#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xy3 s VAL 3 N 0.00 4.24 0.06 0.00 1.01 -1.26 -4.89 120.40 119.55 1xy3 s VAL 3 Ca 0.00 0.69 -0.12 0.00 0.00 0.00 0.00 61.98 62.56 1xy3 s VAL 3 Cb 0.00 -4.60 -0.30 0.00 0.00 0.00 0.00 36.38 31.47 1xy3 s VAL 3 CO 0.00 -1.15 1.09 0.11 0.00 0.00 0.00 175.10 175.15 1xy3 h LYS 4 N 9.36 0.49 -3.00 2.72 1.57 -2.07 -3.47 116.57 122.17 1xy3 h LYS 4 Ca -0.25 -0.75 -0.09 0.00 -1.87 0.00 0.00 60.65 57.69 1xy3 h LYS 4 Cb 1.07 0.27 -0.18 0.00 0.08 0.00 0.00 32.23 33.46 1xy3 h LYS 4 CO 1.12 1.34 -0.17 0.00 -0.57 0.00 0.00 179.45 181.17 1xy3 s ALA 5 N -2.79 -0.92 -0.28 3.86 0.00 -1.26 -5.17 121.76 115.20 1xy3 s ALA 5 Ca -0.08 0.33 -0.15 0.00 0.00 0.00 0.00 51.96 52.06 1xy3 s ALA 5 Cb 0.06 0.22 0.09 0.00 0.00 0.00 0.00 23.12 23.48 1xy3 s ALA 5 CO 0.92 -0.37 0.70 0.00 0.00 0.00 0.00 175.76 177.02 1xy3 s ALA 6 N -1.98 -1.93 0.05 0.00 0.00 -1.26 -5.17 121.76 111.47 1xy3 s ALA 6 Ca -0.09 2.40 -0.00 0.00 0.00 0.00 0.00 51.96 54.28 1xy3 s ALA 6 Cb -0.02 -1.49 -0.03 0.00 0.00 0.00 0.00 23.12 21.57 1xy3 s ALA 6 CO 0.01 -0.45 -0.04 1.03 0.00 0.00 0.00 175.76 176.31 1xy3 s ARG 7 N 1.78 0.54 -0.17 0.00 0.52 -1.26 -4.60 118.95 115.76 1xy3 s ARG 7 Ca -0.09 -1.03 -0.30 0.00 -0.52 0.00 0.00 55.73 53.79 1xy3 s ARG 7 Cb -0.06 0.11 0.13 0.00 0.52 0.00 0.00 34.95 35.65 1xy3 s ARG 7 CO -0.20 -0.07 1.02 1.52 0.02 0.00 0.00 175.30 177.59 1xy3 s TYR 8 N -3.04 -0.36 -1.75 -0.53 1.13 -1.09 -4.95 117.35 106.76 1xy3 s TYR 8 Ca -0.00 0.62 0.00 0.00 -1.41 0.00 0.00 57.07 56.28 1xy3 s TYR 8 Cb 0.02 0.45 0.00 0.00 -1.10 0.00 0.00 41.96 41.32 1xy3 s TYR 8 CO -0.06 -0.32 0.00 0.41 -2.51 0.00 0.00 175.55 173.06 1xy3 n GLY 9 N 0.78 -0.82 3.70 5.49 0.00 -1.26 -0.89 105.19 112.18 1xy3 n GLY 9 Ca -0.10 -0.84 -0.35 0.00 0.00 0.00 0.00 46.02 44.73 1xy3 n GLY 9 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1xy3 s LYS 10 N -0.70 3.88 0.12 1.61 2.47 -0.77 -4.95 119.74 121.41 1xy3 s LYS 10 Ca 0.00 -0.29 0.10 0.00 -1.56 0.00 0.00 55.97 54.23 1xy3 s LYS 10 Cb 0.00 -3.23 -0.04 0.00 -1.46 0.00 0.00 37.83 33.10 1xy3 s LYS 10 CO 0.00 0.39 -0.25 0.34 0.16 0.00 0.00 175.35 175.99 1xy3 s ASP 11 N 0.07 3.08 -0.67 1.43 2.15 -1.26 -1.04 116.67 120.43 1xy3 s ASP 11 Ca 0.07 -0.72 -0.04 0.00 0.43 0.00 0.00 52.55 52.28 1xy3 s ASP 11 Cb -0.12 -0.20 0.00 0.00 -0.30 0.00 0.00 42.92 42.31 1xy3 s ASP 11 CO 0.00 0.15 0.58 0.59 -0.17 0.00 0.00 175.17 176.33 1xy3 n ASN 12 N 1.00 -4.13 -4.52 -0.34 3.02 -1.02 -4.99 115.26 104.28 1xy3 n ASN 12 Ca -0.18 -0.27 -0.43 0.00 -0.03 0.00 0.00 54.58 53.67 1xy3 n ASN 12 Cb 0.53 -2.74 -0.05 0.00 -0.61 0.00 0.00 39.78 36.91 1xy3 n ASN 12 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1xy3 s VAL 13 N -3.16 4.65 0.06 2.41 1.01 -0.23 -4.87 120.40 120.27 1xy3 s VAL 13 Ca 0.28 0.25 -0.28 0.00 0.00 0.00 0.00 61.98 62.23 1xy3 s VAL 13 Cb -0.13 -4.34 -0.05 0.00 0.00 0.00 0.00 36.38 31.86 1xy3 s VAL 13 CO 0.36 -0.78 0.90 -0.13 0.00 0.00 0.00 175.10 175.45 1xy3 s ARG 14 N 3.26 4.60 -0.01 2.72 0.52 -1.26 -0.23 118.95 128.55 1xy3 s ARG 14 Ca 0.27 1.31 0.02 0.00 -0.52 0.00 0.00 55.73 56.81 1xy3 s ARG 14 Cb -0.13 -3.40 -0.00 0.00 0.52 0.00 0.00 34.95 31.94 1xy3 s ARG 14 CO 0.20 0.16 -0.08 0.08 0.02 0.00 0.00 175.30 175.69 1xy3 s VAL 15 N 0.26 0.63 -0.05 3.52 1.01 0.20 -4.97 120.40 121.01 1xy3 s VAL 15 Ca 0.45 -0.33 0.02 0.00 0.00 0.00 0.00 61.98 62.12 1xy3 s VAL 15 Cb -0.22 -0.54 0.01 0.00 0.00 0.00 0.00 36.38 35.64 1xy3 s VAL 15 CO 0.27 0.18 -0.09 -0.47 0.00 0.00 0.00 175.10 175.00 1xy3 s TYR 16 N -0.12 1.09 -0.03 5.22 6.14 -1.26 -1.01 117.35 127.38 1xy3 s TYR 16 Ca 0.02 -0.35 0.02 0.00 0.64 0.00 0.00 57.07 57.40 1xy3 s TYR 16 Cb -0.04 -0.84 0.00 0.00 0.42 0.00 0.00 41.96 41.50 1xy3 s TYR 16 CO -0.00 -0.21 -0.09 0.21 0.64 0.00 0.00 175.55 176.09 1xy3 s LYS 17 N 0.67 1.01 -0.04 4.97 2.20 -0.38 -5.00 119.74 123.17 1xy3 s LYS 17 Ca -0.12 -0.31 0.05 0.00 -0.36 0.00 0.00 55.97 55.23 1xy3 s LYS 17 Cb -0.14 -0.93 -0.02 0.00 -1.51 0.00 0.00 37.83 35.22 1xy3 s LYS 17 CO 0.02 0.11 -0.18 0.54 -0.36 0.00 0.00 175.35 175.48 1xy3 s VAL 18 N 0.22 2.72 -0.15 4.02 0.11 -1.26 -1.08 120.40 124.97 1xy3 s VAL 18 Ca -0.04 -0.85 -0.01 0.00 -2.93 0.00 0.00 61.98 58.15 1xy3 s VAL 18 Cb -0.09 -2.03 -0.02 0.00 -1.53 0.00 0.00 36.38 32.71 1xy3 s VAL 18 CO 0.01 0.59 -0.10 -2.28 -3.33 0.00 0.00 175.10 169.98 1xy3 s HIS 19 N -0.65 2.88 -0.24 1.54 2.46 0.66 -4.97 115.29 116.96 1xy3 s HIS 19 Ca 0.10 -0.63 -0.02 0.00 0.47 0.00 0.00 55.06 54.98 1xy3 s HIS 19 Cb -0.11 -1.91 0.02 0.00 -0.13 0.00 0.00 32.58 30.46 1xy3 s HIS 19 CO 0.00 -0.23 -0.05 0.15 -2.47 0.00 0.00 174.74 172.14 1xy3 s LYS 20 N 0.53 2.97 -0.74 2.88 1.02 -1.26 -1.37 119.74 123.77 1xy3 s LYS 20 Ca -0.07 -0.89 -0.20 0.00 0.02 0.00 0.00 55.97 54.83 1xy3 s LYS 20 Cb -0.15 -3.01 0.11 0.00 -0.52 0.00 0.00 37.83 34.26 1xy3 s LYS 20 CO 0.04 -0.36 0.94 0.34 -0.92 0.00 0.00 175.35 175.39 1xy3 s ASP 21 N 1.37 6.35 0.28 2.83 -1.08 -0.61 -4.90 116.67 120.91 1xy3 s ASP 21 Ca 0.02 -1.53 0.02 0.00 -0.52 0.00 0.00 52.55 50.53 1xy3 s ASP 21 Cb -0.16 -2.37 0.61 0.00 -1.46 0.00 0.00 42.92 39.54 1xy3 s ASP 21 CO -0.04 -1.20 1.77 1.05 0.52 0.00 0.00 175.17 177.27 1xy3 h GLU 22 N 9.15 0.65 0.00 4.34 4.11 -1.95 0.65 114.58 131.53 1xy3 h GLU 22 Ca -0.12 -0.04 0.00 0.00 0.07 0.00 0.00 59.36 59.27 1xy3 h GLU 22 Cb 1.06 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 30.16 1xy3 h GLU 22 CO 1.12 0.43 0.00 0.36 0.07 0.00 0.00 179.01 180.99 1xy3 n LYS 23 N -4.84 0.00 0.03 1.06 0.00 -1.26 -3.91 118.16 109.24 1xy3 n LYS 23 Ca 0.20 0.31 -0.08 0.00 -0.00 0.00 0.00 58.31 58.73 1xy3 n LYS 23 Cb 0.49 -1.16 0.08 0.00 -0.00 0.00 0.00 35.03 34.44 1xy3 n LYS 23 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.40 179.19 1xy3 h THR 24 N 0.00 1.34 0.00 0.58 1.35 -1.98 -3.47 112.91 110.73 1xy3 h THR 24 Ca 0.00 -1.83 0.00 0.00 -0.55 0.00 0.00 66.41 64.03 1xy3 h THR 24 Cb 0.00 1.82 0.00 0.00 -1.73 0.00 0.00 68.15 68.24 1xy3 h THR 24 CO 0.00 0.56 0.00 0.61 -0.25 0.00 0.00 175.52 176.44 1xy3 n GLY 25 N 0.23 0.74 3.76 5.82 0.00 0.23 -5.06 105.19 110.90 1xy3 n GLY 25 Ca -0.03 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.59 1xy3 n GLY 25 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xy3 s VAL 26 N -2.12 4.25 0.06 1.61 1.01 -1.24 -4.83 120.40 119.15 1xy3 s VAL 26 Ca 0.00 1.94 0.09 0.00 0.00 0.00 0.00 61.98 64.00 1xy3 s VAL 26 Cb 0.00 -4.26 -0.03 0.00 0.00 0.00 0.00 36.38 32.09 1xy3 s VAL 26 CO 0.00 0.48 -0.22 -1.10 0.00 0.00 0.00 175.10 174.26 1xy3 s GLN 27 N -0.98 1.84 -0.03 2.72 -0.21 -0.11 -1.57 119.66 121.33 1xy3 s GLN 27 Ca 0.40 -1.10 0.04 0.00 0.02 0.00 0.00 55.36 54.71 1xy3 s GLN 27 Cb -0.24 -2.06 -0.00 0.00 1.00 0.00 0.00 33.01 31.70 1xy3 s GLN 27 CO 0.29 0.51 -0.13 0.99 -2.12 0.00 0.00 175.29 174.83 1xy3 s THR 28 N -0.93 1.12 0.05 -0.19 2.01 -0.47 -4.60 115.64 112.64 1xy3 s THR 28 Ca 0.14 -0.56 0.09 0.00 0.31 0.00 0.00 61.69 61.67 1xy3 s THR 28 Cb -0.10 -0.97 -0.03 0.00 0.01 0.00 0.00 72.50 71.41 1xy3 s THR 28 CO 0.05 0.33 -0.24 0.68 -0.69 0.00 0.00 174.62 174.75 1xy3 s VAL 29 N 0.03 2.39 0.02 3.82 -7.23 -1.26 -0.24 120.40 117.93 1xy3 s VAL 29 Ca -0.02 -1.36 0.05 0.00 -1.81 0.00 0.00 61.98 58.83 1xy3 s VAL 29 Cb -0.09 -1.97 -0.02 0.00 0.56 0.00 0.00 36.38 34.86 1xy3 s VAL 29 CO 0.01 0.32 -0.14 -0.31 -0.31 0.00 0.00 175.10 174.68 1xy3 s TYR 30 N -0.88 1.19 -0.15 2.82 2.02 -0.24 -4.85 117.35 117.26 1xy3 s TYR 30 Ca 0.13 -0.31 -0.06 0.00 -0.37 0.00 0.00 57.07 56.46 1xy3 s TYR 30 Cb -0.10 -0.72 0.07 0.00 -0.40 0.00 0.00 41.96 40.80 1xy3 s TYR 30 CO 0.04 0.02 0.32 -2.00 -1.57 0.00 0.00 175.55 172.36 1xy3 s GLU 31 N -0.89 0.24 0.16 -0.62 2.12 -1.26 -1.25 118.70 117.20 1xy3 s GLU 31 Ca 0.02 0.78 0.00 0.00 0.36 0.00 0.00 54.97 56.14 1xy3 s GLU 31 Cb -0.07 0.04 -0.04 0.00 0.26 0.00 0.00 34.13 34.31 1xy3 s GLU 31 CO 0.01 -0.23 0.03 0.00 -0.54 0.00 0.00 175.26 174.53 1xy3 s MET 32 N 2.05 1.04 -0.20 4.30 0.23 -0.18 -1.08 119.30 125.47 1xy3 s MET 32 Ca -0.03 -1.50 -0.02 0.00 -1.03 0.00 0.00 55.69 53.10 1xy3 s MET 32 Cb -0.11 -0.02 -0.00 0.00 -1.53 0.00 0.00 34.83 33.17 1xy3 s MET 32 CO -0.10 -0.20 -0.10 0.99 -2.03 0.00 0.00 175.02 173.57 1xy3 s THR 33 N -3.85 2.93 0.14 3.16 2.01 -0.09 -0.63 115.64 119.32 1xy3 s THR 33 Ca 0.25 -0.65 0.04 0.00 0.31 0.00 0.00 61.69 61.64 1xy3 s THR 33 Cb 0.07 -2.30 -0.04 0.00 0.01 0.00 0.00 72.50 70.24 1xy3 s THR 33 CO 0.04 0.47 0.13 -0.69 -0.69 0.00 0.00 174.62 173.87 1xy3 s VAL 34 N 1.29 4.52 -0.12 3.82 1.01 0.68 -1.52 