#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 4.23 -0.06 0.00 1.01 -1.26 -4.86 120.40 119.46 1r56 s VAL 3 Ca 0.00 1.32 0.06 0.00 0.00 0.00 0.00 61.98 63.36 1r56 s VAL 3 Cb 0.00 -4.45 -0.24 0.00 0.00 0.00 0.00 36.38 31.69 1r56 s VAL 3 CO 0.00 -0.78 0.61 0.11 0.00 0.00 0.00 175.10 175.04 1r56 h LYS 4 N 9.14 0.09 -2.76 2.72 1.57 -2.06 -3.48 116.57 121.79 1r56 h LYS 4 Ca -0.23 -0.16 -0.11 0.00 -1.87 0.00 0.00 60.65 58.28 1r56 h LYS 4 Cb 1.07 0.06 -0.22 0.00 0.08 0.00 0.00 32.23 33.22 1r56 h LYS 4 CO 1.09 0.75 -0.20 0.00 -0.57 0.00 0.00 179.45 180.51 1r56 s ALA 5 N -2.59 -1.02 -0.14 3.86 0.00 -1.26 -5.17 121.76 115.44 1r56 s ALA 5 Ca -0.10 0.89 -0.11 0.00 0.00 0.00 0.00 51.96 52.64 1r56 s ALA 5 Cb 0.08 -0.35 0.04 0.00 0.00 0.00 0.00 23.12 22.89 1r56 s ALA 5 CO 0.81 -0.24 0.37 0.00 0.00 0.00 0.00 175.76 176.70 1r56 s ALA 6 N -0.47 -0.91 0.01 0.00 0.00 -1.26 -5.17 121.76 113.96 1r56 s ALA 6 Ca -0.06 1.14 -0.12 0.00 0.00 0.00 0.00 51.96 52.92 1r56 s ALA 6 Cb -0.03 -0.67 0.01 0.00 0.00 0.00 0.00 23.12 22.42 1r56 s ALA 6 CO 0.03 -0.19 0.25 1.03 0.00 0.00 0.00 175.76 176.87 1r56 s ARG 7 N 0.54 0.66 -0.06 0.00 0.52 -1.26 -4.60 118.95 114.75 1r56 s ARG 7 Ca -0.03 -0.38 -0.29 0.00 -0.52 0.00 0.00 55.73 54.50 1r56 s ARG 7 Cb -0.04 0.28 0.09 0.00 0.52 0.00 0.00 34.95 35.80 1r56 s ARG 7 CO -0.03 -0.18 0.81 1.52 0.02 0.00 0.00 175.30 177.44 1r56 s TYR 8 N -1.80 -0.50 -1.47 -0.53 1.13 -1.00 -4.92 117.35 108.25 1r56 s TYR 8 Ca -0.11 0.72 0.00 0.00 -1.41 0.00 0.00 57.07 56.27 1r56 s TYR 8 Cb -0.04 0.46 0.00 0.00 -1.10 0.00 0.00 41.96 41.28 1r56 s TYR 8 CO 0.01 -0.54 0.00 0.41 -2.51 0.00 0.00 175.55 172.92 1r56 n GLY 9 N 0.51 -0.73 3.35 5.49 0.00 -1.25 -0.71 105.19 111.85 1r56 n GLY 9 Ca -0.14 -0.39 -0.33 0.00 0.00 0.00 0.00 46.02 45.16 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 -0.63 3.18 0.24 1.61 2.47 -0.87 -4.89 119.74 120.84 1r56 s LYS 10 Ca 0.00 -0.74 0.09 0.00 -1.56 0.00 0.00 55.97 53.77 1r56 s LYS 10 Cb 0.00 -2.51 -0.04 0.00 -1.46 0.00 0.00 37.83 33.81 1r56 s LYS 10 CO 0.00 0.26 -0.03 0.34 0.16 0.00 0.00 175.35 176.08 1r56 s ASP 11 N 0.20 4.45 -1.38 1.43 -1.08 -1.26 -1.22 116.67 117.80 1r56 s ASP 11 Ca -0.10 -0.63 -0.09 0.00 -0.52 0.00 0.00 52.55 51.21 1r56 s ASP 11 Cb -0.16 -0.81 0.02 0.00 -1.46 0.00 0.00 42.92 40.52 1r56 s ASP 11 CO 0.06 0.03 1.13 0.59 0.52 0.00 0.00 175.17 177.50 1r56 n ASN 12 N -0.63 -5.81 -4.55 -0.34 3.02 -1.16 -4.95 115.26 100.84 1r56 n ASN 12 Ca -0.07 -0.59 -0.43 0.00 -0.03 0.00 0.00 54.58 53.45 1r56 n ASN 12 Cb 0.58 -4.81 -0.05 0.00 -0.61 0.00 0.00 39.78 34.89 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 -3.32 4.65 -0.07 2.41 1.01 -0.55 -4.89 120.40 119.64 1r56 s VAL 13 Ca 0.57 0.53 -0.24 0.00 0.00 0.00 0.00 61.98 62.83 1r56 s VAL 13 Cb -0.26 -4.31 -0.03 0.00 0.00 0.00 0.00 36.38 31.78 1r56 s VAL 13 CO 0.75 -0.67 0.73 -0.13 0.00 0.00 0.00 175.10 175.78 1r56 s ARG 14 N 3.28 4.43 -0.01 2.72 0.52 -1.26 -0.87 118.95 127.77 1r56 s ARG 14 Ca 0.31 0.93 0.05 0.00 -0.52 0.00 0.00 55.73 56.50 1r56 s ARG 14 Cb -0.12 -3.46 -0.01 0.00 0.52 0.00 0.00 34.95 31.87 1r56 s ARG 14 CO 0.22 0.01 -0.16 0.08 0.02 0.00 0.00 175.30 175.47 1r56 s VAL 15 N 0.97 1.26 -0.03 3.52 1.01 0.95 -4.98 120.40 123.09 1r56 s VAL 15 Ca 0.39 -0.70 0.04 0.00 0.00 0.00 0.00 61.98 61.71 1r56 s VAL 15 Cb -0.18 -1.05 -0.00 0.00 0.00 0.00 0.00 36.38 35.15 1r56 s VAL 15 CO 0.18 0.34 -0.15 -0.47 0.00 0.00 0.00 175.10 175.00 1r56 s TYR 16 N -0.40 1.47 -0.00 5.22 6.14 -1.26 -0.71 117.35 127.80 1r56 s TYR 16 Ca 0.06 -0.37 0.03 0.00 0.64 0.00 0.00 57.07 57.43 1r56 s TYR 16 Cb -0.06 -0.98 -0.01 0.00 0.42 0.00 0.00 41.96 41.33 1r56 s TYR 16 CO -0.00 -0.11 -0.09 0.21 0.64 0.00 0.00 175.55 176.20 1r56 s LYS 17 N -0.05 0.73 -0.07 4.97 2.20 0.06 -4.99 119.74 122.59 1r56 s LYS 17 Ca -0.01 -0.34 0.01 0.00 -0.36 0.00 0.00 55.97 55.27 1r56 s LYS 17 Cb -0.09 -0.70 -0.03 0.00 -1.51 0.00 0.00 37.83 35.50 1r56 s LYS 17 CO 0.01 0.19 -0.09 0.54 -0.36 0.00 0.00 175.35 175.64 1r56 s VAL 18 N -0.26 3.53 -0.18 4.02 0.11 -1.26 -0.57 120.40 125.80 1r56 s VAL 18 Ca 0.03 -0.54 -0.04 0.00 -2.93 0.00 0.00 61.98 58.49 1r56 s VAL 18 Cb -0.04 -2.43 -0.03 0.00 -1.53 0.00 0.00 36.38 32.36 1r56 s VAL 18 CO -0.00 0.59 -0.02 -2.28 -3.33 0.00 0.00 175.10 170.06 1r56 s HIS 19 N -0.72 3.03 -0.27 1.54 2.46 0.10 -4.96 115.29 116.47 1r56 s HIS 19 Ca 0.11 -0.39 -0.06 0.00 0.47 0.00 0.00 55.06 55.19 1r56 s HIS 19 Cb -0.11 -2.02 0.00 0.00 -0.13 0.00 0.00 32.58 30.32 1r56 s HIS 19 CO 0.01 -0.14 0.04 0.15 -2.47 0.00 0.00 174.74 172.33 1r56 s LYS 20 N 0.69 3.19 -0.21 2.88 1.02 -1.26 -0.33 119.74 125.73 1r56 s LYS 20 Ca -0.01 -0.78 -0.29 0.00 0.02 0.00 0.00 55.97 54.91 1r56 s LYS 20 Cb -0.14 -3.25 -0.01 0.00 -0.52 0.00 0.00 37.83 33.91 1r56 s LYS 20 CO 0.02 -0.36 1.24 0.34 -0.92 0.00 0.00 175.35 175.67 1r56 s ASP 21 N 1.49 6.90 0.58 2.83 2.15 0.13 -4.90 116.67 125.84 1r56 s ASP 21 Ca 0.03 1.52 0.36 0.00 0.43 0.00 0.00 52.55 54.89 1r56 s ASP 21 Cb -0.16 -2.54 1.59 0.00 -0.30 0.00 0.00 42.92 41.51 1r56 s ASP 21 CO 0.01 -0.83 2.07 1.05 -0.17 0.00 0.00 175.17 177.30 1r56 h GLU 22 N 8.35 0.00 0.00 4.34 4.11 -1.96 -0.23 114.58 129.19 1r56 h GLU 22 Ca -0.25 0.00 -0.11 0.00 0.07 0.00 0.00 59.36 59.07 1r56 h GLU 22 Cb 1.09 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.33 1r56 h GLU 22 CO 0.99 0.00 -0.78 0.87 0.07 0.00 0.00 179.01 180.15 1r56 h LYS 23 N 0.00 0.00 0.00 1.06 6.56 -1.98 -3.41 116.57 118.79 1r56 h LYS 23 Ca 0.00 0.00 -0.02 0.00 -1.06 0.00 0.00 60.65 59.57 1r56 h LYS 23 Cb 0.40 0.00 -0.00 0.00 -0.57 0.00 0.00 32.23 32.06 1r56 h LYS 23 CO 0.00 0.57 -1.21 0.25 -2.06 0.00 0.00 179.45 177.00 1r56 n THR 24 N -4.54 0.58 -0.60 -0.16 -2.24 -1.22 -4.97 114.28 101.13 1r56 n THR 24 Ca -0.19 -0.56 0.00 0.00 -2.27 0.00 0.00 64.05 61.04 1r56 n THR 24 Cb 0.46 -0.32 0.00 0.00 -2.10 0.00 0.00 70.33 68.37 1r56 n THR 24 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1r56 n GLY 25 N 1.22 1.19 3.72 3.38 0.00 -0.10 -5.02 105.19 109.57 1r56 n GLY 25 Ca -0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.58 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 -3.36 3.32 -0.03 1.61 1.01 -1.26 -4.72 120.40 116.98 1r56 s VAL 26 Ca 0.00 0.98 0.00 0.00 0.00 0.00 0.00 61.98 62.96 1r56 s VAL 26 Cb 0.00 -3.63 -0.04 0.00 0.00 0.00 0.00 36.38 32.72 1r56 s VAL 26 CO 0.00 0.09 0.01 -1.10 0.00 0.00 0.00 175.10 174.10 1r56 s GLN 27 N 0.85 2.86 -0.06 2.72 -0.21 -0.16 -0.70 119.66 124.96 1r56 s GLN 27 Ca 0.63 -0.54 0.02 0.00 0.02 0.00 0.00 55.36 55.48 1r56 s GLN 27 Cb -0.36 -2.72 0.01 0.00 1.00 0.00 0.00 33.01 30.94 1r56 s GLN 27 CO 0.32 0.65 -0.11 0.99 -2.12 0.00 0.00 175.29 175.01 1r56 s THR 28 N -1.03 1.07 0.05 -0.19 2.01 0.56 -4.63 115.64 113.48 1r56 s THR 28 Ca 0.18 -0.44 0.05 0.00 0.31 0.00 0.00 61.69 61.79 1r56 s THR 28 Cb -0.11 -0.98 -0.04 0.00 0.01 0.00 0.00 72.50 71.38 1r56 s THR 28 CO 0.08 0.34 -0.07 0.68 -0.69 0.00 0.00 174.62 174.96 1r56 s VAL 29 N 0.68 3.60 -0.05 3.82 -7.23 -1.26 0.02 120.40 119.97 1r56 s VAL 29 Ca -0.14 -0.99 0.02 0.00 -1.81 0.00 0.00 61.98 59.06 1r56 s VAL 29 Cb -0.16 -2.63 0.01 0.00 0.56 0.00 0.00 36.38 34.16 1r56 s VAL 29 CO 0.03 0.25 -0.11 -0.31 -0.31 0.00 0.00 175.10 174.65 1r56 s TYR 30 N -1.13 1.27 -0.04 2.82 2.02 0.27 -4.84 117.35 117.73 1r56 s TYR 30 Ca 0.20 -0.43 0.02 0.00 -0.37 0.00 0.00 57.07 56.49 1r56 s TYR 30 Cb -0.11 -0.94 0.01 0.00 -0.40 0.00 0.00 41.96 40.52 1r56 s TYR 30 CO 0.12 -0.23 -0.07 -2.00 -1.57 0.00 0.00 175.55 171.80 1r56 s GLU 31 N 0.60 0.94 0.07 -0.62 2.12 -1.26 -0.76 118.70 119.79 1r56 s GLU 31 Ca -0.12 -0.22 -0.06 0.00 0.36 0.00 0.00 54.97 54.93 1r56 s GLU 31 Cb -0.14 -0.88 -0.01 0.00 0.26 0.00 0.00 34.13 33.35 1r56 s GLU 31 CO 0.03 0.02 0.12 0.00 -0.54 0.00 0.00 175.26 174.89 1r56 s MET 32 N 0.52 0.76 -0.22 4.30 0.23 0.11 -1.67 119.30 123.33 1r56 s MET 32 Ca -0.08 -1.01 -0.03 0.00 -1.03 0.00 0.00 55.69 53.55 1r56 s MET 32 Cb -0.11 0.30 0.00 0.00 -1.53 0.00 0.00 34.83 33.49 1r56 s MET 32 CO 0.01 -0.21 -0.07 0.99 -2.03 0.00 0.00 175.02 173.70 1r56 s THR 33 N -3.76 3.04 -0.08 3.16 2.01 -0.24 -0.04 115.64 119.72 1r56 s THR 33 Ca 0.05 -0.69 -0.01 0.00 0.31 0.00 0.00 61.69 61.34 1r56 s THR 33 Cb 0.05 -2.41 -0.03 0.00 0.01 0.00 0.00 72.50 70.12 1r56 s THR 33 CO -0.10 0.38 -0.03 -0.69 -0.69 0.00 0.00 174.62 173.49 1r56 s VAL 34 N 1.41 4.02 -0.08 3.82 1.01 -0.05 -1.02 120.40 129.52 1r56 s VAL 34 Ca 0.04 -0.35 0.02 0.00 0.00 0.00 0.00 61.98 61.69 1r56 s VAL 34 Cb -0.15 -2.68 0.01 0.00 0.00 0.00 0.00 36.38 33.57 1r56 s VAL 34 CO -0.05 0.59 -0.12 0.00 0.00 0.00 0.00 175.10 175.52 1r56 s VAL 36 N 0.88 1.90 -0.11 0.00 1.01 -0.36 -0.92 120.40 122.80 1r56 s VAL 36 Ca -0.10 -0.85 0.01 0.00 0.00 0.00 0.00 61.98 61.04 1r56 s VAL 36 Cb -0.15 -1.74 -0.01 0.00 0.00 0.00 0.00 36.38 34.47 1r56 s VAL 36 CO 0.01 0.50 -0.15 -0.76 0.00 0.00 0.00 175.10 174.70 1r56 s LEU 37 N 1.35 2.61 0.05 3.92 1.43 -0.08 -2.05 118.68 125.91 1r56 s LEU 37 Ca 0.05 -0.34 0.03 0.00 -1.03 0.00 0.00 54.13 52.84 1r56 s LEU 37 Cb -0.13 -1.56 -0.04 0.00 0.03 0.00 0.00 46.19 44.49 1r56 s LEU 37 CO -0.12 0.20 -0.00 -0.76 0.23 0.00 0.00 176.35 175.90 1r56 s LEU 38 N 0.13 3.48 0.16 1.79 1.43 0.12 -0.79 118.68 125.00 1r56 s LEU 38 Ca -0.08 -0.10 0.07 0.00 -1.03 0.00 0.00 54.13 52.99 1r56 s LEU 38 Cb -0.15 -2.11 -0.04 0.00 0.03 0.00 0.00 46.19 43.92 1r56 s LEU 38 CO 0.05 0.22 -0.14 -1.61 0.23 0.00 0.00 176.35 175.11 1r56 s GLU 39 N -1.95 1.18 0.00 1.70 2.02 0.03 -2.38 118.70 119.30 1r56 s GLU 39 Ca 0.23 -1.44 0.00 0.00 0.02 0.00 0.00 54.97 53.78 1r56 s GLU 39 Cb -0.12 -0.97 0.00 0.00 0.10 0.00 0.00 34.13 33.14 1r56 s GLU 39 CO 0.14 0.17 0.00 0.41 0.02 0.00 0.00 175.26 176.00 1r56 n GLY 40 N -0.00 -0.59 3.26 -1.39 0.00 -1.26 -1.41 105.19 103.80 1r56 n