#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bx2 n ARG 4 N 0.00 -0.14 -2.21 -2.82 1.85 -1.26 -4.98 116.66 107.10 1bx2 n ARG 4 Ca 0.00 -0.02 -0.29 0.00 -1.00 0.00 0.00 57.85 56.54 1bx2 n ARG 4 Cb 0.00 -1.37 0.01 0.00 -1.05 0.00 0.00 32.46 30.05 1bx2 n ARG 4 CO 0.00 0.00 0.00 -1.25 -0.01 0.00 0.00 177.63 176.37 1bx2 s PRO 5 N -2.71 3.39 0.25 2.89 0.05 -1.26 -5.08 135.00 132.53 1bx2 s PRO 5 Ca 0.47 0.41 0.11 0.00 0.05 0.00 0.00 61.00 62.04 1bx2 s PRO 5 Cb -0.19 -2.20 -0.05 0.00 0.05 0.00 0.00 34.50 32.11 1bx2 s PRO 5 CO 0.76 -0.52 -0.15 1.03 0.05 0.00 0.00 177.00 178.17 1bx2 s ARG 6 N -5.02 1.84 -0.07 4.56 1.81 -1.26 -5.13 118.95 115.68 1bx2 s ARG 6 Ca 0.53 -1.59 0.00 0.00 -1.72 0.00 0.00 55.73 52.95 1bx2 s ARG 6 Cb -0.11 -1.92 0.02 0.00 -0.45 0.00 0.00 34.95 32.50 1bx2 s ARG 6 CO 0.49 0.36 -0.04 -0.06 -0.68 0.00 0.00 175.30 175.37 1bx2 s PHE 7 N -2.23 0.91 -0.14 -0.53 0.08 -1.26 -5.08 117.98 109.74 1bx2 s PHE 7 Ca 0.28 -0.32 0.02 0.00 0.12 0.00 0.00 56.93 57.03 1bx2 s PHE 7 Cb -0.06 -0.85 0.01 0.00 -0.57 0.00 0.00 43.02 41.54 1bx2 s PHE 7 CO 0.15 -0.31 -0.21 -1.17 -0.10 0.00 0.00 175.22 173.59 1bx2 s LEU 8 N 1.41 2.20 -0.17 -0.37 2.96 -1.26 -5.01 118.68 118.44 1bx2 s LEU 8 Ca -0.03 -0.56 -0.03 0.00 -0.22 0.00 0.00 54.13 53.29 1bx2 s LEU 8 Cb -0.13 -1.47 -0.02 0.00 0.50 0.00 0.00 46.19 45.06 1bx2 s LEU 8 CO -0.03 0.09 -0.05 0.86 -1.32 0.00 0.00 176.35 175.91 1bx2 s TRP 9 N 0.74 2.98 -0.28 5.38 -0.00 -1.26 0.25 118.94 126.75 1bx2 s TRP 9 Ca -0.08 -0.46 -0.03 0.00 -0.00 0.00 0.00 56.10 55.52 1bx2 s TRP 9 Cb -0.16 -1.98 0.10 0.00 -0.00 0.00 0.00 33.47 31.43 1bx2 s TRP 9 CO 0.00 -0.17 0.12 -1.14 -0.00 0.00 0.00 176.95 175.76 1bx2 s GLN 10 N 0.62 0.31 -0.15 5.86 0.74 -0.08 -5.00 119.66 121.97 1bx2 s GLN 10 Ca -0.03 -0.62 -0.22 0.00 0.05 0.00 0.00 55.36 54.54 1bx2 s GLN 10 Cb -0.15 -1.42 -0.03 0.00 1.10 0.00 0.00 33.01 32.52 1bx2 s GLN 10 CO 0.02 -0.98 0.68 -1.25 -0.55 0.00 0.00 175.29 173.22 1bx2 s PRO 11 N 1.99 4.31 -0.18 1.67 0.05 -1.26 -1.13 135.00 140.45 1bx2 s PRO 11 Ca 0.08 0.77 0.00 0.00 0.05 0.00 0.00 61.00 61.91 1bx2 s PRO 11 Cb -0.16 -3.53 0.04 0.00 0.05 0.00 0.00 34.50 30.90 1bx2 s PRO 11 CO -0.32 -0.14 -0.09 0.15 0.05 0.00 0.00 177.00 176.65 1bx2 s LYS 12 N 1.54 1.86 -0.21 4.56 1.02 0.55 -5.01 119.74 124.05 1bx2 s LYS 12 Ca 0.33 -0.69 -0.06 0.00 0.02 0.00 0.00 55.97 55.57 1bx2 s LYS 12 Cb -0.16 -2.23 -0.03 0.00 -0.52 0.00 0.00 37.83 34.89 1bx2 s LYS 12 CO 0.13 -0.40 0.02 1.03 -0.92 0.00 0.00 175.35 175.21 1bx2 s ARG 13 N 1.49 3.66 -0.02 1.68 3.00 -1.26 -1.01 118.95 126.49 1bx2 s ARG 13 Ca 0.00 -0.49 0.04 0.00 0.00 0.00 0.00 55.73 55.29 1bx2 s ARG 13 Cb -0.15 -3.16 -0.01 0.00 0.00 0.00 0.00 34.95 31.63 1bx2 s ARG 13 CO -0.08 -0.01 -0.15 -1.83 0.00 0.00 0.00 175.30 173.22 1bx2 s GLU 14 N 1.10 1.34 -0.18 3.54 -1.05 -0.57 -5.00 118.70 117.88 1bx2 s GLU 14 Ca 0.03 -0.54 -0.04 0.00 -0.15 0.00 0.00 54.97 54.27 1bx2 s GLU 14 Cb -0.14 -1.25 -0.02 0.00 -0.44 0.00 0.00 34.13 32.27 1bx2 s GLU 14 CO 0.02 0.29 -0.03 0.00 0.95 0.00 0.00 175.26 176.49 1bx2 s HIS 16 N 0.76 2.88 -0.11 0.00 3.76 -0.50 -4.97 115.29 117.11 1bx2 s HIS 16 Ca -0.01 -0.67 0.01 0.00 -0.15 0.00 0.00 55.06 54.24 1bx2 s HIS 16 Cb -0.14 -1.92 -0.02 0.00 1.11 0.00 0.00 32.58 31.61 1bx2 s HIS 16 CO 0.02 -0.26 -0.13 -0.06 -0.85 0.00 0.00 174.74 173.46 1bx2 s PHE 17 N 0.59 2.79 -0.06 1.40 0.08 -1.26 -1.34 117.98 120.18 1bx2 s PHE 17 Ca -0.06 -0.48 0.05 0.00 0.12 0.00 0.00 56.93 56.56 1bx2 s PHE 17 Cb -0.15 -1.78 -0.00 0.00 -0.57 0.00 0.00 43.02 40.51 1bx2 s PHE 17 CO 0.03 -0.08 -0.20 -0.06 -0.10 0.00 0.00 175.22 174.81 1bx2 s PHE 18 N 0.02 2.06 -1.27 0.36 0.40 0.78 -4.77 117.98 115.56 1bx2 s PHE 18 Ca -0.04 -0.67 -0.02 0.00 -0.60 0.00 0.00 56.93 55.60 1bx2 s PHE 18 Cb -0.14 -1.38 0.01 0.00 0.51 0.00 0.00 43.02 42.01 1bx2 s PHE 18 CO 0.04 -0.24 0.92 -1.71 0.70 0.00 0.00 175.22 174.93 1bx2 n ASN 19 N 3.24 -2.39 0.00 1.36 4.05 -1.26 -2.25 115.26 118.00 1bx2 n ASN 19 Ca -0.19 -0.68 0.00 0.00 0.45 0.00 0.00 54.58 54.16 1bx2 n ASN 19 Cb 0.53 -4.71 0.00 0.00 1.23 0.00 0.00 39.78 36.82 1bx2 n ASN 19 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1bx2 n GLY 20 N -1.40 1.66 0.32 8.20 0.00 -1.26 -2.77 105.19 109.94 1bx2 n GLY 20 Ca -0.24 -0.28 0.00 0.00 0.00 0.00 0.00 46.02 45.49 1bx2 n GLY 20 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1bx2 n THR 21 N 0.00 0.00 0.20 2.61 -2.24 -1.25 -4.86 114.28 108.74 1bx2 n THR 21 Ca 0.00 0.00 0.04 0.00 -2.27 0.00 0.00 64.05 61.82 1bx2 n THR 21 Cb 0.00 0.36 0.43 0.00 -2.10 0.00 0.00 70.33 69.03 1bx2 n THR 21 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 1bx2 h GLU 22 N 0.00 0.00 -3.37 -0.78 5.08 -1.50 -3.41 114.58 110.60 1bx2 h GLU 22 Ca 0.00 -0.00 -0.38 0.00 -1.00 0.00 0.00 59.36 57.98 1bx2 h GLU 22 Cb 1.14 -0.00 -0.39 0.00 0.50 0.00 0.00 28.75 30.00 1bx2 h GLU 22 CO 0.00 0.27 -0.74 0.50 -1.00 0.00 0.00 179.01 178.04 1bx2 s ARG 23 N -4.44 0.02 0.09 2.33 3.52 -0.96 -5.04 118.95 114.47 1bx2 s ARG 23 Ca -0.03 0.34 0.08 0.00 -0.13 0.00 0.00 55.73 55.98 1bx2 s ARG 23 Cb 0.15 -0.56 -0.03 0.00 -1.56 0.00 0.00 34.95 32.94 1bx2 s ARG 23 CO 0.71 -0.32 -0.21 0.08 -0.81 0.00 0.00 175.30 174.75 1bx2 s VAL 24 N 2.10 1.76 -0.06 7.11 1.01 -1.26 -0.15 120.40 130.90 1bx2 s VAL 24 Ca 0.04 -1.49 -0.01 0.00 0.00 0.00 0.00 61.98 60.52 1bx2 s VAL 24 Cb -0.12 -1.58 0.03 0.00 0.00 0.00 0.00 36.38 34.71 1bx2 s VAL 24 CO -0.03 0.01 0.00 -0.60 0.00 0.00 0.00 175.10 174.48 1bx2 s ARG 25 N -1.77 0.53 -0.01 2.72 3.52 -0.45 -4.98 118.95 118.52 1bx2 s ARG 25 Ca 0.07 0.12 -0.05 0.00 -0.13 0.00 0.00 55.73 55.74 1bx2 s ARG 25 Cb -0.10 -0.89 -0.04 0.00 -1.56 0.00 0.00 34.95 32.36 1bx2 s ARG 25 CO 0.04 -0.28 0.22 0.12 -0.81 0.00 0.00 175.30 174.59 1bx2 s PHE 26 N 1.86 3.57 -0.11 5.12 5.36 -1.26 -1.41 117.98 131.12 1bx2 s PHE 26 Ca 0.03 0.50 -0.03 0.00 -0.96 0.00 0.00 56.93 56.46 1bx2 s PHE 26 Cb -0.12 -1.93 0.05 0.00 -0.34 0.00 0.00 43.02 40.68 1bx2 s PHE 26 CO -0.04 0.64 0.11 -1.17 -1.46 0.00 0.00 175.22 173.30 1bx2 s LEU 27 N -1.73 0.12 -0.46 6.12 2.96 -0.69 -1.10 118.68 123.90 1bx2 s LEU 27 Ca 0.26 -0.10 -0.15 0.00 -0.22 0.00 0.00 54.13 53.92 1bx2 s LEU 27 Cb -0.13 -0.02 0.07 0.00 0.50 0.00 0.00 46.19 46.62 1bx2 s LEU 27 CO 0.15 -0.29 0.37 -0.62 -1.32 0.00 0.00 176.35 174.65 1bx2 s ASP 28 N 2.21 6.08 0.03 3.68 2.15 0.25 -1.51 116.67 129.55 1bx2 s ASP 28 Ca 0.04 -1.33 0.04 0.00 0.43 0.00 0.00 52.55 51.73 1bx2 s ASP 28 Cb -0.14 -2.16 -0.04 0.00 -0.30 0.00 0.00 42.92 40.29 1bx2 s ASP 28 CO -0.06 -0.62 -0.06 -0.13 -0.17 0.00 0.00 175.17 174.12 1bx2 s ARG 29 N 1.62 2.52 -0.06 4.34 0.52 -0.18 -0.28 118.95 127.42 1bx2 s ARG 29 Ca 0.04 -0.76 0.01 0.00 -0.52 0.00 0.00 55.73 54.50 1bx2 s ARG 29 Cb -0.24 -2.49 0.02 0.00 0.52 0.00 0.00 34.95 32.76 1bx2 s ARG 29 CO 0.06 0.59 -0.07 0.71 0.02 0.00 0.00 175.30 176.61 1bx2 s TYR 30 N -1.07 1.08 -0.10 -0.53 2.02 -0.74 -0.33 117.35 117.68 1bx2 s TYR 30 Ca 0.19 -0.39 0.04 0.00 -0.37 0.00 0.00 57.07 56.54 1bx2 s TYR 30 Cb -0.11 -0.89 -0.00 0.00 -0.40 0.00 0.00 41.96 40.56 1bx2 s TYR 30 CO 0.10 -0.28 -0.24 -0.06 -1.57 0.00 0.00 175.55 173.50 1bx2 s PHE 31 N 1.04 2.56 -0.25 2.71 0.40 -0.28 -0.00 117.98 124.16 1bx2 s PHE 31 Ca -0.09 -1.04 -0.07 0.00 -0.60 0.00 0.00 56.93 55.14 1bx2 s PHE 31 Cb -0.14 -1.71 -0.02 0.00 0.51 0.00 0.00 43.02 41.66 1bx2 s PHE 31 CO -0.00 -0.42 0.05 -0.47 0.70 0.00 0.00 175.22 175.08 1bx2 s TYR 32 N 0.33 3.06 0.00 0.36 5.04 0.61 -0.90 117.35 125.85 1bx2 s TYR 32 Ca -0.19 -0.58 0.00 0.00 -2.44 0.00 0.00 57.07 53.86 1bx2 s TYR 32 Cb -0.18 -2.21 0.00 0.00 0.35 0.00 0.00 41.96 39.92 1bx2 s TYR 32 CO 0.09 -0.42 0.00 0.09 -1.34 0.00 0.00 175.55 173.97 1bx2 n ASN 33 N 4.89 0.00 -0.11 4.32 3.02 0.14 -0.43 115.26 127.09 1bx2 n ASN 33 Ca -0.16 0.00 0.02 0.00 -0.03 0.00 0.00 54.58 54.41 1bx2 n ASN 33 Cb 0.51 0.00 0.03 0.00 -0.61 0.00 0.00 39.78 39.71 1bx2 n ASN 33 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1bx2 n GLN 34 N 0.00 1.22 -4.18 3.52 6.02 -1.26 -4.91 117.38 117.78 1bx2 n GLN 34 Ca 0.00 -1.35 -0.34 0.00 -0.01 0.00 0.00 57.00 55.31 1bx2 n GLN 34 Cb 0.00 -0.87 -0.15 0.00 1.02 0.00 0.00 30.24 30.24 1bx2 n GLN 34 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 1bx2 s GLU 35 N -0.92 3.23 0.10 -1.09 2.02 0.43 -5.08 118.70 117.39 1bx2 s GLU 35 Ca 0.07 -0.72 -0.31 0.00 0.02 0.00 0.00 54.97 54.03 1bx2 s GLU 35 Cb 0.06 -2.76 -0.07 0.00 0.10 0.00 0.00 34.13 31.46 1bx2 s GLU 35 CO 0.01 -0.12 1.30 -2.00 0.02 0.00 0.00 175.26 174.47 1bx2 s GLU 36 N 1.18 4.38 -0.20 1.61 2.12 -1.26 -0.28 118.70 126.24 1bx2 s GLU 36 Ca 0.02 1.94 0.07 0.00 0.36 0.00 0.00 54.97 57.35 1bx2 s GLU 36 Cb -0.14 -3.28 -0.17 0.00 0.26 0.00 0.00 34.13 30.80 1bx2 s GLU 36 CO -0.05 -0.34 -0.10 -1.13 -0.54 0.00 0.00 175.26 173.10 1bx2 n SER 37 N 3.79 1.74 -3.68 -1.70 3.41 0.99 -3.97 113.62 114.20 1bx2 n SER 37 Ca 0.10 -0.08 -0.15 0.00 -0.26 0.00 0.00 58.87 58.49 1bx2 n SER 37 Cb 0.44 0.10 -0.08 0.00 -0.26 0.00 0.00 64.21 64.42 1bx2 n SER 37 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1bx2 s VAL 38 N -2.43 0.04 0.07 -3.33 0.11 -1.24 -1.85 120.40 111.76 1bx2 s VAL 38 Ca -0.22 -0.34 -0.22 0.00 -2.93 0.00 0.00 61.98 58.27 1bx2 s VAL 38 Cb 0.07 -0.75 0.05 0.00 -1.53 0.00 0.00 36.38 34.22 1bx2 s VAL 38 CO 0.58 -0.19 0.51 0.00 -3.33 0.00 0.00 175.10 172.67 1bx2 s ARG 39 N -1.39 1.07 -0.12 1.54 1.70 -0.51 -1.79 118.95 119.45 1bx2 s ARG 39 Ca -0.12 -0.33 0.02 0.00 -0.47 0.00 0.00 55.73 54.84 1bx2 s ARG 39 Cb -0.03 0.48 -0.00 0.00 -0.57 0.00 0.00 34.95 34.83 1bx2 s ARG 39 CO 0.05 -0.40 -0.20 0.12 -1.08 0.00 0.00 175.30 173.79 1bx2 s PHE 40 N -2.78 2.66 -0.24 5.89 2.19 0.61 -0.93 117.98 125.38 1bx2 s PHE 40 Ca -0.03 -0.96 0.02 0.00 0.33 0.00 0.00 56.93 56.28 1bx2 s PHE 40 Cb -0.00 -1.77 0.05 0.00 -1.31 0.00 0.00 43.02 39.98 1bx2 s PHE 40 CO -0.04 -0.39 -0.12 0.34 1.83 0.00 0.00 175.22 176.84 1bx2 s ASP 41 N 0.43 4.16 0.44 6.13 -1.08 -1.26 -0.59 116.67 124.91 1bx2 s ASP 41 Ca -0.14 -1.15 0.28 0.00 -0.52 0.00 0.00 52.55 51.02 1bx2 s ASP 41 Cb -0.17 -1.56 1.36 0.00 -1.46 0.00 0.00 42.92 41.10 1bx2 s ASP 41 CO 0.06 -0.14 1.68 0.77 0.52 0.00 0.00 175.17 178.06 1bx2 h SER 42 N 7.85 0.26 0.24 -0.34 4.64 -1.47 1.00 113.55 125.73 1bx2 h SER 42 Ca -0.27 0.10 0.00 0.00 -0.47 0.00 0.00 61.79 61.15 1bx2 h SER 42 Cb 1.07 0.08 0.00 0.00 -0.31 0.00 0.00 62.40 63.24 1bx2 h SER 42 CO 0.52 -0.08 0.00 0.47 -0.87 0.00 0.00 176.83 176.87 1bx2 n ASP 43 N -4.59 0.00 -0.03 4.97 8.00 -1.26 -3.18 116.55 120.46 1bx2 n ASP 43 Ca 0.33 0.05 -0.04 0.00 0.71 0.00 0.00 54.79 55.85 1bx2 n ASP 43 Cb 1.29 -0.27 -0.04 0.00 -0.02 0.00 0.00 41.12 42.09 1bx2 n ASP 43 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 1bx2 n VAL 44 N -1.27 0.38 0.00 2.53 0.31 0.34 -5.04 118.33 115.59 1bx2 n VAL 44 Ca 0.07 -0.18 0.00 0.00 -0.01 0.00 0.00 64.34 64.22 1bx2 n VAL 44 Cb 0.11 -0.78 0.00 0.00 -0.91 0.00 0.00 33.84 32.25 1bx2 n VAL 44 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1bx2 n GLY 45 N 2.99 0.67 3.48 2.92 0.00 -0.95 -5.05 105.19 109.25 1bx2 n GLY 45 Ca -0.11 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.81 1bx2 n GLY 45 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1bx2 s GLU 46 N -0.99 1.32 0.62 1.61 -1.05 -1.26 -4.97 118.70 113.98 1bx2 s GLU 46 Ca 0.00 -0.75 -0.18 0.00 -0.15 0.00 0.00 54.97 53.89 1bx2 s GLU 46 Cb 0.00 0.53 -0.02 0.00 -0.44 0.00 0.00 34.13 34.20 1bx2 s GLU 46 CO 0.00 -0.56 1.18 -0.06 0.95 0.00 0.00 175.26 176.77 1bx2 s PHE 47 N -3.83 2.40 -0.03 4.83 0.40 -1.26 -4.19 117.98 116.30 1bx2 s PHE 47 Ca 0.06 1.54 -0.06 0.00 -0.60 0.00 0.00 56.93 57.87 1bx2 s PHE 47 Cb -0.01 -3.41 0.01 0.00 0.51 0.00 0.00 43.02 40.12 1bx2 s PHE 47 CO -0.06 -2.12 0.13 1.03 0.70 0.00 0.00 175.22 174.90 1bx2 s ARG 48 N -3.53 0.29 -0.21 0.44 1.81 -0.11 -4.96 118.95 112.68 1bx2 s ARG 48 Ca 0.75 -0.04 -0.19 0.00 -1.72 0.00 0.00 55.73 54.52 1bx2 s ARG 48 Cb -0.28 0.13 -0.03 0.00 -0.45 0.00 0.00 34.95 34.32 1bx2 s ARG 48 CO 0.35 -0.05 0.55 0.00 -0.68 0.00 0.00 175.30 175.47 1bx2 s ALA 49 N -0.50 3.55 -0.04 2.13 0.00 -1.26 -1.43 121.76 124.20 1bx2 s ALA 49 Ca -0.06 -0.39 -0.19 0.00 0.00 0.00 0.00 51.96 51.32 1bx2 s ALA 49 Cb -0.04 -2.87 -0.31 0.00 0.00 0.00 0.00 23.12 19.90 1bx2 s ALA 49 CO 0.01 -0.51 0.82 -0.39 0.00 0.00 0.00 175.76 175.68 1bx2 h VAL 50 N 5.17 1.32 -3.79 0.00 -1.51 -1.63 -3.46 116.25 112.35 1bx2 h VAL 50 Ca -0.32 -2.54 -0.68 0.00 -1.23 0.00 0.00 66.70 61.93 1bx2 h VAL 50 Cb 1.15 3.03 -0.20 0.00 -2.13 0.00 0.00 31.29 33.14 1bx2 h VAL 50 CO 0.75 0.74 -0.82 0.42 -1.23 0.00 0.00 177.57 177.43 1bx2 s THR 51 N -2.48 2.67 0.59 7.19 -4.23 -1.18 -5.00 115.64 113.19 1bx2 s THR 51 Ca -0.14 -1.57 0.29 0.00 -1.18 0.00 0.00 61.69 59.09 1bx2 s THR 51 Cb 0.03 -2.21 0.41 0.00 1.34 0.00 0.00 72.50 72.06 1bx2 s THR 51 CO 0.84 0.10 1.73 1.05 -0.54 0.00 0.00 174.62 177.81 1bx2 h GLU 52 N 3.80 0.00 -0.02 3.99 9.09 -1.89 0.76 114.58 130.32 1bx2 h GLU 52 Ca -0.50 0.00 0.01 0.00 0.05 0.00 0.00 59.36 58.92 1bx2 h GLU 52 Cb 1.17 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 28.27 1bx2 h GLU 52 CO 0.44 0.00 0.03 1.25 0.05 0.00 0.00 179.01 180.78 1bx2 h LEU 53 N 0.00 0.00 0.00 3.06 6.46 -1.95 -2.50 115.31 120.38 1bx2 h LEU 53 Ca 0.33 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 58.09 1bx2 h LEU 53 Cb 1.78 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 41.71 1bx2 h LEU 53 CO -0.00 0.00 -0.82 0.61 -0.62 0.00 0.00 178.44 177.61 1bx2 n GLY 54 N -1.32 -1.11 0.34 3.75 0.00 0.26 -4.49 105.19 102.62 1bx2 n GLY 54 Ca -0.02 -0.49 0.02 0.00 0.00 0.00 0.00 46.02 45.52 1bx2 n GLY 54 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1bx2 h ARG 55 N 0.00 -0.02 -0.99 1.61 2.43 -1.54 0.38 114.38 116.24 1bx2 h ARG 55 Ca 0.00 0.00 0.15 0.00 -0.81 0.00 0.00 59.98 59.32 1bx2 h ARG 55 Cb 0.52 0.00 -0.09 0.00 -0.42 0.00 0.00 29.97 29.98 1bx2 h ARG 55 CO 0.00 -0.01 0.61 -1.35 -1.51 0.00 0.00 179.97 177.71 1bx2 h PRO 56 N -0.02 0.86 0.04 0.20 0.11 -1.80 -1.61 132.00 129.78 1bx2 h PRO 56 Ca 0.39 -0.05 -0.07 0.00 0.11 0.00 0.00 66.00 66.38 1bx2 h PRO 56 Cb 0.63 -0.19 0.01 0.00 0.11 0.00 0.00 31.00 31.56 1bx2 h PRO 56 CO -0.92 0.57 -0.29 -0.44 -0.21 0.00 0.00 178.00 176.71 1bx2 h ASP 57 N 0.89 0.19 -0.98 -2.05 3.32 -1.31 -2.82 116.42 113.65 1bx2 h ASP 57 Ca 0.53 -0.92 0.15 0.00 0.02 0.00 0.00 57.03 56.81 1bx2 h ASP 57 Cb 0.66 -0.06 -0.09 0.00 0.22 0.00 0.00 39.33 40.06 1bx2 h ASP 57 CO -0.32 1.09 0.62 0.00 -1.72 0.00 0.00 179.24 178.91 1bx2 h ALA 58 N 0.10 1.65 -0.28 3.45 0.00 -1.00 0.25 119.26 123.44 1bx2 h ALA 58 Ca -0.05 0.04 -0.17 0.00 0.00 0.00 0.00 54.91 54.73 1bx2 h ALA 58 Cb 1.17 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.81 1bx2 h ALA 58 CO 0.05 0.06 -0.49 0.93 0.00 0.00 0.00 179.25 179.80 1bx2 h GLU 59 N 0.85 0.82 0.30 0.00 5.08 -1.39 -2.80 114.58 117.44 1bx2 h GLU 59 Ca 0.52 -0.51 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 1bx2 h GLU 59 Cb 0.69 0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.00 1bx2 h GLU 59 CO -0.29 1.14 -0.14 -0.92 -1.00 0.00 0.00 179.01 177.80 1bx2 h TYR 60 N 0.59 -0.37 -0.88 4.33 3.20 -1.02 -2.92 116.97 119.89 1bx2 h TYR 60 Ca 0.02 -0.01 0.26 0.00 3.14 0.00 0.00 58.73 62.13 1bx2 h TYR 60 Cb 1.10 0.12 -0.04 0.00 1.54 0.00 0.00 36.73 39.45 1bx2 h TYR 60 CO 0.08 -0.23 0.73 -1.49 -1.64 0.00 0.00 178.16 175.61 1bx2 h TRP 61 N -0.88 0.00 0.00 -3.82 6.55 -0.69 1.28 115.95 118.39 1bx2 h TRP 61 Ca -0.04 0.00 -0.07 0.00 0.95 0.00 0.00 58.89 59.73 1bx2 h TRP 61 Cb 0.31 0.00 -0.01 0.00 -0.86 0.00 0.00 29.16 28.60 1bx2 h TRP 61 CO 0.02 0.00 -0.35 -0.91 -1.05 0.00 0.00 178.44 176.15 1bx2 h ASN 62 N 0.00 0.00 0.42 -3.49 2.35 -1.53 -3.20 115.58 110.13 1bx2 h ASN 62 Ca 0.42 0.00 -0.20 0.00 -0.55 0.00 0.00 56.30 55.97 1bx2 h ASN 62 Cb 1.88 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 40.25 1bx2 h ASN 62 CO -0.00 0.35 -0.86 0.77 -1.65 0.00 0.00 177.43 176.03 1bx2 h SER 63 N 0.00 0.40 -3.45 5.81 4.64 0.18 -3.44 113.55 117.69 1bx2 h SER 63 Ca -0.00 -0.31 -0.61 0.00 -0.47 0.00 0.00 61.79 60.40 1bx2 h SER 63 Cb 1.07 -0.12 -0.11 0.00 -0.31 0.00 0.00 62.40 62.93 1bx2 h SER 63 CO 0.05 1.09 0.26 -1.10 -0.87 0.00 0.00 176.83 176.25 1bx2 s GLN 64 N -3.33 4.04 0.24 4.77 -1.52 -1.08 -4.97 119.66 117.81 1bx2 s GLN 64 Ca -0.05 0.56 -0.06 0.00 -1.95 0.00 0.00 55.36 53.87 1bx2 s GLN 64 Cb 0.10 -3.68 0.28 0.00 -0.22 0.00 0.00 33.01 29.48 1bx2 s GLN 64 CO 0.84 -0.52 1.90 1.57 -0.25 0.00 0.00 175.29 178.84 1bx2 h LYS 65 N 7.98 1.20 -0.62 2.91 2.10 -1.86 -2.88 116.57 125.40 1bx2 h LYS 65 Ca -0.26 -0.07 -0.05 0.00 -2.00 0.00 0.00 60.65 58.27 1bx2 h LYS 65 Cb 1.11 -0.27 -0.03 0.00 -0.90 0.00 0.00 32.23 32.14 1bx2 h LYS 65 CO 0.82 0.79 0.18 0.38 -2.00 0.00 0.00 179.45 179.62 1bx2 h ASP 66 N 1.23 0.88 1.00 7.07 2.03 -1.94 -0.24 116.42 126.45 1bx2 h ASP 66 Ca 0.37 -0.15 -0.06 0.00 -0.73 0.00 0.00 57.03 56.45 1bx2 h ASP 66 Cb -0.06 -0.23 -0.01 0.00 -0.83 0.00 0.00 39.33 38.20 1bx2 h ASP 66 CO -0.10 0.84 -0.30 0.40 -1.03 0.00 0.00 179.24 179.04 1bx2 h ILE 67 N 0.91 0.68 0.20 4.15 2.04 -1.83 -0.34 117.51 123.32 1bx2 h ILE 67 Ca 0.20 -1.38 -0.32 0.00 1.00 0.00 0.00 64.86 64.37 1bx2 h ILE 67 Cb 0.28 1.90 0.02 0.00 -0.74 0.00 0.00 36.82 38.29 1bx2 h ILE 67 CO -0.01 0.29 -1.42 -0.07 0.00 0.00 0.00 178.15 176.94 1bx2 h LEU 68 N 0.00 0.66 -0.21 1.44 -0.00 -1.22 -2.96 115.31 113.01 1bx2 h LEU 68 Ca -0.00 -0.73 -0.14 0.00 -0.00 0.00 0.00 57.88 57.00 1bx2 h LEU 68 Cb 0.88 -0.21 0.00 0.00 -0.00 0.00 0.00 40.66 41.33 1bx2 h LEU 68 CO 0.04 1.58 -0.43 -0.33 -0.00 0.00 0.00 178.44 179.30 1bx2 h GLU 69 N 0.11 0.67 -0.55 1.13 4.39 -0.92 -0.78 114.58 118.64 1bx2 h GLU 69 Ca -0.22 -0.43 0.09 0.00 0.34 0.00 0.00 59.36 59.14 1bx2 h GLU 69 Cb 2.09 0.05 -0.07 0.00 -0.10 0.00 0.00 28.75 30.72 1bx2 h GLU 69 CO 0.24 1.05 0.14 0.37 -1.16 0.00 0.00 179.01 179.65 1bx2 h GLN 70 N 0.37 0.28 -0.24 2.33 4.15 -1.16 -1.50 115.11 119.35 1bx2 h GLN 70 Ca 0.01 -0.02 -0.15 0.00 0.77 0.00 0.00 58.65 59.26 1bx2 h GLN 70 Cb 1.03 -0.06 -0.01 0.00 0.21 0.00 0.00 27.48 28.65 1bx2 h GLN 70 CO 0.10 0.19 -0.46 0.00 -1.93 0.00 0.00 178.83 176.72 1bx2 h ALA 71 N 1.41 0.75 0.00 3.38 0.00 -1.40 -2.85 119.26 120.55 1bx2 h ALA 71 Ca 0.28 -0.47 -0.07 0.00 0.00 0.00 0.00 54.91 54.64 1bx2 h ALA 71 Cb 0.37 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1bx2 h ALA 71 CO -0.33 0.67 -0.36 0.00 0.00 0.00 0.00 179.25 179.23 1bx2 h ARG 72 N 0.49 0.00 0.00 0.00 3.08 -0.53 -2.99 114.38 114.42 1bx2 h ARG 72 Ca 0.03 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.08 1bx2 h ARG 72 Cb 0.99 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.04 1bx2 h ARG 72 CO 0.09 0.36 -0.63 0.00 -1.07 0.00 0.00 179.97 178.72 1bx2 h ALA 73 N 1.64 0.60 -1.00 0.04 0.00 -1.27 -3.38 119.26 115.90 1bx2 h ALA 73 Ca -0.00 0.00 0.32 0.00 0.00 0.00 