120.40 130.08 1xy3 s VAL 34 Ca 0.04 -0.99 -0.04 0.00 0.00 0.00 0.00 61.98 60.98 1xy3 s VAL 34 Cb -0.14 -3.27 0.06 0.00 0.00 0.00 0.00 36.38 33.02 1xy3 s VAL 34 CO -0.05 -0.05 0.23 0.00 0.00 0.00 0.00 175.10 175.23 1xy3 s VAL 36 N 2.38 1.99 -0.08 0.00 1.01 -0.20 -0.56 120.40 124.95 1xy3 s VAL 36 Ca 0.02 -0.93 0.04 0.00 0.00 0.00 0.00 61.98 61.10 1xy3 s VAL 36 Cb -0.12 -1.77 0.00 0.00 0.00 0.00 0.00 36.38 34.49 1xy3 s VAL 36 CO -0.08 0.54 -0.20 -0.76 0.00 0.00 0.00 175.10 174.60 1xy3 s LEU 37 N 0.91 1.95 0.13 3.92 1.43 -0.33 -1.84 118.68 124.85 1xy3 s LEU 37 Ca -0.05 -0.45 0.06 0.00 -1.03 0.00 0.00 54.13 52.66 1xy3 s LEU 37 Cb -0.15 -1.19 -0.04 0.00 0.03 0.00 0.00 46.19 44.84 1xy3 s LEU 37 CO -0.04 0.14 -0.01 -0.76 0.23 0.00 0.00 176.35 175.92 1xy3 s LEU 38 N 0.29 3.37 0.11 1.79 1.43 -0.07 -0.35 118.68 125.25 1xy3 s LEU 38 Ca -0.13 -0.28 0.04 0.00 -1.03 0.00 0.00 54.13 52.73 1xy3 s LEU 38 Cb -0.16 -2.08 -0.04 0.00 0.03 0.00 0.00 46.19 43.95 1xy3 s LEU 38 CO 0.06 0.14 -0.10 -1.61 0.23 0.00 0.00 176.35 175.07 1xy3 s GLU 39 N -2.57 0.91 0.00 1.70 2.02 -0.12 -2.69 118.70 117.95 1xy3 s GLU 39 Ca 0.26 -1.25 0.00 0.00 0.02 0.00 0.00 54.97 54.00 1xy3 s GLU 39 Cb -0.11 -0.54 0.00 0.00 0.10 0.00 0.00 34.13 33.58 1xy3 s GLU 39 CO 0.18 0.08 0.00 0.41 0.02 0.00 0.00 175.26 175.95 1xy3 n GLY 40 N 0.31 -0.33 3.31 -1.39 0.00 -1.26 -1.60 105.19 104.23 1xy3 n GLY 40 Ca -0.14 -1.26 -0.42 0.00 0.00 0.00 0.00 46.02 44.20 1xy3 n GLY 40 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1xy3 n GLU 41 N 0.00 3.05 0.00 1.61 1.02 -0.04 -4.40 120.64 121.88 1xy3 n GLU 41 Ca 0.00 -3.04 0.00 0.00 -0.02 0.00 0.00 57.16 54.10 1xy3 n GLU 41 Cb 0.00 -3.43 0.00 0.00 -0.02 0.00 0.00 31.44 27.99 1xy3 n GLU 41 CO 0.00 0.00 0.00 0.44 1.18 0.00 0.00 177.13 178.75 1xy3 n ILE 42 N 6.01 0.65 -0.27 -3.67 -5.35 -1.26 -4.82 119.36 110.65 1xy3 n ILE 42 Ca 0.50 -0.67 0.09 0.00 -0.27 0.00 0.00 62.75 62.40 1xy3 n ILE 42 Cb 0.44 0.69 0.22 0.00 -1.74 0.00 0.00 39.64 39.25 1xy3 n ILE 42 CO 0.00 0.00 0.00 -0.33 -1.76 0.00 0.00 176.55 174.46 1xy3 h GLU 43 N 0.00 0.20 -0.71 6.28 3.07 -1.98 -1.52 114.58 119.92 1xy3 h GLU 43 Ca 0.00 -0.01 0.17 0.00 -0.50 0.00 0.00 59.36 59.02 1xy3 h GLU 43 Cb 0.64 -0.04 -0.04 0.00 -0.84 0.00 0.00 28.75 28.46 1xy3 h GLU 43 CO 0.00 0.13 0.49 1.79 -1.40 0.00 0.00 179.01 180.02 1xy3 h THR 44 N 0.20 0.72 -0.51 1.13 1.35 -1.90 -0.08 112.91 113.83 1xy3 h THR 44 Ca 0.48 -0.07 0.04 0.00 -0.55 0.00 0.00 66.41 66.31 1xy3 h THR 44 Cb 0.89 0.51 -0.03 0.00 -1.73 0.00 0.00 68.15 67.80 1xy3 h THR 44 CO -0.61 0.03 0.34 0.77 -0.25 0.00 0.00 175.52 175.80 1xy3 h SER 45 N 0.19 0.47 0.03 5.36 4.64 -1.28 1.07 113.55 124.03 1xy3 h SER 45 Ca 0.34 -0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.59 1xy3 h SER 45 Cb 1.08 -0.11 0.00 0.00 -0.31 0.00 0.00 62.40 63.06 1xy3 h SER 45 CO -0.06 0.32 -0.33 1.88 -0.87 0.00 0.00 176.83 177.77 1xy3 h TYR 46 N 0.55 0.12 0.09 4.77 -1.99 -1.17 -2.68 116.97 116.64 1xy3 h TYR 46 Ca 0.21 -0.09 -0.29 0.00 2.00 0.00 0.00 58.73 60.57 1xy3 h TYR 46 Cb 0.15 -0.00 0.03 0.00 2.00 0.00 0.00 36.73 38.90 1xy3 h TYR 46 CO -0.00 1.13 -1.17 1.79 -0.00 0.00 0.00 178.16 179.91 1xy3 h THR 47 N -0.86 1.29 -0.13 -2.88 1.35 -1.16 -3.37 112.91 107.16 1xy3 h THR 47 Ca -0.07 -2.39 0.00 0.00 -0.55 0.00 0.00 66.41 63.40 1xy3 h THR 47 Cb 1.18 2.62 0.00 0.00 -1.73 0.00 0.00 68.15 70.22 1xy3 h THR 47 CO 0.01 0.73 0.00 0.29 -0.25 0.00 0.00 175.52 176.30 1xy3 n LYS 48 N -3.83 2.86 -3.60 4.72 4.76 0.36 -4.98 118.16 118.44 1xy3 n LYS 48 Ca -0.13 -1.80 -0.27 0.00 -2.87 0.00 0.00 58.31 53.24 1xy3 n LYS 48 Cb 0.95 -1.15 0.01 0.00 -1.84 0.00 0.00 35.03 33.00 1xy3 n LYS 48 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1xy3 n ALA 49 N -0.21 -1.15 -2.54 7.82 0.00 -0.76 -4.91 120.51 118.76 1xy3 n ALA 49 Ca 0.06 0.16 -0.43 0.00 0.00 0.00 0.00 53.44 53.23 1xy3 n ALA 49 Cb 0.36 -3.76 -0.06 0.00 0.00 0.00 0.00 19.45 15.99 1xy3 n ALA 49 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1xy3 s ASP 50 N -3.00 6.40 0.00 0.00 2.15 -1.11 -4.92 116.67 116.19 1xy3 s ASP 50 Ca 0.53 -0.08 0.26 0.00 0.43 0.00 0.00 52.55 53.68 1xy3 s ASP 50 Cb -0.27 -2.35 0.60 0.00 -0.30 0.00 0.00 42.92 40.61 1xy3 s ASP 50 CO 0.65 -0.77 1.47 0.59 -0.17 0.00 0.00 175.17 176.94 1xy3 n ASN 51 N 6.35 0.86 0.24 -0.34 3.02 -1.26 -3.40 115.26 120.73 1xy3 n ASN 51 Ca 0.00 -0.67 0.15 0.00 -0.03 0.00 0.00 54.58 54.03 1xy3 n ASN 51 Cb 0.48 0.22 0.83 0.00 -0.61 0.00 0.00 39.78 40.70 1xy3 n ASN 51 CO 0.00 0.00 0.00 0.77 -2.62 0.00 0.00 177.26 175.41 1xy3 h SER 52 N 0.74 0.00 -0.15 6.41 4.64 -2.00 -0.38 113.55 122.81 1xy3 h SER 52 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1xy3 h SER 52 Cb 0.51 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.60 1xy3 h SER 52 CO 0.00 0.00 0.00 1.33 -0.87 0.00 0.00 176.83 177.29 1xy3 n VAL 53 N -3.94 0.19 -3.86 0.95 0.24 -1.26 -4.91 118.33 105.74 1xy3 n VAL 53 Ca -0.00 -0.42 -0.35 0.00 -2.04 0.00 0.00 64.34 61.53 1xy3 n VAL 53 Cb 0.22 0.67 -0.09 0.00 -1.47 0.00 0.00 33.84 33.16 1xy3 n VAL 53 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 1xy3 s ILE 54 N -1.81 5.04 -0.57 1.34 1.01 -0.15 -4.88 121.20 121.17 1xy3 s ILE 54 Ca 0.34 0.06 -0.20 0.00 0.00 0.00 0.00 60.65 60.86 1xy3 s ILE 54 Cb 0.20 -3.30 0.08 0.00 0.01 0.00 0.00 42.46 39.45 1xy3 s ILE 54 CO 0.30 0.43 0.73 -0.69 0.00 0.00 0.00 174.94 175.71 1xy3 s VAL 55 N 0.53 4.73 0.01 2.92 1.01 -1.26 -5.00 120.40 123.35 1xy3 s VAL 55 Ca 0.05 -0.67 -0.39 0.00 0.00 0.00 0.00 61.98 60.97 1xy3 s VAL 55 Cb -0.12 -4.47 -0.20 0.00 0.00 0.00 0.00 36.38 31.59 1xy3 s VAL 55 CO 0.00 -1.08 1.05 0.00 0.00 0.00 0.00 175.10 175.07 1xy3 n ALA 56 N 6.57 -3.52 0.03 5.51 0.00 -1.26 -4.74 120.51 123.10 1xy3 n ALA 56 Ca -0.07 0.59 0.16 0.00 0.00 0.00 0.00 53.44 54.12 1xy3 n ALA 56 Cb 0.44 -1.76 0.64 0.00 0.00 0.00 0.00 19.45 18.77 1xy3 n ALA 56 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 1xy3 h THR 57 N 2.90 0.81 -0.76 0.00 1.35 -1.94 0.36 112.91 115.64 1xy3 h THR 57 Ca -0.50 -0.03 -0.03 0.00 -0.55 0.00 0.00 66.41 65.30 1xy3 h THR 57 Cb 1.43 0.73 -0.03 0.00 -1.73 0.00 0.00 68.15 68.54 1xy3 h THR 57 CO 0.65 0.01 0.34 -0.78 -0.25 0.00 0.00 175.52 175.50 1xy3 h ASP 58 N 0.08 1.00 0.07 5.36 3.58 -1.97 -1.17 116.42 123.36 1xy3 h ASP 58 Ca 0.21 -0.12 -0.10 0.00 0.42 0.00 0.00 57.03 57.44 1xy3 h ASP 58 Cb 0.73 -0.26 -0.01 0.00 1.72 0.00 0.00 39.33 41.52 1xy3 h ASP 58 CO -0.02 0.85 -0.33 0.28 -2.88 0.00 0.00 179.24 177.15 1xy3 h SER 59 N 1.08 0.39 -0.41 2.28 0.02 -0.63 -1.42 113.55 114.86 1xy3 h SER 59 Ca 0.26 -0.14 -0.02 0.00 -0.84 0.00 0.00 61.79 61.04 1xy3 h SER 59 Cb 0.14 -0.11 -0.02 0.00 0.14 0.00 0.00 62.40 62.55 1xy3 h SER 59 CO -0.03 0.70 0.17 0.40 -1.14 0.00 0.00 176.83 176.93 1xy3 h ILE 60 N 0.33 1.19 -0.64 3.27 2.04 -0.52 0.57 117.51 123.75 1xy3 h ILE 60 Ca 0.04 -0.57 0.05 0.00 1.00 0.00 0.00 64.86 65.38 1xy3 h ILE 60 Cb 0.74 0.81 -0.05 0.00 -0.74 0.00 0.00 36.82 37.57 1xy3 h ILE 60 CO 0.06 0.21 0.36 0.50 0.00 0.00 0.00 178.15 179.27 1xy3 h LYS 61 N 0.52 0.65 -0.53 2.37 3.64 -0.73 -1.16 116.57 121.33 1xy3 h LYS 61 Ca 0.14 -0.04 0.01 0.00 -1.27 0.00 0.00 60.65 59.49 1xy3 h LYS 61 Cb 0.16 -0.15 -0.03 0.00 -0.41 0.00 0.00 32.23 31.81 1xy3 h LYS 61 CO -0.01 0.43 0.34 -0.91 -2.27 0.00 0.00 179.45 177.03 1xy3 h ASN 62 N 0.67 0.59 -0.80 4.20 2.35 -0.75 -2.68 115.58 119.16 1xy3 h ASN 62 Ca 0.28 -0.01 0.04 0.00 -0.55 0.00 0.00 56.30 56.06 1xy3 h ASN 62 Cb 0.14 -0.14 -0.05 0.00 0.05 0.00 0.00 38.32 38.32 1xy3 h ASN 62 CO -0.16 0.42 0.50 0.74 -1.65 0.00 0.00 177.43 177.28 1xy3 h THR 63 N 0.70 1.09 -0.21 2.81 2.02 0.10 -0.65 112.91 118.77 1xy3 h THR 63 Ca 0.20 -0.33 0.02 0.00 0.77 0.00 0.00 66.41 67.06 1xy3 h THR 63 Cb -0.06 0.05 -0.02 0.00 -1.74 0.00 0.00 68.15 66.38 1xy3 h THR 63 CO -0.05 0.18 0.09 0.40 0.37 0.00 0.00 175.52 176.51 1xy3 h ILE 64 N 0.96 0.98 -0.75 3.11 2.04 -0.93 0.12 117.51 123.04 1xy3 h ILE 64 Ca 0.33 -0.07 -0.05 0.00 1.00 0.00 0.00 64.86 66.06 1xy3 h ILE 64 Cb 0.06 0.76 -0.03 0.00 -0.74 0.00 0.00 36.82 36.86 1xy3 h ILE 64 CO -0.13 0.04 0.26 1.88 0.00 0.00 0.00 178.15 180.20 1xy3 h TYR 65 N 0.21 1.17 -0.40 1.37 0.05 -1.21 -1.13 116.97 117.03 1xy3 h TYR 65 Ca 0.09 -0.10 -0.14 0.00 0.05 0.00 0.00 58.73 58.62 1xy3 h TYR 65 Cb 0.03 -0.35 -0.01 0.00 1.01 0.00 0.00 36.73 37.42 1xy3 h TYR 65 CO -0.10 0.91 -0.31 0.82 -1.05 0.00 0.00 178.16 178.43 1xy3 h ILE 66 N 1.11 1.28 -0.44 -2.88 2.04 -0.77 -2.40 117.51 115.44 1xy3 h ILE 66 Ca 0.25 -1.48 -0.09 