GLY 40 Ca -0.11 -0.62 -0.44 0.00 0.00 0.00 0.00 46.02 44.85 1r56 n GLY 40 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1r56 n GLU 41 N 0.00 3.51 -0.09 1.61 1.02 0.76 -4.54 120.64 122.90 1r56 n GLU 41 Ca 0.00 -3.83 0.02 0.00 -0.02 0.00 0.00 57.16 53.33 1r56 n GLU 41 Cb 0.00 -2.95 0.03 0.00 -0.02 0.00 0.00 31.44 28.51 1r56 n GLU 41 CO 0.00 0.00 0.00 0.44 1.18 0.00 0.00 177.13 178.75 1r56 n ILE 42 N 3.94 0.83 -0.34 -3.67 -5.35 -1.26 -4.81 119.36 108.69 1r56 n ILE 42 Ca 0.36 -0.92 0.04 0.00 -0.27 0.00 0.00 62.75 61.96 1r56 n ILE 42 Cb 0.40 0.44 0.19 0.00 -1.74 0.00 0.00 39.64 38.93 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 0.97 -0.00 6.28 3.07 -1.99 -2.36 114.58 120.56 1r56 h GLU 43 Ca 0.00 -0.06 0.00 0.00 -0.50 0.00 0.00 59.36 58.80 1r56 h GLU 43 Cb 0.88 -0.22 -0.00 0.00 -0.84 0.00 0.00 28.75 28.57 1r56 h GLU 43 CO 0.00 0.64 0.00 1.79 -1.40 0.00 0.00 179.01 180.04 1r56 h THR 44 N 1.00 0.38 -0.47 1.13 1.35 -1.90 0.82 112.91 115.21 1r56 h THR 44 Ca 0.43 0.00 -0.05 0.00 -0.55 0.00 0.00 66.41 66.25 1r56 h THR 44 Cb 0.31 1.00 -0.02 0.00 -1.73 0.00 0.00 68.15 67.70 1r56 h THR 44 CO -0.22 0.00 0.10 0.77 -0.25 0.00 0.00 175.52 175.93 1r56 h SER 45 N 0.00 0.67 0.00 5.36 4.64 -1.45 0.22 113.55 122.99 1r56 h SER 45 Ca 0.00 -0.11 -0.03 0.00 -0.47 0.00 0.00 61.79 61.18 1r56 h SER 45 Cb 0.00 -0.17 -0.00 0.00 -0.31 0.00 0.00 62.40 61.92 1r56 h SER 45 CO -0.00 0.67 -0.14 1.88 -0.87 0.00 0.00 176.83 178.37 1r56 h TYR 46 N 0.69 0.00 -0.17 4.77 -1.99 -1.04 -2.64 116.97 116.60 1r56 h TYR 46 Ca 0.16 0.00 -0.19 0.00 2.00 0.00 0.00 58.73 60.70 1r56 h TYR 46 Cb 0.27 0.00 -0.00 0.00 2.00 0.00 0.00 36.73 39.00 1r56 h TYR 46 CO 0.01 1.02 -0.65 1.79 -0.00 0.00 0.00 178.16 180.33 1r56 h THR 47 N -1.00 1.31 -0.03 -2.88 1.35 -1.14 -3.37 112.91 107.16 1r56 h THR 47 Ca -0.04 -1.91 0.00 0.00 -0.55 0.00 0.00 66.41 63.91 1r56 h THR 47 Cb 1.00 1.88 0.00 0.00 -1.73 0.00 0.00 68.15 69.30 1r56 h THR 47 CO -0.02 0.60 0.00 0.29 -0.25 0.00 0.00 175.52 176.13 1r56 n LYS 48 N -3.93 2.17 -2.90 4.72 5.02 0.73 -4.99 118.16 118.99 1r56 n LYS 48 Ca -0.05 -1.36 -0.20 0.00 -2.02 0.00 0.00 58.31 54.69 1r56 n LYS 48 Cb 0.67 -1.03 0.01 0.00 -0.02 0.00 0.00 35.03 34.66 1r56 n LYS 48 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1r56 n ALA 49 N -0.28 -0.91 -2.58 7.82 0.00 -0.92 -4.91 120.51 118.74 1r56 n ALA 49 Ca 0.01 0.16 -0.43 0.00 0.00 0.00 0.00 53.44 53.18 1r56 n ALA 49 Cb 0.22 -2.71 -0.03 0.00 0.00 0.00 0.00 19.45 16.93 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 -2.45 6.56 0.00 0.00 2.15 -1.02 -4.88 116.67 117.03 1r56 s ASP 50 Ca 0.22 0.28 0.28 0.00 0.43 0.00 0.00 52.55 53.75 1r56 s ASP 50 Cb -0.11 -2.48 1.01 0.00 -0.30 0.00 0.00 42.92 41.05 1r56 s ASP 50 CO 0.27 -1.07 1.72 0.59 -0.17 0.00 0.00 175.17 176.51 1r56 n ASN 51 N 7.27 0.99 0.29 -0.34 3.02 -1.26 -3.46 115.26 121.77 1r56 n ASN 51 Ca 0.08 -1.01 0.15 0.00 -0.03 0.00 0.00 54.58 53.77 1r56 n ASN 51 Cb 0.49 0.04 0.90 0.00 -0.61 0.00 0.00 39.78 40.60 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 1.35 0.00 0.32 6.41 4.64 -1.99 -1.54 113.55 122.74 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 0.44 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.53 1r56 h SER 52 CO 0.00 0.02 -0.46 1.33 -0.87 0.00 0.00 176.83 176.84 1r56 n VAL 53 N -3.80 0.00 -2.92 0.95 0.24 -1.26 -4.88 118.33 106.67 1r56 n VAL 53 Ca -0.03 -0.06 -0.42 0.00 -2.04 0.00 0.00 64.34 61.79 1r56 n VAL 53 Cb 0.10 0.44 -0.05 0.00 -1.47 0.00 0.00 33.84 32.86 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 -2.79 4.77 -0.31 1.34 -1.09 -0.58 -4.94 121.20 117.60 1r56 s ILE 54 Ca 0.16 1.24 -0.29 0.00 -2.23 0.00 0.00 60.65 59.53 1r56 s ILE 54 Cb 0.18 -4.17 0.01 0.00 -1.58 0.00 0.00 42.46 36.90 1r56 s ILE 54 CO 0.65 -0.26 1.23 -0.69 -1.23 0.00 0.00 174.94 174.63 1r56 s VAL 55 N 3.01 4.25 0.50 2.92 1.01 -1.26 -4.98 120.40 125.85 1r56 s VAL 55 Ca 0.33 1.42 -0.22 0.00 0.00 0.00 0.00 61.98 63.52 1r56 s VAL 55 Cb -0.14 -4.24 -0.08 0.00 0.00 0.00 0.00 36.38 31.91 1r56 s VAL 55 CO 0.13 -0.49 0.96 0.00 0.00 0.00 0.00 175.10 175.70 1r56 n ALA 56 N 7.38 0.11 0.21 5.51 0.00 -1.26 -4.85 120.51 127.62 1r56 n ALA 56 Ca 0.14 0.13 0.05 0.00 0.00 0.00 0.00 53.44 53.76 1r56 n ALA 56 Cb 0.47 -2.08 0.46 0.00 0.00 0.00 0.00 19.45 18.30 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 1.09 1.13 -0.62 0.00 1.35 -1.94 -1.51 112.91 112.41 1r56 h THR 57 Ca -0.46 -0.91 -0.04 0.00 -0.55 0.00 0.00 66.41 64.46 1r56 h THR 57 Cb 1.35 1.50 -0.03 0.00 -1.73 0.00 0.00 68.15 69.24 1r56 h THR 57 CO 0.54 0.26 0.25 -0.78 -0.25 0.00 0.00 175.52 175.53 1r56 h ASP 58 N 0.00 0.84 0.21 5.36 3.58 -1.95 -0.58 116.42 123.87 1r56 h ASP 58 Ca -0.00 -0.11 -0.13 0.00 0.42 0.00 0.00 57.03 57.21 1r56 h ASP 58 Cb 0.48 -0.22 -0.01 0.00 1.72 0.00 0.00 39.33 41.30 1r56 h ASP 58 CO 0.03 0.75 -0.48 0.28 -2.88 0.00 0.00 179.24 176.94 1r56 h SER 59 N 0.90 0.35 -0.46 2.28 0.02 -1.64 -2.01 113.55 112.98 1r56 h SER 59 Ca 0.21 -0.17 -0.01 0.00 -0.84 0.00 0.00 61.79 60.99 1r56 h SER 59 Cb 0.18 -0.10 -0.02 0.00 0.14 0.00 0.00 62.40 62.60 1r56 h SER 59 CO -0.02 0.78 0.26 0.40 -1.14 0.00 0.00 176.83 177.11 1r56 h ILE 60 N 0.26 1.16 -0.16 3.27 2.04 -0.60 0.85 117.51 124.33 1r56 h ILE 60 Ca 0.01 -0.41 0.02 0.00 1.00 0.00 0.00 64.86 65.49 1r56 h ILE 60 Cb 0.94 0.59 -0.02 0.00 -0.74 0.00 0.00 36.82 37.59 1r56 h ILE 60 CO 0.08 0.17 0.04 0.50 0.00 0.00 0.00 178.15 178.94 1r56 h LYS 61 N 0.61 0.11 -0.65 2.37 3.64 -0.97 -1.68 116.57 120.01 1r56 h LYS 61 Ca 0.16 -0.01 0.08 0.00 -1.27 0.00 0.00 60.65 59.62 1r56 h LYS 61 Cb 0.04 -0.02 -0.06 0.00 -0.41 0.00 0.00 32.23 31.77 1r56 h LYS 61 CO -0.03 0.07 0.31 -0.91 -2.27 0.00 0.00 179.45 176.62 1r56 h ASN 62 N 0.11 0.40 -0.47 4.20 2.35 -0.97 -1.18 115.58 120.02 1r56 h ASN 62 Ca 0.07 0.06 -0.01 0.00 -0.55 0.00 0.00 56.30 55.87 1r56 h ASN 62 Cb 0.06 -0.01 -0.02 0.00 0.05 0.00 0.00 38.32 38.39 1r56 h ASN 62 CO -0.09 0.24 0.27 0.74 -1.65 0.00 0.00 177.43 176.95 1r56 h THR 63 N 0.55 1.15 -0.27 2.81 2.02 -0.28 -1.42 112.91 117.48 1r56 h THR 63 Ca 0.31 -0.39 0.00 0.00 0.77 0.00 0.00 66.41 67.11 1r56 h THR 63 Cb 0.31 0.48 -0.01 0.00 -1.74 0.00 0.00 68.15 67.19 1r56 h THR 63 CO -0.25 0.17 0.17 0.40 0.37 0.00 0.00 175.52 176.38 1r56 h ILE 64 N 0.69 1.08 -0.53 3.11 2.04 -0.31 -0.87 117.51 122.72 1r56 h ILE 64 Ca 0.18 -0.18 -0.03 0.00 1.00 0.00 0.00 64.86 65.84 1r56 h ILE 64 Cb 0.02 0.72 -0.02 0.00 -0.74 0.00 0.00 36.82 36.79 1r56 h ILE 64 CO -0.03 0.08 0.23 1.88 0.00 0.00 0.00 178.15 180.31 1r56 h TYR 65 N 0.35 0.79 -0.54 1.37 0.05 -1.19 -1.83 116.97 115.97 1r56 h TYR 65 Ca 0.10 -0.05 -0.08 0.00 0.05 0.00 0.00 58.73 58.75 1r56 h TYR 65 Cb -0.02 -0.24 -0.02 0.00 1.01 0.00 0.00 36.73 37.46 1r56 h TYR 65 CO -0.05 0.64 0.03 0.82 -1.05 0.00 0.00 178.16 178.55 1r56 h ILE 66 N 0.72 1.26 -0.55 -2.88 2.04 -1.06 -1.76 117.51 115.27 1r56 h ILE 66 Ca 0.18 -1.07 -0.05 0.00 1.00 0.00 0.00 64.86 64.92 1r56 h ILE 66 Cb 0.17 0.88 -0.03 0.00 -0.74 0.00 0.00 36.82 37.10 1r56 h ILE 66 CO -0.02 0.38 0.14 0.74 0.00 0.00 0.00 178.15 179.40 1r56 h THR 67 N 0.82 1.22 0.00 -0.27 2.02 -1.06 -1.94 112.91 113.71 1r56 h THR 67 Ca 0.16 -0.80 -0.11 0.00 0.77 0.00 0.00 66.41 66.43 1r56 h THR 67 Cb 0.50 0.65 -0.02 0.00 -1.74 0.00 0.00 68.15 67.54 1r56 h THR 67 CO 0.02 0.30 -0.53 0.00 0.37 0.00 0.00 175.52 175.68 1r56 h ALA 68 N 1.35 1.00 -0.21 6.16 0.00 -1.14 -1.96 119.26 124.46 1r56 h ALA 68 Ca 0.18 -0.48 -0.18 0.00 0.00 0.00 0.00 54.91 54.42 1r56 h ALA 68 Cb 0.28 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 1r56 h ALA 68 CO -0.00 0.66 -0.60 -0.22 0.00 0.00 0.00 179.25 179.09 1r56 h LYS 69 N 0.00 0.71 -0.01 0.00 1.63 -0.78 -3.31 116.57 114.81 1r56 h LYS 69 Ca -0.01 -0.48 0.00 0.00 -0.85 0.00 0.00 60.65 59.31 1r56 h LYS 69 Cb 1.02 0.07 0.00 0.00 -0.60 0.00 0.00 32.23 32.71 1r56 h LYS 69 CO 0.07 1.10 -0.29 1.04 -3.45 0.00 0.00 179.45 177.92 1r56 n GLN 70 N -3.96 1.23 -4.15 1.90 6.02 -0.78 -4.95 117.38 112.68 1r56 n GLN 70 Ca -0.04 -0.90 -0.10 0.00 -0.01 0.00 0.00 57.00 55.95 1r56 n GLN 70 Cb 0.65 -1.48 -0.10 0.00 1.02 0.00 0.00 30.24 30.33 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 -2.39 0.47 0.34 1.08 0.01 -0.75 -5.08 114.94 108.63 1r56 s ASN 71 Ca 0.24 -1.16 -0.29 0.00 -0.71 0.00 0.00 52.86 50.94 1r56 s ASN 71 Cb 0.19 0.25 -0.11 0.00 0.41 0.00 0.00 41.25 41.99 1r56 s ASN 71 CO 0.50 -0.68 1.46 -2.84 -1.51 0.00 0.00 177.10 174.03 1r56 s PRO 72 N -4.00 4.18 0.00 -0.60 0.02 -1.26 -4.65 135.00 128.69 1r56 s PRO 72 Ca 0.21 2.46 0.24 0.00 0.02 0.00 0.00 61.00 63.93 1r56 s PRO 72 Cb 0.07 -3.02 0.27 0.00 0.02 0.00 0.00 34.50 31.85 1r56 s PRO 72 CO -0.00 -0.46 1.31 1.33 -0.33 0.00 0.00 177.00 178.84 1r56 n VAL 73 N 1.04 0.10 -4.21 3.83 0.24 -1.26 -4.46 118.33 113.61 1r56 n VAL 73 Ca 0.03 -0.54 -0.17 0.00 -2.04 0.00 0.00 64.34 61.62 1r56 n VAL 73 Cb 0.40 1.36 -0.13 0.00 -1.47 0.00 0.00 33.84 33.99 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 -1.90 0.73 0.65 3.34 -1.32 -1.26 -3.76 115.64 112.13 1r56 s THR 74 Ca 0.31 -0.80 -0.15 0.00 -1.21 0.00 0.00 61.69 59.84 1r56 s THR 74 Cb 0.21 -0.69 -0.01 0.00 -1.51 0.00 0.00 72.50 70.49 1r56 s THR 74 CO 0.30 -0.08 1.09 -2.16 -2.21 0.00 0.00 174.62 171.57 1r56 s PRO 75 N -0.98 2.93 0.57 7.08 0.04 -1.26 -4.83 135.00 138.55 1r56 s PRO 75 Ca -0.02 1.30 0.27 0.00 0.04 0.00 0.00 61.00 62.60 1r56 s PRO 75 Cb -0.07 -1.97 1.54 0.00 0.04 0.00 0.00 34.50 34.04 1r56 s PRO 75 CO 0.01 -1.13 2.03 -1.00 0.04 0.00 0.00 177.00 176.94 1r56 h PRO 76 N 0.06 0.00 -0.56 0.56 0.13 -1.97 0.09 132.00 130.31 1r56 h PRO 76 Ca -0.46 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.64 1r56 h PRO 76 Cb 1.24 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.34 1r56 h PRO 76 CO 0.55 0.00 0.26 0.93 -0.23 0.00 