#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wbj s ARG 4 N 0.00 3.46 0.46 1.09 0.52 -1.26 -4.99 118.95 118.23 2wbj s ARG 4 Ca 0.00 2.13 -0.24 0.00 -0.52 0.00 0.00 55.73 57.10 2wbj s ARG 4 Cb 0.00 -2.40 -0.07 0.00 0.52 0.00 0.00 34.95 32.99 2wbj s ARG 4 CO 0.00 -0.90 1.31 -1.25 0.02 0.00 0.00 175.30 174.49 2wbj s PRO 5 N -2.72 3.68 0.17 3.54 0.04 -1.26 -5.04 135.00 133.41 2wbj s PRO 5 Ca 0.66 2.15 0.11 0.00 0.04 0.00 0.00 61.00 63.97 2wbj s PRO 5 Cb -0.37 -2.55 -0.04 0.00 0.04 0.00 0.00 34.50 31.57 2wbj s PRO 5 CO 0.46 -0.73 -0.24 1.03 0.04 0.00 0.00 177.00 177.56 2wbj s ARG 6 N -2.52 1.53 -0.03 4.56 1.81 -1.26 -5.14 118.95 117.90 2wbj s ARG 6 Ca 0.62 -1.44 0.01 0.00 -1.72 0.00 0.00 55.73 53.21 2wbj s ARG 6 Cb -0.38 -1.90 0.02 0.00 -0.45 0.00 0.00 34.95 32.24 2wbj s ARG 6 CO 0.47 0.42 -0.02 -0.06 -0.68 0.00 0.00 175.30 175.43 2wbj s PHE 7 N -1.46 0.50 0.04 -0.53 0.08 -1.26 -5.06 117.98 110.28 2wbj s PHE 7 Ca 0.19 -0.09 0.04 0.00 0.12 0.00 0.00 56.93 57.19 2wbj s PHE 7 Cb -0.09 -0.49 -0.02 0.00 -0.57 0.00 0.00 43.02 41.85 2wbj s PHE 7 CO 0.09 -0.14 -0.11 -1.17 -0.10 0.00 0.00 175.22 173.79 2wbj s LEU 8 N 0.84 2.17 -0.20 -0.37 2.96 -1.26 -5.02 118.68 117.80 2wbj s LEU 8 Ca -0.10 -0.44 -0.04 0.00 -0.22 0.00 0.00 54.13 53.33 2wbj s LEU 8 Cb -0.13 -0.45 0.08 0.00 0.50 0.00 0.00 46.19 46.19 2wbj s LEU 8 CO -0.01 -0.02 0.16 0.86 -1.32 0.00 0.00 176.35 176.02 2wbj s TRP 9 N -0.90 -0.06 -0.33 5.38 -0.11 -1.26 -1.15 118.94 120.52 2wbj s TRP 9 Ca -0.01 -0.07 -0.02 0.00 1.22 0.00 0.00 56.10 57.22 2wbj s TRP 9 Cb -0.08 -0.53 0.07 0.00 -1.50 0.00 0.00 33.47 31.43 2wbj s TRP 9 CO 0.01 -0.59 0.06 -0.65 -4.62 0.00 0.00 176.95 171.16 2wbj s GLN 10 N 2.24 2.27 0.12 5.86 -0.21 -0.34 -4.97 119.66 124.63 2wbj s GLN 10 Ca 0.05 -1.44 -0.30 0.00 0.02 0.00 0.00 55.36 53.68 2wbj s GLN 10 Cb -0.16 -3.30 -0.06 0.00 1.00 0.00 0.00 33.01 30.49 2wbj s GLN 10 CO -0.13 -0.76 1.11 -2.14 -2.12 0.00 0.00 175.29 171.25 2wbj s PRO 11 N 1.21 4.55 -0.15 2.91 0.02 -1.26 -0.40 135.00 141.87 2wbj s PRO 11 Ca -0.01 1.68 0.01 0.00 0.02 0.00 0.00 61.00 62.71 2wbj s PRO 11 Cb -0.20 -3.32 0.02 0.00 0.02 0.00 0.00 34.50 31.01 2wbj s PRO 11 CO -0.02 -0.03 -0.17 0.15 -0.33 0.00 0.00 177.00 176.60 2wbj s LYS 12 N 0.24 2.58 -0.40 5.54 1.02 0.25 -5.00 119.74 123.97 2wbj s LYS 12 Ca 0.52 -0.68 -0.06 0.00 0.02 0.00 0.00 55.97 55.78 2wbj s LYS 12 Cb -0.28 -2.24 0.09 0.00 -0.52 0.00 0.00 37.83 34.87 2wbj s LYS 12 CO 0.32 -0.16 0.21 1.03 -0.92 0.00 0.00 175.35 175.82 2wbj s ARG 13 N 1.24 2.39 -0.03 1.68 3.00 -1.26 -0.30 118.95 125.67 2wbj s ARG 13 Ca 0.01 -1.55 0.03 0.00 0.00 0.00 0.00 55.73 54.22 2wbj s ARG 13 Cb -0.14 -3.63 -0.03 0.00 0.00 0.00 0.00 34.95 31.15 2wbj s ARG 13 CO -0.08 -0.95 -0.11 -1.83 0.00 0.00 0.00 175.30 172.33 2wbj s GLU 14 N 1.31 2.55 -0.11 3.54 -1.05 -0.24 -4.99 118.70 119.70 2wbj s GLU 14 Ca 0.03 -0.68 0.02 0.00 -0.15 0.00 0.00 54.97 54.19 2wbj s GLU 14 Cb -0.23 -2.45 -0.01 0.00 -0.44 0.00 0.00 34.13 31.01 2wbj s GLU 14 CO -0.00 0.62 -0.20 0.00 0.95 0.00 0.00 175.26 176.63 2wbj s HIS 16 N 0.32 3.10 -0.18 0.00 3.76 0.45 -4.98 115.29 117.77 2wbj s HIS 16 Ca -0.15 -1.16 -0.08 0.00 -0.15 0.00 0.00 55.06 53.52 2wbj s HIS 16 Cb -0.17 -2.17 -0.04 0.00 1.11 0.00 0.00 32.58 31.31 2wbj s HIS 16 CO 0.08 -0.62 0.10 -0.06 -0.85 0.00 0.00 174.74 173.38 2wbj s PHE 17 N 1.44 3.35 0.00 1.40 0.08 -1.26 -1.42 117.98 121.57 2wbj s PHE 17 Ca 0.02 0.24 0.08 0.00 0.12 0.00 0.00 56.93 57.39 2wbj s PHE 17 Cb -0.17 -2.08 -0.02 0.00 -0.57 0.00 0.00 43.02 40.18 2wbj s PHE 17 CO -0.01 0.30 -0.24 -0.06 -0.10 0.00 0.00 175.22 175.12 2wbj s PHE 18 N 0.12 2.13 -1.40 0.36 0.40 -0.12 -4.80 117.98 114.66 2wbj s PHE 18 Ca 0.07 -0.40 -0.02 0.00 -0.60 0.00 0.00 56.93 55.98 2wbj s PHE 18 Cb -0.12 -1.34 0.00 0.00 0.51 0.00 0.00 43.02 42.07 2wbj s PHE 18 CO -0.00 0.01 0.39 -1.71 0.70 0.00 0.00 175.22 174.61 2wbj n ASN 19 N 2.28 -0.46 0.00 1.36 5.15 -1.26 -2.85 115.26 119.49 2wbj n ASN 19 Ca -0.16 -1.04 0.00 0.00 -0.60 0.00 0.00 54.58 52.78 2wbj n ASN 19 Cb 0.52 -2.89 0.00 0.00 -0.53 0.00 0.00 39.78 36.88 2wbj n ASN 19 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2wbj n GLY 20 N -2.04 1.78 0.00 8.20 0.00 -1.26 -3.34 105.19 108.54 2wbj n GLY 20 Ca -0.30 -0.28 0.00 0.00 0.00 0.00 0.00 46.02 45.44 2wbj n GLY 20 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2wbj n THR 21 N 0.00 0.69 -0.15 2.61 -2.24 -1.24 -4.77 114.28 109.19 2wbj n THR 21 Ca 0.00 -0.83 -0.03 0.00 -2.27 0.00 0.00 64.05 60.92 2wbj n THR 21 Cb 0.00 0.66 0.18 0.00 -2.10 0.00 0.00 70.33 69.07 2wbj n THR 21 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 2wbj h GLU 22 N 0.00 0.87 -4.83 -0.78 4.57 -1.53 -3.40 114.58 109.48 2wbj h GLU 22 Ca 0.00 -0.17 -0.54 0.00 -1.18 0.00 0.00 59.36 57.47 2wbj h GLU 22 Cb 0.37 -0.13 -0.33 0.00 -0.16 0.00 0.00 28.75 28.50 2wbj h GLU 22 CO 0.00 0.77 -0.83 0.50 -1.18 0.00 0.00 179.01 178.27 2wbj s ARG 23 N -5.27 1.87 -0.02 1.92 3.52 -1.13 -5.05 118.95 114.79 2wbj s ARG 23 Ca -0.10 -0.52 0.03 0.00 -0.13 0.00 0.00 55.73 55.01 2wbj s ARG 23 Cb 0.16 -1.54 0.00 0.00 -1.56 0.00 0.00 34.95 32.01 2wbj s ARG 23 CO 0.80 0.10 -0.10 0.08 -0.81 0.00 0.00 175.30 175.37 2wbj s VAL 24 N 0.45 0.87 -0.14 7.11 1.01 -1.26 -0.94 120.40 127.49 2wbj s VAL 24 Ca -0.12 -0.42 0.02 0.00 0.00 0.00 0.00 61.98 61.46 2wbj s VAL 24 Cb -0.15 -0.76 0.02 0.00 0.00 0.00 0.00 36.38 35.49 2wbj s VAL 24 CO 0.04 0.26 -0.18 -0.60 0.00 0.00 0.00 175.10 174.62 2wbj s ARG 25 N 0.10 2.62 -0.18 2.72 3.52 -0.51 -4.97 118.95 122.25 2wbj s ARG 25 Ca -0.02 -0.70 -0.04 0.00 -0.13 0.00 0.00 55.73 54.84 2wbj s ARG 25 Cb -0.08 -2.22 -0.02 0.00 -1.56 0.00 0.00 34.95 31.07 2wbj s ARG 25 CO 0.00 -0.10 -0.03 0.12 -0.81 0.00 0.00 175.30 174.48 2wbj s PHE 26 N 1.08 2.99 -0.09 5.12 5.36 -1.26 -0.41 117.98 130.77 2wbj s PHE 26 Ca -0.03 -0.52 0.01 0.00 -0.96 0.00 0.00 56.93 55.43 2wbj s PHE 26 Cb -0.14 -2.03 -0.02 0.00 -0.34 0.00 0.00 43.02 