 60.65 60.39 1b3j s ILE 198 Cb 0.00 -3.00 0.10 0.00 1.25 0.00 0.00 42.46 40.81 1b3j s ILE 198 CO 0.00 0.00 0.09 -0.89 0.24 0.00 0.00 174.94 174.38 1b3j s THR 199 N -3.58 1.32 0.28 8.37 2.01 -1.25 -0.24 115.64 122.55 1b3j s THR 199 Ca 0.62 -1.76 -0.23 0.00 0.31 0.00 0.00 61.69 60.64 1b3j s THR 199 Cb -0.11 -1.99 -0.09 0.00 0.01 0.00 0.00 72.50 70.32 1b3j s THR 199 CO 0.49 -0.67 0.84 0.68 -0.69 0.00 0.00 174.62 175.26 1b3j s VAL 200 N 1.32 4.40 -0.05 3.82 -7.23 -1.11 -1.27 120.40 120.27 1b3j s VAL 200 Ca 0.11 1.54 0.01 0.00 -1.81 0.00 0.00 61.98 61.82 1b3j s VAL 200 Cb -0.18 -3.92 0.02 0.00 0.56 0.00 0.00 36.38 32.87 1b3j s VAL 200 CO -0.19 0.15 -0.04 -0.89 -0.31 0.00 0.00 175.10 173.83 1b3j s THR 201 N -1.60 0.51 -0.25 5.32 2.01 0.21 -2.63 115.64 119.21 1b3j s THR 201 Ca 0.47 -0.07 -0.10 0.00 0.31 0.00 0.00 61.69 62.30 1b3j s THR 201 Cb -0.17 -0.56 -0.04 0.00 0.01 0.00 0.00 72.50 71.73 1b3j s THR 201 CO 0.22 0.23 0.14 0.00 -0.69 0.00 0.00 174.62 174.52 1b3j s ARG 203 N 1.36 2.38 -0.12 0.00 0.52 -0.76 -0.55 118.95 121.78 1b3j s ARG 203 Ca 0.06 -0.87 0.03 0.00 -0.52 0.00 0.00 55.73 54.43 1b3j s ARG 203 Cb -0.15 -2.16 0.01 0.00 0.52 0.00 0.00 34.95 33.17 1b3j s ARG 203 CO 0.06 0.50 -0.20 0.00 0.02 0.00 0.00 175.30 175.68 1b3j s ALA 204 N -0.44 2.02 0.19 2.13 0.00 -0.93 -0.68 121.76 124.04 1b3j s ALA 204 Ca 0.05 -0.93 -0.00 0.00 0.00 0.00 0.00 51.96 51.08 1b3j s ALA 204 Cb -0.12 -0.88 -0.04 0.00 0.00 0.00 0.00 23.12 22.08 1b3j s ALA 204 CO 0.01 0.04 0.08 -1.54 0.00 0.00 0.00 175.76 174.35 1b3j s SER 205 N 0.74 0.62 -1.46 0.00 1.04 -0.57 -1.35 113.70 112.72 1b3j s SER 205 Ca -0.10 -1.31 0.00 0.00 0.48 0.00 0.00 55.95 55.02 1b3j s SER 205 Cb -0.16 0.26 0.00 0.00 0.10 0.00 0.00 66.02 66.22 1b3j s SER 205 CO 0.01 -0.74 0.00 0.61 0.98 0.00 0.00 173.24 174.10 1b3j n GLY 206 N -0.27 -0.14 3.84 7.32 0.00 -0.54 -1.01 105.19 114.39 1b3j n GLY 206 Ca -0.02 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.79 1b3j n GLY 206 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1b3j s PHE 207 N -2.75 3.02 -0.27 1.61 -0.71 -1.11 -4.65 117.98 113.13 1b3j s PHE 207 Ca 0.00 -0.20 -0.23 0.00 -1.04 0.00 0.00 56.93 55.46 1b3j s PHE 207 Cb 0.00 -1.60 0.08 0.00 -1.21 0.00 0.00 43.02 40.29 1b3j s PHE 207 CO 0.00 0.35 0.76 -0.47 -1.34 0.00 0.00 175.22 174.52 1b3j s TYR 208 N -2.21 -0.79 0.00 3.49 6.14 -0.02 -0.48 117.35 123.47 1b3j s TYR 208 Ca 0.37 1.86 0.00 0.00 0.64 0.00 0.00 57.07 59.94 1b3j s