0.00 1.00 0.00 0.00 64.86 64.54 1xy3 h ILE 66 Cb 0.26 1.34 -0.02 0.00 -0.74 0.00 0.00 36.82 37.66 1xy3 h ILE 66 CO -0.01 0.50 -0.10 0.74 0.00 0.00 0.00 178.15 179.27 1xy3 h THR 67 N 0.73 1.26 0.00 -0.27 2.02 -0.56 -2.22 112.91 113.86 1xy3 h THR 67 Ca 0.07 -1.16 0.00 0.00 0.77 0.00 0.00 66.41 66.10 1xy3 h THR 67 Cb 0.90 1.02 0.00 0.00 -1.74 0.00 0.00 68.15 68.33 1xy3 h THR 67 CO 0.08 0.40 0.00 0.00 0.37 0.00 0.00 175.52 176.37 1xy3 h ALA 68 N 1.17 1.00 0.03 6.16 0.00 -1.15 -0.82 119.26 125.65 1xy3 h ALA 68 Ca 0.12 0.00 -0.27 0.00 0.00 0.00 0.00 54.91 54.76 1xy3 h ALA 68 Cb 0.58 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.34 1xy3 h ALA 68 CO 0.04 0.00 -1.44 -0.22 0.00 0.00 0.00 179.25 177.63 1xy3 h LYS 69 N 0.00 0.07 0.00 0.00 1.63 -1.01 -3.36 116.57 113.90 1xy3 h LYS 69 Ca 0.00 -0.12 0.00 0.00 -0.85 0.00 0.00 60.65 59.68 1xy3 h LYS 69 Cb 0.67 0.04 0.00 0.00 -0.60 0.00 0.00 32.23 32.35 1xy3 h LYS 69 CO 0.00 0.84 -1.06 1.04 -3.45 0.00 0.00 179.45 176.81 1xy3 n GLN 70 N -3.26 0.17 -4.49 1.90 6.02 -0.87 -4.99 117.38 111.86 1xy3 n GLN 70 Ca -0.11 -0.03 -0.23 0.00 -0.01 0.00 0.00 57.00 56.62 1xy3 n GLN 70 Cb 1.01 -1.53 -0.10 0.00 1.02 0.00 0.00 30.24 30.64 1xy3 n GLN 70 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 177.06 175.25 1xy3 s ASN 71 N -3.49 2.63 0.16 1.08 0.01 -0.32 -5.09 114.94 109.93 1xy3 s ASN 71 Ca 0.05 -1.46 -0.30 0.00 -0.71 0.00 0.00 52.86 50.44 1xy3 s ASN 71 Cb 0.15 0.08 -0.07 0.00 0.41 0.00 0.00 41.25 41.82 1xy3 s ASN 71 CO 0.83 -0.69 0.96 -2.84 -1.51 0.00 0.00 177.10 173.85 1xy3 s PRO 72 N -3.84 4.76 0.00 -0.60 0.02 -1.26 -4.71 135.00 129.36 1xy3 s PRO 72 Ca 0.32 1.48 0.26 0.00 0.02 0.00 0.00 61.00 63.08 1xy3 s PRO 72 Cb 0.07 -3.33 0.68 0.00 0.02 0.00 0.00 34.50 31.93 1xy3 s PRO 72 CO 0.15 0.33 1.53 1.33 -0.33 0.00 0.00 177.00 180.00 1xy3 n VAL 73 N 2.26 0.00 -4.16 3.83 0.24 -1.26 -4.40 118.33 114.84 1xy3 n VAL 73 Ca 0.01 -0.28 -0.16 0.00 -2.04 0.00 0.00 64.34 61.87 1xy3 n VAL 73 Cb 0.48 0.78 -0.14 0.00 -1.47 0.00 0.00 33.84 33.49 1xy3 n VAL 73 CO 0.00 0.00 0.00 0.28 -2.14 0.00 0.00 176.83 174.97 1xy3 s THR 74 N -2.17 0.43 0.57 3.34 -1.32 -1.26 -3.58 115.64 111.65 1xy3 s THR 74 Ca 0.30 -0.30 -0.15 0.00 -1.21 0.00 0.00 61.69 60.34 1xy3 s THR 74 Cb 0.20 -0.38 -0.05 0.00 -1.51 0.00 0.00 72.50 70.76 1xy3 s THR 74 CO 0.40 0.08 1.02 -2.16 -2.21 0.00 0.00 174.62 171.75 1xy3 s PRO 75 N -0.25 3.59 0.52 7.08 0.04 -1.26 -4.91 135.00 139.81 1xy3 s PRO 75 Ca 0.01 1.00 0.29 0.00 0.04 0.00 0.00 61.00 62.35 1xy3 s PRO 75 Cb -0.03 -2.08 1.42 0.00 0.04 0.00 0.00 34.50 33.86 1xy3 s PRO 75 CO -0.00 -0.57 1.88 -1.00 0.04 0.00 0.00 177.00 177.35 1xy3 h PRO 76 N 0.41 0.06 -0.61 0.56 0.13 -1.96 0.56 132.00 131.15 1xy3 h PRO 76 Ca -0.46 -0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.64 1xy3 h PRO 76 Cb 1.20 -0.01 -0.03 0.00 0.13 0.00 0.00 31.00 32.29 1xy3 h PRO 76 CO 0.60 0.04 0.28 0.93 -0.23 0.00 0.00 178.00 179.62 1xy3 h GLU 77 N 0.06 0.86 0.02 0.86 3.07 -1.96 -0.85 114.58 116.65 1xy3 h GLU 77 Ca 0.43 -0.12 -0.11 0.00 -0.50 0.00 0.00 59.36 59.07 1xy3 h GLU 77 Cb 1.62 -0.16 0.01 0.00 -0.84 0.00 0.00 28.75 29.38 1xy3 h GLU 77 CO -0.04 0.68 -0.44 1.25 -1.40 0.00 0.00 179.01 179.07 1xy3 h LEU 78 N 0.86 0.35 -0.50 1.33 5.85 -1.27 -3.05 115.31 118.88 1xy3 h LEU 78 Ca 0.21 -0.81 0.05 0.00 0.84 0.00 0.00 57.88 58.17 1xy3 h LEU 78 Cb 0.11 -0.11 -0.05 0.00 0.37 0.00 0.00 40.66 40.98 1xy3 h LEU 78 CO -0.03 1.12 0.23 0.15 -0.34 0.00 0.00 178.44 179.57 1xy3 h PHE 79 N -0.37 0.41 -0.12 1.25 3.57 -1.25 0.05 116.94 120.49 1xy3 h PHE 79 Ca -0.06 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.42 1xy3 h PHE 79 Cb 1.20 -0.11 -0.01 0.00 2.79 0.00 0.00 35.95 39.82 1xy3 h PHE 79 CO 0.18 0.18 -0.14 0.78 -2.23 0.00 0.00 178.31 177.08 1xy3 h GLY 80 N 0.44 0.20 0.64 2.40 0.00 -1.27 -1.15 103.07 104.33 1xy3 h GLY 80 Ca 0.23 -0.12 -0.05 0.00 0.00 0.00 0.00 47.33 47.39 1xy3 h GLY 80 CO -0.18 0.11 -0.13 1.76 0.00 0.00 0.00 176.54 178.09 1xy3 h SER 81 N 0.17 0.27 -1.01 0.19 0.02 -1.07 -1.43 113.55 110.70 1xy3 h SER 81 Ca 0.04 -0.53 0.03 0.00 -0.84 0.00 0.00 61.79 60.48 1xy3 h SER 81 Cb 0.36 -0.08 -0.06 0.00 0.14 0.00 0.00 62.40 62.77 1xy3 h SER 81 CO 0.02 0.75 0.66 0.40 -1.14 0.00 0.00 176.83 177.52 1xy3 h ILE 82 N -0.21 1.20 0.28 3.27 2.04 -0.83 -0.54 117.51 122.73 1xy3 h ILE 82 Ca 0.01 -0.45 -0.01 0.00 1.00 0.00 0.00 64.86 65.41 1xy3 h ILE 82 Cb 0.69 -0.22 0.00 0.00 -0.74 0.00 0.00 36.82 36.56 1xy3 h ILE 82 CO 0.03 0.24 -0.13 0.25 0.00 0.00 0.00 178.15 178.53 1xy3 h LEU 83 N 1.30 -0.32 -0.68 1.44 5.85 -1.17 -2.41 115.31 119.32 1xy3 h LEU 83 Ca 0.39 -0.16 -0.03 0.00 0.84 0.00 0.00 57.88 58.93 1xy3 h LEU 83 Cb -0.05 0.08 -0.03 0.00 0.37 0.00 0.00 40.66 41.03 1xy3 h LEU 83 CO -0.11 -0.01 0.32 1.23 -0.34 0.00 0.00 178.44 179.53 1xy3 h GLY 84 N -0.65 1.05 0.57 3.75 0.00 -1.13 -3.03 103.07 103.64 1xy3 h GLY 84 Ca -0.04 -0.53 0.03 0.00 0.00 0.00 0.00 47.33 46.79 1xy3 h GLY 84 CO 0.06 0.50 -0.16 -0.84 0.00 0.00 0.00 176.54 176.10 1xy3 h THR 85 N 0.95 0.60 -0.87 4.70 2.02 -1.11 -2.88 112.91 116.33 1xy3 h THR 85 Ca 0.23 0.00 0.21 0.00 0.77 0.00 0.00 66.41 67.63 1xy3 h THR 85 Cb 0.12 0.60 -0.15 0.00 -1.74 0.00 0.00 68.15 66.98 1xy3 h THR 85 CO -0.03 0.00 0.01 -0.74 0.37 0.00 0.00 175.52 175.13 1xy3 h HIS 86 N -0.25 -0.06 -0.65 3.16 6.17 -1.30 -2.15 115.15 120.08 1xy3 h HIS 86 Ca 0.06 0.06 -0.05 0.00 0.71 0.00 0.00 60.37 61.16 1xy3 h HIS 86 Cb 0.33 0.16 -0.03 0.00 2.52 0.00 0.00 27.41 30.40 1xy3 h HIS 86 CO -0.23 -0.32 0.21 0.74 0.71 0.00 0.00 177.93 179.04 1xy3 h PHE 87 N 0.07 1.04 0.00 5.26 0.04 -1.54 0.91 116.94 122.72 1xy3 h PHE 87 Ca 0.49 -0.10 -0.05 0.00 2.80 0.00 0.00 57.97 61.11 1xy3 h PHE 87 Cb 0.93 -0.30 -0.01 0.00 2.20 0.00 0.00 35.95 38.77 1xy3 h PHE 87 CO -0.47 0.84 -0.24 -0.84 -0.60 0.00 0.00 178.31 177.00 1xy3 h ILE 88 N 0.93 0.47 0.17 -0.55 3.07 -1.42 -2.49 117.51 117.70 1xy3 h ILE 88 Ca 0.21 -1.42 -0.31 0.00 1.55 0.00 0.00 64.86 64.89 1xy3 h ILE 88 Cb 0.28 2.04 0.01 0.00 -0.27 0.00 0.00 36.82 38.88 1xy3 h ILE 88 CO -0.01 0.24 -1.52 -0.33 -1.05 0.00 0.00 178.15 175.48 1xy3 h GLU 89 N 0.00 0.36 -0.08 0.16 5.08 -1.24 -3.37 114.58 115.49 1xy3 h GLU 89 Ca -0.00 -0.61 -0.14 0.00 -1.00 0.00 0.00 59.36 57.60 1xy3 h GLU 89 Cb 1.02 0.23 -0.01 0.00 0.50 0.00 0.00 28.75 30.48 1xy3 h GLU 89 CO 0.03 1.29 -0.58 -0.22 -1.00 0.00 0.00 179.01 178.54 1xy3 h LYS 90 N -0.07 0.26 -5.13 2.33 1.63 -0.86 -3.43 116.57 111.30 1xy3 h LYS 90 Ca -0.30 -0.17 -0.67 0.00 -0.85 0.00 0.00 60.65 58.66 1xy3 h LYS 90 Cb 1.96 0.02 -0.31 0.00 -0.60 0.00 0.00 32.23 33.29 1xy3 h LYS 90 CO 0.15 0.76 -0.81 0.71 -3.45 0.00 0.00 179.45 176.81 1xy3 s TYR 91 N -3.82 2.79 0.37 1.91 2.02 -0.94 -5.02 117.35 114.66 1xy3 s TYR 91 Ca -0.04 -1.20 0.09 0.00 -0.37 0.00 0.00 57.07 55.54 1xy3 s TYR 91 Cb 0.12 -1.92 0.71 0.00 -0.40 0.00 0.00 41.96 40.47 1xy3 s TYR 91 CO 0.80 -0.58 1.86 -0.91 -1.57 0.00 0.00 175.55 175.15 1xy3 h ASN 92 N 7.58 0.21 0.17 2.29 2.35 -1.84 -3.06 115.58 123.28 1xy3 h ASN 92 Ca -0.37 -0.06 0.00 0.00 -0.55 0.00 0.00 56.30 55.32 1xy3 h ASN 92 Cb 1.17 -0.06 0.00 0.00 0.05 0.00 0.00 38.32 39.49 1xy3 h ASN 92 CO 0.59 0.44 -0.26 0.00 -1.65 0.00 0.00 177.43 176.54 1xy3 n HIS 93 N -4.21 0.00 -3.44 1.19 1.44 -1.26 -4.80 115.22 104.14 1xy3 n HIS 93 Ca -0.01 0.00 -0.38 0.00 -2.01 0.00 0.00 57.72 55.32 1xy3 n HIS 93 Cb 0.32 -0.09 -0.09 0.00 0.12 0.00 0.00 29.99 30.26 1xy3 n HIS 93 CO 0.00 0.00 0.00 0.42 -2.81 0.00 0.00 176.34 173.95 1xy3 s ILE 94 N -2.44 5.22 -0.71 0.61 -1.09 -1.16 -0.86 121.20 120.77 1xy3 s ILE 94 Ca 0.25 0.52 0.07 0.00 -2.23 0.00 0.00 60.65 59.26 1xy3 s ILE 94 Cb 0.19 -3.66 0.01 0.00 -1.58 0.00 0.00 42.46 37.42 1xy3 s ILE 94 CO 0.51 0.22 0.57 1.41 -1.23 0.00 0.00 174.94 176.41 1xy3 n HIS 95 N 4.93 0.00 -3.64 3.97 8.25 -0.63 -4.58 115.22 123.52 1xy3 n HIS 95 Ca -0.10 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.27 1xy3 n HIS 95 Cb 0.51 0.00 -0.07 0.00 1.12 0.00 0.00 29.99 31.55 1xy3 n HIS 95 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1xy3 s ALA 96 N -1.02 -1.78 -0.09 -1.41 0.00 -1.18 -0.90 121.76 115.38 1xy3 s ALA 96 Ca 0.06 2.23 0.03 0.00 0.00 0.00 0.00 51.96 54.29 1xy3 s ALA 96 Cb 0.06 -1.31 0.01 0.00 0.00 0.00 0.00 23.12 21.87 1xy3 s ALA 96 CO 0.17 -0.36 -0.19 0.00 0.00 0.00 0.00 175.76 175.37 1xy3 s ALA 97 N 1.25 1.83 -0.31 0.00 0.00 -0.59 -0.94 121.76 123.00 1xy3 s ALA 97 Ca -0.07 -0.76 -0.03 0.00 0.00 0.00 0.00 51.96 51.10 1xy3 s ALA 97 Cb -0.05 -0.73 0.05 