0.00 178.00 179.51 1r56 h GLU 77 N 0.00 0.79 -0.00 0.86 3.07 -1.95 0.09 114.58 117.44 1r56 h GLU 77 Ca 0.15 -0.10 -0.04 0.00 -0.50 0.00 0.00 59.36 58.86 1r56 h GLU 77 Cb 0.75 -0.15 0.00 0.00 -0.84 0.00 0.00 28.75 28.51 1r56 h GLU 77 CO -0.00 0.63 -0.17 1.25 -1.40 0.00 0.00 179.01 179.31 1r56 h LEU 78 N 0.79 0.16 -0.55 1.33 5.85 -1.33 -2.78 115.31 118.79 1r56 h LEU 78 Ca 0.20 -0.78 0.10 0.00 0.84 0.00 0.00 57.88 58.24 1r56 h LEU 78 Cb 0.10 -0.05 -0.08 0.00 0.37 0.00 0.00 40.66 41.01 1r56 h LEU 78 CO -0.02 0.91 0.12 0.15 -0.34 0.00 0.00 178.44 179.26 1r56 h PHE 79 N -0.58 0.20 -0.51 1.25 3.57 -1.34 0.14 116.94 119.66 1r56 h PHE 79 Ca -0.02 0.03 -0.06 0.00 3.53 0.00 0.00 57.97 61.45 1r56 h PHE 79 Cb 0.94 -0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.65 1r56 h PHE 79 CO 0.19 -0.01 0.06 0.78 -2.23 0.00 0.00 178.31 177.10 1r56 h GLY 80 N 0.26 0.88 1.17 2.40 0.00 -1.06 -0.51 103.07 106.21 1r56 h GLY 80 Ca 0.28 -0.55 -0.16 0.00 0.00 0.00 0.00 47.33 46.90 1r56 h GLY 80 CO -0.35 0.51 -0.40 1.76 0.00 0.00 0.00 176.54 178.05 1r56 h SER 81 N 0.77 0.96 -0.22 0.19 0.02 -1.04 -0.36 113.55 113.88 1r56 h SER 81 Ca 0.16 -0.45 -0.01 0.00 -0.84 0.00 0.00 61.79 60.65 1r56 h SER 81 Cb 0.38 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.64 1r56 h SER 81 CO 0.01 1.24 0.09 0.40 -1.14 0.00 0.00 176.83 177.43 1r56 h ILE 82 N 0.73 1.15 -0.45 3.27 2.04 -0.41 -0.97 117.51 122.88 1r56 h ILE 82 Ca 0.06 -0.46 -0.02 0.00 1.00 0.00 0.00 64.86 65.44 1r56 h ILE 82 Cb 0.99 1.05 -0.02 0.00 -0.74 0.00 0.00 36.82 38.11 1r56 h ILE 82 CO 0.10 0.15 0.20 0.25 0.00 0.00 0.00 178.15 178.85 1r56 h LEU 83 N 0.21 0.60 -0.50 1.44 5.85 -1.02 -2.26 115.31 119.64 1r56 h LEU 83 Ca 0.07 -0.15 -0.09 0.00 0.84 0.00 0.00 57.88 58.56 1r56 h LEU 83 Cb 0.15 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.01 1r56 h LEU 83 CO -0.01 0.58 -0.03 1.23 -0.34 0.00 0.00 178.44 179.87 1r56 h GLY 84 N 0.58 0.98 1.41 3.75 0.00 -1.02 -2.80 103.07 105.97 1r56 h GLY 84 Ca 0.15 -0.75 -0.01 0.00 0.00 0.00 0.00 47.33 46.72 1r56 h GLY 84 CO -0.02 0.68 0.28 -0.84 0.00 0.00 0.00 176.54 176.65 1r56 h THR 85 N 0.76 1.18 0.05 4.70 2.02 -1.07 -3.07 112.91 117.49 1r56 h THR 85 Ca 0.14 -0.47 0.02 0.00 0.77 0.00 0.00 66.41 66.86 1r56 h THR 85 Cb 0.57 0.45 -0.03 0.00 -1.74 0.00 0.00 68.15 67.40 1r56 h THR 85 CO 0.03 0.20 -0.17 -0.74 0.37 0.00 0.00 175.52 175.21 1r56 h HIS 86 N 0.77 -0.44 -0.89 3.16 6.17 -1.13 -2.21 115.15 120.59 1r56 h HIS 86 Ca 0.20 0.01 -0.01 0.00 0.71 0.00 0.00 60.37 61.28 1r56 h HIS 86 Cb 0.05 0.19 -0.04 0.00 2.52 0.00 0.00 27.41 30.13 1r56 h HIS 86 CO 0.01 -0.25 0.52 0.74 0.71 0.00 0.00 177.93 179.66 1r56 h PHE 87 N -0.31 1.18 0.00 5.26 0.04 -1.53 -0.61 116.94 120.97 1r56 h PHE 87 Ca 0.04 -0.01 -0.11 0.00 2.80 0.00 0.00 57.97 60.69 1r56 h PHE 87 Cb 0.35 -0.39 -0.02 0.00 2.20 0.00 0.00 35.95 38.10 1r56 h PHE 87 CO -0.20 0.80 -0.51 -0.84 -0.60 0.00 0.00 178.31 176.96 1r56 h ILE 88 N 1.22 1.22 0.00 -0.55 3.07 -1.50 -2.57 117.51 118.41 1r56 h ILE 88 Ca 0.32 -1.84 -0.05 0.00 1.55 0.00 0.00 64.86 64.84 1r56 h ILE 88 Cb -0.03 2.03 -0.01 0.00 -0.27 0.00 0.00 36.82 38.55 1r56 h ILE 88 CO -0.06 0.50 -0.63 -0.33 -1.05 0.00 0.00 178.15 176.58 1r56 h GLU 89 N 0.00 0.00 0.00 0.16 5.08 -1.21 -3.34 114.58 115.26 1r56 h GLU 89 Ca -0.01 0.00 -0.25 0.00 -1.00 0.00 0.00 59.36 58.10 1r56 h GLU 89 Cb 0.99 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.20 1r56 h GLU 89 CO 0.07 0.15 -1.78 1.17 -1.00 0.00 0.00 179.01 177.62 1r56 n LYS 90 N -2.97 0.64 -4.06 2.33 3.00 -0.25 -4.82 118.16 112.03 1r56 n LYS 90 Ca 0.00 0.17 -0.31 0.00 -0.00 0.00 0.00 58.31 58.17 1r56 n LYS 90 Cb 0.63 -1.72 -0.16 0.00 0.00 0.00 0.00 35.03 33.78 1r56 n LYS 90 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.40 178.11 1r56 s TYR 91 N -2.73 2.53 0.29 5.64 2.02 -0.97 -5.01 117.35 119.12 1r56 s TYR 91 Ca -0.05 -1.52 0.01 0.00 -0.37 0.00 0.00 57.07 55.13 1r56 s TYR 91 Cb 0.08 -1.76 0.45 0.00 -0.40 0.00 0.00 41.96 40.34 1r56 s TYR 91 CO 0.83 -0.75 1.83 -0.91 -1.57 0.00 0.00 175.55 174.97 1r56 h ASN 92 N 7.98 0.68 -0.12 2.29 2.35 -1.87 -2.84 115.58 124.04 1r56 h ASN 92 Ca -0.39 -0.13 0.00 0.00 -0.55 0.00 0.00 56.30 55.23 1r56 h ASN 92 Cb 1.13 -0.18 0.00 0.00 0.05 0.00 0.00 38.32 39.32 1r56 h ASN 92 CO 0.56 0.71 0.00 0.00 -1.65 0.00 0.00 177.43 177.05 1r56 n HIS 93 N -4.27 0.15 -3.85 1.19 1.44 -1.26 -4.79 115.22 103.83 1r56 n HIS 93 Ca 0.03 -0.07 -0.36 0.00 -2.01 0.00 0.00 57.72 55.30 1r56 n HIS 93 Cb 0.25 0.00 -0.12 0.00 0.12 0.00 0.00 29.99 30.24 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 -1.85 4.38 -0.09 0.61 -1.09 -1.07 -0.17 121.20 121.92 1r56 s ILE 94 Ca 0.29 -0.15 0.10 0.00 -2.23 0.00 0.00 60.65 58.66 1r56 s ILE 94 Cb 0.15 -3.03 -0.15 0.00 -1.58 0.00 0.00 42.46 37.86 1r56 s ILE 94 CO 0.23 0.37 0.25 1.41 -1.23 0.00 0.00 174.94 175.97 1r56 n HIS 95 N 4.57 0.00 -3.81 3.97 8.25 -0.50 -4.61 115.22 123.08 1r56 n HIS 95 Ca -0.16 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.17 1r56 n HIS 95 Cb 0.52 -0.19 -0.13 0.00 1.12 0.00 0.00 29.99 31.31 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 -2.56 -0.34 -0.07 -1.41 0.00 -1.03 -0.48 121.76 115.87 1r56 s ALA 96 Ca -0.02 0.44 0.03 0.00 0.00 0.00 0.00 51.96 52.41 1r56 s ALA 96 Cb 0.07 -0.26 0.01 0.00 0.00 0.00 0.00 23.12 22.93 1r56 s ALA 96 CO 0.41 -0.08 -0.15 0.00 0.00 0.00 0.00 175.76 175.94 1r56 s ALA 97 N 0.22 1.48 -0.25 0.00 0.00 -0.34 -0.79 121.76 122.08 1r56 s ALA 97 Ca -0.01 -0.56 -0.01 0.00 0.00 0.00 0.00 51.96 51.37 1r56 s ALA 97 Cb -0.02 -0.60 0.03 0.00 0.00 0.00 0.00 23.12 22.52 1r56 s ALA 97 CO -0.01 0.17 -0.06 -1.01 0.00 0.00 0.00 175.76 174.85 1r56 s HIS 98 N 0.51 3.09 -0.12 0.00 3.76 0.03 -0.97 115.29 121.58 1r56 s HIS 98 Ca -0.14 -1.63 -0.02 0.00 -0.15 0.00 0.00 55.06 53.12 1r56 s HIS 98 Cb -0.16 -2.05 -0.03 0.00 1.11 0.00 0.00 32.58 31.46 1r56 s HIS 98 CO 0.05 -0.75 -0.06 0.08 -0.85 0.00 0.00 174.74 173.21 1r56 s VAL 99 N 1.30 3.76 -0.08 -0.90 1.01 0.15 -0.90 120.40 124.75 1r56 s VAL 99 Ca -0.01 -0.42 0.04 0.00 0.00 0.00 0.00 61.98 61.59 1r56 s VAL 99 Cb -0.17 -2.61 0.00 0.00 0.00 0.00 0.00 36.38 33.61 1r56 s VAL 99 CO -0.04 0.53 -0.21 0.21 0.00 0.00 0.00 175.10 175.59 1r56 s ASN 100 N -0.06 2.71 -0.07 3.32 2.47 -0.10 -0.79 114.94 122.43 1r56 s ASN 100 Ca 0.01 -0.48 0.02 0.00 0.42 0.00 0.00 52.86 52.83 1r56 s ASN 100 Cb -0.13 -1.12 0.02 0.00 -1.45 0.00 0.00 41.25 38.56 1r56 s ASN 100 CO 0.03 0.14 -0.10 -0.63 -3.72 0.00 0.00 177.10 172.82 1r56 s ILE 101 N 0.30 0.98 -0.25 -5.21 1.01 -0.23 -1.06 121.20 116.74 1r56 s ILE 101 Ca -0.14 -0.37 -0.08 0.00 0.00 0.00 0.00 60.65 60.06 1r56 s ILE 101 Cb -0.16 -0.93 -0.03 0.00 0.01 0.00 0.00 42.46 41.35 1r56 s ILE 101 CO 0.06 0.33 0.08 -0.69 0.00 0.00 0.00 174.94 174.72 1r56 s VAL 102 N 0.87 4.42 -0.17 2.92 1.01 -0.19 -1.52 120.40 127.74 1r56 s VAL 102 Ca -0.11 -0.14 -0.11 0.00 0.00 0.00 0.00 61.98 61.63 1r56 s VAL 102 Cb -0.15 -3.07 -0.05 0.00 0.00 0.00 0.00 36.38 33.12 1r56 s VAL 102 CO 0.01 0.34 0.18 0.00 0.00 0.00 0.00 175.10 175.63 1r56 s HIS 104 N 0.15 3.49 0.03 0.00 3.76 -0.67 -2.80 115.29 119.24 1r56 s HIS 104 Ca 0.12 0.36 -0.30 0.00 -0.15 0.00 0.00 55.06 55.08 1r56 s HIS 104 Cb -0.12 -1.83 -0.04 0.00 1.11 0.00 0.00 32.58 31.70 1r56 s HIS 104 CO 0.01 0.64 0.98 1.03 -0.85 0.00 0.00 174.74 176.55 1r56 s ARG 105 N -1.69 4.59 -0.36 1.40 0.52 -1.26 -4.45 118.95 117.69 1r56 s ARG 105 Ca 0.24 1.44 0.00 0.00 -0.52 0.00 0.00 55.73 56.89 1r56 s ARG 105 Cb -0.12 -3.44 0.12 0.00 0.52 0.00 0.00 34.95 32.03 1r56 s ARG 105 CO 0.14 0.00 0.16 -1.58 0.02 0.00 0.00 175.30 174.05 1r56 s TRP 106 N 0.79 1.71 -0.12 -0.53 0.23 -1.26 -4.40 118.94 115.35 1r56 s TRP 106 Ca 0.51 -1.99 -0.14 0.00 -2.03 0.00 0.00 56.10 52.46 1r56 s TRP 106 Cb -0.22 -1.70 -0.05 0.00 0.03 0.00 0.00 33.47 31.53 1r56 s TRP 106 CO 0.28 -0.84 0.32 0.99 0.96 0.00 0.00 176.95 178.66 1r56 s THR 107 N 1.08 5.26 0.22 2.01 2.01 0.02 -4.82 115.64 121.43 1r56 s THR 107 Ca 0.14 0.61 -0.32 0.00 0.31 0.00 0.00 61.69 62.42 1r56 s THR 107 Cb -0.21 -3.64 -0.13 0.00 0.01 0.00 0.00 72.50 68.53 1r56 s THR 107 CO -0.13 0.44 1.58 -1.14 -0.69 0.00 0.00 174.62 174.68 1r56 n ARG 108 N 3.07 2.38 -2.50 4.92 0.63 -1.26 -0.11 116.66 123.78 1r56 n ARG 108 Ca -0.13 0.85 -0.38 0.00 -0.92 0.00 0.00 57.85 57.27 1r56 n ARG 108 Cb 0.52 -2.62 -0.04 0.00 0.45 0.00 0.00 32.46 30.77 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 0.38 4.40 -0.33 -0.14 -1.94 -0.52 -4.82 119.30 116.33 1r56 s MET 109 Ca 0.72 1.67 -0.13 0.00 -1.71 0.00 0.00 55.69 56.24 1r56 s MET 109 Cb -0.60 -2.88 -0.02 0.00 2.01 0.00 0.00 34.83 33.35 1r56 s MET 109 CO 0.41 0.04 0.26 -0.51 -0.01 0.00 0.00 175.02 175.21 1r56 s ASP 110 N -1.21 6.09 -0.20 3.03 1.01 -1.26 -0.38 116.67 123.75 1r56 s ASP 110 Ca 0.51 -0.33 -0.02 0.00 0.71 0.00 0.00 52.55 53.41 1r56 s ASP 110 Cb -0.27 -2.15 -0.00 0.00 1.01 0.00 0.00 42.92 41.50 1r56 s ASP 110 CO 0.35 -0.24 -0.08 -0.63 0.21 0.00 0.00 175.17 174.77 1r56 s ILE 111 N 1.80 3.10 -1.68 0.77 -1.09 0.11 -4.56 121.20 119.64 1r56 s ILE 111 Ca 0.08 -0.59 -0.02 0.00 -2.23 0.00 0.00 60.65 57.88 1r56 s ILE 111 Cb -0.17 -2.38 0.00 0.00 -1.58 0.00 0.00 42.46 38.33 1r56 s ILE 111 CO 0.11 0.46 0.27 0.47 -1.23 0.00 0.00 174.94 175.01 1r56 n ASP 112 N 4.58 -5.98 0.00 3.58 8.00 -1.26 -1.88 116.55 123.59 1r56 n ASP 112 Ca -0.19 -0.13 0.00 0.00 0.71 0.00 0.00 54.79 55.18 1r56 n ASP 112 Cb 0.51 -4.92 0.00 0.00 -0.02 0.00 0.00 41.12 36.69 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 -1.24 0.45 2.98 0.44 0.00 -1.26 -5.04 105.19 101.52 1r56 n GLY 113 Ca -0.19 -0.59 -0.15 0.00 0.00 0.00 0.00 46.02 45.09 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 -1.09 0.44 0.13 1.61 0.00 -0.79 -5.10 119.74 114.94 1r56 s LYS 114 Ca 0.00 -0.30 -0.31 