TYR 208 Cb -0.07 0.34 0.00 0.00 0.42 0.00 0.00 41.96 42.65 1b3j s TYR 208 CO 0.26 -0.38 0.00 -2.30 0.64 0.00 0.00 175.55 173.76 1b3j n PRO 209 N 2.91 0.69 0.04 4.97 -0.02 -1.26 0.13 135.00 142.46 1b3j n PRO 209 Ca -0.15 0.00 -0.15 0.00 -2.02 0.00 0.00 63.50 61.18 1b3j n PRO 209 Cb 0.56 0.00 -0.14 0.00 -0.02 0.00 0.00 33.50 33.90 1b3j n PRO 209 CO 0.00 0.00 0.00 0.11 1.98 0.00 0.00 175.50 177.59 1b3j h TRP 210 N -0.81 0.34 -2.19 6.00 0.09 -2.00 -3.46 115.95 113.92 1b3j h TRP 210 Ca 0.00 -0.24 -0.58 0.00 0.09 0.00 0.00 58.89 58.15 1b3j h TRP 210 Cb 0.00 -0.01 -0.00 0.00 0.08 0.00 0.00 29.16 29.22 1b3j h TRP 210 CO 0.00 1.34 1.41 1.21 0.09 0.00 0.00 178.44 182.49 1b3j s ASN 211 N -6.79 5.67 0.06 0.11 3.84 -1.26 -4.93 114.94 111.65 1b3j s ASN 211 Ca -0.09 1.85 0.01 0.00 0.21 0.00 0.00 52.86 54.83 1b3j s ASN 211 Cb 0.07 -2.52 -0.03 0.00 -0.55 0.00 0.00 41.25 38.22 1b3j s ASN 211 CO 0.83 -1.80 -0.06 -0.51 -2.79 0.00 0.00 177.10 172.78 1b3j s ILE 212 N 7.53 0.47 -0.24 -5.21 2.07 -1.26 -4.15 121.20 120.41 1b3j s ILE 212 Ca 0.94 -1.45 0.01 0.00 -1.41 0.00 0.00 60.65 58.74 1b3j s ILE 212 Cb -0.32 -1.06 0.06 0.00 0.13 0.00 0.00 42.46 41.28 1b3j s ILE 212 CO 0.35 -0.67 -0.07 -0.89 -1.91 0.00 0.00 174.94 171.76 1b3j s THR 213 N -2.55 1.70 0.03 4.00 2.01 0.15 -4.93 115.64 116.05 1b3j s THR 213 Ca -0.01 -1.34 0.06 0.00 0.31 0.00 0.00 61.69 60.71 1b3j s THR 213 Cb -0.02 -1.93 -0.03 0.00 0.01 0.00 0.00 72.50 70.53 1b3j s THR 213 CO -0.03 -0.09 -0.16 -0.22 -0.69 0.00 0.00 174.62 173.43 1b3j s LEU 214 N 1.31 2.73 0.00 4.42 2.96 -1.26 0.10 118.68 128.96 1b3j s LEU 214 Ca -0.06 -0.37 0.00 0.00 -0.22 0.00 0.00 54.13 53.48 1b3j s LEU 214 Cb -0.19 -1.59 0.00 0.00 0.50 0.00 0.00 46.19 44.91 1b3j s LEU 214 CO -0.06 0.26 0.00 -0.24 -1.32 0.00 0.00 176.35 174.99 1b3j n SER 215 N 1.53 0.00 -4.91 3.68 2.88 -0.66 -4.98 113.62 111.15 1b3j n SER 215 Ca -0.16 0.00 -0.28 0.00 -1.33 0.00 0.00 58.87 57.10 1b3j n SER 215 Cb 0.52 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.95 1b3j n SER 215 CO 0.00 0.00 0.00 0.26 -1.23 0.00 0.00 175.04 174.07 1b3j s TRP 216 N -1.84 3.48 -0.04 0.66 0.52 -1.26 0.59 118.94 121.04 1b3j s TRP 216 Ca 0.00 0.54 -0.01 0.00 0.02 0.00 0.00 56.10 56.65 1b3j s TRP 216 Cb 0.00 -2.02 0.03 0.00 -1.15 0.00 0.00 33.47 30.33 1b3j s TRP 216 CO 0.00 0.26 0.03 1.03 0.02 0.00 0.00 176.95 178.29 1b3j s ARG 217 N -3.40 0.18 -0.22 4.98 0.52 0.11 -1.41 118.95 119.70 1b3j s ARG 217 Ca 0.42 0.23 -0.07 0.00 -0.52 0.00 0.00 55.73 55.79 1b3j s ARG 217 Cb -0.11 -0.60 -0.03 0.00 0.52 0.00 0.00 34.95 34.73 1b3j s ARG 217 CO 0.29 -0.27 0.06 -1.14 0.02 0.00 0.00 175.30 174.26 1b3j s GLN 218 N 1.79 3.73 -1.52 3.54 0.74 -0.36 -1.19 119.66 126.38 1b3j s GLN 218 Ca 0.01 -0.45 -0.05 0.00 0.05 0.00 0.00 55.36 54.91 1b3j s GLN 218 Cb -0.12 -3.25 0.02 0.00 1.10 0.00 0.00 33.01 30.75 1b3j s GLN 218 CO -0.03 -0.03 0.57 -0.25 -0.55 0.00 0.00 175.29 174.99 1b3j n ASP 219 N 4.45 -5.76 0.00 6.67 8.00 -0.44 -2.51 116.55 126.97 1b3j n ASP 219 Ca -0.16 -0.29 0.00 0.00 0.71 0.00 0.00 54.79 55.05 1b3j n ASP 219 Cb 0.52 -4.67 0.00 0.00 -0.02 0.00 0.00 41.12 36.95 1b3j n ASP 219 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1b3j n GLY 220 N -1.45 2.07 3.74 0.44 0.00 -1.26 -4.98 105.19 103.75 1b3j n GLY 220 Ca -0.10 -0.40 -0.41 0.00 0.00 0.00 0.00 46.02 45.10 1b3j n GLY 220 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1b3j s VAL 221 N -0.32 3.17 0.23 1.61 1.01 -1.04 -4.91 120.40 120.15 1b3j s VAL 221 Ca 0.00 1.00 -0.30 0.00 0.00 0.00 0.00 61.98 62.68 1b3j s VAL 221 Cb 0.00 -3.64 -0.09 0.00 0.00 0.00 0.00 36.38 32.65 1b3j s VAL 221 CO 0.00 0.17 1.29 -0.44 0.00 0.00 0.00 175.10 176.11 1b3j s SER 222 N 0.15 6.91 0.58 3.32 0.01 -1.26 -1.23 113.70 122.18 1b3j s SER 222 Ca 0.55 2.43 -0.19 0.00 1.31 0.00 0.00 55.95 60.05 1b3j s SER 222 Cb -0.37 -2.62 -0.04 0.00 0.21 0.00 0.00 66.02 63.20 1b3j s SER 222 CO 0.40 -0.49 1.18 -0.76 0.41 0.00 0.00 173.24 173.98 1b3j s LEU 223 N -0.52 3.69 0.57 2.44 1.02 -0.50 -4.89 118.68 120.49 1b3j s LEU 223 Ca 0.54 2.31 -0.15 0.00 0.02 0.00 0.00 54.13 56.85 1b3j s LEU 223 Cb -0.37 -4.59 -0.05 0.00 0.02 0.00 0.00 46.19 41.20 1b3j s LEU 223 CO 0.41 -1.47 1.03 -0.44 0.02 0.00 0.00 176.35 175.89 1b3j s SER 224 N -1.67 6.10 -0.65 2.29 0.01 -1.26 -4.91 113.70 113.61 1b3j s SER 224 Ca 0.76 1.68 -0.26 0.00 1.31 0.00 0.00 55.95 59.43 1b3j s SER 224 Cb -0.28 -2.52 -0.02 0.00 0.21 0.00 0.00 66.02 63.42 1b3j s SER 224 CO 0.31 -0.95 1.79 -2.28 0.41 0.00 0.00 173.24 172.53 1b3j s HIS 225 N -2.62 1.75 0.00 2.43 2.46 -1.26 -2.49 115.29 115.56 1b3j s HIS 225 Ca 0.61 0.66 0.00 0.00 0.47 0.00 0.00 55.06 56.80 1b3j s HIS 225 Cb -0.13 -4.16 0.00 0.00 -0.13 0.00 0.00 32.58 28.16 1b3j s HIS 225 CO 0.37 -2.24 0.00 -3.47 -2.47 0.00 0.00 174.74 166.93 1b3j n ASP 226 N 12.39 0.00 -0.02 9.88 2.03 -1.26 -4.92 116.55 134.66 1b3j n ASP 226 Ca 0.20 0.00 0.23 0.00 0.52 0.00 0.00 54.79 55.74 