#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r56 s VAL 3 N 0.00 4.14 0.12 0.00 1.01 -1.26 -4.88 120.40 119.53 1r56 s VAL 3 Ca 0.00 0.87 0.05 0.00 0.00 0.00 0.00 61.98 62.90 1r56 s VAL 3 Cb 0.00 -4.66 -0.21 0.00 0.00 0.00 0.00 36.38 31.51 1r56 s VAL 3 CO 0.00 -1.21 1.28 0.11 0.00 0.00 0.00 175.10 175.27 1r56 h LYS 4 N 9.42 0.05 -3.14 2.72 1.57 -2.07 -3.47 116.57 121.65 1r56 h LYS 4 Ca -0.25 -0.08 -0.04 0.00 -1.87 0.00 0.00 60.65 58.42 1r56 h LYS 4 Cb 1.06 0.03 -0.13 0.00 0.08 0.00 0.00 32.23 33.27 1r56 h LYS 4 CO 1.15 1.01 0.04 0.00 -0.57 0.00 0.00 179.45 181.09 1r56 s ALA 5 N -2.76 -1.23 -0.29 3.86 0.00 -1.26 -5.17 121.76 114.91 1r56 s ALA 5 Ca 0.00 0.26 -0.16 0.00 0.00 0.00 0.00 51.96 52.06 1r56 s ALA 5 Cb 0.10 0.69 0.13 0.00 0.00 0.00 0.00 23.12 24.04 1r56 s ALA 5 CO 0.83 -0.66 0.89 0.00 0.00 0.00 0.00 175.76 176.82 1r56 s ALA 6 N -3.51 -2.19 0.03 0.00 0.00 -1.26 -5.16 121.76 109.66 1r56 s ALA 6 Ca 0.01 2.26 -0.00 0.00 0.00 0.00 0.00 51.96 54.23 1r56 s ALA 6 Cb 0.00 -1.66 -0.02 0.00 0.00 0.00 0.00 23.12 21.44 1r56 s ALA 6 CO -0.10 -0.43 -0.03 1.03 0.00 0.00 0.00 175.76 176.23 1r56 s ARG 7 N 1.57 0.38 0.14 0.00 0.52 -1.26 -4.58 118.95 115.72 1r56 s ARG 7 Ca -0.09 -0.75 -0.23 0.00 -0.52 0.00 0.00 55.73 54.14 1r56 s ARG 7 Cb -0.05 0.12 0.07 0.00 0.52 0.00 0.00 34.95 35.62 1r56 s ARG 7 CO -0.17 -0.06 0.59 1.52 0.02 0.00 0.00 175.30 177.20 1r56 s TYR 8 N -2.00 -0.52 -2.09 -0.53 1.13 -1.03 -4.94 117.35 107.36 1r56 s TYR 8 Ca -0.11 0.36 0.00 0.00 -1.41 0.00 0.00 57.07 55.92 1r56 s TYR 8 Cb -0.06 0.52 0.00 0.00 -1.10 0.00 0.00 41.96 41.32 1r56 s TYR 8 CO -0.03 -0.82 0.00 0.41 -2.51 0.00 0.00 175.55 172.60 1r56 n GLY 9 N -0.25 -0.59 3.48 5.49 0.00 -1.26 -0.45 105.19 111.61 1r56 n GLY 9 Ca -0.17 -0.83 -0.34 0.00 0.00 0.00 0.00 46.02 44.69 1r56 n GLY 9 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1r56 s LYS 10 N -0.84 3.65 0.26 1.61 2.47 -0.74 -4.90 119.74 121.25 1r56 s LYS 10 Ca 0.00 -0.53 0.09 0.00 -1.56 0.00 0.00 55.97 53.97 1r56 s LYS 10 Cb 0.00 -2.93 -0.04 0.00 -1.46 0.00 0.00 37.83 33.40 1r56 s LYS 10 CO 0.00 0.20 0.03 0.34 0.16 0.00 0.00 175.35 176.08 1r56 s ASP 11 N 0.47 4.73 -1.18 1.43 2.15 -1.26 -1.51 116.67 121.50 1r56 s ASP 11 Ca -0.03 -0.56 -0.07 0.00 0.43 0.00 0.00 52.55 52.32 1r56 s ASP 11 Cb -0.14 -0.95 0.01 0.00 -0.30 0.00 0.00 42.92 41.53 1r56 s ASP 11 CO 0.03 -0.00 1.02 0.59 -0.17 0.00 0.00 175.17 176.64 1r56 n ASN 12 N -0.92 -5.22 -4.52 -0.34 3.02 -1.13 -4.96 115.26 101.18 1r56 n ASN 12 Ca -0.07 -0.49 -0.43 0.00 -0.03 0.00 0.00 54.58 53.56 1r56 n ASN 12 Cb 0.59 -4.54 -0.06 0.00 -0.61 0.00 0.00 39.78 35.16 1r56 n ASN 12 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1r56 s VAL 13 N -3.29 4.74 0.00 2.41 1.01 -0.36 -4.86 120.40 120.06 1r56 s VAL 13 Ca 0.43 0.21 -0.24 0.00 0.00 0.00 0.00 61.98 62.38 1r56 s VAL 13 Cb -0.19 -4.27 -0.05 0.00 0.00 0.00 0.00 36.38 31.87 1r56 s VAL 13 CO 0.65 -0.68 0.72 -0.13 0.00 0.00 0.00 175.10 175.66 1r56 s ARG 14 N 3.05 4.45 -0.01 2.72 0.52 -1.26 0.03 118.95 128.45 1r56 s ARG 14 Ca 0.25 0.96 0.01 0.00 -0.52 0.00 0.00 55.73 56.43 1r56 s ARG 14 Cb -0.14 -3.38 0.01 0.00 0.52 0.00 0.00 34.95 31.96 1r56 s ARG 14 CO 0.20 0.23 -0.01 0.08 0.02 0.00 0.00 175.30 175.82 1r56 s VAL 15 N 0.18 0.18 -0.03 3.52 1.01 -0.38 -4.98 120.40 119.90 1r56 s VAL 15 Ca 0.37 -0.01 0.05 0.00 0.00 0.00 0.00 61.98 62.39 1r56 s VAL 15 Cb -0.19 -0.21 -0.01 0.00 0.00 0.00 0.00 36.38 35.96 1r56 s VAL 15 CO 0.21 0.10 -0.19 -0.47 0.00 0.00 0.00 175.10 174.74 1r56 s TYR 16 N 0.44 1.75 -0.02 5.22 6.14 -1.26 -1.12 117.35 128.50 1r56 s TYR 16 Ca -0.04 -0.39 0.01 0.00 0.64 0.00 0.00 57.07 57.29 1r56 s TYR 16 Cb -0.07 -1.14 0.01 0.00 0.42 0.00 0.00 41.96 41.18 1r56 s TYR 16 CO -0.01 -0.08 -0.05 0.21 0.64 0.00 0.00 175.55 176.26 1r56 s LYS 17 N -0.29 0.61 0.02 4.97 2.20 -0.51 -4.99 119.74 121.76 1r56 s LYS 17 Ca 0.03 -0.13 0.02 0.00 -0.36 0.00 0.00 55.97 55.53 1r56 s LYS 17 Cb -0.09 -0.63 -0.04 0.00 -1.51 0.00 0.00 37.83 35.57 1r56 s LYS 17 CO 0.00 0.01 0.02 0.54 -0.36 0.00 0.00 175.35 175.56 1r56 s VAL 18 N 0.44 4.23 -0.11 4.02 0.11 -1.26 -0.75 120.40 127.07 1r56 s VAL 18 Ca -0.05 -0.67 0.02 0.00 -2.93 0.00 0.00 61.98 58.35 1r56 s VAL 18 Cb -0.09 -2.93 -0.01 0.00 -1.53 0.00 0.00 36.38 31.83 1r56 s VAL 18 CO -0.00 0.30 -0.20 -2.28 -3.33 0.00 0.00 175.10 169.59 1r56 s HIS 19 N -1.17 2.66 -0.31 1.54 2.46 0.14 -4.96 115.29 115.65 1r56 s HIS 19 Ca 0.22 -0.90 -0.04 0.00 0.47 0.00 0.00 55.06 54.81 1r56 s HIS 19 Cb -0.12 -1.76 0.04 0.00 -0.13 0.00 0.00 32.58 30.61 1r56 s HIS 19 CO 0.13 -0.34 0.04 0.15 -2.47 0.00 0.00 174.74 172.25 1r56 s LYS 20 N 0.35 2.66 -0.59 2.88 1.02 -1.26 -1.22 119.74 123.59 1r56 s LYS 20 Ca -0.16 -1.13 -0.28 0.00 0.02 0.00 0.00 55.97 54.43 1r56 s LYS 20 Cb -0.17 -3.29 0.03 0.00 -0.52 0.00 0.00 37.83 33.87 1r56 s LYS 20 CO 0.08 -0.58 1.27 0.34 -0.92 0.00 0.00 175.35 175.53 1r56 s ASP 21 N 1.36 6.33 0.13 2.83 3.68 0.22 -4.91 116.67 126.31 1r56 s ASP 21 Ca -0.02 0.12 -0.29 0.00 2.13 0.00 0.00 52.55 54.49 1r56 s ASP 21 Cb -0.19 -2.55 -0.06 0.00 -1.45 0.00 0.00 42.92 38.67 1r56 s ASP 21 CO 0.01 -1.58 1.58 1.05 0.13 0.00 0.00 175.17 176.36 1r56 h GLU 22 N 10.02 -0.49 0.46 4.34 4.11 -1.97 0.18 114.58 131.24 1r56 h GLU 22 Ca -0.26 0.03 -0.02 0.00 0.07 0.00 0.00 59.36 59.19 1r56 h GLU 22 Cb 1.07 0.11 -0.00 0.00 0.50 0.00 0.00 28.75 30.42 1r56 h GLU 22 CO 1.19 -0.33 -0.30 0.87 0.07 0.00 0.00 179.01 180.52 1r56 h LYS 23 N -0.51 -0.69 -0.09 1.06 6.56 -1.98 -3.34 116.57 117.59 1r56 h LYS 23 Ca 0.07 0.05 -0.21 0.00 -1.06 0.00 0.00 60.65 59.50 1r56 h LYS 23 Cb 0.63 0.16 0.00 0.00 -0.57 0.00 0.00 32.23 32.45 1r56 h LYS 23 CO -0.37 -0.46 -0.79 1.79 -2.06 0.00 0.00 179.45 177.56 1r56 h THR 24 N -0.71 1.34 0.00 -0.16 1.35 -1.99 -3.47 112.91 109.27 1r56 h THR 24 Ca -0.06 -2.12 0.00 0.00 -0.55 0.00 0.00 66.41 63.68 1r56 h THR 24 Cb 0.57 2.11 0.00 0.00 -1.73 0.00 0.00 68.15 69.11 1r56 h THR 24 CO 0.05 0.65 0.00 0.61 -0.25 0.00 0.00 175.52 176.58 1r56 n GLY 25 N 0.68 0.82 3.76 5.82 0.00 0.64 -5.05 105.19 111.85 1r56 n GLY 25 Ca -0.06 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.56 1r56 n GLY 25 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1r56 s VAL 26 N -2.04 4.71 0.10 1.61 1.01 -1.25 -4.83 120.40 119.72 1r56 s VAL 26 Ca 0.00 1.54 0.07 0.00 0.00 0.00 0.00 61.98 63.59 1r56 s VAL 26 Cb 0.00 -4.07 -0.04 0.00 0.00 0.00 0.00 36.38 32.27 1r56 s VAL 26 CO 0.00 0.41 -0.12 -1.10 0.00 0.00 0.00 175.10 174.29 1r56 s GLN 27 N -0.31 2.05 -0.03 2.72 -0.21 0.01 -0.61 119.66 123.29 1r56 s GLN 27 Ca 0.36 -1.06 0.01 0.00 0.02 0.00 0.00 55.36 54.70 1r56 s GLN 27 Cb -0.20 -2.26 0.01 0.00 1.00 0.00 0.00 33.01 31.56 1r56 s GLN 27 CO 0.22 0.50 -0.05 0.99 -2.12 0.00 0.00 175.29 174.83 1r56 s THR 28 N -1.19 0.51 0.15 -0.19 2.01 -0.36 -4.65 115.64 111.92 1r56 s THR 28 Ca 0.20 -0.18 0.09 0.00 0.31 0.00 0.00 61.69 62.12 1r56 s THR 28 Cb -0.11 -0.49 -0.04 0.00 0.01 0.00 0.00 72.50 71.87 1r56 s THR 28 CO 0.13 0.19 -0.17 0.68 -0.69 0.00 0.00 174.62 174.76 1r56 s VAL 29 N 0.45 2.86 0.03 3.82 -7.23 -1.26 0.23 120.40 119.30 1r56 s VAL 29 Ca -0.06 -1.64 0.03 0.00 -1.81 0.00 0.00 61.98 58.50 1r56 s VAL 29 Cb -0.09 -2.35 -0.02 0.00 0.56 0.00 0.00 36.38 34.47 1r56 s VAL 29 CO -0.00 -0.00 -0.10 -0.31 -0.31 0.00 0.00 175.10 174.38 1r56 s TYR 30 N -1.40 0.83 -0.14 2.82 2.02 0.07 -4.90 117.35 116.64 1r56 s TYR 30 Ca 0.20 -0.36 -0.10 0.00 -0.37 0.00 0.00 57.07 56.45 1r56 s TYR 30 Cb -0.10 -0.50 0.04 0.00 -0.40 0.00 0.00 41.96 41.01 1r56 s TYR 30 CO 0.12 -0.02 0.35 -2.00 -1.57 0.00 0.00 175.55 172.42 1r56 s GLU 31 N -1.11 0.37 0.22 -0.62 2.12 -1.26 -1.42 118.70 117.00 1r56 s GLU 31 Ca -0.03 0.57 -0.07 0.00 0.36 0.00 0.00 54.97 55.80 1r56 s GLU 31 Cb -0.07 0.08 -0.02 0.00 0.26 0.00 0.00 34.13 34.37 1r56 s GLU 31 CO 0.01 -0.10 0.32 0.00 -0.54 0.00 0.00 175.26 174.95 1r56 s MET 32 N 0.71 1.38 -0.10 4.30 0.23 -0.27 -1.78 119.30 123.76 1r56 s MET 32 Ca -0.04 -1.42 0.04 0.00 -1.03 0.00 0.00 55.69 53.23 1r56 s MET 32 Cb -0.05 0.38 0.00 0.00 -1.53 0.00 0.00 34.83 33.62 1r56 s MET 32 CO -0.05 -0.53 -0.24 0.99 -2.03 0.00 0.00 175.02 173.17 1r56 s THR 33 N -4.08 2.06 0.04 3.16 2.01 0.80 -1.25 115.64 118.38 1r56 s THR 33 Ca 0.30 -1.01 0.07 0.00 0.31 0.00 0.00 61.69 61.36 1r56 s THR 33 Cb 0.03 -1.78 -0.03 0.00 0.01 0.00 0.00 72.50 70.73 1r56 s THR 33 CO 0.10 0.56 -0.19 -0.69 -0.69 0.00 0.00 174.62 173.71 1r56 s VAL 34 N 0.38 2.69 -0.06 3.82 1.01 0.10 -1.20 120.40 127.15 1r56 s VAL 34 Ca -0.18 -1.22 0.01 0.00 0.00 0.00 0.00 61.98 60.59 1r56 s VAL 34 Cb -0.18 -2.12 0.02 0.00 0.00 0.00 0.00 36.38 34.10 1r56 s VAL 34 CO 0.08 0.34 -0.05 0.00 0.00 0.00 0.00 175.10 175.47 1r56 s VAL 36 N 1.07 2.04 -0.04 0.00 1.01 -0.57 -0.47 120.40 123.43 1r56 s VAL 36 Ca -0.08 -0.95 0.06 0.00 0.00 0.00 0.00 61.98 61.00 1r56 s VAL 36 Cb -0.14 -1.86 -0.02 0.00 0.00 0.00 0.00 36.38 34.36 1r56 s VAL 36 CO -0.01 0.52 -0.22 -0.76 0.00 0.00 0.00 175.10 174.63 1r56 s LEU 37 N 1.29 2.28 0.07 3.92 1.43 -0.05 -1.79 118.68 125.83 1r56 s LEU 37 Ca 0.05 -0.40 0.06 0.00 -1.03 0.00 0.00 54.13 52.81 1r56 s LEU 37 Cb -0.13 -1.42 -0.04 0.00 0.03 0.00 0.00 46.19 44.63 1r56 s LEU 37 CO -0.13 0.30 -0.10 -0.76 0.23 0.00 0.00 176.35 175.89 1r56 s LEU 38 N -0.48 3.00 0.11 1.79 1.43 0.40 -0.06 118.68 124.88 1r56 s LEU 38 Ca 0.06 -0.33 0.05 0.00 -1.03 0.00 0.00 54.13 52.88 1r56 s LEU 38 Cb -0.11 -1.78 -0.04 0.00 0.03 0.00 0.00 46.19 44.29 1r56 s LEU 38 CO 0.01 0.22 -0.14 -1.61 0.23 0.00 0.00 176.35 175.06 1r56 s GLU 39 N -1.88 0.96 0.00 1.70 2.02 -0.38 -2.45 118.70 118.66 1r56 s GLU 39 Ca 0.19 -1.16 0.00 0.00 0.02 0.00 0.00 54.97 54.02 1r56 s GLU 39 Cb -0.11 -0.85 0.00 0.00 0.10 0.00 0.00 34.13 33.27 1r56 s GLU 39 CO 0.11 0.17 0.00 0.41 0.02 0.00 0.00 175.26 175.96 1r56 n GLY 40 N 0.72 -0.54 3.51 -1.39 0.00 -1.26 -1.21 105.19 105.01 1r56 n GLY 40 Ca -0.17 -0.82 -0.43 0.00 0.00 0.00 0.00 46.02 44.60 1r56 n GLY 40 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1r56 