#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 5.15 0.02 0.00 1.01 -1.26 -4.94 120.40 120.38 1r56 s VAL 3 Ca 0.00 -1.04 0.01 0.00 0.00 0.00 0.00 61.98 60.95 1r56 s VAL 3 Cb 0.00 -4.05 -0.26 0.00 0.00 0.00 0.00 36.38 32.07 1r56 s VAL 3 CO 0.00 -0.54 0.93 0.11 0.00 0.00 0.00 175.10 175.60 1r56 h LYS 4 N 8.71 0.17 -2.88 2.72 1.57 -2.07 -3.47 116.57 121.33 1r56 h LYS 4 Ca -0.28 -0.30 -0.12 0.00 -1.87 0.00 0.00 60.65 58.09 1r56 h LYS 4 Cb 1.11 0.11 -0.22 0.00 0.08 0.00 0.00 32.23 33.31 1r56 h LYS 4 CO 0.85 1.02 -0.24 0.00 -0.57 0.00 0.00 179.45 180.51 1r56 s ALA 5 N -2.63 -0.91 -0.15 3.86 0.00 -1.26 -5.16 121.76 115.51 1r56 s ALA 5 Ca -0.06 0.71 -0.13 0.00 0.00 0.00 0.00 51.96 52.48 1r56 s ALA 5 Cb 0.08 -0.23 0.04 0.00 0.00 0.00 0.00 23.12 23.00 1r56 s ALA 5 CO 0.85 -0.23 0.39 0.00 0.00 0.00 0.00 175.76 176.76 1r56 s ALA 6 N -0.66 -0.96 0.06 0.00 0.00 -1.26 -5.16 121.76 113.78 1r56 s ALA 6 Ca -0.08 1.14 -0.08 0.00 0.00 0.00 0.00 51.96 52.95 1r56 s ALA 6 Cb -0.04 -0.67 -0.00 0.00 0.00 0.00 0.00 23.12 22.41 1r56 s ALA 6 CO 0.03 -0.19 0.17 1.03 0.00 0.00 0.00 175.76 176.79 1r56 s ARG 7 N 0.37 0.74 -0.03 0.00 0.52 -1.26 -4.63 118.95 114.65 1r56 s ARG 7 Ca -0.01 -0.81 -0.29 0.00 -0.52 0.00 0.00 55.73 54.10 1r56 s ARG 7 Cb -0.04 0.30 0.10 0.00 0.52 0.00 0.00 34.95 35.84 1r56 s ARG 7 CO -0.01 -0.21 0.87 1.52 0.02 0.00 0.00 175.30 177.49 1r56 s TYR 8 N -3.16 -0.38 -2.57 -0.53 1.13 -1.04 -4.93 117.35 105.86 1r56 s TYR 8 Ca -0.00 0.36 0.00 0.00 -1.41 0.00 0.00 57.07 56.02 1r56 s TYR 8 Cb 0.02 0.51 0.00 0.00 -1.10 0.00 0.00 41.96 41.39 1r56 s TYR 8 CO -0.07 -0.53 0.00 0.41 -2.51 0.00 0.00 175.55 172.85 1r56 n GLY 9 N 0.01 -0.60 3.09 5.49 0.00 -1.26 0.06 105.19 111.98 1r56 n GLY 9 Ca -0.10 -0.67 -0.30 0.00 0.00 0.00 0.00 46.02 44.95 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 -1.03 2.45 0.35 1.61 2.47 -0.69 -4.87 119.74 120.03 1r56 s LYS 10 Ca 0.00 -0.65 0.07 0.00 -1.56 0.00 0.00 55.97 53.84 1r56 s LYS 10 Cb 0.00 -2.04 -0.02 0.00 -1.46 0.00 0.00 37.83 34.31 1r56 s LYS 10 CO 0.00 -0.04 0.35 0.34 0.16 0.00 0.00 175.35 176.16 1r56 s ASP 11 N 0.91 5.38 -1.43 1.43 2.15 -1.26 -1.85 116.67 121.99 1r56 s ASP 11 Ca -0.07 -0.48 -0.07 0.00 0.43 0.00 0.00 52.55 52.36 1r56 s ASP 11 Cb -0.15 -0.94 0.04 0.00 -0.30 0.00 0.00 42.92 41.58 1r56 s ASP 11 CO -0.01 -0.43 0.80 0.59 -0.17 0.00 0.00 175.17 175.95 1r56 n ASN 12 N -1.47 -2.76 -4.51 -0.34 3.02 -1.17 -4.95 115.26 103.08 1r56 n ASN 12 Ca -0.00 -0.83 -0.43 0.00 -0.03 0.00 0.00 54.58 53.29 1r56 n ASN 12 Cb 0.60 -3.83 -0.06 0.00 -0.61 0.00 0.00 39.78 35.88 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 -3.52 4.74 -0.11 2.41 1.01 -0.83 -4.90 120.40 119.19 1r56 s VAL 13 Ca 0.32 0.09 -0.22 0.00 0.00 0.00 0.00 61.98 62.17 1r56 s VAL 13 Cb -0.16 -4.29 -0.03 0.00 0.00 0.00 0.00 36.38 31.89 1r56 s VAL 13 CO 0.83 -0.73 0.66 -0.13 0.00 0.00 0.00 175.10 175.73 1r56 s ARG 14 N 3.03 4.36 -0.07 2.72 0.52 -1.26 -0.43 118.95 127.82 1r56 s ARG 14 Ca 0.24 0.77 0.01 0.00 -0.52 0.00 0.00 55.73 56.23 1r56 s ARG 14 Cb -0.14 -3.48 0.02 0.00 0.52 0.00 0.00 34.95 31.86 1r56 s ARG 14 CO 0.18 -0.02 -0.09 0.08 0.02 0.00 0.00 175.30 175.48 1r56 s VAL 15 N 1.12 0.93 0.02 3.52 1.01 -0.31 -5.00 120.40 121.69 1r56 s VAL 15 Ca 0.34 -0.31 0.08 0.00 0.00 0.00 0.00 61.98 62.09 1r56 s VAL 15 Cb -0.17 -0.91 -0.02 0.00 0.00 0.00 0.00 36.38 35.28 1r56 s VAL 15 CO 0.15 0.32 -0.25 -0.47 0.00 0.00 0.00 175.10 174.85 1r56 s TYR 16 N 1.08 2.24 -0.04 5.22 6.14 -1.26 -0.88 117.35 129.85 1r56 s TYR 16 Ca -0.07 -0.41 -0.02 0.00 0.64 0.00 0.00 57.07 57.20 1r56 s TYR 16 Cb -0.14 -1.38 0.02 0.00 0.42 0.00 0.00 41.96 40.88 1r56 s TYR 16 CO -0.01 0.06 0.08 0.21 0.64 0.00 0.00 175.55 176.53 1r56 s LYS 17 N -0.97 0.05 0.02 4.97 2.20 -0.30 -4.99 119.74 120.72 1r56 s LYS 17 Ca 0.10 0.21 0.04 0.00 -0.36 0.00 0.00 55.97 55.97 1r56 s LYS 17 Cb -0.10 -0.11 -0.03 0.00 -1.51 0.00 0.00 37.83 36.08 1r56 s LYS 17 CO 0.01 -0.10 -0.09 0.54 -0.36 0.00 0.00 175.35 175.35 1r56 s VAL 18 N 0.68 3.46 -0.19 4.02 0.11 -1.26 -1.02 120.40 126.20 1r56 s VAL 18 Ca -0.05 -0.90 0.01 0.00 -2.93 0.00 0.00 61.98 58.11 1r56 s VAL 18 Cb -0.07 -2.51 0.02 0.00 -1.53 0.00 0.00 36.38 32.29 1r56 s VAL 18 CO -0.03 0.36 -0.19 -2.28 -3.33 0.00 0.00 175.10 169.63 1r56 s HIS 19 N -1.01 2.82 -0.21 1.54 2.46 0.67 -4.98 115.29 116.58 1r56 s HIS 19 Ca 0.17 -1.70 -0.05 0.00 0.47 0.00 0.00 55.06 53.95 1r56 s HIS 19 Cb -0.11 -1.92 -0.02 0.00 -0.13 0.00 0.00 32.58 30.40 1r56 s HIS 19 CO 0.08 -0.82 -0.01 0.15 -2.47 0.00 0.00 174.74 171.67 1r56 s LYS 20 N 1.28 3.51 -0.22 2.88 1.02 -1.26 -0.67 119.74 126.28 1r56 s LYS 20 Ca 0.04 -0.56 -0.25 0.00 0.02 0.00 0.00 55.97 55.22 1r56 s LYS 20 Cb -0.14 -3.08 -0.01 0.00 -0.52 0.00 0.00 37.83 34.09 1r56 s LYS 20 CO -0.12 -0.10 0.82 0.34 -0.92 0.00 0.00 175.35 175.37 1r56 s ASP 21 N 1.28 6.87 0.01 2.83 -1.08 -0.81 -4.95 116.67 120.83 1r56 s ASP 21 Ca 0.04 1.08 -0.25 0.00 -0.52 0.00 0.00 52.55 52.89 1r56 s ASP 21 Cb -0.15 -2.44 -0.19 0.00 -1.46 0.00 0.00 42.92 38.69 1r56 s ASP 21 CO 0.00 -0.47 1.41 -0.33 0.52 0.00 0.00 175.17 176.30 1r56 h GLU 22 N 7.55 -0.03 -0.11 4.34 3.07 -1.95 0.06 114.58 127.52 1r56 h GLU 22 Ca -0.25 0.00 0.01 0.00 -0.50 0.00 0.00 59.36 58.62 1r56 h GLU 22 Cb 1.11 0.01 -0.02 0.00 -0.84 0.00 0.00 28.75 29.00 1r56 h GLU 22 CO 0.86 0.31 -0.12 -0.22 -1.40 0.00 0.00 179.01 178.43 1r56 h LYS 23 N -0.36 -0.07 0.00 2.33 3.64 -1.99 -3.23 116.57 116.89 1r56 h LYS 23 Ca -0.00 0.00 -0.14 0.00 -1.27 0.00 0.00 60.65 59.24 1r56 h LYS 23 Cb 0.34 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.16 1r56 h LYS 23 CO 0.00 -0.05 -0.79 1.79 -2.27 0.00 0.00 179.45 178.13 1r56 h THR 24 N -0.08 0.99 0.00 1.00 1.35 -2.00 -3.48 112.91 110.70 1r56 h THR 24 Ca 0.02 -2.47 0.00 0.00 -0.55 0.00 0.00 66.41 63.41 1r56 h THR 24 Cb 0.13 2.46 0.00 0.00 -1.73 0.00 0.00 68.15 69.00 1r56 h THR 24 CO -0.14 0.57 0.00 0.61 -0.25 0.00 0.00 175.52 176.31 1r56 n GLY 25 N 1.29 0.76 3.65 5.82 0.00 0.01 -5.02 105.19 111.69 1r56 n GLY 25 Ca -0.01 0.00 -0.43 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 -2.87 4.64 -0.01 1.61 1.01 -1.24 -4.78 120.40 118.77 1r56 s VAL 26 Ca 0.00 1.82 -0.05 0.00 0.00 0.00 0.00 61.98 63.76 1r56 s VAL 26 Cb 0.00 -4.32 -0.04 0.00 0.00 0.00 0.00 36.38 32.02 1r56 s VAL 26 CO 0.00 -0.29 0.22 -1.10 0.00 0.00 0.00 175.10 173.93 1r56 s GLN 27 N 3.32 3.50 -0.07 2.72 -0.21 0.49 -1.92 119.66 127.49 1r56 s GLN 27 Ca 0.43 -0.20 0.01 0.00 0.02 0.00 0.00 55.36 55.62 1r56 s GLN 27 Cb -0.14 -3.09 0.02 0.00 1.00 0.00 0.00 33.01 30.80 1r56 s GLN 27 CO 0.10 0.67 -0.08 0.99 -2.12 0.00 0.00 175.29 174.84 1r56 s THR 28 N -1.30 0.90 0.21 -0.19 2.01 0.15 -4.61 115.64 112.81 1r56 s THR 28 Ca 0.27 -0.31 0.07 0.00 0.31 0.00 0.00 61.69 62.04 1r56 s THR 28 Cb -0.13 -0.88 -0.04 0.00 0.01 0.00 0.00 72.50 71.46 1r56 s THR 28 CO 0.17 0.32 0.07 0.68 -0.69 0.00 0.00 174.62 175.16 1r56 s VAL 29 N 1.02 3.97 -0.08 3.82 -7.23 -1.26 -0.24 120.40 120.40 1r56 s VAL 29 Ca -0.08 -1.47 -0.03 0.00 -1.81 0.00 0.00 61.98 58.58 1r56 s VAL 29 Cb -0.15 -3.07 0.04 0.00 0.56 0.00 0.00 36.38 33.77 1r56 s VAL 29 CO -0.00 -0.23 0.17 -0.31 -0.31 0.00 0.00 175.10 174.41 1r56 s TYR 30 N -1.97 -0.20 -0.04 2.82 2.02 -0.19 -4.90 117.35 114.89 1r56 s TYR 30 Ca 0.30 0.59 0.04 0.00 -0.37 0.00 0.00 57.07 57.63 1r56 s TYR 30 Cb -0.08 -0.16 0.00 0.00 -0.40 0.00 0.00 41.96 41.32 1r56 s TYR 30 CO 0.21 -0.23 -0.15 -2.00 -1.57 0.00 0.00 175.55 171.81 1r56 s GLU 31 N 1.80 1.61 0.16 -0.62 2.12 -1.26 -1.15 118.70 121.36 1r56 s GLU 31 Ca -0.03 -0.52 -0.09 0.00 0.36 0.00 0.00 54.97 54.69 1r56 s GLU 31 Cb -0.12 -1.40 -0.01 0.00 0.26 0.00 0.00 34.13 32.86 1r56 s GLU 31 CO -0.06 0.19 0.29 0.00 -0.54 0.00 0.00 175.26 175.14 1r56 s MET 32 N 0.15 1.16 -0.16 4.30 0.23 -0.06 -1.83 119.30 123.09 1r56 s MET 32 Ca -0.05 -1.17 0.01 0.00 -1.03 0.00 0.00 55.69 53.45 1r56 s MET 32 Cb -0.11 0.38 0.02 0.00 -1.53 0.00 0.00 34.83 33.58 1r56 s MET 32 CO 0.02 -0.43 -0.18 0.99 -2.03 0.00 0.00 175.02 173.39 1r56 s THR 33 N -3.97 1.88 -0.10 3.16 2.01 -0.15 -1.17 115.64 117.31 1r56 s THR 33 Ca 0.17 -0.83 -0.01 0.00 0.31 0.00 0.00 61.69 61.33 1r56 s THR 33 Cb 0.03 -1.71 -0.03 0.00 0.01 0.00 0.00 72.50 70.80 1r56 s THR 33 CO -0.00 0.51 -0.05 -0.69 -0.69 0.00 0.00 174.62 173.70 1r56 s VAL 34 N 1.27 3.83 -0.06 3.82 1.01 0.43 -0.89 120.40 129.81 1r56 s VAL 34 Ca 0.03 -0.42 0.03 0.00 0.00 0.00 0.00 61.98 61.62 1r56 s VAL 34 Cb -0.13 -2.61 0.01 0.00 0.00 0.00 0.00 36.38 33.65 1r56 s VAL 34 CO -0.10 0.57 -0.14 0.00 0.00 0.00 0.00 175.10 175.43 1r56 s VAL 36 N 0.50 1.27 -0.10 0.00 1.01 -0.77 0.19 120.40 122.50 1r56 s VAL 36 Ca -0.12 -0.63 0.04 0.00 0.00 0.00 0.00 61.98 61.27 1r56 s VAL 36 Cb -0.15 -1.35 -0.00 0.00 0.00 0.00 0.00 36.38 34.88 1r56 s VAL 36 CO 0.04 0.24 -0.23 -0.76 0.00 0.00 0.00 175.10 174.39 1r56 s LEU 37 N 1.58 2.15 0.14 3.92 1.43 0.55 -1.71 118.68 126.74 1r56 s LEU 37 Ca 0.02 -0.53 0.07 0.00 -1.03 0.00 0.00 54.13 52.65 1r56 s LEU 37 Cb -0.14 -1.42 -0.04 0.00 0.03 0.00 0.00 46.19 44.61 1r56 s LEU 37 CO -0.08 0.17 -0.01 -0.76 0.23 0.00 0.00 176.35 175.89 1r56 s LEU 38 N 0.29 3.32 0.11 1.79 1.43 0.11 0.01 118.68 125.74 1r56 s LEU 38 Ca -0.17 -0.33 0.05 0.00 -1.03 0.00 0.00 54.13 52.65 1r56 s LEU 38 Cb -0.17 -2.02 -0.04 0.00 0.03 0.00 0.00 46.19 43.99 1r56 s LEU 38 CO 0.08 0.13 -0.12 -1.61 0.23 0.00 0.00 176.35 175.06 1r56 s GLU 39 N -2.65 0.94 0.00 1.70 2.02 -0.30 -2.49 118.70 117.91 1r56 s GLU 39 Ca 0.26 -1.19 0.00 0.00 0.02 0.00 0.00 54.97 54.06 1r56 s GLU 39 Cb -0.10 -0.74 0.00 0.00 0.10 0.00 0.00 34.13 33.39 1r56 s GLU 39 CO 0.18 0.13 0.00 0.41 0.02 0.00 0.00 175.26 176.00 1r56 n GLY 40 N 0.58 -0.74 3.10 -1.39 0.00 -1.26 -1.15 105.19 104.33 1r56 n GLY 40 Ca -0.16 -0.24 -0.43 0.00 0.00 0.00 0.00 46.02 45.19 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 3.78 0.00 1.61 1.02 0.98 -4.54 120.64 123.48 1r56 n GLU 41 Ca 0.00 -3.98 0.00 0.00 -0.02 0.00 0.00 57.16 53.16 1r56 n GLU 41 Cb 0.00 -2.80 0.00 0.00 -0.02 0.00 0.00 31.44 28.62 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 3.01 0.45 -0.34 -3.67 -5.35 -1.26 -4.74 119.36 107.46 1r56 n ILE 42 Ca 0.34 -0.65 0.24 0.00 -0.27 0.00 0.00 62.75 62.41 1r56 n ILE 42 Cb 0.37 0.85 0.48 0.00 -1.74 0.00 0.00 39.64 39.60 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 0.33 -0.68 6.28 3.07 -1.99 -0.37 114.58 121.22 1r56 h GLU 43 Ca 0.00 -0.02 0.07 0.00 -0.50 0.00 0.00 59.36 58.91 1r56 h GLU 43 Cb 0.34 -0.07 -0.04 0.00 -0.84 0.00 0.00 28.75 28.14 1r56 h GLU 43 CO 0.00 0.22 0.45 1.79 -1.40 0.00 0.00 179.01 180.07 1r56 h THR 44 N 0.34 0.98 -0.63 1.13 1.35 -1.90 -0.75 112.91 113.43 1r56 h THR 44 Ca 0.72 -0.22 0.09 0.00 -0.55 0.00 0.00 66.41 66.45 1r56 h THR 44 Cb 1.67 0.29 -0.04 0.00 -1.73 0.00 0.00 68.15 68.34 1r56 h THR 44 CO -0.57 0.12 0.42 0.77 -0.25 0.00 0.00 175.52 176.01 1r56 h SER 45 N 0.64 0.46 0.00 5.36 4.64 -1.10 0.76 113.55 124.30 1r56 h SER 45 Ca 0.30 0.01 -0.02 0.00 -0.47 0.00 0.00 61.79 61.61 1r56 h SER 45 Cb 0.34 -0.09 -0.00 0.00 -0.31 0.00 0.00 62.40 62.34 1r56 h SER 45 CO -0.10 0.28 -0.14 1.88 -0.87 0.00 0.00 176.83 177.89 1r56 h TYR 46 N 0.51 0.00 0.00 4.77 -1.99 -1.27 -3.00 116.97 115.99 1r56 h TYR 46 Ca 0.29 0.00 -0.24 0.00 2.00 0.00 0.00 58.73 60.78 1r56 h TYR 46 Cb 0.45 0.00 0.01 0.00 2.00 0.00 0.00 36.73 39.19 1r56 h TYR 46 CO -0.00 0.59 -0.97 1.79 -0.00 0.00 0.00 178.16 179.57 1r56 h THR 47 N -1.00 1.37 -0.01 -2.88 1.35 -1.18 -3.38 112.91 107.18 1r56 h THR 47 Ca -0.03 -2.39 0.00 0.00 -0.55 0.00 0.00 66.41 63.44 1r56 h THR 47 Cb 0.61 2.41 0.00 0.00 -1.73 0.00 0.00 68.15 69.44 1r56 h THR 47 CO -0.02 0.72 -0.09 0.29 -0.25 0.00 0.00 175.52 176.17 1r56 n LYS 48 N -3.78 1.36 -2.49 4.72 4.76 0.25 -4.99 118.16 117.99 1r56 n LYS 48 Ca -0.08 -0.72 -0.18 0.00 -2.87 0.00 0.00 58.31 54.46 1r56 n LYS 48 Cb 0.85 -1.07 0.00 0.00 -1.84 0.00 0.00 35.03 32.97 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 0.02 -0.59 -2.77 7.82 0.00 -0.54 -4.94 120.51 119.51 1r56 n ALA 49 Ca 0.04 0.17 -0.43 0.00 0.00 0.00 0.00 53.44 53.22 1r56 n ALA 49 Cb 0.18 -2.32 -0.04 0.00 0.00 0.00 0.00 19.45 17.27 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 -2.39 6.25 0.00 0.00 2.15 -1.10 -4.90 116.67 116.68 1r56 s ASP 50 Ca 0.07 -0.75 0.24 0.00 0.43 0.00 0.00 52.55 52.55 1r56 s ASP 50 Cb -0.03 -2.39 1.24 0.00 -0.30 0.00 0.00 42.92 41.44 1r56 s ASP 50 CO 0.09 -1.22 1.80 0.59 -0.17 0.00 0.00 175.17 176.26 1r56 n ASN 51 N 7.21 0.00 0.23 -0.34 3.02 -1.26 -3.55 115.26 120.57 1r56 n ASN 51 Ca -0.03 -0.12 0.10 0.00 -0.03 0.00 0.00 54.58 54.50 1r56 n ASN 51 Cb 0.46 -0.26 0.56 0.00 -0.61 0.00 0.00 39.78 39.93 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 0.00 0.00 0.98 6.41 4.64 -2.00 -1.99 113.55 121.59 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 0.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.30 1r56 h SER 52 CO 0.00 0.22 -0.35 1.33 -0.87 0.00 0.00 176.83 177.15 1r56 n VAL 53 N -3.63 0.31 -2.85 0.95 0.24 -1.25 -4.85 118.33 107.25 1r56 n VAL 53 Ca -0.01 -0.19 -0.43 0.00 -2.04 0.00 0.00 64.34 61.67 1r56 n VAL 53 Cb 0.34 -0.23 -0.04 0.00 -1.47 0.00 0.00 33.84 32.44 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 -3.10 4.60 -0.15 1.34 -1.09 -0.75 -4.93 121.20 117.12 1r56 s ILE 54 Ca 0.09 1.00 -0.29 0.00 -2.23 0.00 0.00 60.65 59.22 1r56 s ILE 54 Cb 0.15 -4.32 -0.01 0.00 -1.58 0.00 0.00 42.46 36.69 1r56 s ILE 54 CO 0.66 -0.58 1.13 -0.69 -1.23 0.00 0.00 174.94 174.24 1r56 s VAL 55 N 3.43 4.49 0.32 2.92 1.01 -1.26 -4.99 120.40 126.32 1r56 s VAL 55 Ca 0.36 1.79 -0.29 0.00 0.00 0.00 0.00 61.98 63.84 1r56 s VAL 55 Cb -0.12 -4.15 -0.11 0.00 0.00 0.00 0.00 36.38 32.00 1r56 s VAL 55 CO 0.20 -0.09 1.52 0.00 0.00 0.00 0.00 175.10 176.73 1r56 s ALA 56 N 2.83 3.66 0.26 5.51 0.00 -1.26 -4.88 121.76 127.87 1r56 s ALA 56 Ca 0.51 1.54 -0.01 0.00 0.00 0.00 0.00 51.96 53.99 1r56 s ALA 56 Cb -0.20 -3.62 0.49 0.00 0.00 0.00 0.00 23.12 19.79 1r56 s ALA 56 CO 0.14 -0.97 1.81 1.79 0.00 0.00 0.00 175.76 178.53 1r56 h THR 57 N 3.22 0.88 -0.94 0.00 1.35 -1.94 0.40 112.91 115.88 1r56 h THR 57 Ca -0.48 -0.29 0.19 0.00 -0.55 0.00 0.00 66.41 65.28 1r56 h THR 57 Cb 1.23 -0.04 -0.08 0.00 -1.73 0.00 0.00 68.15 67.53 1r56 h THR 57 CO 0.73 0.15 0.61 -0.78 -0.25 0.00 0.00 175.52 175.97 1r56 h ASP 58 N 0.84 0.56 0.52 5.36 3.58 -1.95 0.51 116.42 125.85 1r56 h ASP 58 Ca 0.45 0.06 -0.18 0.00 0.42 0.00 0.00 57.03 57.78 1r56 h ASP 58 Cb 0.47 -0.04 -0.01 0.00 1.72 0.00 0.00 39.33 41.47 1r56 h ASP 58 CO -0.28 0.22 -0.78 0.28 -2.88 0.00 0.00 179.24 175.80 1r56 h SER 59 N 0.56 0.25 -0.53 2.28 0.02 -0.61 -2.12 113.55 113.39 1r56 h SER 59 Ca 0.51 -0.18 -0.08 0.00 -0.84 0.00 0.00 61.79 61.19 1r56 h SER 59 Cb 1.04 -0.07 -0.02 0.00 0.14 0.00 0.00 62.40 63.48 1r56 h SER 59 CO -0.25 0.93 0.03 0.40 -1.14 0.00 0.00 176.83 176.80 1r56 h ILE 60 N 0.12 1.26 0.07 3.27 2.04 0.10 -0.63 117.51 123.75 1r56 h ILE 60 Ca -0.03 -1.06 -0.00 0.00 1.00 0.00 0.00 64.86 64.77 1r56 h ILE 60 Cb 1.37 0.79 0.00 0.00 -0.74 0.00 0.00 36.82 38.23 1r56 h ILE 60 CO 0.12 0.38 -0.03 0.50 0.00 0.00 0.00 178.15 179.12 1r56 h LYS 61 N 0.89 -0.09 -0.89 2.37 3.64 -0.87 -1.85 116.57 119.78 1r56 h LYS 61 Ca 0.17 0.01 0.07 0.00 -1.27 0.00 0.00 60.65 59.62 1r56 h LYS 61 Cb 0.48 0.02 -0.06 0.00 -0.41 0.00 0.00 32.23 32.26 1r56 h LYS 61 CO 0.02 -0.06 0.55 -0.91 -2.27 0.00 0.00 179.45 176.79 1r56 h ASN 62 N -0.09 0.86 -0.91 4.20 2.35 -1.16 -1.83 115.58 119.00 1r56 h ASN 62 Ca -0.01 0.02 0.05 0.00 -0.55 0.00 0.00 56.30 55.81 1r56 h ASN 62 Cb 0.07 -0.16 -0.05 0.00 0.05 0.00 0.00 38.32 38.23 1r56 h ASN 62 CO 0.02 0.54 0.60 0.74 -1.65 0.00 0.00 177.43 177.68 1r56 h THR 63 N 0.99 1.12 -0.33 2.81 2.02 -0.33 -0.12 112.91 119.08 1r56 h THR 63 Ca 0.39 -0.38 -0.02 0.00 0.77 0.00 0.00 66.41 67.17 1r56 h THR 63 Cb 0.20 -0.08 -0.01 0.00 -1.74 0.00 0.00 68.15 66.51 1r56 h THR 63 CO -0.18 0.20 0.13 0.40 0.37 0.00 0.00 175.52 176.44 1r56 h ILE 64 N 1.11 1.18 -0.27 3.11 2.04 -0.68 0.38 117.51 124.38 1r56 h ILE 64 Ca 0.37 -0.56 -0.02 0.00 1.00 0.00 0.00 64.86 65.65 1r56 h ILE 64 Cb 0.08 0.94 -0.01 0.00 -0.74 0.00 0.00 36.82 37.09 1r56 h ILE 64 CO -0.12 0.20 0.10 1.88 0.00 0.00 0.00 178.15 180.20 1r56 h TYR 65 N 0.39 0.42 -0.26 1.37 0.05 -1.10 0.39 116.97 118.22 1r56 h TYR 65 Ca 0.11 -0.04 -0.02 0.00 0.05 0.00 0.00 58.73 58.83 1r56 h TYR 65 Cb 0.18 -0.13 -0.01 0.00 1.01 0.00 0.00 36.73 37.79 1r56 h TYR 65 CO -0.00 0.44 0.07 0.82 -1.05 0.00 0.00 178.16 178.44 1r56 h ILE 66 N 0.29 1.21 -0.78 -2.88 2.04 -0.94 -0.15 117.51 116.29 1r56 h ILE 66 Ca 0.09 -0.67 -0.02 0.00 1.00 0.00 0.00 64.86 65.26 1r56 h ILE 66 Cb 0.20 1.15 -0.04 0.00 -0.74 0.00 0.00 36.82 37.39 1r56 h ILE 66 CO -0.01 0.22 0.39 0.74 0.00 0.00 0.00 178.15 179.49 1r56 h THR 67 N 0.26 1.24 -0.24 -0.27 2.02 -0.04 -2.10 112.91 113.78 1r56 h THR 67 Ca 0.08 -0.65 -0.12 0.00 0.77 0.00 0.00 66.41 66.49 1r56 h THR 67 Cb 0.26 0.23 -0.01 0.00 -1.74 0.00 0.00 68.15 66.89 1r56 h THR 67 CO -0.00 0.28 -0.37 0.00 0.37 0.00 0.00 175.52 175.80 1r56 h ALA 68 N 1.33 0.91 -0.48 6.16 0.00 -0.76 -1.52 119.26 124.90 1r56 h ALA 68 Ca 0.27 -0.42 -0.06 0.00 0.00 0.00 0.00 54.91 54.70 1r56 h ALA 68 Cb 0.09 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 1r56 h ALA 68 CO -0.04 0.63 0.07 -0.22 0.00 0.00 0.00 179.25 179.69 1r56 h LYS 69 N 0.44 0.75 -0.01 0.00 1.63 -0.43 -3.26 116.57 115.70 1r56 h LYS 69 Ca 0.04 -0.17 0.00 0.00 -0.85 0.00 0.00 60.65 59.68 1r56 h LYS 69 Cb 0.85 -0.11 0.00 0.00 -0.60 0.00 0.00 32.23 32.38 1r56 h LYS 69 CO 0.07 0.72 -0.58 1.04 -3.45 0.00 0.00 179.45 177.25 1r56 n GLN 70 N -4.26 0.61 -4.34 1.90 6.02 -0.85 -4.96 117.38 111.50 1r56 n GLN 70 Ca 0.03 -0.47 -0.18 0.00 -0.01 0.00 0.00 57.00 56.38 1r56 n GLN 70 Cb 0.25 -1.49 -0.10 0.00 1.02 0.00 0.00 30.24 29.91 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 -2.71 1.64 0.00 1.08 0.01 -0.60 -5.09 114.94 109.27 1r56 s ASN 71 Ca 0.16 -1.32 -0.30 0.00 -0.71 0.00 0.00 52.86 50.68 1r56 s ASN 71 Cb 0.18 0.06 -0.04 0.00 0.41 0.00 0.00 41.25 41.86 1r56 s ASN 71 CO 0.66 -0.63 1.11 -2.84 -1.51 0.00 0.00 177.10 173.89 1r56 s PRO 72 N -3.94 4.46 0.00 -0.60 0.02 -1.26 -4.74 135.00 128.93 1r56 s PRO 72 Ca 0.34 1.60 0.28 0.00 0.02 0.00 0.00 61.00 63.24 1r56 s PRO 72 Cb 0.07 -3.45 1.07 0.00 0.02 0.00 0.00 34.50 32.22 1r56 s PRO 72 CO 0.12 -0.23 1.77 1.33 -0.33 0.00 0.00 177.00 179.66 1r56 n VAL 73 N 4.12 0.00 -4.47 3.83 0.24 -1.26 -4.23 118.33 116.55 1r56 n VAL 73 Ca 0.08 -0.06 -0.21 0.00 -2.04 0.00 0.00 64.34 62.12 1r56 n VAL 73 Cb 0.48 -0.03 -0.14 0.00 -1.47 0.00 0.00 33.84 32.68 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 -2.59 1.11 0.47 3.34 -1.32 -1.26 -3.54 115.64 111.86 1r56 s THR 74 Ca 0.25 -0.83 -0.21 0.00 -1.21 0.00 0.00 61.69 59.68 1r56 s THR 74 Cb 0.19 -0.98 -0.08 0.00 -1.51 0.00 0.00 72.50 70.13 1r56 s THR 74 CO 0.51 0.13 1.08 -2.16 -2.21 0.00 0.00 174.62 171.98 1r56 s PRO 75 N -0.80 3.78 0.55 7.08 0.04 -1.26 -4.84 135.00 139.55 1r56 s PRO 75 Ca 0.03 1.52 0.37 0.00 0.04 0.00 0.00 61.00 62.96 1r56 s PRO 75 Cb -0.07 -2.23 1.54 0.00 0.04 0.00 0.00 34.50 33.78 1r56 s PRO 75 CO 0.01 -0.47 1.77 -1.00 0.04 0.00 0.00 177.00 177.35 1r56 h PRO 76 N 1.79 0.00 -0.36 0.56 0.13 -1.95 0.20 132.00 132.36 1r56 h PRO 76 Ca -0.49 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.56 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 0.60 0.00 -0.11 0.93 -0.23 0.00 0.00 178.00 179.19 1r56 h GLU 77 N 0.00 0.63 0.34 0.86 3.07 -1.96 0.20 114.58 117.73 1r56 h GLU 