40.49 2wbj s PHE 26 CO -0.05 -0.24 -0.12 -0.51 -1.46 0.00 0.00 175.22 172.84 2wbj s LEU 27 N 0.84 2.83 -0.30 6.12 2.01 -0.11 -0.98 118.68 129.09 2wbj s LEU 27 Ca -0.01 -0.21 -0.04 0.00 0.01 0.00 0.00 54.13 53.88 2wbj s LEU 27 Cb -0.14 -1.61 0.04 0.00 0.01 0.00 0.00 46.19 44.48 2wbj s LEU 27 CO 0.02 0.27 0.03 -0.62 1.01 0.00 0.00 176.35 177.06 2wbj s ASP 28 N -0.26 4.95 -0.05 2.29 -1.08 0.34 -1.08 116.67 121.77 2wbj s ASP 28 Ca 0.02 -1.08 0.04 0.00 -0.52 0.00 0.00 52.55 51.01 2wbj s ASP 28 Cb -0.13 -1.77 0.00 0.00 -1.46 0.00 0.00 42.92 39.56 2wbj s ASP 28 CO 0.03 -0.25 -0.17 -0.13 0.52 0.00 0.00 175.17 175.17 2wbj s ARG 29 N 1.35 1.92 -0.07 4.34 0.52 0.59 -0.49 118.95 127.12 2wbj s ARG 29 Ca -0.02 -0.60 0.04 0.00 -0.52 0.00 0.00 55.73 54.63 2wbj s ARG 29 Cb -0.19 -1.62 0.00 0.00 0.52 0.00 0.00 34.95 33.67 2wbj s ARG 29 CO -0.00 0.19 -0.19 0.71 0.02 0.00 0.00 175.30 176.03 2wbj s TYR 30 N 0.21 2.02 -0.20 -0.53 1.51 -0.86 0.87 117.35 120.37 2wbj s TYR 30 Ca -0.08 -0.71 -0.00 0.00 -1.01 0.00 0.00 57.07 55.27 2wbj s TYR 30 Cb -0.13 -1.37 0.05 0.00 -0.11 0.00 0.00 41.96 40.40 2wbj s TYR 30 CO 0.03 -0.28 -0.04 -0.06 -1.11 0.00 0.00 175.55 174.10 2wbj s PHE 31 N 0.24 1.92 -0.21 2.71 0.40 0.46 -1.49 117.98 122.02 2wbj s PHE 31 Ca -0.11 -1.37 -0.16 0.00 -0.60 0.00 0.00 56.93 54.70 2wbj s PHE 31 Cb -0.15 -1.40 -0.04 0.00 0.51 0.00 0.00 43.02 41.95 2wbj s PHE 31 CO 0.05 -0.69 0.39 -0.47 0.70 0.00 0.00 175.22 175.19 2wbj s TYR 32 N 1.56 3.37 0.00 0.36 5.04 -0.71 -1.20 117.35 125.77 2wbj s TYR 32 Ca -0.03 0.59 0.00 0.00 -2.44 0.00 0.00 57.07 55.19 2wbj s TYR 32 Cb -0.17 -2.51 0.00 0.00 0.35 0.00 0.00 41.96 39.62 2wbj s TYR 32 CO -0.07 -0.01 0.00 0.09 -1.34 0.00 0.00 175.55 174.22 2wbj n ASN 33 N 4.49 0.00 0.01 4.32 3.02 -0.30 -2.48 115.26 124.32 2wbj n ASN 33 Ca -0.09 0.00 0.02 0.00 -0.03 0.00 0.00 54.58 54.49 2wbj n ASN 33 Cb 0.51 0.00 -0.10 0.00 -0.61 0.00 0.00 39.78 39.58 2wbj n ASN 33 CO 0.00 0.00 0.00 1.67 -2.62 0.00 0.00 177.26 176.31 2wbj n GLN 34 N 14.00 0.64 -2.73 3.52 7.27 -1.26 -4.80 117.38 134.02 2wbj n GLN 34 Ca 0.00 0.08 -0.42 0.00 0.07 0.00 0.00 57.00 56.73 2wbj n GLN 34 Cb 0.00 -1.70 -0.03 0.00 2.41 0.00 0.00 30.24 30.92 2wbj n GLN 34 CO 0.00 0.00 0.00 -2.00 0.07 0.00 0.00 177.06 175.13 2wbj s GLU 35 N -3.04 4.50 0.57 3.69 2.12 -1.03 -4.99 118.70 120.52 2wbj s GLU 35 Ca -0.05 1.36 -0.20 0.00 0.36 0.00 0.00 54.97 56.44 2wbj s GLU 35 Cb 0.09 -3.49 -0.04 0.00 0.26 0.00 0.00 34.13 30.95 2wbj s GLU 35 CO 0.83 -0.14 1.28 -2.00 -0.54 0.00 0.00 175.26 174.69 2wbj s GLU 36 N 1.38 3.03 0.00 4.30 2.12 -1.26 -1.73 118.70 126.53 2wbj s GLU 36 Ca 0.49 2.04 0.00 0.00 0.36 0.00 0.00 54.97 57.86 2wbj s GLU 36 Cb -0.20 -2.09 0.00 0.00 0.26 0.00 0.00 34.13 32.10 2wbj s GLU 36 CO 0.23 -1.22 0.00 -1.13 -0.54 0.00 0.00 175.26 172.61 2wbj n SER 37 N -1.31 0.65 -3.86 -1.70 3.41 -0.55 -4.25 113.62 106.00 2wbj n SER 37 Ca 0.12 0.00 -0.12 0.00 -0.26 0.00 0.00 58.87 58.62 2wbj n SER 37 Cb 0.47 0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 64.31 2wbj n SER 37 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2wbj s VAL 38 N -1.92 0.04 -0.04 -3.33 0.11 -1.25 0.46 120.40 114.48 2wbj s VAL 38 Ca 0.00 -0.37 -0.06 0.00 -2.93 0.00 0.00 61.98 58.63 2wbj s VAL 38 Cb 0.00 -0.30 0.01 0.00 -1.53 0.00 0.00 36.38 34.56 2wbj s VAL 38 CO 0.00 -0.20 0.14 0.00 -3.33 0.00 0.00 175.10 171.71 2wbj s ARG 39 N -0.66 0.28 -0.12 1.54 1.70 -0.46 -2.03 118.95 119.19 2wbj s ARG 39 Ca -0.07 -0.00 -0.10 0.00 -0.47 0.00 0.00 55.73 55.08 2wbj s ARG 39 Cb -0.04 0.12 -0.05 0.00 -0.57 0.00 0.00 34.95 34.41 2wbj s ARG 39 CO 0.01 -0.05 0.22 0.12 -1.08 0.00 0.00 175.30 174.51 2wbj s PHE 40 N -0.42 3.56 -0.16 5.89 2.19 0.36 -0.94 117.98 128.45 2wbj s PHE 40 Ca -0.05 0.59 -0.01 0.00 0.33 0.00 0.00 56.93 57.79 2wbj s PHE 40 Cb -0.03 -2.13 0.04 0.00 -1.31 0.00 0.00 43.02 39.59 2wbj s PHE 40 CO 0.01 0.53 -0.04 0.34 1.83 0.00 0.00 175.22 177.88 2wbj s ASP 41 N -0.45 2.68 0.51 6.13 -1.08 -1.26 -0.50 116.67 122.70 2wbj s ASP 41 Ca 0.15 -0.60 0.25 0.00 -0.52 0.00 0.00 52.55 51.84 2wbj s ASP 41 Cb -0.13 -0.83 1.35 0.00 -1.46 0.00 0.00 42.92 41.85 2wbj s ASP 41 CO 0.04 -0.19 1.94 0.77 0.52 0.00 0.00 175.17 178.25 2wbj h SER 42 N 8.15 0.09 0.99 -0.34 4.64 -1.43 0.46 113.55 126.11 2wbj h SER 42 Ca -0.23 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.09 2wbj h SER 42 Cb 1.11 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 63.19 2wbj h SER 42 CO 0.38 0.04 -0.07 0.47 -0.87 0.00 0.00 176.83 176.78 2wbj n ASP 43 N -4.37 0.17 -0.13 4.97 8.00 -1.26 -3.90 116.55 120.03 2wbj n ASP 43 Ca 0.14 0.41 -0.27 0.00 0.71 0.00 0.00 54.79 55.78 2wbj n ASP 43 Cb 0.71 -0.43 -0.11 0.00 -0.02 0.00 0.00 41.12 41.28 2wbj n ASP 43 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 2wbj n VAL 44 N -1.60 1.53 0.00 2.53 0.31 0.15 -5.04 118.33 116.21 2wbj n VAL 44 Ca 0.07 -0.35 0.00 0.00 -0.01 0.00 0.00 64.34 64.04 2wbj n VAL 44 Cb 0.35 -1.85 0.00 0.00 -0.91 0.00 0.00 33.84 31.43 2wbj n VAL 44 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2wbj n GLY 45 N 1.43 2.97 2.87 2.92 0.00 -0.22 -5.05 105.19 110.11 2wbj n GLY 45 Ca -0.49 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.34 2wbj n GLY 45 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2wbj n GLU 46 N -1.25 0.43 -2.66 1.61 0.28 -1.26 -4.94 120.64 112.86 2wbj n GLU 46 Ca 0.00 -2.97 -0.40 0.00 -0.16 0.00 0.00 57.16 53.63 2wbj n GLU 46 Cb 0.00 2.19 -0.05 0.00 1.43 0.00 0.00 31.44 35.01 2wbj n GLU 46 CO 0.00 0.00 0.00 -0.06 -0.16 0.00 0.00 177.13 176.91 2wbj s PHE 47 N -3.11 3.82 -0.01 -1.84 0.40 -1.26 -4.02 117.98 111.96 2wbj s PHE 47 Ca 0.30 1.83 0.06 0.00 -0.60 0.00 0.00 56.93 58.53 2wbj s PHE 47 Cb 0.01 -3.08 -0.02 0.00 0.51 0.00 0.00 43.02 40.45 2wbj s PHE 47 CO 0.21 0.09 -0.20 1.03 0.70 0.00 0.00 175.22 177.05 2wbj s ARG 48 N -1.35 1.64 0.28 0.44 1.81 -0.12 -4.92 118.95 116.74 2wbj s ARG 48 Ca 0.43 -0.73 -0.29 0.00 -1.72 0.00 