s GLU 41 N -1.23 3.66 -0.00 1.61 2.02 0.44 -4.48 118.70 120.72 1r56 s GLU 41 Ca 0.00 -1.56 0.01 0.00 0.02 0.00 0.00 54.97 53.44 1r56 s GLU 41 Cb 0.00 -5.16 0.01 0.00 0.10 0.00 0.00 34.13 29.08 1r56 s GLU 41 CO 0.00 -1.99 0.67 0.44 0.02 0.00 0.00 175.26 174.40 1r56 n ILE 42 N 6.10 0.16 -0.31 -1.63 -5.35 -1.26 -4.84 119.36 112.22 1r56 n ILE 42 Ca 0.30 -0.17 0.10 0.00 -0.27 0.00 0.00 62.75 62.72 1r56 n ILE 42 Cb 0.49 0.81 0.27 0.00 -1.74 0.00 0.00 39.64 39.47 1r56 n ILE 42 CO 0.00 0.00 0.00 -0.33 -1.76 0.00 0.00 176.55 174.46 1r56 h GLU 43 N 0.00 0.57 0.00 6.28 3.07 -1.99 -2.03 114.58 120.48 1r56 h GLU 43 Ca 0.00 -0.03 -0.01 0.00 -0.50 0.00 0.00 59.36 58.82 1r56 h GLU 43 Cb 1.04 -0.13 -0.00 0.00 -0.84 0.00 0.00 28.75 28.82 1r56 h GLU 43 CO 0.00 0.38 -0.03 1.79 -1.40 0.00 0.00 179.01 179.75 1r56 h THR 44 N 0.59 0.58 -0.69 1.13 1.35 -1.90 -0.66 112.91 113.31 1r56 h THR 44 Ca 0.52 -0.11 0.03 0.00 -0.55 0.00 0.00 66.41 66.30 1r56 h THR 44 Cb 0.83 1.07 -0.04 0.00 -1.73 0.00 0.00 68.15 68.28 1r56 h THR 44 CO -0.42 0.03 0.45 0.77 -0.25 0.00 0.00 175.52 176.10 1r56 h SER 45 N 0.00 0.72 0.08 5.36 4.64 -1.41 0.83 113.55 123.78 1r56 h SER 45 Ca -0.00 -0.01 -0.15 0.00 -0.47 0.00 0.00 61.79 61.16 1r56 h SER 45 Cb 0.07 -0.17 0.01 0.00 -0.31 0.00 0.00 62.40 61.99 1r56 h SER 45 CO 0.00 0.50 -0.72 1.88 -0.87 0.00 0.00 176.83 177.63 1r56 h TYR 46 N 0.84 0.32 0.05 4.77 -1.99 -1.29 -2.81 116.97 116.87 1r56 h TYR 46 Ca 0.27 -0.23 -0.21 0.00 2.00 0.00 0.00 58.73 60.56 1r56 h TYR 46 Cb 0.03 -0.01 0.02 0.00 2.00 0.00 0.00 36.73 38.77 1r56 h TYR 46 CO -0.00 1.28 -0.85 1.79 -0.00 0.00 0.00 178.16 180.38 1r56 h THR 47 N -0.60 1.39 -0.10 -2.88 1.35 -1.18 -3.38 112.91 107.50 1r56 h THR 47 Ca -0.15 -2.27 0.00 0.00 -0.55 0.00 0.00 66.41 63.44 1r56 h THR 47 Cb 1.45 2.70 0.00 0.00 -1.73 0.00 0.00 68.15 70.56 1r56 h THR 47 CO 0.06 0.67 0.00 0.29 -0.25 0.00 0.00 175.52 176.29 1r56 n LYS 48 N -4.06 2.83 -4.02 4.72 4.76 0.28 -4.99 118.16 117.69 1r56 n LYS 48 Ca -0.12 -1.78 -0.32 0.00 -2.87 0.00 0.00 58.31 53.22 1r56 n LYS 48 Cb 0.80 -1.14 0.01 0.00 -1.84 0.00 0.00 35.03 32.86 1r56 n LYS 48 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1r56 n ALA 49 N -0.29 -1.28 -2.60 7.82 0.00 -0.80 -4.92 120.51 118.45 1r56 n ALA 49 Ca 0.05 0.13 -0.43 0.00 0.00 0.00 0.00 53.44 53.19 1r56 n ALA 49 Cb 0.35 -4.16 -0.06 0.00 0.00 0.00 0.00 19.45 15.58 1r56 n ALA 49 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1r56 s ASP 50 N -3.30 6.30 0.00 0.00 2.15 -1.11 -4.92 116.67 115.79 1r56 s ASP 50 Ca 0.69 -0.49 0.27 0.00 0.43 0.00 0.00 52.55 53.46 1r56 s ASP 50 Cb -0.36 -2.33 0.91 0.00 -0.30 0.00 0.00 42.92 40.84 1r56 s ASP 50 CO 0.86 -0.86 1.68 0.59 -0.17 0.00 0.00 175.17 177.27 1r56 n ASN 51 N 6.39 0.45 0.32 -0.34 3.02 -1.26 -3.55 115.26 120.29 1r56 n ASN 51 Ca -0.02 -0.26 0.20 0.00 -0.03 0.00 0.00 54.58 54.47 1r56 n ASN 51 Cb 0.47 -0.02 1.10 0.00 -0.61 0.00 0.00 39.78 40.71 1r56 n ASN 51 CO 0.00 0.00 0.00 0.77 -2.62 0.00 0.00 177.26 175.41 1r56 h SER 52 N 0.32 0.00 0.08 6.41 4.64 -2.00 0.03 113.55 123.03 1r56 h SER 52 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1r56 h SER 52 Cb 0.46 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.55 1r56 h SER 52 CO 0.00 0.00 -0.17 1.33 -0.87 0.00 0.00 176.83 177.12 1r56 n VAL 53 N -3.39 0.00 -3.30 0.95 0.24 -1.26 -4.89 118.33 106.67 1r56 n VAL 53 Ca -0.03 -0.24 -0.40 0.00 -2.04 0.00 0.00 64.34 61.63 1r56 n VAL 53 Cb 0.08 0.71 -0.08 0.00 -1.47 0.00 0.00 33.84 33.08 1r56 n VAL 53 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 1r56 s ILE 54 N -2.27 5.10 -0.57 1.34 -1.09 -0.01 -4.92 121.20 118.79 1r56 s ILE 54 Ca 0.28 0.54 -0.27 0.00 -2.23 0.00 0.00 60.65 58.98 1r56 s ILE 54 Cb 0.20 -3.82 0.03 0.00 -1.58 0.00 0.00 42.46 37.29 1r56 s ILE 54 CO 0.44 0.00 1.12 -0.69 -1.23 0.00 0.00 174.94 174.58 1r56 s VAL 55 N 2.23 4.13 0.26 2.92 1.01 -1.26 -4.99 120.40 124.71 1r56 s VAL 55 Ca 0.18 0.74 -0.28 0.00 0.00 0.00 0.00 61.98 62.62 1r56 s VAL 55 Cb -0.16 -4.67 -0.15 0.00 0.00 0.00 0.00 36.38 31.41 1r56 s VAL 55 CO 0.11 -1.26 0.90 0.00 0.00 0.00 0.00 175.10 174.85 1r56 n ALA 56 N 8.13 -0.90 -0.22 5.51 0.00 -1.26 -4.80 120.51 126.98 1r56 n ALA 56 Ca 0.07 0.41 0.09 0.00 0.00 0.00 0.00 53.44 54.00 1r56 n ALA 56 Cb 0.49 -1.92 0.37 0.00 0.00 0.00 0.00 19.45 18.38 1r56 n ALA 56 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 1r56 h THR 57 N 1.78 0.94 -0.51 0.00 1.35 -1.94 0.16 112.91 114.70 1r56 h THR 57 Ca -0.37 -0.25 0.06 0.00 -0.55 0.00 0.00 66.41 65.30 1r56 h THR 57 Cb 1.36 0.15 -0.03 0.00 -1.73 0.00 0.00 68.15 67.91 1r56 h THR 57 CO 0.60 0.13 0.34 -0.78 -0.25 0.00 0.00 175.52 175.56 1r56 h ASP 58 N 0.73 0.38 0.72 5.36 3.58 -1.96 -0.22 116.42 125.01 1r56 h ASP 58 Ca 0.37 0.00 -0.18 0.00 0.42 0.00 0.00 57.03 57.64 1r56 h ASP 58 Cb 0.47 -0.08 -0.02 0.00 1.72 0.00 0.00 39.33 41.42 1r56 h ASP 58 CO -0.14 0.25 -0.84 0.28 -2.88 0.00 0.00 179.24 175.91 1r56 h SER 59 N 0.44 0.10 -0.40 2.28 0.02 -1.02 -1.90 113.55 113.06 1r56 h SER 59 Ca 0.22 -0.08 -0.03 0.00 -0.84 0.00 0.00 61.79 61.06 1r56 h SER 59 Cb 0.32 -0.03 -0.02 0.00 0.14 0.00 0.00 62.40 62.81 1r56 h SER 59 CO -0.06 0.89 0.14 0.40 -1.14 0.00 0.00 176.83 177.06 1r56 h ILE 60 N 0.04 1.21 -0.12 3.27 2.04 -0.62 -1.11 117.51 122.21 1r56 h ILE 60 Ca -0.02 -0.67 0.04 0.00 1.00 0.00 0.00 64.86 65.21 1r56 h ILE 60 Cb 1.46 0.90 -0.05 0.00 -0.74 0.00 0.00 36.82 38.39 1r56 h ILE 60 CO 0.12 0.24 -0.21 0.50 0.00 0.00 0.00 178.15 178.80 1r56 h LYS 61 N 0.50 -0.26 -0.69 2.37 3.64 -0.97 -1.26 116.57 119.90 1r56 h LYS 61 Ca 0.13 0.02 0.10 0.00 -1.27 0.00 0.00 60.65 59.63 1r56 h LYS 61 Cb 0.24 0.06 -0.07 0.00 -0.41 0.00 0.00 32.23 32.04 1r56 h LYS 61 CO -0.01 -0.17 0.32 -0.91 -2.27 0.00 0.00 179.45 176.41 1r56 h ASN 62 N -0.27 0.38 -0.87 4.20 2.35 -1.13 -2.29 115.58 117.94 1r56 h ASN 62 Ca 0.10 0.07 -0.01 0.00 -0.55 0.00 0.00 56.30 55.91 1r56 h ASN 62 Cb 0.41 0.01 -0.04 0.00 0.05 0.00 0.00 38.32 38.75 1r56 h ASN 62 CO -0.28 0.21 0.50 0.74 -1.65 0.00 0.00 177.43 176.95 1r56 h THR 63 N 0.54 1.25 -0.49 2.81 2.02 -0.45 -1.33 112.91 117.25 1r56 h THR 63 Ca 0.35 -0.60 -0.01 0.00 0.77 0.00 0.00 66.41 66.92 1r56 h THR 63 Cb 0.41 0.05 -0.02 0.00 -1.74 0.00 0.00 68.15 66.84 1r56 h THR 63 CO -0.29 0.27 0.28 0.40 0.37 0.00 0.00 175.52 176.55 1r56 h ILE 64 N 1.22 1.17 -0.33 3.11 2.04 -0.71 0.31 117.51 124.31 1r56 h ILE 64 Ca 0.31 -0.42 -0.14 0.00 1.00 0.00 0.00 64.86 65.62 1r56 h ILE 64 Cb -0.00 0.54 -0.01 0.00 -0.74 0.00 0.00 36.82 36.61 1r56 h ILE 64 CO -0.05 0.18 -0.34 1.88 0.00 0.00 0.00 178.15 179.81 1r56 h TYR 65 N 0.66 0.87 -0.15 1.37 0.05 -1.20 -2.42 116.97 116.15 1r56 h TYR 65 Ca 0.17 -0.24 -0.16 0.00 0.05 0.00 0.00 58.73 58.56 1r56 h TYR 65 Cb 0.04 -0.19 -0.01 0.00 1.01 0.00 0.00 36.73 37.58 1r56 h TYR 65 CO -0.02 0.98 -0.57 0.82 -1.05 0.00 0.00 178.16 178.32 1r56 h ILE 66 N 0.62 1.34 -0.56 -2.88 2.04 -1.03 -1.90 117.51 115.14 1r56 h ILE 66 Ca 0.06 -1.86 -0.06 0.00 1.00 0.00 0.00 64.86 64.00 1r56 h ILE 66 Cb 0.87 1.85 -0.02 0.00 -0.74 0.00 0.00 36.82 38.78 1r56 h ILE 66 CO 0.08 0.57 0.10 0.74 0.00 0.00 0.00 178.15 179.64 1r56 h THR 67 N 0.35 1.25 -0.04 -0.27 2.02 -0.81 -2.12 112.91 113.30 1r56 h THR 67 Ca 0.00 -0.94 -0.12 0.00 0.77 0.00 0.00 66.41 66.12 1r56 h THR 67 Cb 1.11 0.79 -0.01 0.00 -1.74 0.00 0.00 68.15 68.29 1r56 h THR 67 CO 0.10 0.34 -0.51 0.00 0.37 0.00 0.00 175.52 175.82 1r56 h ALA 68 N 1.00 1.08 -0.28 6.16 0.00 -1.34 -0.81 119.26 125.06 1r56 h ALA 68 Ca 0.17 -0.48 -0.08 0.00 0.00 0.00 0.00 54.91 54.53 1r56 h ALA 68 Cb 0.39 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 1r56 h ALA 68 CO 0.01 0.65 -0.13 -0.22 0.00 0.00 0.00 179.25 179.56 1r56 h LYS 69 N 0.08 0.59 0.00 0.00 1.63 -1.06 -3.29 116.57 114.51 1r56 h LYS 69 Ca -0.00 -0.25 0.00 0.00 -0.85 0.00 0.00 60.65 59.55 1r56 h LYS 69 Cb 0.94 -0.02 0.00 0.00 -0.60 0.00 0.00 32.23 32.55 1r56 h LYS 69 CO 0.07 0.82 -0.42 1.04 -3.45 0.00 0.00 179.45 177.52 1r56 n GLN 70 N -4.43 0.01 -4.42 1.90 6.02 -0.82 -4.97 117.38 110.66 1r56 n GLN 70 Ca -0.03 0.00 -0.21 0.00 -0.01 0.00 0.00 57.00 56.74 1r56 n GLN 70 Cb 0.36 -1.50 -0.09 0.00 1.02 0.00 0.00 30.24 30.02 1r56 n GLN 70 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 177.06 175.25 1r56 s ASN 71 N -3.03 2.13 0.13 1.08 0.01 -0.33 -5.08 114.94 109.85 1r56 s ASN 71 Ca 0.11 -1.53 -0.28 0.00 -0.71 0.00 0.00 52.86 50.46 1r56 s ASN 71 Cb 0.18 0.28 -0.07 0.00 0.41 0.00 0.00 41.25 42.04 1r56 s ASN 71 CO 0.67 -0.81 0.87 -2.16 -1.51 0.00 0.00 177.10 174.16 1r56 s PRO 72 N -3.83 4.65 0.00 -0.60 0.04 -1.26 -4.72 135.00 129.28 1r56 s PRO 72 Ca 0.32 1.30 0.26 0.00 0.04 0.00 0.00 61.00 62.92 1r56 s PRO 72 Cb 0.06 -3.33 0.68 0.00 0.04 0.00 0.00 34.50 31.95 1r56 s PRO 72 CO 0.15 0.37 1.52 1.33 0.04 0.00 0.00 177.00 180.42 1r56 n VAL 73 N 2.26 0.00 -4.56 -0.36 0.24 -1.26 -4.40 118.33 110.24 1r56 n VAL 73 Ca -0.02 -0.23 -0.21 0.00 -2.04 0.00 0.00 64.34 61.84 1r56 n VAL 73 Cb 0.49 0.68 -0.15 0.00 -1.47 0.00 0.00 33.84 33.38 1r56 n VAL 73 CO 0.00 0.00 0.00 0.28 -2.14 0.00 0.00 176.83 174.97 1r56 s THR 74 N -2.28 0.99 0.67 3.34 -1.32 -1.26 -3.60 115.64 112.17 1r56 s THR 74 Ca 0.28 -0.54 -0.11 0.00 -1.21 0.00 0.00 61.69 60.12 1r56 s THR 74 Cb 0.20 -0.83 -0.00 0.00 -1.51 0.00 0.00 72.50 70.36 1r56 s THR 74 CO 0.44 0.28 1.05 -2.16 -2.21 0.00 0.00 174.62 172.03 1r56 s PRO 75 N -0.30 3.09 0.59 7.08 0.04 -1.26 -4.87 135.00 139.36 1r56 s PRO 75 Ca 0.05 0.49 0.33 0.00 0.04 0.00 0.00 61.00 61.91 1r56 s PRO 75 Cb -0.05 -2.07 1.85 0.00 0.04 0.00 0.00 34.50 34.27 1r56 s PRO 75 CO -0.00 -0.86 2.22 -1.00 0.04 0.00 0.00 177.00 177.39 1r56 h PRO 76 N -0.50 0.00 -0.41 0.56 0.13 -1.96 -1.16 132.00 128.66 1r56 h PRO 76 Ca -0.45 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.62 1r56 h PRO 76 Cb 1.23 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.35 1r56 h PRO 76 CO 0.63 0.04 -0.03 0.93 -0.23 0.00 0.00 178.00 179.34 1r56 h GLU 77 N 0.00 0.67 