77 Ca 0.56 -0.19 -0.02 0.00 -0.50 0.00 0.00 59.36 59.22 1r56 h GLU 77 Cb 2.33 -0.06 0.00 0.00 -0.84 0.00 0.00 28.75 30.18 1r56 h GLU 77 CO -0.01 0.72 -0.17 1.25 -1.40 0.00 0.00 179.01 179.41 1r56 h LEU 78 N 0.58 -0.39 -0.88 1.33 5.85 -0.98 -2.33 115.31 118.48 1r56 h LEU 78 Ca 0.10 -0.13 0.19 0.00 0.84 0.00 0.00 57.88 58.88 1r56 h LEU 78 Cb 0.53 0.10 -0.11 0.00 0.37 0.00 0.00 40.66 41.55 1r56 h LEU 78 CO 0.03 0.06 0.43 0.15 -0.34 0.00 0.00 178.44 178.77 1r56 h PHE 79 N -1.01 0.73 0.00 1.25 3.57 -1.42 0.17 116.94 120.23 1r56 h PHE 79 Ca -0.05 0.04 -0.11 0.00 3.53 0.00 0.00 57.97 61.38 1r56 h PHE 79 Cb 0.50 -0.19 -0.02 0.00 2.79 0.00 0.00 35.95 39.03 1r56 h PHE 79 CO 0.03 0.07 -0.53 0.78 -2.23 0.00 0.00 178.31 176.44 1r56 h GLY 80 N 0.52 0.00 1.11 2.40 0.00 -1.00 -2.38 103.07 103.73 1r56 h GLY 80 Ca 0.52 0.00 -0.18 0.00 0.00 0.00 0.00 47.33 47.67 1r56 h GLY 80 CO -0.44 0.00 -0.51 1.76 0.00 0.00 0.00 176.54 177.35 1r56 h SER 81 N 0.00 0.94 -0.17 0.19 0.02 -0.22 -2.00 113.55 112.31 1r56 h SER 81 Ca -0.01 -0.53 -0.01 0.00 -0.84 0.00 0.00 61.79 60.41 1r56 h SER 81 Cb 1.11 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 63.37 1r56 h SER 81 CO 0.07 1.29 0.07 0.40 -1.14 0.00 0.00 176.83 177.52 1r56 h ILE 82 N 0.62 1.16 -0.21 3.27 2.04 -0.82 -1.83 117.51 121.76 1r56 h ILE 82 Ca 0.02 -0.48 -0.02 0.00 1.00 0.00 0.00 64.86 65.37 1r56 h ILE 82 Cb 1.12 1.16 -0.01 0.00 -0.74 0.00 0.00 36.82 38.35 1r56 h ILE 82 CO 0.11 0.15 0.05 0.25 0.00 0.00 0.00 178.15 178.72 1r56 h LEU 83 N 0.12 0.31 -0.82 1.44 5.85 -1.46 -1.63 115.31 119.12 1r56 h LEU 83 Ca 0.06 -0.22 -0.04 0.00 0.84 0.00 0.00 57.88 58.51 1r56 h LEU 83 Cb 0.18 -0.08 -0.04 0.00 0.37 0.00 0.00 40.66 41.09 1r56 h LEU 83 CO -0.00 0.45 0.35 1.23 -0.34 0.00 0.00 178.44 180.13 1r56 h GLY 84 N 0.15 1.30 1.02 3.75 0.00 -1.38 -2.77 103.07 105.14 1r56 h GLY 84 Ca 0.07 -0.68 -0.04 0.00 0.00 0.00 0.00 47.33 46.67 1r56 h GLY 84 CO -0.00 0.65 0.28 -0.84 0.00 0.00 0.00 176.54 176.63 1r56 h THR 85 N 1.19 1.24 -0.15 4.70 2.02 -1.15 -3.15 112.91 117.61 1r56 h THR 85 Ca 0.28 -0.74 0.03 0.00 0.77 0.00 0.00 66.41 66.74 1r56 h THR 85 Cb 0.18 0.44 -0.06 0.00 -1.74 0.00 0.00 68.15 66.98 1r56 h THR 85 CO -0.03 0.30 -0.51 -0.74 0.37 0.00 0.00 175.52 174.91 1r56 h HIS 86 N 0.98 -1.52 -0.70 3.16 6.17 -1.00 -2.12 115.15 120.11 1r56 h HIS 86 Ca 0.23 0.06 0.14 0.00 0.71 0.00 0.00 60.37 61.51 1r56 h HIS 86 Cb 0.19 0.68 -0.09 0.00 2.52 0.00 0.00 27.41 30.71 1r56 h HIS 86 CO 0.01 -0.50 0.23 0.74 0.71 0.00 0.00 177.93 179.12 1r56 h PHE 87 N -0.53 0.38 0.00 5.26 0.04 -1.52 0.20 116.94 120.77 1r56 h PHE 87 Ca 0.03 0.04 -0.08 0.00 2.80 0.00 0.00 57.97 60.76 1r56 h PHE 87 Cb 0.63 -0.06 -0.01 0.00 2.20 0.00 0.00 35.95 38.71 1r56 h PHE 87 CO -0.59 0.01 -0.38 -0.84 -0.60 0.00 0.00 178.31 175.91 1r56 h ILE 88 N 0.36 1.03 0.15 -0.55 3.07 -1.45 -2.60 117.51 117.52 1r56 h ILE 88 Ca 0.38 -1.41 -0.24 0.00 1.55 0.00 0.00 64.86 65.15 1r56 h ILE 88 Cb 0.59 1.81 0.02 0.00 -0.27 0.00 0.00 36.82 38.97 1r56 h ILE 88 CO -0.42 0.37 -1.11 -0.33 -1.05 0.00 0.00 178.15 175.60 1r56 h GLU 89 N 0.00 0.31 -0.15 0.16 5.08 -0.57 -3.35 114.58 116.06 1r56 h GLU 89 Ca -0.00 -0.53 -0.10 0.00 -1.00 0.00 0.00 59.36 57.72 1r56 h GLU 89 Cb 0.78 0.20 -0.01 0.00 0.50 0.00 0.00 28.75 30.22 1r56 h GLU 89 CO 0.05 1.25 -0.35 -0.22 -1.00 0.00 0.00 179.01 178.74 1r56 h LYS 90 N -0.28 0.32 -4.81 2.33 1.63 -0.73 -3.41 116.57 111.62 1r56 h LYS 90 Ca -0.22 -0.14 -0.66 0.00 -0.85 0.00 0.00 60.65 58.79 1r56 h LYS 90 Cb 1.75 -0.01 -0.37 0.00 -0.60 0.00 0.00 32.23 33.00 1r56 h LYS 90 CO 0.14 0.63 -0.79 0.71 -3.45 0.00 0.00 179.45 176.69 1r56 s TYR 91 N -4.28 3.26 0.42 1.91 2.02 -0.98 -5.00 117.35 114.70 1r56 s TYR 91 Ca -0.05 -2.37 0.18 0.00 -0.37 0.00 0.00 57.07 54.46 1r56 s TYR 91 Cb 0.14 -2.02 1.09 0.00 -0.40 0.00 0.00 41.96 40.77 1r56 s TYR 91 CO 0.78 -0.88 1.85 -0.91 -1.57 0.00 0.00 175.55 174.81 1r56 h ASN 92 N 7.77 0.40 0.15 2.29 2.35 -1.81 -1.64 115.58 125.09 1r56 h ASN 92 Ca -0.17 0.04 0.00 0.00 -0.55 0.00 0.00 56.30 55.62 1r56 h ASN 92 Cb 1.04 -0.03 0.00 0.00 0.05 0.00 0.00 38.32 39.38 1r56 h ASN 92 CO 0.46 0.15 -0.11 0.00 -1.65 0.00 0.00 177.43 176.29 1r56 n HIS 93 N -4.51 0.00 -3.54 1.19 1.44 -1.26 -4.77 115.22 103.76 1r56 n HIS 93 Ca 0.20 0.00 -0.39 0.00 -2.01 0.00 0.00 57.72 55.52 1r56 n HIS 93 Cb 0.72 -0.08 -0.11 0.00 0.12 0.00 0.00 29.99 30.65 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 -2.26 5.28 -0.59 0.61 -1.09 -0.62 -0.02 121.20 122.51 1r56 s ILE 94 Ca 0.32 0.05 0.12 0.00 -2.23 0.00 0.00 60.65 58.92 1r56 s ILE 94 Cb 0.20 -3.63 -0.14 0.00 -1.58 0.00 0.00 42.46 37.32 1r56 s ILE 94 CO 0.43 0.12 0.53 1.41 -1.23 0.00 0.00 174.94 176.21 1r56 n HIS 95 N 5.12 0.00 -3.76 3.97 8.25 -0.30 -4.56 115.22 123.94 1r56 n HIS 95 Ca -0.13 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.20 1r56 n HIS 95 Cb 0.51 -0.00 -0.14 0.00 1.12 0.00 0.00 29.99 31.48 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 -2.19 -0.30 -0.08 -1.41 0.00 -0.98 -0.36 121.76 116.43 1r56 s ALA 96 Ca 0.05 0.64 0.04 0.00 0.00 0.00 0.00 51.96 52.68 1r56 s ALA 96 Cb 0.10 -0.42 0.00 0.00 0.00 0.00 0.00 23.12 22.80 1r56 s ALA 96 CO 0.52 -0.14 -0.21 0.00 0.00 0.00 0.00 175.76 175.92 1r56 s ALA 97 N 0.94 1.96 -0.26 0.00 0.00 0.14 -1.15 121.76 123.39 1r56 s ALA 97 Ca -0.07 -0.86 -0.01 0.00 0.00 0.00 0.00 51.96 51.02 1r56 s ALA 97 Cb -0.09 -0.73 0.04 0.00 0.00 0.00 0.00 23.12 22.34 1r56 s ALA 97 CO -0.05 0.27 -0.07 -1.01 0.00 0.00 0.00 175.76 174.91 1r56 s HIS 98 N 0.32 3.12 -0.19 0.00 3.76 0.10 -0.98 115.29 121.41 1r56 s HIS 98 Ca -0.15 -1.76 -0.01 0.00 -0.15 0.00 0.00 55.06 52.99 1r56 s HIS 98 Cb -0.17 -2.04 0.00 0.00 1.11 0.00 0.00 32.58 31.49 1r56 s HIS 98 CO 0.07 -0.78 -0.13 0.08 -0.85 0.00 0.00 174.74 173.13 1r56 s VAL 99 N 1.27 2.67 -0.15 -0.90 1.01 -0.25 -0.33 120.40 123.72 1r56 s VAL 99 Ca -0.02 -0.74 0.01 0.00 0.00 0.00 0.00 61.98 61.22 1r56 s VAL 99 Cb -0.18 -2.16 0.00 0.00 0.00 0.00 0.00 36.38 34.05 1r56 s VAL 99 CO -0.05 0.49 -0.17 0.21 0.00 0.00 0.00 175.10 175.59 1r56 s ASN 100 N 1.25 3.51 -0.10 3.32 2.47 0.13 -1.00 114.94 124.53 1r56 s ASN 100 Ca 0.03 -0.51 0.03 0.00 0.42 0.00 0.00 52.86 52.83 1r56 s ASN 100 Cb -0.14 -1.53 0.00 0.00 -1.45 0.00 0.00 41.25 38.13 1r56 s ASN 100 CO -0.07 0.08 -0.21 -0.63 -3.72 0.00 0.00 177.10 172.56 1r56 s ILE 101 N 0.84 1.82 -0.24 -5.21 1.01 -0.72 -0.24 121.20 118.47 1r56 s ILE 101 Ca -0.05 -0.87 -0.06 0.00 0.00 0.00 0.00 60.65 59.67 1r56 s ILE 101 Cb -0.15 -1.59 -0.02 0.00 0.01 0.00 0.00 42.46 40.70 1r56 s ILE 101 CO -0.01 0.51 0.02 -0.69 0.00 0.00 0.00 174.94 174.77 1r56 s VAL 102 N 0.50 3.92 -0.09 2.92 1.01 -0.07 -1.39 120.40 127.20 1r56 s VAL 102 Ca -0.16 -0.31 -0.14 0.00 0.00 0.00 0.00 61.98 61.37 1r56 s VAL 102 Cb -0.17 -2.82 -0.05 0.00 0.00 0.00 0.00 36.38 33.34 1r56 s VAL 102 CO 0.06 0.37 0.34 0.00 0.00 0.00 0.00 175.10 175.87 1r56 s HIS 104 N -0.20 3.53 -0.12 0.00 3.76 -0.76 -2.78 115.29 118.73 1r56 s HIS 104 Ca 0.20 0.41 -0.29 0.00 -0.15 0.00 0.00 55.06 55.24 1r56 s HIS 104 Cb -0.14 -1.87 -0.01 0.00 1.11 0.00 0.00 32.58 31.66 1r56 s HIS 104 CO 0.08 0.67 0.97 1.03 -0.85 0.00 0.00 174.74 176.64 1r56 s ARG 105 N -1.46 4.40 -0.34 1.40 0.52 -1.26 -4.50 118.95 117.71 1r56 s ARG 105 Ca 0.21 1.31 0.02 0.00 -0.52 0.00 0.00 55.73 56.75 1r56 s ARG 105 Cb -0.12 -3.55 0.10 0.00 0.52 0.00 0.00 34.95 31.90 1r56 s ARG 105 CO 0.11 -0.31 0.08 -1.58 0.02 0.00 0.00 175.30 173.62 1r56 s TRP 106 N 2.02 2.81 -0.15 -0.53 0.23 -1.26 -4.34 118.94 117.72 1r56 s TRP 106 Ca 0.46 -2.45 -0.08 0.00 -2.03 0.00 0.00 56.10 52.00 1r56 s TRP 106 Cb -0.18 -2.37 -0.04 0.00 0.03 0.00 0.00 33.47 30.91 1r56 s TRP 106 CO 0.17 -0.91 0.14 0.99 0.96 0.00 0.00 176.95 178.30 1r56 s THR 107 N 1.15 5.47 0.30 2.01 2.01 -0.42 -4.84 115.64 121.31 1r56 s THR 107 Ca 0.11 0.21 -0.30 0.00 0.31 0.00 0.00 61.69 62.02 1r56 s THR 107 Cb -0.19 -3.43 -0.11 0.00 0.01 0.00 0.00 72.50 68.78 1r56 s THR 107 CO -0.15 0.55 1.60 -0.60 -0.69 0.00 0.00 174.62 175.33 1r56 s ARG 108 N -0.48 4.11 0.46 4.92 3.52 -1.26 -0.25 118.95 129.97 1r56 s ARG 108 Ca 0.12 2.59 -0.21 0.00 -0.13 0.00 0.00 55.73 58.10 1r56 s ARG 108 Cb -0.12 -3.02 -0.08 0.00 -1.56 0.00 0.00 34.95 30.17 1r56 s ARG 108 CO 0.02 -0.64 1.06 -1.64 -0.81 0.00 0.00 175.30 173.28 1r56 s MET 109 N -0.56 3.87 -0.28 5.12 -1.94 -0.19 -4.81 119.30 120.49 1r56 s MET 109 Ca 0.63 1.45 0.02 0.00 -1.71 0.00 0.00 55.69 56.09 1r56 s MET 109 Cb -0.48 -2.24 0.07 0.00 2.01 0.00 0.00 34.83 34.19 1r56 s MET 109 CO 0.49 -0.39 -0.06 -0.51 -0.01 0.00 0.00 175.02 174.54 1r56 s ASP 110 N -1.80 4.59 -0.24 3.03 1.01 -1.26 -0.94 116.67 121.07 1r56 s ASP 110 Ca 0.65 -1.54 -0.06 0.00 0.71 0.00 0.00 52.55 52.31 1r56 s ASP 110 Cb -0.19 -1.60 -0.02 0.00 1.01 0.00 0.00 42.92 42.12 1r56 s ASP 110 CO 0.24 -0.25 0.03 -0.63 0.21 0.00 0.00 175.17 174.77 1r56 s ILE 111 N 1.09 3.96 -1.20 0.77 -1.09 -0.66 -4.54 121.20 119.53 1r56 s ILE 111 Ca -0.04 -0.32 -0.07 0.00 -2.23 0.00 0.00 60.65 57.99 1r56 s ILE 111 Cb -0.20 -2.85 0.01 0.00 -1.58 0.00 0.00 42.46 37.84 1r56 s ILE 111 CO -0.05 0.35 0.86 0.47 -1.23 0.00 0.00 174.94 175.34 1r56 n ASP 112 N 4.88 -5.64 -1.50 3.58 8.00 -1.26 -2.17 116.55 122.44 1r56 n ASP 112 Ca -0.17 -0.39 -0.18 0.00 0.71 0.00 0.00 54.79 54.76 1r56 n ASP 112 Cb 0.51 -4.31 -0.06 0.00 -0.02 0.00 0.00 41.12 37.24 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 -1.67 1.23 2.91 0.44 0.00 -1.26 -4.98 105.19 101.86 1r56 n GLY 113 Ca -0.02 -0.17 -0.18 0.00 0.00 0.00 0.00 46.02 45.65 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 -3.82 0.56 -0.02 1.61 -2.85 -0.92 -5.12 119.74 109.18 1r56 s LYS 114 Ca 0.00 -0.12 -0.30 0.00 -1.00 0.00 0.00 55.97 54.55 1r56 s LYS 114 Cb 0.00 -0.59 -0.06 0.00 -2.06 0.00 0.00 37.83 35.13 1r56 s LYS 114 CO 0.00 0.00 1.55 -2.14 0.10 0.00 0.00 175.35 174.87 1r56 s PRO 115 N 0.44 4.22 0.21 1.78 0.02 -1.26 -1.65 135.00 138.75 1r56 s PRO 115 Ca -0.05 2.11 -0.30 0.00 0.02 0.00 0.00 61.00 62.79 1r56 s PRO 115 Cb -0.09 -3.78 -0.08 0.00 0.02 0.00 0.00 34.50 30.57 1r56 s PRO 115 CO -0.00 -0.74 1.19 -1.58 -0.33 0.00 0.00 177.00 175.54 1r56 s HIS 116 N 3.28 3.43 0.27 6.54 2.46 -0.11 -4.96 115.29 126.20 1r56 s HIS 116 Ca 0.69 1.46 0.24 0.00 0.47 0.00 0.00 55.06 57.92 1r56 s HIS 116 Cb -0.33 -3.42 1.07 0.00 -0.13 0.00 0.00 32.58 29.77 1r56 s HIS 116 CO 0.28 -1.14 1.91 -1.00 -2.47 0.00 0.00 174.74 172.31 1r56 h PRO 117 N 4.91 0.00 0.00 2.88 0.13 -1.90 -3.37 132.00 134.65 1r56 h PRO 117 Ca -0.45 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.56 1r56 h PRO 117 Cb 1.21 0.00 -0.24 0.00 0.13 0.00 0.00 31.00 32.11 1r56 h PRO 117 CO 0.73 0.22 -0.71 -2.39 -0.23 0.00 0.00 178.00 175.62 1r56 n HIS 118 N -3.56 0.00 -5.08 1.56 1.44 -1.26 -0.38 115.22 107.93 1r56 n HIS 118 Ca -0.01 -0.37 -0.30 0.00 -2.01 0.00 0.00 57.72 55.03 1r56 n HIS 118 Cb 0.37 0.03 -0.17 0.00 0.12 0.00 0.00 29.99 30.34 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 -1.46 2.76 0.09 4.39 0.01 -1.26 -5.06 113.70 113.17 1r56 s SER 119 Ca 0.18 -0.48 0.05 0.00 1.31 0.00 0.00 55.95 57.01 1r56 s SER 119 Cb 0.21 -1.11 -0.03 0.00 0.21 0.00 0.00 66.02 65.30 1r56 s SER 119 CO -0.09 0.15 -0.12 -0.36 0.41 0.00 0.00 173.24 173.23 1r56 s PHE 120 N 0.26 1.19 -0.01 2.43 0.40 -1.26 -1.03 117.98 119.96 1r56 s PHE 120 Ca -0.14 -0.55 0.04 0.00 -0.60 0.00 0.00 56.93 55.68 1r56 s PHE 120 Cb -0.16 -0.65 -0.01 0.00 0.51 0.00 0.00 43.02 42.71 1r56 s PHE 120 CO 0.06 0.06 -0.12 -1.50 0.70 0.00 0.00 175.22 174.42 1r56 s ILE 121 N -1.92 0.94 -1.06 0.64 2.07 0.65 -4.84 121.20 117.68 1r56 s ILE 121 Ca 0.03 -0.51 -0.22 0.00 -1.41 0.00 0.00 60.65 58.54 1r56 s ILE 121 Cb -0.06 -0.79 0.05 0.00 0.13 0.00 0.00 42.46 41.79 1r56 s ILE 121 CO 0.02 0.27 1.52 -0.60 -1.91 0.00 0.00 174.94 174.24 1r56 s ARG 122 N -0.27 3.61 0.33 3.50 6.06 -1.26 -1.30 118.95 129.62 1r56 s ARG 122 Ca 0.04 -1.24 0.26 0.00 -2.50 0.00 0.00 55.73 52.30 1r56 s ARG 122 Cb -0.05 -5.38 1.04 0.00 0.06 0.00 0.00 34.95 30.63 1r56 s ARG 122 CO -0.00 -2.28 1.78 0.38 -2.50 0.00 0.00 175.30 172.68 1r56 h ASP 123 N 9.48 0.00 -4.69 -2.12 2.03 -1.90 -3.46 116.42 115.75 1r56 h ASP 123 Ca 0.24 0.00 0.02 0.00 -0.73 0.00 0.00 57.03 56.56 1r56 h ASP 123 Cb 0.99 0.00 -0.18 0.00 -0.83 0.00 0.00 39.33 39.30 1r56 h ASP 123 CO 1.43 0.00 0.35 -0.55 -1.03 0.00 0.00 179.24 179.43 1r56 s SER 124 N -4.71 -0.51 0.00 4.15 0.15 -1.26 -5.02 113.70 106.50 1r56 s SER 124 Ca 0.04 0.37 0.17 0.00 0.70 0.00 0.00 55.95 57.23 1r56 s SER 124 Cb 0.09 0.46 0.77 0.00 -1.71 0.00 0.00 66.02 65.63 1r56 s SER 124 CO 0.46 -0.60 1.53 1.21 1.20 0.00 0.00 173.24 177.04 1r56 n GLU 125 N 0.41 1.41 -2.10 5.44 4.07 -1.26 -4.57 120.64 124.04 1r56 n GLU 125 Ca -0.14 -0.62 -0.41 0.00 -0.06 0.00 0.00 57.16 55.93 1r56 n GLU 125 Cb 0.60 -1.31 -0.02 0.00 -0.06 0.00 0.00 31.44 30.64 1r56 n GLU 125 CO 0.00 0.00 0.00 -2.00 -0.06 0.00 0.00 177.13 175.07 1r56 s GLU 126 N -1.86 4.34 0.17 5.31 2.12 -1.25 -4.81 118.70 122.72 1r56 s GLU 126 Ca 0.27 2.22 0.08 0.00 0.36 0.00 0.00 54.97 57.91 1r56 s GLU 126 Cb 0.14 -3.09 -0.04 0.00 0.26 0.00 0.00 34.13 31.40 1r56 s GLU 126 CO 0.21 -0.24 -0.08 0.15 -0.54 0.00 0.00 175.26 174.76 1r56 s LYS 127 N -1.38 2.11 -0.18 4.30 -0.14 -0.18 -4.37 119.74 119.89 1r56 s LYS 127 Ca 0.52 -1.22 -0.01 0.00 -1.36 0.00 0.00 55.97 53.89 1r56 s LYS 127 Cb -0.40 -2.20 -0.00 0.00 -1.68 0.00 0.00 37.83 33.55 1r56 s LYS 127 CO 0.50 0.45 -0.11 0.50 -0.76 0.00 0.00 175.35 175.92 1r56 s ARG 128 N -2.77 3.29 0.32 1.68 3.52 -1.12 -2.35 118.95 121.53 1r56 s ARG 128 Ca 0.25 -0.69 0.07 0.00 -0.13 0.00 0.00 55.73 55.22 1r56 s ARG 128 Cb -0.09 -2.77 -0.06 0.00 -1.56 0.00 0.00 34.95 30.47 1r56 s ARG 128 CO 0.15 -0.05 -0.03 -0.80 -0.81 0.00 0.00 175.30 173.77 1r56 s ASN 129 N 1.01 3.04 -0.07 -2.12 -0.87 -0.04 0.04 114.94 115.94 1r56 s ASN 129 Ca -0.01 -1.26 -0.13 0.00 -1.57 0.00 0.00 52.86 49.89 1r56 s ASN 129 Cb -0.15 -0.22 0.03 0.00 -0.02 0.00 0.00 41.25 40.89 1r56 s ASN 129 CO -0.02 -0.39 0.32 0.68 -2.57 0.00 0.00 177.10 175.13 1r56 s VAL 130 N -2.95 0.03 -0.16 1.60 -7.23 -0.49 -1.50 120.40 109.70 1r56 s VAL 130 Ca 0.32 -0.25 0.01 0.00 -1.81 0.00 0.00 61.98 60.25 1r56 s VAL 130 Cb 0.05 -0.54 0.02 0.00 0.56 0.00 0.00 36.38 36.48 1r56 s VAL 130 CO 0.14 -0.14 -0.15 -1.58 -0.31 0.00 0.00 175.10 173.07 1r56 s GLN 131 N -0.60 2.43 -0.16 4.82 0.74 0.36 -1.76 119.66 125.49 1r56 s GLN 131 Ca -0.07 -0.66 0.01 0.00 0.05 0.00 0.00 55.36 54.68 1r56 s GLN 131 Cb -0.04 -2.26 0.01 0.00 1.10 0.00 0.00 33.01 31.82 1r56 s GLN 131 CO 0.02 -0.26 -0.18 0.08 -0.55 0.00 0.00 175.29 174.41 1r56 s VAL 132 N 1.43 2.40 -0.30 1.34 1.01 -0.17 -0.52 120.40 125.59 1r56 s VAL 132 Ca 0.04 -0.85 -0.03 0.00 0.00 0.00 0.00 61.98 61.14 1r56 s VAL 132 Cb -0.13 -2.00 0.04 0.00 0.00 0.00 0.00 36.38 34.29 1r56 s VAL 132 CO -0.11 0.53 0.01 -1.81 0.00 0.00 0.00 175.10 173.72 1r56 s ASP 133 N 0.94 4.90 -0.40 3.32 1.01 0.10 -1.09 116.67 125.46 1r56 s ASP 133 Ca -0.03 -1.15 -0.13 0.00 0.71 0.00 0.00 52.55 51.95 1r56 s ASP 133 Cb -0.15 -1.74 0.02 0.00 1.01 0.00 0.00 42.92 42.06 1r56 s ASP 133 CO -0.03 -0.25 0.26 -0.69 0.21 0.00 0.00 175.17 174.67 1r56 s VAL 134 N 1.31 4.96 -0.12 -1.27 1.01 -0.16 -0.80 120.40 125.33 1r56 s VAL 134 Ca -0.03 -0.75 0.01 0.00 0.00 0.00 0.00 61.98 61.20 1r56 s VAL 134 Cb -0.19 -3.77 -0.01 0.00 0.00 0.00 0.00 36.38 32.41 1r56 s VAL 134 CO -0.01 -0.28 -0.16 -0.69 0.00 0.00 0.00 175.10 173.96 1r56 s VAL 135 N 1.62 2.82 -0.03 2.92 1.01 -0.90 -0.68 120.40 127.16 1r56 s VAL 135 Ca 0.04 -0.75 -0.30 0.00 0.00 0.00 0.00 61.98 60.96 1r56 s VAL 135 Cb -0.19 -2.15 -0.09 0.00 0.00 0.00 0.00 36.38 33.95 1r56 s VAL 135 CO 0.09 0.54 2.02 1.21 0.00 0.00 0.00 175.10 178.95 1r56 n GLU 136 N 3.43 2.61 0.00 2.72 2.13 0.51 -2.18 120.64 129.86 1r56 n GLU 136 Ca -0.18 0.92 0.00 0.00 0.66 0.00 0.00 57.16 58.56 1r56 n GLU 136 Cb 0.53 -3.01 0.00 0.00 0.27 0.00 0.00 31.44 29.23 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 4.79 2.63 0.00 8.31 0.00 -1.26 -4.81 105.19 114.84 1r56 n GLY 137 Ca 0.22 -0.61 0.11 0.00 0.00 0.00 0.00 46.02 45.75 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 0.00 0.63 0.00 1.61 5.02 -0.93 -5.02 118.16 119.47 1r56 n LYS 138 Ca 0.00 0.02 0.00 0.00 -2.02 0.00 0.00 58.31 56.31 1r56 n LYS 138 Cb 0.00 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.51 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 0.47 -1.84 3.32 0.72 0.00 -1.07 -4.86 105.19 101.92 1r56 n GLY 139 Ca 0.16 -1.53 -0.37 0.00 0.00 0.00 0.00 46.02 44.28 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 3.75 -0.29 -0.61 1.01 0.98 -2.12 121.20 123.92 1r56 s ILE 140 Ca 0.00 -0.75 -0.17 0.00 0.00 0.00 0.00 60.65 59.73 1r56 s ILE 140 Cb 0.00 -2.93 -0.02 0.00 0.01 0.00 0.00 42.46 39.52 1r56 s ILE 140 CO 0.00 0.11 0.46 -1.81 0.00 0.00 0.00 174.94 173.69 1r56 s ASP 141 N 1.47 6.33 -0.17 3.58 1.01 0.02 -1.81 116.67 127.08 1r56 s ASP 141 Ca 0.02 0.26 0.00 0.00 0.71 0.00 0.00 52.55 53.54 1r56 s ASP 141 Cb -0.17 -2.25 0.01 0.00 1.01 0.00 0.00 42.92 41.52 1r56 s ASP 141 CO 0.01 -0.30 -0.17 -0.63 0.21 0.00 0.00 175.17 174.29 1r56 s ILE 142 N 2.23 2.43 -0.22 0.77 1.01 -1.26 0.03 121.20 126.20 1r56 s ILE 142 Ca 0.18 -0.83 -0.04 0.00 0.00 0.00 0.00 60.65 59.96 1r56 s ILE 142 Cb -0.16 -2.03 -0.01 0.00 0.01 0.00 0.00 42.46 40.27 1r56 s ILE 142 CO 0.11 0.52 -0.02 -0.54 0.00 0.00 0.00 174.94 175.00 1r56 s LYS 143 N 1.12 3.45 0.14 2.79 1.02 0.32 -1.49 119.74 127.09 1r56 s LYS 143 Ca 0.00 -0.59 0.03 0.00 0.02 0.00 0.00 55.97 55.44 1r56 s LYS 143 Cb -0.14 -3.05 -0.04 0.00 -0.52 0.00 0.00 37.83 34.09 1r56 s LYS 143 CO -0.06 -0.14 0.20 -1.12 -0.92 0.00 0.00 175.35 173.30 1r56 s SER 144 N 1.37 5.94 0.19 2.83 0.01 -0.01 -0.49 113.70 123.55 1r56 s SER 144 Ca 0.04 0.05 -0.23 0.00 1.31 0.00 0.00 55.95 57.12 1r56 s SER 144 Cb -0.14 -1.69 0.06 0.00 0.21 0.00 0.00 66.02 64.45 1r56 s SER 144 CO -0.01 0.08 0.65 -0.94 0.41 0.00 0.00 173.24 173.43 1r56 s SER 145 N -3.03 -0.47 -0.00 2.44 1.04 -0.56 -0.35 113.70 112.76 1r56 s SER 145 Ca 0.33 -0.19 0.07 0.00 0.48 0.00 0.00 55.95 56.64 1r56 s SER 145 Cb -0.11 0.63 -0.02 0.00 0.10 0.00 0.00 66.02 66.62 1r56 s SER 145 CO 0.26 -1.08 -0.23 -1.48 0.98 0.00 0.00 173.24 171.69 1r56 s LEU 146 N -2.80 2.07 0.16 2.42 0.05 0.34 -0.86 118.68 120.07 1r56 s LEU 146 Ca 0.04 -0.44 -0.10 0.00 0.05 0.00 0.00 54.13 53.68 1r56 s LEU 146 Cb -0.03 -1.16 -0.00 0.00 -2.05 0.00 0.00 46.19 42.95 1r56 s LEU 146 CO -0.07 0.26 0.31 -0.94 -0.55 0.00 0.00 176.35 175.36 1r56 s SER 147 N -0.67 0.01 -1.15 1.48 1.04 -0.99 -1.18 113.70 112.23 1r56 s SER 147 Ca 0.09 -0.79 0.00 0.00 0.48 0.00 0.00 55.95 55.73 1r56 s SER 147 Cb -0.09 0.45 0.00 0.00 0.10 0.00 0.00 66.02 66.48 1r56 s SER 147 CO -0.00 -0.90 0.00 0.61 0.98 0.00 0.00 173.24 173.93 1r56 n GLY 148 N -0.22 0.32 3.52 7.32 0.00 -1.22 -1.01 105.19 113.89 1r56 n GLY 148 Ca -0.09 -0.39 -0.43 0.00 0.00 0.00 0.00 46.02 45.12 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 -3.37 4.54 -0.22 0.99 2.96 -1.22 -3.85 118.68 118.52 1r56 s LEU 149 Ca 0.00 -0.33 -0.05 0.00 -0.22 0.00 0.00 54.13 53.53 1r56 s LEU 149 Cb 0.00 -2.63 -0.02 0.00 0.50 0.00 0.00 46.19 44.04 1r56 s LEU 149 CO 0.00 -0.67 -0.01 -0.89 -1.32 0.00 0.00 176.35 173.46 1r56 s THR 150 N 2.59 3.75 0.19 3.68 2.01 -1.26 0.36 115.64 126.96 1r56 s THR 150 Ca 0.20 -0.37 0.05 0.00 0.31 0.00 0.00 61.69 61.87 1r56 s THR 150 Cb -0.15 -2.71 -0.05 0.00 0.01 0.00 0.00 72.50 69.60 1r56 s THR 150 CO 0.17 0.41 -0.07 0.68 -0.69 0.00 0.00 174.62 175.11 1r56 