0.00 54.91 55.22 1bx2 h ALA 73 Cb 0.86 0.00 -0.15 0.00 0.00 0.00 0.00 17.79 18.51 1bx2 h ALA 73 CO 0.05 0.00 0.55 0.00 0.00 0.00 0.00 179.25 179.85 1bx2 h ALA 74 N 2.44 1.92 -0.72 0.00 0.00 -1.35 0.36 119.26 121.92 1bx2 h ALA 74 Ca 0.00 0.19 0.14 0.00 0.00 0.00 0.00 54.91 55.24 1bx2 h ALA 74 Cb 0.78 0.16 -0.05 0.00 0.00 0.00 0.00 17.79 18.68 1bx2 h ALA 74 CO 0.00 -0.56 0.48 0.28 0.00 0.00 0.00 179.25 179.45 1bx2 h VAL 75 N 0.32 0.82 0.00 0.00 2.07 -1.79 0.78 116.25 118.46 1bx2 h VAL 75 Ca 0.72 -0.14 0.00 0.00 0.82 0.00 0.00 66.70 68.10 1bx2 h VAL 75 Cb 1.64 0.36 0.00 0.00 -1.52 0.00 0.00 31.29 31.78 1bx2 h VAL 75 CO -0.61 0.08 -0.26 0.47 0.02 0.00 0.00 177.57 177.27 1bx2 n ASP 76 N -4.48 0.66 0.11 0.57 8.00 0.12 -2.12 116.55 119.42 1bx2 n ASP 76 Ca 0.13 0.26 0.08 0.00 0.71 0.00 0.00 54.79 55.97 1bx2 n ASP 76 Cb 0.49 -0.61 0.42 0.00 -0.02 0.00 0.00 41.12 41.40 1bx2 n ASP 76 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 1bx2 n THR 77 N -3.14 1.30 0.06 -3.53 -2.24 -0.45 -2.89 114.28 103.39 1bx2 n THR 77 Ca -0.04 0.65 0.00 0.00 -2.27 0.00 0.00 64.05 62.39 1bx2 n THR 77 Cb 0.14 -1.65 0.00 0.00 -2.10 0.00 0.00 70.33 66.72 1bx2 n THR 77 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1bx2 n TYR 78 N -2.04 -0.54 0.28 4.78 9.36 -0.29 -4.64 117.16 124.08 1bx2 n TYR 78 Ca -0.01 0.09 -0.16 0.00 3.32 0.00 0.00 57.90 61.14 1bx2 n TYR 78 Cb 0.03 0.15 -0.08 0.00 -0.63 0.00 0.00 39.34 38.81 1bx2 n TYR 78 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1bx2 h ARG 80 N -0.74 0.53 0.20 0.00 3.08 -1.37 -2.75 114.38 113.33 1bx2 h ARG 80 Ca -0.06 -0.14 0.00 0.00 0.07 0.00 0.00 59.98 59.85 1bx2 h ARG 80 Cb 0.60 -0.06 -0.03 0.00 0.08 0.00 0.00 29.97 30.56 1bx2 h ARG 80 CO 0.06 0.62 -0.41 1.25 -1.07 0.00 0.00 179.97 180.42 1bx2 h HIS 81 N 0.36 -1.17 -0.98 3.04 2.76 -1.54 -2.64 115.15 115.00 1bx2 h HIS 81 Ca 0.10 0.02 0.22 0.00 -2.20 0.00 0.00 60.37 58.52 1bx2 h HIS 81 Cb 0.34 0.48 -0.12 0.00 1.55 0.00 0.00 27.41 29.66 1bx2 h HIS 81 CO 0.02 -0.49 0.56 -0.91 -1.30 0.00 0.00 177.93 175.81 1bx2 h ASN 82 N -0.66 0.65 -0.65 3.26 2.35 -1.39 -0.15 115.58 118.98 1bx2 h ASN 82 Ca -0.02 0.13 -0.03 0.00 -0.55 0.00 0.00 56.30 55.83 1bx2 h ASN 82 Cb 0.63 0.03 -0.03 0.00 0.05 0.00 0.00 38.32 38.99 1bx2 h ASN 82 CO -0.16 0.14 0.30 0.22 -1.65 0.00 0.00 177.43 176.27 1bx2 h TYR 83 N 0.60 0.98 0.00 1.19 5.03 -1.27 -1.95 116.97 121.56 1bx2 h TYR 83 Ca 0.61 -0.05 -0.09 0.00 2.58 0.00 0.00 58.73 61.78 1bx2 h TYR 83 Cb 1.09 -0.30 -0.01 0.00 1.55 0.00 0.00 36.73 39.06 1bx2 h TYR 83 CO -0.03 0.73 -0.41 0.78 -1.32 0.00 0.00 178.16 177.91 1bx2 h GLY 84 N 1.04 0.00 2.00 1.82 0.00 -0.69 0.58 103.07 107.83 1bx2 h GLY 84 Ca 0.23 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.56 1bx2 h GLY 84 CO -0.03 0.00 -0.02 -2.08 0.00 0.00 0.00 176.54 174.42 1bx2 h VAL 85 N 0.00 0.03 0.00 4.60 2.07 -0.73 -3.35 116.25 118.88 1bx2 h VAL 85 Ca -0.00 -0.90 0.00 0.00 0.82 0.00 0.00 66.70 66.62 1bx2 h VAL 85 Cb 0.92 1.87 0.00 0.00 -1.52 0.00 0.00 31.29 32.56 1bx2 h VAL 85 CO 0.05 0.02 0.00 1.33 0.02 0.00 0.00 177.57 178.99 1bx2 n VAL 86 N -3.11 0.00 -0.30 2.57 0.24 -0.98 -4.75 118.33 112.00 1bx2 n VAL 86 Ca 0.03 -0.38 0.19 0.00 -2.04 0.00 0.00 64.34 62.13 1bx2 n VAL 86 Cb 0.47 1.13 0.46 0.00 -1.47 0.00 0.00 33.84 34.43 1bx2 n VAL 86 CO 0.00 0.00 0.00 -0.08 -2.14 0.00 0.00 176.83 174.61 1bx2 h GLU 87 N 0.00 0.49 -0.62 7.34 4.81 -1.01 -2.47 114.58 123.11 1bx2 h GLU 87 Ca 0.00 -0.03 0.04 0.00 -0.13 0.00 0.00 59.36 59.24 1bx2 h GLU 87 Cb 0.07 -0.11 -0.05 0.00 0.63 0.00 0.00 28.75 29.29 1bx2 h GLU 87 CO 0.00 0.32 0.36 0.66 -0.73 0.00 0.00 179.01 179.63 1bx2 h SER 88 N 0.50 0.57 -0.47 1.04 4.64 -1.85 -2.23 113.55 115.75 1bx2 h SER 88 Ca 0.55 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.88 1bx2 h SER 88 Cb 1.22 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 63.21 1bx2 h SER 88 CO -0.28 0.38 0.00 2.22 -0.87 0.00 0.00 176.83 178.28 1bx2 n PHE 89 N -4.77 1.00 0.03 4.77 -1.74 -0.98 -4.22 117.46 111.55 1bx2 n PHE 89 Ca 0.07 -0.63 0.00 0.00 -0.56 0.00 0.00 57.45 56.33 1bx2 n PHE 89 Cb 0.12 -0.17 0.00 0.00 1.52 0.00 0.00 39.48 40.95 1bx2 n PHE 89 CO 0.00 0.00 0.00 0.25 -0.56 0.00 0.00 176.76 176.45 1bx2 n THR 90 N 0.59 0.09 -0.20 1.97 -2.24 -0.97 -4.55 114.28 108.97 1bx2 n THR 90 Ca 0.20 0.03 -0.00 0.00 -2.27 0.00 0.00 64.05 62.01 1bx2 n THR 90 Cb 0.73 -0.45 0.24 0.00 -2.10 0.00 0.00 70.33 68.74 1bx2 n THR 90 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 1bx2 h VAL 91 N 0.00 1.20 -0.01 2.28 2.07 -1.65 -2.71 116.25 117.43 1bx2 h VAL 91 Ca 0.00 -0.44 0.00 0.00 0.82 0.00 0.00 66.70 67.08 1bx2 h VAL 91 Cb 0.00 0.20 0.00 0.00 -1.52 0.00 0.00 31.29 29.97 1bx2 h VAL 91 CO 0.00 0.21 -0.31 0.00 0.02 0.00 0.00 177.57 177.48 1bx2 n GLN 92 N -4.39 1.15 -1.98 1.57 1.13 -0.87 -4.94 117.38 109.05 1bx2 n GLN 92 Ca 0.07 -0.83 -0.42 0.00 -1.94 0.00 0.00 57.00 53.88 1bx2 n GLN 92 Cb 0.07 -1.48 -0.03 0.00 0.11 0.00 0.00 30.24 28.91 1bx2 n GLN 92 CO 0.00 0.00 0.00 0.50 -1.44 0.00 0.00 177.06 176.12 1bx2 s ARG 93 N -2.42 4.23 -0.04 -1.09 3.52 -1.02 -4.99 118.95 117.14 1bx2 s ARG 93 Ca 0.23 2.30 -0.00 0.00 -0.13 0.00 0.00 55.73 58.13 1bx2 s ARG 93 Cb 0.19 -3.20 0.03 0.00 -1.56 0.00 0.00 34.95 30.40 1bx2 s ARG 93 CO 0.51 -0.58 0.01 1.03 -0.81 0.00 0.00 175.30 175.46 1bx2 s ARG 94 N 1.24 0.27 -0.05 5.12 3.00 -1.26 -4.14 118.95 123.13 1bx2 s ARG 94 Ca 0.69 0.14 0.01 0.00 0.00 0.00 0.00 55.73 56.57 1bx2 s ARG 94 Cb -0.42 -0.55 0.02 0.00 0.00 0.00 0.00 34.95 34.00 1bx2 s ARG 94 CO 0.31 -0.20 -0.06 0.08 0.00 0.00 0.00 175.30 175.43 1bx2 s VAL 95 N 1.37 0.68 0.23 3.52 1.01 0.67 -4.97 120.40 122.91 1bx2 s VAL 95 Ca -0.05 -0.19 -0.30 0.00 0.00 0.00 0.00 61.98 61.44 1bx2 s VAL 95 Cb -0.13 -0.69 -0.09 0.00 0.00 0.00 0.00 36.38 35.47 1bx2 s VAL 95 CO -0.03 0.26 1.11 -1.58 0.00 0.00 0.00 175.10 174.87 1bx2 s GLN 96 N 0.99 4.61 1.17 2.72 0.74 -1.26 -2.40 119.66 126.23 1bx2 s GLN 96 Ca -0.10 1.77 -0.13 0.00 0.05 0.00 0.00 55.36 56.96 1bx2 s GLN 96 Cb -0.14 -3.23 0.29 0.00 1.10 0.00 0.00 33.01 31.02 1bx2 s GLN 96 CO -0.00 0.13 1.03 -2.14 -0.55 0.00 0.00 175.29 173.76 1bx2 s PRO 97 N -0.87 -0.96 -0.35 1.67 0.02 -1.26 -4.42 135.00 128.82 1bx2 s PRO 97 Ca 0.47 0.76 -0.00 0.00 0.02 0.00 0.00 61.00 62.25 