0.00 0.86 3.07 -1.96 -1.23 114.58 115.99 1r56 h GLU 77 Ca -0.00 -0.17 -0.07 0.00 -0.50 0.00 0.00 59.36 58.62 1r56 h GLU 77 Cb 0.14 -0.08 0.01 0.00 -0.84 0.00 0.00 28.75 27.97 1r56 h GLU 77 CO 0.00 0.71 -0.27 1.25 -1.40 0.00 0.00 179.01 179.30 1r56 h LEU 78 N 0.63 0.23 -0.14 1.33 5.85 -1.59 -2.68 115.31 118.95 1r56 h LEU 78 Ca 0.12 -0.79 0.04 0.00 0.84 0.00 0.00 57.88 58.10 1r56 h LEU 78 Cb 0.43 -0.07 -0.04 0.00 0.37 0.00 0.00 40.66 41.35 1r56 h LEU 78 CO 0.02 0.99 -0.14 0.15 -0.34 0.00 0.00 178.44 179.12 1r56 h PHE 79 N -0.50 -0.34 -0.23 1.25 3.57 -1.28 0.14 116.94 119.56 1r56 h PHE 79 Ca -0.03 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.45 1r56 h PHE 79 Cb 1.03 0.17 -0.01 0.00 2.79 0.00 0.00 35.95 39.93 1r56 h PHE 79 CO 0.18 -0.20 -0.03 0.78 -2.23 0.00 0.00 178.31 176.81 1r56 h GLY 80 N -0.16 0.37 0.85 2.40 0.00 -1.33 -0.26 103.07 104.94 1r56 h GLY 80 Ca 0.09 -0.20 -0.04 0.00 0.00 0.00 0.00 47.33 47.18 1r56 h GLY 80 CO -0.23 0.19 0.01 1.76 0.00 0.00 0.00 176.54 178.26 1r56 h SER 81 N 0.33 0.43 -0.27 0.19 0.02 -0.83 0.73 113.55 114.15 1r56 h SER 81 Ca 0.07 -0.30 0.00 0.00 -0.84 0.00 0.00 61.79 60.73 1r56 h SER 81 Cb 0.27 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 62.69 1r56 h SER 81 CO 0.01 0.62 0.18 0.40 -1.14 0.00 0.00 176.83 176.90 1r56 h ILE 82 N 0.22 1.08 0.28 3.27 2.04 -0.25 -1.81 117.51 122.34 1r56 h ILE 82 Ca 0.07 -0.15 -0.00 0.00 1.00 0.00 0.00 64.86 65.78 1r56 h ILE 82 Cb 0.40 0.69 -0.02 0.00 -0.74 0.00 0.00 36.82 37.15 1r56 h ILE 82 CO 0.01 0.07 -0.26 0.25 0.00 0.00 0.00 178.15 178.22 1r56 h LEU 83 N 0.36 -0.70 -1.26 1.44 5.85 -1.00 -1.49 115.31 118.50 1r56 h LEU 83 Ca 0.10 0.06 0.03 0.00 0.84 0.00 0.00 57.88 58.92 1r56 h LEU 83 Cb -0.03 0.24 -0.04 0.00 0.37 0.00 0.00 40.66 41.20 1r56 h LEU 83 CO -0.02 -0.39 0.51 1.23 -0.34 0.00 0.00 178.44 179.44 1r56 h GLY 84 N -0.57 1.09 1.11 3.75 0.00 -0.81 -2.97 103.07 104.68 1r56 h GLY 84 Ca -0.01 -0.38 -0.17 0.00 0.00 0.00 0.00 47.33 46.77 1r56 h GLY 84 CO -0.04 0.33 -0.47 -0.84 0.00 0.00 0.00 176.54 175.51 1r56 h THR 85 N 0.96 1.28 -0.69 4.70 2.02 -1.02 -3.19 112.91 116.96 1r56 h THR 85 Ca 0.31 -1.65 0.14 0.00 0.77 0.00 0.00 66.41 65.98 1r56 h THR 85 Cb 0.05 1.58 -0.10 0.00 -1.74 0.00 0.00 68.15 67.94 1r56 h THR 85 CO -0.09 0.54 0.17 -0.74 0.37 0.00 0.00 175.52 175.77 1r56 h HIS 86 N 0.65 0.26 -0.27 3.16 6.17 -1.11 -1.72 115.15 122.30 1r56 h HIS 86 Ca 0.03 0.04 -0.02 0.00 0.71 0.00 0.00 60.37 61.13 1r56 h HIS 86 Cb 1.08 -0.01 -0.01 0.00 2.52 0.00 0.00 27.41 30.98 1r56 h HIS 86 CO 0.07 -0.06 0.11 0.74 0.71 0.00 0.00 177.93 179.50 1r56 h PHE 87 N 0.28 0.41 0.00 5.26 0.04 -1.59 0.28 116.94 121.61 1r56 h PHE 87 Ca 0.38 -0.03 -0.07 0.00 2.80 0.00 0.00 57.97 61.05 1r56 h PHE 87 Cb 0.62 -0.12 -0.01 0.00 2.20 0.00 0.00 35.95 38.63 1r56 h PHE 87 CO -0.25 0.41 -0.33 -0.84 -0.60 0.00 0.00 178.31 176.71 1r56 h ILE 88 N 0.28 0.80 0.08 -0.55 3.07 -1.53 -2.41 117.51 117.25 1r56 h ILE 88 Ca 0.09 -1.37 -0.17 0.00 1.55 0.00 0.00 64.86 64.95 1r56 h ILE 88 Cb 0.18 1.86 0.02 0.00 -0.27 0.00 0.00 36.82 38.61 1r56 h ILE 88 CO -0.01 0.32 -0.71 -0.33 -1.05 0.00 0.00 178.15 176.37 1r56 h GLU 89 N 0.00 0.35 -0.55 0.16 5.08 -1.13 -3.36 114.58 115.13 1r56 h GLU 89 Ca -0.00 -0.48 -0.07 0.00 -1.00 0.00 0.00 59.36 57.81 1r56 h GLU 89 Cb 0.83 0.16 -0.02 0.00 0.50 0.00 0.00 28.75 30.22 1r56 h GLU 89 CO 0.04 1.18 0.07 -0.22 -1.00 0.00 0.00 179.01 179.07 1r56 h LYS 90 N -0.25 0.93 -5.21 2.33 1.63 -0.40 -3.43 116.57 112.17 1r56 h LYS 90 Ca -0.11 -0.26 -0.65 0.00 -0.85 0.00 0.00 60.65 58.77 1r56 h LYS 90 Cb 1.48 -0.10 -0.26 0.00 -0.60 0.00 0.00 32.23 32.75 1r56 h LYS 90 CO 0.14 0.91 -0.74 0.71 -3.45 0.00 0.00 179.45 177.02 1r56 s TYR 91 N -5.15 2.90 0.39 1.91 2.02 -0.91 -5.03 117.35 113.47 1r56 s TYR 91 Ca -0.12 -0.70 0.15 0.00 -0.37 0.00 0.00 57.07 56.03 1r56 s TYR 91 Cb 0.12 -1.95 0.88 0.00 -0.40 0.00 0.00 41.96 40.62 1r56 s TYR 91 CO 0.82 -0.30 1.90 -0.91 -1.57 0.00 0.00 175.55 175.49 1r56 h ASN 92 N 7.18 0.00 -0.16 2.29 2.35 -1.84 -2.93 115.58 122.46 1r56 h ASN 92 Ca -0.32 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.43 1r56 h ASN 92 Cb 1.19 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.56 1r56 h ASN 92 CO 0.59 0.29 0.00 0.00 -1.65 0.00 0.00 177.43 176.66 1r56 n HIS 93 N -4.08 0.18 -3.62 1.19 1.44 -1.26 -4.84 115.22 104.24 1r56 n HIS 93 Ca -0.02 -0.09 -0.38 0.00 -2.01 0.00 0.00 57.72 55.22 1r56 n HIS 93 Cb 0.35 0.00 -0.11 0.00 0.12 0.00 0.00 29.99 30.35 1r56 n HIS 93 CO 0.00 0.00 0.00 0.42 -2.81 0.00 0.00 176.34 173.95 1r56 s ILE 94 N -1.82 5.21 -0.54 0.61 -1.09 -1.11 -0.42 121.20 122.04 1r56 s ILE 94 Ca 0.33 0.13 0.12 0.00 -2.23 0.00 0.00 60.65 59.00 1r56 s ILE 94 Cb 0.21 -3.47 -0.14 0.00 -1.58 0.00 0.00 42.46 37.48 1r56 s ILE 94 CO 0.31 0.27 0.51 1.41 -1.23 0.00 0.00 174.94 176.20 1r56 n HIS 95 N 4.98 0.00 -3.70 3.97 8.25 -0.35 -4.58 115.22 123.79 1r56 n HIS 95 Ca -0.14 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.19 1r56 n HIS 95 Cb 0.52 -0.02 -0.09 0.00 1.12 0.00 0.00 29.99 31.52 1r56 n HIS 95 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1r56 s ALA 96 N -2.21 -1.24 -0.09 -1.41 0.00 -1.15 -0.53 121.76 115.13 1r56 s ALA 96 Ca 0.04 1.50 0.03 0.00 0.00 0.00 0.00 51.96 53.53 1r56 s ALA 96 Cb 0.09 -0.88 0.00 0.00 0.00 0.00 0.00 23.12 22.34 1r56 s ALA 96 CO 0.51 -0.25 -0.20 0.00 0.00 0.00 0.00 175.76 175.82 1r56 s ALA 97 N 0.57 1.82 -0.27 0.00 0.00 -0.09 -1.25 121.76 122.53 1r56 s ALA 97 Ca -0.02 -0.76 -0.05 0.00 0.00 0.00 0.00 51.96 51.12 1r56 s ALA 97 Cb -0.04 -0.71 0.01 0.00 0.00 0.00 0.00 23.12 22.37 1r56 s ALA 97 CO -0.03 0.23 0.03 -1.01 0.00 0.00 0.00 175.76 174.98 1r56 s HIS 98 N 0.44 3.11 -0.15 0.00 3.76 0.92 -1.41 115.29 121.96 1r56 s HIS 98 Ca -0.17 -1.11 -0.01 0.00 -0.15 0.00 0.00 55.06 53.63 1r56 s HIS 98 Cb -0.17 -2.19 -0.01 0.00 1.11 0.00 0.00 32.58 31.32 1r56 s HIS 98 CO 0.07 -0.61 -0.11 0.08 -0.85 0.00 0.00 174.74 173.32 1r56 s VAL 99 N 1.45 3.07 -0.13 -0.90 1.01 0.01 -0.87 120.40 124.04 1r56 s VAL 99 Ca 0.02 -0.64 0.02 0.00 0.00 0.00 0.00 61.98 61.39 1r56 s VAL 99 Cb -0.17 -2.31 0.01 0.00 0.00 0.00 0.00 36.38 33.91 1r56 s VAL 99 CO 0.00 0.50 -0.21 0.21 0.00 0.00 0.00 175.10 175.60 1r56 s ASN 100 N 0.66 3.21 -0.07 3.32 2.47 0.37 -0.84 114.94 124.06 1r56 s ASN 100 Ca -0.06 -0.57 0.01 0.00 0.42 0.00 0.00 52.86 52.66 1r56 s ASN 100 Cb -0.15 -1.46 0.02 0.00 -1.45 0.00 0.00 41.25 38.21 1r56 s ASN 100 CO 0.02 0.10 -0.07 -0.63 -3.72 0.00 0.00 177.10 172.81 1r56 s ILE 101 N 0.70 0.80 -0.21 -5.21 1.01 -0.30 -0.53 121.20 117.46 1r56 s ILE 101 Ca -0.10 -0.23 -0.04 0.00 0.00 0.00 0.00 60.65 60.29 1r56 s ILE 101 Cb -0.16 -0.81 -0.01 0.00 0.01 0.00 0.00 42.46 41.48 1r56 s ILE 101 CO 0.01 0.30 -0.04 -0.69 0.00 0.00 0.00 174.94 174.52 1r56 s VAL 102 N 1.21 3.40 -0.12 2.92 1.01 -0.35 -1.56 120.40 126.92 1r56 s VAL 102 Ca -0.05 -0.49 -0.09 0.00 0.00 0.00 0.00 61.98 61.35 1r56 s VAL 102 Cb -0.14 -2.54 -0.04 0.00 0.00 0.00 0.00 36.38 33.65 1r56 s VAL 102 CO -0.02 0.43 0.19 0.00 0.00 0.00 0.00 175.10 175.70 1r56 s HIS 104 N -0.66 2.99 0.05 0.00 3.76 -0.73 -3.02 115.29 117.68 1r56 s HIS 104 Ca 0.15 -0.01 -0.29 0.00 -0.15 0.00 0.00 55.06 54.76 1r56 s HIS 104 Cb -0.13 -1.56 -0.05 0.00 1.11 0.00 0.00 32.58 31.96 1r56 s HIS 104 CO 0.04 0.47 0.92 1.03 -0.85 0.00 0.00 174.74 176.35 1r56 s ARG 105 N -2.14 4.60 -0.39 1.40 0.52 -1.26 -4.55 118.95 117.14 1r56 s ARG 105 Ca 0.24 1.34 0.01 0.00 -0.52 0.00 0.00 55.73 56.81 1r56 s ARG 105 Cb -0.12 -3.41 0.12 0.00 0.52 0.00 0.00 34.95 32.07 1r56 s ARG 105 CO 0.16 0.12 0.19 -1.58 0.02 0.00 0.00 175.30 174.21 1r56 s TRP 106 N 0.40 1.84 -0.17 -0.53 0.23 -1.26 -4.32 118.94 115.13 1r56 s TRP 106 Ca 0.47 -2.16 -0.19 0.00 -2.03 0.00 0.00 56.10 52.19 1r56 s TRP 106 Cb -0.22 -1.79 -0.03 0.00 0.03 0.00 0.00 33.47 31.46 1r56 s TRP 106 CO 0.27 -0.82 0.54 0.99 0.96 0.00 0.00 176.95 178.89 1r56 s THR 107 N 0.83 5.11 0.22 2.01 2.01 0.54 -4.81 115.64 121.55 1r56 s THR 107 Ca 0.15 1.03 -0.32 0.00 0.31 0.00 0.00 61.69 62.86 1r56 s THR 107 Cb -0.22 -3.87 -0.14 0.00 0.01 0.00 0.00 72.50 68.28 1r56 s THR 107 CO -0.08 0.21 1.39 -1.14 -0.69 0.00 0.00 174.62 174.31 1r56 n ARG 108 N 4.45 1.89 -2.67 4.92 0.63 -1.26 -0.83 116.66 123.80 1r56 n ARG 108 Ca -0.04 0.67 -0.40 0.00 -0.92 0.00 0.00 57.85 57.16 1r56 n ARG 108 Cb 0.51 -2.32 -0.05 0.00 0.45 0.00 0.00 32.46 31.04 1r56 n ARG 108 CO 0.00 0.00 0.00 -1.64 -2.51 0.00 0.00 177.63 173.48 1r56 s MET 109 N -0.23 4.79 -0.41 -0.14 -1.94 -0.07 -4.83 119.30 116.46 1r56 s MET 109 Ca 0.71 1.59 -0.15 0.00 -1.71 0.00 0.00 55.69 56.12 1r56 s MET 109 Cb -0.69 -3.25 0.02 0.00 2.01 0.00 0.00 34.83 32.92 1r56 s MET 109 CO 0.49 0.42 0.32 -0.51 -0.01 0.00 0.00 175.02 175.73 1r56 s ASP 110 N -1.08 6.12 -0.21 3.03 1.01 -1.26 0.40 116.67 124.68 1r56 s ASP 110 Ca 0.42 -0.91 -0.05 0.00 0.71 0.00 0.00 52.55 52.73 1r56 s ASP 110 Cb -0.28 -2.17 -0.02 0.00 1.01 0.00 0.00 42.92 41.47 1r56 s ASP 110 CO 0.35 -0.47 -0.01 -0.63 0.21 0.00 0.00 175.17 174.61 1r56 s ILE 111 N 1.72 3.77 -1.47 0.77 -1.09 -0.61 -4.64 121.20 119.65 1r56 s ILE 111 Ca 0.06 -0.37 -0.11 0.00 -2.23 0.00 0.00 60.65 57.99 1r56 s ILE 111 Cb -0.19 -2.71 0.06 0.00 -1.58 0.00 0.00 42.46 38.04 1r56 s ILE 111 CO 0.10 0.42 1.00 0.47 -1.23 0.00 0.00 174.94 175.69 1r56 n ASP 112 N 4.49 -4.68 0.00 3.58 8.00 -1.26 -1.27 116.55 125.40 1r56 n ASP 112 Ca -0.17 -0.74 0.00 0.00 0.71 0.00 0.00 54.79 54.59 1r56 n ASP 112 Cb 0.51 -4.14 0.00 0.00 -0.02 0.00 0.00 41.12 37.47 1r56 n ASP 112 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1r56 n GLY 113 N -1.73 2.63 3.35 0.44 0.00 -1.26 -5.03 105.19 103.59 1r56 n GLY 113 Ca -0.01 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 1r56 n GLY 113 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1r56 s LYS 114 N -0.24 3.20 0.07 1.61 -2.85 -0.40 -5.05 119.74 116.08 1r56 s LYS 114 Ca 0.00 -0.73 -0.36 0.00 -1.00 0.00 0.00 55.97 53.88 1r56 s LYS 114 Cb 0.00 -2.52 -0.15 0.00 -2.06 