s VAL 151 N 1.34 1.23 -0.21 3.82 -7.23 -0.86 -5.02 120.40 113.47 1r56 s VAL 151 Ca 0.04 -2.08 -0.18 0.00 -1.81 0.00 0.00 61.98 57.96 1r56 s VAL 151 Cb -0.15 -2.10 0.06 0.00 0.56 0.00 0.00 36.38 34.76 1r56 s VAL 151 CO 0.00 -0.54 0.56 -0.22 -0.31 0.00 0.00 175.10 174.58 1r56 s LEU 152 N -3.26 -0.21 -0.11 1.32 0.20 -1.26 -1.76 118.68 113.61 1r56 s LEU 152 Ca 0.23 1.14 0.02 0.00 0.69 0.00 0.00 54.13 56.21 1r56 s LEU 152 Cb 0.03 1.90 0.01 0.00 -0.43 0.00 0.00 46.19 47.71 1r56 s LEU 152 CO 0.05 -0.20 -0.17 -1.59 -0.29 0.00 0.00 176.35 174.16 1r56 s LYS 153 N 0.54 2.34 0.05 1.98 -2.85 0.23 -5.00 119.74 117.02 1r56 s LYS 153 Ca -0.02 -0.61 0.27 0.00 -1.00 0.00 0.00 55.97 54.61 1r56 s LYS 153 Cb -0.04 -1.94 1.10 0.00 -2.06 0.00 0.00 37.83 34.88 1r56 s LYS 153 CO -0.03 -0.03 1.85 -1.13 0.10 0.00 0.00 175.35 176.12 1r56 n SER 154 N 4.09 0.17 -2.51 0.03 3.41 -1.26 -1.43 113.62 116.12 1r56 n SER 154 Ca -0.19 0.52 -0.07 0.00 -0.26 0.00 0.00 58.87 58.87 1r56 n SER 154 Cb 0.51 -0.56 0.02 0.00 -0.26 0.00 0.00 64.21 63.92 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 -1.67 0.00 -2.93 6.66 5.66 -1.26 -4.37 114.28 116.38 1r56 n THR 155 Ca 0.06 -0.78 -0.11 0.00 -3.05 0.00 0.00 64.05 60.17 1r56 n THR 155 Cb 0.34 0.80 0.04 0.00 -1.55 0.00 0.00 70.33 69.96 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 -1.42 -3.35 -3.79 1.09 4.13 -1.26 -4.88 115.26 105.78 1r56 n ASN 156 Ca -0.07 -0.30 -0.13 0.00 1.68 0.00 0.00 54.58 55.77 1r56 n ASN 156 Cb 0.49 -2.87 -0.12 0.00 -1.54 0.00 0.00 39.78 35.75 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 -3.39 -0.24 0.31 6.41 0.15 -1.25 -4.00 113.70 111.69 1r56 s SER 157 Ca 0.18 0.47 0.03 0.00 0.70 0.00 0.00 55.95 57.33 1r56 s SER 157 Cb -0.08 0.48 -0.04 0.00 -1.71 0.00 0.00 66.02 64.67 1r56 s SER 157 CO 0.38 -0.08 0.15 -1.10 1.20 0.00 0.00 173.24 173.79 1r56 s GLN 158 N 0.14 1.62 -0.29 5.44 -0.21 -0.93 -1.75 119.66 123.68 1r56 s GLN 158 Ca -0.00 -1.93 0.03 0.00 0.02 0.00 0.00 55.36 53.47 1r56 s GLN 158 Cb -0.02 -0.18 0.20 0.00 1.00 0.00 0.00 33.01 34.01 1r56 s GLN 158 CO 0.00 -0.44 0.63 0.12 -2.12 0.00 0.00 175.29 173.48 1r56 s PHE 159 N -3.56 -1.68 0.24 0.91 5.36 -0.33 -4.12 117.98 114.80 1r56 s PHE 159 Ca 0.35 1.19 -0.09 0.00 -0.96 0.00 0.00 56.93 57.41 1r56 s PHE 159 Cb 0.05 0.37 -0.01 0.00 -0.34 0.00 0.00 43.02 43.08 1r56 s PHE 159 CO 0.17 -0.96 0.39 1.67 -1.46 0.00 0.00 175.22 175.02 1r56 s TRP 160 N 2.85 0.62 0.00 10.12 1.48 -1.26 -1.30 118.94 131.44 1r56 s TRP 160 Ca 0.14 -0.94 0.00 0.00 -1.06 0.00 0.00 56.10 54.24 1r56 s TRP 160 Cb -0.11 -0.02 0.00 0.00 -1.16 0.00 0.00 33.47 32.18 1r56 s TRP 160 CO -0.24 -0.91 0.00 0.41 -4.06 0.00 0.00 176.95 172.15 1r56 n GLY 161 N -0.37 0.55 3.88 3.67 0.00 -1.26 -5.02 105.19 106.64 1r56 n GLY 161 Ca -0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.21 3.38 0.32 1.61 -0.71 -1.26 -4.99 117.98 114.12 1r56 s PHE 162 Ca 0.00 1.06 -0.29 0.00 -1.04 0.00 0.00 56.93 56.65 1r56 s PHE 162 Cb 0.00 -2.96 -0.11 0.00 -1.21 0.00 0.00 43.02 38.75 1r56 s PHE 162 CO 0.00 -1.03 1.45 -1.17 -1.34 0.00 0.00 175.22 173.13 1r56 s LEU 163 N -5.28 4.37 -0.06 -1.99 0.20 -1.26 -5.01 118.68 109.64 1r56 s LEU 163 Ca 0.57 2.85 0.04 0.00 0.69 0.00 0.00 54.13 58.28 1r56 s LEU 163 Cb -0.11 -3.65 0.00 0.00 -0.43 0.00 0.00 46.19 42.01 1r56 s LEU 163 CO 0.51 -0.76 -0.18 -0.13 -0.29 0.00 0.00 176.35 175.50 1r56 s ARG 164 N -1.27 2.13 0.00 1.98 0.52 -1.26 -4.96 118.95 116.08 1r56 s ARG 164 Ca 0.56 -0.65 0.00 0.00 -0.52 0.00 0.00 55.73 55.11 1r56 s ARG 164 Cb -0.44 -1.75 0.00 0.00 0.52 0.00 0.00 34.95 33.28 1r56 s ARG 164 CO 0.53 0.19 0.00 -0.40 0.02 0.00 0.00 175.30 175.64 1r56 n ASP 165 N 3.38 0.00 0.00 0.23 5.75 -1.26 -5.02 116.55 119.63 1r56 n ASP 165 Ca -0.19 -0.48 0.07 0.00 -0.01 0.00 0.00 54.79 54.17 1r56 n ASP 165 Cb 0.53 0.00 0.38 0.00 -1.03 0.00 0.00 41.12 40.99 1r56 n ASP 165 CO 0.00 0.00 0.00 -1.84 -0.11 0.00 0.00 177.20 175.25 1r56 n GLU 166 N 0.00 0.36 -0.03 0.11 0.00 -1.26 -2.03 120.64 117.79 1r56 n GLU 166 Ca 0.00 0.04 0.08 0.00 0.00 0.00 0.00 57.16 57.28 1r56 n GLU 166 Cb 0.00 -1.50 0.08 0.00 0.00 0.00 0.00 31.44 30.02 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 -1.07 0.08 -3.62 -1.84 4.01 -1.26 -4.99 117.16 108.47 1r56 n TYR 167 Ca 0.09 -0.06 -0.37 0.00 -0.16 0.00 0.00 57.90 57.40 1r56 n TYR 167 Cb 0.06 -0.00 -0.09 0.00 -0.31 0.00 0.00 39.34 39.00 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 -1.28 5.34 0.00 -0.72 2.01 -0.86 -4.92 115.64 115.21 1r56 s THR 168 Ca 0.20 0.27 0.00 0.00 0.31 0.00 0.00 61.69 62.48 1r56 s THR 168 Cb 0.14 -3.54 0.00 0.00 0.01 0.00 0.00 72.50 69.11 1r56 s THR 168 CO 0.20 0.34 0.00 0.35 -0.69 0.00 0.00 174.62 174.82 1r56 n THR 169 N 4.22 0.00 -2.09 -0.82 -2.24 -1.26 -4.84 114.28 107.25 1r56 n THR 169 Ca -0.14 -0.19 -0.42 0.00 -2.27 0.00 0.00 64.05 61.03 1r56 n THR 169 Cb 0.52 0.69 -0.03 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 -2.14 4.39 0.27 3.22 2.96 -1.26 -5.01 118.68 121.11 1r56 s LEU 170 Ca 0.00 2.50 -0.17 0.00 -0.22 0.00 0.00 54.13 56.23 1r56 s LEU 170 Cb 0.00 -3.60 -0.09 0.00 0.50 0.00 0.00 46.19 43.00 1r56 s LEU 170 CO 0.00 -0.67 0.73 -0.54 -1.32 0.00 0.00 176.35 174.55 1r56 s LYS 171 N 0.39 4.12 0.56 1.98 1.02 -1.26 -5.06 119.74 121.49 1r56 s LYS 171 Ca 0.62 0.76 -0.18 0.00 0.02 0.00 0.00 55.97 57.19 1r56 s LYS 171 Cb -0.39 -2.65 -0.05 0.00 -0.52 0.00 0.00 37.83 34.22 1r56 s LYS 171 CO 0.36 0.27 1.09 -1.21 -0.92 0.00 0.00 175.35 174.95 1r56 s GLU 172 N -2.50 3.35 -0.00 1.68 2.02 -1.26 -5.01 118.70 116.98 1r56 s GLU 172 Ca 0.49 1.45 -0.04 0.00 0.02 0.00 0.00 54.97 56.88 1r56 s GLU 172 Cb -0.13 -2.02 -0.00 0.00 0.10 0.00 0.00 34.13 32.07 1r56 s GLU 172 CO 0.19 -0.82 0.08 -0.08 0.02 0.00 0.00 175.26 174.65 1r56 s THR 173 N -2.03 0.07 -1.21 3.63 -1.32 -0.42 -5.00 115.64 109.37 1r56 s THR 173 Ca 0.69 -0.61 0.12 0.00 -1.21 0.00 0.00 61.69 60.68 1r56 s THR 173 Cb -0.20 -0.32 0.29 0.00 -1.51 0.00 0.00 72.50 70.75 1r56 s THR 173 CO 0.30 -0.34 1.20 0.79 -2.21 0.00 0.00 174.62 174.36 1r56 n TRP 174 N 1.82 0.40 -3.28 9.09 8.01 -1.26 -1.18 117.44 131.04 1r56 n TRP 174 Ca -0.21 -0.37 0.01 0.00 -1.31 0.00 0.00 57.50 55.62 1r56 n TRP 174 Cb 0.56 -0.02 -0.03 0.00 -2.01 0.00 0.00 31.31 29.82 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 -1.02 -1.13 0.19 -0.99 2.15 -1.24 -4.65 116.67 109.99 1r56 s ASP 175 Ca 0.24 0.94 -0.10 0.00 0.43 0.00 0.00 52.55 54.05 1r56 s ASP 175 Cb 0.13 2.05 -0.01 0.00 -0.30 0.00 0.00 42.92 44.80 1r56 s ASP 175 CO 0.18 -0.26 0.35 0.00 -0.17 0.00 0.00 175.17 175.28 1r56 s ARG 176 N 2.82 1.30 0.11 4.34 1.70 -0.72 -5.01 118.95 123.50 1r56 s ARG 176 Ca 0.14 -1.20 -0.26 0.00 -0.47 0.00 0.00 55.73 53.95 1r56 s ARG 176 Cb -0.14 0.41 -0.07 0.00 -0.57 0.00 0.00 34.95 34.58 1r56 s ARG 176 CO -0.20 -0.50 0.80 0.42 -1.08 0.00 0.00 175.30 174.74 1r56 s ILE 177 N -3.99 4.54 -0.19 4.99 1.01 -1.26 -3.92 121.20 122.38 1r56 s ILE 177 Ca 0.19 1.73 0.01 0.00 0.00 0.00 0.00 60.65 62.58 1r56 s ILE 177 Cb 0.02 -4.16 0.04 0.00 0.01 0.00 0.00 42.46 38.37 1r56 s ILE 177 CO 0.03 0.43 -0.13 -0.22 0.00 0.00 0.00 174.94 175.05 1r56 s LEU 178 N -0.52 2.27 0.04 2.97 2.96 -0.52 -4.85 118.68 121.04 1r56 s LEU 178 Ca 0.38 -0.82 0.05 0.00 -0.22 0.00 0.00 54.13 53.52 1r56 s LEU 178 Cb -0.22 -1.31 -0.02 0.00 0.50 0.00 0.00 46.19 45.14 1r56 s LEU 178 CO 0.25 -0.10 -0.15 -0.55 -1.32 0.00 0.00 176.35 174.48 1r56 s SER 179 N 1.36 1.75 -0.07 3.68 0.15 -1.26 -0.60 113.70 118.72 1r56 s SER 179 Ca 0.00 -0.48 -0.29 0.00 0.70 0.00 0.00 55.95 55.88 1r56 s SER 179 Cb -0.15 -0.11 0.11 0.00 -1.71 0.00 0.00 66.02 64.15 1r56 s SER 179 CO -0.09 0.04 0.88 0.28 1.20 0.00 0.00 173.24 175.55 1r56 s THR 180 N -0.88 0.00 0.15 6.45 -1.32 -0.72 -1.30 115.64 118.02 1r56 s THR 180 Ca 0.02 0.00 -0.12 0.00 -1.21 0.00 0.00 61.69 60.38 1r56 s THR 180 Cb -0.08 -1.00 -0.07 0.00 -1.51 0.00 0.00 72.50 69.84 1r56 s THR 180 CO 0.01 0.00 0.52 -1.81 -2.21 0.00 0.00 174.62 171.14 1r56 s ASP 181 N -1.73 6.74 -0.15 8.08 1.01 -1.08 -2.02 116.67 127.52 1r56 s ASP 181 Ca -0.00 0.99 0.00 0.00 0.71 0.00 0.00 52.55 54.24 1r56 s ASP 181 Cb -0.01 -2.25 -0.01 0.00 1.01 0.00 0.00 42.92 41.67 1r56 s ASP 181 CO -0.02 0.08 -0.14 -0.69 0.21 0.00 0.00 175.17 174.60 1r56 s VAL 182 N -1.53 2.80 -0.20 -1.27 1.01 0.16 -3.57 120.40 117.78 1r56 s VAL 182 Ca 0.39 -0.73 0.02 0.00 0.00 0.00 0.00 61.98 61.66 1r56 s VAL 182 Cb -0.14 -2.18 0.03 0.00 0.00 0.00 0.00 36.38 34.09 1r56 s VAL 182 CO 0.19 0.51 -0.17 -0.62 0.00 0.00 0.00 175.10 175.01 1r56 s ASP 183 N 0.71 3.51 -0.08 3.32 -1.08 -0.95 -3.41 116.67 118.69 1r56 s ASP 183 Ca -0.07 -0.87 0.01 0.00 -0.52 0.00 0.00 52.55 51.11 1r56 s ASP 183 Cb -0.15 -1.50 0.02 0.00 -1.46 0.00 0.00 42.92 39.83 1r56 s ASP 183 CO 0.02 -0.06 -0.09 0.00 0.52 0.00 0.00 175.17 175.56 1r56 s ALA 184 N 1.24 1.18 -0.07 3.66 0.00 -0.32 -1.46 121.76 125.98 1r56 s ALA 184 Ca 0.01 -0.39 0.05 0.00 0.00 0.00 0.00 51.96 51.63 1r56 s ALA 184 Cb -0.15 -0.66 -0.01 0.00 0.00 0.00 0.00 23.12 22.30 1r56 s ALA 184 CO -0.11 -0.09 -0.24 0.99 0.00 0.00 0.00 175.76 176.32 1r56 s THR 185 N 1.06 2.16 -0.15 0.00 2.01 -0.29 -0.50 115.64 119.93 1r56 s THR 185 Ca -0.07 -1.02 0.02 0.00 0.31 0.00 0.00 61.69 60.92 1r56 s THR 185 Cb -0.14 -1.80 0.01 0.00 0.01 0.00 0.00 72.50 70.58 1r56 s THR 185 CO -0.01 0.57 -0.20 -1.66 -0.69 0.00 0.00 174.62 172.62 1r56 s TRP 186 N -0.06 2.62 -0.34 4.92 -2.14 0.53 -0.27 118.94 124.19 1r56 s TRP 186 Ca -0.06 -1.39 -0.15 0.00 2.66 0.00 0.00 56.10 57.16 1r56 s TRP 186 Cb -0.15 -1.80 -0.01 0.00 -3.10 0.00 0.00 33.47 28.41 1r56 s TRP 186 CO 0.05 -0.66 0.34 -1.14 -2.66 0.00 0.00 176.95 172.87 1r56 s GLN 187 N 1.00 3.56 0.68 3.25 0.74 -0.38 -0.83 119.66 127.67 1r56 s GLN 187 Ca -0.03 -0.46 -0.13 0.00 