0.00 0.00 0.00 0.00 55.97 55.36 1r56 s LYS 114 Cb 0.00 -0.38 -0.10 0.00 0.00 0.00 0.00 37.83 37.35 1r56 s LYS 114 CO 0.00 0.10 1.71 -1.25 0.00 0.00 0.00 175.35 175.91 1r56 s PRO 115 N -0.41 4.17 0.26 1.78 0.04 -1.26 0.04 135.00 139.62 1r56 s PRO 115 Ca -0.00 2.48 -0.29 0.00 0.04 0.00 0.00 61.00 63.22 1r56 s PRO 115 Cb -0.04 -3.43 -0.09 0.00 0.04 0.00 0.00 34.50 30.98 1r56 s PRO 115 CO -0.00 -0.75 1.19 -1.58 0.04 0.00 0.00 177.00 175.90 1r56 s HIS 116 N 2.17 3.39 -0.17 0.56 2.46 0.49 -4.85 115.29 119.33 1r56 s HIS 116 Ca 0.76 1.53 0.28 0.00 0.47 0.00 0.00 55.06 58.09 1r56 s HIS 116 Cb -0.44 -3.44 1.25 0.00 -0.13 0.00 0.00 32.58 29.82 1r56 s HIS 116 CO 0.34 -1.13 1.84 -1.00 -2.47 0.00 0.00 174.74 172.31 1r56 h PRO 117 N 4.17 0.00 0.00 2.88 0.13 -1.93 -3.37 132.00 133.88 1r56 h PRO 117 Ca -0.47 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.56 1r56 h PRO 117 Cb 1.22 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.21 1r56 h PRO 117 CO 0.69 0.00 -0.36 -2.39 -0.23 0.00 0.00 178.00 175.71 1r56 n HIS 118 N -2.54 0.00 -5.09 1.56 1.44 -1.26 -0.99 115.22 108.34 1r56 n HIS 118 Ca 0.01 -0.38 -0.28 0.00 -2.01 0.00 0.00 57.72 55.05 1r56 n HIS 118 Cb 0.20 0.33 -0.16 0.00 0.12 0.00 0.00 29.99 30.48 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 -0.97 2.61 0.12 4.39 0.01 -1.26 -5.04 113.70 113.56 1r56 s SER 119 Ca 0.05 -0.41 0.03 0.00 1.31 0.00 0.00 55.95 56.93 1r56 s SER 119 Cb 0.06 -0.41 -0.04 0.00 0.21 0.00 0.00 66.02 65.83 1r56 s SER 119 CO -0.03 0.25 -0.09 -0.36 0.41 0.00 0.00 173.24 173.43 1r56 s PHE 120 N -0.39 1.09 0.03 2.43 0.40 -1.26 -1.44 117.98 118.85 1r56 s PHE 120 Ca 0.05 -0.82 0.04 0.00 -0.60 0.00 0.00 56.93 55.60 1r56 s PHE 120 Cb -0.10 -0.58 -0.02 0.00 0.51 0.00 0.00 43.02 42.83 1r56 s PHE 120 CO 0.00 -0.02 -0.12 -1.50 0.70 0.00 0.00 175.22 174.28 1r56 s ILE 121 N -3.43 0.94 -0.91 0.64 2.07 0.85 -4.85 121.20 116.51 1r56 s ILE 121 Ca 0.14 -0.90 -0.20 0.00 -1.41 0.00 0.00 60.65 58.27 1r56 s ILE 121 Cb 0.04 -0.87 0.10 0.00 0.13 0.00 0.00 42.46 41.86 1r56 s ILE 121 CO -0.02 -0.03 1.19 -0.60 -1.91 0.00 0.00 174.94 173.57 1r56 s ARG 122 N -1.05 3.53 0.00 3.50 6.06 -1.26 -0.80 118.95 128.93 1r56 s ARG 122 Ca 0.00 -1.45 0.00 0.00 -2.50 0.00 0.00 55.73 51.78 1r56 s ARG 122 Cb -0.07 -4.92 0.00 0.00 0.06 0.00 0.00 34.95 30.01 1r56 s ARG 122 CO 0.01 -1.90 0.49 -0.40 -2.50 0.00 0.00 175.30 171.00 1r56 n ASP 123 N 7.34 0.00 -4.97 -2.12 5.75 -1.26 -4.90 116.55 116.40 1r56 n ASP 123 Ca 0.22 0.67 -0.19 0.00 -0.01 0.00 0.00 54.79 55.48 1r56 n ASP 123 Cb 0.49 -0.40 0.04 0.00 -1.03 0.00 0.00 41.12 40.22 1r56 n ASP 123 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 1r56 s SER 124 N -2.28 5.28 0.00 -1.12 0.15 -1.26 -4.97 113.70 109.50 1r56 s SER 124 Ca 0.00 -0.40 0.18 0.00 0.70 0.00 0.00 55.95 56.43 1r56 s SER 124 Cb 0.00 -0.43 0.57 0.00 -1.71 0.00 0.00 66.02 64.45 1r56 s SER 124 CO 0.00 -1.12 1.44 -0.62 1.20 0.00 0.00 173.24 174.14 1r56 n GLU 125 N -2.18 1.88 -1.93 5.44 -0.58 -1.26 -4.61 120.64 117.39 1r56 n GLU 125 Ca 0.10 -1.34 -0.41 0.00 -0.42 0.00 0.00 57.16 55.09 1r56 n GLU 125 Cb 0.60 -1.37 -0.02 0.00 -0.57 0.00 0.00 31.44 30.08 1r56 n GLU 125 CO 0.00 0.00 0.00 -2.00 -0.48 0.00 0.00 177.13 174.65 1r56 s GLU 126 N -1.64 4.22 0.24 3.49 2.12 -1.24 -4.79 118.70 121.09 1r56 s GLU 126 Ca 0.31 2.41 0.09 0.00 0.36 0.00 0.00 54.97 58.14 1r56 s GLU 126 Cb 0.17 -3.06 -0.04 0.00 0.26 0.00 0.00 34.13 31.45 1r56 s GLU 126 CO 0.24 -0.46 -0.05 0.15 -0.54 0.00 0.00 175.26 174.60 1r56 s LYS 127 N -0.85 2.18 -0.15 4.30 -0.14 0.08 -4.49 119.74 120.67 1r56 s LYS 127 Ca 0.58 -1.38 0.02 0.00 -1.36 0.00 0.00 55.97 53.83 1r56 s LYS 127 Cb -0.44 -2.14 0.02 0.00 -1.68 0.00 0.00 37.83 33.58 1r56 s LYS 127 CO 0.49 0.39 -0.20 0.50 -0.76 0.00 0.00 175.35 175.77 1r56 s ARG 128 N -3.36 2.83 0.25 1.68 3.52 -1.12 -1.63 118.95 121.12 1r56 s ARG 128 Ca 0.29 -0.78 0.10 0.00 -0.13 0.00 0.00 55.73 55.21 1r56 s ARG 128 Cb -0.07 -2.37 -0.05 0.00 -1.56 0.00 0.00 34.95 30.90 1r56 s ARG 128 CO 0.18 -0.11 -0.17 -0.80 -0.81 0.00 0.00 175.30 173.60 1r56 s ASN 129 N 1.06 3.10 0.02 -2.12 -0.87 -0.53 -0.04 114.94 115.56 1r56 s ASN 129 Ca -0.02 -1.04 0.00 0.00 -1.57 0.00 0.00 52.86 50.24 1r56 s ASN 129 Cb -0.14 -0.22 -0.01 0.00 -0.02 0.00 0.00 41.25 40.85 1r56 s ASN 129 CO -0.06 -0.08 -0.02 0.68 -2.57 0.00 0.00 177.10 175.05 1r56 s VAL 130 N -2.74 0.10 -0.14 1.60 -7.23 -0.58 -1.78 120.40 109.64 1r56 s VAL 130 Ca 0.27 -0.68 0.01 0.00 -1.81 0.00 0.00 61.98 59.77 1r56 s VAL 130 Cb -0.03 -0.21 0.02 0.00 0.56 0.00 0.00 36.38 36.72 1r56 s VAL 130 CO 0.11 -0.36 -0.16 -1.58 -0.31 0.00 0.00 175.10 172.80 1r56 s GLN 131 N -1.08 2.45 -0.12 4.82 0.74 -0.14 -1.07 119.66 125.25 1r56 s GLN 131 Ca -0.12 -0.63 0.01 0.00 0.05 0.00 0.00 55.36 54.68 1r56 s GLN 131 Cb -0.07 -2.12 0.02 0.00 1.10 0.00 0.00 33.01 31.93 1r56 s GLN 131 CO -0.01 -0.14 -0.15 0.08 -0.55 0.00 0.00 175.29 174.52 1r56 s VAL 132 N 1.18 1.55 -0.23 1.34 1.01 0.03 -1.26 120.40 124.02 1r56 s VAL 132 Ca -0.01 -0.66 -0.02 0.00 0.00 0.00 0.00 61.98 61.29 1r56 s VAL 132 Cb -0.14 -1.42 0.01 0.00 0.00 0.00 0.00 36.38 34.83 1r56 s VAL 132 CO -0.06 0.45 -0.08 -1.81 0.00 0.00 0.00 175.10 173.60 1r56 s ASP 133 N 1.11 4.11 -0.29 3.32 1.01 0.13 -0.67 116.67 125.38 1r56 s ASP 133 Ca -0.04 -0.69 -0.04 0.00 0.71 0.00 0.00 52.55 52.49 1r56 s ASP 133 Cb -0.14 -1.65 0.03 0.00 1.01 0.00 0.00 42.92 42.16 1r56 s ASP 133 CO -0.04 -0.07 0.02 -0.69 0.21 0.00 0.00 175.17 174.60 1r56 s VAL 134 N 1.36 3.34 -0.16 -1.27 1.01 -0.14 -0.84 120.40 123.70 1r56 s VAL 134 Ca 0.03 -1.09 0.01 0.00 0.00 0.00 0.00 61.98 60.92 1r56 s VAL 134 Cb -0.15 -2.82 0.02 0.00 0.00 0.00 0.00 36.38 33.43 1r56 s VAL 134 CO -0.06 -0.01 -0.16 -0.69 0.00 0.00 0.00 175.10 174.19 1r56 s VAL 135 N 1.36 1.73 -0.37 2.92 1.01 -1.02 -1.20 120.40 124.83 1r56 s VAL 135 Ca -0.01 -0.76 -0.43 0.00 0.00 0.00 0.00 61.98 60.78 1r56 s VAL 135 Cb -0.18 -1.61 -0.18 0.00 0.00 0.00 0.00 36.38 34.41 1r56 s VAL 135 CO -0.00 0.46 1.65 1.21 0.00 0.00 0.00 175.10 178.42 1r56 n GLU 136 N 4.72 0.59 -0.93 2.72 2.13 0.36 -0.79 120.64 129.45 1r56 n GLU 136 Ca -0.18 0.22 0.00 0.00 0.66 0.00 0.00 57.16 57.86 1r56 n GLU 136 Cb 0.50 -1.81 0.00 0.00 0.27 0.00 0.00 31.44 30.40 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 4.00 0.92 0.15 8.31 0.00 -1.26 -4.82 105.19 112.48 1r56 n GLY 137 Ca 0.28 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.37 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 -2.00 1.15 0.00 1.61 5.02 0.03 -5.12 118.16 118.86 1r56 n LYS 138 Ca 0.00 -2.12 0.00 0.00 -2.02 0.00 0.00 58.31 54.17 1r56 n LYS 138 Cb 0.00 -1.23 0.00 0.00 -0.02 0.00 0.00 35.03 33.78 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 -1.03 0.90 3.12 0.72 0.00 -1.19 -4.77 105.19 102.93 1r56 n GLY 139 Ca 0.11 -0.65 -0.31 0.00 0.00 0.00 0.00 46.02 45.17 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 1.79 -0.19 -0.61 1.01 0.76 -2.43 121.20 121.54 1r56 s ILE 140 Ca 0.00 -0.82 -0.06 0.00 0.00 0.00 0.00 60.65 59.77 1r56 s ILE 140 Cb 0.00 -1.61 -0.03 0.00 0.01 0.00 0.00 42.46 40.83 1r56 s ILE 140 CO 0.00 0.50 0.03 -1.81 0.00 0.00 0.00 174.94 173.65 1r56 s ASP 141 N 0.89 5.20 -0.06 3.58 1.01 -0.02 -0.90 116.67 126.37 1r56 s ASP 141 Ca -0.07 -0.06 0.03 0.00 0.71 0.00 0.00 52.55 53.16 1r56 s ASP 141 Cb -0.15 -1.89 0.01 0.00 1.01 0.00 0.00 42.92 41.90 1r56 s ASP 141 CO -0.02 0.13 -0.15 -0.63 0.21 0.00 0.00 175.17 174.71 1r56 s ILE 142 N 0.64 1.33 -0.16 0.77 1.01 -1.26 -0.69 121.20 122.83 1r56 s ILE 142 Ca 0.01 -0.61 0.00 0.00 0.00 0.00 0.00 60.65 60.06 1r56 s ILE 142 Cb -0.14 -1.18 -0.00 0.00 0.01 0.00 0.00 42.46 41.15 1r56 s ILE 142 CO 0.02 0.39 -0.15 -0.54 0.00 0.00 0.00 174.94 174.66 1r56 s LYS 143 N 0.47 3.22 0.02 2.79 1.02 -0.39 -0.85 119.74 126.02 1r56 s LYS 143 Ca -0.13 -0.75 0.04 0.00 0.02 0.00 0.00 55.97 55.15 1r56 s LYS 143 Cb -0.15 -2.63 -0.03 0.00 -0.52 0.00 0.00 37.83 34.50 1r56 s LYS 143 CO 0.04 0.02 -0.06 -1.12 -0.92 0.00 0.00 175.35 173.30 1r56 s SER 144 N 0.82 4.64 0.12 2.83 0.01 -0.44 -0.97 113.70 120.71 1r56 s SER 144 Ca -0.05 -0.17 -0.10 0.00 1.31 0.00 0.00 55.95 56.94 1r56 s SER 144 Cb -0.15 -1.06 0.00 0.00 0.21 0.00 0.00 66.02 65.01 1r56 s SER 144 CO -0.00 0.26 0.25 -0.94 0.41 0.00 0.00 173.24 173.22 1r56 s SER 145 N -1.57 0.04 0.05 2.44 1.04 -0.73 0.18 113.70 115.14 1r56 s SER 145 Ca 0.18 -0.67 0.09 0.00 0.48 0.00 0.00 55.95 56.04 1r56 s SER 145 Cb -0.11 0.39 -0.03 0.00 0.10 0.00 0.00 66.02 66.37 1r56 s SER 145 CO 0.09 -0.80 -0.26 -1.48 0.98 0.00 0.00 173.24 171.77 1r56 s LEU 146 N -2.88 2.17 0.12 2.42 0.05 -0.49 -1.45 118.68 118.63 1r56 s LEU 146 Ca 0.08 -0.59 -0.13 0.00 0.05 0.00 0.00 54.13 53.54 1r56 s LEU 146 Cb 0.04 -1.29 0.02 0.00 -2.05 0.00 0.00 46.19 42.91 1r56 s LEU 146 CO -0.08 0.26 0.32 -0.94 -0.55 0.00 0.00 176.35 175.36 1r56 s SER 147 N -1.26 -0.08 -0.72 1.48 1.04 -0.64 -1.92 113.70 111.60 1r56 s SER 147 Ca 0.12 -0.52 0.00 0.00 0.48 0.00 0.00 55.95 56.03 1r56 s SER 147 Cb -0.10 0.43 0.00 0.00 0.10 0.00 0.00 66.02 66.45 1r56 s SER 147 CO 0.02 -0.83 0.00 0.61 0.98 0.00 0.00 173.24 174.02 1r56 n GLY 148 N -0.18 0.36 3.61 7.32 0.00 -1.17 -0.74 105.19 114.38 1r56 n GLY 148 Ca -0.14 -0.60 -0.40 0.00 0.00 0.00 0.00 46.02 44.87 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 -2.09 4.11 -0.20 0.99 2.96 -1.21 -3.67 118.68 119.58 1r56 s LEU 149 Ca 0.00 0.44 -0.01 0.00 -0.22 0.00 0.00 54.13 54.34 1r56 s LEU 149 Cb 0.00 -2.69 0.01 0.00 0.50 0.00 0.00 46.19 44.01 1r56 s LEU 149 CO 0.00 -0.35 -0.14 -0.89 -1.32 0.00 0.00 176.35 173.65 1r56 s THR 150 N 2.39 2.55 0.22 3.68 2.01 -1.26 -0.38 115.64 124.85 1r56 s THR 150 Ca 0.22 -0.78 0.05 0.00 0.31 0.00 0.00 61.69 61.49 1r56 s THR 150 Cb -0.15 -2.11 -0.05 0.00 0.01 0.00 0.00 72.50 