0.00 0.00 37.83 33.10 1r56 s LYS 114 CO 0.00 0.26 1.52 -0.35 0.10 0.00 0.00 175.35 176.88 1r56 n PRO 115 N 3.37 1.66 -2.71 1.78 -0.04 -1.26 -1.57 135.00 136.24 1r56 n PRO 115 Ca -0.18 0.60 -0.40 0.00 -0.04 0.00 0.00 63.50 63.48 1r56 n PRO 115 Cb 0.53 -2.32 -0.05 0.00 -0.04 0.00 0.00 33.50 31.61 1r56 n PRO 115 CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 1r56 s HIS 116 N 1.21 3.90 0.48 0.54 2.46 0.16 -4.86 115.29 119.19 1r56 s HIS 116 Ca 0.84 1.86 0.29 0.00 0.47 0.00 0.00 55.06 58.52 1r56 s HIS 116 Cb -0.82 -3.04 1.61 0.00 -0.13 0.00 0.00 32.58 30.20 1r56 s HIS 116 CO 0.45 0.26 2.15 -1.00 -2.47 0.00 0.00 174.74 174.13 1r56 h PRO 117 N 4.39 0.00 0.00 2.88 0.13 -1.90 -3.38 132.00 134.11 1r56 h PRO 117 Ca -0.45 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.55 1r56 h PRO 117 Cb 1.20 0.00 -0.19 0.00 0.13 0.00 0.00 31.00 32.15 1r56 h PRO 117 CO 0.69 0.07 -0.47 -2.39 -0.23 0.00 0.00 178.00 175.67 1r56 n HIS 118 N -3.71 0.00 -4.89 1.56 1.44 -1.26 -0.81 115.22 107.54 1r56 n HIS 118 Ca -0.02 -0.45 -0.28 0.00 -2.01 0.00 0.00 57.72 54.96 1r56 n HIS 118 Cb 0.18 0.30 -0.17 0.00 0.12 0.00 0.00 29.99 30.42 1r56 n HIS 118 CO 0.00 0.00 0.00 -1.12 -2.81 0.00 0.00 176.34 172.41 1r56 s SER 119 N -1.19 2.37 0.18 4.39 0.01 -1.26 -5.04 113.70 113.15 1r56 s SER 119 Ca 0.09 -0.41 0.04 0.00 1.31 0.00 0.00 55.95 56.98 1r56 s SER 119 Cb 0.10 -0.94 -0.05 0.00 0.21 0.00 0.00 66.02 65.34 1r56 s SER 119 CO -0.04 0.12 -0.07 -0.36 0.41 0.00 0.00 173.24 173.30 1r56 s PHE 120 N 0.34 1.40 0.04 2.43 0.40 -1.26 -0.89 117.98 120.43 1r56 s PHE 120 Ca -0.12 -0.80 0.03 0.00 -0.60 0.00 0.00 56.93 55.43 1r56 s PHE 120 Cb -0.15 -0.74 -0.02 0.00 0.51 0.00 0.00 43.02 42.61 1r56 s PHE 120 CO 0.05 0.06 -0.10 -1.50 0.70 0.00 0.00 175.22 174.43 1r56 s ILE 121 N -3.34 0.71 -0.78 0.64 2.07 -0.01 -4.86 121.20 115.64 1r56 s ILE 121 Ca 0.21 -0.97 -0.18 0.00 -1.41 0.00 0.00 60.65 58.30 1r56 s ILE 121 Cb 0.03 -0.71 0.14 0.00 0.13 0.00 0.00 42.46 42.05 1r56 s ILE 121 CO 0.04 -0.21 0.91 -0.60 -1.91 0.00 0.00 174.94 173.17 1r56 s ARG 122 N -1.31 3.39 -0.00 3.50 6.06 -1.26 -0.34 118.95 128.99 1r56 s ARG 122 Ca -0.05 -1.69 -0.06 0.00 -2.50 0.00 0.00 55.73 51.43 1r56 s ARG 122 Cb -0.08 -4.56 -0.03 0.00 0.06 0.00 0.00 34.95 30.33 1r56 s ARG 122 CO 0.01 -1.61 0.66 0.38 -2.50 0.00 0.00 175.30 172.23 1r56 h ASP 123 N 8.79 -0.18 -1.07 -2.12 2.03 -1.92 -3.47 116.42 118.48 1r56 h ASP 123 Ca -0.03 0.01 -0.54 0.00 -0.73 0.00 0.00 57.03 55.74 1r56 h ASP 123 Cb 1.05 0.05 -0.04 0.00 -0.83 0.00 0.00 39.33 39.56 1r56 h ASP 123 CO 1.04 -0.07 -0.34 -0.55 -1.03 0.00 0.00 179.24 178.28 1r56 s SER 124 N -3.06 4.79 0.00 4.15 0.15 -1.26 -4.95 113.70 113.51 1r56 s SER 124 Ca -0.03 -1.01 0.21 0.00 0.70 0.00 0.00 55.95 55.81 1r56 s SER 124 Cb 0.00 -0.08 0.73 0.00 -1.71 0.00 0.00 66.02 64.96 1r56 s SER 124 CO 0.10 -0.87 1.54 -0.62 1.20 0.00 0.00 173.24 174.58 1r56 n GLU 125 N -1.64 1.77 -1.93 5.44 4.71 -1.26 -4.54 120.64 123.19 1r56 n GLU 125 Ca 0.01 -1.15 -0.42 0.00 -0.01 0.00 0.00 57.16 55.59 1r56 n GLU 125 Cb 0.63 -1.40 -0.03 0.00 -1.01 0.00 0.00 31.44 29.64 1r56 n GLU 125 CO 0.00 0.00 0.00 -2.00 0.09 0.00 0.00 177.13 175.22 1r56 s GLU 126 N -1.78 4.21 0.17 3.49 2.12 -1.25 -4.81 118.70 120.85 1r56 s GLU 126 Ca 0.32 2.38 0.07 0.00 0.36 0.00 0.00 54.97 58.11 1r56 s GLU 126 Cb 0.18 -3.12 -0.04 0.00 0.26 0.00 0.00 34.13 31.40 1r56 s GLU 126 CO 0.26 -0.57 0.01 0.15 -0.54 0.00 0.00 175.26 174.57 1r56 s LYS 127 N 0.59 2.44 -0.20 4.30 -0.14 -0.40 -4.44 119.74 121.89 1r56 s LYS 127 Ca 0.67 -1.08 -0.02 0.00 -1.36 0.00 0.00 55.97 54.17 1r56 s LYS 127 Cb -0.44 -2.38 -0.00 0.00 -1.68 0.00 0.00 37.83 33.32 1r56 s LYS 127 CO 0.36 0.46 -0.08 0.50 -0.76 0.00 0.00 175.35 175.83 1r56 s ARG 128 N -2.93 3.32 0.32 1.68 3.52 -1.17 -2.14 118.95 121.56 1r56 s ARG 128 Ca 0.28 -0.67 0.10 0.00 -0.13 0.00 0.00 55.73 55.31 1r56 s ARG 128 Cb -0.09 -2.88 -0.06 0.00 -1.56 0.00 0.00 34.95 30.36 1r56 s ARG 128 CO 0.19 -0.13 -0.12 -0.80 -0.81 0.00 0.00 175.30 173.63 1r56 s ASN 129 N 1.26 3.62 -0.05 -2.12 -0.87 -0.45 -0.79 114.94 115.54 1r56 s ASN 129 Ca 0.03 -1.16 -0.09 0.00 -1.57 0.00 0.00 52.86 50.08 1r56 s ASN 129 Cb -0.14 -0.32 0.02 0.00 -0.02 0.00 0.00 41.25 40.78 1r56 s ASN 129 CO -0.04 -0.15 0.22 0.68 -2.57 0.00 0.00 177.10 175.24 1r56 s VAL 130 N -2.62 0.04 -0.13 1.60 -7.23 -0.60 -1.07 120.40 110.38 1r56 s VAL 130 Ca 0.32 -0.29 0.01 0.00 -1.81 0.00 0.00 61.98 60.20 1r56 s VAL 130 Cb 0.01 -0.41 0.02 0.00 0.56 0.00 0.00 36.38 36.56 1r56 s VAL 130 CO 0.16 -0.16 -0.14 -1.58 -0.31 0.00 0.00 175.10 173.06 1r56 s GLN 131 N -0.59 2.23 -0.14 4.82 0.74 -0.01 -1.15 119.66 125.55 1r56 s GLN 131 Ca -0.07 -0.54 0.02 0.00 0.05 0.00 0.00 55.36 54.82 1r56 s GLN 131 Cb -0.04 -1.99 0.01 0.00 1.10 0.00 0.00 33.01 32.08 1r56 s GLN 131 CO 0.01 -0.17 -0.20 0.08 -0.55 0.00 0.00 175.29 174.47 1r56 s VAL 132 N 1.30 2.27 -0.25 1.34 1.01 -0.02 -0.96 120.40 125.09 1r56 s VAL 132 Ca 0.00 -0.91 -0.01 0.00 0.00 0.00 0.00 61.98 61.06 1r56 s VAL 132 Cb -0.14 -1.92 0.03 0.00 0.00 0.00 0.00 36.38 34.35 1r56 s VAL 132 CO -0.07 0.54 -0.07 -1.81 0.00 0.00 0.00 175.10 173.69 1r56 s ASP 133 N 0.80 4.27 -0.33 3.32 1.01 0.15 -0.81 116.67 125.09 1r56 s ASP 133 Ca -0.07 -0.91 -0.03 0.00 0.71 0.00 0.00 52.55 52.25 1r56 s ASP 133 Cb -0.16 -1.65 0.05 0.00 1.01 0.00 0.00 42.92 42.18 1r56 s ASP 133 CO -0.01 -0.13 0.06 -0.69 0.21 0.00 0.00 175.17 174.62 1r56 s VAL 134 N 1.31 3.30 -0.13 -1.27 1.01 -0.50 -1.17 120.40 122.94 1r56 s VAL 134 Ca -0.00 -1.40 0.01 0.00 0.00 0.00 0.00 61.98 60.59 1r56 s VAL 134 Cb -0.17 -2.94 -0.01 0.00 0.00 0.00 0.00 36.38 33.27 1r56 s VAL 134 CO -0.05 -0.21 -0.17 -0.69 0.00 0.00 0.00 175.10 173.98 1r56 s VAL 135 N 1.29 2.66 -0.12 2.92 1.01 -1.09 -0.91 120.40 126.16 1r56 s VAL 135 Ca -0.02 -0.79 -0.35 0.00 0.00 0.00 0.00 61.98 60.81 1r56 s VAL 135 Cb -0.20 -2.09 -0.12 0.00 0.00 0.00 0.00 36.38 33.96 1r56 s VAL 135 CO -0.00 0.53 1.87 1.21 0.00 0.00 0.00 175.10 178.71 1r56 n GLU 136 N 3.68 2.05 -2.69 2.72 2.13 0.31 -1.19 120.64 127.64 1r56 n GLU 136 Ca -0.19 0.75 -0.15 0.00 0.66 0.00 0.00 57.16 58.24 1r56 n GLU 136 Cb 0.52 -2.58 0.02 0.00 0.27 0.00 0.00 31.44 29.68 1r56 n GLU 136 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1r56 n GLY 137 N 4.40 -0.12 0.39 8.31 0.00 -1.26 -4.86 105.19 112.05 1r56 n GLY 137 Ca 0.23 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 46.05 1r56 n GLY 137 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1r56 n LYS 138 N -2.83 0.00 0.00 1.61 5.02 -0.33 -5.15 118.16 116.48 1r56 n LYS 138 Ca -0.09 -0.40 0.00 0.00 -2.02 0.00 0.00 58.31 55.81 1r56 n LYS 138 Cb 0.59 -0.22 0.00 0.00 -0.02 0.00 0.00 35.03 35.38 1r56 n LYS 138 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1r56 n GLY 139 N 0.00 0.68 3.16 0.72 0.00 -1.20 -4.74 105.19 103.80 1r56 n GLY 139 Ca 0.00 -0.81 -0.33 0.00 0.00 0.00 0.00 46.02 44.87 1r56 n GLY 139 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1r56 s ILE 140 N 0.00 2.33 -0.15 -0.61 1.01 0.61 -2.66 121.20 121.73 1r56 s ILE 140 Ca 0.00 -0.87 -0.12 0.00 0.00 0.00 0.00 60.65 59.66 1r56 s ILE 140 Cb 0.00 -2.01 -0.05 0.00 0.01 0.00 0.00 42.46 40.41 1r56 s ILE 140 CO 0.00 0.50 0.26 -1.81 0.00 0.00 0.00 174.94 173.89 1r56 s ASP 141 N 1.32 6.42 -0.07 3.58 1.01 -0.32 -1.15 116.67 127.47 1r56 s ASP 141 Ca 0.05 0.49 0.01 0.00 0.71 0.00 0.00 52.55 53.81 1r56 s ASP 141 Cb -0.13 -2.16 0.02 0.00 1.01 0.00 0.00 42.92 41.66 1r56 s ASP 141 CO -0.11 0.17 -0.06 -0.63 0.21 0.00 0.00 175.17 174.75 1r56 s ILE 142 N 0.14 0.75 -0.23 0.77 1.01 -1.26 -0.67 121.20 121.71 1r56 s ILE 142 Ca 0.15 -0.20 0.02 0.00 0.00 0.00 0.00 60.65 60.62 1r56 s ILE 142 Cb -0.13 -0.76 0.04 0.00 0.01 0.00 0.00 42.46 41.62 1r56 s ILE 142 CO 0.04 0.29 -0.14 -0.54 0.00 0.00 0.00 174.94 174.58 1r56 s LYS 143 N 1.15 2.61 0.16 2.79 1.02 -0.14 -1.29 119.74 126.04 1r56 s LYS 143 Ca -0.07 -1.10 0.01 0.00 0.02 0.00 0.00 55.97 54.83 1r56 s LYS 143 Cb -0.14 -2.77 -0.04 0.00 -0.52 0.00 0.00 37.83 34.36 1r56 s LYS 143 CO -0.01 -0.41 0.32 -1.12 -0.92 0.00 0.00 175.35 173.21 1r56 s SER 144 N 1.20 6.36 0.18 2.83 0.01 -0.64 -0.83 113.70 122.81 1r56 s SER 144 Ca -0.02 0.27 -0.23 0.00 1.31 0.00 0.00 55.95 57.27 1r56 s SER 144 Cb -0.17 -1.95 0.06 0.00 0.21 0.00 0.00 66.02 64.17 1r56 s SER 144 CO -0.08 0.03 0.72 -0.94 0.41 0.00 0.00 173.24 173.38 1r56 s SER 145 N -3.12 -0.39 0.00 2.44 1.04 -0.23 -1.12 113.70 112.32 1r56 s SER 145 Ca 0.36 -0.26 0.04 0.00 0.48 0.00 0.00 55.95 56.58 1r56 s SER 145 Cb -0.11 0.60 -0.01 0.00 0.10 0.00 0.00 66.02 66.60 1r56 s SER 145 CO 0.29 -1.04 -0.13 -1.48 0.98 0.00 0.00 173.24 171.85 1r56 s LEU 146 N -2.80 2.06 0.16 2.42 0.05 0.51 -1.34 118.68 119.75 1r56 s LEU 146 Ca 0.06 -0.29 -0.10 0.00 0.05 0.00 0.00 54.13 53.85 1r56 s LEU 146 Cb -0.03 -0.64 -0.00 0.00 -2.05 0.00 0.00 46.19 43.47 1r56 s LEU 146 CO -0.04 0.12 0.32 -0.94 -0.55 0.00 0.00 176.35 175.26 1r56 s SER 147 N -0.52 -0.00 -0.87 1.48 1.04 -0.91 -1.17 113.70 112.75 1r56 s SER 147 Ca 0.04 -0.80 0.00 0.00 0.48 0.00 0.00 55.95 55.67 1r56 s SER 147 Cb -0.06 0.45 0.00 0.00 0.10 0.00 0.00 66.02 66.51 1r56 s SER 147 CO -0.00 -0.91 0.00 0.61 0.98 0.00 0.00 173.24 173.92 1r56 n GLY 148 N -0.22 1.01 3.54 7.32 0.00 -1.22 -1.27 105.19 114.34 1r56 n GLY 148 Ca -0.08 -0.61 -0.42 0.00 0.00 0.00 0.00 46.02 44.91 1r56 n GLY 148 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1r56 s LEU 149 N -1.86 4.40 -0.23 0.99 2.96 -1.24 -3.89 118.68 119.80 1r56 s LEU 149 Ca 0.00 -0.14 -0.06 0.00 -0.22 0.00 0.00 54.13 53.71 1r56 s LEU 149 Cb 0.00 -2.72 -0.03 0.00 0.50 0.00 0.00 46.19 43.95 1r56 s LEU 149 CO 0.00 -0.67 0.04 -0.89 -1.32 0.00 0.00 176.35 173.52 1r56 s THR 150 N 2.70 4.16 0.12 3.68 2.01 -1.26 0.56 115.64 127.61 1r56 s THR 150 Ca 0.22 -0.23 0.05 0.00 0.31 0.00 0.00 61.69 62.05 1r56 s THR 150 Cb -0.14 -2.93 -0.04 0.00 0.01 0.00 0.00 72.50 69.40 1r56 s THR 150 CO 0.17 0.37 -0.13 0.68 -0.69 0.00 0.00 174.62 175.02 1r56 s VAL 