1bx2 s PRO 97 Cb -0.31 -1.55 0.12 0.00 0.02 0.00 0.00 34.50 32.78 1bx2 s PRO 97 CO 0.38 -3.73 0.18 0.21 -0.33 0.00 0.00 177.00 173.70 1bx2 s LYS 98 N -4.50 0.68 0.08 5.54 2.36 -0.34 -4.92 119.74 118.64 1bx2 s LYS 98 Ca 0.68 -1.27 -0.25 0.00 -2.55 0.00 0.00 55.97 52.58 1bx2 s LYS 98 Cb -0.25 -1.65 -0.06 0.00 -1.05 0.00 0.00 37.83 34.82 1bx2 s LYS 98 CO 0.64 -1.11 0.78 0.08 1.55 0.00 0.00 175.35 177.29 1bx2 s VAL 99 N 1.23 4.61 -0.01 4.02 1.01 -1.26 -2.66 120.40 127.34 1bx2 s VAL 99 Ca 0.14 1.68 0.00 0.00 0.00 0.00 0.00 61.98 63.80 1bx2 s VAL 99 Cb -0.21 -4.13 0.01 0.00 0.00 0.00 0.00 36.38 32.05 1bx2 s VAL 99 CO -0.12 0.41 0.01 -0.89 0.00 0.00 0.00 175.10 174.51 1bx2 s THR 100 N -0.36 0.01 -0.06 3.92 2.01 -0.99 -5.00 115.64 115.17 1bx2 s THR 100 Ca 0.38 0.09 0.05 0.00 0.31 0.00 0.00 61.69 62.53 1bx2 s THR 100 Cb -0.21 -0.08 -0.01 0.00 0.01 0.00 0.00 72.50 72.21 1bx2 s THR 100 CO 0.24 0.06 -0.23 -0.69 -0.69 0.00 0.00 174.62 173.31 1bx2 s VAL 101 N 0.54 2.21 -0.23 3.82 1.01 -1.26 -0.61 120.40 125.88 1bx2 s VAL 101 Ca -0.05 -1.01 -0.27 0.00 0.00 0.00 0.00 61.98 60.66 1bx2 s VAL 101 Cb -0.07 -1.82 0.12 0.00 0.00 0.00 0.00 36.38 34.61 1bx2 s VAL 101 CO -0.01 0.57 0.99 -0.72 0.00 0.00 0.00 175.10 175.92 1bx2 s TYR 102 N -0.16 -0.46 0.40 5.22 -0.85 -0.50 -5.00 117.35 116.00 1bx2 s TYR 102 Ca -0.03 1.02 -0.14 0.00 -0.52 0.00 0.00 57.07 57.39 1bx2 s TYR 102 Cb -0.14 0.39 -0.08 0.00 0.38 0.00 0.00 41.96 42.51 1bx2 s TYR 102 CO 0.04 -0.29 0.82 -1.25 -1.52 0.00 0.00 175.55 173.34 1bx2 s PRO 103 N -0.27 3.95 0.11 -3.49 0.04 -1.26 -0.45 135.00 133.63 1bx2 s PRO 103 Ca 0.01 0.71 -0.06 0.00 0.04 0.00 0.00 61.00 61.70 1bx2 s PRO 103 Cb -0.03 -2.33 -0.05 0.00 0.04 0.00 0.00 34.50 32.12 1bx2 s PRO 103 CO -0.03 -0.00 0.36 -1.54 0.04 0.00 0.00 177.00 175.83 1bx2 s SER 104 N -2.69 6.52 0.06 6.66 1.04 -0.45 -4.83 113.70 120.02 1bx2 s SER 104 Ca 0.55 0.62 0.00 0.00 0.48 0.00 0.00 55.95 57.60 1bx2 s SER 104 Cb -0.10 -2.11 0.00 0.00 0.10 0.00 0.00 66.02 63.91 1bx2 s SER 104 CO 0.24 0.11 0.00 0.29 0.98 0.00 0.00 173.24 174.86 1bx2 n LYS 105 N 0.41 -3.27 -2.95 4.02 5.02 -1.26 -4.36 118.16 115.77 1bx2 n LYS 105 Ca -0.05 2.54 -0.44 0.00 -2.02 0.00 0.00 58.31 58.35 1bx2 n LYS 105 Cb 0.52 -2.87 -0.02 0.00 -0.02 0.00 0.00 35.03 32.64 1bx2 n LYS 105 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1bx2 s THR 106 N -0.34 4.82 0.22 -0.18 2.01 -1.26 -4.94 115.64 115.97 1bx2 s THR 106 Ca 0.00 -1.75 0.07 0.00 0.31 0.00 0.00 61.69 60.31 1bx2 s THR 106 Cb 0.00 -4.78 -0.04 0.00 0.01 0.00 0.00 72.50 67.70 1bx2 s THR 106 CO 0.00 -1.49 0.16 -1.10 -0.69 0.00 0.00 174.62 171.50 1bx2 s GLN 107 N 2.41 2.86 0.85 4.92 -0.21 -1.26 -5.11 119.66 124.11 1bx2 s GLN 107 Ca 0.33 -1.02 -0.11 0.00 0.02 0.00 0.00 55.36 54.58 1bx2 s GLN 107 Cb -0.05 -2.56 0.10 0.00 1.00 0.00 0.00 33.01 31.51 1bx2 s GLN 107 CO -0.08 0.43 1.11 -2.14 -2.12 0.00 0.00 175.29 172.48 1bx2 s PRO 108 N -3.57 1.64 0.58 2.91 0.02 -1.26 -4.96 135.00 130.36 1bx2 s PRO 108 Ca 0.32 1.25 -0.19 0.00 0.02 0.00 0.00 61.00 62.40 1bx2 s PRO 108 Cb -0.08 -1.82 -0.04 0.00 0.02 0.00 0.00 34.50 32.58 1bx2 s PRO 108 CO 0.24 -2.11 1.20 -0.51 -0.33 0.00 0.00 177.00 175.49 1bx2 s LEU 109 N -6.23 3.69 0.00 -5.54 2.01 -1.26 -3.86 118.68 107.49 1bx2 s LEU 109 Ca 0.63 2.36 0.00 0.00 0.01 0.00 0.00 54.13 57.14 1bx2 s LEU 109 Cb -0.19 -4.59 0.00 0.00 0.01 0.00 0.00 46.19 41.42 1bx2 s LEU 109 CO 0.57 -1.53 0.00 0.00 1.01 0.00 0.00 176.35 176.40 1bx2 n GLN 110 N -1.52 0.00 -3.43 1.70 -0.00 -0.60 -5.06 117.38 108.47 1bx2 n GLN 110 Ca 0.13 0.40 -0.20 0.00 -0.00 0.00 0.00 57.00 57.33 1bx2 n GLN 110 Cb 0.50 -3.57 -0.02 0.00 -0.00 0.00 0.00 30.24 27.15 1bx2 n GLN 110 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.06 177.78 1bx2 n HIS 111 N -2.92 -0.18 -3.00 2.61 -0.00 -1.25 -4.92 115.22 105.56 1bx2 n HIS 111 Ca 0.00 -1.68 -0.33 0.00 -0.00 0.00 0.00 57.72 55.71 1bx2 n HIS 111 Cb 0.00 -0.28 -0.06 0.00 -0.00 0.00 0.00 29.99 29.64 1bx2 n HIS 111 CO 0.00 0.00 0.00 -3.38 -0.00 0.00 0.00 176.34 172.96 1bx2 s HIS 112 N -2.06 3.38 0.21 4.41 0.00 -1.26 -3.99 115.29 115.98 1bx2 s HIS 112 Ca 0.13 1.40 -0.10 0.00 -3.00 0.00 0.00 55.06 53.48 1bx2 s HIS 112 Cb -0.01 -2.67 -0.01 0.00 -4.00 0.00 0.00 32.58 25.89 1bx2 s HIS 112 CO 0.08 0.04 0.36 1.21 -1.00 0.00 0.00 174.74 175.43 1bx2 s ASN 113 N -2.17 -0.02 -0.23 7.38 3.04 0.83 -4.99 114.94 118.78 1bx2 s ASN 113 Ca 0.56 -0.94 -0.01 0.00 0.04 0.00 0.00 52.86 52.52 1bx2 s ASN 113 Cb -0.11 0.50 0.06 0.00 -1.54 0.00 0.00 41.25 40.17 1bx2 s ASN 113 CO 0.16 -1.00 -0.01 -0.22 -3.04 0.00 0.00 177.10 172.99 1bx2 s LEU 114 N -3.01 2.08 -0.17 3.21 2.96 -1.26 -1.11 118.68 121.38 1bx2 s LEU 114 Ca 0.22 -1.09 -0.22 0.00 -0.22 0.00 0.00 54.13 52.82 1bx2 s LEU 114 Cb 0.02 -0.96 -0.03 0.00 0.50 0.00 0.00 46.19 45.73 1bx2 s LEU 114 CO 0.05 -0.27 0.66 -0.76 -1.32 0.00 0.00 176.35 174.71 1bx2 s LEU 115 N 1.57 4.18 -0.20 -0.68 1.02 -0.03 -1.33 118.68 123.21 1bx2 s LEU 115 Ca -0.03 0.93 -0.08 0.00 0.02 0.00 0.00 54.13 54.97 1bx2 s LEU 115 Cb -0.18 -2.95 -0.04 0.00 0.02 0.00 0.00 46.19 43.04 1bx2 s LEU 115 CO -0.08 -0.25 0.09 -0.69 0.02 0.00 0.00 176.35 175.44 1bx2 s VAL 116 N 1.70 4.93 -0.39 -1.59 1.01 0.40 -1.32 120.40 125.13 1bx2 s VAL 116 Ca 0.31 0.02 -0.04 0.00 0.00 0.00 0.00 61.98 62.27 1bx2 s VAL 116 Cb -0.16 -3.24 0.09 0.00 0.00 0.00 0.00 36.38 33.07 1bx2 s VAL 116 CO 0.12 0.43 0.18 0.00 0.00 0.00 0.00 175.10 175.82 1bx2 s SER 118 N 1.78 6.20 -0.24 0.00 0.15 0.22 -2.00 113.70 119.80 1bx2 s SER 118 Ca 0.05 -1.17 -0.15 0.00 0.70 0.00 0.00 55.95 55.38 1bx2 s SER 118 Cb -0.22 -2.31 -0.04 0.00 -1.71 0.00 0.00 66.02 61.74 1bx2 s SER 118 CO -0.03 -1.05 0.39 -0.69 1.20 0.00 0.00 173.24 173.07 1bx2 s VAL 119 N 2.79 5.18 0.05 4.45 1.01 -0.24 -2.33 120.40 131.30 1bx2 s VAL 119 Ca 0.14 0.65 -0.05 0.00 0.00 0.00 0.00 61.98 62.72 1bx2 s VAL 119 Cb -0.21 -3.72 -0.02 0.00 0.00 0.00 0.00 36.38 32.43 1bx2 s VAL 119 CO 0.09 0.19 0.08 -0.94 0.00 0.00 0.00 175.10 174.51 1bx2 s SER 120 N 1.39 0.25 0.00 3.32 1.04 -1.09 -0.50 113.70 118.12 1bx2 s SER 120 Ca 0.17 -0.68 0.00 0.00 0.48 0.00 0.00 55.95 55.92 1bx2 s SER 120 Cb -0.15 0.24 0.00 0.00 0.10 0.00 0.00 66.02 66.20 1bx2 s SER 120 CO 0.09 -0.57 0.00 0.61 0.98 0.00 0.00 173.24 