0.00 55.73 53.42 2wbj s ARG 48 Cb -0.27 -1.59 -0.10 0.00 -0.45 0.00 0.00 34.95 32.54 2wbj s ARG 48 CO 0.34 0.44 1.15 0.00 -0.68 0.00 0.00 175.30 176.55 2wbj s ALA 49 N -0.48 3.43 -0.03 2.13 0.00 -1.26 -1.36 121.76 124.19 2wbj s ALA 49 Ca 0.08 0.97 0.10 0.00 0.00 0.00 0.00 51.96 53.11 2wbj s ALA 49 Cb -0.08 -3.36 -0.15 0.00 0.00 0.00 0.00 23.12 19.53 2wbj s ALA 49 CO -0.01 -0.27 0.18 1.33 0.00 0.00 0.00 175.76 177.00 2wbj n VAL 50 N 1.22 0.10 -4.38 0.00 0.24 0.17 -4.94 118.33 110.74 2wbj n VAL 50 Ca -0.00 -0.25 -0.19 0.00 -2.04 0.00 0.00 64.34 61.85 2wbj n VAL 50 Cb 0.44 0.10 -0.10 0.00 -1.47 0.00 0.00 33.84 32.81 2wbj n VAL 50 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 2wbj s THR 51 N -2.61 1.50 0.57 3.34 -4.23 -1.04 -4.96 115.64 108.22 2wbj s THR 51 Ca -0.04 -2.12 0.32 0.00 -1.18 0.00 0.00 61.69 58.68 2wbj s THR 51 Cb 0.06 -2.32 0.36 0.00 1.34 0.00 0.00 72.50 71.94 2wbj s THR 51 CO 0.40 -0.38 2.24 -0.33 -0.54 0.00 0.00 174.62 176.01 2wbj h GLU 52 N 2.40 0.00 -0.68 3.99 4.39 -1.95 -1.84 114.58 120.89 2wbj h GLU 52 Ca -0.39 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.28 2wbj h GLU 52 Cb 1.23 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.85 2wbj h GLU 52 CO 0.65 0.02 0.33 1.25 -1.16 0.00 0.00 179.01 180.10 2wbj h LEU 53 N 0.00 0.89 -0.02 1.33 5.85 -1.96 -3.11 115.31 118.28 2wbj h LEU 53 Ca -0.00 -0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.59 2wbj h LEU 53 Cb 0.06 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 40.86 2wbj h LEU 53 CO 0.00 0.77 -0.01 0.61 -0.34 0.00 0.00 178.44 179.47 2wbj n GLY 54 N -0.96 -1.21 0.25 3.75 0.00 -0.70 -4.26 105.19 102.06 2wbj n GLY 54 Ca 0.05 -0.16 -0.14 0.00 0.00 0.00 0.00 46.02 45.77 2wbj n GLY 54 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 2wbj h ARG 55 N 0.04 -0.46 -0.01 1.61 2.43 -1.57 -1.12 114.38 115.31 2wbj h ARG 55 Ca 0.00 0.03 -0.04 0.00 -0.81 0.00 0.00 59.98 59.16 2wbj h ARG 55 Cb 0.24 0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 29.89 2wbj h ARG 55 CO 0.00 -0.31 -0.18 -1.00 -1.51 0.00 0.00 179.97 176.97 2wbj h PRO 56 N -0.48 0.01 -0.09 0.20 0.13 -1.81 0.69 132.00 130.65 2wbj h PRO 56 Ca -0.01 -0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.11 2wbj h PRO 56 Cb 0.43 -0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.56 2wbj h PRO 56 CO -0.03 0.20 0.01 -0.44 -0.23 0.00 0.00 178.00 177.51 2wbj h ASP 57 N 0.01 0.14 -0.18 1.44 3.32 -1.76 -2.33 116.42 117.07 2wbj h ASP 57 Ca 0.00 -0.28 -0.00 0.00 0.02 0.00 0.00 57.03 56.77 2wbj h ASP 57 Cb 0.34 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 39.84 2wbj h ASP 57 CO 0.02 0.39 0.10 0.00 -1.72 0.00 0.00 179.24 178.03 2wbj h ALA 58 N 0.76 0.23 -0.97 3.45 0.00 -0.60 -1.94 119.26 120.20 2wbj h ALA 58 Ca 0.03 -0.06 0.04 0.00 0.00 0.00 0.00 54.91 54.91 2wbj h ALA 58 Cb 0.31 -0.07 -0.06 0.00 0.00 0.00 0.00 17.79 17.97 2wbj h ALA 58 CO 0.00 -0.23 0.63 0.93 0.00 0.00 0.00 179.25 180.59 2wbj h GLU 59 N 0.19 1.18 0.15 0.00 5.08 -0.91 -2.03 114.58 118.24 2wbj h GLU 59 Ca 0.06 -0.07 -0.31 0.00 -1.00 0.00 0.00 59.36 58.04 2wbj h GLU 59 Cb 0.08 -0.27 0.00 0.00 0.50 0.00 0.00 28.75 29.07 2wbj h GLU 59 CO -0.01 0.78 -1.49 -0.92 -1.00 0.00 0.00 179.01 176.37 2wbj h TYR 60 N 1.21 0.58 -0.16 4.33 3.20 -1.28 -3.20 116.97 121.65 2wbj h TYR 60 Ca 0.39 -0.42 -0.12 0.00 3.14 0.00 0.00 58.73 61.72 2wbj h TYR 60 Cb 0.03 -0.02 -0.01 0.00 1.54 0.00 0.00 36.73 38.26 2wbj h TYR 60 CO -0.00 1.42 -0.41 -1.49 -1.64 0.00 0.00 178.16 176.05 2wbj h TRP 61 N 0.09 0.44 0.00 -3.82 6.55 -1.30 -2.89 115.95 115.02 2wbj h TRP 61 Ca -0.23 -0.12 -0.02 0.00 0.95 0.00 0.00 58.89 59.47 2wbj h TRP 61 Cb 2.04 -0.10 -0.00 0.00 -0.86 0.00 0.00 29.16 30.24 2wbj h TRP 61 CO 0.08 0.73 -0.09 -0.91 -1.05 0.00 0.00 178.44 177.19 2wbj h ASN 62 N 0.31 0.00 -0.07 -3.49 2.35 -1.40 -2.85 115.58 110.43 2wbj h ASN 62 Ca 0.03 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.78 2wbj h ASN 62 Cb 0.85 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.22 2wbj h ASN 62 CO 0.07 0.09 0.00 -1.54 -1.65 0.00 0.00 177.43 174.40 2wbj n SER 63 N -3.52 1.15 -4.21 5.81 3.41 -1.09 -4.73 113.62 110.44 2wbj n SER 63 Ca -0.02 -1.50 -0.36 0.00 -0.26 0.00 0.00 58.87 56.73 2wbj n SER 63 Cb 0.22 -0.04 -0.13 0.00 -0.26 0.00 0.00 64.21 64.01 2wbj n SER 63 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 2wbj s GLN 64 N -1.92 2.43 0.26 4.33 -0.21 -1.07 -4.99 119.66 118.49 2wbj s GLN 64 Ca 0.36 -1.35 -0.01 0.00 0.02 0.00 0.00 55.36 54.38 2wbj s GLN 64 Cb 0.19 -3.39 0.53 0.00 1.00 0.00 0.00 33.01 31.33 2wbj s GLN 64 CO 0.30 -0.74 1.76 1.57 -2.12 0.00 0.00 175.29 176.06 2wbj h LYS 65 N 8.11 0.60 -0.05 2.91 2.10 -1.87 -2.23 116.57 126.15 2wbj h LYS 65 Ca -0.20 -0.04 -0.13 0.00 -2.00 0.00 0.00 60.65 58.28 2wbj h LYS 65 Cb 1.07 -0.14 0.01 0.00 -0.90 0.00 0.00 32.23 32.27 2wbj h LYS 65 CO 0.60 0.40 -0.47 0.38 -2.00 0.00 0.00 179.45 178.36 2wbj h ASP 66 N 0.62 0.50 -0.77 7.07 2.03 -1.95 -0.16 116.42 123.76 2wbj h ASP 66 Ca 0.46 -0.70 0.06 0.00 -0.73 0.00 0.00 57.03 56.12 2wbj h ASP 66 Cb 0.65 -0.15 -0.06 0.00 -0.83 0.00 0.00 39.33 38.94 2wbj h ASP 66 CO -0.36 1.12 0.46 0.40 -1.03 0.00 0.00 179.24 179.84 2wbj h ILE 67 N -0.08 1.02 -0.55 4.15 2.04 -1.86 0.76 117.51 122.98 2wbj h ILE 67 Ca -0.05 -0.29 -0.07 0.00 1.00 0.00 0.00 64.86 65.45 2wbj h ILE 67 Cb 1.15 0.09 -0.02 0.00 -0.74 0.00 0.00 36.82 37.30 2wbj h ILE 67 CO 0.10 0.16 0.05 0.25 0.00 0.00 0.00 178.15 178.70 2wbj h LEU 68 N 0.85 0.91 -0.75 1.44 5.85 -1.36 -1.01 115.31 121.25 2wbj h LEU 68 Ca 0.34 -0.28 -0.06 0.00 0.84 0.00 0.00 57.88 58.72 2wbj h LEU 68 Cb 0.17 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 40.92 2wbj h LEU 68 CO -0.17 0.96 0.23 -0.33 -0.34 0.00 0.00 178.44 178.79 2wbj h GLU 69 N 0.82 1.16 -0.01 1.25 5.08 -0.48 -2.06 114.58 120.34 2wbj h GLU 69 Ca 0.16 -0.25 -0.00 0.00 -1.00 0.00 0.00 59.36 58.27 2wbj h GLU 69 Cb 0.46 -0.17 -0.00 0.00 0.50 0.00 0.00 28.75 29.55 