151 N 1.42 1.22 -0.05 3.82 -7.23 -0.22 -5.00 120.40 114.37 1r56 s VAL 151 Ca 0.05 -1.75 -0.05 0.00 -1.81 0.00 0.00 61.98 58.43 1r56 s VAL 151 Cb -0.15 -1.53 0.01 0.00 0.56 0.00 0.00 36.38 35.27 1r56 s VAL 151 CO 0.02 -0.49 0.13 -0.22 -0.31 0.00 0.00 175.10 174.23 1r56 s LEU 152 N -2.55 1.51 -0.11 1.32 0.20 -1.26 -0.84 118.68 116.95 1r56 s LEU 152 Ca 0.09 0.24 0.02 0.00 0.69 0.00 0.00 54.13 55.17 1r56 s LEU 152 Cb -0.03 0.45 0.01 0.00 -0.43 0.00 0.00 46.19 46.18 1r56 s LEU 152 CO 0.02 -0.06 -0.17 -1.59 -0.29 0.00 0.00 176.35 174.27 1r56 s LYS 153 N 0.01 2.39 0.00 1.98 -2.85 0.59 -5.00 119.74 116.86 1r56 s LYS 153 Ca -0.01 -0.62 0.17 0.00 -1.00 0.00 0.00 55.97 54.51 1r56 s LYS 153 Cb -0.01 -1.99 0.76 0.00 -2.06 0.00 0.00 37.83 34.53 1r56 s LYS 153 CO 0.00 -0.04 1.52 -1.13 0.10 0.00 0.00 175.35 175.80 1r56 n SER 154 N 4.13 0.00 -1.47 0.03 3.41 -1.26 -2.08 113.62 116.38 1r56 n SER 154 Ca -0.19 0.32 -0.00 0.00 -0.26 0.00 0.00 58.87 58.73 1r56 n SER 154 Cb 0.51 -0.42 0.00 0.00 -0.26 0.00 0.00 64.21 64.05 1r56 n SER 154 CO 0.00 0.00 0.00 1.07 -0.16 0.00 0.00 175.04 175.95 1r56 n THR 155 N -1.42 0.00 -3.25 6.66 5.66 -1.25 -4.48 114.28 116.20 1r56 n THR 155 Ca 0.06 -0.10 -0.16 0.00 -3.05 0.00 0.00 64.05 60.79 1r56 n THR 155 Cb 0.17 0.15 0.06 0.00 -1.55 0.00 0.00 70.33 69.16 1r56 n THR 155 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 175.07 172.61 1r56 n ASN 156 N -0.67 -4.33 -3.82 1.09 4.13 -1.26 -4.85 115.26 105.55 1r56 n ASN 156 Ca -0.00 -0.42 -0.12 0.00 1.68 0.00 0.00 54.58 55.71 1r56 n ASN 156 Cb 0.12 -3.92 -0.11 0.00 -1.54 0.00 0.00 39.78 34.32 1r56 n ASN 156 CO 0.00 0.00 0.00 -0.55 0.28 0.00 0.00 177.26 176.99 1r56 s SER 157 N -3.47 -0.13 0.24 6.41 0.15 -1.26 -3.81 113.70 111.83 1r56 s SER 157 Ca 0.31 0.20 0.01 0.00 0.70 0.00 0.00 55.95 57.17 1r56 s SER 157 Cb -0.14 0.33 -0.04 0.00 -1.71 0.00 0.00 66.02 64.47 1r56 s SER 157 CO 0.55 -0.17 0.14 -1.10 1.20 0.00 0.00 173.24 173.86 1r56 s GLN 158 N -0.38 1.34 -0.29 5.44 -0.21 -0.14 -1.33 119.66 124.10 1r56 s GLN 158 Ca -0.05 -1.73 -0.02 0.00 0.02 0.00 0.00 55.36 53.58 1r56 s GLN 158 Cb -0.03 0.12 0.17 0.00 1.00 0.00 0.00 33.01 34.27 1r56 s GLN 158 CO 0.01 -0.40 0.57 0.12 -2.12 0.00 0.00 175.29 173.46 1r56 s PHE 159 N -3.94 -1.45 0.07 0.91 5.36 -0.64 -3.89 117.98 114.40 1r56 s PHE 159 Ca 0.39 1.63 -0.26 0.00 -0.96 0.00 0.00 56.93 57.73 1r56 s PHE 159 Cb 0.06 0.50 0.08 0.00 -0.34 0.00 0.00 43.02 43.32 1r56 s PHE 159 CO 0.14 -0.83 0.68 1.67 -1.46 0.00 0.00 175.22 175.43 1r56 s TRP 160 N 2.81 -0.53 0.00 10.12 1.48 -1.26 -1.21 118.94 130.35 1r56 s TRP 160 Ca 0.17 0.50 0.00 0.00 -1.06 0.00 0.00 56.10 55.71 1r56 s TRP 160 Cb -0.15 0.52 0.00 0.00 -1.16 0.00 0.00 33.47 32.68 1r56 s TRP 160 CO -0.20 -0.72 0.00 0.41 -4.06 0.00 0.00 176.95 172.38 1r56 n GLY 161 N -0.02 0.49 3.81 3.67 0.00 -1.26 -5.03 105.19 106.85 1r56 n GLY 161 Ca -0.16 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.56 1r56 n GLY 161 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1r56 s PHE 162 N -2.20 3.00 0.36 1.61 -0.71 -1.26 -4.96 117.98 113.81 1r56 s PHE 162 Ca 0.00 1.32 -0.28 0.00 -1.04 0.00 0.00 56.93 56.93 1r56 s PHE 162 Cb 0.00 -2.97 -0.11 0.00 -1.21 0.00 0.00 43.02 38.73 1r56 s PHE 162 CO 0.00 -1.44 1.48 -1.17 -1.34 0.00 0.00 175.22 172.75 1r56 s LEU 163 N -5.64 4.34 -0.01 -1.99 0.20 -1.26 -5.04 118.68 109.28 1r56 s LEU 163 Ca 0.59 2.99 0.05 0.00 0.69 0.00 0.00 54.13 58.45 1r56 s LEU 163 Cb -0.14 -3.66 -0.01 0.00 -0.43 0.00 0.00 46.19 41.94 1r56 s LEU 163 CO 0.55 -0.84 -0.16 -0.13 -0.29 0.00 0.00 176.35 175.48 1r56 s ARG 164 N -1.78 1.29 0.00 1.98 0.52 -1.26 -4.97 118.95 114.73 1r56 s ARG 164 Ca 0.54 -0.59 0.00 0.00 -0.52 0.00 0.00 55.73 55.16 1r56 s ARG 164 Cb -0.46 -1.25 0.00 0.00 0.52 0.00 0.00 34.95 33.76 1r56 s ARG 164 CO 0.59 0.34 0.00 -0.40 0.02 0.00 0.00 175.30 175.86 1r56 n ASP 165 N 2.64 0.00 0.00 0.23 5.68 -1.26 -4.99 116.55 118.85 1r56 n ASP 165 Ca -0.15 -0.50 0.05 0.00 -0.50 0.00 0.00 54.79 53.70 1r56 n ASP 165 Cb 0.54 0.00 0.30 0.00 -1.14 0.00 0.00 41.12 40.82 1r56 n ASP 165 CO 0.00 0.00 0.00 -1.84 -1.33 0.00 0.00 177.20 174.03 1r56 n GLU 166 N 0.00 0.50 0.00 0.11 0.00 -1.26 -1.70 120.64 118.28 1r56 n GLU 166 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 57.16 57.20 1r56 n GLU 166 Cb 0.00 -1.32 -0.04 0.00 0.00 0.00 0.00 31.44 30.08 1r56 n GLU 166 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.13 177.79 1r56 n TYR 167 N -0.82 0.00 -3.26 -1.84 4.01 -1.26 -5.00 117.16 108.99 1r56 n TYR 167 Ca 0.08 0.00 -0.38 0.00 -0.16 0.00 0.00 57.90 57.44 1r56 n TYR 167 Cb 0.03 0.00 -0.06 0.00 -0.31 0.00 0.00 39.34 39.01 1r56 n TYR 167 CO 0.00 0.00 0.00 0.99 -0.46 0.00 0.00 176.86 177.39 1r56 s THR 168 N -1.71 4.72 0.00 -0.72 2.01 -0.69 -4.90 115.64 114.35 1r56 s THR 168 Ca 0.04 1.16 0.00 0.00 0.31 0.00 0.00 61.69 63.21 1r56 s THR 168 Cb 0.07 -3.87 0.00 0.00 0.01 0.00 0.00 72.50 68.71 1r56 s THR 168 CO 0.34 0.44 0.00 0.35 -0.69 0.00 0.00 174.62 175.06 1r56 n THR 169 N 1.39 0.00 -1.94 -0.82 -2.24 -1.26 -4.84 114.28 104.57 1r56 n THR 169 Ca -0.08 -0.01 -0.41 0.00 -2.27 0.00 0.00 64.05 61.28 1r56 n THR 169 Cb 0.51 0.43 -0.02 0.00 -2.10 0.00 0.00 70.33 69.15 1r56 n THR 169 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 1r56 s LEU 170 N -0.07 4.37 0.12 3.22 2.96 -1.26 -5.00 118.68 123.02 1r56 s LEU 170 Ca 0.00 2.79 -0.08 0.00 -0.22 0.00 0.00 54.13 56.62 1r56 s LEU 170 Cb 0.00 -3.64 -0.06 0.00 0.50 0.00 0.00 46.19 42.99 1r56 s LEU 170 CO 0.00 -0.75 0.41 -0.54 -1.32 0.00 0.00 176.35 174.16 1r56 s LYS 171 N -0.88 3.73 0.53 1.98 1.02 -1.26 -5.07 119.74 119.80 1r56 s LYS 171 Ca 0.58 0.12 -0.20 0.00 0.02 0.00 0.00 55.97 56.49 1r56 s LYS 171 Cb -0.44 -2.91 -0.06 0.00 -0.52 0.00 0.00 37.83 33.90 1r56 s LYS 171 CO 0.49 0.50 1.12 -1.21 -0.92 0.00 0.00 175.35 175.33 1r56 s GLU 172 N -2.23 3.43 0.08 1.68 2.02 -1.26 -5.00 118.70 117.40 1r56 s GLU 172 Ca 0.37 1.58 0.02 0.00 0.02 0.00 0.00 54.97 56.96 1r56 s GLU 172 Cb -0.13 -2.02 -0.04 0.00 0.10 0.00 0.00 34.13 32.04 1r56 s GLU 172 CO 0.20 -0.78 -0.07 -0.08 0.02 0.00 0.00 175.26 174.55 1r56 s THR 173 N -1.80 0.66 0.00 3.63 -1.32 -0.35 -5.02 115.64 111.44 1r56 s THR 173 Ca 0.72 -1.62 0.00 0.00 -1.21 0.00 0.00 61.69 59.58 1r56 s THR 173 Cb -0.23 -1.29 0.00 0.00 -1.51 0.00 0.00 72.50 69.47 1r56 s THR 173 CO 0.26 -0.68 0.49 0.79 -2.21 0.00 0.00 174.62 173.26 1r56 n TRP 174 N 0.51 0.00 -3.57 9.09 8.01 -1.26 -1.62 117.44 128.60 1r56 n TRP 174 Ca -0.16 -0.05 -0.08 0.00 -1.31 0.00 0.00 57.50 55.90 1r56 n TRP 174 Cb 0.58 -0.01 -0.08 0.00 -2.01 0.00 0.00 31.31 29.80 1r56 n TRP 174 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.69 177.02 1r56 s ASP 175 N -0.11 -0.27 0.20 -0.99 2.15 -1.24 -4.60 116.67 111.82 1r56 s ASP 175 Ca 0.00 0.87 -0.13 0.00 0.43 0.00 0.00 52.55 53.72 1r56 s ASP 175 Cb 0.00 1.41 0.00 0.00 -0.30 0.00 0.00 42.92 44.03 1r56 s ASP 175 CO 0.00 -0.25 0.42 0.00 -0.17 0.00 0.00 175.17 175.17 1r56 s ARG 176 N 2.63 1.35 -0.02 4.34 1.70 -0.44 -4.98 118.95 123.53 1r56 s ARG 176 Ca 0.02 -1.09 -0.25 0.00 -0.47 0.00 0.00 55.73 53.93 1r56 s ARG 176 Cb -0.13 0.45 -0.04 0.00 -0.57 0.00 0.00 34.95 34.66 1r56 s ARG 176 CO -0.14 -0.54 0.77 0.42 -1.08 0.00 0.00 175.30 174.73 1r56 s ILE 177 N -3.95 4.91 -0.19 4.99 1.01 -1.26 -3.78 121.20 122.92 1r56 s ILE 177 Ca 0.16 1.62 -0.01 0.00 0.00 0.00 0.00 60.65 62.42 1r56 s ILE 177 Cb 0.01 -4.12 0.00 0.00 0.01 0.00 0.00 42.46 38.36 1r56 s ILE 177 CO 0.02 0.27 -0.12 -0.22 0.00 0.00 0.00 174.94 174.89 1r56 s LEU 178 N 0.54 2.55 0.01 2.97 2.96 -0.88 -4.83 118.68 121.99 1r56 s LEU 178 Ca 0.40 -0.49 0.02 0.00 -0.22 0.00 0.00 54.13 53.84 1r56 s LEU 178 Cb -0.19 -1.62 -0.01 0.00 0.50 0.00 0.00 46.19 44.87 1r56 s LEU 178 CO 0.22 0.01 -0.06 -0.55 -1.32 0.00 0.00 176.35 174.64 1r56 s SER 179 N 1.28 0.71 0.10 3.68 0.15 -1.26 -0.30 113.70 118.05 1r56 s SER 179 Ca 0.03 -0.19 -0.25 0.00 0.70 0.00 0.00 55.95 56.24 1r56 s SER 179 Cb -0.14 -0.05 0.08 0.00 -1.71 0.00 0.00 66.02 64.20 1r56 s SER 179 CO -0.06 0.02 0.69 0.28 1.20 0.00 0.00 173.24 175.37 1r56 s THR 180 N -0.38 0.00 -0.04 6.45 -1.32 -0.02 -1.26 115.64 119.07 1r56 s THR 180 Ca -0.00 0.00 -0.13 0.00 -1.21 0.00 0.00 61.69 60.35 1r56 s THR 180 Cb -0.04 -1.00 -0.05 0.00 -1.51 0.00 0.00 72.50 69.90 1r56 s THR 180 CO -0.00 0.00 0.34 -1.81 -2.21 0.00 0.00 174.62 170.94 1r56 s ASP 181 N -2.57 6.69 -0.24 8.08 1.01 -1.14 -1.05 116.67 127.45 1r56 s ASP 181 Ca 0.02 0.82 -0.06 0.00 0.71 0.00 0.00 52.55 54.03 1r56 s ASP 181 Cb -0.01 -2.20 -0.02 0.00 1.01 0.00 0.00 42.92 41.69 1r56 s ASP 181 CO -0.10 0.33 0.03 -0.69 0.21 0.00 0.00 175.17 174.95 1r56 s VAL 182 N -0.95 4.04 -0.27 -1.27 1.01 0.19 -3.67 120.40 119.48 1r56 s VAL 182 Ca 0.21 -0.27 -0.05 0.00 0.00 0.00 0.00 61.98 61.88 1r56 s VAL 182 Cb -0.15 -2.87 0.01 0.00 0.00 0.00 0.00 36.38 33.37 1r56 s VAL 182 CO 0.11 0.37 0.02 -0.62 0.00 0.00 0.00 175.10 174.98 1r56 s ASP 183 N 1.50 4.80 -0.13 3.32 -1.08 -0.86 -3.40 116.67 120.83 1r56 s ASP 183 Ca 0.06 -0.75 0.00 0.00 -0.52 0.00 0.00 52.55 51.34 1r56 s ASP 183 Cb -0.15 -1.80 0.02 0.00 -1.46 0.00 0.00 42.92 39.54 1r56 s ASP 183 CO 0.02 -0.16 -0.12 0.00 0.52 0.00 0.00 175.17 175.43 1r56 s ALA 184 N 1.44 1.62 -0.13 3.66 0.00 -0.32 -1.25 121.76 126.78 1r56 s ALA 184 Ca 0.02 -0.73 0.02 0.00 0.00 0.00 0.00 51.96 51.27 1r56 s ALA 184 Cb -0.17 -0.94 -0.00 0.00 0.00 0.00 0.00 23.12 22.01 1r56 s ALA 184 CO -0.00 -0.32 -0.19 0.99 0.00 0.00 0.00 175.76 176.24 1r56 s THR 185 N 1.43 2.39 -0.19 0.00 2.01 -0.24 -0.36 115.64 120.68 1r56 s THR 185 Ca 0.02 -0.89 0.00 0.00 0.31 0.00 0.00 61.69 61.13 1r56 s THR 185 Cb -0.13 -1.96 0.01 0.00 0.01 0.00 0.00 72.50 70.43 1r56 s THR 185 CO -0.08 0.54 -0.17 -1.66 -0.69 0.00 0.00 174.62 172.57 1r56 s TRP 186 N 0.57 2.81 -0.22 4.92 -2.14 -0.27 0.71 118.94 125.32 1r56 s TRP 186 Ca -0.11 -1.49 -0.20 0.00 2.66 0.00 0.00 56.10 56.95 1r56 s TRP 186 Cb -0.16 -1.96 -0.02 0.00 -3.10 0.00 0.00 33.47 28.23 1r56 s TRP 186 