0.05 0.00 0.00 55.36 54.79 1r56 s GLN 187 Cb -0.15 -3.80 0.00 0.00 1.10 0.00 0.00 33.01 30.17 1r56 s GLN 187 CO -0.05 -0.50 1.08 -1.58 -0.55 0.00 0.00 175.29 173.68 1r56 s TRP 188 N 1.96 2.85 0.40 1.67 0.52 -0.55 -0.17 118.94 125.62 1r56 s TRP 188 Ca 0.11 1.50 -0.26 0.00 0.02 0.00 0.00 56.10 57.47 1r56 s TRP 188 Cb -0.17 -3.01 -0.09 0.00 -1.15 0.00 0.00 33.47 29.05 1r56 s TRP 188 CO 0.11 -1.42 1.31 0.21 0.02 0.00 0.00 176.95 177.18 1r56 s LYS 189 N -4.54 3.98 0.34 4.98 2.20 -0.08 -4.64 119.74 121.99 1r56 s LYS 189 Ca 0.62 2.17 -0.27 0.00 -0.36 0.00 0.00 55.97 58.13 1r56 s LYS 189 Cb -0.17 -2.77 -0.12 0.00 -1.51 0.00 0.00 37.83 33.26 1r56 s LYS 189 CO 0.47 -0.48 1.10 -1.71 -0.36 0.00 0.00 175.35 174.37 1r56 n ASN 190 N 0.16 1.78 -4.62 1.43 2.85 -1.26 -4.84 115.26 110.75 1r56 n ASN 190 Ca 0.03 1.15 -0.33 0.00 -0.11 0.00 0.00 54.58 55.33 1r56 n ASN 190 Cb 0.43 -1.37 -0.10 0.00 1.24 0.00 0.00 39.78 39.98 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 -1.13 2.96 0.20 1.20 0.08 -0.75 -4.97 117.98 115.55 1r56 s PHE 191 Ca 0.59 0.01 -0.07 0.00 0.12 0.00 0.00 56.93 57.58 1r56 s PHE 191 Cb -0.61 -1.65 0.12 0.00 -0.57 0.00 0.00 43.02 40.31 1r56 s PHE 191 CO 0.60 0.40 1.61 0.66 -0.10 0.00 0.00 175.22 178.39 1r56 h SER 192 N 4.60 0.89 -0.59 1.36 4.64 -1.93 0.28 113.55 122.80 1r56 h SER 192 Ca -0.49 -0.31 0.04 0.00 -0.47 0.00 0.00 61.79 60.55 1r56 h SER 192 Cb 1.17 -0.24 -0.01 0.00 -0.31 0.00 0.00 62.40 63.01 1r56 h SER 192 CO 0.54 1.06 0.10 0.61 -0.87 0.00 0.00 176.83 178.28 1r56 n GLY 193 N -0.23 0.84 0.24 -0.77 0.00 -1.26 -4.35 105.19 99.65 1r56 n GLY 193 Ca 0.01 -0.90 -0.03 0.00 0.00 0.00 0.00 46.02 45.10 1r56 n GLY 193 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1r56 h LEU 194 N 0.00 0.49 -1.21 0.99 3.38 -1.93 -2.89 115.31 114.13 1r56 h LEU 194 Ca -0.03 0.02 0.10 0.00 0.09 0.00 0.00 57.88 58.07 1r56 h LEU 194 Cb 0.16 -0.07 -0.06 0.00 0.09 0.00 0.00 40.66 40.77 1r56 h LEU 194 CO 0.04 0.33 0.57 -0.61 0.09 0.00 0.00 178.44 178.87 1r56 h GLN 195 N 0.62 0.83 -0.07 1.13 4.15 -1.99 0.30 115.11 120.08 1r56 h GLN 195 Ca 0.26 -0.05 -0.02 0.00 0.77 0.00 0.00 58.65 59.61 1r56 h GLN 195 Cb 0.14 -0.19 -0.00 0.00 0.21 0.00 0.00 27.48 27.64 1r56 h GLN 195 CO -0.16 0.55 -0.03 1.49 -1.93 0.00 0.00 178.83 178.75 1r56 h GLU 196 N 0.85 0.15 -0.39 1.69 4.81 -1.93 -2.03 114.58 117.73 1r56 h GLU 196 Ca 0.42 -0.06 0.06 0.00 -0.13 0.00 0.00 59.36 59.65 1r56 h GLU 196 Cb 0.45 -0.01 -0.09 0.00 0.63 0.00 0.00 28.75 29.73 1r56 h GLU 196 CO -0.18 0.50 -0.46 0.28 -0.73 0.00 0.00 179.01 178.42 1r56 h VAL 197 N -0.21 0.09 -0.86 0.32 2.07 -1.17 0.11 116.25 116.60 1r56 h VAL 197 Ca 0.02 0.00 0.18 0.00 0.82 0.00 0.00 66.70 67.71 1r56 h VAL 197 Cb 0.45 0.09 -0.06 0.00 -1.52 0.00 0.00 31.29 30.24 1r56 h VAL 197 CO 0.01 0.00 0.57 0.03 0.02 0.00 0.00 177.57 178.20 1r56 h ARG 198 N -0.35 0.45 0.00 1.57 3.08 -0.36 0.75 114.38 119.52 1r56 h ARG 198 Ca 0.12 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 60.14 1r56 h ARG 198 Cb 0.59 -0.10 -0.00 0.00 0.08 0.00 0.00 29.97 30.54 1r56 h ARG 198 CO -0.57 0.30 -0.04 0.66 -1.07 0.00 0.00 179.97 179.25 1r56 h SER 199 N 0.46 0.00 -0.14 7.04 4.64 -0.03 -2.97 113.55 122.56 1r56 h SER 199 Ca 0.44 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.76 1r56 h SER 199 Cb 1.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.09 1r56 h SER 199 CO -0.17 0.04 0.00 1.41 -0.87 0.00 0.00 176.83 177.24 1r56 n HIS 200 N -3.22 0.16 -0.29 4.77 8.25 0.24 -4.77 115.22 120.36 1r56 n HIS 200 Ca -0.01 -0.13 0.01 0.00 -0.26 0.00 0.00 57.72 57.33 1r56 n HIS 200 Cb 0.23 -0.01 0.06 0.00 1.12 0.00 0.00 29.99 31.40 1r56 n HIS 200 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 1r56 n VAL 201 N 0.83 -0.38 0.31 1.59 0.31 -1.08 -0.37 118.33 119.53 1r56 n VAL 201 Ca 0.10 1.82 0.18 0.00 -0.01 0.00 0.00 64.34 66.44 1r56 n VAL 201 Cb 0.40 -2.45 1.01 0.00 -0.91 0.00 0.00 33.84 31.88 1r56 n VAL 201 CO 0.00 0.00 0.00 -0.65 -1.32 0.00 0.00 176.83 174.86 1r56 h PRO 202 N 0.00 0.00 -0.16 5.55 0.11 -1.87 -2.56 132.00 133.07 1r56 h PRO 202 Ca 0.31 0.00 -0.13 0.00 0.11 0.00 0.00 66.00 66.30 1r56 h PRO 202 Cb 0.51 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.61 1r56 h PRO 202 CO -0.79 0.01 -0.45 0.87 -0.21 0.00 0.00 178.00 177.43 1r56 h LYS 203 N 0.00 0.39 0.37 1.05 1.57 -1.09 -3.29 116.57 115.58 1r56 h LYS 203 Ca -0.00 -0.21 -0.01 0.00 -1.87 0.00 0.00 60.65 58.56 1r56 h LYS 203 Cb 0.06 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.36 1r56 h LYS 203 CO 0.00 0.77 -0.32 0.74 -0.57 0.00 0.00 179.45 180.07 1r56 h PHE 204 N 0.32 -0.87 -0.67 -1.35 0.04 -1.53 -0.90 116.94 111.98 1r56 h PHE 204 Ca 0.02 0.00 -0.04 0.00 2.80 0.00 0.00 57.97 60.76 1r56 h PHE 204 Cb 0.92 0.33 -0.03 0.00 2.20 0.00 0.00 35.95 39.37 1r56 h PHE 204 CO 0.03 -0.47 0.27 -0.44 -0.60 0.00 0.00 178.31 177.10 1r56 h ASP 205 N -0.71 0.91 -0.12 2.17 3.32 -1.74 -2.11 116.42 118.14 1r56 h ASP 205 Ca -0.03 -0.13 -0.18 0.00 0.02 0.00 0.00 57.03 56.71 1r56 h ASP 205 Cb 0.63 -0.23 -0.00 0.00 0.22 0.00 0.00 39.33 39.94 1r56 h ASP 205 CO -0.03 0.81 -0.59 0.00 -1.72 0.00 0.00 179.24 177.71 1r56 h ALA 206 N 1.32 0.54 -0.44 3.45 0.00 -1.61 -2.45 119.26 120.08 1r56 h ALA 206 Ca 0.23 -0.53 -0.14 0.00 0.00 0.00 0.00 54.91 54.46 1r56 h ALA 206 Cb 0.18 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 1r56 h ALA 206 CO -0.02 0.69 -0.29 1.15 0.00 0.00 0.00 179.25 180.78 1r56 h THR 207 N 0.54 1.27 -0.79 0.00 2.02 -0.95 -1.74 112.91 113.25 1r56 h THR 207 Ca 0.00 -1.45 -0.01 0.00 0.77 0.00 0.00 66.41 65.72 1r56 h THR 207 Cb 1.17 1.23 -0.04 0.00 -1.74 0.00 0.00 68.15 68.78 1r56 h THR 207 CO 0.12 0.49 0.47 -0.25 0.37 0.00 0.00 175.52 176.72 1r56 h TRP 208 N 0.81 1.06 -0.44 3.16 7.01 -1.38 -0.37 115.95 125.79 1r56 h TRP 208 Ca 0.09 -0.01 -0.06 0.00 2.11 0.00 0.00 58.89 61.02 1r56 h TRP 208 Cb 0.87 -0.35 -0.02 0.00 -2.10 0.00 0.00 29.16 27.56 1r56 h TRP 208 CO 0.06 0.72 0.02 0.00 -2.79 0.00 0.00 178.44 176.44 1r56 h ALA 209 N 1.25 1.20 -0.13 2.65 0.00 -1.24 -2.38 119.26 120.61 1r56 h ALA 209 Ca 0.28 -0.24 -0.22 0.00 0.00 0.00 0.00 54.91 54.74 1r56 h ALA 209 Cb -0.02 -0.18 0.01 0.00 0.00 0.00 0.00 17.79 17.60 1r56 h ALA 209 CO -0.05 0.53 -0.78 1.15 0.00 0.00 0.00 179.25 180.09 1r56 h THR 210 N 0.67 1.28 -0.85 0.00 2.02 -0.76 -2.25 112.91 113.02 1r56 h THR 210 Ca 0.14 -1.99 -0.02 0.00 0.77 0.00 0.00 66.41 65.32 1r56 h THR 210 Cb 0.39 2.04 -0.04 0.00 -1.74 0.00 0.00 68.15 68.80 1r56 h THR 210 CO 0.01 0.63 0.47 0.00 0.37 0.00 0.00 175.52 177.00 1r56 h ALA 211 N 0.53 1.22 -0.23 6.16 0.00 -0.89 0.10 119.26 126.14 1r56 h ALA 211 Ca -0.06 -0.12 -0.08 0.00 0.00 0.00 0.00 54.91 54.65 1r56 h ALA 211 Cb 1.42 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.86 1r56 h ALA 211 CO 0.16 0.63 -0.15 -0.09 0.00 0.00 0.00 179.25 179.80 1r56 h ARG 212 N 1.19 0.51 -0.31 0.00 2.43 -1.41 -1.39 114.38 115.40 1r56 h ARG 212 Ca 0.30 -0.24 -0.16 0.00 -0.81 0.00 0.00 59.98 59.07 1r56 h ARG 212 Cb 0.02 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.56 1r56 h ARG 212 CO -0.05 0.80 -0.43 1.49 -1.51 0.00 0.00 179.97 180.27 1r56 h GLU 213 N 0.22 0.80 -0.58 0.20 4.81 -1.20 -0.89 114.58 117.93 1r56 h GLU 213 Ca 0.05 -0.44 -0.07 0.00 -0.13 0.00 0.00 59.36 58.77 1r56 h GLU 213 Cb 0.67 0.02 -0.02 0.00 0.63 0.00 0.00 28.75 30.05 1r56 h GLU 213 CO 0.04 1.07 0.08 0.28 -0.73 0.00 0.00 179.01 179.75 1r56 h VAL 214 N 0.64 1.26 0.02 0.32 2.07 -0.81 -1.75 116.25 118.00 1r56 h VAL 214 Ca 0.04 -1.01 -0.00 0.00 0.82 0.00 0.00 66.70 66.55 1r56 h VAL 214 Cb 1.00 0.78 0.00 0.00 -1.52 0.00 0.00 31.29 31.55 1r56 h VAL 214 CO 0.10 0.37 -0.01 0.74 0.02 0.00 0.00 177.57 178.78 1r56 h THR 215 N 0.87 1.06 -0.65 2.57 2.02 -0.91 -1.98 112.91 115.90 1r56 h THR 215 Ca 0.18 -0.26 -0.07 0.00 0.77 0.00 0.00 66.41 67.02 1r56 h THR 215 Cb 0.44 1.24 -0.03 0.00 -1.74 0.00 0.00 68.15 68.06 1r56 h THR 215 CO 0.01 0.07 0.14 -0.07 0.37 0.00 0.00 175.52 176.04 1r56 h LEU 216 N -0.15 0.99 -0.06 2.58 4.07 -1.12 -2.38 115.31 119.25 1r56 h LEU 216 Ca -0.00 -0.21 -0.04 0.00 0.08 0.00 0.00 57.88 57.70 1r56 h LEU 216 Cb 0.14 -0.26 0.00 0.00 1.08 0.00 0.00 40.66 41.62 1r56 h LEU 216 CO 0.01 0.97 -0.13 0.50 -1.08 0.00 0.00 178.44 178.70 1r56 h LYS 217 N 0.99 0.20 -0.59 1.13 3.64 -1.29 -2.32 116.57 118.34 1r56 h LYS 217 Ca 0.20 -0.13 -0.10 0.00 -1.27 0.00 0.00 60.65 59.36 1r56 h LYS 217 Cb 0.38 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.20 1r56 h LYS 217 CO 0.01 0.72 -0.01 1.15 -2.27 0.00 0.00 179.45 179.05 1r56 h THR 218 N -0.29 1.26 0.03 1.00 2.02 -1.41 -0.84 112.91 114.69 1r56 h THR 218 Ca 0.00 -1.16 -0.00 0.00 0.77 0.00 0.00 66.41 66.02 1r56 h THR 218 Cb 0.72 0.82 0.00 0.00 -1.74 0.00 0.00 68.15 67.95 1r56 h THR 218 CO 0.03 0.42 -0.02 0.15 0.37 0.00 0.00 175.52 176.47 1r56 h PHE 219 N 0.95 -0.04 -0.64 3.16 3.57 -1.48 0.37 116.94 122.84 1r56 h PHE 219 Ca 0.17 -0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.61 1r56 h PHE 219 Cb 0.56 0.01 -0.03 0.00 2.79 0.00 0.00 35.95 39.29 1r56 h PHE 219 CO 0.04 -0.01 0.20 0.00 -2.23 0.00 0.00 178.31 176.30 1r56 h ALA 220 N 0.91 0.84 0.00 2.41 0.00 -1.37 -3.31 119.26 118.74 1r56 h ALA 220 Ca -0.00 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.68 1r56 h ALA 220 Cb 0.05 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.58 1r56 h ALA 220 CO 0.01 0.51 -1.40 0.39 0.00 0.00 0.00 179.25 178.76 1r56 n GLU 221 N -4.36 0.63 -2.40 0.00 1.02 -0.32 -4.87 120.64 110.34 1r56 n GLU 221 Ca 0.04 0.02 -0.42 0.00 -0.02 0.00 0.00 57.16 56.77 1r56 n GLU 221 Cb 0.22 -1.71 -0.03 0.00 -0.02 0.00 0.00 31.44 29.90 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 -5.10 6.99 -0.70 1.62 2.15 0.12 -4.96 116.67 116.78 1r56 s ASP 222 Ca -0.03 1.88 -0.06 0.00 