174.35 1bx2 n GLY 121 N 0.45 0.41 3.95 7.32 0.00 -0.33 -1.20 105.19 115.79 1bx2 n GLY 121 Ca -0.17 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.60 1bx2 n GLY 121 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1bx2 s PHE 122 N -1.85 2.52 -0.29 1.61 -0.71 -1.17 -4.62 117.98 113.46 1bx2 s PHE 122 Ca 0.00 0.20 -0.18 0.00 -1.04 0.00 0.00 56.93 55.90 1bx2 s PHE 122 Cb 0.00 -3.16 0.16 0.00 -1.21 0.00 0.00 43.02 38.81 1bx2 s PHE 122 CO 0.00 -1.48 1.08 -0.47 -1.34 0.00 0.00 175.22 173.01 1bx2 s TYR 123 N -3.19 -0.41 1.32 3.49 6.14 -1.01 -0.46 117.35 123.23 1bx2 s TYR 123 Ca 0.62 0.86 -0.20 0.00 0.64 0.00 0.00 57.07 58.99 1bx2 s TYR 123 Cb -0.09 0.30 0.33 0.00 0.42 0.00 0.00 41.96 42.92 1bx2 s TYR 123 CO 0.44 -0.20 0.99 -2.14 0.64 0.00 0.00 175.55 175.28 1bx2 s PRO 124 N 0.99 -2.16 0.00 4.97 0.02 -1.26 -0.24 135.00 137.33 1bx2 s PRO 124 Ca -0.06 0.18 0.29 0.00 0.02 0.00 0.00 61.00 61.44 1bx2 s PRO 124 Cb -0.04 -1.46 1.36 0.00 0.02 0.00 0.00 34.50 34.38 1bx2 s PRO 124 CO -0.13 -4.38 1.94 0.41 -0.33 0.00 0.00 177.00 174.51 1bx2 n GLY 125 N 0.63 -1.04 3.69 0.52 0.00 -1.26 -4.80 105.19 102.93 1bx2 n GLY 125 Ca 0.11 -0.23 -0.42 0.00 0.00 0.00 0.00 46.02 45.48 1bx2 n GLY 125 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1bx2 s SER 126 N -2.47 6.97 0.15 1.61 0.15 -1.26 -4.99 113.70 113.87 1bx2 s SER 126 Ca 0.30 1.96 -0.23 0.00 0.70 0.00 0.00 55.95 58.67 1bx2 s SER 126 Cb 0.20 -2.56 0.07 0.00 -1.71 0.00 0.00 66.02 62.02 1bx2 s SER 126 CO 0.46 -0.63 0.61 -0.51 1.20 0.00 0.00 173.24 174.37 1bx2 s ILE 127 N 2.15 0.00 -0.12 6.45 2.07 -1.26 -4.55 121.20 125.94 1bx2 s ILE 127 Ca 0.59 0.00 -0.04 0.00 -1.41 0.00 0.00 60.65 59.79 1bx2 s ILE 127 Cb -0.28 -1.00 0.05 0.00 0.13 0.00 0.00 42.46 41.36 1bx2 s ILE 127 CO 0.24 0.00 0.08 -1.61 -1.91 0.00 0.00 174.94 171.75 1bx2 s GLU 128 N -3.63 0.01 -0.14 3.50 2.02 -0.62 -4.98 118.70 114.85 1bx2 s GLU 128 Ca 0.00 0.09 -0.03 0.00 0.02 0.00 0.00 54.97 55.06 1bx2 s GLU 128 Cb -0.01 -1.34 -0.03 0.00 0.10 0.00 0.00 34.13 32.86 1bx2 s GLU 128 CO -0.12 -0.55 -0.04 0.08 0.02 0.00 0.00 175.26 174.66 1bx2 s VAL 129 N 2.15 3.92 0.07 2.63 1.01 -1.26 -0.76 120.40 128.16 1bx2 s VAL 129 Ca 0.03 -0.35 0.05 0.00 0.00 0.00 0.00 61.98 61.70 1bx2 s VAL 129 Cb -0.15 -2.70 -0.03 0.00 0.00 0.00 0.00 36.38 33.50 1bx2 s VAL 129 CO -0.07 0.51 -0.13 -0.13 0.00 0.00 0.00 175.10 175.28 1bx2 s ARG 130 N 0.19 0.77 -0.04 2.72 0.52 -0.45 -4.98 118.95 117.69 1bx2 s ARG 130 Ca -0.02 -0.92 0.03 0.00 -0.52 0.00 0.00 55.73 54.31 1bx2 s ARG 130 Cb -0.14 -0.74 -0.03 0.00 0.52 0.00 0.00 34.95 34.56 1bx2 s ARG 130 CO 0.03 0.16 -0.10 -1.58 0.02 0.00 0.00 175.30 173.83 1bx2 s TRP 131 N -1.27 2.81 0.02 -0.53 0.52 -1.26 -0.83 118.94 118.39 1bx2 s TRP 131 Ca -0.03 -0.08 0.02 0.00 0.02 0.00 0.00 56.10 56.02 1bx2 s TRP 131 Cb -0.10 -1.64 -0.01 0.00 -1.15 0.00 0.00 33.47 30.57 1bx2 s TRP 131 CO 0.02 0.28 -0.06 -0.06 0.02 0.00 0.00 176.95 177.16 1bx2 s PHE 132 N -0.83 0.49 -0.21 -1.98 0.40 -0.29 -1.46 117.98 114.09 1bx2 s PHE 132 Ca 0.13 -0.27 0.02 0.00 -0.60 0.00 0.00 56.93 56.21 1bx2 s PHE 132 Cb -0.11 -0.30 0.04 0.00 0.51 0.00 0.00 43.02 43.16 1bx2 s PHE 132 CO 0.03 -0.05 -0.14 -1.17 0.70 0.00 0.00 175.22 174.58 1bx2 s LEU 133 N -0.77 2.57 -1.21 -0.37 2.96 0.11 -0.73 118.68 121.24 1bx2 s LEU 133 Ca -0.04 -0.94 -0.15 0.00 -0.22 0.00 0.00 54.13 52.77 1bx2 s LEU 133 Cb -0.05 -1.43 -0.01 0.00 0.50 0.00 0.00 46.19 45.20 1bx2 s LEU 133 CO -0.00 -0.10 0.70 0.59 -1.32 0.00 0.00 176.35 176.22 1bx2 n ASN 134 N 4.58 -3.92 0.00 3.68 3.02 0.86 -1.54 115.26 121.94 1bx2 n ASN 134 Ca -0.17 -1.01 0.00 0.00 -0.03 0.00 0.00 54.58 53.37 1bx2 n ASN 134 Cb 0.47 -3.31 0.00 0.00 -0.61 0.00 0.00 39.78 36.33 1bx2 n ASN 134 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1bx2 n GLY 135 N -1.75 1.30 3.66 7.41 0.00 -1.26 -4.96 105.19 109.59 1bx2 n GLY 135 Ca -0.15 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.52 1bx2 n GLY 135 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1bx2 s GLN 136 N -0.06 4.03 0.08 1.61 -1.52 -0.59 -5.05 119.66 118.16 1bx2 s GLN 136 Ca 0.00 -0.31 -0.31 0.00 -1.95 0.00 0.00 55.36 52.79 1bx2 s GLN 136 Cb 0.00 -3.28 -0.08 0.00 -0.22 0.00 0.00 33.01 29.43 1bx2 s GLN 136 CO 0.00 0.27 1.49 -2.00 -0.25 0.00 0.00 175.29 174.80 1bx2 s GLU 137 N 0.41 4.26 -0.28 2.91 2.12 -1.26 0.09 118.70 126.95 1bx2 s GLU 137 Ca 0.05 2.15 -0.22 0.00 0.36 0.00 0.00 54.97 57.31 1bx2 s GLU 137 Cb -0.12 -3.42 -0.01 0.00 0.26 0.00 0.00 34.13 30.84 1bx2 s GLU 137 CO -0.00 -0.58 0.72 -1.21 -0.54 0.00 0.00 175.26 173.64 1bx2 s GLU 138 N 1.88 4.05 0.00 4.30 0.41 -0.54 -4.90 118.70 123.91 1bx2 s GLU 138 Ca 0.68 0.60 0.20 0.00 -0.41 0.00 0.00 54.97 56.03 1bx2 s GLU 138 Cb -0.37 -3.68 0.29 0.00 -1.78 0.00 0.00 34.13 28.59 1bx2 s GLU 138 CO 0.30 -0.54 1.25 1.63 -0.49 0.00 0.00 175.26 177.41 1bx2 n LYS 139 N 5.94 2.13 -4.20 1.61 5.02 -1.26 -4.59 118.16 122.81 1bx2 n LYS 139 Ca 0.02 -1.97 -0.12 0.00 -2.02 0.00 0.00 58.31 54.21 1bx2 n LYS 139 Cb 0.48 -1.42 -0.10 0.00 -0.02 0.00 0.00 35.03 33.97 1bx2 n LYS 139 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1bx2 s ALA 140 N -1.45 1.15 0.00 7.82 0.00 -1.26 -4.86 121.76 123.17 1bx2 s ALA 140 Ca 0.30 -1.39 0.00 0.00 0.00 0.00 0.00 51.96 50.87 1bx2 s ALA 140 Cb 0.18 0.11 0.00 0.00 0.00 0.00 0.00 23.12 23.42 1bx2 s ALA 140 CO 0.26 -0.17 0.00 0.41 0.00 0.00 0.00 175.76 176.26 1bx2 n GLY 141 N -0.06 0.59 3.73 0.00 0.00 -1.26 -4.85 105.19 103.35 1bx2 n GLY 141 Ca -0.12 -0.12 -0.37 0.00 0.00 0.00 0.00 46.02 45.41 1bx2 n GLY 141 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1bx2 s MET 142 N -0.41 4.23 -0.22 1.61 1.00 -1.26 -1.46 119.30 122.80 1bx2 s MET 142 Ca 0.00 0.14 0.00 0.00 0.00 0.00 0.00 55.69 55.83 1bx2 s MET 142 Cb 0.00 -3.41 0.03 0.00 0.00 0.00 0.00 34.83 31.44 1bx2 s MET 142 CO 0.00 0.26 -0.13 0.08 0.00 0.00 0.00 175.02 175.22 1bx2 s VAL 143 N 0.39 2.40 0.20 -6.03 1.01 0.46 -4.95 120.40 113.89 1bx2 s VAL 143 Ca 0.18 -1.05 0.09 0.00 0.00 0.00 0.00 61.98 61.19 1bx2 s VAL 143 Cb -0.13 -2.15 -0.04 0.00 0.00 0.00 0.00 36.38 34.06 1bx2 s VAL 143 CO 0.05 0.34 -0.04 -0.55 0.00 0.00 0.00 175.10 174.90 1bx2 s SER 144 N 1.28 4.50 0.00 3.32 0.15 -1.26 -0.47 113.70 121.22 1bx2 s SER 144 Ca 0.01 -0.54 0.24 0.00 