CO 0.04 -0.75 0.62 -1.14 -2.66 0.00 0.00 176.95 173.06 1r56 s GLN 187 N 1.31 4.17 0.71 3.25 0.74 -0.44 -1.62 119.66 127.79 1r56 s GLN 187 Ca 0.05 0.57 -0.11 0.00 0.05 0.00 0.00 55.36 55.92 1r56 s GLN 187 Cb -0.13 -3.60 0.02 0.00 1.10 0.00 0.00 33.01 30.39 1r56 s GLN 187 CO -0.11 -0.30 1.07 -1.58 -0.55 0.00 0.00 175.29 173.83 1r56 s TRP 188 N 2.12 3.18 0.32 1.67 0.52 -0.41 -0.78 118.94 125.55 1r56 s TRP 188 Ca 0.27 1.24 -0.28 0.00 0.02 0.00 0.00 56.10 57.36 1r56 s TRP 188 Cb -0.16 -2.96 -0.09 0.00 -1.15 0.00 0.00 33.47 29.11 1r56 s TRP 188 CO 0.10 -1.27 1.06 0.21 0.02 0.00 0.00 176.95 177.07 1r56 s LYS 189 N -5.17 4.50 -0.09 4.98 2.20 -0.39 -4.61 119.74 121.17 1r56 s LYS 189 Ca 0.58 1.67 -0.41 0.00 -0.36 0.00 0.00 55.97 57.45 1r56 s LYS 189 Cb -0.13 -2.98 -0.19 0.00 -1.51 0.00 0.00 37.83 33.02 1r56 s LYS 189 CO 0.54 0.13 1.27 -1.71 -0.36 0.00 0.00 175.35 175.22 1r56 n ASN 190 N 0.79 0.73 -4.88 1.43 2.85 -1.26 -4.86 115.26 110.05 1r56 n ASN 190 Ca 0.01 1.15 -0.33 0.00 -0.11 0.00 0.00 54.58 55.30 1r56 n ASN 190 Cb 0.47 -0.99 -0.05 0.00 1.24 0.00 0.00 39.78 40.45 1r56 n ASN 190 CO 0.00 0.00 0.00 -0.36 -2.11 0.00 0.00 177.26 174.79 1r56 s PHE 191 N 0.88 3.50 -0.65 1.20 0.08 -0.30 -4.95 117.98 117.75 1r56 s PHE 191 Ca 0.93 0.33 0.25 0.00 0.12 0.00 0.00 56.93 58.55 1r56 s PHE 191 Cb -1.23 -1.81 0.51 0.00 -0.57 0.00 0.00 43.02 39.92 1r56 s PHE 191 CO 0.60 0.63 1.50 0.66 -0.10 0.00 0.00 175.22 178.51 1r56 h SER 192 N 3.82 0.00 0.00 1.36 4.64 -1.92 0.17 113.55 121.63 1r56 h SER 192 Ca -0.49 -0.11 0.00 0.00 -0.47 0.00 0.00 61.79 60.72 1r56 h SER 192 Cb 1.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 1r56 h SER 192 CO 0.68 0.05 0.00 0.61 -0.87 0.00 0.00 176.83 177.31 1r56 n GLY 193 N 1.30 -1.89 0.31 -0.77 0.00 -1.26 -4.35 105.19 98.53 1r56 n GLY 193 Ca 0.04 -1.14 0.03 0.00 0.00 0.00 0.00 46.02 44.95 1r56 n GLY 193 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1r56 h LEU 194 N 0.00 0.50 -0.87 0.99 6.46 -1.94 -2.59 115.31 117.85 1r56 h LEU 194 Ca 0.00 -0.02 -0.03 0.00 -0.12 0.00 0.00 57.88 57.70 1r56 h LEU 194 Cb 0.00 -0.12 -0.04 0.00 -0.73 0.00 0.00 40.66 39.77 1r56 h LEU 194 CO 0.00 0.39 0.40 1.56 -0.62 0.00 0.00 178.44 180.17 1r56 h GLN 195 N 0.57 1.22 -0.34 1.25 4.20 -1.99 -1.41 115.11 118.62 1r56 h GLN 195 Ca 0.15 -0.18 -0.03 0.00 0.06 0.00 0.00 58.65 58.65 1r56 h GLN 195 Cb -0.01 -0.22 -0.01 0.00 0.30 0.00 0.00 27.48 27.54 1r56 h GLN 195 CO -0.03 0.94 0.09 1.49 -0.67 0.00 0.00 178.83 180.65 1r56 h GLU 196 N 1.21 0.53 -0.21 1.46 4.81 -1.87 -2.22 114.58 118.28 1r56 h GLU 196 Ca 0.29 -0.12 0.01 0.00 -0.13 0.00 0.00 59.36 59.41 1r56 h GLU 196 Cb 0.12 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.41 1r56 h GLU 196 CO -0.04 0.58 0.12 0.28 -0.73 0.00 0.00 179.01 179.22 1r56 h VAL 197 N 0.39 1.02 -0.46 0.32 2.07 -1.37 -1.49 116.25 116.73 1r56 h VAL 197 Ca 0.11 -0.09 0.09 0.00 0.82 0.00 0.00 66.70 67.63 1r56 h VAL 197 Cb 0.28 0.75 -0.02 0.00 -1.52 0.00 0.00 31.29 30.77 1r56 h VAL 197 CO -0.00 0.05 0.32 0.03 0.02 0.00 0.00 177.57 177.98 1r56 h ARG 198 N 0.25 0.20 0.00 1.57 3.08 -1.13 -0.91 114.38 117.45 1r56 h ARG 198 Ca 0.08 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.12 1r56 h ARG 198 Cb 0.00 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.01 1r56 h ARG 198 CO -0.04 0.13 0.00 0.66 -1.07 0.00 0.00 179.97 179.65 1r56 h SER 199 N 0.21 0.00 -0.34 7.04 4.64 -0.64 -3.10 113.55 121.36 1r56 h SER 199 Ca 0.21 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.53 1r56 h SER 199 Cb 0.56 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.65 1r56 h SER 199 CO -0.04 0.00 0.00 1.41 -0.87 0.00 0.00 176.83 177.33 1r56 n HIS 200 N -2.75 0.45 -0.33 4.77 8.25 -0.39 -4.71 115.22 120.50 1r56 n HIS 200 Ca 0.03 -0.38 0.21 0.00 -0.26 0.00 0.00 57.72 57.32 1r56 n HIS 200 Cb 0.39 -0.02 0.40 0.00 1.12 0.00 0.00 29.99 31.88 1r56 n HIS 200 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 1r56 h VAL 201 N 2.62 0.04 0.00 1.59 2.07 -1.36 0.09 116.25 121.30 1r56 h VAL 201 Ca 0.00 -0.01 -0.05 0.00 0.82 0.00 0.00 66.70 67.46 1r56 h VAL 201 Cb 0.74 0.01 -0.01 0.00 -1.52 0.00 0.00 31.29 30.52 1r56 h VAL 201 CO 0.00 0.01 -0.25 -0.65 0.02 0.00 0.00 177.57 176.70 1r56 h PRO 202 N 0.03 0.00 -0.13 1.57 0.11 -1.87 -2.95 132.00 128.76 1r56 h PRO 202 Ca 0.69 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 66.73 1r56 h PRO 202 Cb 1.59 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.69 1r56 h PRO 202 CO -0.84 0.25 -0.21 0.87 -0.21 0.00 0.00 178.00 177.85 1r56 h LYS 203 N 0.00 0.22 0.32 1.05 1.57 -1.34 -3.28 116.57 115.10 1r56 h LYS 203 Ca -0.00 -0.06 -0.02 0.00 -1.87 0.00 0.00 60.65 58.70 1r56 h LYS 203 Cb 0.57 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.86 1r56 h LYS 203 CO 0.03 0.43 -0.15 0.74 -0.57 0.00 0.00 179.45 179.93 1r56 h PHE 204 N 0.20 -0.39 -0.64 -1.35 0.04 -1.60 0.06 116.94 113.26 1r56 h PHE 204 Ca 0.04 -0.01 -0.09 0.00 2.80 0.00 0.00 57.97 60.71 1r56 h PHE 204 Cb 0.49 0.13 -0.02 0.00 2.20 0.00 0.00 35.95 38.75 1r56 h PHE 204 CO 0.01 -0.23 0.07 -0.44 -0.60 0.00 0.00 178.31 177.12 1r56 h ASP 205 N -0.45 1.05 0.01 2.17 3.32 -1.76 -2.69 116.42 118.08 1r56 h ASP 205 Ca -0.04 -0.28 -0.00 0.00 0.02 0.00 0.00 57.03 56.73 1r56 h ASP 205 Cb 0.34 -0.28 0.00 0.00 0.22 0.00 0.00 39.33 39.61 1r56 h ASP 205 CO 0.07 1.07 -0.01 0.00 -1.72 0.00 0.00 179.24 178.65 1r56 h ALA 206 N 1.02 -0.02 0.00 3.45 0.00 -1.60 0.14 119.26 122.26 1r56 h ALA 206 Ca 0.19 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 55.03 1r56 h ALA 206 Cb 0.48 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 1r56 h ALA 206 CO 0.02 -0.48 -0.20 1.15 0.00 0.00 0.00 179.25 179.74 1r56 h THR 207 N -0.07 0.88 -0.04 0.00 2.02 -0.98 0.12 112.91 114.85 1r56 h THR 207 Ca -0.00 -0.75 -0.08 0.00 0.77 0.00 0.00 66.41 66.34 1r56 h THR 207 Cb 0.07 1.44 0.01 0.00 -1.74 0.00 0.00 68.15 67.92 1r56 h THR 207 CO 0.00 0.20 -0.31 -0.25 0.37 0.00 0.00 175.52 175.53 1r56 h TRP 208 N 0.00 0.38 -0.56 3.16 7.01 -1.13 -0.91 115.95 123.89 1r56 h TRP 208 Ca -0.00 -0.18 0.03 0.00 2.11 0.00 0.00 58.89 60.85 1r56 h TRP 208 Cb 0.42 -0.05 -0.03 0.00 -2.10 0.00 0.00 29.16 27.40 1r56 h TRP 208 CO 0.00 0.94 0.37 0.00 -2.79 0.00 0.00 178.44 176.96 1r56 h ALA 209 N 0.36 1.71 -0.04 2.65 0.00 -0.43 -1.15 119.26 122.37 1r56 h ALA 209 Ca -0.03 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.76 1r56 h ALA 209 Cb 1.00 -0.18 0.01 0.00 0.00 0.00 0.00 17.79 18.61 1r56 h ALA 209 CO 0.06 0.22 -0.34 1.15 0.00 0.00 0.00 179.25 180.35 1r56 h THR 210 N 0.65 1.46 -0.45 0.00 2.02 -1.00 -1.47 112.91 114.13 1r56 h THR 210 Ca 0.23 -1.83 -0.02 0.00 0.77 0.00 0.00 66.41 65.56 1r56 h THR 210 Cb 0.09 2.48 -0.02 0.00 -1.74 0.00 0.00 68.15 68.96 1r56 h THR 210 CO -0.06 0.52 0.20 0.00 0.37 0.00 0.00 175.52 176.55 1r56 h ALA 211 N 0.37 1.52 0.12 6.16 0.00 -0.87 -1.19 119.26 125.36 1r56 h ALA 211 Ca -0.03 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 1r56 h ALA 211 Cb 1.03 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.63 1r56 h ALA 211 CO 0.07 0.38 -0.06 -0.09 0.00 0.00 0.00 179.25 179.56 1r56 h ARG 212 N 0.63 -0.15 -0.92 0.00 2.43 -1.11 -2.47 114.38 112.78 1r56 h ARG 212 Ca 0.16 0.01 0.10 0.00 -0.81 0.00 0.00 59.98 59.44 1r56 h ARG 212 Cb 0.09 0.03 -0.08 0.00 -0.42 0.00 0.00 29.97 29.60 1r56 h ARG 212 CO -0.02 0.31 0.56 1.49 -1.51 0.00 0.00 179.97 180.80 1r56 h GLU 213 N -0.70 0.89 -0.26 0.20 4.81 -1.02 -1.72 114.58 116.78 1r56 h GLU 213 Ca -0.02 -0.05 -0.07 0.00 -0.13 0.00 0.00 59.36 59.09 1r56 h GLU 213 Cb 0.53 -0.20 -0.01 0.00 0.63 0.00 0.00 28.75 29.70 1r56 h GLU 213 CO 0.03 0.59 -0.12 0.28 -0.73 0.00 0.00 179.01 179.05 1r56 h VAL 214 N 0.92 1.30 -0.35 0.32 2.07 -1.31 -1.60 116.25 117.61 1r56 h VAL 214 Ca 0.45 -1.20 0.02 0.00 0.82 0.00 0.00 66.70 66.79 1r56 h VAL 214 Cb 0.40 1.53 -0.03 0.00 -1.52 0.00 0.00 31.29 31.67 1r56 h VAL 214 CO -0.25 0.38 0.17 0.74 0.02 0.00 0.00 177.57 178.63 1r56 h THR 215 N 0.27 0.98 -0.24 2.57 2.02 -0.99 -1.43 112.91 116.09 1r56 h THR 215 Ca 0.06 -0.12 -0.07 0.00 0.77 0.00 0.00 66.41 67.05 1r56 h THR 215 Cb 0.63 0.59 -0.01 0.00 -1.74 0.00 0.00 68.15 67.63 1r56 h THR 215 CO 0.04 0.07 -0.11 -0.07 0.37 0.00 0.00 175.52 175.81 1r56 h LEU 216 N 0.36 0.51 0.25 2.58 4.07 -1.29 -2.21 115.31 119.58 1r56 h LEU 216 Ca 0.15 -0.41 -0.01 0.00 0.08 0.00 0.00 57.88 57.69 1r56 h LEU 216 Cb 0.06 -0.14 0.00 0.00 1.08 0.00 0.00 40.66 41.66 1r56 h LEU 216 CO -0.10 0.81 -0.12 0.50 -1.08 0.00 0.00 178.44 178.45 1r56 h LYS 217 N 0.22 -0.32 -0.63 1.13 3.64 -1.25 -1.99 116.57 117.37 1r56 h LYS 217 Ca 0.05 0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.43 1r56 h LYS 217 Cb 0.61 0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 32.48 1r56 h LYS 217 CO 0.03 -0.17 0.28 1.15 -2.27 0.00 0.00 179.45 178.47 1r56 h THR 218 N -0.39 1.21 -0.10 1.00 2.02 -1.36 -0.40 112.91 114.89 1r56 h THR 218 Ca -0.03 -0.63 -0.01 0.00 0.77 0.00 0.00 66.41 66.51 1r56 h THR 218 Cb 0.30 0.44 -0.00 0.00 -1.74 0.00 0.00 68.15 67.14 1r56 h THR 218 CO 0.06 0.26 0.01 0.15 0.37 0.00 0.00 175.52 176.37 1r56 h PHE 219 N 0.89 0.18 -0.31 3.16 3.57 -1.26 -2.15 116.94 121.02 1r56 h PHE 219 Ca 0.22 -0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.67 1r56 h PHE 219 Cb 0.13 -0.05 -0.01 0.00 2.79 0.00 0.00 35.95 38.81 1r56 h PHE 219 CO 0.01 0.38 0.11 0.00 -2.23 0.00 0.00 178.31 176.59 1r56 h ALA 220 N 0.78 0.41 0.00 2.41 0.00 -1.13 -3.33 119.26 118.40 1r56 h ALA 220 Ca 0.03 -0.14 -0.21 0.00 0.00 0.00 0.00 54.91 54.59 1r56 h ALA 220 Cb 0.30 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 1r56 h ALA 220 CO 0.00 0.02 -1.16 0.93 0.00 0.00 0.00 179.25 179.05 1r56 h GLU 221 N 0.35 0.00 -6.26 0.00 5.08 -1.14 -3.45 114.58 109.16 1r56 h GLU 221 Ca 0.10 0.00 -0.55 0.00 -1.00 0.00 0.00 59.36 57.91 1r56 h GLU 221 Cb 0.21 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.42 1r56 h GLU 221 CO -0.01 0.73 1.24 0.34 -1.00 0.00 0.00 179.01 180.31 1r56 s ASP 222 