1b3j n ASP 226 Cb 0.51 0.00 0.72 0.00 -0.72 0.00 0.00 41.12 41.64 1b3j n ASP 226 CO 0.00 0.00 0.00 0.74 -1.92 0.00 0.00 177.20 176.02 1b3j h THR 227 N 0.00 0.47 -2.24 5.18 2.02 -1.87 -3.41 112.91 113.07 1b3j h THR 227 Ca 0.00 0.00 -0.56 0.00 0.77 0.00 0.00 66.41 66.62 1b3j h THR 227 Cb 0.00 0.61 -0.09 0.00 -1.74 0.00 0.00 68.15 66.93 1b3j h THR 227 CO 0.00 0.00 -0.64 -1.10 0.37 0.00 0.00 175.52 174.15 1b3j s GLN 228 N -4.78 2.35 -0.07 6.66 -0.21 -1.25 -4.05 119.66 118.31 1b3j s GLN 228 Ca -0.05 -1.37 -0.00 0.00 0.02 0.00 0.00 55.36 53.96 1b3j s GLN 228 Cb 0.18 -2.21 -0.03 0.00 1.00 0.00 0.00 33.01 31.95 1b3j s GLN 228 CO 0.64 0.37 -0.04 -0.65 -2.12 0.00 0.00 175.29 173.50 1b3j s GLN 229 N -3.65 2.83 -0.05 2.91 1.11 0.44 -4.95 119.66 118.31 1b3j s GLN 229 Ca 0.31 -0.50 0.05 0.00 0.01 0.00 0.00 55.36 55.23 1b3j s GLN 229 Cb -0.07 -2.67 -0.02 0.00 -1.01 0.00 0.00 33.01 29.24 1b3j s GLN 229 CO 0.20 0.68 -0.19 -1.58 0.01 0.00 0.00 175.29 174.41 1b3j s TRP 230 N -0.85 2.57 -0.08 0.91 0.52 -1.26 -1.29 118.94 119.46 1b3j s TRP 230 Ca 0.13 -0.32 -0.05 0.00 0.02 0.00 0.00 56.10 55.88 1b3j s TRP 230 Cb -0.11 -1.60 -0.04 0.00 -1.15 0.00 0.00 33.47 30.57 1b3j s TRP 230 CO 0.02 0.06 0.14 0.20 0.02 0.00 0.00 176.95 177.39 1b3j s GLY 231 N -0.58 2.14 0.83 0.98 0.00 -0.22 -5.01 107.32 105.46 1b3j s GLY 231 Ca 0.08 -0.70 -0.11 0.00 0.00 0.00 0.00 44.72 43.99 1b3j s GLY 231 CO 0.01 -0.50 1.13 0.99 0.00 0.00 0.00 173.10 174.72 1b3j s ASP 232 N -1.35 3.74 -0.61 1.64 1.01 -1.26 -4.20 116.67 115.63 1b3j s ASP 232 Ca 0.19 2.05 -0.24 0.00 0.71 0.00 0.00 52.55 55.26 1b3j s ASP 232 Cb -0.12 -2.55 0.05 0.00 1.01 0.00 0.00 42.92 41.31 1b3j s ASP 232 CO 0.09 -2.55 0.99 -0.69 0.21 0.00 0.00 175.17 173.22 1b3j s VAL 233 N -2.68 4.29 0.23 -1.27 1.01 -1.26 -4.44 120.40 116.27 1b3j s VAL 233 Ca 0.65 0.09 0.09 0.00 0.00 0.00 0.00 61.98 62.81 1b3j s VAL 233 Cb -0.21 -4.63 -0.04 0.00 0.00 0.00 0.00 36.38 31.50 1b3j s VAL 233 CO 0.55 -1.31 -0.02 -0.76 0.00 0.00 0.00 175.10 173.57 1b3j s LEU 234 N 4.19 3.20 0.42 3.92 1.43 0.63 -4.88 118.68 127.59 1b3j s LEU 234 Ca 0.28 -0.56 -0.26 0.00 -1.03 0.00 0.00 54.13 52.56 1b3j s LEU 234 Cb -0.13 -1.78 -0.10 0.00 0.03 0.00 0.00 46.19 44.21 1b3j s LEU 234 CO 0.16 0.04 1.38 -0.81 0.23 0.00 0.00 176.35 177.35 1b3j n PRO 235 N -0.52 2.21 -1.88 1.29 -0.04 -1.26 0.77 135.00 135.57 1b3j n PRO 235 Ca -0.08 0.78 0.00 0.00 -0.04 0.00 0.00 63.50 64.16 1b3j n PRO 235 Cb 0.57 -2.54 0.00 