0.43 0.00 0.00 52.55 54.76 1r56 s ASP 222 Cb 0.11 -2.56 0.18 0.00 -0.30 0.00 0.00 42.92 40.35 1r56 s ASP 222 CO 0.83 -0.63 0.56 0.21 -0.17 0.00 0.00 175.17 175.97 1r56 s ASN 223 N 1.63 5.71 0.13 -0.34 2.47 -1.26 -4.88 114.94 118.39 1r56 s ASN 223 Ca 0.58 -2.88 0.06 0.00 0.42 0.00 0.00 52.86 51.04 1r56 s ASN 223 Cb -0.26 -1.96 -0.04 0.00 -1.45 0.00 0.00 41.25 37.54 1r56 s ASN 223 CO 0.22 -0.41 -0.13 -0.55 -3.72 0.00 0.00 177.10 172.51 1r56 s SER 224 N 1.03 1.97 0.00 -4.21 0.15 -1.26 -4.98 113.70 106.40 1r56 s SER 224 Ca 0.18 -0.86 0.21 0.00 0.70 0.00 0.00 55.95 56.18 1r56 s SER 224 Cb -0.17 -0.06 0.53 0.00 -1.71 0.00 0.00 66.02 64.61 1r56 s SER 224 CO -0.05 -0.18 1.45 0.00 1.20 0.00 0.00 173.24 175.65 1r56 n ALA 225 N 0.35 2.42 -3.55 5.45 0.00 -1.26 -2.19 120.51 121.73 1r56 n ALA 225 Ca -0.14 -0.99 -0.26 0.00 0.00 0.00 0.00 53.44 52.06 1r56 n ALA 225 Cb 0.58 -0.94 -0.15 0.00 0.00 0.00 0.00 19.45 18.94 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 -1.28 2.63 0.28 0.00 0.15 -1.26 -4.49 113.70 109.73 1r56 s SER 226 Ca 0.40 -0.83 -0.01 0.00 0.70 0.00 0.00 55.95 56.20 1r56 s SER 226 Cb 0.22 -0.15 0.45 0.00 -1.71 0.00 0.00 66.02 64.82 1r56 s SER 226 CO 0.30 -0.38 1.89 0.58 1.20 0.00 0.00 173.24 176.82 1r56 h VAL 227 N 6.39 1.08 -0.59 4.45 2.07 -1.91 -1.93 116.25 125.80 1r56 h VAL 227 Ca -0.17 -0.39 0.11 0.00 0.82 0.00 0.00 66.70 67.07 1r56 h VAL 227 Cb 1.09 -0.15 -0.09 0.00 -1.52 0.00 0.00 31.29 30.62 1r56 h VAL 227 CO 0.35 0.21 0.11 1.56 0.02 0.00 0.00 177.57 179.82 1r56 h GLN 228 N 1.13 0.24 -0.39 1.57 7.50 -2.00 -0.36 115.11 122.81 1r56 h GLN 228 Ca 0.42 -0.01 -0.09 0.00 0.50 0.00 0.00 58.65 59.47 1r56 h GLN 228 Cb 0.18 -0.05 -0.02 0.00 0.05 0.00 0.00 27.48 27.64 1r56 h GLN 228 CO -0.17 0.16 -0.14 0.00 -1.50 0.00 0.00 178.83 177.18 1r56 h ALA 229 N 1.48 1.04 -0.50 3.87 0.00 -1.78 -2.23 119.26 121.13 1r56 h ALA 229 Ca 0.31 -0.32 -0.07 0.00 0.00 0.00 0.00 54.91 54.83 1r56 h ALA 229 Cb 0.46 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 1r56 h ALA 229 CO -0.40 0.58 0.04 1.15 0.00 0.00 0.00 179.25 180.61 1r56 h THR 230 N 0.63 1.26 -0.48 0.00 2.02 -0.85 -2.33 112.91 113.15 1r56 h THR 230 Ca 0.11 -1.02 -0.08 0.00 0.77 0.00 0.00 66.41 66.19 1r56 h THR 230 Cb 0.59 0.94 -0.02 0.00 -1.74 0.00 0.00 68.15 67.92 1r56 h THR 230 CO 0.04 0.36 -0.01 0.00 0.37 0.00 0.00 175.52 176.28 1r56 h MET 231 N 0.72 0.81 -0.74 6.66 -0.00 -0.93 -1.78 114.93 119.68 1r56 h MET 231 Ca 0.15 -0.23 -0.03 0.00 -0.00 0.00 0.00 59.70 59.60 1r56 h MET 231 Cb 0.46 -0.09 -0.03 0.00 -0.00 0.00 0.00 31.60 31.94 1r56 h MET 231 CO 0.02 0.82 0.36 -0.92 -0.00 0.00 0.00 176.91 177.19 1r56 h TYR 232 N 0.76 1.06 -0.59 -0.10 3.20 -1.37 -0.64 116.97 119.28 1r56 h TYR 232 Ca 0.14 -0.05 -0.06 0.00 3.14 0.00 0.00 58.73 61.90 1r56 h TYR 232 Cb 0.47 -0.33 -0.03 0.00 1.54 0.00 0.00 36.73 38.39 1r56 h TYR 232 CO 0.03 0.77 0.11 0.87 -1.64 0.00 0.00 178.16 178.30 1r56 h LYS 233 N 1.03 0.94 -0.15 1.82 1.57 -1.10 -1.32 116.57 119.36 1r56 h LYS 233 Ca 0.25 -0.22 -0.00 0.00 -1.87 0.00 0.00 60.65 58.81 1r56 h LYS 233 Cb 0.11 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.28 1r56 h LYS 233 CO -0.03 0.86 0.09 0.52 -0.57 0.00 0.00 179.45 180.32 1r56 h MET 234 N 0.90 0.21 -0.67 3.15 2.86 -0.59 -2.74 114.93 118.04 1r56 h MET 234 Ca 0.19 -0.02 -0.01 0.00 -2.06 0.00 0.00 59.70 57.80 1r56 h MET 234 Cb 0.37 -0.04 -0.03 0.00 0.06 0.00 0.00 31.60 31.96 1r56 h MET 234 CO 0.01 0.19 0.39 0.00 1.06 0.00 0.00 176.91 178.56 1r56 h ALA 235 N 1.00 0.85 -0.76 6.32 0.00 -0.75 -2.72 119.26 123.20 1r56 h ALA 235 Ca 0.05 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 1r56 h ALA 235 Cb 0.04 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 17.53 1r56 h ALA 235 CO -0.01 0.34 0.38 0.93 0.00 0.00 0.00 179.25 180.89 1r56 h GLU 236 N 0.91 1.09 -0.39 0.00 5.08 -1.22 -1.20 114.58 118.84 1r56 h GLU 236 Ca 0.24 -0.15 -0.10 0.00 -1.00 0.00 0.00 59.36 58.35 1r56 h GLU 236 Cb -0.01 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 29.03 1r56 h GLU 236 CO -0.04 0.84 -0.15 1.96 -1.00 0.00 0.00 179.01 180.62 1r56 h GLN 237 N 1.07 0.72 -0.20 2.33 4.20 -1.37 -1.64 115.11 120.22 1r56 h GLN 237 Ca 0.26 -0.25 -0.18 0.00 0.06 0.00 0.00 58.65 58.54 1r56 h GLN 237 Cb 0.09 -0.06 -0.00 0.00 0.30 0.00 0.00 27.48 27.82 1r56 h GLN 237 CO -0.04 0.83 -0.61 0.82 -0.67 0.00 0.00 178.83 179.17 1r56 h ILE 238 N 0.65 1.31 -0.57 2.54 2.04 -1.16 -2.35 117.51 119.96 1r56 h ILE 238 Ca 0.11 -1.85 -0.09 0.00 1.00 0.00 0.00 64.86 64.03 1r56 h ILE 238 Cb 0.61 1.80 -0.02 0.00 -0.74 0.00 0.00 36.82 38.47 1r56 h ILE 238 CO 0.04 0.58 -0.00 -0.07 0.00 0.00 0.00 178.15 178.70 1r56 h LEU 239 N 0.51 0.96 -1.52 1.44 3.38 -1.14 -2.61 115.31 116.33 1r56 h LEU 239 Ca -0.00 -0.26 -0.03 0.00 0.09 0.00 0.00 57.88 57.67 1r56 h LEU 239 Cb 1.19 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 41.68 1r56 h LEU 239 CO 0.12 1.02 -0.16 0.00 0.09 0.00 0.00 178.44 179.51 1r56 h ALA 240 N 1.08 1.11 0.00 1.53 0.00 -1.19 -3.05 119.26 118.74 1r56 h ALA 240 Ca 0.16 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1r56 h ALA 240 Cb 0.53 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1r56 h ALA 240 CO 0.03 0.19 -1.03 0.54 0.00 0.00 0.00 179.25 178.99 1r56 n ARG 241 N -3.44 0.20 -3.51 0.00 1.74 -0.90 -4.82 116.66 105.93 1r56 n ARG 241 Ca -0.01 -0.02 -0.23 0.00 -0.77 0.00 0.00 57.85 56.82 1r56 n ARG 241 Cb 0.33 -1.55 -0.14 0.00 -1.02 0.00 0.00 32.46 30.08 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 -3.14 0.19 0.43 5.56 2.00 -1.01 -5.01 119.66 118.68 1r56 s GLN 242 Ca 0.05 -0.19 0.23 0.00 -2.00 0.00 0.00 55.36 53.45 1r56 s GLN 242 Cb 0.15 -1.20 0.91 0.00 0.80 0.00 0.00 33.01 33.67 1r56 s GLN 242 CO 0.81 -0.87 1.83 0.37 -0.50 0.00 0.00 175.29 176.93 1r56 h GLN 243 N 8.36 0.00 0.00 1.67 5.75 -1.88 -2.68 115.11 126.33 1r56 h GLN 243 Ca -0.17 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.33 1r56 h GLN 243 Cb 1.08 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.63 1r56 h GLN 243 CO 0.35 0.25 0.00 1.28 -2.65 0.00 0.00 178.83 178.06 1r56 n LEU 244 N -3.46 0.00 -4.75 -2.39 4.32 -1.26 -4.71 117.00 104.74 1r56 n LEU 244 Ca -0.00 0.25 -0.37 0.00 -0.02 0.00 0.00 56.01 55.87 1r56 n LEU 244 Cb 0.43 -0.25 -0.06 0.00 -1.62 0.00 0.00 43.42 41.91 1r56 n LEU 244 CO 0.34 -0.09 0.08 -0.63 -1.22 0.00 0.00 177.39 175.87 1r56 s ILE 245 N -2.50 5.20 -0.21 -0.08 -1.09 -1.01 -0.90 121.20 120.61 1r56 s ILE 245 Ca 0.20 0.76 -0.09 0.00 -2.23 0.00 0.00 60.65 59.29 1r56 s ILE 245 Cb 0.14 -3.71 -0.20 0.00 -1.58 0.00 0.00 42.46 37.11 1r56 s ILE 245 CO 0.30 0.41 0.03 -0.62 -1.23 0.00 0.00 174.94 173.84 1r56 n GLU 246 N 3.17 0.66 -3.99 2.79 1.02 0.76 -4.87 120.64 120.17 1r56 n GLU 246 Ca -0.11 0.30 -0.09 0.00 -0.02 0.00 0.00 57.16 57.25 1r56 n GLU 246 Cb 0.52 -1.62 -0.10 0.00 -0.02 0.00 0.00 31.44 30.21 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 -2.50 0.15 -0.03 2.62 -4.23 -1.21 -3.78 115.64 106.65 1r56 s THR 247 Ca -0.30 -1.22 0.05 0.00 -1.18 0.00 0.00 61.69 59.03 1r56 s THR 247 Cb 0.09 -0.85 -0.01 0.00 1.34 0.00 0.00 72.50 73.07 1r56 s THR 247 CO 0.63 -0.68 -0.19 -0.69 -0.54 0.00 0.00 174.62 173.16 1r56 s VAL 248 N -2.57 1.56 -0.04 2.29 1.01 -0.54 -1.25 120.40 120.86 1r56 s VAL 248 Ca -0.05 -0.81 0.04 0.00 0.00 0.00 0.00 61.98 61.16 1r56 s VAL 248 Cb -0.02 -1.32 -0.00 0.00 0.00 0.00 0.00 36.38 35.04 1r56 s VAL 248 CO -0.05 0.44 -0.16 -0.70 0.00 0.00 0.00 175.10 174.64 1r56 s GLU 249 N -0.18 1.66 0.03 2.72 2.12 0.63 0.14 118.70 125.81 1r56 s GLU 249 Ca 0.00 -0.55 0.09 0.00 0.36 0.00 0.00 54.97 54.87 1r56 s GLU 249 Cb -0.10 -1.44 -0.03 0.00 0.26 0.00 0.00 34.13 32.82 1r56 s GLU 249 CO 0.01 0.21 -0.26 0.71 -0.54 0.00 0.00 175.26 175.39 1r56 s TYR 250 N 0.10 2.30 -0.12 5.30 2.02 -0.41 -1.13 117.35 125.41 1r56 s TYR 250 Ca -0.04 -0.42 -0.01 0.00 -0.37 0.00 0.00 57.07 56.23 1r56 s TYR 250 Cb -0.11 -1.41 0.04 0.00 -0.40 0.00 0.00 41.96 40.07 1r56 s TYR 250 CO 0.02 0.07 -0.03 0.45 -1.57 0.00 0.00 175.55 174.50 1r56 s SER 251 N -1.05 2.25 -0.32 2.29 0.15 -0.53 -1.98 113.70 114.51 1r56 s SER 251 Ca 0.11 -0.40 0.03 0.00 0.70 0.00 0.00 55.95 56.39 1r56 s SER 251 Cb -0.10 -0.68 0.09 0.00 -1.71 0.00 0.00 66.02 63.62 1r56 s SER 251 CO 0.01 -0.19 0.01 -0.76 1.20 0.00 0.00 173.24 173.52 1r56 s LEU 252 N 1.81 4.38 -0.62 3.45 1.43 0.13 -2.25 118.68 127.02 1r56 s LEU 252 Ca 0.03 -1.88 -0.23 0.00 -1.03 0.00 0.00 54.13 51.02 1r56 s LEU 252 Cb -0.14 -1.63 0.06 0.00 0.03 0.00 0.00 46.19 44.51 1r56 s LEU 252 CO -0.07 -0.33 0.96 -2.84 0.23 0.00 0.00 176.35 174.30 1r56 s PRO 253 N 1.00 3.18 1.06 1.29 0.02 -1.23 -1.95 135.00 138.37 1r56 s PRO 253 Ca 0.04 -0.62 -0.14 0.00 0.02 0.00 0.00 61.00 60.30 1r56 s PRO 253 Cb -0.20 -4.16 0.14 0.00 0.02 0.00 0.00 34.50 30.30 1r56 s PRO 253 CO -0.06 -1.71 0.56 0.09 -0.33 0.00 0.00 177.00 175.55 1r56 n ASN 254 N 7.66 -1.68 -3.63 2.53 5.03 -0.09 -2.64 115.26 122.45 1r56 n ASN 254 Ca -0.02 0.08 -0.23 0.00 0.87 0.00 0.00 54.58 55.28 1r56 n ASN 254 Cb 0.46 -1.19 -0.17 0.00 -1.02 0.00 0.00 39.78 37.86 1r56 n ASN 254 CO 0.00 0.00 0.00 -0.54 -1.83 0.00 0.00 177.26 174.89 1r56 s LYS 255 N -3.94 0.02 0.23 3.52 1.02 -0.42 -4.39 119.74 115.78 1r56 s LYS 255 Ca 0.61 0.11 -0.24 0.00 0.02 0.00 0.00 55.97 56.47 1r56 s LYS 255 Cb -0.20 -1.32 -0.09 0.00 -0.52 0.00 0.00 37.83 35.71 1r56 s LYS 255 CO 0.65 -0.55 0.82 -1.01 -0.92 0.00 0.00 175.35 174.34 1r56 s HIS 256 N 2.17 3.78 -0.23 3.18 3.76 -1.26 -4.10 115.29 122.58 1r56 s HIS 256 Ca 0.03 1.62 0.00 0.00 -0.15 0.00 0.00 55.06 56.57 1r56 s HIS 256 Cb -0.15 -2.78 0.06 0.00 1.11 0.00 0.00 32.58 30.83 1r56 s HIS 256 CO -0.07 0.38 -0.04 0.71 -0.85 0.00 0.00 174.74 174.87 1r56 s TYR 257 N -1.39 2.19 0.17 1.40 1.51 -1.26 -0.65 117.35 