N -6.42 5.83 -0.55 1.42 2.15 -0.81 -4.95 116.67 113.35 1r56 s ASP 222 Ca -0.00 0.83 -0.25 0.00 0.43 0.00 0.00 52.55 53.56 1r56 s ASP 222 Cb 0.09 -2.53 0.04 0.00 -0.30 0.00 0.00 42.92 40.21 1r56 s ASP 222 CO 0.81 -1.84 1.01 0.21 -0.17 0.00 0.00 175.17 175.19 1r56 s ASN 223 N 6.03 6.39 0.09 -0.34 3.84 -1.26 -4.85 114.94 124.84 1r56 s ASN 223 Ca 0.70 -0.17 -0.05 0.00 0.21 0.00 0.00 52.86 53.55 1r56 s ASN 223 Cb -0.17 -2.47 -0.02 0.00 -0.55 0.00 0.00 41.25 38.04 1r56 s ASN 223 CO 0.29 -1.28 0.11 -0.55 -2.79 0.00 0.00 177.10 172.88 1r56 s SER 224 N 2.81 0.26 -0.13 -4.21 0.15 -1.25 -5.02 113.70 106.31 1r56 s SER 224 Ca 0.35 -0.87 0.15 0.00 0.70 0.00 0.00 55.95 56.28 1r56 s SER 224 Cb -0.11 0.30 0.47 0.00 -1.71 0.00 0.00 66.02 64.97 1r56 s SER 224 CO 0.22 -0.70 1.38 0.00 1.20 0.00 0.00 173.24 175.33 1r56 n ALA 225 N -0.02 2.78 -3.63 5.45 0.00 -1.25 -0.96 120.51 122.87 1r56 n ALA 225 Ca -0.13 -1.97 -0.17 0.00 0.00 0.00 0.00 53.44 51.17 1r56 n ALA 225 Cb 0.62 -0.64 -0.15 0.00 0.00 0.00 0.00 19.45 19.28 1r56 n ALA 225 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1r56 s SER 226 N -1.65 0.90 0.22 0.00 0.15 -1.26 -4.48 113.70 107.58 1r56 s SER 226 Ca 0.37 0.21 0.00 0.00 0.70 0.00 0.00 55.95 57.24 1r56 s SER 226 Cb 0.28 0.34 0.21 0.00 -1.71 0.00 0.00 66.02 65.14 1r56 s SER 226 CO 0.11 -0.27 1.56 0.58 1.20 0.00 0.00 173.24 176.42 1r56 h VAL 227 N 6.34 1.33 -0.27 4.45 2.07 -1.92 -2.38 116.25 125.88 1r56 h VAL 227 Ca -0.14 -1.77 0.06 0.00 0.82 0.00 0.00 66.70 65.66 1r56 h VAL 227 Cb 1.13 1.78 -0.05 0.00 -1.52 0.00 0.00 31.29 32.62 1r56 h VAL 227 CO 0.18 0.54 -0.09 1.56 0.02 0.00 0.00 177.57 179.78 1r56 h GLN 228 N 0.34 -0.03 -0.50 1.57 7.50 -1.99 -0.91 115.11 121.09 1r56 h GLN 228 Ca 0.01 0.00 -0.03 0.00 0.50 0.00 0.00 58.65 59.14 1r56 h GLN 228 Cb 1.03 0.01 -0.02 0.00 0.05 0.00 0.00 27.48 28.54 1r56 h GLN 228 CO 0.09 -0.02 0.21 0.00 -1.50 0.00 0.00 178.83 177.62 1r56 h ALA 229 N 1.23 0.65 -0.72 3.87 0.00 -1.96 -1.81 119.26 120.52 1r56 h ALA 229 Ca 0.14 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1r56 h ALA 229 Cb 0.23 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.79 1r56 h ALA 229 CO -0.30 0.24 0.45 1.15 0.00 0.00 0.00 179.25 180.79 1r56 h THR 230 N 0.66 1.20 0.00 0.00 2.02 -0.82 -2.03 112.91 113.94 1r56 h THR 230 Ca 0.17 -0.40 -0.06 0.00 0.77 0.00 0.00 66.41 66.88 1r56 h THR 230 Cb 0.17 0.16 -0.01 0.00 -1.74 0.00 0.00 68.15 66.73 1r56 h THR 230 CO -0.02 0.20 -0.47 0.00 0.37 0.00 0.00 175.52 175.60 1r56 h MET 231 N 0.99 0.00 -0.49 6.66 -0.00 -0.93 -2.68 114.93 118.48 1r56 h MET 231 Ca 0.26 0.00 -0.04 0.00 -0.00 0.00 0.00 59.70 59.92 1r56 h MET 231 Cb -0.07 0.00 -0.02 0.00 -0.00 0.00 0.00 31.60 31.51 1r56 h MET 231 CO -0.05 0.26 0.14 -0.92 -0.00 0.00 0.00 176.91 176.34 1r56 h TYR 232 N 0.00 0.80 -0.41 -0.10 3.20 -1.00 -1.37 116.97 118.09 1r56 h TYR 232 Ca -0.02 -0.09 -0.01 0.00 3.14 0.00 0.00 58.73 61.76 1r56 h TYR 232 Cb 1.23 -0.23 -0.02 0.00 1.54 0.00 0.00 36.73 39.26 1r56 h TYR 232 CO 0.00 0.70 0.23 0.87 -1.64 0.00 0.00 178.16 178.32 1r56 h LYS 233 N 0.66 0.56 -0.26 1.82 1.57 -1.28 -0.17 116.57 119.47 1r56 h LYS 233 Ca 0.16 -0.06 0.04 0.00 -1.87 0.00 0.00 60.65 58.92 1r56 h LYS 233 Cb 0.29 -0.11 -0.04 0.00 0.08 0.00 0.00 32.23 32.45 1r56 h LYS 233 CO -0.00 0.44 0.03 0.52 -0.57 0.00 0.00 179.45 179.87 1r56 h MET 234 N 0.53 0.11 -0.72 3.15 2.86 -1.28 -2.52 114.93 117.06 1r56 h MET 234 Ca 0.14 -0.01 0.01 0.00 -2.06 0.00 0.00 59.70 57.79 1r56 h MET 234 Cb 0.04 -0.03 -0.04 0.00 0.06 0.00 0.00 31.60 31.63 1r56 h MET 234 CO -0.02 0.08 0.48 0.00 1.06 0.00 0.00 176.91 178.50 1r56 h ALA 235 N 1.21 0.92 -0.25 6.32 0.00 -0.76 -2.77 119.26 123.93 1r56 h ALA 235 Ca 0.12 -0.05 0.02 0.00 0.00 0.00 0.00 54.91 55.01 1r56 h ALA 235 Cb 0.14 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 1r56 h ALA 235 CO -0.18 0.32 0.12 0.93 0.00 0.00 0.00 179.25 180.43 1r56 h GLU 236 N 0.97 0.24 -0.50 0.00 5.08 -0.86 -2.55 114.58 116.95 1r56 h GLU 236 Ca 0.27 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.61 1r56 h GLU 236 Cb -0.09 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.08 1r56 h GLU 236 CO -0.07 0.16 0.30 1.96 -1.00 0.00 0.00 179.01 180.36 1r56 h GLN 237 N 0.25 0.69 -0.16 2.33 4.20 -1.27 -2.72 115.11 118.44 1r56 h GLN 237 Ca 0.11 -0.06 0.01 0.00 0.06 0.00 0.00 58.65 58.76 1r56 h GLN 237 Cb 0.04 -0.14 -0.02 0.00 0.30 0.00 0.00 27.48 27.66 1r56 h GLN 237 CO -0.08 0.50 0.06 0.82 -0.67 0.00 0.00 178.83 179.46 1r56 h ILE 238 N 0.67 0.97 -0.28 2.54 2.04 -1.37 -1.18 117.51 120.91 1r56 h ILE 238 Ca 0.18 -0.05 0.08 0.00 1.00 0.00 0.00 64.86 66.07 1r56 h ILE 238 Cb -0.00 0.82 -0.01 0.00 -0.74 0.00 0.00 36.82 36.89 1r56 h ILE 238 CO -0.03 0.03 0.22 -0.07 0.00 0.00 0.00 178.15 178.29 1r56 h LEU 239 N 0.14 0.00 0.04 1.44 3.38 -1.37 -1.80 115.31 117.14 1r56 h LEU 239 Ca 0.07 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 57.80 1r56 h LEU 239 Cb 0.03 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.76 1r56 h LEU 239 CO -0.07 0.00 -1.17 0.00 0.09 0.00 0.00 178.44 177.30 1r56 h ALA 240 N 1.83 0.33 0.00 1.53 0.00 -1.01 -3.24 119.26 118.70 1r56 h ALA 240 Ca 0.13 -0.98 0.00 0.00 0.00 0.00 0.00 54.91 54.07 1r56 h ALA 240 Cb 0.57 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.33 1r56 h ALA 240 CO -0.00 1.21 -0.09 0.00 0.00 0.00 0.00 179.25 180.37 1r56 h ARG 241 N 0.02 0.00 -3.14 0.00 3.08 -0.72 -3.43 114.38 110.19 1r56 h ARG 241 Ca -0.08 0.00 -0.54 0.00 0.07 0.00 0.00 59.98 59.42 1r56 h ARG 241 Cb 1.86 0.00 -0.40 0.00 0.08 0.00 0.00 29.97 31.51 1r56 h ARG 241 CO 0.14 0.00 -0.77 -1.14 -1.07 0.00 0.00 179.97 177.14 1r56 s GLN 242 N -3.18 0.41 0.41 0.04 2.00 -0.73 -4.98 119.66 113.64 1r56 s GLN 242 Ca 0.08 -0.69 0.07 0.00 -2.00 0.00 0.00 55.36 52.82 1r56 s GLN 242 Cb 0.08 -1.58 0.87 0.00 0.80 0.00 0.00 33.01 33.18 1r56 s GLN 242 CO 0.65 -0.96 2.06 0.37 -0.50 0.00 0.00 175.29 176.92 1r56 h GLN 243 N 8.28 0.52 0.00 1.67 5.75 -1.85 -2.46 115.11 127.02 1r56 h GLN 243 Ca -0.17 -0.03 0.00 0.00 -0.15 0.00 0.00 58.65 58.30 1r56 h GLN 243 Cb 1.03 -0.12 0.00 0.00 1.07 0.00 0.00 27.48 29.46 1r56 h GLN 243 CO 0.43 0.35 0.00 1.28 -2.65 0.00 0.00 178.83 178.25 1r56 n LEU 244 N -4.47 0.00 -4.79 -2.39 4.32 -1.26 -4.72 117.00 103.69 1r56 n LEU 244 Ca 0.03 0.39 -0.38 0.00 -0.02 0.00 0.00 56.01 56.02 1r56 n LEU 244 Cb 0.06 -0.39 -0.06 0.00 -1.62 0.00 0.00 43.42 41.42 1r56 n LEU 244 CO 0.35 -0.17 0.22 -0.63 -1.22 0.00 0.00 177.39 175.94 1r56 s ILE 245 N -2.77 4.92 -0.24 -0.08 -1.09 -0.93 -1.26 121.20 119.75 1r56 s ILE 245 Ca 0.12 1.10 -0.01 0.00 -2.23 0.00 0.00 60.65 59.63 1r56 s ILE 245 Cb 0.11 -3.85 -0.18 0.00 -1.58 0.00 0.00 42.46 36.96 1r56 s ILE 245 CO 0.27 0.49 -0.14 -0.62 -1.23 0.00 0.00 174.94 173.71 1r56 n GLU 246 N 2.32 0.66 -4.03 2.79 1.02 0.04 -4.87 120.64 118.57 1r56 n GLU 246 Ca -0.10 0.18 -0.08 0.00 -0.02 0.00 0.00 57.16 57.14 1r56 n GLU 246 Cb 0.51 -1.55 -0.10 0.00 -0.02 0.00 0.00 31.44 30.28 1r56 n GLU 246 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 1r56 s THR 247 N -2.52 0.16 -0.05 2.62 -4.23 -1.18 -4.02 115.64 106.42 1r56 s THR 247 Ca -0.33 -1.35 0.02 0.00 -1.18 0.00 0.00 61.69 58.85 1r56 s THR 247 Cb 0.09 -0.89 0.01 0.00 1.34 0.00 0.00 72.50 73.05 1r56 s THR 247 CO 0.62 -0.74 -0.09 -0.69 -0.54 0.00 0.00 174.62 173.17 1r56 s VAL 248 N -2.69 0.88 -0.03 2.29 1.01 -0.86 -1.33 120.40 119.67 1r56 s VAL 248 Ca -0.04 -0.35 0.05 0.00 0.00 0.00 0.00 61.98 61.64 1r56 s VAL 248 Cb -0.01 -0.82 -0.01 0.00 0.00 0.00 0.00 36.38 35.54 1r56 s VAL 248 CO -0.05 0.29 -0.19 -0.70 0.00 0.00 0.00 175.10 174.45 1r56 s GLU 249 N 0.62 1.78 0.04 2.72 2.12 0.22 0.05 118.70 126.25 1r56 s GLU 249 Ca -0.11 -0.68 0.06 0.00 0.36 0.00 0.00 54.97 54.60 1r56 s GLU 249 Cb -0.14 -1.61 -0.02 0.00 0.26 0.00 0.00 34.13 32.62 1r56 s GLU 249 CO 0.02 0.34 -0.18 0.71 -0.54 0.00 0.00 175.26 175.61 1r56 s TYR 250 N -0.20 1.59 -0.09 5.30 2.02 -0.49 -1.07 117.35 124.40 1r56 s TYR 250 Ca 0.01 -0.36 -0.02 0.00 -0.37 0.00 0.00 57.07 56.33 1r56 s TYR 250 Cb -0.10 -0.95 0.04 0.00 -0.40 0.00 0.00 41.96 40.55 1r56 s TYR 250 CO 0.01 0.06 0.04 0.45 -1.57 0.00 0.00 175.55 174.54 1r56 s SER 251 N -1.07 1.72 -0.28 2.29 0.15 -0.38 -2.02 113.70 114.12 1r56 s SER 251 Ca 0.05 -0.21 0.03 0.00 0.70 0.00 0.00 55.95 56.52 1r56 s SER 251 Cb -0.08 -0.31 0.07 0.00 -1.71 0.00 0.00 66.02 63.98 1r56 s SER 251 CO 0.01 -0.26 -0.08 -0.76 1.20 0.00 0.00 173.24 173.36 1r56 s LEU 252 N 2.06 3.69 -0.65 3.45 1.43 0.29 -2.03 118.68 126.91 1r56 s LEU 252 Ca 0.04 -1.51 -0.19 0.00 -1.03 0.00 0.00 54.13 51.43 1r56 s LEU 252 Cb -0.13 -1.57 0.11 0.00 0.03 0.00 0.00 46.19 44.62 1r56 s LEU 252 CO -0.05 -0.23 0.79 -2.84 0.23 0.00 0.00 176.35 174.26 1r56 s PRO 253 N 1.08 3.15 0.88 1.29 0.02 -1.24 -0.65 135.00 139.52 1r56 s PRO 253 Ca -0.06 -1.36 -0.13 0.00 0.02 0.00 0.00 61.00 59.47 1r56 s PRO 253 Cb -0.20 -4.34 0.04 0.00 0.02 0.00 0.00 34.50 30.02 1r56 s PRO 253 CO -0.05 -1.60 0.60 0.09 -0.33 0.00 0.00 177.00 175.71 1r56 n ASN 254 N 6.43 -1.29 -3.59 2.53 4.13 0.39 -2.88 115.26 120.98 1r56 n ASN 254 Ca -0.04 0.43 -0.28 0.00 1.68 0.00 0.00 54.58 56.37 1r56 n ASN 254 Cb 0.44 -1.27 -0.16 0.00 -1.54 0.00 0.00 39.78 37.25 1r56 n ASN 254 CO 0.00 0.00 0.00 -0.54 0.28 0.00 0.00 177.26 177.00 1r56 s LYS 255 N -3.60 0.20 0.14 3.52 1.02 -0.39 -4.19 119.74 116.44 1r56 s LYS 255 Ca 0.62 -0.37 -0.30 0.00 0.02 0.00 0.00 55.97 55.94 1r56 s LYS 255 Cb -0.25 -1.54 -0.07 0.00 -0.52 0.00 0.00 37.83 35.45 1r56 s LYS 255 CO 0.63 -0.85 1.01 -1.01 -0.92 0.00 0.00 175.35 174.21 1r56 s HIS 256 N 2.07 3.74 -0.29 3.18 3.76 -1.26 -4.23 115.29 122.26 1r56 s HIS 256 Ca 0.05 1.73 0.02 0.00 -0.15 0.00 0.00 55.06 56.71 1r56 s HIS 256 Cb -0.16 -3.13 0.07 0.00 1.11 0.00 0.00 32.58 30.46 1r56 s HIS 256 CO -0.23 -0.08 -0.04 0.71 -0.85 0.00 0.00 174.74 174.25 1r56 s TYR 257 N -0.16 3.37 0.43 1.40 1.51 -1.26 0.07 117.35 122.71 1r56 s TYR 257 Ca 0.47 -2.34 -0.19 0.00 -1.01 0.00 0.00 57.07 54.01 