0.00 0.00 0.00 0.00 23.12 22.39 1xy3 s ALA 97 CO -0.13 0.21 0.02 -1.01 0.00 0.00 0.00 175.76 174.85 1xy3 s HIS 98 N 0.48 3.25 -0.21 0.00 3.76 0.53 -1.46 115.29 121.64 1xy3 s HIS 98 Ca -0.17 -1.75 -0.06 0.00 -0.15 0.00 0.00 55.06 52.93 1xy3 s HIS 98 Cb -0.17 -2.14 -0.03 0.00 1.11 0.00 0.00 32.58 31.35 1xy3 s HIS 98 CO 0.07 -0.78 0.03 0.08 -0.85 0.00 0.00 174.74 173.28 1xy3 s VAL 99 N 1.29 4.20 -0.13 -0.90 1.01 -0.12 -1.19 120.40 124.56 1xy3 s VAL 99 Ca -0.04 -0.23 0.00 0.00 0.00 0.00 0.00 61.98 61.72 1xy3 s VAL 99 Cb -0.20 -2.91 -0.01 0.00 0.00 0.00 0.00 36.38 33.26 1xy3 s VAL 99 CO -0.00 0.41 -0.15 0.21 0.00 0.00 0.00 175.10 175.57 1xy3 s ASN 100 N 1.00 3.80 -0.06 3.32 2.47 0.27 -0.56 114.94 125.18 1xy3 s ASN 100 Ca 0.03 -0.40 0.02 0.00 0.42 0.00 0.00 52.86 52.93 1xy3 s ASN 100 Cb -0.14 -1.57 0.02 0.00 -1.45 0.00 0.00 41.25 38.10 1xy3 s ASN 100 CO 0.02 0.14 -0.09 -0.63 -3.72 0.00 0.00 177.10 172.82 1xy3 s ILE 101 N 0.48 0.94 -0.25 -5.21 1.01 -0.30 -1.26 121.20 116.61 1xy3 s ILE 101 Ca -0.10 -0.35 -0.01 0.00 0.00 0.00 0.00 60.65 60.18 1xy3 s ILE 101 Cb -0.16 -0.89 0.03 0.00 0.01 0.00 0.00 42.46 41.44 1xy3 s ILE 101 CO 0.05 0.32 -0.06 -0.69 0.00 0.00 0.00 174.94 174.55 1xy3 s VAL 102 N 0.86 2.86 -0.11 2.92 1.01 -0.58 -1.71 120.40 125.65 1xy3 s VAL 102 Ca -0.11 -1.07 -0.20 0.00 0.00 0.00 0.00 61.98 60.60 1xy3 s VAL 102 Cb -0.15 -2.47 -0.04 0.00 0.00 0.00 0.00 36.38 33.72 1xy3 s VAL 102 CO 0.01 0.17 0.56 0.00 0.00 0.00 0.00 175.10 175.84 1xy3 s HIS 104 N 0.81 3.50 -0.17 0.00 3.76 -0.24 -3.13 115.29 119.82 1xy3 s HIS 104 Ca 0.30 0.43 -0.29 0.00 -0.15 0.00 0.00 55.06 55.34 1xy3 s HIS 104 Cb -0.16 -1.90 -0.00 0.00 1.11 0.00 0.00 32.58 31.63 1xy3 s HIS 104 CO 0.13 0.52 1.03 1.03 -0.85 0.00 0.00 174.74 176.59 1xy3 s ARG 105 N -2.50 4.33 -0.54 1.40 0.52 -1.26 -4.54 118.95 116.35 1xy3 s ARG 105 Ca 0.37 1.38 0.06 0.00 -0.52 0.00 0.00 55.73 57.02 1xy3 s ARG 105 Cb -0.13 -3.60 0.21 0.00 0.52 0.00 0.00 34.95 31.95 1xy3 s ARG 105 CO 0.25 -0.49 0.52 0.91 0.02 0.00 0.00 175.30 176.51 1xy3 n TRP 106 N 5.72 1.44 -2.45 -0.53 5.03 -1.26 -4.19 117.44 121.19 1xy3 n TRP 106 Ca 0.11 -3.84 -0.42 0.00 3.03 0.00 0.00 57.50 56.37 1xy3 n TRP 106 Cb 0.47 -0.31 -0.03 0.00 -1.03 0.00 0.00 31.31 30.41 1xy3 n TRP 106 CO 0.00 0.00 0.00 0.99 -0.03 0.00 0.00 177.69 178.65 1xy3 s THR 107 N -1.24 4.15 0.30 -0.99 2.01 -0.59 -4.74 115.64 114.54 1xy3 s THR 107 Ca 0.33 1.53 -0.29 0.00 0.31 0.00 0.00 61.69 63.56 1xy3 s THR 107 Cb 0.07 -3.98 -0.13 0.00 0.01 0.00 0.00 72.50 68.47 1xy3 s THR 107 CO -0.13 0.08 1.31 -1.14 -0.69 0.00 0.00 174.62 174.06 1xy3 n ARG 108 N 4.31 2.05 -2.75 4.92 0.63 -1.26 -0.83 116.66 123.72 1xy3 n ARG 108 Ca 0.09 0.72 -0.38 0.00 -0.92 0.00 0.00 57.85 57.37 1xy3 n ARG 108 Cb 0.47 -2.31 -0.06 0.00 0.45 0.00 0.00 32.46 31.00 1xy3 n ARG 108 CO 0.00 0.00 0.00 -1.64 -2.51 0.00 0.00 177.63 173.48 1xy3 s MET 109 N -1.35 4.62 -0.39 -0.14 -1.94 -0.18 -4.79 119.30 115.13 1xy3 s MET 109 Ca 0.60 1.38 -0.09 0.00 -1.71 0.00 0.00 55.69 55.87 1xy3 s MET 109 Cb -0.60 -2.89 0.06 0.00 2.01 0.00 0.00 34.83 33.40 1xy3 s MET 109 CO 0.58 0.30 0.21 -0.51 -0.01 0.00 0.00 175.02 175.59 1xy3 s ASP 110 N -1.51 5.59 -0.26 3.03 1.01 -1.26 -0.04 116.67 123.22 1xy3 s ASP 110 Ca 0.49 -1.29 -0.05 0.00 0.71 0.00 0.00 52.55 52.40 1xy3 s ASP 110 Cb -0.21 -1.97 0.01 0.00 1.01 0.00 0.00 42.92 41.77 1xy3 s ASP 110 CO 0.26 -0.45 0.01 -0.63 0.21 0.00 0.00 175.17 174.57 1xy3 s ILE 111 N 1.45 3.55 -1.33 0.77 -1.09 -0.77 -4.52 121.20 119.26 1xy3 s ILE 111 Ca 0.02 -0.73 -0.03 0.00 -2.23 0.00 0.00 60.65 57.67 1xy3 s ILE 111 Cb -0.21 -2.78 0.00 0.00 -1.58 0.00 0.00 42.46 37.90 1xy3 s ILE 111 CO 0.03 0.19 0.46 0.47 -1.23 0.00 0.00 174.94 174.87 1xy3 n ASP 112 N 4.80 -5.38 -2.42 3.58 8.00 -1.26 -2.89 116.55 120.98 1xy3 n ASP 112 Ca -0.16 -0.22 -0.12 0.00 0.71 0.00 0.00 54.79 55.01 1xy3 n ASP 112 Cb 0.48 -4.24 0.05 0.00 -0.02 0.00 0.00 41.12 37.40 1xy3 n ASP 112 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1xy3 n GLY 113 N -1.37 -0.01 3.61 0.44 0.00 -1.26 -5.04 105.19 101.56 1xy3 n GLY 113 Ca -0.11 -0.13 -0.02 0.00 0.00 0.00 0.00 46.02 45.77 1xy3 n GLY 113 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1xy3 s LYS 114 N -5.18 0.55 -0.00 1.61 -2.85 -1.14 -5.13 119.74 107.60 1xy3 s LYS 114 Ca 0.13 1.21 -0.36 0.00 -1.00 0.00 0.00 55.97 55.95 1xy3 s LYS 114 Cb -0.06 0.55 -0.15 0.00 -2.06 0.00 0.00 37.83 36.12 1xy3 s LYS 114 CO 0.44 -0.16 1.57 -0.35 0.10 0.00 0.00 175.35 176.95 1xy3 n PRO 115 N 4.94 1.56 -2.71 1.78 -0.04 -1.26 -1.85 135.00 137.42 1xy3 n PRO 115 Ca -0.14 0.57 -0.39 0.00 -0.04 0.00 0.00 63.50 63.50 1xy3 n PRO 115 Cb 0.53 -2.28 -0.06 0.00 -0.04 0.00 0.00 33.50 31.65 1xy3 n PRO 115 CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 1xy3 s HIS 116 N 1.83 3.79 0.32 0.54 2.46 0.94 -4.90 115.29 120.27 1xy3 s HIS 116 Ca 0.87 1.83 0.02 0.00 0.47 0.00 0.00 55.06 58.25 1xy3 s HIS 116 Cb -0.87 -3.01 0.54 0.00 -0.13 0.00 0.00 32.58 29.11 1xy3 s HIS 116 CO 0.49 0.17 1.88 -1.00 -2.47 0.00 0.00 174.74 173.82 1xy3 h PRO 117 N 3.69 0.69 0.00 2.88 0.13 -1.91 -3.38 132.00 134.10 1xy3 h PRO 117 Ca -0.46 -0.12 -0.17 0.00 -0.87 0.00 0.00 66.00 64.38 1xy3 h PRO 117 Cb 1.20 -0.11 -0.34 0.00 0.13 0.00 0.00 31.00 31.88 1xy3 h PRO 117 CO 0.67 0.62 -0.91 -2.39 -0.23 0.00 0.00 178.00 175.75 1xy3 n HIS 118 N -4.31 0.00 -4.94 1.56 1.44 -1.26 -0.93 115.22 106.78 1xy3 n HIS 118 Ca 0.03 -0.48 -0.27 0.00 -2.01 0.00 0.00 57.72 54.99 1xy3 n HIS 118 Cb 0.20 -0.06 -0.16 0.00 0.12 0.00 0.00 29.99 30.09 1xy3 n HIS 118 CO 0.00 0.00 0.00 -1.12 -2.81 0.00 0.00 176.34 172.41 1xy3 s SER 119 N -1.82 2.37 0.22 4.39 0.01 -1.26 -5.04 113.70 112.57 1xy3 s SER 119 Ca 0.28 -0.39 0.03 0.00 1.31 0.00 0.00 55.95 57.19 1xy3 s SER 119 Cb 0.32 -0.64 -0.05 0.00 0.21 0.00 0.00 66.02 65.86 1xy3 s SER 119 CO -0.14 0.18 -0.01 -0.36 0.41 0.00 0.00 173.24 173.31 1xy3 s PHE 120 N -0.02 1.50 -0.00 2.43 0.40 -1.26 -1.01 117.98 120.02 1xy3 s PHE 120 Ca -0.03 -0.92 0.01 0.00 -0.60 0.00 0.00 56.93 55.39 1xy3 s PHE 120 Cb -0.12 -0.86 0.00 0.00 0.51 0.00 0.00 43.02 42.55 1xy3 s PHE 120 CO 0.02 -0.04 -0.02 -1.50 0.70 0.00 0.00 175.22 174.38 1xy3 s ILE 121 N -3.43 0.14 -0.88 0.64 2.07 -0.01 -4.83 121.20 114.90 1xy3 s ILE 121 Ca 0.27 -0.06 -0.23 0.00 -1.41 0.00 0.00 60.65 59.21 1xy3 s ILE 121 Cb 0.05 -0.13 0.06 0.00 0.13 0.00 0.00 42.46 42.57 1xy3 s ILE 121 CO 0.08 0.05 1.28 -0.60 -1.91 0.00 0.00 174.94 173.83 1xy3 s ARG 122 N 0.03 3.41 -0.01 3.50 6.06 -1.26 -1.55 118.95 129.13 1xy3 s ARG 122 Ca -0.00 -0.94 -0.17 0.00 -2.50 0.00 0.00 55.73 52.12 1xy3 s ARG 122 Cb -0.02 -4.80 -0.09 0.00 0.06 0.00 0.00 34.95 30.10 1xy3 s ARG 122 CO -0.00 -2.07 0.79 0.38 -2.50 0.00 0.00 175.30 171.90 1xy3 h ASP 123 N 9.68 -0.52 -1.52 -2.12 2.03 -1.91 -3.47 116.42 118.58 1xy3 h ASP 123 Ca -0.01 0.02 -0.56 0.00 -0.73 0.00 0.00 57.03 55.75 1xy3 h ASP 123 Cb 1.03 0.13 -0.08 0.00 -0.83 0.00 0.00 39.33 39.59 1xy3 h ASP 123 CO 1.30 -0.18 -0.48 -0.55 -1.03 0.00 0.00 179.24 178.30 1xy3 s SER 124 N -4.34 4.47 0.00 4.15 0.15 -1.26 -4.99 113.70 111.88 1xy3 s SER 124 Ca -0.09 -1.07 0.23 0.00 0.70 0.00 0.00 55.95 55.71 1xy3 s SER 124 Cb 0.01 -0.43 0.58 0.00 -1.71 0.00 0.00 66.02 64.47 1xy3 s SER 124 CO 0.27 -0.58 1.50 1.21 1.20 0.00 0.00 173.24 176.84 1xy3 n GLU 125 N -1.28 2.63 -2.39 5.44 4.07 -1.26 -4.58 120.64 123.27 1xy3 n GLU 125 Ca -0.01 -2.51 -0.41 0.00 -0.06 0.00 0.00 57.16 54.16 1xy3 n GLU 125 Cb 0.64 -1.55 -0.03 0.00 -0.06 0.00 0.00 31.44 30.44 1xy3 n GLU 125 CO 0.00 0.00 0.00 -2.00 -0.06 0.00 0.00 177.13 175.07 1xy3 s GLU 126 N -1.17 4.47 0.22 5.31 2.12 -1.26 -4.82 118.70 123.57 1xy3 s GLU 126 Ca 0.46 1.84 0.11 0.00 0.36 0.00 0.00 54.97 57.74 1xy3 s GLU 126 Cb 0.25 -3.28 -0.05 0.00 0.26 0.00 0.00 34.13 31.31 1xy3 s GLU 126 CO 0.33 -0.15 -0.19 0.15 -0.54 0.00 0.00 175.26 174.86 1xy3 s LYS 127 N 0.25 1.71 -0.21 4.30 -0.14 -0.63 -4.48 119.74 120.54 1xy3 s LYS 127 Ca 0.55 -1.53 -0.02 0.00 -1.36 0.00 0.00 55.97 53.61 1xy3 s LYS 127 Cb -0.32 -1.90 0.00 0.00 -1.68 0.00 0.00 37.83 33.93 1xy3 s LYS 127 CO 0.34 0.39 -0.10 0.50 -0.76 0.00 0.00 175.35 175.71 1xy3 s ARG 128 N -2.97 3.19 0.37 1.68 3.52 -1.18 -2.07 118.95 121.50 1xy3 s ARG 128 Ca 0.24 -0.73 0.08 0.00 -0.13 0.00 0.00 55.73 55.19 1xy3 s ARG 128 Cb -0.07 -2.85 -0.07 0.00 -1.56 0.00 0.00 34.95 30.40 1xy3 s ARG 128 CO 0.13 -0.22 -0.03 -0.80 -0.81 0.00 0.00 175.30 173.57 1xy3 s ASN 129 N 1.40 3.69 -0.05 -2.12 0.02 -0.15 -1.01 114.94 116.72 1xy3 s ASN 