0.00 -0.04 0.00 0.00 33.50 31.50 1b3j n PRO 235 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1b3j n ASP 236 N 0.11 0.36 -4.37 3.54 2.03 0.20 -4.64 116.55 113.77 1b3j n ASP 236 Ca 0.05 -0.94 -0.38 0.00 0.52 0.00 0.00 54.79 54.04 1b3j n ASP 236 Cb 0.40 0.00 0.04 0.00 -0.72 0.00 0.00 41.12 40.84 1b3j n ASP 236 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1b3j n GLY 237 N 0.89 -2.21 3.87 0.27 0.00 -1.26 -3.22 105.19 103.54 1b3j n GLY 237 Ca 0.00 -0.27 -0.22 0.00 0.00 0.00 0.00 46.02 45.54 1b3j n GLY 237 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1b3j n ASN 238 N 1.08 -1.76 -0.03 1.61 5.15 -1.26 0.97 115.26 121.01 1b3j n ASN 238 Ca 0.09 -0.60 -0.00 0.00 -0.60 0.00 0.00 54.58 53.47 1b3j n ASN 238 Cb 0.49 -0.72 -0.00 0.00 -0.53 0.00 0.00 39.78 39.01 1b3j n ASN 238 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1b3j n GLY 239 N -1.48 0.27 2.15 8.20 0.00 -1.24 -5.01 105.19 108.08 1b3j n GLY 239 Ca -0.05 -0.02 -0.13 0.00 0.00 0.00 0.00 46.02 45.82 1b3j n GLY 239 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1b3j n THR 240 N -2.47 0.00 -4.64 2.61 -2.24 0.27 -4.89 114.28 102.92 1b3j n THR 240 Ca -0.00 -0.85 -0.29 0.00 -2.27 0.00 0.00 64.05 60.63 1b3j n THR 240 Cb 0.27 -1.14 -0.08 0.00 -2.10 0.00 0.00 70.33 67.28 1b3j n THR 240 CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 1b3j s TYR 241 N -1.66 1.84 -0.03 4.78 1.51 0.36 0.60 117.35 124.75 1b3j s TYR 241 Ca 0.37 -1.11 -0.29 0.00 -1.01 0.00 0.00 57.07 55.03 1b3j s TYR 241 Cb -0.02 -1.39 0.10 0.00 -0.11 0.00 0.00 41.96 40.54 1b3j s TYR 241 CO 0.25 -0.03 0.86 1.14 -1.11 0.00 0.00 175.55 176.66 1b3j s GLN 242 N -3.79 0.84 0.07 -0.62 -2.07 0.23 -1.46 119.66 112.86 1b3j s GLN 242 Ca 0.15 -0.13 -0.06 0.00 -1.82 0.00 0.00 55.36 53.51 1b3j s GLN 242 Cb 0.02 0.39 0.02 0.00 -1.09 0.00 0.00 33.01 32.35 1b3j s GLN 242 CO 0.09 -0.33 0.28 -2.37 -1.32 0.00 0.00 175.29 171.63 1b3j n THR 243 N 0.15 0.00 -3.59 3.63 5.66 -0.46 -0.27 114.28 119.41 1b3j n THR 243 Ca -0.11 -0.20 -0.07 0.00 -3.05 0.00 0.00 64.05 60.62 1b3j n THR 243 Cb 0.60 0.24 -0.02 0.00 -1.55 0.00 0.00 70.33 69.61 1b3j n THR 243 CO 0.00 0.00 0.00 -1.66 -3.05 0.00 0.00 175.07 170.36 1b3j s TRP 244 N -5.55 -0.27 -0.06 1.09 1.48 -1.26 -2.20 118.94 112.17 1b3j s TRP 244 Ca 0.06 0.08 -0.05 0.00 -1.06 0.00 0.00 56.10 55.12 1b3j s TRP 244 Cb -0.01 0.57 0.02 0.00 -1.16 0.00 0.00 33.47 32.89 1b3j s TRP 244 CO 0.02 -0.65 0.16 0.14 -4.06 0.00 0.00 176.95 