2wbj h GLU 69 CO 0.02 0.99 0.00 1.96 -1.00 0.00 0.00 179.01 180.98 2wbj h GLN 70 N 1.11 0.02 -0.88 2.33 4.20 -0.74 -2.46 115.11 118.69 2wbj h GLN 70 Ca 0.24 -0.00 0.08 0.00 0.06 0.00 0.00 58.65 59.03 2wbj h GLN 70 Cb 0.32 -0.00 -0.07 0.00 0.30 0.00 0.00 27.48 28.02 2wbj h GLN 70 CO -0.01 0.22 0.54 0.00 -0.67 0.00 0.00 178.83 178.91 2wbj h ALA 71 N 0.80 1.24 0.00 3.87 0.00 -1.11 -1.23 119.26 122.84 2wbj h ALA 71 Ca 0.00 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 2wbj h ALA 71 Cb 0.21 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 2wbj h ALA 71 CO -0.00 0.23 -0.09 0.00 0.00 0.00 0.00 179.25 179.39 2wbj h ARG 72 N 0.93 0.00 0.00 0.00 3.08 -1.32 -2.98 114.38 114.10 2wbj h ARG 72 Ca 0.40 0.00 -0.11 0.00 0.07 0.00 0.00 59.98 60.34 2wbj h ARG 72 Cb 0.28 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.31 2wbj h ARG 72 CO -0.21 0.09 -0.75 0.00 -1.07 0.00 0.00 179.97 178.04 2wbj h ALA 73 N 1.91 0.67 -1.01 0.04 0.00 -0.75 -3.38 119.26 116.73 2wbj h ALA 73 Ca -0.00 -0.52 0.24 0.00 0.00 0.00 0.00 54.91 54.63 2wbj h ALA 73 Cb 0.66 0.02 -0.11 0.00 0.00 0.00 0.00 17.79 18.37 2wbj h ALA 73 CO 0.01 0.65 0.63 0.00 0.00 0.00 0.00 179.25 180.54 2wbj h ALA 74 N 1.52 1.94 -0.94 0.00 0.00 -1.27 0.20 119.26 120.72 2wbj h ALA 74 Ca -0.05 0.08 0.14 0.00 0.00 0.00 0.00 54.91 55.09 2wbj h ALA 74 Cb 1.41 -0.01 -0.08 0.00 0.00 0.00 0.00 17.79 19.11 2wbj h ALA 74 CO 0.05 -0.35 0.60 -0.24 0.00 0.00 0.00 179.25 179.31 2wbj h VAL 75 N 0.55 0.84 0.01 0.00 3.04 -1.79 0.17 116.25 119.07 2wbj h VAL 75 Ca 0.60 -0.27 -0.33 0.00 -1.01 0.00 0.00 66.70 65.70 2wbj h VAL 75 Cb 1.24 -0.00 -0.05 0.00 -2.01 0.00 0.00 31.29 30.46 2wbj h VAL 75 CO -0.37 0.14 -1.80 0.47 -1.01 0.00 0.00 177.57 175.00 2wbj n ASP 76 N -4.60 1.92 -0.03 3.17 8.00 -0.08 -2.61 116.55 122.32 2wbj n ASP 76 Ca 0.19 0.36 0.14 0.00 0.71 0.00 0.00 54.79 56.19 2wbj n ASP 76 Cb 0.46 -0.89 0.66 0.00 -0.02 0.00 0.00 41.12 41.33 2wbj n ASP 76 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 2wbj n THR 77 N -4.26 0.00 0.10 -3.53 -2.24 0.51 -3.04 114.28 101.82 2wbj n THR 77 Ca -0.40 -0.02 0.00 0.00 -2.27 0.00 0.00 64.05 61.36 2wbj n THR 77 Cb 0.79 -0.35 0.00 0.00 -2.10 0.00 0.00 70.33 68.67 2wbj n THR 77 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2wbj n TYR 78 N -1.26 -1.59 0.42 4.78 9.36 0.37 -4.70 117.16 124.53 2wbj n TYR 78 Ca 0.12 0.28 -0.17 0.00 3.32 0.00 0.00 57.90 61.46 2wbj n TYR 78 Cb 0.28 0.40 -0.08 0.00 -0.63 0.00 0.00 39.34 39.31 2wbj n TYR 78 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 2wbj h ARG 80 N -1.17 0.83 -0.03 0.00 3.08 -1.58 -0.83 114.38 114.67 2wbj h ARG 80 Ca -0.11 -0.17 0.01 0.00 0.07 0.00 0.00 59.98 59.77 2wbj h ARG 80 Cb 0.83 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 30.73 2wbj h ARG 80 CO 0.18 0.76 -0.15 1.25 -1.07 0.00 0.00 179.97 180.93 2wbj h HIS 81 N 0.80 -0.46 -0.89 3.04 2.76 -1.54 -2.95 115.15 115.92 2wbj h HIS 81 Ca 0.17 0.02 0.09 0.00 -2.20 0.00 0.00 60.37 58.45 2wbj h HIS 81 Cb 0.31 0.20 -0.07 0.00 1.55 0.00 0.00 27.41 29.40 2wbj h HIS 81 CO 0.02 -0.16 0.54 -0.91 -1.30 0.00 0.00 177.93 176.12 2wbj h ASN 82 N -0.17 0.80 -0.16 3.26 2.35 -0.11 -2.10 115.58 119.45 2wbj h ASN 82 Ca 0.01 0.04 0.05 0.00 -0.55 0.00 0.00 56.30 55.84 2wbj h ASN 82 Cb 0.19 -0.12 -0.07 0.00 0.05 0.00 0.00 38.32 38.37 2wbj h ASN 82 CO -0.12 0.47 -0.40 0.22 -1.65 0.00 0.00 177.43 175.95 2wbj h TYR 83 N 0.91 -1.14 0.00 1.19 5.03 -1.20 -1.08 116.97 120.69 2wbj h TYR 83 Ca 0.42 0.05 -0.01 0.00 2.58 0.00 0.00 58.73 61.77 2wbj h TYR 83 Cb 0.32 0.52 -0.00 0.00 1.55 0.00 0.00 36.73 39.13 2wbj h TYR 83 CO -0.04 -0.46 -0.03 0.78 -1.32 0.00 0.00 178.16 177.10 2wbj h GLY 84 N -0.45 0.00 0.37 1.82 0.00 -1.21 0.45 103.07 104.06 2wbj h GLY 84 Ca 0.09 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.40 2wbj h GLY 84 CO -0.41 0.00 -0.07 -2.08 0.00 0.00 0.00 176.54 173.98 2wbj h VAL 85 N 0.00 1.53 0.00 4.60 2.07 -1.05 -3.36 116.25 120.05 2wbj h VAL 85 Ca -0.00 -1.66 0.00 0.00 0.82 0.00 0.00 66.70 65.86 2wbj h VAL 85 Cb 0.06 2.62 0.00 0.00 -1.52 0.00 0.00 31.29 32.45 2wbj h VAL 85 CO 0.00 0.44 -0.66 1.33 0.02 0.00 0.00 177.57 178.70 2wbj n VAL 86 N -4.69 0.03 -0.10 2.57 0.24 -0.50 -4.54 118.33 111.33 2wbj n VAL 86 Ca -0.09 -0.03 -0.07 0.00 -2.04 0.00 0.00 64.34 62.11 2wbj n VAL 86 Cb 0.38 0.40 -0.00 0.00 -1.47 0.00 0.00 33.84 33.15 2wbj n VAL 86 CO 0.00 0.00 0.00 -0.08 -2.14 0.00 0.00 176.83 174.61 2wbj h GLU 87 N 0.00 -0.18 -0.95 7.34 4.81 -0.26 -2.11 114.58 123.23 2wbj h GLU 87 Ca 0.00 0.01 0.18 0.00 -0.13 0.00 0.00 59.36 59.42 2wbj h GLU 87 Cb 0.53 0.04 -0.17 0.00 0.63 0.00 0.00 28.75 29.77 2wbj h GLU 87 CO 0.00 -0.12 -0.27 0.45 -0.73 0.00 0.00 179.01 178.34 2wbj n SER 88 N -5.39 -0.40 -0.63 1.04 2.88 -1.26 -1.79 113.62 108.07 2wbj n SER 88 Ca 0.01 1.64 0.06 0.00 -1.33 0.00 0.00 58.87 59.25 2wbj n SER 88 Cb 0.30 -0.47 0.14 0.00 -0.75 0.00 0.00 64.21 63.43 2wbj n SER 88 CO 0.00 0.00 0.00 2.22 -1.23 0.00 0.00 175.04 176.03 2wbj n PHE 89 N -5.51 0.38 0.06 0.66 -1.74 -0.84 -4.03 117.46 106.45 2wbj n PHE 89 Ca 0.14 -0.40 0.00 0.00 -0.56 0.00 0.00 57.45 56.63 2wbj n PHE 89 Cb 0.45 -0.02 0.00 0.00 1.52 0.00 0.00 39.48 41.43 2wbj n PHE 89 CO 0.00 0.00 0.00 0.25 -0.56 0.00 0.00 176.76 176.45 2wbj n THR 90 N 0.58 0.94 0.02 1.97 -2.24 -0.95 -4.48 114.28 110.13 2wbj n THR 90 Ca 0.11 0.31 -0.02 0.00 -2.27 0.00 0.00 64.05 62.18 2wbj n THR 90 Cb 0.40 -1.36 0.25 0.00 -2.10 0.00 0.00 70.33 67.53 2wbj n THR 90 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 2wbj h VAL 91 N 0.00 1.24 -0.53 2.28 2.07 -1.55 -3.03 116.25 116.73 2wbj h VAL 91 Ca 0.00 -1.08 0.00 0.00 0.82 0.00 0.00 66.70 66.44 2wbj h VAL 91 Cb 0.00 1.22 0.00 0.00 -1.52 0.00 0.00 31.29 30.99 2wbj h VAL 91 CO 0.00 0.35 0.00 0.00 0.02 0.00 0.00 177.57 177.94 2wbj n GLN 92 N -4.18 2.62 -2.00 1.57 6.02 -1.06 -4.97 117.38 115.38 2wbj n GLN 92 Ca 0.00 -2.36 -0.42 0.00 -0.01 0.00 0.00 57.00 54.22 2wbj n GLN 