129 Ca 0.05 -1.29 -0.11 0.00 -1.02 0.00 0.00 52.86 50.48 1xy3 s ASN 129 Cb -0.14 -0.35 0.02 0.00 0.02 0.00 0.00 41.25 40.80 1xy3 s ASN 129 CO -0.07 -0.36 0.27 0.68 0.02 0.00 0.00 177.10 177.64 1xy3 s VAL 130 N -2.72 0.04 -0.24 1.60 -7.23 -0.69 -1.81 120.40 109.35 1xy3 s VAL 130 Ca 0.34 -0.31 -0.01 0.00 -1.81 0.00 0.00 61.98 60.18 1xy3 s VAL 130 Cb 0.07 -0.49 0.07 0.00 0.56 0.00 0.00 36.38 36.59 1xy3 s VAL 130 CO 0.17 -0.17 0.02 -1.58 -0.31 0.00 0.00 175.10 173.23 1xy3 s GLN 131 N -0.71 0.99 -0.18 4.82 0.74 -1.00 -1.15 119.66 123.17 1xy3 s GLN 131 Ca -0.08 -0.78 -0.07 0.00 0.05 0.00 0.00 55.36 54.48 1xy3 s GLN 131 Cb -0.04 -2.26 -0.04 0.00 1.10 0.00 0.00 33.01 31.77 1xy3 s GLN 131 CO 0.02 -0.71 0.04 0.08 -0.55 0.00 0.00 175.29 174.17 1xy3 s VAL 132 N 1.64 4.57 -0.26 1.34 1.01 0.27 -1.78 120.40 127.19 1xy3 s VAL 132 Ca 0.00 -0.11 0.03 0.00 0.00 0.00 0.00 61.98 61.90 1xy3 s VAL 132 Cb -0.18 -3.05 0.06 0.00 0.00 0.00 0.00 36.38 33.21 1xy3 s VAL 132 CO -0.11 0.46 -0.11 -1.81 0.00 0.00 0.00 175.10 173.53 1xy3 s ASP 133 N 0.41 4.46 -0.40 3.32 1.01 0.13 -0.95 116.67 124.66 1xy3 s ASP 133 Ca 0.01 -1.40 -0.12 0.00 0.71 0.00 0.00 52.55 51.76 1xy3 s ASP 133 Cb -0.13 -1.55 0.04 0.00 1.01 0.00 0.00 42.92 42.29 1xy3 s ASP 133 CO 0.01 -0.19 0.25 -0.69 0.21 0.00 0.00 175.17 174.75 1xy3 s VAL 134 N 1.10 4.67 -0.08 -1.27 1.01 -0.54 -1.24 120.40 124.06 1xy3 s VAL 134 Ca -0.09 -0.95 -0.01 0.00 0.00 0.00 0.00 61.98 60.93 1xy3 s VAL 134 Cb -0.20 -3.67 -0.03 0.00 0.00 0.00 0.00 36.38 32.48 1xy3 s VAL 134 CO -0.05 -0.33 -0.03 -0.69 0.00 0.00 0.00 175.10 174.00 1xy3 s VAL 135 N 1.56 4.04 -0.03 2.92 1.01 -1.11 -1.54 120.40 127.25 1xy3 s VAL 135 Ca 0.03 -0.35 -0.30 0.00 0.00 0.00 0.00 61.98 61.36 1xy3 s VAL 135 Cb -0.20 -2.68 -0.06 0.00 0.00 0.00 0.00 36.38 33.44 1xy3 s VAL 135 CO 0.06 0.60 1.74 -0.70 0.00 0.00 0.00 175.10 176.80 1xy3 s GLU 136 N -0.84 4.17 -0.71 2.72 2.12 -0.08 -2.30 118.70 123.78 1xy3 s GLU 136 Ca 0.13 2.30 0.00 0.00 0.36 0.00 0.00 54.97 57.76 1xy3 s GLU 136 Cb -0.11 -4.03 0.00 0.00 0.26 0.00 0.00 34.13 30.24 1xy3 s GLU 136 CO 0.02 -0.88 0.00 0.41 -0.54 0.00 0.00 175.26 174.27 1xy3 n GLY 137 N 4.24 0.09 0.42 -1.50 0.00 -1.26 -4.88 105.19 102.30 1xy3 n GLY 137 Ca 0.18 -0.55 0.00 0.00 0.00 0.00 0.00 46.02 45.65 1xy3 n GLY 137 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1xy3 n LYS 138 N -1.85 0.00 0.00 1.61 5.02 -0.97 -5.15 118.16 116.82 1xy3 n LYS 138 Ca -0.10 -0.46 0.00 0.00 -2.02 0.00 0.00 58.31 55.73 1xy3 n LYS 138 Cb 0.56 -0.25 0.00 0.00 -0.02 0.00 0.00 35.03 35.32 1xy3 n LYS 138 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1xy3 n GLY 139 N 0.00 0.16 3.25 0.72 0.00 -1.22 -4.76 105.19 103.34 1xy3 n GLY 139 Ca 0.00 -0.98 -0.32 0.00 0.00 0.00 0.00 46.02 44.71 1xy3 n GLY 139 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1xy3 s ILE 140 N 0.00 2.33 -0.17 -0.61 1.01 0.82 -2.74 121.20 121.85 1xy3 s ILE 140 Ca 0.00 -0.92 -0.05 0.00 0.00 0.00 0.00 60.65 59.68 1xy3 s ILE 140 Cb 0.00 -1.92 -0.03 0.00 0.01 0.00 0.00 42.46 40.51 1xy3 s ILE 140 CO 0.00 0.55 0.01 -1.81 0.00 0.00 0.00 174.94 173.69 1xy3 s ASP 141 N 0.42 5.19 0.00 3.58 1.01 -0.37 -1.14 116.67 125.37 1xy3 s ASP 141 Ca -0.15 -0.03 0.08 0.00 0.71 0.00 0.00 52.55 53.16 1xy3 s ASP 141 Cb -0.17 -1.86 -0.02 0.00 1.01 0.00 0.00 42.92 41.87 1xy3 s ASP 141 CO 0.07 0.18 -0.23 -0.63 0.21 0.00 0.00 175.17 174.76 1xy3 s ILE 142 N 0.34 1.87 -0.37 0.77 1.01 -1.26 -0.70 121.20 122.86 1xy3 s ILE 142 Ca -0.01 -1.10 0.00 0.00 0.00 0.00 0.00 60.65 59.55 1xy3 s ILE 142 Cb -0.13 -1.57 0.13 0.00 0.01 0.00 0.00 42.46 40.89 1xy3 s ILE 142 CO 0.02 0.44 0.20 -0.54 0.00 0.00 0.00 174.94 175.06 1xy3 s LYS 143 N -0.77 0.84 0.72 2.79 1.02 -0.73 -1.62 119.74 121.99 1xy3 s LYS 143 Ca 0.09 -1.49 -0.11 0.00 0.02 0.00 0.00 55.97 54.48 1xy3 s LYS 143 Cb -0.09 -1.82 0.03 0.00 -0.52 0.00 0.00 37.83 35.43 1xy3 s LYS 143 CO 0.00 -1.14 1.08 -1.12 -0.92 0.00 0.00 175.35 173.26 1xy3 s SER 144 N 0.96 5.21 -0.21 2.83 0.01 -0.98 -2.36 113.70 119.15 1xy3 s SER 144 Ca 0.16 1.29 -0.36 0.00 1.31 0.00 0.00 55.95 58.35 1xy3 s SER 144 Cb -0.22 -2.11 0.15 0.00 0.21 0.00 0.00 66.02 64.04 1xy3 s SER 144 CO -0.06 -1.51 1.29 -0.94 0.41 0.00 0.00 173.24 172.42 1xy3 s SER 145 N -4.11 -0.08 0.02 2.44 1.04 -0.75 -0.86 113.70 111.41 1xy3 s SER 145 Ca 0.59 -0.01 0.05 0.00 0.48 0.00 0.00 55.95 57.06 1xy3 s SER 145 Cb -0.13 0.09 -0.02 0.00 0.10 0.00 0.00 66.02 66.07 1xy3 s SER 145 CO 0.53 -0.15 -0.16 -1.48 0.98 0.00 0.00 173.24 172.96 1xy3 s LEU 146 N -2.19 2.12 0.06 2.42 0.05 0.48 -0.97 118.68 120.65 1xy3 s LEU 146 Ca 0.11 -0.41 -0.08 0.00 0.05 0.00 0.00 54.13 53.80 1xy3 s LEU 146 Cb -0.00 -0.76 -0.01 0.00 -2.05 0.00 0.00 46.19 43.37 1xy3 s LEU 146 CO -0.04 0.12 0.15 -0.94 -0.55 0.00 0.00 176.35 175.09 1xy3 s SER 147 N -0.89 0.14 -0.40 1.48 1.04 -0.88 -0.85 113.70 113.34 1xy3 s SER 147 Ca 0.05 -0.57 0.00 0.00 0.48 0.00 0.00 55.95 55.90 1xy3 s SER 147 Cb -0.07 0.29 0.00 0.00 0.10 0.00 0.00 66.02 66.34 1xy3 s SER 147 CO 0.01 -0.62 0.00 0.61 0.98 0.00 0.00 173.24 174.21 1xy3 n GLY 148 N 0.34 0.39 3.37 7.32 0.00 -1.15 -1.60 105.19 113.86 1xy3 n GLY 148 Ca -0.17 -0.77 -0.45 0.00 0.00 0.00 0.00 46.02 44.63 1xy3 n GLY 148 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1xy3 s LEU 149 N -1.12 5.64 -0.21 0.99 2.96 -1.23 -4.00 118.68 121.71 1xy3 s LEU 149 Ca 0.00 -1.72 -0.19 0.00 -0.22 0.00 0.00 54.13 52.00 1xy3 s LEU 149 Cb 0.00 -2.29 -0.03 0.00 0.50 0.00 0.00 46.19 44.37 1xy3 s LEU 149 CO 0.00 -1.01 0.54 -0.89 -1.32 0.00 0.00 176.35 173.68 1xy3 s THR 150 N 2.21 5.08 0.25 3.68 2.01 -1.26 -0.38 115.64 127.23 1xy3 s THR 150 Ca 0.14 1.00 0.04 0.00 0.31 0.00 0.00 61.69 63.18 1xy3 s THR 150 Cb -0.21 -3.86 -0.05 0.00 0.01 0.00 0.00 72.50 68.39 1xy3 s THR 150 CO 0.02 0.15 -0.01 0.68 -0.69 0.00 0.00 174.62 174.77 1xy3 s VAL 151 N 1.78 1.20 -0.22 3.82 -7.23 -0.60 -5.02 120.40 114.13 1xy3 s VAL 151 Ca 0.25 -2.05 -0.24 0.00 -1.81 0.00 0.00 61.98 58.12 1xy3 s VAL 151 Cb -0.16 -2.39 0.06 0.00 0.56 0.00 0.00 36.38 34.46 1xy3 s VAL 151 CO 0.10 -0.30 0.66 -0.22 -0.31 0.00 0.00 175.10 175.02 1xy3 s LEU 152 N -3.35 -0.52 -0.11 1.32 0.20 -1.26 -1.95 118.68 113.00 1xy3 s LEU 152 Ca 0.29 1.22 -0.00 0.00 0.69 0.00 0.00 54.13 56.33 1xy3 s LEU 152 Cb 0.05 2.29 0.02 0.00 -0.43 0.00 0.00 46.19 48.13 1xy3 s LEU 152 CO 0.10 -0.29 -0.09 -1.59 -0.29 0.00 0.00 176.35 174.20 1xy3 s LYS 153 N 0.10 1.61 0.12 1.98 -2.85 -0.41 -5.01 119.74 115.28 1xy3 s LYS 153 Ca -0.02 -0.29 0.15 0.00 -1.00 0.00 0.00 55.97 54.81 1xy3 s LYS 153 Cb -0.04 -1.62 0.67 0.00 -2.06 0.00 0.00 37.83 34.78 1xy3 s LYS 153 CO 0.02 -0.25 1.47 -1.13 0.10 0.00 0.00 175.35 175.56 1xy3 n SER 154 N 4.85 0.27 -3.02 0.03 3.41 -1.26 -2.03 113.62 115.87 1xy3 n SER 154 Ca -0.14 0.59 -0.07 0.00 -0.26 0.00 0.00 58.87 58.99 1xy3 n SER 154 Cb 0.50 -0.64 0.03 0.00 -0.26 0.00 0.00 64.21 63.84 1xy3 n SER 154 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1xy3 s THR 155 N -3.17 0.00 -0.36 6.66 -1.32 -1.26 -4.46 115.64 111.72 1xy3 s THR 155 Ca 0.03 -0.85 -0.02 0.00 -1.21 0.00 0.00 61.69 59.64 1xy3 s THR 155 Cb 0.07 -2.96 0.00 0.00 -1.51 0.00 0.00 72.50 68.10 1xy3 s THR 155 CO 0.23 0.00 0.32 0.59 -2.21 0.00 0.00 174.62 173.55 1xy3 n ASN 156 N -1.42 -3.17 -3.76 8.08 4.13 -1.26 -4.90 115.26 112.95 1xy3 n ASN 156 Ca -0.07 -0.15 -0.12 0.00 1.68 0.00 0.00 54.58 55.92 1xy3 n ASN 156 Cb 0.60 -1.72 -0.12 0.00 -1.54 0.00 0.00 39.78 37.00 1xy3 n ASN 156 CO 0.00 0.00 0.00 -0.55 0.28 0.00 0.00 177.26 176.99 1xy3 s SER 157 N -3.09 -0.28 0.12 6.41 0.15 -1.26 -2.85 113.70 112.90 1xy3 s SER 157 Ca 0.16 0.54 -0.00 0.00 0.70 0.00 0.00 55.95 57.34 1xy3 s SER 157 Cb -0.07 0.50 -0.04 0.00 -1.71 0.00 0.00 66.02 64.70 1xy3 s SER 157 CO 0.20 -0.12 0.01 -1.10 1.20 0.00 0.00 173.24 173.43 1xy3 s GLN 158 N 0.57 0.89 -0.24 5.44 -0.21 0.15 -1.25 119.66 125.01 1xy3 s GLN 158 Ca -0.04 -1.40 -0.02 0.00 0.02 0.00 0.00 55.36 53.92 1xy3 s GLN 158 Cb -0.05 0.06 0.12 0.00 1.00 0.00 0.00 33.01 34.14 1xy3 s GLN 158 CO -0.03 -0.17 0.29 0.12 -2.12 0.00 0.00 175.29 173.38 1xy3 s PHE 159 N -3.88 -0.52 0.18 0.91 5.36 -0.76 -3.86 117.98 115.42 1xy3 s PHE 159 Ca 0.19 0.29 -0.17 0.00 -0.96 0.00 0.00 56.93 56.27 1xy3 s PHE 159 Cb 0.07 -0.27 0.03 0.00 -0.34 0.00 0.00 43.02 42.51 1xy3 s PHE 159 CO -0.01 -0.74 0.50 1.67 -1.46 0.00 0.00 175.22 175.17 1xy3 s TRP 160 N 2.41 -0.15 0.00 10.12 1.48 -1.26 -1.32 118.94 130.22 1xy3 s TRP 160 Ca 0.09 -0.17 0.00 0.00 -1.06 0.00 0.00 56.10 54.96 