172.56 1b3j s VAL 245 N -3.19 -0.00 0.03 -0.66 -7.23 0.28 -1.05 120.40 108.57 1b3j s VAL 245 Ca 0.07 0.01 -0.03 0.00 -1.81 0.00 0.00 61.98 60.23 1b3j s VAL 245 Cb -0.01 -0.24 -0.02 0.00 0.56 0.00 0.00 36.38 36.68 1b3j s VAL 245 CO -0.05 0.01 0.03 0.00 -0.31 0.00 0.00 175.10 174.77 1b3j s ALA 246 N 0.18 0.07 0.07 1.32 0.00 -0.41 0.12 121.76 123.10 1b3j s ALA 246 Ca -0.01 -0.61 -0.05 0.00 0.00 0.00 0.00 51.96 51.29 1b3j s ALA 246 Cb -0.02 0.19 -0.02 0.00 0.00 0.00 0.00 23.12 23.27 1b3j s ALA 246 CO -0.00 -0.24 0.08 -0.08 0.00 0.00 0.00 175.76 175.51 1b3j s THR 247 N -2.16 0.18 -0.44 0.00 -1.32 -1.08 0.17 115.64 110.99 1b3j s THR 247 Ca -0.09 -1.47 -0.23 0.00 -1.21 0.00 0.00 61.69 58.69 1b3j s THR 247 Cb -0.04 -1.38 0.02 0.00 -1.51 0.00 0.00 72.50 69.59 1b3j s THR 247 CO -0.03 -0.81 0.78 -0.60 -2.21 0.00 0.00 174.62 171.75 1b3j s ARG 248 N -3.76 3.46 0.21 7.08 3.52 -1.26 -2.74 118.95 125.45 1b3j s ARG 248 Ca 0.05 -0.04 -0.07 0.00 -0.13 0.00 0.00 55.73 55.54 1b3j s ARG 248 Cb 0.06 -3.92 -0.06 0.00 -1.56 0.00 0.00 34.95 29.47 1b3j s ARG 248 CO -0.10 -1.07 0.48 0.42 -0.81 0.00 0.00 175.30 174.22 1b3j s ILE 249 N 3.26 5.04 0.14 4.11 1.01 0.66 -4.98 121.20 130.43 1b3j s ILE 249 Ca 0.30 0.23 0.06 0.00 0.00 0.00 0.00 60.65 61.24 1b3j s ILE 249 Cb -0.12 -3.64 -0.04 0.00 0.01 0.00 0.00 42.46 38.67 1b3j s ILE 249 CO 0.22 -0.07 -0.01 0.00 0.00 0.00 0.00 174.94 175.07 1b3j n GLN 251 N 0.20 0.00 -2.94 0.00 10.64 -1.26 -2.41 117.38 121.61 1b3j n GLN 251 Ca -0.11 0.00 -0.43 0.00 -1.83 0.00 0.00 57.00 54.64 1b3j n GLN 251 Cb 0.54 0.00 0.01 0.00 -0.86 0.00 0.00 30.24 29.93 1b3j n GLN 251 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 1b3j n GLY 252 N 0.00 5.27 0.14 2.61 0.00 -1.26 -4.58 105.19 107.37 1b3j n GLY 252 Ca 0.00 -2.64 0.03 0.00 0.00 0.00 0.00 46.02 43.41 1b3j n GLY 252 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1b3j n GLU 253 N 1.24 2.71 0.31 1.61 1.02 -1.01 -4.70 120.64 121.82 1b3j n GLU 253 Ca 0.29 -1.80 0.19 0.00 -0.02 0.00 0.00 57.16 55.82 1b3j n GLU 253 Cb 0.32 -1.15 1.05 0.00 -0.02 0.00 0.00 31.44 31.65 1b3j n GLU 253 CO 0.00 0.00 0.00 1.05 1.18 0.00 0.00 177.13 179.36 1b3j h GLU 254 N 0.36 0.00 -0.99 3.49 9.09 -1.81 -1.85 114.58 122.87 1b3j h GLU 254 Ca 0.00 0.00 0.17 0.00 0.05 0.00 0.00 59.36 59.58 1b3j h GLU 254 Cb 0.65 0.00 -0.10 0.00 -1.65 0.00 0.00 28.75 27.65 1b3j h GLU 254 CO 0.01 0.00 0.60 1.96 0.05 0.00 0.00 179.01 181.63 1b3j h GLN 255 N 0.00 0.80 