70.19 1r56 s THR 150 CO 0.10 0.49 -0.05 0.68 -0.69 0.00 0.00 174.62 175.15 1r56 s VAL 151 N 1.36 1.28 -0.18 3.82 -7.23 -0.77 -5.02 120.40 113.66 1r56 s VAL 151 Ca 0.05 -2.08 -0.15 0.00 -1.81 0.00 0.00 61.98 57.99 1r56 s VAL 151 Cb -0.13 -2.25 0.05 0.00 0.56 0.00 0.00 36.38 34.61 1r56 s VAL 151 CO -0.09 -0.43 0.46 -0.22 -0.31 0.00 0.00 175.10 174.51 1r56 s LEU 152 N -3.32 0.13 -0.03 1.32 0.20 -1.26 -2.13 118.68 113.60 1r56 s LEU 152 Ca 0.26 0.95 0.04 0.00 0.69 0.00 0.00 54.13 56.07 1r56 s LEU 152 Cb 0.04 1.58 -0.00 0.00 -0.43 0.00 0.00 46.19 47.38 1r56 s LEU 152 CO 0.08 -0.17 -0.14 -1.59 -0.29 0.00 0.00 176.35 174.24 1r56 s LYS 153 N 0.48 1.33 0.00 1.98 -2.85 0.53 -5.00 119.74 116.22 1r56 s LYS 153 Ca -0.02 -0.50 0.25 0.00 -1.00 0.00 0.00 55.97 54.71 1r56 s LYS 153 Cb -0.04 -1.22 0.54 0.00 -2.06 0.00 0.00 37.83 35.05 1r56 s LYS 153 CO -0.02 0.24 1.44 -1.13 0.10 0.00 0.00 175.35 175.97 1r56 n SER 154 N 3.01 0.48 -2.37 0.03 3.41 -1.26 -1.17 113.62 115.74 1r56 n SER 154 Ca -0.17 -0.21 -0.08 0.00 -0.26 0.00 0.00 58.87 58.16 1r56 n SER 154 Cb 0.54 0.21 0.01 0.00 -0.26 0.00 0.00 64.21 64.72 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 -1.51 0.00 -3.42 6.66 5.66 -1.25 -4.31 114.28 116.10 1r56 n THR 155 Ca 0.06 -0.87 -0.20 0.00 -3.05 0.00 0.00 64.05 59.98 1r56 n THR 155 Cb 0.34 0.76 0.07 0.00 -1.55 0.00 0.00 70.33 69.95 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 -1.47 -5.60 -3.93 1.09 4.13 -1.26 -4.88 115.26 103.34 1r56 n ASN 156 Ca -0.05 -0.46 -0.13 0.00 1.68 0.00 0.00 54.58 55.62 1r56 n ASN 156 Cb 0.45 -4.34 -0.13 0.00 -1.54 0.00 0.00 39.78 34.21 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 -3.30 0.27 0.11 6.41 0.15 -1.26 -3.61 113.70 112.48 1r56 s SER 157 Ca 0.48 -0.14 0.00 0.00 0.70 0.00 0.00 55.95 56.99 1r56 s SER 157 Cb -0.21 -0.00 -0.04 0.00 -1.71 0.00 0.00 66.02 64.05 1r56 s SER 157 CO 0.62 -0.04 -0.00 -1.10 1.20 0.00 0.00 173.24 173.91 1r56 s GLN 158 N -0.36 0.86 -0.27 5.44 -0.21 0.35 -1.78 119.66 123.68 1r56 s GLN 158 Ca -0.02 -1.38 -0.00 0.00 0.02 0.00 0.00 55.36 53.97 1r56 s GLN 158 Cb -0.03 0.05 0.15 0.00 1.00 0.00 0.00 33.01 34.18 1r56 s GLN 158 CO -0.00 -0.15 0.39 0.12 -2.12 0.00 0.00 175.29 173.53 1r56 s PHE 159 N -3.85 -0.90 0.12 0.91 5.36 -0.64 -3.94 117.98 115.04 1r56 s PHE 159 Ca 0.17 0.52 -0.16 0.00 -0.96 0.00 0.00 56.93 56.51 1r56 s PHE 159 Cb 0.07 -0.09 0.03 0.00 -0.34 0.00 0.00 43.02 42.69 1r56 s PHE 159 CO -0.02 -0.86 0.40 1.67 -1.46 0.00 0.00 175.22 174.94 1r56 s TRP 160 N 2.53 -0.19 0.00 10.12 1.48 -1.26 -0.57 118.94 131.05 1r56 s TRP 160 Ca 0.11 -0.13 0.00 0.00 -1.06 0.00 0.00 56.10 55.02 1r56 s TRP 160 Cb -0.14 0.25 0.00 0.00 -1.16 0.00 0.00 33.47 32.42 1r56 s TRP 160 CO -0.24 -0.70 0.00 0.41 -4.06 0.00 0.00 176.95 172.36 1r56 n GLY 161 N -0.22 0.59 3.89 3.67 0.00 -1.26 -5.02 105.19 106.84 1r56 n GLY 161 Ca -0.16 -0.18 -0.29 0.00 0.00 0.00 0.00 46.02 45.38 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 -2.00 3.30 0.42 1.61 -0.71 -1.26 -5.00 117.98 114.34 1r56 s PHE 162 Ca 0.00 0.96 -0.26 0.00 -1.04 0.00 0.00 56.93 56.58 1r56 s PHE 162 Cb 0.00 -3.02 -0.10 0.00 -1.21 0.00 0.00 43.02 38.69 1r56 s PHE 162 CO 0.00 -1.13 1.43 -0.11 -1.34 0.00 0.00 175.22 174.07 1r56 n LEU 163 N -2.93 4.83 -4.00 -1.99 0.00 -1.26 -5.02 117.00 106.62 1r56 n LEU 163 Ca 0.06 1.17 -0.24 0.00 0.00 0.00 0.00 56.01 57.00 1r56 n LEU 163 Cb 0.57 -1.60 -0.17 0.00 0.00 0.00 0.00 43.42 42.23 1r56 n LEU 163 CO 0.57 -0.09 -0.46 -0.13 0.00 0.00 0.00 177.39 177.28 1r56 s ARG 164 N -2.27 1.56 0.00 1.96 0.52 -1.26 -4.99 118.95 114.47 1r56 s ARG 164 Ca 0.58 -0.36 0.00 0.00 -0.52 0.00 0.00 55.73 55.43 1r56 s ARG 164 Cb -0.47 -1.32 0.00 0.00 0.52 0.00 0.00 34.95 33.68 1r56 s ARG 164 CO 0.60 0.00 0.00 -0.40 0.02 0.00 0.00 175.30 175.53 1r56 n ASP 165 N 3.87 0.00 0.00 0.23 5.68 -1.26 -5.01 116.55 120.06 1r56 n ASP 165 Ca -0.23 -0.30 0.10 0.00 -0.50 0.00 0.00 54.79 53.86 1r56 n ASP 165 Cb 0.52 0.00 0.60 0.00 -1.14 0.00 0.00 41.12 41.09 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 0.60 0.00 0.11 0.00 -1.26 -2.14 120.64 117.95 1r56 n GLU 166 Ca 0.00 0.01 0.11 0.00 0.00 0.00 0.00 57.16 57.29 1r56 n GLU 166 Cb 0.00 -1.50 0.09 0.00 0.00 0.00 0.00 31.44 30.03 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 -1.04 0.00 -3.72 -1.84 4.01 -1.26 -4.97 117.16 108.34 1r56 n TYR 167 Ca 0.15 0.00 -0.36 0.00 -0.16 0.00 0.00 57.90 57.53 1r56 n TYR 167 Cb 0.08 0.00 -0.09 0.00 -0.31 0.00 0.00 39.34 39.02 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 -1.89 5.28 0.00 -0.72 2.01 -0.91 -4.92 115.64 114.48 1r56 s THR 168 Ca 0.26 0.15 0.00 0.00 0.31 0.00 0.00 61.69 62.41 1r56 s THR 168 Cb 0.19 -3.44 0.00 0.00 0.01 0.00 0.00 72.50 69.26 1r56 s THR 168 CO 0.29 0.39 0.00 0.35 -0.69 0.00 0.00 174.62 174.95 1r56 n THR 169 N 3.99 0.00 -1.96 -0.82 -2.24 -1.26 -4.83 114.28 107.16 1r56 n THR 169 Ca -0.16 -0.18 -0.41 0.00 -2.27 0.00 0.00 64.05 61.03 1r56 n THR 169 Cb 0.52 0.68 -0.02 0.00 -2.10 0.00 0.00 70.33 69.41 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 -1.89 4.38 0.28 3.22 2.96 -1.26 -4.99 118.68 121.37 1r56 s LEU 170 Ca 0.00 2.77 -0.17 0.00 -0.22 0.00 0.00 54.13 56.50 1r56 s LEU 170 Cb 0.00 -3.63 -0.09 0.00 0.50 0.00 0.00 46.19 42.97 1r56 s LEU 170 CO 0.00 -0.73 0.74 -0.54 -1.32 0.00 0.00 176.35 174.50 1r56 s LYS 171 N -0.81 4.13 0.56 1.98 1.02 -1.26 -5.04 119.74 120.32 1r56 s LYS 171 Ca 0.58 0.78 -0.18 0.00 0.02 0.00 0.00 55.97 57.17 1r56 s LYS 171 Cb -0.43 -2.62 -0.05 0.00 -0.52 0.00 0.00 37.83 34.21 1r56 s LYS 171 CO 0.48 0.25 1.08 -1.21 -0.92 0.00 0.00 175.35 175.04 1r56 s GLU 172 N -2.54 3.36 0.01 1.68 2.02 -1.26 -4.99 118.70 116.98 1r56 s GLU 172 Ca 0.50 1.40 -0.10 0.00 0.02 0.00 0.00 54.97 56.78 1r56 s GLU 172 Cb -0.13 -2.03 0.01 0.00 0.10 0.00 0.00 34.13 32.08 1r56 s GLU 172 CO 0.19 -0.80 0.21 -0.08 0.02 0.00 0.00 175.26 174.79 1r56 s THR 173 N -2.11 0.08 -0.24 3.63 -1.32 0.26 -4.98 115.64 110.95 1r56 s THR 173 Ca 0.68 -0.67 0.03 0.00 -1.21 0.00 0.00 61.69 60.51 1r56 s THR 173 Cb -0.19 -0.62 0.07 0.00 -1.51 0.00 0.00 72.50 70.25 1r56 s THR 173 CO 0.30 -0.37 0.99 0.79 -2.21 0.00 0.00 174.62 174.13 1r56 n TRP 174 N 1.19 0.10 -3.32 9.09 8.01 -1.26 -1.62 117.44 129.62 1r56 n TRP 174 Ca -0.21 -0.43 0.02 0.00 -1.31 0.00 0.00 57.50 55.57 1r56 n TRP 174 Cb 0.57 -0.04 -0.02 0.00 -2.01 0.00 0.00 31.31 29.81 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 -0.89 -1.23 0.24 -0.99 2.15 -1.25 -4.76 116.67 109.95 1r56 s ASP 175 Ca 0.05 1.07 -0.09 0.00 0.43 0.00 0.00 52.55 54.01 1r56 s ASP 175 Cb 0.03 2.15 -0.01 0.00 -0.30 0.00 0.00 42.92 44.78 1r56 s ASP 175 CO 0.04 -0.23 0.38 0.00 -0.17 0.00 0.00 175.17 175.19 1r56 s ARG 176 N 2.86 1.48 -0.00 4.34 1.70 -0.73 -5.00 118.95 123.59 1r56 s ARG 176 Ca 0.10 -1.40 -0.27 0.00 -0.47 0.00 0.00 55.73 53.70 1r56 s ARG 176 Cb -0.13 0.41 -0.04 0.00 -0.57 0.00 0.00 34.95 34.62 1r56 s ARG 176 CO -0.20 -0.59 0.83 0.42 -1.08 0.00 0.00 175.30 174.69 1r56 s ILE 177 N -3.98 4.87 -0.18 4.99 1.01 -1.26 -3.94 121.20 122.71 1r56 s ILE 177 Ca 0.28 1.75 0.01 0.00 0.00 0.00 0.00 60.65 62.68 1r56 s ILE 177 Cb 0.01 -4.18 0.02 0.00 0.01 0.00 0.00 42.46 38.32 1r56 s ILE 177 CO 0.11 0.25 -0.19 -0.22 0.00 0.00 0.00 174.94 174.89 1r56 s LEU 178 N 0.62 2.19 0.01 2.97 2.96 -0.32 -4.84 118.68 122.27 1r56 s LEU 178 Ca 0.44 -0.63 0.01 0.00 -0.22 0.00 0.00 54.13 53.73 1r56 s LEU 178 Cb -0.20 -1.50 -0.01 0.00 0.50 0.00 0.00 46.19 44.98 1r56 s LEU 178 CO 0.24 -0.00 -0.04 -0.55 -1.32 0.00 0.00 176.35 174.67 1r56 s SER 179 N 1.30 0.48 0.05 3.68 0.15 -1.26 -0.34 113.70 117.76 1r56 s SER 179 Ca 0.05 -0.22 -0.27 0.00 0.70 0.00 0.00 55.95 56.21 1r56 s SER 179 Cb -0.13 -0.01 0.09 0.00 -1.71 0.00 0.00 66.02 64.26 1r56 s SER 179 CO -0.12 -0.05 0.75 0.28 1.20 0.00 0.00 173.24 175.30 1r56 s THR 180 N -0.52 0.00 0.24 6.45 -1.32 -0.91 -0.59 115.64 118.99 1r56 s THR 180 Ca -0.03 0.00 -0.05 0.00 -1.21 0.00 0.00 61.69 60.40 1r56 s THR 180 Cb -0.04 -1.00 -0.05 0.00 -1.51 0.00 0.00 72.50 69.89 1r56 s THR 180 CO -0.00 0.00 0.50 -1.81 -2.21 0.00 0.00 174.62 171.09 1r56 s ASP 181 N -2.40 6.47 -0.10 8.08 1.01 -0.90 -1.85 116.67 126.98 1r56 s ASP 181 Ca 0.01 0.68 0.01 0.00 0.71 0.00 0.00 52.55 53.96 1r56 s ASP 181 Cb -0.01 -2.13 0.02 0.00 1.01 0.00 0.00 42.92 41.82 1r56 s ASP 181 CO -0.08 -0.11 -0.10 -0.69 0.21 0.00 0.00 175.17 174.40 1r56 s VAL 182 N -1.93 1.15 -0.21 -1.27 1.01 0.49 -3.56 120.40 116.07 1r56 s VAL 182 Ca 0.43 -0.41 -0.00 0.00 0.00 0.00 0.00 61.98 62.00 1r56 s VAL 182 Cb -0.11 -1.11 0.02 0.00 0.00 0.00 0.00 36.38 35.18 1r56 s VAL 182 CO 0.27 0.38 -0.13 -0.62 0.00 0.00 0.00 175.10 175.00 1r56 s ASP 183 N 1.31 3.77 -0.06 3.32 -1.08 -0.97 -3.07 116.67 119.89 1r56 s ASP 183 Ca -0.02 -0.78 0.02 0.00 -0.52 0.00 0.00 52.55 51.25 1r56 s ASP 183 Cb -0.14 -1.57 0.01 0.00 -1.46 0.00 0.00 42.92 39.76 1r56 s ASP 183 CO -0.04 -0.06 -0.12 0.00 0.52 0.00 0.00 175.17 175.46 1r56 s ALA 184 N 1.30 1.24 0.02 3.66 0.00 -0.81 -1.42 121.76 125.76 1r56 s ALA 184 Ca 0.02 -0.43 0.07 0.00 0.00 0.00 0.00 51.96 51.61 1r56 s ALA 184 Cb -0.15 -0.53 -0.02 0.00 0.00 0.00 0.00 23.12 22.41 1r56 s ALA 184 CO -0.08 0.13 -0.20 0.99 0.00 0.00 0.00 175.76 176.60 1r56 s THR 185 N 0.55 1.58 -0.08 0.00 2.01 -0.15 -1.39 115.64 118.16 1r56 s THR 185 Ca -0.12 -1.06 -0.00 0.00 0.31 0.00 0.00 61.69 60.82 1r56 s THR 185 Cb -0.15 -1.36 0.02 0.00 0.01 0.00 0.00 72.50 71.03 1r56 s THR 185 CO 0.03 0.27 -0.04 -1.66 -0.69 0.00 0.00 174.62 172.53 1r56 s TRP 186 N -0.69 1.03 -0.17 4.92 -2.14 0.13 -0.41 118.94 121.61 1r56 s TRP 186 Ca 0.07 -0.41 -0.17 0.00 2.66 0.00 0.00 56.10 58.25 1r56 s TRP 186 Cb -0.08 -0.95 -0.04 0.00 -3.10 0.00 0.00 33.47 29.30 1r56 s TRP 186 CO 0.01 -0.37 0.45 -1.14 -2.66 0.00 0.00 176.95 173.24 1r56 s GLN 