92 Cb 0.35 -1.46 -0.03 0.00 1.02 0.00 0.00 30.24 30.12 2wbj n GLN 92 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 177.06 176.55 2wbj s ARG 93 N -1.10 4.25 -0.13 -1.09 3.52 -1.15 -4.95 118.95 118.30 2wbj s ARG 93 Ca 0.38 2.29 -0.04 0.00 -0.13 0.00 0.00 55.73 58.24 2wbj s ARG 93 Cb 0.21 -3.16 0.06 0.00 -1.56 0.00 0.00 34.95 30.50 2wbj s ARG 93 CO 0.28 -0.52 0.18 1.03 -0.81 0.00 0.00 175.30 175.46 2wbj s ARG 94 N 0.66 0.09 -0.13 5.12 0.52 -1.26 -4.31 118.95 119.64 2wbj s ARG 94 Ca 0.66 0.41 0.01 0.00 -0.52 0.00 0.00 55.73 56.28 2wbj s ARG 94 Cb -0.42 -0.68 0.02 0.00 0.52 0.00 0.00 34.95 34.39 2wbj s ARG 94 CO 0.35 -0.44 -0.15 0.08 0.02 0.00 0.00 175.30 175.16 2wbj s VAL 95 N 2.30 1.55 0.24 3.52 1.01 0.29 -4.95 120.40 124.35 2wbj s VAL 95 Ca 0.04 -0.64 -0.31 0.00 0.00 0.00 0.00 61.98 61.07 2wbj s VAL 95 Cb -0.13 -1.44 -0.12 0.00 0.00 0.00 0.00 36.38 34.68 2wbj s VAL 95 CO -0.08 0.45 1.60 0.00 0.00 0.00 0.00 175.10 177.07 2wbj n GLN 96 N 4.58 2.51 -1.75 2.72 6.02 -1.26 -2.05 117.38 128.15 2wbj n GLN 96 Ca -0.18 0.90 -0.33 0.00 -0.01 0.00 0.00 57.00 57.39 2wbj n GLN 96 Cb 0.50 -2.68 0.05 0.00 1.02 0.00 0.00 30.24 29.13 2wbj n GLN 96 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 2wbj s PRO 97 N 0.20 2.84 -0.20 -1.09 0.04 -1.26 -4.42 135.00 131.10 2wbj s PRO 97 Ca 0.70 1.33 -0.06 0.00 0.04 0.00 0.00 61.00 63.01 2wbj s PRO 97 Cb -0.56 -1.96 -0.03 0.00 0.04 0.00 0.00 34.50 32.00 2wbj s PRO 97 CO 0.42 -1.21 0.03 0.15 0.04 0.00 0.00 177.00 176.43 2wbj s LYS 98 N -4.20 3.71 -0.35 4.56 1.02 -0.24 -4.92 119.74 119.31 2wbj s LYS 98 Ca 0.66 -0.47 -0.05 0.00 0.02 0.00 0.00 55.97 56.12 2wbj s LYS 98 Cb -0.19 -3.15 0.06 0.00 -0.52 0.00 0.00 37.83 34.02 2wbj s LYS 98 CO 0.43 0.04 0.11 0.08 -0.92 0.00 0.00 175.35 175.09 2wbj s VAL 99 N 0.95 3.54 -0.08 3.17 1.01 -1.26 -2.24 120.40 125.50 2wbj s VAL 99 Ca 0.02 -1.37 -0.02 0.00 0.00 0.00 0.00 61.98 60.62 2wbj s VAL 99 Cb -0.14 -3.09 -0.03 0.00 0.00 0.00 0.00 36.38 33.11 2wbj s VAL 99 CO 0.02 -0.27 0.01 -0.89 0.00 0.00 0.00 175.10 173.97 2wbj s THR 100 N 1.32 4.35 -0.10 3.92 2.01 0.70 -4.90 115.64 122.95 2wbj s THR 100 Ca -0.01 -0.27 0.03 0.00 0.31 0.00 0.00 61.69 61.75 2wbj s THR 100 Cb -0.20 -2.85 0.01 0.00 0.01 0.00 0.00 72.50 69.46 2wbj s THR 100 CO 0.01 0.58 -0.19 -0.69 -0.69 0.00 0.00 174.62 173.63 2wbj s VAL 101 N -0.92 1.75 0.01 3.82 1.01 -1.26 0.62 120.40 125.44 2wbj s VAL 101 Ca 0.14 -0.82 -0.01 0.00 0.00 0.00 0.00 61.98 61.29 2wbj s VAL 101 Cb -0.11 -1.54 -0.01 0.00 0.00 0.00 0.00 36.38 34.71 2wbj s VAL 101 CO 0.03 0.49 -0.00 -0.72 0.00 0.00 0.00 175.10 174.90 2wbj s TYR 102 N 0.60 0.20 0.62 5.22 -0.85 -0.74 -5.00 117.35 117.41 2wbj s TYR 102 Ca -0.14 -0.42 -0.15 0.00 -0.52 0.00 0.00 57.07 55.84 2wbj s TYR 102 Cb -0.17 -0.15 -0.02 0.00 0.38 0.00 0.00 41.96 42.00 2wbj s TYR 102 CO 0.04 -0.19 1.07 -1.25 -1.52 0.00 0.00 175.55 173.71 2wbj s PRO 103 N -1.31 3.13 0.15 -3.49 0.04 -1.26 -0.87 135.00 131.38 2wbj s PRO 103 Ca -0.14 1.22 0.02 0.00 0.04 0.00 0.00 61.00 62.14 2wbj s PRO 103 Cb -0.09 -2.01 -0.01 0.00 0.04 0.00 0.00 34.50 32.44 2wbj s PRO 103 CO -0.01 -0.96 0.15 0.45 0.04 0.00 0.00 177.00 176.67 2wbj n SER 104 N -2.27 -0.39 0.03 6.66 2.88 0.11 -4.86 113.62 115.78 2wbj n SER 104 Ca 0.09 -1.92 -0.00 0.00 -1.33 0.00 0.00 58.87 55.71 2wbj n SER 104 Cb 0.53 0.83 -0.00 0.00 -0.75 0.00 0.00 64.21 64.82 2wbj n SER 104 CO 0.00 0.00 0.00 2.29 -1.23 0.00 0.00 175.04 176.10 2wbj n LYS 105 N -0.27 0.01 -3.61 -1.46 0.00 -1.26 -1.87 118.16 109.69 2wbj n LYS 105 Ca 0.03 0.00 -0.26 0.00 -0.00 0.00 0.00 58.31 58.08 2wbj n LYS 105 Cb 0.26 -0.33 -0.02 0.00 -0.00 0.00 0.00 35.03 34.94 2wbj n LYS 105 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.40 177.65 2wbj n THR 106 N -3.15 -0.72 -1.28 0.58 -2.24 -1.26 -4.08 114.28 102.12 2wbj n THR 106 Ca -0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 2wbj n THR 106 Cb 0.01 -1.37 0.00 0.00 -2.10 0.00 0.00 70.33 66.86 2wbj n THR 106 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2wbj n GLN 107 N -3.76 0.00 0.00 -0.78 1.13 -1.26 -5.11 117.38 107.61 2wbj n GLN 107 Ca 0.03 0.43 0.00 0.00 -1.94 0.00 0.00 57.00 55.51 2wbj n GLN 107 Cb 0.51 -0.86 0.00 0.00 0.11 0.00 0.00 30.24 30.01 2wbj n GLN 107 CO 0.00 0.00 0.00 -0.35 -1.44 0.00 0.00 177.06 175.27 2wbj n PRO 108 N 0.06 0.00 -0.17 -1.09 -0.04 -1.26 -5.07 135.00 127.43 2wbj n PRO 108 Ca 0.00 0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 63.45 2wbj n PRO 108 Cb 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.46 2wbj n PRO 108 CO 0.00 0.00 0.00 -2.39 -0.04 0.00 0.00 175.50 173.07 2wbj n HIS 111 N 0.00 -0.28 -4.20 0.54 -0.00 -1.26 -5.18 115.22 104.83 2wbj n HIS 111 Ca 0.00 0.15 -0.11 0.00 -0.00 0.00 0.00 57.72 57.76 2wbj n HIS 111 Cb 0.00 -0.30 -0.02 0.00 -0.00 0.00 0.00 29.99 29.67 2wbj n HIS 111 CO 0.00 0.00 0.00 -2.39 -0.00 0.00 0.00 176.34 173.95 2wbj n HIS 112 N -0.66 0.26 0.10 -1.40 -0.00 -1.26 -5.11 115.22 107.14 2wbj n HIS 112 Ca -0.00 -0.87 0.01 0.00 -0.00 0.00 0.00 57.72 56.86 2wbj n HIS 112 Cb 0.02 -0.12 0.01 0.00 -0.00 0.00 0.00 29.99 29.89 2wbj n HIS 112 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 176.34 176.43 2wbj n ASN 113 N -1.19 1.03 -3.63 4.39 3.02 -0.78 -4.54 115.26 113.56 2wbj n ASN 113 Ca -0.07 -1.02 -0.14 0.00 -0.03 0.00 0.00 54.58 53.33 2wbj n ASN 113 Cb 0.22 0.15 -0.06 0.00 -0.61 0.00 0.00 39.78 39.48 2wbj n ASN 113 CO 0.00 0.00 0.00 -1.48 -2.62 0.00 0.00 177.26 173.16 2wbj s LEU 114 N -0.48 0.18 -0.07 3.41 2.34 -1.07 -3.82 118.68 119.17 2wbj s LEU 114 Ca 0.02 0.15 -0.03 0.00 0.06 0.00 0.00 54.13 54.33 2wbj s LEU 114 Cb 0.02 1.90 -0.04 0.00 -0.56 0.00 0.00 46.19 47.51 2wbj s LEU 114 CO 0.04 -0.65 0.07 -0.76 -1.06 0.00 0.00 176.35 173.99 2wbj s LEU 115 N -1.81 3.95 -0.15 1.48 1.43 0.80 0.08 118.68 124.47 2wbj s LEU 115 Ca -0.07 0.26 0.02 0.00 -1.03 0.00 0.00 54.13 53.31 2wbj s LEU 115 Cb -0.01 -2.04 0.01 0.00 0.03 0.00 0.00 46.19 44.17 