1r56 s TYR 257 Cb -0.26 -2.22 -0.10 0.00 -0.11 0.00 0.00 41.96 39.27 1r56 s TYR 257 CO 0.32 -0.88 0.93 -0.06 -1.11 0.00 0.00 175.55 174.75 1r56 s PHE 258 N 1.11 3.35 0.45 2.71 0.40 -0.35 -4.84 117.98 120.80 1r56 s PHE 258 Ca -0.04 1.53 -0.17 0.00 -0.60 0.00 0.00 56.93 57.65 1r56 s PHE 258 Cb -0.20 -2.79 -0.09 0.00 0.51 0.00 0.00 43.02 40.45 1r56 s PHE 258 CO -0.04 -0.13 0.92 -1.21 0.70 0.00 0.00 175.22 175.45 1r56 s GLU 259 N -3.33 4.02 -0.34 0.44 2.02 -1.26 -0.59 118.70 119.64 1r56 s GLU 259 Ca 0.60 0.91 0.00 0.00 0.02 0.00 0.00 54.97 56.51 1r56 s GLU 259 Cb -0.09 -2.21 0.09 0.00 0.10 0.00 0.00 34.13 32.01 1r56 s GLU 259 CO 0.17 -0.12 0.07 0.42 0.02 0.00 0.00 175.26 175.82 1r56 s ILE 260 N -2.39 2.74 -0.34 -1.63 1.01 -1.24 -4.80 121.20 114.55 1r56 s ILE 260 Ca 0.58 -1.96 -0.28 0.00 0.00 0.00 0.00 60.65 58.99 1r56 s ILE 260 Cb -0.10 -2.83 -0.02 0.00 0.01 0.00 0.00 42.46 39.52 1r56 s ILE 260 CO 0.24 -0.46 1.83 -0.62 0.00 0.00 0.00 174.94 175.94 1r56 s ASP 261 N 1.30 5.81 0.00 3.58 2.15 -1.26 -4.61 116.67 123.64 1r56 s ASP 261 Ca 0.04 1.27 0.11 0.00 0.43 0.00 0.00 52.55 54.40 1r56 s ASP 261 Cb -0.21 -2.52 0.21 0.00 -0.30 0.00 0.00 42.92 40.10 1r56 s ASP 261 CO -0.05 -1.78 1.07 0.18 -0.17 0.00 0.00 175.17 174.42 1r56 n LEU 262 N 10.59 2.48 0.32 -1.34 4.77 -1.26 -4.68 117.00 127.87 1r56 n LEU 262 Ca 0.23 -1.57 0.20 0.00 -0.03 0.00 0.00 56.01 54.85 1r56 n LEU 262 Cb 0.47 -0.13 1.06 0.00 -2.33 0.00 0.00 43.42 42.49 1r56 n LEU 262 CO 0.69 0.57 1.16 0.77 -1.33 0.00 0.00 177.39 179.25 1r56 h SER 263 N 2.06 0.00 0.30 -1.43 4.64 -1.76 0.25 113.55 117.62 1r56 h SER 263 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1r56 h SER 263 Cb 0.61 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.70 1r56 h SER 263 CO 0.00 0.00 0.00 -2.67 -0.87 0.00 0.00 176.83 173.29 1r56 n TRP 264 N -3.22 0.00 -3.97 4.77 4.27 -1.26 -1.99 117.44 116.04 1r56 n TRP 264 Ca -0.02 0.00 -0.31 0.00 -3.89 0.00 0.00 57.50 53.28 1r56 n TRP 264 Cb 0.17 -0.32 -0.15 0.00 -1.36 0.00 0.00 31.31 29.65 1r56 n TRP 264 CO 0.00 0.00 0.00 -1.58 -2.29 0.00 0.00 177.69 173.82 1r56 s HIS 265 N -2.64 3.38 -1.74 -2.67 5.04 0.08 -4.76 115.29 111.97 1r56 s HIS 265 Ca 0.12 -2.98 -0.01 0.00 -1.54 0.00 0.00 55.06 50.66 1r56 s HIS 265 Cb 0.09 -2.78 0.00 0.00 0.04 0.00 0.00 32.58 29.93 1r56 s HIS 265 CO 0.22 -0.87 0.15 1.63 -2.34 0.00 0.00 174.74 173.53 1r56 n LYS 266 N 3.86 -2.46 -2.78 2.88 5.02 -1.26 -1.70 118.16 121.72 1r56 n LYS 266 Ca 0.04 0.99 -0.18 0.00 -2.02 0.00 0.00 58.31 57.14 1r56 n LYS 266 Cb 0.38 -5.71 0.00 0.00 -0.02 0.00 0.00 35.03 29.68 1r56 n LYS 266 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1r56 n GLY 267 N -1.14 -0.50 3.76 0.72 0.00 -0.84 -4.88 105.19 102.30 1r56 n GLY 267 Ca -0.22 0.05 -0.41 0.00 0.00 0.00 0.00 46.02 45.44 1r56 n GLY 267 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1r56 s LEU 268 N -6.10 4.34 -0.36 0.99 2.96 -0.69 -4.84 118.68 114.98 1r56 s LEU 268 Ca 0.16 2.99 -0.10 0.00 -0.22 0.00 0.00 54.13 56.96 1r56 s LEU 268 Cb -0.08 -3.65 0.03 0.00 0.50 0.00 0.00 46.19 42.99 1r56 s LEU 268 CO 0.19 -0.91 0.18 -1.10 -1.32 0.00 0.00 176.35 173.40 1r56 s GLN 269 N -0.98 2.84 -0.00 1.98 -1.52 -1.26 -2.17 119.66 118.55 1r56 s GLN 269 Ca 0.60 -1.06 0.01 0.00 -1.95 0.00 0.00 55.36 52.96 1r56 s GLN 269 Cb -0.48 -3.66 0.01 0.00 -0.22 0.00 0.00 33.01 28.66 1r56 s GLN 269 CO 0.53 -0.66 0.70 -1.71 -0.25 0.00 0.00 175.29 173.90 1r56 n ASN 270 N 4.96 0.22 -4.66 5.90 5.15 -1.26 -4.70 115.26 120.87 1r56 n ASN 270 Ca -0.12 -1.44 -0.23 0.00 -0.60 0.00 0.00 54.58 52.19 1r56 n ASN 270 Cb 0.46 -0.07 -0.07 0.00 -0.53 0.00 0.00 39.78 39.57 1r56 n ASN 270 CO 0.00 0.00 0.00 0.42 1.40 0.00 0.00 177.26 179.08 1r56 s THR 271 N -0.17 3.21 0.00 -0.44 -4.23 -1.26 -3.45 115.64 109.30 1r56 s THR 271 Ca 0.01 -1.87 0.00 0.00 -1.18 0.00 0.00 61.69 58.65 1r56 s THR 271 Cb 0.01 -2.87 0.00 0.00 1.34 0.00 0.00 72.50 70.98 1r56 s THR 271 CO 0.00 -0.30 0.00 0.61 -0.54 0.00 0.00 174.62 174.39 1r56 n GLY 272 N -0.97 2.88 0.44 3.99 0.00 -1.26 -0.92 105.19 109.35 1r56 n GLY 272 Ca -0.05 -0.02 0.38 0.00 0.00 0.00 0.00 46.02 46.33 1r56 n GLY 272 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1r56 h LYS 273 N 0.00 0.01 -0.01 1.61 1.63 -1.99 0.60 116.57 118.42 1r56 h LYS 273 Ca 0.00 -0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 1r56 h LYS 273 Cb 0.00 -0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.63 1r56 h LYS 273 CO 0.00 0.01 -0.37 0.09 -3.45 0.00 0.00 179.45 175.72 1r56 n ASN 274 N -4.86 1.24 -4.65 4.20 4.13 -0.10 -4.98 115.26 110.25 1r56 n ASN 274 Ca 0.40 -1.00 -0.48 0.00 1.68 0.00 0.00 54.58 55.17 1r56 n ASN 274 Cb 1.50 0.28 -0.05 0.00 -1.54 0.00 0.00 39.78 39.97 1r56 n ASN 274 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1r56 n ALA 275 N -0.60 1.02 0.00 5.41 0.00 0.20 -4.33 120.51 122.20 1r56 n ALA 275 Ca 0.10 0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.73 1r56 n ALA 275 Cb 0.38 -2.56 0.00 0.00 0.00 0.00 0.00 19.45 17.27 1r56 n ALA 275 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1r56 n GLU 276 N 7.09 0.25 -4.14 0.00 1.02 -1.26 -4.97 120.64 118.63 1r56 n GLU 276 Ca 0.25 0.00 -0.34 0.00 -0.02 0.00 0.00 57.16 57.05 1r56 n GLU 276 Cb 0.31 -0.94 -0.14 0.00 -0.02 0.00 0.00 31.44 30.64 1r56 n GLU 276 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1r56 s VAL 277 N -1.88 3.21 0.31 2.62 1.01 -1.26 -5.12 120.40 119.28 1r56 s VAL 277 Ca 0.00 -0.56 0.10 0.00 0.00 0.00 0.00 61.98 61.52 1r56 s VAL 277 Cb 0.00 -2.42 -0.05 0.00 0.00 0.00 0.00 36.38 33.90 1r56 s VAL 277 CO 0.00 0.46 -0.07 -0.36 0.00 0.00 0.00 175.10 175.13 1r56 s PHE 278 N 1.15 2.48 -0.38 5.22 0.40 -1.26 -3.62 117.98 121.97 1r56 s PHE 278 Ca 0.02 -0.37 -0.09 0.00 -0.60 0.00 0.00 56.93 55.89 1r56 s PHE 278 Cb -0.14 -1.26 0.05 0.00 0.51 0.00 0.00 43.02 42.17 1r56 s PHE 278 CO -0.02 0.60 0.19 0.00 0.70 0.00 0.00 175.22 176.69 1r56 s ALA 279 N -2.49 3.20 0.11 5.36 0.00 0.24 -4.94 121.76 123.23 1r56 s ALA 279 Ca 0.32 -1.89 -0.31 0.00 0.00 0.00 0.00 51.96 50.08 1r56 s ALA 279 Cb -0.03 -2.50 -0.08 0.00 0.00 0.00 0.00 23.12 20.51 1r56 s ALA 279 CO 0.18 -1.47 1.48 -2.14 0.00 0.00 0.00 175.76 173.80 1r56 s PRO 280 N 1.45 4.27 -0.17 0.00 0.02 -1.26 -1.22 135.00 138.10 1r56 s PRO 280 Ca 0.01 2.18 -0.11 0.00 0.02 0.00 0.00 61.00 63.10 1r56 s PRO 280 Cb -0.21 -3.31 -0.05 0.00 0.02 0.00 0.00 34.50 30.95 1r56 s PRO 280 CO 0.04 -0.54 0.19 -0.65 -0.33 0.00 0.00 177.00 175.71 1r56 s GLN 281 N 1.50 4.09 0.07 5.54 -1.52 0.11 -4.93 119.66 124.52 1r56 s GLN 281 Ca 0.67 -0.08 -0.03 0.00 -1.95 0.00 0.00 55.36 53.97 1r56 s GLN 281 Cb -0.38 -3.38 -0.28 0.00 -0.22 0.00 0.00 33.01 28.75 1r56 s GLN 281 CO 0.30 0.37 1.13 0.77 -0.25 0.00 0.00 175.29 177.61 1r56 h SER 282 N 6.35 0.38 -4.93 5.90 0.02 -1.95 -3.39 113.55 115.94 1r56 h SER 282 Ca -0.43 -0.42 -0.00 0.00 -0.84 0.00 0.00 61.79 60.09 1r56 h SER 282 Cb 1.17 -0.12 -0.14 0.00 0.14 0.00 0.00 62.40 63.45 1r56 h SER 282 CO 0.73 1.33 0.26 1.51 -1.14 0.00 0.00 176.83 179.51 1r56 s ASP 283 N -7.09 -0.55 0.87 3.07 1.47 -1.26 -4.83 116.67 108.35 1r56 s ASP 283 Ca -0.04 0.10 0.00 0.00 1.18 0.00 0.00 52.55 53.79 1r56 s ASP 283 Cb 0.07 0.55 0.00 0.00 -0.34 0.00 0.00 42.92 43.21 1r56 s ASP 283 CO 0.88 -0.86 0.00 -0.81 0.68 0.00 0.00 175.17 175.06 1r56 n PRO 284 N -0.17 0.08 -3.75 2.11 -0.04 -1.26 -5.12 135.00 126.85 1r56 n PRO 284 Ca -0.16 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.17 1r56 n PRO 284 Cb 0.63 0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 33.99 1r56 n PRO 284 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1r56 s ASN 285 N -1.03 -0.34 0.48 3.54 4.22 -1.26 -4.70 114.94 115.84 1r56 s ASN 285 Ca 0.00 0.59 -0.23 0.00 -2.14 0.00 0.00 52.86 51.09 1r56 s ASN 285 Cb 0.00 0.65 -0.07 0.00 1.28 0.00 0.00 41.25 43.11 1r56 s ASN 285 CO 0.00 -0.19 1.19 -0.83 -2.04 0.00 0.00 177.10 175.23 1r56 s GLY 286 N -0.13 2.79 -0.15 0.45 0.00 -1.26 -4.86 107.32 104.17 1r56 s GLY 286 Ca -0.03 0.99 -0.00 0.00 0.00 0.00 0.00 44.72 45.68 1r56 s GLY 286 CO 0.01 1.46 -0.07 -2.27 0.00 0.00 0.00 173.10 172.22 1r56 s LEU 287 N -3.13 1.54 -0.10 0.66 2.96 -1.26 -0.46 118.68 118.90 1r56 s LEU 287 Ca 0.65 -0.55 0.03 0.00 -0.22 0.00 0.00 54.13 54.04 1r56 s LEU 287 Cb -0.30 -0.95 -0.01 0.00 0.50 0.00 0.00 46.19 45.43 1r56 s LEU 287 CO 0.36 -0.14 -0.19 -0.63 -1.32 0.00 0.00 176.35 174.43 1r56 s ILE 288 N 1.62 2.56 0.08 6.68 1.09 0.17 -4.98 121.20 128.42 1r56 s ILE 288 Ca 0.02 -0.86 0.04 0.00 -1.10 0.00 0.00 60.65 58.76 1r56 s ILE 288 Cb -0.14 -2.01 -0.03 0.00 -1.06 0.00 0.00 42.46 39.21 1r56 s ILE 288 CO -0.08 0.55 -0.12 -0.54 -0.10 0.00 0.00 174.94 174.65 1r56 s LYS 289 N 0.12 0.80 -0.12 2.79 1.02 -1.26 -0.55 119.74 122.54 1r56 s LYS 289 Ca -0.09 -1.02 -0.29 0.00 0.02 0.00 0.00 55.97 54.58 1r56 s LYS 289 Cb -0.16 -0.64 0.08 0.00 -0.52 0.00 0.00 37.83 36.59 1r56 s LYS 289 CO 0.06 0.12 0.73 0.00 -0.92 0.00 0.00 175.35 175.34 1r56 s THR 291 N -0.77 2.95 -0.17 0.00 2.01 -1.26 -1.39 115.64 117.01 1r56 s THR 291 Ca -0.07 -0.67 -0.00 0.00 0.31 0.00 0.00 61.69 61.25 1r56 s THR 291 Cb -0.01 -2.27 0.00 0.00 0.01 0.00 0.00 72.50 70.23 1r56 s THR 291 CO 0.07 0.50 -0.15 -0.69 -0.69 0.00 0.00 174.62 173.66 1r56 s VAL 292 N 0.78 2.62 0.00 3.82 1.01 0.11 -4.98 120.40 123.77 1r56 s VAL 292 Ca -0.05 -0.77 0.00 0.00 0.00 0.00 0.00 61.98 61.16 1r56 s VAL 292 Cb -0.15 -2.12 0.00 0.00 0.00 0.00 0.00 36.38 34.10 1r56 s VAL 292 CO 0.01 0.50 0.00 0.61 0.00 0.00 0.00 175.10 176.22 1r56 n GLY 293 N 4.34 3.17 3.87 4.51 0.00 -1.26 -2.02 105.19 117.81 1r56 n GLY 293 Ca -0.19 -2.16 -0.35 0.00 0.00 0.00 0.00 46.02 43.31 1r56 n GLY 293 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1r56 s ARG 294 N -1.77 3.62 0.00 1.61 0.52 -1.26 -5.03 118.95 116.65 1r56 s ARG 294 Ca 0.00 0.01 0.02 0.00 -0.52 0.00 0.00 55.73 55.24 1r56 s ARG 294 Cb 0.00 -3.11 0.10 0.00 0.52 0.00 0.00 34.95 32.46 1r56 s ARG 294 CO 0.00 0.67 0.59 0.43 0.02 0.00 0.00 175.30 177.01