0.70 0.00 0.00 55.95 56.37 1bx2 s SER 144 Cb -0.15 -0.85 0.34 0.00 -1.71 0.00 0.00 66.02 63.64 1bx2 s SER 144 CO -0.09 0.07 1.30 0.35 1.20 0.00 0.00 173.24 176.07 1bx2 n THR 145 N -0.28 0.00 -0.28 6.45 -2.24 -0.34 -5.01 114.28 112.58 1bx2 n THR 145 Ca -0.09 -0.04 0.01 0.00 -2.27 0.00 0.00 64.05 61.66 1bx2 n THR 145 Cb 0.56 0.51 -0.00 0.00 -2.10 0.00 0.00 70.33 69.31 1bx2 n THR 145 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1bx2 n GLY 146 N 1.47 -2.24 3.73 3.38 0.00 -1.26 -4.84 105.19 105.42 1bx2 n GLY 146 Ca 0.06 -1.52 -0.41 0.00 0.00 0.00 0.00 46.02 44.16 1bx2 n GLY 146 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1bx2 s LEU 147 N 0.00 4.47 -0.16 0.99 2.96 -1.26 -4.47 118.68 121.22 1bx2 s LEU 147 Ca 0.00 1.89 0.02 0.00 -0.22 0.00 0.00 54.13 55.82 1bx2 s LEU 147 Cb 0.00 -3.59 0.01 0.00 0.50 0.00 0.00 46.19 43.11 1bx2 s LEU 147 CO 0.00 -0.17 -0.21 -0.63 -1.32 0.00 0.00 176.35 174.03 1bx2 s ILE 148 N 0.11 2.04 -0.43 6.68 1.01 -0.62 -5.00 121.20 124.99 1bx2 s ILE 148 Ca 0.49 -0.95 -0.23 0.00 0.00 0.00 0.00 60.65 59.96 1bx2 s ILE 148 Cb -0.25 -1.82 0.02 0.00 0.01 0.00 0.00 42.46 40.42 1bx2 s ILE 148 CO 0.31 0.54 0.79 -1.58 0.00 0.00 0.00 174.94 175.01 1bx2 s GLN 149 N 1.04 3.50 0.05 2.79 0.74 -1.26 -2.09 119.66 124.43 1bx2 s GLN 149 Ca -0.02 0.01 0.19 0.00 0.05 0.00 0.00 55.36 55.60 1bx2 s GLN 149 Cb -0.14 -3.91 0.80 0.00 1.10 0.00 0.00 33.01 30.86 1bx2 s GLN 149 CO -0.07 -1.06 1.61 0.09 -0.55 0.00 0.00 175.29 175.31 1bx2 n ASN 150 N 6.67 0.15 0.00 6.67 3.02 -0.96 -4.89 115.26 125.92 1bx2 n ASN 150 Ca 0.03 0.53 0.00 0.00 -0.03 0.00 0.00 54.58 55.11 1bx2 n ASN 150 Cb 0.48 -0.57 0.00 0.00 -0.61 0.00 0.00 39.78 39.09 1bx2 n ASN 150 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1bx2 n GLY 151 N 0.34 1.16 0.65 7.41 0.00 -1.26 -4.84 105.19 108.65 1bx2 n GLY 151 Ca 0.04 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.11 1bx2 n GLY 151 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1bx2 n ASP 152 N 0.00 2.47 -0.41 1.61 5.68 -1.26 -4.94 116.55 119.70 1bx2 n ASP 152 Ca 0.00 -3.49 -0.04 0.00 -0.50 0.00 0.00 54.79 50.76 1bx2 n ASP 152 Cb 0.00 -0.53 -0.00 0.00 -1.14 0.00 0.00 41.12 39.44 1bx2 n ASP 152 CO 0.00 0.00 0.00 0.79 -1.33 0.00 0.00 177.20 176.66 1bx2 n TRP 153 N -1.11 -0.15 -4.08 2.11 7.02 -1.26 -5.05 117.44 114.92 1bx2 n TRP 153 Ca 0.22 0.00 -0.07 0.00 -1.02 0.00 0.00 57.50 56.63 1bx2 n TRP 153 Cb 0.80 -1.47 -0.10 0.00 -2.42 0.00 0.00 31.31 28.13 1bx2 n TRP 153 CO 0.00 0.00 0.00 0.95 -2.02 0.00 0.00 177.69 176.62 1bx2 s THR 154 N -2.18 0.22 0.43 -0.99 -4.23 -1.26 -4.71 115.64 102.92 1bx2 s THR 154 Ca 0.00 -1.79 0.03 0.00 -1.18 0.00 0.00 61.69 58.76 1bx2 s THR 154 Cb 0.00 -1.52 -0.03 0.00 1.34 0.00 0.00 72.50 72.30 1bx2 s THR 154 CO 0.00 -0.98 0.09 -0.36 -0.54 0.00 0.00 174.62 172.83 1bx2 s PHE 155 N -3.92 1.83 0.15 3.99 0.40 0.39 -2.27 117.98 118.55 1bx2 s PHE 155 Ca 0.07 -1.18 -0.23 0.00 -0.60 0.00 0.00 56.93 54.99 1bx2 s PHE 155 Cb 0.08 -1.28 0.07 0.00 0.51 0.00 0.00 43.02 42.40 1bx2 s PHE 155 CO -0.10 -0.15 0.61 1.14 0.70 0.00 0.00 175.22 177.42 1bx2 s GLN 156 N -3.76 1.26 -0.06 0.44 -2.07 -0.89 -1.19 119.66 113.40 1bx2 s GLN 156 Ca 0.21 -0.43 -0.29 0.00 -1.82 0.00 0.00 55.36 53.03 1bx2 s GLN 156 Cb 0.03 0.58 0.10 0.00 -1.09 0.00 0.00 33.01 32.63 1bx2 s GLN 156 CO 0.12 -0.55 0.86 -0.08 -1.32 0.00 0.00 175.29 174.32 1bx2 s THR 157 N -3.60 0.00 -0.02 3.63 -1.32 0.35 -1.59 115.64 113.08 1bx2 s THR 157 Ca 0.00 0.00 0.03 0.00 -1.21 0.00 0.00 61.69 60.52 1bx2 s THR 157 Cb -0.01 -1.00 -0.00 0.00 -1.51 0.00 0.00 72.50 69.98 1bx2 s THR 157 CO -0.12 0.00 -0.11 -0.76 -2.21 0.00 0.00 174.62 171.42 1bx2 s LEU 158 N -1.73 1.88 -0.08 9.08 1.02 -1.26 -1.08 118.68 126.51 1bx2 s LEU 158 Ca -0.01 -0.22 -0.00 0.00 0.02 0.00 0.00 54.13 53.91 1bx2 s LEU 158 Cb -0.01 -0.64 0.02 0.00 0.02 0.00 0.00 46.19 45.58 1bx2 s LEU 158 CO -0.02 0.11 -0.05 -0.69 0.02 0.00 0.00 176.35 175.72 1bx2 s VAL 159 N 0.02 0.72 0.25 -1.59 1.01 -0.85 -1.20 120.40 118.76 1bx2 s VAL 159 Ca -0.01 -0.14 0.10 0.00 0.00 0.00 0.00 61.98 61.93 1bx2 s VAL 159 Cb -0.08 -0.77 -0.05 0.00 0.00 0.00 0.00 36.38 35.49 1bx2 s VAL 159 CO 0.00 0.30 -0.11 -0.04 0.00 0.00 0.00 175.10 175.25 1bx2 s MET 160 N 1.47 1.96 -0.03 2.72 -1.94 0.38 -0.88 119.30 122.99 1bx2 s MET 160 Ca -0.01 -1.52 0.02 0.00 -1.71 0.00 0.00 55.69 52.47 1bx2 s MET 160 Cb -0.13 -2.00 0.01 0.00 2.01 0.00 0.00 34.83 34.72 1bx2 s MET 160 CO -0.04 0.37 -0.07 -1.17 -0.01 0.00 0.00 175.02 174.10 1bx2 s LEU 161 N -3.36 1.69 -0.14 -0.03 2.96 -0.44 -0.40 118.68 118.97 1bx2 s LEU 161 Ca 0.29 -0.16 -0.22 0.00 -0.22 0.00 0.00 54.13 53.82 1bx2 s LEU 161 Cb -0.07 -0.48 -0.03 0.00 0.50 0.00 0.00 46.19 46.12 1bx2 s LEU 161 CO 0.16 0.03 0.68 -1.61 -1.32 0.00 0.00 176.35 174.30 1bx2 s GLU 162 N 0.35 4.32 0.09 1.98 2.02 -0.53 -0.85 118.70 126.07 1bx2 s GLU 162 Ca -0.05 0.78 0.01 0.00 0.02 0.00 0.00 54.97 55.73 1bx2 s GLU 162 Cb -0.09 -3.52 -0.04 0.00 0.10 0.00 0.00 34.13 30.58 1bx2 s GLU 162 CO 0.00 -0.12 -0.06 0.95 0.02 0.00 0.00 175.26 176.05 1bx2 s THR 163 N 1.48 0.62 -0.49 3.63 -4.23 -0.27 -4.93 115.64 111.45 1bx2 s THR 163 Ca 0.34 -1.88 0.03 0.00 -1.18 0.00 0.00 61.69 59.00 1bx2 s THR 163 Cb -0.17 -1.61 0.14 0.00 1.34 0.00 0.00 72.50 72.21 1bx2 s THR 163 CO 0.13 -0.86 0.27 -0.69 -0.54 0.00 0.00 174.62 172.93 1bx2 s VAL 164 N -3.55 1.93 0.26 2.29 1.01 -1.26 -0.12 120.40 120.96 1bx2 s VAL 164 Ca 0.10 -3.00 -0.30 0.00 0.00 0.00 0.00 61.98 58.78 1bx2 s VAL 164 Cb 0.05 -2.33 -0.10 0.00 0.00 0.00 0.00 36.38 33.99 1bx2 s VAL 164 CO -0.05 -0.88 1.49 -2.84 0.00 0.00 0.00 175.10 172.81 1bx2 s PRO 165 N -0.06 4.22 0.05 2.72 0.02 -1.26 -4.93 135.00 135.76 1bx2 s PRO 165 Ca 0.19 2.38 0.04 0.00 0.02 0.00 0.00 61.00 63.64 1bx2 s PRO 165 Cb -0.22 -3.08 -0.02 0.00 0.02 0.00 0.00 34.50 31.19 1bx2 s PRO 165 CO -0.02 -0.49 -0.13 1.03 -0.33 0.00 0.00 177.00 177.06 1bx2 s ARG 166 N -0.39 0.82 0.15 5.54 0.52 -1.26 -1.56 118.95 122.76 1bx2 s ARG 166 Ca 0.61 -0.79 -0.32 0.00 -0.52 0.00 0.00 55.73 54.70 1bx2 s ARG 166 Cb -0.44 -0.80 -0.17 0.00 0.52 0.00 0.00 34.95 34.06 1bx2 s ARG 166 CO 0.44 0.19 0.82 0.43 0.02 0.00 0.00 175.30 177.21 1bx2 n SER 167 N 1.70 -0.25 0.00 0.23 7.64 -1.26 -1.89 113.62 119.79 1bx2 n SER 167 Ca -0.19 1.14 0.00 0.00 1.01 0.00 0.00 58.87 60.83 1bx2 n SER 167 Cb 0.55 -1.02 0.00 0.00 -1.01 0.00 0.00 64.21 62.73 1bx2 n SER 167 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1bx2 n GLY 168 N 1.81 0.32 3.76 0.23 0.00 -1.26 -5.00 105.19 105.05 1bx2 n GLY 168 Ca 0.17 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.80 1bx2 n GLY 168 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1bx2 s GLU 169 N -0.83 4.69 -0.15 1.61 2.02 -0.79 -4.92 118.70 120.33 1bx2 s GLU 169 Ca 0.00 1.30 0.01 0.00 0.02 0.00 0.00 54.97 56.30 1bx2 s GLU 169 Cb 0.00 -3.28 0.02 0.00 0.10 0.00 0.00 34.13 30.97 1bx2 s GLU 169 CO 0.00 0.52 -0.16 0.08 0.02 0.00 0.00 175.26 175.72 1bx2 s VAL 170 N -1.05 1.69 0.00 2.63 1.01 -1.26 -1.70 120.40 121.72 1bx2 s VAL 170 Ca 0.39 -0.71 -0.01 0.00 0.00 0.00 0.00 61.98 61.64 1bx2 s VAL 170 Cb -0.24 -1.56 -0.04 0.00 0.00 0.00 0.00 36.38 34.54 1bx2 s VAL 170 CO 0.29 0.48 0.12 -0.31 0.00 0.00 0.00 175.10 175.67 1bx2 s TYR 171 N 1.35 3.36 -0.03 5.22 1.51 -0.36 -0.10 117.35 128.31 1bx2 s TYR 171 Ca 0.03 0.24 0.01 0.00 -1.01 0.00 0.00 57.07 56.34 1bx2 s TYR 171 Cb -0.13 -1.75 0.02 0.00 -0.11 0.00 0.00 41.96 39.98 1bx2 s TYR 171 CO -0.10 0.58 -0.05 0.99 -1.11 0.00 0.00 175.55 175.87 1bx2 s THR 172 N -1.26 0.49 -0.25 -0.71 2.01 0.09 -0.70 115.64 115.31 1bx2 s THR 172 Ca 0.25 -0.14 -0.09 0.00 0.31 0.00 0.00 61.69 62.02 1bx2 s THR 172 Cb -0.12 -0.50 -0.04 0.00 0.01 0.00 0.00 72.50 71.84 1bx2 s THR 172 CO 0.17 0.20 0.13 0.00 -0.69 0.00 0.00 174.62 174.42 1bx2 s GLN 174 N 1.42 3.09 -0.04 0.00 0.74 -0.01 -1.92 119.66 122.93 1bx2 s GLN 174 Ca 0.06 -0.80 -0.01 0.00 0.05 0.00 0.00 55.36 54.66 1bx2 s GLN 174 Cb -0.15 -2.86 -0.04 0.00 1.10 0.00 0.00 33.01 31.07 1bx2 s GLN 174 CO 0.06 -0.26 0.04 0.08 -0.55 0.00 0.00 175.29 174.66 1bx2 s VAL 175 N 1.37 4.55 -0.06 1.34 1.01 0.38 -1.34 120.40 127.64 1bx2 s VAL 175 Ca 0.04 -0.33 0.03 0.00 0.00 0.00 0.00 61.98 61.72 1bx2 s VAL 175 Cb -0.15 -3.00 0.00 0.00 0.00 0.00 0.00 36.38 33.23 1bx2 s VAL 175 CO -0.07 0.47 -0.16 -1.61 0.00 0.00 0.00 175.10 173.73 1bx2 s GLU 176 N -1.34 1.90 -0.26 2.72 2.02 0.06 -1.29 118.70 122.51 1bx2 s GLU 176 Ca 0.18 -0.55 -0.23 0.00 0.02 0.00 0.00 54.97 54.39 1bx2 s GLU 176 Cb -0.12 -1.57 0.07 0.00 0.10 0.00 0.00 34.13 32.61 1bx2 s GLU 176 CO 0.08 0.13 0.69 -1.58 0.02 0.00 0.00 175.26 174.61 1bx2 s HIS 177 N 0.36 -0.80 -0.41 1.61 2.46 -1.26 -1.59 115.29 115.66 1bx2 s HIS 177 Ca -0.11 1.89 0.05 0.00 0.47 0.00 0.00 55.06 57.36 1bx2 s HIS 177 Cb -0.14 0.31 0.26 0.00 -0.13 0.00 0.00 32.58 32.87 1bx2 s HIS 177 CO 0.04 -0.39 0.99 -0.35 -2.47 0.00 0.00 174.74 172.56 1bx2 n PRO 178 N 2.93 0.03 -0.28 2.88 -0.04 -1.26 -1.01 135.00 138.25 1bx2 n PRO 178 Ca -0.15 0.40 0.08 0.00 -0.04 0.00 0.00 63.50 63.80 1bx2 n PRO 178 Cb 0.56 -1.82 0.23 0.00 -0.04 0.00 0.00 33.50 32.43 1bx2 n PRO 178 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1bx2 n SER 179 N -1.57 2.86 -3.74 3.54 3.41 -1.26 -4.82 113.62 112.04 1bx2 n SER 179 Ca -0.00 -2.02 -0.14 0.00 -0.26 0.00 0.00 58.87 56.45 1bx2 n SER 179 Cb 0.22 -0.36 -0.14 0.00 -0.26 0.00 0.00 64.21 63.67 1bx2 n SER 179 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1bx2 s VAL 180 N -1.33 -0.06 -0.00 -3.33 1.01 -0.18 -4.77 120.40 111.74 1bx2 s VAL 180 Ca 0.35 0.19 -0.23 0.00 0.00 0.00 0.00 61.98 62.30 1bx2 s VAL 180 Cb 0.19 -0.25 -0.18 0.00 0.00 0.00 0.00 36.38 36.14 1bx2 s VAL 180 CO 0.23 0.08 1.24 0.71 0.00 0.00 0.00 175.10 177.36 1bx2 h THR 181 N 6.09 1.41 -3.50 3.92 1.35 -1.87 -3.42 112.91 116.89 1bx2 h THR 181 Ca -0.41 -1.45 -0.67 0.00 -0.55 0.00 0.00 66.41 63.33 1bx2 h THR 181 Cb 1.14 2.20 -0.27 0.00 -1.73 0.00 0.00 68.15 69.49 1bx2 h THR 181 CO 0.41 0.41 -0.78 -0.94 -0.25 0.00 0.00 175.52 174.36 1bx2 s SER 182 N -6.08 3.89 0.27 5.36 1.04 -1.26 -5.06 113.70 111.86 1bx2 s SER 182 Ca -0.15 -0.33 -0.26 0.00 0.48 0.00 0.00 55.95 55.69 1bx2 s SER 182 Cb 0.03 -1.41 -0.16 0.00 0.10 0.00 0.00 66.02 64.59 1bx2 s SER 182 CO 0.73 0.20 0.55 -0.81 0.98 0.00 0.00 173.24 174.89 1bx2 n PRO 183 N 3.26 0.30 -3.27 4.02 -0.04 -1.26 -4.96 135.00 133.04 1bx2 n PRO 183 Ca -0.18 0.11 -0.34 0.00 -0.04 0.00 0.00 63.50 63.05 1bx2 n PRO 183 Cb 0.53 -1.21 -0.06 0.00 -0.04 0.00 0.00 33.50 32.72 1bx2 n PRO 183 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1bx2 s LEU 184 N 2.61 4.21 0.02 1.53 1.43 -0.41 -4.89 118.68 123.17 1bx2 s LEU 184 Ca 0.62 1.14 -0.01 0.00 -1.03 0.00 0.00 54.13 54.85 1bx2 s LEU 184 Cb -0.81 -3.68 -0.02 0.00 0.03 0.00 0.00 46.19 41.71 1bx2 s LEU 184 CO 0.58 -0.05 -0.01 0.42 0.23 0.00 0.00 176.35 177.52 1bx2 s THR 185 N -1.73 0.12 -0.17 5.49 -4.23 -1.26 -0.47 115.64 113.39 1bx2 s THR 185 Ca 0.46 -1.01 -0.08 0.00 -1.18 0.00 0.00 61.69 59.88 1bx2 s THR 185 Cb -0.13 -0.46 0.06 0.00 1.34 0.00 0.00 72.50 73.31 1bx2 s THR 185 CO 0.20 -0.55 0.39 0.54 -0.54 0.00 0.00 174.62 174.65 1bx2 s VAL 186 N -1.81 -0.15 0.45 2.29 0.11 -0.81 -4.99 120.40 115.49 1bx2 s VAL 186 Ca -0.13 0.12 0.08 0.00 -2.93 0.00 0.00 61.98 59.13 1bx2 s VAL 186 Cb -0.07 -0.59 0.02 0.00 -1.53 0.00 0.00 36.38 34.20 1bx2 s VAL 186 CO -0.02 0.05 0.56 -1.61 -3.33 0.00 0.00 175.10 170.75 1bx2 s GLU 187 N 1.65 2.66 -0.13 1.54 2.02 -1.26 -1.31 118.70 123.88 1bx2 s GLU 187 Ca -0.08 -1.40 -0.05 0.00 0.02 0.00 0.00 54.97 53.47 1bx2 s GLU 187 Cb -0.09 -2.63 0.06 0.00 0.10 0.00 0.00 34.13 31.56 1bx2 s GLU 187 CO -0.12 -0.36 0.27 -0.46 0.02 0.00 0.00 175.26 174.61 1bx2 s TRP 188 N -2.44 -0.42 -0.19 1.61 -0.00 0.13 -4.93 118.94 112.70 1bx2 s TRP 188 Ca 0.54 0.95 -0.09 0.00 -0.00 0.00 0.00 56.10 57.50 1bx2 s TRP 188 Cb -0.08 0.02 -0.05 0.00 -0.00 0.00 0.00 33.47 33.37 1bx2 s TRP 188 CO 0.32 -0.32 0.10 -0.98 -0.00 0.00 0.00 176.95 176.08 1bx2 s ARG 189 N 1.99 4.10 -0.83 5.86 1.70 -1.26 -1.22 118.95 129.28 1bx2 s ARG 189 Ca -0.03 -0.26 -0.20 0.00 -0.47 0.00 0.00 55.73 54.77 1bx2 s ARG 189 Cb -0.11 -3.34 -0.20 0.00 -0.57 0.00 0.00 34.95 30.73 1bx2 s ARG 189 CO -0.09 0.30 2.20 0.00 -1.08 0.00 0.00 175.30 176.63 1bx2 n ALA 190 N 3.49 0.54 0.00 7.88 0.00 -0.69 -5.04 120.51 126.70 1bx2 n ALA 190 Ca -0.16 -1.33 0.00 0.00 0.00 0.00 0.00 53.44 51.95 1bx2 n ALA 190 Cb 0.52 -2.85 0.00 0.00 0.00 0.00 0.00 19.45 17.12 1bx2 n ALA 190 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04