0.00 1.06 4.20 -1.93 0.33 115.11 119.56 1b3j h GLN 255 Ca 0.01 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.67 1b3j h GLN 255 Cb 0.08 -0.18 0.00 0.00 0.30 0.00 0.00 27.48 27.68 1b3j h GLN 255 CO -0.00 0.53 -0.05 0.00 -0.67 0.00 0.00 178.83 178.64 1b3j h ARG 256 N 0.82 0.00 -5.58 1.46 3.08 -1.71 -3.46 114.38 108.99 1b3j h ARG 256 Ca 0.55 0.00 -0.61 0.00 0.07 0.00 0.00 59.98 59.99 1b3j h ARG 256 Cb 0.77 0.00 -0.09 0.00 0.08 0.00 0.00 29.97 30.73 1b3j h ARG 256 CO -0.35 0.00 -0.36 -0.06 -1.07 0.00 0.00 179.97 178.13 1b3j s PHE 257 N -3.16 3.53 -0.09 3.04 0.40 0.10 -1.32 117.98 120.49 1b3j s PHE 257 Ca 0.09 0.61 -0.06 0.00 -0.60 0.00 0.00 56.93 56.97 1b3j s PHE 257 Cb 0.09 -2.22 0.03 0.00 0.51 0.00 0.00 43.02 41.43 1b3j s PHE 257 CO 0.64 0.42 0.22 -0.08 0.70 0.00 0.00 175.22 177.12 1b3j s THR 258 N -0.12 -0.01 0.03 0.64 -1.32 -0.34 -3.72 115.64 110.80 1b3j s THR 258 Ca 0.16 0.05 -0.20 0.00 -1.21 0.00 0.00 61.69 60.50 1b3j s THR 258 Cb -0.13 -0.32 -0.06 0.00 -1.51 0.00 0.00 72.50 70.48 1b3j s THR 258 CO 0.05 0.02 0.57 0.00 -2.21 0.00 0.00 174.62 173.05 1b3j s TYR 260 N -0.65 2.40 -0.00 0.00 6.14 0.20 -0.71 117.35 124.73 1b3j s TYR 260 Ca 0.29 -0.92 0.04 0.00 0.64 0.00 0.00 57.07 57.13 1b3j s TYR 260 Cb -0.19 -1.61 -0.01 0.00 0.42 0.00 0.00 41.96 40.57 1b3j s TYR 260 CO 0.18 -0.36 -0.14 0.00 0.64 0.00 0.00 175.55 175.87 1b3j s MET 261 N 0.26 1.10 -0.03 4.97 0.23 -0.86 -1.66 119.30 123.31 1b3j s MET 261 Ca -0.15 -0.55 0.02 0.00 -1.03 0.00 0.00 55.69 53.98 1b3j s MET 261 Cb -0.17 -1.07 0.01 0.00 -1.53 0.00 0.00 34.83 32.07 1b3j s MET 261 CO 0.07 0.29 -0.07 -2.00 -2.03 0.00 0.00 175.02 171.28 1b3j s GLU 262 N -0.47 0.88 -0.09 3.16 2.56 0.12 -2.13 118.70 122.72 1b3j s GLU 262 Ca 0.05 -0.23 -0.04 0.00 0.00 0.00 0.00 54.97 54.74 1b3j s GLU 262 Cb -0.06 -0.84 0.05 0.00 2.00 0.00 0.00 34.13 35.28 1b3j s GLU 262 CO -0.00 0.05 0.21 -1.58 -0.56 0.00 0.00 175.26 173.38 1b3j s HIS 263 N 0.40 -0.28 -0.60 5.30 2.46 0.14 0.30 115.29 123.01 1b3j s HIS 263 Ca -0.06 0.71 -0.16 0.00 0.47 0.00 0.00 55.06 56.02 1b3j s HIS 263 Cb -0.10 -0.04 0.02 0.00 -0.13 0.00 0.00 32.58 32.33 1b3j s HIS 263 CO 0.00 -0.24 0.35 -1.13 -2.47 0.00 0.00 174.74 171.25 1b3j n SER 264 N 4.52 -2.17 0.00 9.88 3.41 -1.26 0.11 113.62 128.11 1b3j n SER 264 Ca -0.20 -0.66 0.00 0.00 -0.26 0.00 0.00 58.87 57.75 1b3j n SER 264 Cb 0.52 -0.82 0.00 0.00 -0.26 0.00 0.00 64.21 63.65 1b3j n SER 264 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1b3j