187 N 1.59 4.24 0.57 3.25 0.74 -0.33 -1.32 119.66 128.39 1r56 s GLN 187 Ca 0.01 0.34 -0.15 0.00 0.05 0.00 0.00 55.36 55.60 1r56 s GLN 187 Cb -0.13 -3.50 -0.05 0.00 1.10 0.00 0.00 33.01 30.43 1r56 s GLN 187 CO -0.05 0.02 1.02 -1.58 -0.55 0.00 0.00 175.29 174.15 1r56 s TRP 188 N 1.09 3.32 0.63 1.67 0.52 -0.03 -0.92 118.94 125.22 1r56 s TRP 188 Ca 0.23 1.45 -0.18 0.00 0.02 0.00 0.00 56.10 57.61 1r56 s TRP 188 Cb -0.15 -2.85 -0.02 0.00 -1.15 0.00 0.00 33.47 29.30 1r56 s TRP 188 CO 0.09 -0.70 1.26 -1.59 0.02 0.00 0.00 176.95 176.03 1r56 s LYS 189 N -4.33 2.71 0.25 4.98 -2.85 0.54 -4.62 119.74 116.43 1r56 s LYS 189 Ca 0.59 1.97 -0.30 0.00 -1.00 0.00 0.00 55.97 57.23 1r56 s LYS 189 Cb -0.12 -1.88 -0.14 0.00 -2.06 0.00 0.00 37.83 33.63 1r56 s LYS 189 CO 0.38 -1.44 1.26 -1.71 0.10 0.00 0.00 175.35 173.94 1r56 n ASN 190 N -1.79 2.19 -4.69 0.03 2.85 -1.26 -4.82 115.26 107.77 1r56 n ASN 190 Ca 0.15 1.16 -0.30 0.00 -0.11 0.00 0.00 54.58 55.47 1r56 n ASN 190 Cb 0.49 -1.37 -0.08 0.00 1.24 0.00 0.00 39.78 40.06 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 -0.43 3.01 -0.26 1.20 0.08 -0.08 -4.94 117.98 116.56 1r56 s PHE 191 Ca 0.65 -0.01 0.18 0.00 0.12 0.00 0.00 56.93 57.88 1r56 s PHE 191 Cb -0.69 -1.56 0.19 0.00 -0.57 0.00 0.00 43.02 40.39 1r56 s PHE 191 CO 0.54 0.48 1.52 0.66 -0.10 0.00 0.00 175.22 178.32 1r56 h SER 192 N 3.54 0.00 0.00 1.36 4.64 -1.94 0.22 113.55 121.37 1r56 h SER 192 Ca -0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 1r56 h SER 192 Cb 1.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.26 1r56 h SER 192 CO 0.60 0.30 0.00 0.61 -0.87 0.00 0.00 176.83 177.47 1r56 n GLY 193 N 1.15 -1.35 0.29 -0.77 0.00 -1.26 -4.48 105.19 98.77 1r56 n GLY 193 Ca 0.03 -0.97 -0.07 0.00 0.00 0.00 0.00 46.02 45.00 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 0.91 -0.92 0.99 6.46 -1.94 -2.53 115.31 118.28 1r56 h LEU 194 Ca 0.00 -0.19 0.07 0.00 -0.12 0.00 0.00 57.88 57.64 1r56 h LEU 194 Cb 0.00 -0.24 -0.07 0.00 -0.73 0.00 0.00 40.66 39.63 1r56 h LEU 194 CO 0.00 0.85 0.58 1.56 -0.62 0.00 0.00 178.44 180.81 1r56 h GLN 195 N 0.91 1.00 -0.09 1.25 4.20 -1.99 0.39 115.11 120.78 1r56 h GLN 195 Ca 0.21 -0.06 -0.03 0.00 0.06 0.00 0.00 58.65 58.83 1r56 h GLN 195 Cb 0.25 -0.22 -0.00 0.00 0.30 0.00 0.00 27.48 27.81 1r56 h GLN 195 CO -0.01 0.66 -0.06 1.49 -0.67 0.00 0.00 178.83 180.24 1r56 h GLU 196 N 1.03 0.19 -0.41 1.46 4.81 -1.89 -2.73 114.58 117.04 1r56 h GLU 196 Ca 0.41 -0.09 0.08 0.00 -0.13 0.00 0.00 59.36 59.63 1r56 h GLU 196 Cb 0.22 -0.00 -0.07 0.00 0.63 0.00 0.00 28.75 29.53 1r56 h GLU 196 CO -0.19 0.58 -0.00 0.28 -0.73 0.00 0.00 179.01 178.94 1r56 h VAL 197 N -0.19 0.69 -0.44 0.32 2.07 -1.15 -1.19 116.25 116.35 1r56 h VAL 197 Ca 0.02 -0.04 0.03 0.00 0.82 0.00 0.00 66.70 67.53 1r56 h VAL 197 Cb 0.53 0.57 -0.02 0.00 -1.52 0.00 0.00 31.29 30.84 1r56 h VAL 197 CO 0.02 0.02 0.29 0.03 0.02 0.00 0.00 177.57 177.95 1r56 h ARG 198 N 0.11 0.46 0.00 1.57 3.08 -0.91 -1.56 114.38 117.13 1r56 h ARG 198 Ca 0.20 -0.03 -0.03 0.00 0.07 0.00 0.00 59.98 60.20 1r56 h ARG 198 Cb 0.29 -0.10 -0.00 0.00 0.08 0.00 0.00 29.97 30.23 1r56 h ARG 198 CO -0.34 0.31 -0.12 0.66 -1.07 0.00 0.00 179.97 179.40 1r56 h SER 199 N 0.48 0.00 -0.31 7.04 4.64 -0.91 -3.09 113.55 121.40 1r56 h SER 199 Ca 0.18 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.50 1r56 h SER 199 Cb 0.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.21 1r56 h SER 199 CO -0.04 0.12 0.00 1.41 -0.87 0.00 0.00 176.83 177.45 1r56 n HIS 200 N -3.16 0.40 -0.32 4.77 8.25 -0.62 -4.64 115.22 119.91 1r56 n HIS 200 Ca 0.02 -0.20 0.14 0.00 -0.26 0.00 0.00 57.72 57.43 1r56 n HIS 200 Cb 0.51 0.00 0.30 0.00 1.12 0.00 0.00 29.99 31.92 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 3.13 0.14 0.00 1.59 2.07 -1.39 0.14 116.25 121.93 1r56 h VAL 201 Ca 0.00 -0.03 -0.03 0.00 0.82 0.00 0.00 66.70 67.46 1r56 h VAL 201 Cb 0.69 0.06 -0.00 0.00 -1.52 0.00 0.00 31.29 30.52 1r56 h VAL 201 CO 0.00 0.01 -0.15 -0.65 0.02 0.00 0.00 177.57 176.80 1r56 h PRO 202 N 0.08 0.00 0.00 1.57 0.11 -1.87 -2.71 132.00 129.18 1r56 h PRO 202 Ca 0.59 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 66.66 1r56 h PRO 202 Cb 1.22 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.33 1r56 h PRO 202 CO -0.81 0.15 -0.19 0.87 -0.21 0.00 0.00 178.00 177.82 1r56 h LYS 203 N 0.00 0.00 0.56 1.05 1.57 -1.32 -3.30 116.57 115.13 1r56 h LYS 203 Ca -0.00 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.75 1r56 h LYS 203 Cb 0.35 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.67 1r56 h LYS 203 CO 0.02 0.19 -0.27 0.74 -0.57 0.00 0.00 179.45 179.56 1r56 h PHE 204 N 0.00 -0.69 -0.93 -1.35 0.04 -1.58 -1.30 116.94 111.13 1r56 h PHE 204 Ca -0.00 -0.02 -0.01 0.00 2.80 0.00 0.00 57.97 60.75 1r56 h PHE 204 Cb 0.58 0.23 -0.04 0.00 2.20 0.00 0.00 35.95 38.91 1r56 h PHE 204 CO 0.00 -0.36 0.56 -0.44 -0.60 0.00 0.00 178.31 177.46 1r56 h ASP 205 N -1.04 1.12 -0.71 2.17 3.32 -1.75 -1.39 116.42 118.14 1r56 h ASP 205 Ca -0.08 -0.07 -0.07 0.00 0.02 0.00 0.00 57.03 56.83 1r56 h ASP 205 Cb 0.64 -0.28 -0.03 0.00 0.22 0.00 0.00 39.33 39.88 1r56 h ASP 205 CO 0.13 0.86 0.17 0.00 -1.72 0.00 0.00 179.24 178.68 1r56 h ALA 206 N 1.31 0.96 -0.01 3.45 0.00 -1.64 -1.39 119.26 121.94 1r56 h ALA 206 Ca 0.33 -0.25 -0.17 0.00 0.00 0.00 0.00 54.91 54.82 1r56 h ALA 206 Cb -0.05 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.45 1r56 h ALA 206 CO -0.06 0.67 -0.77 1.15 0.00 0.00 0.00 179.25 180.24 1r56 h THR 207 N 1.08 1.50 -0.22 0.00 2.02 -0.92 -2.24 112.91 114.11 1r56 h THR 207 Ca 0.22 -2.48 -0.02 0.00 0.77 0.00 0.00 66.41 64.90 1r56 h THR 207 Cb 0.38 2.35 -0.01 0.00 -1.74 0.00 0.00 68.15 69.13 1r56 h THR 207 CO 0.00 0.72 0.06 -0.25 0.37 0.00 0.00 175.52 176.42 1r56 h TRP 208 N 0.07 0.37 -0.69 3.16 7.01 -1.14 -1.01 115.95 123.72 1r56 h TRP 208 Ca -0.02 -0.04 0.01 0.00 2.11 0.00 0.00 58.89 60.94 1r56 h TRP 208 Cb 1.36 -0.11 -0.03 0.00 -2.10 0.00 0.00 29.16 28.28 1r56 h TRP 208 CO 0.01 0.46 0.46 0.00 -2.79 0.00 0.00 178.44 176.58 1r56 h ALA 209 N 0.87 1.50 -0.08 2.65 0.00 -1.20 -1.12 119.26 121.88 1r56 h ALA 209 Ca 0.07 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 1r56 h ALA 209 Cb 0.27 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 1r56 h ALA 209 CO 0.00 0.46 -0.07 1.15 0.00 0.00 0.00 179.25 180.80 1r56 h THR 210 N 0.94 1.35 -0.85 0.00 2.02 -1.23 -1.33 112.91 113.82 1r56 h THR 210 Ca 0.25 -1.18 0.03 0.00 0.77 0.00 0.00 66.41 66.28 1r56 h THR 210 Cb -0.11 1.97 -0.05 0.00 -1.74 0.00 0.00 68.15 68.22 1r56 h THR 210 CO -0.05 0.33 0.55 0.00 0.37 0.00 0.00 175.52 176.71 1r56 h ALA 211 N 0.58 1.10 -0.13 6.16 0.00 -0.96 0.20 119.26 126.21 1r56 h ALA 211 Ca 0.01 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 1r56 h ALA 211 Cb 0.56 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1r56 h ALA 211 CO 0.02 0.41 0.01 -0.09 0.00 0.00 0.00 179.25 179.60 1r56 h ARG 212 N 1.08 0.22 -0.52 0.00 2.43 -1.11 -2.06 114.38 114.44 1r56 h ARG 212 Ca 0.33 -0.06 -0.05 0.00 -0.81 0.00 0.00 59.98 59.38 1r56 h ARG 212 Cb -0.03 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.47 1r56 h ARG 212 CO -0.10 0.43 0.12 1.49 -1.51 0.00 0.00 179.97 180.40 1r56 h GLU 213 N -0.01 0.83 -0.78 0.20 4.81 -1.05 -1.86 114.58 116.72 1r56 h GLU 213 Ca 0.04 -0.20 -0.03 0.00 -0.13 0.00 0.00 59.36 59.04 1r56 h GLU 213 Cb 0.32 -0.11 -0.04 0.00 0.63 0.00 0.00 28.75 29.55 1r56 h GLU 213 CO 0.00 0.79 0.37 0.28 -0.73 0.00 0.00 179.01 179.73 1r56 h VAL 214 N 0.72 1.25 -0.16 0.32 2.07 -1.02 0.27 116.25 119.70 1r56 h VAL 214 Ca 0.16 -0.70 -0.02 0.00 0.82 0.00 0.00 66.70 66.96 1r56 h VAL 214 Cb 0.34 0.25 -0.01 0.00 -1.52 0.00 0.00 31.29 30.36 1r56 h VAL 214 CO 0.00 0.30 0.04 0.74 0.02 0.00 0.00 177.57 178.67 1r56 h THR 215 N 1.11 1.20 0.16 2.57 2.02 -1.03 -1.62 112.91 117.32 1r56 h THR 215 Ca 0.27 -0.64 -0.01 0.00 0.77 0.00 0.00 66.41 66.80 1r56 h THR 215 Cb 0.12 1.33 0.00 0.00 -1.74 0.00 0.00 68.15 67.86 1r56 h THR 215 CO -0.03 0.19 -0.08 -0.07 0.37 0.00 0.00 175.52 175.90 1r56 h LEU 216 N 0.06 -0.18 -0.40 2.58 4.07 -1.19 -2.28 115.31 117.96 1r56 h LEU 216 Ca 0.05 -0.22 0.01 0.00 0.08 0.00 0.00 57.88 57.80 1r56 h LEU 216 Cb 0.26 0.05 -0.02 0.00 1.08 0.00 0.00 40.66 42.03 1r56 h LEU 216 CO 0.00 0.13 0.25 0.50 -1.08 0.00 0.00 178.44 178.24 1r56 h LYS 217 N -0.51 0.50 -0.44 1.13 3.64 -0.95 -0.80 116.57 119.14 1r56 h LYS 217 Ca -0.02 -0.03 -0.06 0.00 -1.27 0.00 0.00 60.65 59.27 1r56 h LYS 217 Cb 0.39 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 32.09 1r56 h LYS 217 CO 0.04 0.33 0.05 1.15 -2.27 0.00 0.00 179.45 178.74 1r56 h THR 218 N 0.51 1.25 -0.10 1.00 2.02 -1.37 -0.51 112.91 115.70 1r56 h THR 218 Ca 0.15 -0.94 0.01 0.00 0.77 0.00 0.00 66.41 66.40 1r56 h THR 218 Cb -0.03 1.01 -0.01 0.00 -1.74 0.00 0.00 68.15 67.38 1r56 h THR 218 CO -0.05 0.33 0.02 0.15 0.37 0.00 0.00 175.52 176.34 1r56 h PHE 219 N 0.59 0.04 -0.15 3.16 3.57 -1.25 -0.74 116.94 122.17 1r56 h PHE 219 Ca 0.13 0.01 -0.11 0.00 3.53 0.00 0.00 57.97 61.53 1r56 h PHE 219 Cb 0.42 -0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.14 1r56 h PHE 219 CO 0.03 0.02 -0.38 0.00 -2.23 0.00 0.00 178.31 175.75 1r56 h ALA 220 N 1.07 1.08 0.00 2.41 0.00 -0.91 -3.34 119.26 119.57 1r56 h ALA 220 Ca 0.04 -0.40 -0.15 0.00 0.00 0.00 0.00 54.91 54.40 1r56 h ALA 220 Cb 0.03 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 1r56 h ALA 220 CO -0.05 0.59 -1.84 0.39 0.00 0.00 0.00 179.25 178.33 1r56 n GLU 221 N -4.05 0.65 -2.39 0.00 1.02 -0.22 -4.90 120.64 110.76 1r56 n GLU 221 Ca -0.01 0.01 -0.43 0.00 -0.02 0.00 0.00 57.16 56.71 1r56 n GLU 221 Cb 0.47 -1.63 -0.02 0.00 -0.02 0.00 0.00 31.44 30.23 1r56 n GLU 221 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1r56 s ASP 222 N -5.25 6.78 -0.84 1.62 2.15 -0.29 -4.96 116.67 115.88 1r56 s ASP 222 Ca -0.06 1.50 -0.18 0.00 0.43 0.00 0.00 52.55 54.24 1r56 s ASP 222 Cb 0.10 -2.54 0.15 0.00 -0.30 0.00 0.00 42.92 40.33 1r56 s ASP 222 CO 0.85 -0.94 0.95 0.21 -0.17 0.00 0.00 175.17 176.07 1r56 s ASN 223 N 2.53 6.58 0.21 -0.34 3.84 -1.26 -4.87 114.94 121.63 1r56 s ASN 223 Ca 0.57 -2.10 0.09 0.00 0.21 0.00 0.00 52.86 51.63 1r56 s ASN 223 Cb -0.20 -2.33 -0.05 0.00 -0.55 0.00 0.00 41.25 38.12 1r56 s ASN 223 CO 0.20 -0.94 -0.17 -0.55 -2.79 0.00 0.00 177.10 172.85 1r56 s SER 224 N 3.21 2.81 0.00 -4.21 0.15 -1.24 -4.99 113.70 109.43 1r56 s SER 224 Ca 0.25 -0.98 0.18 0.00 0.70 0.00 0.00 55.95 56.10 1r56 s SER 224 Cb -0.10 -0.17 0.24 0.00 -1.71 0.00 0.00 66.02 64.27 1r56 s SER 224 CO -0.06 -0.09 1.16 0.00 1.20 0.00 0.00 173.24 175.45 1r56 n ALA 225 N -0.24 2.42 -3.56 5.45 0.00 -1.25 -0.50 120.51 122.83 1r56 n ALA 225 Ca -0.09 -0.80 -0.22 0.00 0.00 0.00 0.00 53.44 52.33 1r56 n ALA 225 Cb 0.59 -0.63 -0.15 0.00 0.00 0.00 0.00 19.45 19.26 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 -1.36 1.76 0.32 0.00 0.15 -1.26 -4.48 113.70 108.84 1r56 s SER 226 Ca 0.25 -0.35 0.01 0.00 0.70 0.00 0.00 55.95 56.57 1r56 s SER 226 Cb 0.16 0.07 0.55 0.00 -1.71 0.00 0.00 66.02 65.10 1r56 s SER 226 CO 0.23 -0.33 1.93 0.58 1.20 0.00 0.00 173.24 176.85 1r56 h VAL 227 N 6.37 1.19 -0.79 4.45 2.07 -1.90 -2.14 116.25 125.49 1r56 h VAL 227 Ca -0.16 -0.54 0.09 0.00 0.82 0.00 0.00 66.70 66.91 1r56 h VAL 227 Cb 1.15 0.48 -0.07 0.00 -1.52 0.00 0.00 31.29 31.33 1r56 h VAL 227 CO 0.27 0.22 0.45 1.56 0.02 0.00 0.00 177.57 180.09 1r56 h GLN 228 N 0.79 0.75 -0.03 1.57 7.50 -2.00 -1.39 115.11 122.31 1r56 h GLN 228 Ca 0.20 -0.05 -0.19 0.00 0.50 0.00 0.00 58.65 59.11 1r56 h GLN 228 Cb 0.09 -0.17 -0.01 0.00 0.05 0.00 0.00 27.48 27.45 1r56 h GLN 228 CO -0.03 0.50 -0.81 0.00 -1.50 0.00 0.00 178.83 176.99 1r56 h ALA 229 N 1.43 0.54 -0.30 3.87 0.00 -1.83 -2.72 119.26 120.26 1r56 h ALA 229 Ca 0.37 -0.66 -0.01 0.00 0.00 0.00 0.00 54.91 54.61 1r56 h ALA 229 Cb 0.31 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1r56 h ALA 229 CO -0.23 0.82 0.15 1.15 0.00 0.00 0.00 179.25 181.14 1r56 h THR 230 N 0.20 1.15 0.00 0.00 2.02 -0.88 -2.66 112.91 112.74 1r56 h THR 230 Ca -0.04 -0.41 -0.03 0.00 0.77 0.00 0.00 66.41 66.69 1r56 h THR 230 Cb 1.41 0.88 -0.00 0.00 -1.74 0.00 0.00 68.15 68.69 1r56 h THR 230 CO 0.13 0.15 -0.15 0.00 0.37 0.00 0.00 175.52 176.02 1r56 h MET 231 N 0.35 0.00 -0.13 6.66 -0.00 -1.12 -2.08 114.93 118.61 1r56 h MET 231 Ca 0.10 0.00 -0.23 0.00 -0.00 0.00 0.00 59.70 59.58 1r56 h MET 231 Cb 0.11 0.00 0.01 0.00 -0.00 0.00 0.00 31.60 31.72 1r56 h MET 231 CO -0.01 0.15 -0.80 -0.92 -0.00 0.00 0.00 176.91 175.33 1r56 h TYR 232 N 0.00 1.06 -0.59 -0.10 3.20 -1.39 -2.22 116.97 116.92 1r56 h TYR 232 Ca -0.00 -0.48 -0.02 0.00 3.14 0.00 0.00 58.73 61.37 1r56 h TYR 232 Cb 0.31 -0.16 -0.03 0.00 1.54 0.00 0.00 36.73 38.39 1r56 h TYR 232 CO 0.00 1.31 0.29 0.87 -1.64 0.00 0.00 178.16 179.00 1r56 h LYS 233 N 0.50 0.85 -0.42 1.82 1.57 -1.10 0.10 116.57 119.88 1r56 h LYS 233 Ca -0.06 -0.12 0.04 0.00 -1.87 0.00 0.00 60.65 58.64 1r56 h LYS 233 Cb 1.43 -0.16 -0.04 0.00 0.08 0.00 0.00 32.23 33.55 1r56 h LYS 233 CO 0.16 0.68 0.18 0.52 -0.57 0.00 0.00 179.45 180.43 1r56 h MET 234 N 0.81 0.36 -0.51 3.15 2.86 -1.31 -2.86 114.93 117.44 1r56 h MET 234 Ca 0.20 -0.02 -0.11 0.00 -2.06 0.00 0.00 59.70 57.71 1r56 h MET 234 Cb 0.11 -0.08 -0.02 0.00 0.06 0.00 0.00 31.60 31.67 1r56 h MET 234 CO -0.03 0.24 -0.13 0.00 1.06 0.00 0.00 176.91 178.05 1r56 h ALA 235 N 1.25 0.80 -0.86 6.32 0.00 -0.67 -2.63 119.26 123.48 1r56 h ALA 235 Ca 0.19 -0.36 0.02 0.00 0.00 0.00 0.00 54.91 54.76 1r56 h ALA 235 Cb 0.13 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.69 1r56 h ALA 235 CO -0.16 0.66 0.56 0.93 0.00 0.00 0.00 179.25 181.24 1r56 h GLU 236 N 0.85 1.10 -0.22 0.00 5.08 -0.80 -1.80 114.58 118.81 1r56 h GLU 236 Ca 0.13 -0.07 -0.14 0.00 -1.00 0.00 0.00 59.36 58.28 1r56 h GLU 236 Cb 0.69 -0.25 -0.01 0.00 0.50 0.00 0.00 28.75 29.68 1r56 h GLU 236 CO 0.05 0.73 -0.45 1.96 -1.00 0.00 0.00 179.01 180.30 1r56 h GLN 237 N 1.14 0.54 -0.40 2.33 4.20 -1.29 -1.96 115.11 119.66 1r56 h GLN 237 Ca 0.32 -0.30 -0.08 0.00 0.06 0.00 0.00 58.65 58.65 1r56 h GLN 237 Cb -0.10 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 27.69 1r56 h GLN 237 CO -0.08 0.89 -0.08 0.82 -0.67 0.00 0.00 178.83 179.71 1r56 h ILE 238 N 0.44 1.27 -0.05 2.54 2.04 -1.11 -2.12 117.51 120.52 1r56 h ILE 238 Ca 0.03 -1.16 -0.06 0.00 1.00 0.00 0.00 64.86 64.67 1r56 h ILE 238 Cb 0.96 1.20 -0.01 0.00 -0.74 0.00 0.00 36.82 38.23 1r56 h ILE 238 CO 0.09 0.39 -0.26 -0.07 0.00 0.00 0.00 178.15 178.30 1r56 h LEU 239 N 0.59 0.08 -0.89 1.44 3.38 -1.25 -2.27 115.31 116.39 1r56 h LEU 239 Ca 0.10 -0.02 -0.10 0.00 0.09 0.00 0.00 57.88 57.95 1r56 h LEU 239 Cb 0.60 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.31 1r56 h LEU 239 CO 0.04 0.34 -0.49 0.00 0.09 0.00 0.00 178.44 178.42 1r56 h ALA 240 N 1.67 1.02 -0.01 1.53 0.00 -1.03 -3.27 119.26 119.18 1r56 h ALA 240 Ca 0.01 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 54.47 1r56 h ALA 240 Cb 0.50 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1r56 h ALA 240 CO 0.04 0.61 -0.48 0.54 0.00 0.00 0.00 179.25 179.96 1r56 n ARG 241 N -3.71 0.52 -3.36 0.00 1.74 -0.83 -4.74 116.66 106.28 1r56 n ARG 241 Ca -0.01 -0.35 -0.13 0.00 -0.77 0.00 0.00 57.85 56.59 1r56 n ARG 241 Cb 0.55 -1.49 -0.08 0.00 -1.02 0.00 0.00 32.46 30.42 1r56 n ARG 241 CO 0.00 0.00 0.00 -1.14 -1.52 0.00 0.00 177.63 174.97 1r56 s GLN 242 N -2.72 0.36 0.52 5.56 2.00 -1.06 -5.02 119.66 119.29 1r56 s GLN 242 Ca 0.17 0.01 0.26 0.00 -2.00 0.00 0.00 55.36 53.80 1r56 s GLN 242 Cb 0.18 -0.51 1.43 0.00 0.80 0.00 0.00 33.01 34.91 1r56 s GLN 242 CO 0.63 -1.01 2.09 0.37 -0.50 0.00 0.00 175.29 176.88 1r56 h GLN 243 N 8.22 0.00 0.00 1.67 5.75 -1.85 -2.70 115.11 126.20 1r56 h GLN 243 Ca -0.12 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.38 1r56 h GLN 243 Cb 1.10 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.65 1r56 h GLN 243 CO 0.30 0.11 0.00 1.28 -2.65 0.00 0.00 178.83 177.87 1r56 n LEU 244 N -3.78 0.00 -4.78 -2.39 4.32 -1.26 -4.72 117.00 104.39 1r56 n LEU 244 Ca -0.02 0.32 -0.39 0.00 -0.02 0.00 0.00 56.01 55.90 1r56 n LEU 244 Cb 0.22 -0.32 -0.06 0.00 -1.62 0.00 0.00 43.42 41.64 1r56 n LEU 244 CO 0.31 -0.07 0.25 -0.63 -1.22 0.00 0.00 177.39 176.02 1r56 s ILE 245 N -2.63 4.93 -0.22 -0.08 -1.09 -1.02 -0.34 121.20 120.75 1r56 s ILE 245 Ca 0.21 1.15 -0.03 0.00 -2.23 0.00 0.00 60.65 59.75 1r56 s ILE 245 Cb 0.16 -3.88 -0.19 0.00 -1.58 0.00 0.00 42.46 36.96 1r56 s ILE 245 CO 0.36 0.45 -0.04 -0.62 -1.23 0.00 0.00 174.94 173.86 1r56 n GLU 246 N 2.55 0.68 -3.85 2.79 1.02 -0.10 -4.85 120.64 118.88 1r56 n GLU 246 Ca -0.08 0.21 -0.11 0.00 -0.02 0.00 0.00 57.16 57.15 1r56 n GLU 246 Cb 0.51 -1.58 -0.09 0.00 -0.02 0.00 0.00 31.44 30.26 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 -2.53 0.10 -0.06 2.62 -4.23 -1.22 -4.03 115.64 106.30 1r56 s THR 247 Ca -0.31 -0.83 0.06 0.00 -1.18 0.00 0.00 61.69 59.43 1r56 s THR 247 Cb 0.09 -0.78 -0.01 0.00 1.34 0.00 0.00 72.50 73.14 1r56 s THR 247 CO 0.64 -0.46 -0.25 -0.69 -0.54 0.00 0.00 174.62 173.33 1r56 s VAL 248 N -2.20 2.07 -0.07 2.29 1.01 -0.70 -1.19 120.40 121.61 1r56 s VAL 248 Ca -0.08 -1.06 0.04 0.00 0.00 0.00 0.00 61.98 60.87 1r56 s VAL 248 Cb -0.03 -1.74 0.00 0.00 0.00 0.00 0.00 36.38 34.61 1r56 s VAL 248 CO -0.02 0.57 -0.18 -0.70 0.00 0.00 0.00 175.10 174.77 1r56 s GLU 249 N -0.17 2.26 0.05 2.72 2.12 0.45 -0.74 118.70 125.39 1r56 s GLU 249 Ca -0.03 -0.65 0.08 0.00 0.36 0.00 0.00 54.97 54.72 1r56 s GLU 249 Cb -0.14 -1.81 -0.03 0.00 0.26 0.00 0.00 34.13 32.41 1r56 s GLU 249 CO 0.04 0.15 -0.21 0.71 -0.54 0.00 0.00 175.26 175.40 1r56 s TYR 250 N 0.37 2.46 -0.17 5.30 2.02 -0.45 -0.98 117.35 125.91 1r56 s TYR 250 Ca -0.13 -0.32 -0.04 0.00 -0.37 0.00 0.00 57.07 56.21 1r56 s TYR 250 Cb -0.16 -1.43 0.06 0.00 -0.40 0.00 0.00 41.96 40.03 1r56 s TYR 250 CO 0.05 0.21 0.06 0.45 -1.57 0.00 0.00 175.55 174.76 1r56 s SER 251 N -1.41 2.47 -0.33 2.29 0.15 -0.50 -2.21 113.70 114.15 1r56 s SER 251 Ca 0.14 -0.63 -0.01 0.00 0.70 0.00 0.00 55.95 56.15 1r56 s SER 251 Cb -0.10 -0.41 0.07 0.00 -1.71 0.00 0.00 66.02 63.87 1r56 s SER 251 CO 0.04 -0.31 0.05 -0.76 1.20 0.00 0.00 173.24 173.46 1r56 s LEU 252 N 2.00 4.31 -0.63 3.45 1.43 0.11 -2.29 118.68 127.06 1r56 s LEU 252 Ca 0.01 -1.55 -0.23 0.00 -1.03 0.00 0.00 54.13 51.33 1r56 s LEU 252 Cb -0.16 -1.73 0.06 0.00 0.03 0.00 0.00 46.19 44.39 1r56 s LEU 252 CO -0.08 -0.34 0.96 -2.84 0.23 0.00 0.00 176.35 174.28 1r56 s PRO 253 N 1.19 3.17 0.90 1.29 0.02 -1.23 -1.66 135.00 138.67 1r56 s PRO 253 Ca -0.00 -0.66 -0.11 0.00 0.02 0.00 0.00 61.00 60.24 1r56 s PRO 253 Cb -0.20 -4.18 0.12 0.00 0.02 0.00 0.00 34.50 30.26 1r56 s PRO 253 CO -0.03 -1.73 1.05 0.09 -0.33 0.00 0.00 177.00 176.06 1r56 n ASN 254 N 7.68 0.13 -3.80 2.53 4.13 0.71 -2.13 115.26 124.51 1r56 n ASN 254 Ca -0.02 0.44 -0.26 0.00 1.68 0.00 0.00 54.58 56.42 1r56 n ASN 254 Cb 0.46 -1.45 -0.17 0.00 -1.54 0.00 0.00 39.78 37.09 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 -4.38 0.89 0.17 3.52 1.02 0.24 -4.34 119.74 116.87 1r56 s LYS 255 Ca 0.67 -0.20 -0.17 0.00 0.02 0.00 0.00 55.97 56.29 1r56 s LYS 255 Cb -0.24 -1.56 -0.07 0.00 -0.52 0.00 0.00 37.83 35.44 1r56 s LYS 255 CO 0.58 -0.41 0.62 -1.01 -0.92 0.00 0.00 175.35 174.20 1r56 s HIS 256 N 1.84 3.63 -0.19 3.18 3.76 -1.26 -4.14 115.29 122.11 1r56 s HIS 256 Ca 0.03 1.20 0.00 0.00 -0.15 0.00 0.00 55.06 56.14 1r56 s HIS 256 Cb -0.14 -2.47 0.04 0.00 1.11 0.00 0.00 32.58 31.12 1r56 s HIS 256 CO -0.07 0.40 -0.09 0.71 -0.85 0.00 0.00 174.74 174.85 1r56 s TYR 257 N -1.47 2.16 0.09 