1xy3 s TRP 160 Cb -0.15 0.36 0.00 0.00 -1.16 0.00 0.00 33.47 32.52 1xy3 s TRP 160 CO -0.20 -0.86 0.00 0.41 -4.06 0.00 0.00 176.95 172.24 1xy3 n GLY 161 N -0.32 1.30 3.73 3.67 0.00 -1.26 -5.04 105.19 107.28 1xy3 n GLY 161 Ca -0.12 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.57 1xy3 n GLY 161 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1xy3 s PHE 162 N -2.41 2.16 0.41 1.61 -0.71 -1.26 -4.95 117.98 112.83 1xy3 s PHE 162 Ca 0.00 1.63 -0.25 0.00 -1.04 0.00 0.00 56.93 57.27 1xy3 s PHE 162 Cb 0.00 -3.32 -0.11 0.00 -1.21 0.00 0.00 43.02 38.39 1xy3 s PHE 162 CO 0.00 -2.34 1.02 -0.11 -1.34 0.00 0.00 175.22 172.46 1xy3 n LEU 163 N -3.11 2.65 -3.89 -1.99 0.00 -1.26 -5.02 117.00 104.39 1xy3 n LEU 163 Ca 0.12 1.05 -0.19 0.00 0.00 0.00 0.00 56.01 56.98 1xy3 n LEU 163 Cb 0.51 -1.36 -0.16 0.00 0.00 0.00 0.00 43.42 42.41 1xy3 n LEU 163 CO 0.49 -1.43 -0.40 -0.13 0.00 0.00 0.00 177.39 175.91 1xy3 s ARG 164 N -2.00 0.74 0.00 1.96 0.52 -1.26 -4.97 118.95 113.94 1xy3 s ARG 164 Ca 0.63 -0.08 0.00 0.00 -0.52 0.00 0.00 55.73 55.75 1xy3 s ARG 164 Cb -0.56 -0.77 0.00 0.00 0.52 0.00 0.00 34.95 34.14 1xy3 s ARG 164 CO 0.57 -0.08 0.00 -0.40 0.02 0.00 0.00 175.30 175.41 1xy3 n ASP 165 N 4.01 0.00 0.00 0.23 5.68 -1.26 -5.00 116.55 120.21 1xy3 n ASP 165 Ca -0.26 0.00 0.05 0.00 -0.50 0.00 0.00 54.79 54.09 1xy3 n ASP 165 Cb 0.51 0.00 0.32 0.00 -1.14 0.00 0.00 41.12 40.80 1xy3 n ASP 165 CO 0.00 0.00 0.00 -1.84 -1.33 0.00 0.00 177.20 174.03 1xy3 n GLU 166 N 0.00 0.85 0.00 0.11 0.00 -1.26 -2.64 120.64 117.70 1xy3 n GLU 166 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 57.16 57.19 1xy3 n GLU 166 Cb 0.00 -1.20 0.01 0.00 0.00 0.00 0.00 31.44 30.26 1xy3 n GLU 166 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.13 177.79 1xy3 n TYR 167 N -0.70 0.00 -3.70 -1.84 4.01 -1.26 -5.02 117.16 108.66 1xy3 n TYR 167 Ca 0.08 0.00 -0.35 0.00 -0.16 0.00 0.00 57.90 57.47 1xy3 n TYR 167 Cb 0.04 0.00 -0.05 0.00 -0.31 0.00 0.00 39.34 39.01 1xy3 n TYR 167 CO 0.00 0.00 0.00 0.99 -0.46 0.00 0.00 176.86 177.39 1xy3 s THR 168 N -0.73 5.24 0.00 -0.72 2.01 -1.08 -4.93 115.64 115.44 1xy3 s THR 168 Ca 0.06 0.33 0.00 0.00 0.31 0.00 0.00 61.69 62.39 1xy3 s THR 168 Cb 0.05 -3.58 0.00 0.00 0.01 0.00 0.00 72.50 68.97 1xy3 s THR 168 CO 0.11 0.41 0.00 0.35 -0.69 0.00 0.00 174.62 174.80 1xy3 n THR 169 N 1.27 0.00 -2.02 -0.82 -2.24 -1.26 -4.85 114.28 104.36 1xy3 n THR 169 Ca -0.12 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.24 1xy3 n THR 169 Cb 0.53 0.30 -0.03 0.00 -2.10 0.00 0.00 70.33 69.03 1xy3 n THR 169 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 1xy3 s LEU 170 N 0.00 4.38 0.11 3.22 2.96 -1.26 -5.01 118.68 123.08 1xy3 s LEU 170 Ca 0.00 2.55 -0.13 0.00 -0.22 0.00 0.00 54.13 56.33 1xy3 s LEU 170 Cb 0.00 -3.60 -0.06 0.00 0.50 0.00 0.00 46.19 43.03 1xy3 s LEU 170 CO 0.00 -0.74 0.50 -0.54 -1.32 0.00 0.00 176.35 174.25 1xy3 s LYS 171 N 0.72 3.92 0.52 1.98 1.02 -1.26 -5.06 119.74 121.59 1xy3 s LYS 171 Ca 0.66 0.41 -0.21 0.00 0.02 0.00 0.00 55.97 56.84 1xy3 s LYS 171 Cb -0.41 -2.99 -0.06 0.00 -0.52 0.00 0.00 37.83 33.85 1xy3 s LYS 171 CO 0.34 0.53 1.20 -1.21 -0.92 0.00 0.00 175.35 175.29 1xy3 s GLU 172 N -1.84 3.38 0.06 1.68 2.02 -1.26 -5.01 118.70 117.74 1xy3 s GLU 172 Ca 0.35 1.84 0.02 0.00 0.02 0.00 0.00 54.97 57.19 1xy3 s GLU 172 Cb -0.15 -2.19 -0.03 0.00 0.10 0.00 0.00 34.13 31.86 1xy3 s GLU 172 CO 0.18 -0.88 -0.07 -0.08 0.02 0.00 0.00 175.26 174.44 1xy3 s THR 173 N -1.56 0.55 0.00 3.63 -1.32 -0.43 -5.01 115.64 111.50 1xy3 s THR 173 Ca 0.70 -1.47 0.00 0.00 -1.21 0.00 0.00 61.69 59.71 1xy3 s THR 173 Cb -0.30 -1.08 0.00 0.00 -1.51 0.00 0.00 72.50 69.60 1xy3 s THR 173 CO 0.35 -0.63 0.61 0.79 -2.21 0.00 0.00 174.62 173.53 1xy3 n TRP 174 N 0.77 0.00 -3.59 9.09 8.01 -1.26 -1.83 117.44 128.63 1xy3 n TRP 174 Ca -0.18 -0.14 -0.03 0.00 -1.31 0.00 0.00 57.50 55.85 1xy3 n TRP 174 Cb 0.58 -0.01 -0.05 0.00 -2.01 0.00 0.00 31.31 29.81 1xy3 n TRP 174 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.69 177.02 1xy3 s ASP 175 N -0.27 -0.89 0.24 -0.99 2.15 -1.23 -4.58 116.67 111.10 1xy3 s ASP 175 Ca 0.00 1.30 -0.18 0.00 0.43 0.00 0.00 52.55 54.10 1xy3 s ASP 175 Cb 0.00 2.00 0.02 0.00 -0.30 0.00 0.00 42.92 44.64 1xy3 s ASP 175 CO 0.00 -0.23 0.59 0.00 -0.17 0.00 0.00 175.17 175.36 1xy3 s ARG 176 N 2.81 1.56 -0.13 4.34 1.70 -0.38 -4.98 118.95 123.87 1xy3 s ARG 176 Ca -0.01 -0.98 -0.24 0.00 -0.47 0.00 0.00 55.73 54.03 1xy3 s ARG 176 Cb -0.12 0.54 -0.03 0.00 -0.57 0.00 0.00 34.95 34.77 1xy3 s ARG 176 CO -0.17 -0.68 0.73 0.42 -1.08 0.00 0.00 175.30 174.52 1xy3 s ILE 177 N -3.92 4.98 -0.30 4.99 1.01 -1.26 -4.11 121.20 122.59 1xy3 s ILE 177 Ca 0.13 1.46 -0.04 0.00 0.00 0.00 0.00 60.65 62.20 1xy3 s ILE 177 Cb -0.03 -4.06 0.03 0.00 0.01 0.00 0.00 42.46 38.42 1xy3 s ILE 177 CO 0.03 0.14 0.03 -0.22 0.00 0.00 0.00 174.94 174.92 1xy3 s LEU 178 N 1.49 3.82 0.12 2.97 2.96 -0.86 -4.76 118.68 124.42 1xy3 s LEU 178 Ca 0.36 -1.03 0.08 0.00 -0.22 0.00 0.00 54.13 53.32 1xy3 s LEU 178 Cb -0.17 -1.77 -0.04 0.00 0.50 0.00 0.00 46.19 44.71 1xy3 s LEU 178 CO 0.15 -0.23 -0.21 -0.55 -1.32 0.00 0.00 176.35 174.19 1xy3 s SER 179 N 1.35 2.61 -0.15 3.68 0.15 -1.26 -1.29 113.70 118.80 1xy3 s SER 179 Ca -0.02 -0.73 -0.34 0.00 0.70 0.00 0.00 55.95 55.56 1xy3 s SER 179 Cb -0.18 -0.15 0.13 0.00 -1.71 0.00 0.00 66.02 64.11 1xy3 s SER 179 CO -0.00 0.04 1.18 0.28 1.20 0.00 0.00 173.24 175.94 1xy3 s THR 180 N -1.37 0.00 -0.19 6.45 -1.32 -0.82 -1.65 115.64 116.74 1xy3 s THR 180 Ca 0.09 -0.03 -0.06 0.00 -1.21 0.00 0.00 61.69 60.47 1xy3 s THR 180 Cb -0.09 -1.12 -0.04 0.00 -1.51 0.00 0.00 72.50 69.75 1xy3 s THR 180 CO 0.05 0.00 0.04 -1.81 -2.21 0.00 0.00 174.62 170.69 1xy3 s ASP 181 N -2.30 5.32 -0.22 8.08 1.01 -1.18 -1.56 116.67 125.81 1xy3 s ASP 181 Ca 0.09 -0.03 -0.15 0.00 0.71 0.00 0.00 52.55 53.18 1xy3 s ASP 181 Cb -0.00 -1.91 -0.04 0.00 1.01 0.00 0.00 42.92 41.98 1xy3 s ASP 181 CO -0.05 0.14 0.36 -0.69 0.21 0.00 0.00 175.17 175.14 1xy3 s VAL 182 N 0.59 5.21 -0.31 -1.27 1.01 0.49 -3.71 120.40 122.41 1xy3 s VAL 182 Ca 0.02 0.61 0.03 0.00 0.00 0.00 0.00 61.98 62.63 1xy3 s VAL 182 Cb -0.13 -3.69 0.09 0.00 0.00 0.00 0.00 36.38 32.64 1xy3 s VAL 182 CO 0.02 0.24 0.01 -0.62 0.00 0.00 0.00 175.10 174.75 1xy3 s ASP 183 N 1.19 4.52 -0.10 3.32 -1.08 -1.19 -2.92 116.67 120.42 1xy3 s ASP 183 Ca 0.17 -1.84 0.03 0.00 -0.52 0.00 0.00 52.55 50.39 1xy3 s ASP 183 Cb -0.15 -1.48 -0.01 0.00 -1.46 0.00 0.00 42.92 39.82 1xy3 s ASP 183 CO 0.08 -0.33 -0.20 0.00 0.52 0.00 0.00 175.17 175.24 1xy3 s ALA 184 N 1.07 2.36 -0.04 3.66 0.00 -0.03 -1.63 121.76 127.15 1xy3 s ALA 184 Ca 0.05 -0.96 0.04 0.00 0.00 0.00 0.00 51.96 51.09 1xy3 s ALA 184 Cb -0.19 -0.93 -0.00 0.00 0.00 0.00 0.00 23.12 22.00 1xy3 s ALA 184 CO -0.09 0.32 -0.16 0.99 0.00 0.00 0.00 175.76 176.82 1xy3 s THR 185 N 0.15 1.34 -0.21 0.00 2.01 0.08 -0.38 115.64 118.63 1xy3 s THR 185 Ca -0.11 -0.67 0.01 0.00 0.31 0.00 0.00 61.69 61.23 1xy3 s THR 185 Cb -0.16 -1.16 0.05 0.00 0.01 0.00 0.00 72.50 71.24 1xy3 s THR 185 CO 0.06 0.39 -0.08 -1.66 -0.69 0.00 0.00 174.62 172.64 1xy3 s TRP 186 N 0.04 2.32 -0.13 4.92 -2.14 -0.04 -0.36 118.94 123.54 1xy3 s TRP 186 Ca -0.03 -1.59 -0.27 0.00 2.66 0.00 0.00 56.10 56.87 1xy3 s TRP 186 Cb -0.11 -1.57 -0.02 0.00 -3.10 0.00 0.00 33.47 28.67 1xy3 s TRP 186 CO 0.02 -0.74 0.89 -1.14 -2.66 0.00 0.00 176.95 173.32 1xy3 s GLN 187 N 1.43 4.37 0.54 3.25 0.74 -0.46 -2.32 119.66 127.20 1xy3 s GLN 187 Ca -0.03 1.16 -0.09 0.00 0.05 0.00 0.00 55.36 56.46 1xy3 s GLN 187 Cb -0.17 -3.55 -0.04 0.00 1.10 0.00 0.00 33.01 30.35 1xy3 s GLN 187 CO -0.07 -0.28 0.90 -1.58 -0.55 0.00 0.00 175.29 173.71 1xy3 s TRP 188 N 1.94 3.58 0.32 1.67 0.52 -0.64 -0.76 118.94 125.57 1xy3 s TRP 188 Ca 0.42 1.06 -0.29 0.00 0.02 0.00 0.00 56.10 57.32 1xy3 s TRP 188 Cb -0.17 -2.52 -0.10 0.00 -1.15 0.00 0.00 33.47 29.53 1xy3 s TRP 188 CO 0.15 -0.46 1.28 0.21 0.02 0.00 0.00 176.95 178.16 1xy3 s LYS 189 N -4.86 4.39 -0.04 4.98 2.20 -0.32 -4.56 119.74 121.52 1xy3 s LYS 189 Ca 0.51 2.17 -0.38 0.00 -0.36 0.00 0.00 55.97 57.92 1xy3 s LYS 189 Cb -0.11 -3.08 -0.16 0.00 -1.51 0.00 0.00 37.83 32.97 1xy3 s LYS 189 CO 0.48 -0.15 1.52 -1.71 -0.36 0.00 0.00 175.35 175.13 1xy3 n ASN 190 N 0.86 2.06 -4.87 1.43 2.85 -1.26 -4.85 115.26 111.49 1xy3 n ASN 190 Ca -0.00 1.10 -0.35 0.00 -0.11 0.00 0.00 54.58 55.22 1xy3 n ASN 190 Cb 0.42 -1.19 -0.05 0.00 1.24 0.00 0.00 39.78 40.19 1xy3 n ASN 190 CO 0.00 0.00 0.00 -0.36 -2.11 0.00 0.00 177.26 