n GLY 265 N -1.47 2.65 3.88 5.00 0.00 -1.26 -4.90 105.19 109.09 1b3j n GLY 265 Ca -0.08 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.64 1b3j n GLY 265 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1b3j s ASN 266 N -3.52 6.11 0.12 1.61 -0.87 0.31 -5.12 114.94 113.58 1b3j s ASN 266 Ca 0.00 0.19 -0.05 0.00 -1.57 0.00 0.00 52.86 51.43 1b3j s ASN 266 Cb 0.00 -1.82 -0.02 0.00 -0.02 0.00 0.00 41.25 39.39 1b3j s ASN 266 CO 0.00 0.17 0.13 -1.38 -2.57 0.00 0.00 177.10 173.45 1b3j s HIS 267 N -1.47 0.52 -0.14 2.20 -3.43 -1.26 0.25 115.29 111.96 1b3j s HIS 267 Ca 0.33 -0.94 -0.30 0.00 -0.80 0.00 0.00 55.06 53.35 1b3j s HIS 267 Cb -0.13 -0.26 0.12 0.00 -1.43 0.00 0.00 32.58 30.89 1b3j s HIS 267 CO 0.26 -0.55 0.99 -1.54 -2.00 0.00 0.00 174.74 171.90 1b3j s SER 268 N -2.96 -0.36 -0.04 7.38 1.04 -0.91 -5.02 113.70 112.83 1b3j s SER 268 Ca 0.15 0.34 0.06 0.00 0.48 0.00 0.00 55.95 56.97 1b3j s SER 268 Cb 0.06 0.31 -0.02 0.00 0.10 0.00 0.00 66.02 66.47 1b3j s SER 268 CO -0.04 -0.37 -0.21 0.42 0.98 0.00 0.00 173.24 174.02 1b3j s THR 269 N -1.41 2.45 -0.02 2.02 -4.23 -1.26 -2.03 115.64 111.16 1b3j s THR 269 Ca -0.00 -0.94 0.06 0.00 -1.18 0.00 0.00 61.69 59.62 1b3j s THR 269 Cb -0.01 -1.91 -0.01 0.00 1.34 0.00 0.00 72.50 71.91 1b3j s THR 269 CO 0.00 0.58 -0.21 -1.00 -0.54 0.00 0.00 174.62 173.45 1b3j s HIS 270 N -0.50 1.92 0.60 3.99 3.76 0.11 -4.98 115.29 120.20 1b3j s HIS 270 Ca 0.06 -0.42 0.02 0.00 -0.15 0.00 0.00 55.06 54.58 1b3j s HIS 270 Cb -0.11 -1.25 0.07 0.00 1.11 0.00 0.00 32.58 32.40 1b3j s HIS 270 CO 0.01 -0.07 0.84 -1.25 -0.85 0.00 0.00 174.74 173.41 1b3j s PRO 271 N -0.37 2.22 0.04 8.40 0.04 -1.26 0.19 135.00 144.25 1b3j s PRO 271 Ca 0.05 -1.07 -0.29 0.00 0.04 0.00 0.00 61.00 59.73 1b3j s PRO 271 Cb -0.09 -2.48 -0.04 0.00 0.04 0.00 0.00 34.50 31.92 1b3j s PRO 271 CO 0.00 -0.96 0.91 0.08 0.04 0.00 0.00 177.00 177.07 1b3j s VAL 272 N -2.85 4.73 1.31 -0.36 1.01 -1.24 -4.76 120.40 118.24 1b3j s VAL 272 Ca 0.61 1.93 -0.17 0.00 0.00 0.00 0.00 61.98 64.35 1b3j s VAL 272 Cb -0.08 -4.26 0.34 0.00 0.00 0.00 0.00 36.38 32.38 1b3j s VAL 272 CO 0.40 0.26 0.97 -2.84 0.00 0.00 0.00 175.10 173.89 1b3j s PRO 273 N 0.46 -2.06 0.00 2.72 0.02 -1.26 -4.97 135.00 129.91 1b3j s PRO 273 Ca 0.47 0.54 0.27 0.00 0.02 0.00 0.00 61.00 62.29 1b3j s PRO 273 Cb -0.21 -1.44 0.75 0.00 0.02 0.00 0.00 34.50 33.62 1b3j s PRO 273 CO 0.27 -4.41 1.58 0.43 -0.33 0.00 0.00 177.00 174.54