2wbj s LEU 115 CO 0.00 0.36 -0.20 -0.69 0.23 0.00 0.00 176.35 176.05 2wbj s VAL 116 N -1.03 2.17 -0.31 -1.59 1.01 -0.05 0.23 120.40 120.83 2wbj s VAL 116 Ca 0.17 -0.93 -0.13 0.00 0.00 0.00 0.00 61.98 61.08 2wbj s VAL 116 Cb -0.12 -1.88 -0.03 0.00 0.00 0.00 0.00 36.38 34.35 2wbj s VAL 116 CO 0.06 0.54 0.26 0.00 0.00 0.00 0.00 175.10 175.97 2wbj s SER 118 N 1.73 5.01 -0.22 0.00 0.15 0.20 -1.10 113.70 119.47 2wbj s SER 118 Ca 0.09 -0.29 0.02 0.00 0.70 0.00 0.00 55.95 56.46 2wbj s SER 118 Cb -0.16 -1.89 0.04 0.00 -1.71 0.00 0.00 66.02 62.30 2wbj s SER 118 CO 0.11 -0.05 -0.13 -0.69 1.20 0.00 0.00 173.24 173.68 2wbj s VAL 119 N 1.58 1.97 0.08 4.45 1.01 -0.77 -0.22 120.40 128.50 2wbj s VAL 119 Ca 0.06 -1.26 0.04 0.00 0.00 0.00 0.00 61.98 60.82 2wbj s VAL 119 Cb -0.15 -1.99 -0.03 0.00 0.00 0.00 0.00 36.38 34.21 2wbj s VAL 119 CO 0.02 0.18 -0.12 -0.94 0.00 0.00 0.00 175.10 174.24 2wbj s SER 120 N 1.24 1.46 -0.27 3.32 1.04 -0.95 -1.02 113.70 118.52 2wbj s SER 120 Ca -0.03 -0.67 -0.01 0.00 0.48 0.00 0.00 55.95 55.72 2wbj s SER 120 Cb -0.17 -0.02 0.00 0.00 0.10 0.00 0.00 66.02 65.94 2wbj s SER 120 CO -0.08 -0.16 0.08 0.61 0.98 0.00 0.00 173.24 174.67 2wbj n GLY 121 N 1.06 0.42 3.74 7.32 0.00 -0.29 -1.08 105.19 116.36 2wbj n GLY 121 Ca -0.20 -0.65 -0.25 0.00 0.00 0.00 0.00 46.02 44.92 2wbj n GLY 121 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2wbj s PHE 122 N -2.54 3.00 -0.17 1.61 -0.71 -1.06 -4.46 117.98 113.65 2wbj s PHE 122 Ca 0.04 -0.09 -0.15 0.00 -1.04 0.00 0.00 56.93 55.69 2wbj s PHE 122 Cb -0.02 -1.42 0.04 0.00 -1.21 0.00 0.00 43.02 40.42 2wbj s PHE 122 CO 0.05 0.53 0.45 -0.47 -1.34 0.00 0.00 175.22 174.44 2wbj s TYR 123 N -1.86 -0.50 0.24 3.49 6.14 -0.87 -0.34 117.35 123.66 2wbj s TYR 123 Ca 0.30 1.21 -0.04 0.00 0.64 0.00 0.00 57.07 59.18 2wbj s TYR 123 Cb -0.09 0.17 0.06 0.00 0.42 0.00 0.00 41.96 42.52 2wbj s TYR 123 CO 0.22 -0.24 0.32 -2.30 0.64 0.00 0.00 175.55 174.19 2wbj n PRO 124 N 2.88 -0.36 -0.06 4.97 -0.02 -1.26 -0.55 135.00 140.60 2wbj n PRO 124 Ca -0.14 -0.50 -0.06 0.00 -2.02 0.00 0.00 63.50 60.78 2wbj n PRO 124 Cb 0.57 -0.34 0.13 0.00 -0.02 0.00 0.00 33.50 33.84 2wbj n PRO 124 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 2wbj h GLY 125 N -0.45 0.74 -5.43 -1.23 0.00 -2.00 -3.45 103.07 91.26 2wbj h GLY 125 Ca -0.11 -0.61 -0.54 0.00 0.00 0.00 0.00 47.33 46.07 2wbj h GLY 125 CO 0.07 0.56 1.16 -1.35 0.00 0.00 0.00 176.54 176.98 2wbj s SER 126 N -6.76 6.52 0.05 0.19 1.04 -1.26 -4.97 113.70 108.51 2wbj s SER 126 Ca -0.09 2.34 -0.12 0.00 0.48 0.00 0.00 55.95 58.57 2wbj s SER 126 Cb 0.13 -2.53 0.01 0.00 0.10 0.00 0.00 66.02 63.73 2wbj s SER 126 CO 0.82 -1.04 0.26 -0.51 0.98 0.00 0.00 173.24 173.75 2wbj s ILE 127 N 4.46 0.10 -0.28 -1.02 2.07 -1.26 -4.57 121.20 120.70 2wbj s ILE 127 Ca 0.80 -0.82 -0.00 0.00 -1.41 0.00 0.00 60.65 59.21 2wbj s ILE 127 Cb -0.36 -1.01 0.08 0.00 0.13 0.00 0.00 42.46 41.30 2wbj s ILE 127 CO 0.34 -0.45 0.05 -0.70 -1.91 0.00 0.00 174.94 172.27 2wbj s GLU 128 N -2.85 0.95 -0.20 3.50 2.56 -0.60 -5.01 118.70 117.06 2wbj s GLU 128 Ca -0.03 -1.01 -0.06 0.00 0.00 0.00 0.00 54.97 53.87 2wbj s GLU 128 Cb 0.00 -2.24 -0.03 0.00 2.00 0.00 0.00 34.13 33.86 2wbj s GLU 128 CO -0.05 -0.84 0.03 0.08 -0.56 0.00 0.00 175.26 173.92 2wbj s VAL 129 N 1.55 4.36 -0.00 3.70 1.01 -1.26 -1.08 120.40 128.68 2wbj s VAL 129 Ca 0.05 -0.18 -0.02 0.00 0.00 0.00 0.00 61.98 61.83 2wbj s VAL 129 Cb -0.18 -2.97 -0.01 0.00 0.00 0.00 0.00 36.38 33.23 2wbj s VAL 129 CO -0.17 0.43 0.03 0.00 0.00 0.00 0.00 175.10 175.40 2wbj s ARG 130 N 0.77 0.22 -0.01 2.72 1.70 -0.62 -5.00 118.95 118.73 2wbj s ARG 130 Ca 0.02 -0.27 -0.09 0.00 -0.47 0.00 0.00 55.73 54.92 2wbj s ARG 130 Cb -0.14 0.09 -0.05 0.00 -0.57 0.00 0.00 34.95 34.28 2wbj s ARG 130 CO 0.02 -0.04 0.29 -1.58 -1.08 0.00 0.00 175.30 172.91 2wbj s TRP 131 N -0.78 3.61 0.00 5.89 0.52 -1.26 -1.24 118.94 125.69 2wbj s TRP 131 Ca -0.09 0.67 0.04 0.00 0.02 0.00 0.00 56.10 56.75 2wbj s TRP 131 Cb -0.05 -2.06 -0.01 0.00 -1.15 0.00 0.00 33.47 30.19 2wbj s TRP 131 CO -0.00 0.63 -0.13 -0.06 0.02 0.00 0.00 176.95 177.41 2wbj s PHE 132 N -1.22 1.17 -0.13 -1.98 0.40 0.94 -2.26 117.98 114.90 2wbj s PHE 132 Ca 0.25 -0.26 -0.02 0.00 -0.60 0.00 0.00 56.93 56.31 2wbj s PHE 132 Cb -0.14 -0.74 0.04 0.00 0.51 0.00 0.00 43.02 42.70 2wbj s PHE 132 CO 0.13 -0.01 0.00 -1.17 0.70 0.00 0.00 175.22 174.88 2wbj s LEU 133 N -0.53 0.98 -1.56 -0.37 2.96 0.36 -0.30 118.68 120.22 2wbj s LEU 133 Ca 0.04 -0.45 -0.03 0.00 -0.22 0.00 0.00 54.13 53.47 2wbj s LEU 133 Cb -0.06 -0.59 0.01 0.00 0.50 0.00 0.00 46.19 46.05 2wbj s LEU 133 CO -0.00 -0.23 0.30 0.59 -1.32 0.00 0.00 176.35 175.69 2wbj n ASN 134 N 5.06 -5.58 0.00 3.68 3.02 -1.26 -2.05 115.26 118.13 2wbj n ASN 134 Ca -0.09 -0.14 0.00 0.00 -0.03 0.00 0.00 54.58 54.32 2wbj n ASN 134 Cb 0.49 -4.59 0.00 0.00 -0.61 0.00 0.00 39.78 35.07 2wbj n ASN 134 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2wbj n GLY 135 N -1.22 2.49 3.81 7.41 0.00 -1.26 -5.04 105.19 111.38 2wbj n GLY 135 Ca -0.16 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.48 2wbj n GLY 135 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2wbj s GLN 136 N -0.63 4.12 -0.08 1.61 -1.52 -0.87 -5.06 119.66 117.23 2wbj s GLN 136 Ca 0.00 0.63 -0.29 0.00 -1.95 0.00 0.00 55.36 53.75 2wbj s GLN 136 Cb 0.00 -3.24 -0.02 0.00 -0.22 0.00 0.00 33.01 29.53 2wbj s GLN 136 CO 0.00 0.63 0.98 -2.00 -0.25 0.00 0.00 175.29 174.65 2wbj s GLU 137 N -1.01 4.45 -1.03 2.91 2.12 -1.26 -0.48 118.70 124.40 2wbj s GLU 137 Ca 0.27 1.36 -0.17 0.00 0.36 0.00 0.00 54.97 56.80 2wbj s GLU 137 Cb -0.18 -3.52 0.15 0.00 0.26 0.00 0.00 34.13 30.83 2wbj s GLU 137 CO 0.17 -0.24 1.23 -1.21 -0.54 0.00 0.00 175.26 174.67 2wbj s GLU 138 N 1.75 3.77 0.09 4.30 0.41 -0.96 -4.87 118.70 123.18 2wbj s GLU 138 Ca 0.48 -2.06 -0.18 0.00 -0.41 0.00 0.00 54.97 52.81 2wbj s GLU 138 Cb -0.19 -4.96 -0.08 0.00 -1.78 0.00 0.00 34.13 27.12 2wbj