119.32 1r56 s TYR 257 Ca 0.42 -1.63 -0.19 0.00 -1.01 0.00 0.00 57.07 54.67 1r56 s TYR 257 Cb -0.20 -1.51 -0.08 0.00 -0.11 0.00 0.00 41.96 40.07 1r56 s TYR 257 CO 0.24 -0.75 0.65 -0.06 -1.11 0.00 0.00 175.55 174.52 1r56 s PHE 258 N 1.46 3.69 0.59 2.71 0.08 -0.97 -4.88 117.98 120.66 1r56 s PHE 258 Ca -0.05 1.30 -0.17 0.00 0.12 0.00 0.00 56.93 58.12 1r56 s PHE 258 Cb -0.19 -2.54 -0.03 0.00 -0.57 0.00 0.00 43.02 39.69 1r56 s PHE 258 CO -0.07 0.43 1.12 -1.21 -0.10 0.00 0.00 175.22 175.39 1r56 s GLU 259 N -1.74 3.13 -0.19 0.44 2.02 -1.26 -0.91 118.70 120.18 1r56 s GLU 259 Ca 0.38 1.50 0.01 0.00 0.02 0.00 0.00 54.97 56.88 1r56 s GLU 259 Cb -0.17 -1.98 0.02 0.00 0.10 0.00 0.00 34.13 32.09 1r56 s GLU 259 CO 0.21 -1.01 -0.17 0.42 0.02 0.00 0.00 175.26 174.72 1r56 s ILE 260 N -2.04 2.19 -0.31 -1.63 1.01 -1.25 -4.82 121.20 114.35 1r56 s ILE 260 Ca 0.70 -0.98 -0.29 0.00 0.00 0.00 0.00 60.65 60.07 1r56 s ILE 260 Cb -0.22 -1.97 0.01 0.00 0.01 0.00 0.00 42.46 40.29 1r56 s ILE 260 CO 0.33 0.46 1.15 -0.62 0.00 0.00 0.00 174.94 176.27 1r56 s ASP 261 N 1.28 6.85 -0.03 3.58 -1.08 -1.26 -4.57 116.67 121.44 1r56 s ASP 261 Ca 0.03 1.11 0.13 0.00 -0.52 0.00 0.00 52.55 53.30 1r56 s ASP 261 Cb -0.14 -2.54 0.38 0.00 -1.46 0.00 0.00 42.92 39.16 1r56 s ASP 261 CO -0.11 -0.95 1.32 0.18 0.52 0.00 0.00 175.17 176.13 1r56 n LEU 262 N 7.11 3.22 0.30 -1.34 4.77 -1.26 -4.74 117.00 125.06 1r56 n LEU 262 Ca 0.13 -2.16 0.18 0.00 -0.03 0.00 0.00 56.01 54.14 1r56 n LEU 262 Cb 0.47 -0.31 0.92 0.00 -2.33 0.00 0.00 43.42 42.17 1r56 n LEU 262 CO 0.61 0.75 1.07 0.77 -1.33 0.00 0.00 177.39 179.25 1r56 h SER 263 N 2.26 0.00 0.81 -1.43 4.64 -1.79 -0.08 113.55 117.96 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 0.88 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.97 1r56 h SER 263 CO 0.04 0.03 0.00 4.11 -0.87 0.00 0.00 176.83 180.14 1r56 h TRP 264 N 0.00 0.00 -3.39 4.77 5.08 -1.85 -1.83 115.95 118.73 1r56 h TRP 264 Ca -0.00 0.00 -0.74 0.00 1.08 0.00 0.00 58.89 59.23 1r56 h TRP 264 Cb 0.25 0.00 -0.29 0.00 -3.00 0.00 0.00 29.16 26.12 1r56 h TRP 264 CO 0.00 0.00 -0.28 -1.58 -1.28 0.00 0.00 178.44 175.30 1r56 s HIS 265 N -3.41 3.46 -1.13 0.12 5.04 -0.05 -4.63 115.29 114.69 1r56 s HIS 265 Ca 0.03 -1.93 0.00 0.00 -1.54 0.00 0.00 55.06 51.62 1r56 s HIS 265 Cb 0.09 -3.56 0.00 0.00 0.04 0.00 0.00 32.58 29.16 1r56 s HIS 265 CO 0.43 -0.98 0.00 1.63 -2.34 0.00 0.00 174.74 173.49 1r56 n LYS 266 N 4.61 -2.17 -2.52 2.88 5.02 -1.26 -0.88 118.16 123.84 1r56 n LYS 266 Ca -0.03 0.64 -0.20 0.00 -2.02 0.00 0.00 58.31 56.70 1r56 n LYS 266 Cb 0.41 -5.25 -0.00 0.00 -0.02 0.00 0.00 35.03 30.17 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 -0.83 -0.50 3.75 0.72 0.00 -0.69 -4.92 105.19 102.73 1r56 n GLY 267 Ca -0.16 0.02 -0.41 0.00 0.00 0.00 0.00 46.02 45.47 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 -6.07 4.35 -0.29 0.99 2.96 -0.06 -4.83 118.68 115.73 1r56 s LEU 268 Ca 0.05 2.93 -0.06 0.00 -0.22 0.00 0.00 54.13 56.83 1r56 s LEU 268 Cb -0.02 -3.64 0.01 0.00 0.50 0.00 0.00 46.19 43.04 1r56 s LEU 268 CO 0.06 -0.88 0.07 -1.10 -1.32 0.00 0.00 176.35 173.19 1r56 s GLN 269 N -0.74 3.09 0.00 1.98 -1.52 -1.26 -2.37 119.66 118.84 1r56 s GLN 269 Ca 0.61 -0.86 0.21 0.00 -1.95 0.00 0.00 55.36 53.38 1r56 s GLN 269 Cb -0.47 -3.34 0.35 0.00 -0.22 0.00 0.00 33.01 29.33 1r56 s GLN 269 CO 0.50 -0.43 1.14 -1.71 -0.25 0.00 0.00 175.29 174.53 1r56 n ASN 270 N 4.85 0.78 -4.36 5.90 5.15 -1.26 -4.75 115.26 121.57 1r56 n ASN 270 Ca -0.15 -1.99 -0.21 0.00 -0.60 0.00 0.00 54.58 51.63 1r56 n ASN 270 Cb 0.48 -0.26 -0.10 0.00 -0.53 0.00 0.00 39.78 39.36 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 1.91 0.00 -0.44 -4.23 -1.26 -3.78 115.64 107.84 1r56 s THR 271 Ca 0.28 -2.14 0.00 0.00 -1.18 0.00 0.00 61.69 58.65 1r56 s THR 271 Cb 0.32 -2.02 0.00 0.00 1.34 0.00 0.00 72.50 72.14 1r56 s THR 271 CO -0.14 -0.45 0.00 0.61 -0.54 0.00 0.00 174.62 174.10 1r56 n GLY 272 N -0.17 3.57 0.06 3.99 0.00 -1.26 -1.30 105.19 110.09 1r56 n GLY 272 Ca -0.09 -0.12 0.07 0.00 0.00 0.00 0.00 46.02 45.88 1r56 n GLY 272 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1r56 n LYS 273 N 14.00 0.07 -0.06 1.61 2.85 -1.26 -1.62 118.16 133.76 1r56 n LYS 273 Ca 0.00 0.45 0.11 0.00 -1.05 0.00 0.00 58.31 57.82 1r56 n LYS 273 Cb 0.00 -1.68 0.12 0.00 -0.65 0.00 0.00 35.03 32.82 1r56 n LYS 273 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 1r56 n ASN 274 N -1.83 2.97 -4.66 -5.58 4.13 -0.42 -4.97 115.26 104.89 1r56 n ASN 274 Ca 0.01 -1.92 -0.42 0.00 1.68 0.00 0.00 54.58 53.93 1r56 n ASN 274 Cb 0.10 -0.07 -0.03 0.00 -1.54 0.00 0.00 39.78 38.24 1r56 n ASN 274 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1r56 s ALA 275 N -1.67 3.62 0.00 5.41 0.00 -0.64 -4.20 121.76 124.28 1r56 s ALA 275 Ca 0.28 1.20 0.00 0.00 0.00 0.00 0.00 51.96 53.44 1r56 s ALA 275 Cb 0.19 -3.79 0.00 0.00 0.00 0.00 0.00 23.12 19.51 1r56 s ALA 275 CO 0.28 -1.45 0.00 0.39 0.00 0.00 0.00 175.76 174.98 1r56 n GLU 276 N 7.10 0.37 -3.97 0.00 1.02 -1.26 -4.95 120.64 118.95 1r56 n GLU 276 Ca 0.19 0.00 -0.35 0.00 -0.02 0.00 0.00 57.16 56.97 1r56 n GLU 276 Cb 0.41 -0.82 -0.12 0.00 -0.02 0.00 0.00 31.44 30.90 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 -1.63 4.18 0.28 2.62 1.01 -1.26 -5.10 120.40 120.50 1r56 s VAL 277 Ca 0.00 -0.23 0.10 0.00 0.00 0.00 0.00 61.98 61.85 1r56 s VAL 277 Cb 0.00 -2.91 -0.05 0.00 0.00 0.00 0.00 36.38 33.42 1r56 s VAL 277 CO 0.00 0.40 -0.16 -0.36 0.00 0.00 0.00 175.10 174.99 1r56 s PHE 278 N 1.10 2.18 -0.43 5.22 0.40 -1.26 -3.93 117.98 121.26 1r56 s PHE 278 Ca 0.03 -0.44 -0.06 0.00 -0.60 0.00 0.00 56.93 55.86 1r56 s PHE 278 Cb -0.14 -1.05 0.10 0.00 0.51 0.00 0.00 43.02 42.45 1r56 s PHE 278 CO 0.02 0.59 0.26 0.00 0.70 0.00 0.00 175.22 176.79 1r56 s ALA 279 N -2.66 3.26 0.26 5.36 0.00 -0.09 -4.95 121.76 122.94 1r56 s ALA 279 Ca 0.29 -2.43 -0.31 0.00 0.00 0.00 0.00 51.96 49.51 1r56 s ALA 279 Cb -0.02 -2.59 -0.12 0.00 0.00 0.00 0.00 23.12 20.39 1r56 s ALA 279 CO 0.14 -1.79 1.62 -2.30 0.00 0.00 0.00 175.76 173.42 1r56 n PRO 280 N 4.78 2.64 -3.79 0.00 -0.02 -1.26 -2.30 135.00 135.05 1r56 n PRO 280 Ca -0.06 0.94 -0.35 0.00 -2.02 0.00 0.00 63.50 62.01 1r56 n PRO 280 Cb 0.41 -2.73 -0.08 0.00 -0.02 0.00 0.00 33.50 31.08 1r56 n PRO 280 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 1r56 s GLN 281 N 0.03 4.13 0.25 -0.52 -1.52 0.18 -4.94 119.66 117.26 1r56 s GLN 281 Ca 0.68 -0.24 0.11 0.00 -1.95 0.00 0.00 55.36 53.96 1r56 s GLN 281 Cb -0.52 -3.37 0.24 0.00 -0.22 0.00 0.00 33.01 29.14 1r56 s GLN 281 CO 0.44 0.31 1.54 0.77 -0.25 0.00 0.00 175.29 178.09 1r56 h SER 282 N 6.63 0.00 -4.57 5.90 0.02 -1.93 -3.39 113.55 116.20 1r56 h SER 282 Ca -0.41 0.00 0.10 0.00 -0.84 0.00 0.00 61.79 60.64 1r56 h SER 282 Cb 1.16 0.00 -0.17 0.00 0.14 0.00 0.00 62.40 63.53 1r56 h SER 282 CO 0.74 0.68 0.49 1.51 -1.14 0.00 0.00 176.83 179.11 1r56 s ASP 283 N -6.76 -0.38 1.04 3.07 1.47 -1.26 -4.82 116.67 109.03 1r56 s ASP 283 Ca -0.00 0.09 -0.10 0.00 1.18 0.00 0.00 52.55 53.72 1r56 s ASP 283 Cb 0.12 0.38 0.14 0.00 -0.34 0.00 0.00 42.92 43.22 1r56 s ASP 283 CO 0.77 -0.58 0.73 -0.81 0.68 0.00 0.00 175.17 175.96 1r56 n PRO 284 N -0.04 -1.13 -3.84 2.11 -0.04 -1.26 -5.10 135.00 125.69 1r56 n PRO 284 Ca -0.09 -1.13 -0.12 0.00 -0.04 0.00 0.00 63.50 62.11 1r56 n PRO 284 Cb 0.61 -0.83 -0.11 0.00 -0.04 0.00 0.00 33.50 33.13 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 -3.64 -0.08 0.58 3.54 4.22 -1.26 -4.72 114.94 113.59 1r56 s ASN 285 Ca 0.43 0.08 -0.18 0.00 -2.14 0.00 0.00 52.86 51.05 1r56 s ASN 285 Cb -0.02 0.27 -0.04 0.00 1.28 0.00 0.00 41.25 42.74 1r56 s ASN 285 CO 0.31 -0.20 1.12 -0.83 -2.04 0.00 0.00 177.10 175.46 1r56 s GLY 286 N -0.58 2.46 -0.05 0.45 0.00 -1.26 -4.84 107.32 103.51 1r56 s GLY 286 Ca -0.07 0.72 -0.01 0.00 0.00 0.00 0.00 44.72 45.37 1r56 s GLY 286 CO 0.01 1.08 0.02 -2.27 0.00 0.00 0.00 173.10 171.94 1r56 s LEU 287 N -4.17 0.60 -0.06 0.66 2.96 -1.26 -0.91 118.68 116.49 1r56 s LEU 287 Ca 0.71 -0.02 0.04 0.00 -0.22 0.00 0.00 54.13 54.64 1r56 s LEU 287 Cb -0.23 -0.29 0.00 0.00 0.50 0.00 0.00 46.19 46.18 1r56 s LEU 287 CO 0.32 -0.19 -0.16 -0.63 -1.32 0.00 0.00 176.35 174.37 1r56 s ILE 288 N 1.78 1.42 0.04 6.68 1.01 -0.82 -4.98 121.20 126.33 1r56 s ILE 288 Ca 0.01 -0.68 0.01 0.00 0.00 0.00 0.00 60.65 60.00 1r56 s ILE 288 Cb -0.13 -1.24 -0.03 0.00 0.01 0.00 0.00 42.46 41.08 1r56 s ILE 288 CO -0.04 0.41 -0.06 -0.54 0.00 0.00 0.00 174.94 174.72 1r56 s LYS 289 N 0.31 0.52 0.04 2.79 1.02 -1.26 0.22 119.74 123.37 1r56 s LYS 289 Ca -0.10 -0.82 -0.19 0.00 0.02 0.00 0.00 55.97 54.87 1r56 s LYS 289 Cb -0.14 -0.15 0.04 0.00 -0.52 0.00 0.00 37.83 37.07 1r56 s LYS 289 CO 0.04 0.01 0.44 0.00 -0.92 0.00 0.00 175.35 174.91 1r56 s THR 291 N -2.43 1.98 -0.21 0.00 2.01 -1.26 -1.28 115.64 114.45 1r56 s THR 291 Ca -0.05 -0.91 -0.02 0.00 0.31 0.00 0.00 61.69 61.02 1r56 s THR 291 Cb -0.01 -1.78 0.00 0.00 0.01 0.00 0.00 72.50 70.72 1r56 s THR 291 CO -0.02 0.53 -0.09 -0.69 -0.69 0.00 0.00 174.62 173.66 1r56 s VAL 292 N 1.14 2.96 0.04 3.82 1.01 0.12 -4.96 120.40 124.54 1r56 s VAL 292 Ca 0.00 -0.63 0.00 0.00 0.00 0.00 0.00 61.98 61.35 1r56 s VAL 292 Cb -0.14 -2.32 0.00 0.00 0.00 0.00 0.00 36.38 33.92 1r56 s VAL 292 CO -0.09 0.46 0.02 0.61 0.00 0.00 0.00 175.10 176.11 1r56 n GLY 293 N 4.70 3.36 3.85 4.51 0.00 -1.26 -1.47 105.19 118.89 1r56 n GLY 293 Ca -0.19 -2.19 -0.35 0.00 0.00 0.00 0.00 46.02 43.29 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 -2.15 3.88 0.00 1.61 0.52 -1.25 -5.02 118.95 116.54 1r56 s ARG 294 Ca 0.02 0.35 0.00 0.00 -0.52 0.00 0.00 55.73 55.57 1r56 s ARG 294 Cb -0.00 -2.99 0.00 0.00 0.52 0.00 0.00 34.95 32.47 1r56 s ARG 294 CO 0.01 0.54 0.30 0.43 0.02 0.00 0.00 175.30 176.60