1.40 1.51 -1.26 -0.46 117.35 119.32 1r56 s TYR 257 Ca 0.39 -1.41 -0.10 0.00 -1.01 0.00 0.00 57.07 54.95 1r56 s TYR 257 Cb -0.16 -1.52 -0.06 0.00 -0.11 0.00 0.00 41.96 40.11 1r56 s TYR 257 CO 0.20 -0.70 0.41 -0.06 -1.11 0.00 0.00 175.55 174.29 1r56 s PHE 258 N 1.48 3.58 0.62 2.71 0.40 -0.73 -4.85 117.98 121.19 1r56 s PHE 258 Ca -0.00 0.80 -0.16 0.00 -0.60 0.00 0.00 56.93 56.96 1r56 s PHE 258 Cb -0.16 -2.17 -0.02 0.00 0.51 0.00 0.00 43.02 41.19 1r56 s PHE 258 CO -0.08 0.51 1.12 -1.21 0.70 0.00 0.00 175.22 176.25 1r56 s GLU 259 N -1.95 2.98 -0.23 0.44 2.02 -1.26 -0.77 118.70 119.92 1r56 s GLU 259 Ca 0.34 1.46 0.01 0.00 0.02 0.00 0.00 54.97 56.80 1r56 s GLU 259 Cb -0.14 -1.97 0.05 0.00 0.10 0.00 0.00 34.13 32.18 1r56 s GLU 259 CO 0.18 -1.12 -0.09 0.42 0.02 0.00 0.00 175.26 174.67 1r56 s ILE 260 N -2.17 1.77 -0.14 -1.63 1.01 -1.26 -4.78 121.20 114.00 1r56 s ILE 260 Ca 0.69 -1.26 -0.29 0.00 0.00 0.00 0.00 60.65 59.79 1r56 s ILE 260 Cb -0.21 -1.91 -0.03 0.00 0.01 0.00 0.00 42.46 40.32 1r56 s ILE 260 CO 0.37 0.03 1.47 -0.62 0.00 0.00 0.00 174.94 176.19 1r56 s ASP 261 N 1.31 6.73 0.00 3.58 2.15 -1.26 -4.60 116.67 124.59 1r56 s ASP 261 Ca -0.05 1.85 0.08 0.00 0.43 0.00 0.00 52.55 54.87 1r56 s ASP 261 Cb -0.18 -2.54 0.23 0.00 -0.30 0.00 0.00 42.92 40.13 1r56 s ASP 261 CO -0.07 -0.92 1.17 0.18 -0.17 0.00 0.00 175.17 175.36 1r56 n LEU 262 N 7.16 2.65 -0.03 -1.34 4.77 -1.26 -4.72 117.00 124.23 1r56 n LEU 262 Ca 0.16 -1.94 0.14 0.00 -0.03 0.00 0.00 56.01 54.34 1r56 n LEU 262 Cb 0.44 -0.17 0.56 0.00 -2.33 0.00 0.00 43.42 41.92 1r56 n LEU 262 CO 0.60 0.66 1.18 0.77 -1.33 0.00 0.00 177.39 179.27 1r56 h SER 263 N 1.57 0.25 0.00 -1.43 4.64 -1.70 0.18 113.55 117.05 1r56 h SER 263 Ca 0.00 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 1r56 h SER 263 Cb 0.66 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 62.70 1r56 h SER 263 CO 0.00 0.15 0.00 -2.67 -0.87 0.00 0.00 176.83 173.44 1r56 n TRP 264 N -4.46 0.15 -3.84 4.77 4.27 -1.26 -1.25 117.44 115.83 1r56 n TRP 264 Ca 0.09 0.08 -0.35 0.00 -3.89 0.00 0.00 57.50 53.43 1r56 n TRP 264 Cb 0.41 -0.62 -0.12 0.00 -1.36 0.00 0.00 31.31 29.61 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 -3.11 3.63 -1.57 -2.67 5.04 0.61 -4.67 115.29 112.55 1r56 s HIS 265 Ca -0.00 -2.57 -0.16 0.00 -1.54 0.00 0.00 55.06 50.78 1r56 s HIS 265 Cb 0.01 -3.15 0.14 0.00 0.04 0.00 0.00 32.58 29.62 1r56 s HIS 265 CO 0.04 -0.97 0.71 1.63 -2.34 0.00 0.00 174.74 173.81 1r56 n LYS 266 N 4.49 -3.22 -2.61 2.88 5.02 -1.26 -0.91 118.16 122.56 1r56 n LYS 266 Ca -0.00 0.38 -0.13 0.00 -2.02 0.00 0.00 58.31 56.54 1r56 n LYS 266 Cb 0.41 -5.11 -0.00 0.00 -0.02 0.00 0.00 35.03 30.31 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 -1.31 -0.50 3.72 0.72 0.00 -0.38 -4.89 105.19 102.55 1r56 n GLY 267 Ca 0.06 0.02 -0.43 0.00 0.00 0.00 0.00 46.02 45.67 1r56 n GLY 267 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1r56 n LEU 268 N -2.93 4.00 -4.38 0.99 7.94 -0.09 -4.80 117.00 117.73 1r56 n LEU 268 Ca -0.11 1.14 -0.38 0.00 -1.11 0.00 0.00 56.01 55.55 1r56 n LEU 268 Cb 0.59 -1.55 -0.12 0.00 0.53 0.00 0.00 43.42 42.87 1r56 n LEU 268 CO 0.21 -0.01 -0.23 -1.10 -1.11 0.00 0.00 177.39 175.14 1r56 s GLN 269 N -0.31 3.10 0.00 1.96 -1.52 -1.26 -1.92 119.66 119.70 1r56 s GLN 269 Ca 0.66 -0.87 0.09 0.00 -1.95 0.00 0.00 55.36 53.29 1r56 s GLN 269 Cb -0.54 -3.50 0.15 0.00 -0.22 0.00 0.00 33.01 28.90 1r56 s GLN 269 CO 0.47 -0.49 1.05 -1.71 -0.25 0.00 0.00 175.29 174.37 1r56 n ASN 270 N 4.92 0.34 -4.44 5.90 5.15 -1.26 -4.73 115.26 121.14 1r56 n ASN 270 Ca -0.14 -1.99 -0.23 0.00 -0.60 0.00 0.00 54.58 51.62 1r56 n ASN 270 Cb 0.48 -0.23 -0.10 0.00 -0.53 0.00 0.00 39.78 39.40 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 0.00 2.32 0.00 -0.44 -4.23 -1.26 -3.63 115.64 108.40 1r56 s THR 271 Ca 0.12 -2.33 0.00 0.00 -1.18 0.00 0.00 61.69 58.30 1r56 s THR 271 Cb 0.14 -2.23 0.00 0.00 1.34 0.00 0.00 72.50 71.75 1r56 s THR 271 CO -0.06 -0.41 0.00 0.61 -0.54 0.00 0.00 174.62 174.22 1r56 n GLY 272 N -0.48 2.67 0.29 3.99 0.00 -1.26 -1.64 105.19 108.76 1r56 n GLY 272 Ca -0.06 -0.28 0.14 0.00 0.00 0.00 0.00 46.02 45.82 1r56 n GLY 272 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1r56 h LYS 273 N 0.00 0.00 -0.02 1.61 1.57 -1.98 0.40 116.57 118.15 1r56 h LYS 273 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1r56 h LYS 273 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 1r56 h LYS 273 CO 0.00 0.00 -0.19 0.09 -0.57 0.00 0.00 179.45 178.78 1r56 n ASN 274 N -2.68 2.29 -4.62 0.86 4.13 -0.65 -4.97 115.26 109.61 1r56 n ASN 274 Ca -0.02 -1.66 -0.45 0.00 1.68 0.00 0.00 54.58 54.13 1r56 n ASN 274 Cb 0.30 0.18 -0.04 0.00 -1.54 0.00 0.00 39.78 38.69 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 0.53 1.46 -0.00 5.41 0.00 0.14 -4.32 120.51 123.74 1r56 n ALA 275 Ca 0.13 0.03 -0.01 0.00 0.00 0.00 0.00 53.44 53.59 1r56 n ALA 275 Cb 0.50 -2.72 -0.00 0.00 0.00 0.00 0.00 19.45 17.23 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 7.87 0.02 -3.96 0.00 1.02 -1.26 -4.96 120.64 119.37 1r56 n GLU 276 Ca 0.26 0.01 -0.35 0.00 -0.02 0.00 0.00 57.16 57.06 1r56 n GLU 276 Cb 0.38 -0.82 -0.11 0.00 -0.02 0.00 0.00 31.44 30.88 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 -2.02 4.66 0.34 2.62 1.01 -1.26 -5.11 120.40 120.64 1r56 s VAL 277 Ca -0.01 -0.07 0.08 0.00 0.00 0.00 0.00 61.98 61.98 1r56 s VAL 277 Cb 0.00 -3.12 -0.07 0.00 0.00 0.00 0.00 36.38 33.20 1r56 s VAL 277 CO 0.02 0.43 -0.06 -0.36 0.00 0.00 0.00 175.10 175.12 1r56 s PHE 278 N 0.71 2.29 -0.35 5.22 0.40 -1.26 -4.02 117.98 120.97 1r56 s PHE 278 Ca 0.03 -0.60 -0.03 0.00 -0.60 0.00 0.00 56.93 55.73 1r56 s PHE 278 Cb -0.13 -1.38 0.07 0.00 0.51 0.00 0.00 43.02 42.09 1r56 s PHE 278 CO 0.02 0.46 0.10 0.00 0.70 0.00 0.00 175.22 176.50 1r56 s ALA 279 N -2.76 2.99 0.22 5.36 0.00 0.05 -4.93 121.76 122.69 1r56 s ALA 279 Ca 0.32 -2.03 -0.30 0.00 0.00 0.00 0.00 51.96 49.95 1r56 s ALA 279 Cb 0.04 -2.19 -0.10 0.00 0.00 0.00 0.00 23.12 20.87 1r56 s ALA 279 CO 0.16 -1.48 1.47 -2.14 0.00 0.00 0.00 175.76 173.77 1r56 s PRO 280 N 1.25 4.26 -0.16 0.00 0.02 -1.26 -1.78 135.00 137.33 1r56 s PRO 280 Ca 0.00 2.31 -0.08 0.00 0.02 0.00 0.00 61.00 63.25 1r56 s PRO 280 Cb -0.21 -3.13 -0.04 0.00 0.02 0.00 0.00 34.50 31.14 1r56 s PRO 280 CO -0.01 -0.47 0.11 -0.65 -0.33 0.00 0.00 177.00 175.65 1r56 s GLN 281 N 0.05 3.81 0.13 5.54 -1.52 0.39 -4.94 119.66 123.11 1r56 s GLN 281 Ca 0.62 -0.22 -0.07 0.00 -1.95 0.00 0.00 55.36 53.74 1r56 s GLN 281 Cb -0.42 -3.26 -0.09 0.00 -0.22 0.00 0.00 33.01 29.03 1r56 s GLN 281 CO 0.40 0.49 1.32 0.77 -0.25 0.00 0.00 175.29 178.02 1r56 h SER 282 N 5.98 0.66 -5.01 5.90 0.02 -1.94 -3.39 113.55 115.76 1r56 h SER 282 Ca -0.46 -0.48 0.01 0.00 -0.84 0.00 0.00 61.79 60.02 1r56 h SER 282 Cb 1.18 -0.20 -0.09 0.00 0.14 0.00 0.00 62.40 63.44 1r56 h SER 282 CO 0.67 1.27 0.19 1.51 -1.14 0.00 0.00 176.83 179.32 1r56 s ASP 283 N -7.09 -0.40 1.01 3.07 1.47 -1.26 -4.87 116.67 108.60 1r56 s ASP 283 Ca -0.07 -0.31 -0.02 0.00 1.18 0.00 0.00 52.55 53.33 1r56 s ASP 283 Cb 0.09 0.65 0.02 0.00 -0.34 0.00 0.00 42.92 43.34 1r56 s ASP 283 CO 0.88 -1.13 0.11 -0.81 0.68 0.00 0.00 175.17 174.89 1r56 n PRO 284 N -0.40 -0.69 -3.75 2.11 -0.04 -1.26 -5.09 135.00 125.87 1r56 n PRO 284 Ca -0.11 -0.17 -0.13 0.00 -0.04 0.00 0.00 63.50 63.05 1r56 n PRO 284 Cb 0.62 -0.13 -0.10 0.00 -0.04 0.00 0.00 33.50 33.85 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 -1.60 -0.30 0.35 3.54 4.22 -1.26 -4.74 114.94 115.14 1r56 s ASN 285 Ca 0.06 0.47 -0.28 0.00 -2.14 0.00 0.00 52.86 50.97 1r56 s ASN 285 Cb -0.00 0.56 -0.11 0.00 1.28 0.00 0.00 41.25 42.98 1r56 s ASN 285 CO 0.05 -0.26 1.38 -0.83 -2.04 0.00 0.00 177.10 175.40 1r56 s GLY 286 N -0.43 2.97 -0.11 0.45 0.00 -1.26 -4.84 107.32 104.09 1r56 s GLY 286 Ca -0.06 1.39 0.00 0.00 0.00 0.00 0.00 44.72 46.06 1r56 s GLY 286 CO 0.02 2.06 -0.10 -2.27 0.00 0.00 0.00 173.10 172.81 1r56 s LEU 287 N -1.91 1.39 -0.10 0.66 2.96 -1.26 -0.21 118.68 120.22 1r56 s LEU 287 Ca 0.51 -0.35 0.02 0.00 -0.22 0.00 0.00 54.13 54.08 1r56 s LEU 287 Cb -0.43 -0.93 0.01 0.00 0.50 0.00 0.00 46.19 45.34 1r56 s LEU 287 CO 0.57 -0.08 -0.15 -0.63 -1.32 0.00 0.00 176.35 174.74 1r56 s ILE 288 N 1.47 1.48 0.20 6.68 1.01 -0.67 -4.97 121.20 126.41 1r56 s ILE 288 Ca 0.02 -0.65 0.10 0.00 0.00 0.00 0.00 60.65 60.12 1r56 s ILE 288 Cb -0.13 -1.35 -0.04 0.00 0.01 0.00 0.00 42.46 40.94 1r56 s ILE 288 CO -0.07 0.44 -0.19 -0.54 0.00 0.00 0.00 174.94 174.57 1r56 s LYS 289 N 0.88 1.41 -0.13 2.79 1.02 -1.26 -0.71 119.74 123.74 1r56 s LYS 289 Ca -0.09 -1.52 -0.30 0.00 0.02 0.00 0.00 55.97 54.08 1r56 s LYS 289 Cb -0.15 -1.50 0.10 0.00 -0.52 0.00 0.00 37.83 35.75 1r56 s LYS 289 CO 0.00 0.30 0.85 0.00 -0.92 0.00 0.00 175.35 175.58 1r56 s THR 291 N -0.93 2.21 -0.08 0.00 2.01 -1.26 -1.34 115.64 116.26 1r56 s THR 291 Ca -0.05 -0.99 0.00 0.00 0.31 0.00 0.00 61.69 60.97 1r56 s THR 291 Cb -0.01 -1.98 -0.03 0.00 0.01 0.00 0.00 72.50 70.49 1r56 s THR 291 CO 0.04 0.45 -0.07 -0.69 -0.69 0.00 0.00 174.62 173.67 1r56 s VAL 292 N 1.29 3.69 0.00 3.82 1.01 0.08 -4.98 120.40 125.30 1r56 s VAL 292 Ca 0.03 -0.48 0.00 0.00 0.00 0.00 0.00 61.98 61.53 1r56 s VAL 292 Cb -0.14 -2.52 0.00 0.00 0.00 0.00 0.00 36.38 33.72 1r56 s VAL 292 CO -0.11 0.59 0.00 0.61 0.00 0.00 0.00 175.10 176.19 1r56 n GLY 293 N 2.40 5.59 3.79 4.51 0.00 -1.26 -1.71 105.19 118.50 1r56 n GLY 293 Ca -0.18 -1.90 -0.37 0.00 0.00 0.00 0.00 46.02 43.57 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 -0.41 4.02 0.00 1.61 0.52 -1.26 -5.03 118.95 118.41 1r56 s ARG 294 Ca 0.00 0.16 0.00 0.00 -0.52 0.00 0.00 55.73 55.37 1r56 s ARG 294 Cb 0.00 -3.33 0.00 0.00 0.52 0.00 0.00 34.95 32.14 1r56 s ARG 294 CO 0.00 0.46 0.33 0.43 0.02 0.00 0.00 175.30 176.54