s GLU 138 CO 0.20 -1.76 1.49 -0.22 -0.49 0.00 0.00 175.26 174.48 2wbj h LYS 139 N 8.23 0.50 -6.27 1.61 1.63 -1.94 -3.44 116.57 116.89 2wbj h LYS 139 Ca 0.21 -0.18 -0.64 0.00 -0.85 0.00 0.00 60.65 59.19 2wbj h LYS 139 Cb 0.97 -0.03 -0.10 0.00 -0.60 0.00 0.00 32.23 32.46 2wbj h LYS 139 CO 1.15 0.70 -0.63 0.00 -3.45 0.00 0.00 179.45 177.22 2wbj s ALA 140 N -4.82 3.41 0.00 5.00 0.00 -1.26 -4.69 121.76 119.40 2wbj s ALA 140 Ca -0.13 -1.10 0.00 0.00 0.00 0.00 0.00 51.96 50.73 2wbj s ALA 140 Cb 0.08 -1.29 0.00 0.00 0.00 0.00 0.00 23.12 21.91 2wbj s ALA 140 CO 0.76 0.70 0.00 0.41 0.00 0.00 0.00 175.76 177.63 2wbj n GLY 141 N 0.42 1.44 2.99 0.00 0.00 -1.26 -5.04 105.19 103.73 2wbj n GLY 141 Ca -0.10 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.77 2wbj n GLY 141 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 2wbj s MET 142 N -0.21 0.46 0.30 1.61 0.23 -1.26 -1.86 119.30 118.57 2wbj s MET 142 Ca 0.00 -0.33 0.09 0.00 -1.03 0.00 0.00 55.69 54.41 2wbj s MET 142 Cb 0.00 -0.40 -0.06 0.00 -1.53 0.00 0.00 34.83 32.84 2wbj s MET 142 CO 0.00 0.10 -0.10 0.54 -2.03 0.00 0.00 175.02 173.53 2wbj s VAL 143 N -0.43 2.02 0.07 5.16 0.11 0.06 -4.97 120.40 122.41 2wbj s VAL 143 Ca -0.01 -2.20 -0.03 0.00 -2.93 0.00 0.00 61.98 56.81 2wbj s VAL 143 Cb -0.04 -2.49 -0.03 0.00 -1.53 0.00 0.00 36.38 32.29 2wbj s VAL 143 CO -0.00 -0.29 0.05 -0.55 -3.33 0.00 0.00 175.10 170.98 2wbj s SER 144 N -3.52 0.36 0.11 3.54 0.15 -1.26 -0.29 113.70 112.79 2wbj s SER 144 Ca 0.30 -0.91 0.25 0.00 0.70 0.00 0.00 55.95 56.30 2wbj s SER 144 Cb 0.02 0.25 0.56 0.00 -1.71 0.00 0.00 66.02 65.14 2wbj s SER 144 CO 0.14 -0.65 1.50 0.35 1.20 0.00 0.00 173.24 175.78 2wbj n THR 145 N 0.04 0.33 -3.78 6.45 -2.24 -0.75 -5.01 114.28 109.32 2wbj n THR 145 Ca -0.14 -0.21 0.00 0.00 -2.27 0.00 0.00 64.05 61.43 2wbj n THR 145 Cb 0.62 -0.22 0.00 0.00 -2.10 0.00 0.00 70.33 68.62 2wbj n THR 145 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2wbj n GLY 146 N 1.37 -2.03 3.72 3.38 0.00 -1.26 -4.86 105.19 105.50 2wbj n GLY 146 Ca 0.04 -1.45 -0.41 0.00 0.00 0.00 0.00 46.02 44.20 2wbj n GLY 146 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2wbj s LEU 147 N 0.00 4.38 -0.17 0.99 2.96 -1.26 -4.49 118.68 121.09 2wbj s LEU 147 Ca 0.00 1.48 0.01 0.00 -0.22 0.00 0.00 54.13 55.40 2wbj s LEU 147 Cb 0.00 -3.34 0.02 0.00 0.50 0.00 0.00 46.19 43.37 2wbj s LEU 147 CO 0.00 -0.13 -0.18 -0.63 -1.32 0.00 0.00 176.35 174.08 2wbj s ILE 148 N 0.60 1.91 0.00 6.68 1.01 -0.48 -5.00 121.20 125.92 2wbj s ILE 148 Ca 0.44 -0.85 -0.30 0.00 0.00 0.00 0.00 60.65 59.94 2wbj s ILE 148 Cb -0.20 -1.74 -0.04 0.00 0.01 0.00 0.00 42.46 40.49 2wbj s ILE 148 CO 0.24 0.52 1.12 -1.10 0.00 0.00 0.00 174.94 175.72 2wbj s GLN 149 N 1.31 4.45 0.20 2.79 -0.21 -1.26 -1.35 119.66 125.58 2wbj s GLN 149 Ca 0.04 1.62 0.23 0.00 0.02 0.00 0.00 55.36 57.26 2wbj s GLN 149 Cb -0.13 -3.45 0.10 0.00 1.00 0.00 0.00 33.01 30.53 2wbj s GLN 149 CO -0.11 -0.25 1.14 -0.91 -2.12 0.00 0.00 175.29 173.04 2wbj h ASN 150 N 6.98 0.00 0.00 5.90 2.35 -1.76 -3.49 115.58 125.57 2wbj h ASN 150 Ca -0.39 -0.06 0.00 0.00 -0.55 0.00 0.00 56.30 55.30 2wbj h ASN 150 Cb 1.20 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.57 2wbj h ASN 150 CO 0.81 0.03 0.00 0.61 -1.65 0.00 0.00 177.43 177.23 2wbj n GLY 151 N 1.22 0.75 0.92 2.83 0.00 -1.26 -4.92 105.19 104.73 2wbj n GLY 151 Ca 0.01 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.08 2wbj n GLY 151 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2wbj n ASP 152 N 0.00 1.43 -2.25 1.61 5.75 -1.26 -4.95 116.55 116.88 2wbj n ASP 152 Ca 0.00 -3.13 -0.17 0.00 -0.01 0.00 0.00 54.79 51.48 2wbj n ASP 152 Cb 0.00 -0.43 0.02 0.00 -1.03 0.00 0.00 41.12 39.67 2wbj n ASP 152 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 2wbj n TRP 153 N -0.49 -1.32 -4.11 2.11 7.02 -1.26 -5.03 117.44 114.35 2wbj n TRP 153 Ca 0.14 0.29 -0.14 0.00 -1.02 0.00 0.00 57.50 56.76 2wbj n TRP 153 Cb 0.86 -3.63 -0.12 0.00 -2.42 0.00 0.00 31.31 26.00 2wbj n TRP 153 CO 0.00 0.00 0.00 0.95 -2.02 0.00 0.00 177.69 176.62 2wbj s THR 154 N -2.97 0.57 0.32 -0.99 -4.23 -1.26 -4.67 115.64 102.40 2wbj s THR 154 Ca 0.17 -0.86 0.07 0.00 -1.18 0.00 0.00 61.69 59.90 2wbj s THR 154 Cb -0.07 -0.59 -0.03 0.00 1.34 0.00 0.00 72.50 73.15 2wbj s THR 154 CO 0.21 -0.21 0.28 -0.36 -0.54 0.00 0.00 174.62 174.00 2wbj s PHE 155 N -1.00 2.97 0.01 3.99 0.40 0.54 -2.00 117.98 122.88 2wbj s PHE 155 Ca -0.06 -0.25 -0.15 0.00 -0.60 0.00 0.00 56.93 55.87 2wbj s PHE 155 Cb -0.08 -1.72 0.02 0.00 0.51 0.00 0.00 43.02 41.76 2wbj s PHE 155 CO 0.00 0.25 0.32 1.14 0.70 0.00 0.00 175.22 177.63 2wbj s GLN 156 N -3.97 0.73 0.11 0.44 -2.07 -0.46 -1.14 119.66 113.31 2wbj s GLN 156 Ca 0.39 -0.29 -0.13 0.00 -1.82 0.00 0.00 55.36 53.52 2wbj s GLN 156 Cb -0.06 0.32 0.02 0.00 -1.09 0.00 0.00 33.01 32.19 2wbj s GLN 156 CO 0.26 -0.22 0.30 -0.08 -1.32 0.00 0.00 175.29 174.24 2wbj s THR 157 N -1.76 0.10 -0.12 3.63 -1.32 -0.19 -1.38 115.64 114.61 2wbj s THR 157 Ca -0.10 -0.87 -0.00 0.00 -1.21 0.00 0.00 61.69 59.50 2wbj s THR 157 Cb -0.04 -1.27 0.02 0.00 -1.51 0.00 0.00 72.50 69.71 2wbj s THR 157 CO 0.02 -0.47 -0.09 -0.76 -2.21 0.00 0.00 174.62 171.11 2wbj s LEU 158 N -2.83 1.27 -0.25 9.08 1.02 -1.26 -1.85 118.68 123.86 2wbj s LEU 158 Ca 0.04 -0.33 -0.03 0.00 0.02 0.00 0.00 54.13 53.83 2wbj s LEU 158 Cb 0.03 -0.88 0.01 0.00 0.02 0.00 0.00 46.19 45.37 2wbj s LEU 158 CO -0.11 -0.10 -0.03 -0.69 0.02 0.00 0.00 176.35 175.43 2wbj s VAL 159 N 1.62 3.22 -0.15 -1.59 1.01 -0.26 -1.81 120.40 122.44 2wbj s VAL 159 Ca 0.04 -0.80 -0.04 0.00 0.00 0.00 0.00 61.98 61.19 2wbj s VAL 159 Cb -0.13 -2.58 -0.03 0.00 0.00 0.00 0.00 36.38 33.64 2wbj s VAL 159 CO -0.08 0.25 -0.04 -0.04 0.00 0.00 0.00 175.10 175.19 2wbj s MET 160 N 1.40 3.64 -0.23 2.72 -1.94 0.60 -0.95 119.30 124.55 2wbj s MET 160 Ca 0.02 -0.52 -0.08 0.00 -1.71 0.00 0.00 55.69 53.41 2wbj s MET 160 Cb -0.16 -2.91 -0.03 0.00 2.01 0.00 0.00 34.83 33.74 2wbj s MET 160 CO -0.03 0.26 0.08 -1.17 -0.01 0.00 0.00 175.02 174.15 2wbj s LEU 161 N 0.30 3.61 -0.87 -0.03 2.96 0.13 -0.76 118.68 124.01 2wbj s LEU 161 Ca -0.03 -0.10 -0.17 0.00 -0.22 0.00 0.00 54.13 53.61 2wbj s LEU 161 Cb -0.14 -1.95 0.17 0.00 0.50 0.00 0.00 46.19 44.77 2wbj s LEU 161 CO 0.03 0.04 0.95 -1.83 -1.32 0.00 0.00 176.35 174.21 2wbj s GLU 162 N 1.20 3.59 -0.04 1.98 -1.05 -0.78 -0.14 118.70 123.46 2wbj s GLU 162 Ca 0.05 -2.07 -0.03 0.00 -0.15 0.00 0.00 54.97 52.77 2wbj s GLU 162 Cb -0.14 -4.67 0.02 0.00 -0.44 0.00 0.00 34.13 28.89 2wbj s GLU 162 CO 0.04 -1.55 0.10 0.95 0.95 0.00 0.00 175.26 175.75 2wbj s THR 163 N 1.53 -0.02 -0.12 1.83 -4.23 -1.25 -4.93 115.64 108.45 2wbj s THR 163 Ca 0.25 0.06 -0.30 0.00 -1.18 0.00 0.00 61.69 60.53 2wbj s THR 163 Cb -0.08 -0.16 -0.02 0.00 1.34 0.00 0.00 72.50 73.59 2wbj s THR 163 CO -0.09 0.02 1.19 0.54 -0.54 0.00 0.00 174.62 175.74 2wbj s VAL 164 N 0.39 4.37 0.64 2.29 0.11 -1.26 -4.40 120.40 122.53 2wbj s VAL 164 Ca -0.03 1.67 -0.09 0.00 -2.93 0.00 0.00 61.98 60.59 2wbj s VAL 164 Cb -0.04 -4.07 0.14 0.00 -1.53 0.00 0.00 36.38 30.88 2wbj s VAL 164 CO -0.02 -0.07 0.87 -2.65 -3.33 0.00 0.00 175.10 169.90 2wbj n PRO 165 N 5.84 -0.72 0.00 1.54 -0.02 -1.26 -5.12 135.00 135.26 2wbj n PRO 165 Ca 0.12 -1.47 0.00 0.00 -2.02 0.00 0.00 63.50 60.13 2wbj n PRO 165 Cb 0.46 -0.85 0.00 0.00 -0.02 0.00 0.00 33.50 33.09 2wbj n PRO 165 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 2wbj n TYR 171 N -3.10 0.00 -4.24 6.00 4.01 -0.67 -5.18 117.16 113.97 2wbj n TYR 171 Ca 0.11 0.00 -0.20 0.00 -0.16 0.00 0.00 57.90 57.66 2wbj n TYR 171 Cb 0.39 0.00 -0.16 0.00 -0.31 0.00 0.00 39.34 39.26 2wbj n TYR 171 CO 0.00 0.00 0.00 0.99 -0.46 0.00 0.00 176.86 177.39 2wbj s THR 172 N -0.66 0.60 -0.22 -0.72 2.01 0.58 -0.28 115.64 116.95 2wbj s THR 172 Ca 0.00 -0.20 -0.10 0.00 0.31 0.00 0.00 61.69 61.70 2wbj s THR 172 Cb 0.00 -0.59 -0.05 0.00 0.01 0.00 0.00 72.50 71.87 2wbj s THR 172 CO 0.00 0.22 0.14 0.00 -0.69 0.00 0.00 174.62 174.30 2wbj s GLN 174 N 0.82 2.65 -0.26 0.00 0.74 -0.37 -1.78 119.66 121.46 2wbj s GLN 174 Ca 0.07 -0.72 0.00 0.00 0.05 0.00 0.00 55.36 54.76 2wbj s GLN 174 Cb -0.13 -2.37 0.04 0.00 1.10 0.00 0.00 33.01 31.66 2wbj s GLN 174 CO 0.02 -0.23 -0.07 0.08 -0.55 0.00 0.00 175.29 174.54 2wbj s VAL 175 N 1.38 2.61 -0.11 1.34 1.01 0.59 -1.59 120.40 125.62 2wbj s VAL 175 Ca 0.05 -1.34 -0.06 0.00 0.00 0.00 0.00 61.98 60.62 2wbj s VAL 175 Cb -0.13 -2.44 -0.04 0.00 0.00 0.00 0.00 36.38 33.77 2wbj s VAL 175 CO -0.12 0.05 0.12 -1.61 0.00 0.00 0.00 175.10 173.54 2wbj s GLU 176 N 1.22 3.38 -0.19 2.72 2.02 -0.24 -1.03 118.70 126.58 2wbj s GLU 176 Ca -0.04 -0.17 -0.28 0.00 0.02 0.00 0.00 54.97 54.50 2wbj s GLU 176 Cb -0.19 -3.14 0.09 0.00 0.10 0.00 0.00 34.13 31.00 2wbj s GLU 176 CO -0.04 0.77 0.84 -1.58 0.02 0.00 0.00 175.26 175.27 2wbj s HIS 177 N -1.02 -0.60 0.50 1.61 2.46 -1.26 -1.55 115.29 115.44 2wbj s HIS 177 Ca 0.15 1.28 0.28 0.00 0.47 0.00 0.00 55.06 57.24 2wbj s HIS 177 Cb -0.12 0.36 1.38 0.00 -0.13 0.00 0.00 32.58 34.08 2wbj s HIS 177 CO 0.04 -0.40 1.87 -1.35 -2.47 0.00 0.00 174.74 172.43 2wbj h PRO 178 N 3.81 0.11 0.00 2.88 0.11 -1.94 -2.98 132.00 133.99 2wbj h PRO 178 Ca -0.26 -0.01 -0.05 0.00 0.11 0.00 0.00 66.00 65.79 2wbj h PRO 178 Cb 1.16 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.24 2wbj h PRO 178 CO 0.20 0.07 -0.24 0.66 -0.21 0.00 0.00 178.00 178.49 2wbj h SER 179 N 0.11 0.00 -4.45 -2.05 4.64 -1.88 -3.43 113.55 106.49 2wbj h SER 179 Ca 0.46 0.00 -0.70 0.00 -0.47 0.00 0.00 61.79 61.08 2wbj h SER 179 Cb 1.63 0.00 -0.28 0.00 -0.31 0.00 0.00 62.40 63.44 2wbj h SER 179 CO -0.06 0.24 -0.86 0.68 -0.87 0.00 0.00 176.83 175.95 2wbj s VAL 180 N -3.78 2.31 -0.14 0.95 -7.23 -1.13 -4.85 120.40 106.53 2wbj s VAL 180 Ca -0.00 -1.04 0.29 0.00 -1.81 0.00 0.00 61.98 59.42 2wbj s VAL 180 Cb 0.11 -1.83 0.36 0.00 0.56 0.00 0.00 36.38 35.58 2wbj s VAL 180 CO 0.64 0.57 1.84 0.71 -0.31 0.00 0.00 175.10 178.55 2wbj h THR 181 N 4.43 0.00 -3.25 5.32 1.35 -1.85 -3.44 112.91 115.47 2wbj h THR 181 Ca -0.44 -0.63 -0.17 0.00 -0.55 0.00 0.00 66.41 64.62 2wbj h THR 181 Cb 1.13 1.60 -0.25 0.00 -1.73 0.00 0.00 68.15 68.90 2wbj h THR 181 CO 0.48 0.00 -0.47 -0.94 -0.25 0.00 0.00 175.52 174.34 2wbj s SER 182 N -5.66 -0.19 0.38 5.36 1.04 -1.26 -5.14 113.70 108.23 2wbj s SER 182 Ca 0.04 0.34 -0.27 0.00 0.48 0.00 0.00 55.95 56.54 2wbj s SER 182 Cb 0.08 0.40 -0.11 0.00 0.10 0.00 0.00 66.02 66.49 2wbj s SER 182 CO 0.57 -0.12 1.28 -0.81 0.98 0.00 0.00 173.24 175.14 2wbj n PRO 183 N 2.74 2.02 -2.80 4.02 -0.04 -1.26 -4.95 135.00 134.72 2wbj n PRO 183 Ca -0.14 0.71 -0.41 0.00 -0.04 0.00 0.00 63.50 63.62 2wbj n PRO 183 Cb 0.58 -2.35 -0.04 0.00 -0.04 0.00 0.00 33.50 31.65 2wbj n PRO 183 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2wbj s LEU 184 N -1.36 4.37 -0.05 1.53 1.43 -0.20 -4.86 118.68 119.54 2wbj s LEU 184 Ca 0.58 1.55 0.05 0.00 -1.03 0.00 0.00 54.13 55.28 2wbj s LEU 184 Cb -0.54 -3.45 -0.02 0.00 0.03 0.00 0.00 46.19 42.22 2wbj s LEU 184 CO 0.60 -0.21 -0.18 0.42 0.23 0.00 0.00 176.35 177.21 2wbj s THR 185 N 0.86 2.69 -0.04 5.49 -4.23 -1.26 -0.30 115.64 118.85 2wbj s THR 185 Ca 0.48 -0.86 0.04 0.00 -1.18 0.00 0.00 61.69 60.18 2wbj s THR 185 Cb -0.20 -2.03 -0.00 0.00 1.34 0.00 0.00 72.50 71.61 2wbj s THR 185 CO 0.26 0.58 -0.18 0.68 -0.54 0.00 0.00 174.62 175.42 2wbj s VAL 186 N -0.55 1.47 0.01 2.29 -7.23 -0.73 -5.00 120.40 110.65 2wbj s VAL 186 Ca 0.07 -0.74 -0.01 0.00 -1.81 0.00 0.00 61.98 59.50 2wbj s VAL 186 Cb -0.11 -1.26 -0.04 0.00 0.56 0.00 0.00 36.38 35.53 2wbj s VAL 186 CO 0.01 0.42 0.13 -0.70 -0.31 0.00 0.00 175.10 174.65 2wbj s GLU 187 N 0.02 3.22 0.00 4.82 2.12 -1.26 -1.19 118.70 126.42 2wbj s GLU 187 Ca -0.04 -0.44 0.00 0.00 0.36 0.00 0.00 54.97 54.86 2wbj s GLU 187 Cb -0.12 -2.95 0.00 0.00 0.26 0.00 0.00 34.13 31.32 2wbj s GLU 187 CO 0.02 0.65 0.09 1.87 -0.54 0.00 0.00 175.26 177.35