174.79 1xy3 s PHE 191 N 1.72 3.58 0.16 1.20 0.08 -0.29 -4.93 117.98 119.50 1xy3 s PHE 191 Ca 0.89 0.79 -0.01 0.00 0.12 0.00 0.00 56.93 58.72 1xy3 s PHE 191 Cb -0.97 -2.16 -0.01 0.00 -0.57 0.00 0.00 43.02 39.31 1xy3 s PHE 191 CO 0.53 0.52 1.37 0.66 -0.10 0.00 0.00 175.22 178.20 1xy3 h SER 192 N 3.70 0.43 -0.70 1.36 4.64 -1.93 0.23 113.55 121.29 1xy3 h SER 192 Ca -0.49 -0.32 0.02 0.00 -0.47 0.00 0.00 61.79 60.53 1xy3 h SER 192 Cb 1.19 -0.13 -0.00 0.00 -0.31 0.00 0.00 62.40 63.15 1xy3 h SER 192 CO 0.66 1.10 0.06 0.61 -0.87 0.00 0.00 176.83 178.40 1xy3 n GLY 193 N 0.79 1.12 0.09 -0.77 0.00 -1.26 -4.11 105.19 101.04 1xy3 n GLY 193 Ca -0.05 -0.93 -0.11 0.00 0.00 0.00 0.00 46.02 44.93 1xy3 n GLY 193 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1xy3 h LEU 194 N 0.00 0.16 -0.94 0.99 6.46 -1.95 -2.97 115.31 117.05 1xy3 h LEU 194 Ca -0.03 -0.05 0.22 0.00 -0.12 0.00 0.00 57.88 57.90 1xy3 h LEU 194 Cb 0.12 -0.04 -0.12 0.00 -0.73 0.00 0.00 40.66 39.89 1xy3 h LEU 194 CO 0.04 0.16 0.49 -0.61 -0.62 0.00 0.00 178.44 177.90 1xy3 h GLN 195 N 0.14 0.52 -0.45 1.25 4.15 -1.99 0.12 115.11 118.85 1xy3 h GLN 195 Ca 0.05 -0.03 -0.11 0.00 0.77 0.00 0.00 58.65 59.33 1xy3 h GLN 195 Cb 0.03 -0.12 -0.02 0.00 0.21 0.00 0.00 27.48 27.59 1xy3 h GLN 195 CO -0.01 0.34 -0.15 1.49 -1.93 0.00 0.00 178.83 178.57 1xy3 h GLU 196 N 0.54 0.86 -0.39 1.69 4.81 -1.94 -2.24 114.58 117.91 1xy3 h GLU 196 Ca 0.58 -0.32 -0.05 0.00 -0.13 0.00 0.00 59.36 59.44 1xy3 h GLU 196 Cb 1.04 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 30.36 1xy3 h GLU 196 CO -0.47 0.95 0.05 0.28 -0.73 0.00 0.00 179.01 179.09 1xy3 h VAL 197 N 0.76 1.25 -0.72 0.32 2.07 -0.93 -2.86 116.25 116.13 1xy3 h VAL 197 Ca 0.12 -0.89 0.06 0.00 0.82 0.00 0.00 66.70 66.81 1xy3 h VAL 197 Cb 0.67 1.07 -0.04 0.00 -1.52 0.00 0.00 31.29 31.47 1xy3 h VAL 197 CO 0.05 0.30 0.48 0.03 0.02 0.00 0.00 177.57 178.45 1xy3 h ARG 198 N 0.49 0.73 0.00 1.57 3.08 -0.87 -1.27 114.38 118.11 1xy3 h ARG 198 Ca 0.12 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.12 1xy3 h ARG 198 Cb 0.39 -0.16 0.00 0.00 0.08 0.00 0.00 29.97 30.28 1xy3 h ARG 198 CO 0.01 0.48 0.00 0.66 -1.07 0.00 0.00 179.97 180.05 1xy3 h SER 199 N 0.75 0.00 -0.25 7.04 4.64 -1.18 -3.08 113.55 121.47 1xy3 h SER 199 Ca 0.31 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.63 1xy3 h SER 199 Cb 0.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.35 1xy3 h SER 199 CO -0.10 0.00 0.00 1.41 -0.87 0.00 0.00 176.83 177.27 1xy3 n HIS 200 N -2.51 0.60 -0.23 4.77 8.25 -0.50 -4.76 115.22 120.84 1xy3 n HIS 200 Ca 0.03 -0.70 0.02 0.00 -0.26 0.00 0.00 57.72 56.80 1xy3 n HIS 200 Cb 0.31 -0.16 0.11 0.00 1.12 0.00 0.00 29.99 31.37 1xy3 n HIS 200 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 1xy3 h VAL 201 N 1.60 0.40 0.00 1.59 2.07 -1.40 -1.77 116.25 118.74 1xy3 h VAL 201 Ca 0.00 -0.03 -0.00 0.00 0.82 0.00 0.00 66.70 67.49 1xy3 h VAL 201 Cb 1.04 0.31 -0.00 0.00 -1.52 0.00 0.00 31.29 31.13 1xy3 h VAL 201 CO 0.10 0.01 -0.00 -0.65 0.02 0.00 0.00 177.57 177.05 1xy3 h PRO 202 N 0.08 0.00 0.00 1.57 0.11 -1.87 -2.64 132.00 129.25 1xy3 h PRO 202 Ca 0.35 0.00 -0.13 0.00 0.11 0.00 0.00 66.00 66.33 1xy3 h PRO 202 Cb 0.58 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.67 1xy3 h PRO 202 CO -0.61 0.00 -0.62 0.87 -0.21 0.00 0.00 178.00 177.42 1xy3 h LYS 203 N 0.00 0.00 0.06 1.05 1.57 -1.69 -3.30 116.57 114.26 1xy3 h LYS 203 Ca -0.00 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1xy3 h LYS 203 Cb 0.01 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.32 1xy3 h LYS 203 CO 0.00 0.62 -0.03 0.74 -0.57 0.00 0.00 179.45 180.22 1xy3 h PHE 204 N 0.00 -0.07 -0.30 -1.35 0.04 -1.55 0.65 116.94 114.37 1xy3 h PHE 204 Ca -0.01 -0.00 -0.07 0.00 2.80 0.00 0.00 57.97 60.70 1xy3 h PHE 204 Cb 1.26 0.02 -0.01 0.00 2.20 0.00 0.00 35.95 39.43 1xy3 h PHE 204 CO 0.00 0.03 -0.07 -0.44 -0.60 0.00 0.00 178.31 177.23 1xy3 h ASP 205 N -0.15 0.58 0.08 2.17 5.19 -1.74 -2.67 116.42 119.88 1xy3 h ASP 205 Ca -0.01 -0.36 0.00 0.00 -0.62 0.00 0.00 57.03 56.04 1xy3 h ASP 205 Cb 0.13 -0.16 -0.01 0.00 0.18 0.00 0.00 39.33 39.48 1xy3 h ASP 205 CO 0.01 0.80 -0.07 0.00 -3.12 0.00 0.00 179.24 176.87 1xy3 h ALA 206 N 0.79 -0.13 -0.91 3.45 0.00 -1.62 -1.15 119.26 119.69 1xy3 h ALA 206 Ca 0.08 -0.02 0.07 0.00 0.00 0.00 0.00 54.91 55.03 1xy3 h ALA 206 Cb 0.55 0.09 -0.06 0.00 0.00 0.00 0.00 17.79 18.37 1xy3 h ALA 206 CO 0.03 -0.58 0.59 1.15 0.00 0.00 0.00 179.25 180.43 1xy3 h THR 207 N -0.15 1.06 0.23 0.00 2.02 -0.90 0.74 112.91 115.91 1xy3 h THR 207 Ca 0.00 -0.35 -0.01 0.00 0.77 0.00 0.00 66.41 66.82 1xy3 h THR 207 Cb 0.14 -0.05 0.00 0.00 -1.74 0.00 0.00 68.15 66.50 1xy3 h THR 207 CO -0.01 0.19 -0.11 -0.25 0.37 0.00 0.00 175.52 175.70 1xy3 h TRP 208 N 1.03 -0.29 -0.81 3.16 7.01 -1.10 0.13 115.95 125.08 1xy3 h TRP 208 Ca 0.39 -0.01 0.15 0.00 2.11 0.00 0.00 58.89 61.53 1xy3 h TRP 208 Cb 0.20 0.10 -0.10 0.00 -2.10 0.00 0.00 29.16 27.26 1xy3 h TRP 208 CO -0.00 -0.05 0.38 0.00 -2.79 0.00 0.00 178.44 175.98 1xy3 h ALA 209 N 0.22 1.19 0.33 2.65 0.00 -0.52 -0.43 119.26 122.70 1xy3 h ALA 209 Ca -0.03 0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 1xy3 h ALA 209 Cb 0.37 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.20 1xy3 h ALA 209 CO 0.05 -0.15 -0.16 1.15 0.00 0.00 0.00 179.25 180.14 1xy3 h THR 210 N 0.54 0.70 -0.91 0.00 2.02 -0.60 -1.21 112.91 113.45 1xy3 h THR 210 Ca 0.44 -0.27 0.16 0.00 0.77 0.00 0.00 66.41 67.52 1xy3 h THR 210 Cb 0.66 0.84 -0.10 0.00 -1.74 0.00 0.00 68.15 67.81 1xy3 h THR 210 CO -0.38 0.06 0.50 0.00 0.37 0.00 0.00 175.52 176.06 1xy3 h ALA 211 N 0.04 1.42 -0.07 6.16 0.00 0.31 0.01 119.26 127.12 1xy3 h ALA 211 Ca -0.04 0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 1xy3 h ALA 211 Cb 0.43 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.18 1xy3 h ALA 211 CO 0.07 -0.07 -0.02 -0.09 0.00 0.00 0.00 179.25 179.14 1xy3 h ARG 212 N 0.67 0.15 -0.54 0.00 2.43 -0.98 -2.32 114.38 113.79 1xy3 h ARG 212 Ca 0.51 -0.06 0.01 0.00 -0.81 0.00 0.00 59.98 59.63 1xy3 h ARG 212 Cb 0.74 -0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 30.25 1xy3 h ARG 212 CO -0.37 0.49 0.34 1.49 -1.51 0.00 0.00 179.97 180.41 1xy3 h GLU 213 N -0.20 0.67 -0.69 0.20 4.81 -0.40 -1.40 114.58 117.57 1xy3 h GLU 213 Ca 0.02 -0.04 -0.05 0.00 -0.13 0.00 0.00 59.36 59.15 1xy3 h GLU 213 Cb 0.44 -0.15 -0.03 0.00 0.63 0.00 0.00 28.75 29.64 1xy3 h GLU 213 CO 0.01 0.44 0.22 0.28 -0.73 0.00 0.00 179.01 179.23 1xy3 h VAL 214 N 0.69 1.25 -0.39 0.32 2.07 -1.06 -1.16 116.25 117.97 1xy3 h VAL 214 Ca 0.21 -0.87 -0.04 0.00 0.82 0.00 0.00 66.70 66.82 1xy3 h VAL 214 Cb -0.04 0.52 -0.02 0.00 -1.52 0.00 0.00 31.29 30.23 1xy3 h VAL 214 CO -0.07 0.34 0.08 0.74 0.02 0.00 0.00 177.57 178.68 1xy3 h THR 215 N 1.00 1.23 -0.19 2.57 2.02 -1.08 -1.07 112.91 117.39 1xy3 h THR 215 Ca 0.22 -0.82 -0.03 0.00 0.77 0.00 0.00 66.41 66.55 1xy3 h THR 215 Cb 0.29 1.03 -0.01 0.00 -1.74 0.00 0.00 68.15 67.72 1xy3 h THR 215 CO -0.01 0.28 -0.01 -0.07 0.37 0.00 0.00 175.52 176.08 1xy3 h LEU 216 N 0.48 0.35 0.63 2.58 4.07 -1.16 -2.59 115.31 119.67 1xy3 h LEU 216 Ca 0.12 -0.33 -0.03 0.00 0.08 0.00 0.00 57.88 57.72 1xy3 h LEU 216 Cb 0.34 -0.09 0.01 0.00 1.08 0.00 0.00 40.66 41.99 1xy3 h LEU 216 CO 0.00 0.59 -0.30 0.50 -1.08 0.00 0.00 178.44 178.15 1xy3 h LYS 217 N 0.10 -0.81 -0.52 1.13 3.64 -1.19 -2.38 116.57 116.53 1xy3 h LYS 217 Ca 0.05 0.06 0.11 0.00 -1.27 0.00 0.00 60.65 59.60 1xy3 h LYS 217 Cb 0.42 0.18 -0.03 0.00 -0.41 0.00 0.00 32.23 32.40 1xy3 h LYS 217 CO 0.01 -0.50 0.36 1.15 -2.27 0.00 0.00 179.45 178.21 1xy3 h THR 218 N -1.01 0.84 -0.10 1.00 2.02 -1.29 -0.91 112.91 113.46 1xy3 h THR 218 Ca -0.09 -0.07 -0.10 0.00 0.77 0.00 0.00 66.41 66.92 1xy3 h THR 218 Cb 0.69 0.61 0.00 0.00 -1.74 0.00 0.00 68.15 67.71 1xy3 h THR 218 CO 0.14 0.04 -0.32 0.15 0.37 0.00 0.00 175.52 175.90 1xy3 h PHE 219 N 0.21 0.51 -0.40 3.16 3.57 -1.39 -2.50 116.94 120.10 1xy3 h PHE 219 Ca 0.25 -0.21 -0.16 0.00 3.53 0.00 0.00 57.97 61.38 1xy3 h PHE 219 Cb 0.69 -0.09 -0.01 0.00 2.79 0.00 0.00 35.95 39.33 1xy3 h PHE 219 CO -0.00 0.93 -0.36 0.00 -2.23 0.00 0.00 178.31 176.65 1xy3 h ALA 220 N 0.48 0.59 0.00 2.41 0.00 -0.84 -3.33 119.26 118.57 1xy3 h ALA 220 Ca -0.01 -0.45 -0.23 0.00 0.00 0.00 0.00 54.91 54.22 1xy3 h ALA 220 Cb 0.94 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.56 1xy3 h ALA 220 CO 0.07 0.68 -1.39 0.93 0.00 0.00 0.00 179.25 179.54 1xy3 h GLU 221 N 0.79 0.00 -6.30 0.00 5.08 -1.30 -3.46 114.58 109.38 1xy3 h GLU 221 Ca 0.07 0.00 -0.57 0.00 -1.00 0.00 0.00 59.36 57.86 1xy3 h GLU 221 Cb 0.95 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.17 1xy3 h GLU 221 CO 0.09 0.56 1.24 0.34 -1.00 0.00 0.00 179.01 180.25 1xy3 s ASP 222 N -6.19 5.95 -0.83 1.42 2.15 -0.94 -4.91 116.67 113.31 1xy3 s ASP 222 Ca -0.02 1.19 -0.25 0.00 0.43 0.00 0.00 52.55 53.89 1xy3 s ASP 222 Cb 0.09 -2.53 0.00 0.00 -0.30 0.00 0.00 42.92 40.18 1xy3 s ASP 222 CO 0.81 -1.69 1.62 0.21 -0.17 0.00 0.00 175.17 175.96 1xy3 s ASN 223 N 5.79 5.80 0.26 -0.34 3.84 -1.26 -4.86 114.94 124.17 1xy3 s ASN 223 Ca 0.76 -0.61 -0.08 0.00 0.21 0.00 0.00 52.86 53.14 1xy3 s ASN 223 Cb -0.21 -2.56 -0.07 0.00 -0.55 0.00 0.00 41.25 37.87 1xy3 s ASN 223 CO 0.33 -2.09 0.56 -0.55 -2.79 0.00 0.00 177.10 172.56 1xy3 s SER 224 N 6.13 6.57 0.00 -4.21 0.15 -1.13 -4.97 113.70 116.23 1xy3 s SER 224 Ca 0.54 0.87 0.00 0.00 0.70 0.00 0.00 55.95 58.06 1xy3 s SER 224 Cb -0.06 -2.21 0.00 0.00 -1.71 0.00 0.00 66.02 62.04 1xy3 s SER 224 CO 0.05 -0.13 0.26 0.00 1.20 0.00 0.00 173.24 174.62 1xy3 n ALA 225 N -0.43 1.77 -3.62 5.45 0.00 -1.25 0.34 120.51 122.77 1xy3 n ALA 225 Ca -0.00 -0.26 -0.04 0.00 0.00 0.00 0.00 53.44 53.14 1xy3 n ALA 225 Cb 0.53 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.92 1xy3 n ALA 225 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1xy3 s SER 226 N -0.24 -0.88 0.22 0.00 1.04 -1.25 -4.34 113.70 108.24 1xy3 s SER 226 Ca 0.00 1.34 -0.09 0.00 0.48 0.00 0.00 55.95 57.68 1xy3 s SER 226 Cb 0.00 1.59 0.18 0.00 0.10 0.00 0.00 66.02 67.89 1xy3 s SER 226 CO 0.00 -0.20 1.89 0.58 0.98 0.00 0.00 173.24 176.49 1xy3 h VAL 227 N 5.27 1.20 -0.62 5.02 2.07 -1.95 -2.67 116.25 124.58 1xy3 h VAL 227 Ca -0.26 -0.37 0.13 0.00 0.82 0.00 0.00 66.70 67.02 1xy3 h VAL 227 Cb 1.18 0.02 -0.11 0.00 -1.52 0.00 0.00 31.29 30.86 1xy3 h VAL 227 CO 0.15 0.20 -0.10 1.56 0.02 0.00 0.00 177.57 179.40 1xy3 h GLN 228 N 1.08 0.04 -0.78 1.57 7.50 -1.99 0.71 115.11 123.24 1xy3 h GLN 228 Ca 0.30 -0.00 -0.04 0.00 0.50 0.00 0.00 58.65 59.41 1xy3 h GLN 228 Cb -0.12 -0.01 -0.04 0.00 0.05 0.00 0.00 27.48 27.37 1xy3 h GLN 228 CO -0.07 0.03 0.33 0.00 -1.50 0.00 0.00 178.83 177.62 1xy3 h ALA 229 N 1.60 1.13 -0.38 3.87 0.00 -1.91 -1.58 119.26 121.98 1xy3 h ALA 229 Ca 0.31 -0.18 -0.05 0.00 0.00 0.00 0.00 54.91 54.99 1xy3 h ALA 229 Cb 0.48 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1xy3 h ALA 229 CO -0.60 0.64 0.06 1.15 0.00 0.00 0.00 179.25 180.50 1xy3 h THR 230 N 1.12 1.24 -0.16 0.00 2.02 -0.64 -2.34 112.91 114.15 1xy3 h THR 230 Ca 0.26 -0.86 -0.12 0.00 0.77 0.00 0.00 66.41 66.46 1xy3 h THR 230 Cb 0.17 1.06 -0.01 0.00 -1.74 0.00 0.00 68.15 67.63 1xy3 h THR 230 CO -0.03 0.29 -0.43 0.00 0.37 0.00 0.00 175.52 175.73 1xy3 h MET 231 N 0.48 0.38 -0.55 6.66 -0.00 -0.94 -2.56 114.93 118.40 1xy3 h MET 231 Ca 0.12 -0.19 -0.02 0.00 -0.00 0.00 0.00 59.70 59.60 1xy3 h MET 231 Cb 0.37 0.00 -0.03 0.00 -0.00 0.00 0.00 31.60 31.95 1xy3 h MET 231 CO 0.01 0.74 0.25 -0.92 -0.00 0.00 0.00 176.91 176.99 1xy3 h TYR 232 N 0.31 0.77 -0.63 -0.10 3.20 -1.16 -0.33 116.97 119.02 1xy3 h TYR 232 Ca 0.02 -0.03 -0.08 0.00 3.14 0.00 0.00 58.73 61.79 1xy3 h TYR 232 Cb 0.89 -0.24 -0.03 0.00 1.54 0.00 0.00 36.73 38.89 1xy3 h TYR 232 CO 0.02 0.58 0.07 0.87 -1.64 0.00 0.00 178.16 178.07 1xy3 h LYS 233 N 0.77 1.06 -0.25 1.82 1.57 -1.06 -1.29 116.57 119.20 1xy3 h LYS 233 Ca 0.19 -0.29 -0.03 0.00 -1.87 0.00 0.00 60.65 58.65 1xy3 h LYS 233 Cb 0.11 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.29 1xy3 h LYS 233 CO -0.02 0.99 0.06 0.52 -0.57 0.00 0.00 179.45 180.42 1xy3 h MET 234 N 0.99 0.40 0.16 3.15 2.86 -0.86 -2.80 114.93 118.82 1xy3 h MET 234 Ca 0.19 -0.10 0.01 0.00 -2.06 0.00 0.00 59.70 57.74 1xy3 h MET 234 Cb 0.46 -0.05 -0.02 0.00 0.06 0.00 0.00 31.60 32.05 1xy3 h MET 234 CO 0.02 0.51 -0.19 0.00 1.06 0.00 0.00 176.91 178.31 1xy3 h ALA 235 N 0.87 -0.35 -0.60 6.32 0.00 -0.92 -2.93 119.26 121.65 1xy3 h ALA 235 Ca 0.08 -0.05 0.10 0.00 0.00 0.00 0.00 54.91 55.04 1xy3 h ALA 235 Cb 0.29 0.28 -0.11 0.00 0.00 0.00 0.00 17.79 18.25 1xy3 h ALA 235 CO 0.00 -0.73 -0.38 0.93 0.00 0.00 0.00 179.25 179.08 1xy3 h GLU 236 N -0.39 -0.18 -0.75 0.00 5.08 -1.16 -1.49 114.58 115.69 1xy3 h GLU 236 Ca 0.01 0.01 0.06 0.00 -1.00 0.00 0.00 59.36 58.44 1xy3 h GLU 236 Cb 0.38 0.04 -0.06 0.00 0.50 0.00 0.00 28.75 29.61 1xy3 h GLU 236 CO -0.07 -0.12 0.44 1.96 -1.00 0.00 0.00 179.01 180.23 1xy3 h GLN 237 N -0.18 0.79 0.20 2.33 4.20 -1.42 -2.51 115.11 118.52 1xy3 h GLN 237 Ca 0.22 -0.05 -0.01 0.00 0.06 0.00 0.00 58.65 58.87 1xy3 h GLN 237 Cb 0.56 -0.18 0.00 0.00 0.30 0.00 0.00 27.48 28.16 1xy3 h GLN 237 CO -0.69 0.52 -0.10 0.82 -0.67 0.00 0.00 178.83 178.71 1xy3 h ILE 238 N 0.81 0.80 -0.12 2.54 2.04 -1.11 -1.35 117.51 121.12 1xy3 h ILE 238 Ca 0.33 -0.02 0.03 0.00 1.00 0.00 0.00 64.86 66.21 1xy3 h ILE 238 Cb 0.18 0.81 -0.00 0.00 -0.74 0.00 0.00 36.82 37.07 1xy3 h ILE 238 CO -0.18 0.00 0.13 -0.07 0.00 0.00 0.00 178.15 178.03 1xy3 h LEU 239 N -0.28 0.00 0.05 1.44 3.38 -1.16 -1.41 115.31 117.33 1xy3 h LEU 239 Ca -0.03 0.00 -0.25 0.00 0.09 0.00 0.00 57.88 57.69 1xy3 h LEU 239 Cb 0.22 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.95 1xy3 h LEU 239 CO 0.05 0.00 -1.22 0.00 0.09 0.00 0.00 178.44 177.36 1xy3 h ALA 240 N 1.86 0.32 0.00 1.53 0.00 -0.96 -3.33 119.26 118.67 1xy3 h ALA 240 Ca 0.06 -0.99 -0.07 0.00 0.00 0.00 0.00 54.91 53.90 1xy3 h ALA 240 Cb 0.31 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 1xy3 h ALA 240 CO -0.00 1.20 -0.52 0.00 0.00 0.00 0.00 179.25 179.92 1xy3 h ARG 241 N 0.03 0.00 -3.92 0.00 3.08 -0.23 -3.44 114.38 109.90 1xy3 h ARG 241 Ca -0.11 0.00 -0.52 0.00 0.07 0.00 0.00 59.98 59.42 1xy3 h ARG 241 Cb 1.89 0.00 -0.38 0.00 0.08 0.00 0.00 29.97 31.55 1xy3 h ARG 241 CO 0.15 0.27 -0.78 -1.14 -1.07 0.00 0.00 179.97 177.40 1xy3 s GLN 242 N -3.08 1.08 0.21 0.04 2.00 -0.75 -5.01 119.66 114.15 1xy3 s GLN 242 Ca 0.04 -0.36 -0.01 0.00 -2.00 0.00 0.00 55.36 53.03 1xy3 s GLN 242 Cb 0.07 -1.81 0.18 0.00 0.80 0.00 0.00 33.01 32.26 1xy3 s GLN 242 CO 0.74 -0.45 1.55 0.37 -0.50 0.00 0.00 175.29 177.00 1xy3 h GLN 243 N 8.19 0.50 0.00 1.67 5.75 -1.85 -3.14 115.11 126.23 1xy3 h GLN 243 Ca -0.21 -0.29 0.00 0.00 -0.15 0.00 0.00 58.65 57.99 1xy3 h GLN 243 Cb 1.12 0.02 0.00 0.00 1.07 0.00 0.00 27.48 29.69 1xy3 h GLN 243 CO 0.36 0.89 0.00 1.28 -2.65 0.00 0.00 178.83 178.70 1xy3 n LEU 244 N -3.98 0.45 -4.73 -2.39 7.99 -1.26 -4.68 117.00 108.41 1xy3 n LEU 244 Ca -0.02 0.65 -0.41 0.00 -0.01 0.00 0.00 56.01 56.22 1xy3 n LEU 244 Cb 0.57 -0.64 -0.04 0.00 -0.11 0.00 0.00 43.42 43.19 1xy3 n LEU 244 CO 0.46 -0.64 0.54 -0.63 -1.51 0.00 0.00 177.39 175.61 1xy3 s ILE 245 N -3.31 4.79 -0.22 -0.08 -1.09 -1.19 -1.18 121.20 118.94 1xy3 s ILE 245 Ca 0.02 1.78 -0.10 0.00 -2.23 0.00 0.00 60.65 60.12 1xy3 s ILE 245 Cb 0.07 -4.19 -0.19 0.00 -1.58 0.00 0.00 42.46 36.58 1xy3 s ILE 245 CO 0.26 0.28 -0.01 -0.62 -1.23 0.00 0.00 174.94 173.62 1xy3 n GLU 246 N 3.29 0.64 -4.05 2.79 1.02 0.06 -4.88 120.64 119.51 1xy3 n GLU 246 Ca 0.01 0.31 -0.08 0.00 -0.02 0.00 0.00 57.16 57.38 1xy3 n GLU 246 Cb 0.50 -1.61 -0.10 0.00 -0.02 0.00 0.00 31.44 30.21 1xy3 n GLU 246 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 1xy3 s THR 247 N -2.49 0.20 -0.07 2.62 -4.23 -1.20 -4.07 115.64 106.40 1xy3 s THR 247 Ca -0.31 -1.44 0.02 0.00 -1.18 0.00 0.00 61.69 58.78 1xy3 s THR 247 Cb 0.09 -1.00 0.02 0.00 1.34 0.00 0.00 72.50 72.95 1xy3 s THR 247 CO 0.61 -0.78 -0.11 -0.69 -0.54 0.00 0.00 174.62 173.11 1xy3 s VAL 248 N -2.87 1.06 -0.04 2.29 1.01 -0.58 -1.35 120.40 119.92 1xy3 s VAL 248 Ca -0.02 -0.42 0.06 0.00 0.00 0.00 0.00 61.98 61.60 1xy3 s VAL 248 Cb 0.00 -0.99 -0.01 0.00 0.00 0.00 0.00 36.38 35.38 1xy3 s VAL 248 CO -0.06 0.34 -0.23 -0.70 0.00 0.00 0.00 175.10 174.46 1xy3 s GLU 249 N 0.84 2.19 0.13 2.72 2.12 0.51 -0.25 118.70 126.96 1xy3 s GLU 249 Ca -0.11 -0.82 0.09 0.00 0.36 0.00 0.00 54.97 54.49 1xy3 s GLU 249 Cb -0.15 -1.93 -0.04 0.00 0.26 0.00 0.00 34.13 32.27 1xy3 s GLU 249 CO 0.02 0.39 -0.22 0.71 -0.54 0.00 0.00 175.26 175.62 1xy3 s TYR 250 N -0.23 1.92 -0.26 5.30 2.02 -0.84 -0.74 117.35 124.52 1xy3 s TYR 250 Ca 0.00 -0.42 -0.02 0.00 -0.37 0.00 0.00 57.07 56.26 1xy3 s TYR 250 Cb -0.12 -1.02 0.11 0.00 -0.40 0.00 0.00 41.96 40.53 1xy3 s TYR 250 CO 0.02 0.28 0.24 0.45 -1.57 0.00 0.00 175.55 174.96 1xy3 s SER 251 N -2.15 1.96 -0.32 2.29 0.15 -0.64 -2.68 113.70 112.31 1xy3 s SER 251 Ca 0.11 -0.69 -0.09 0.00 0.70 0.00 0.00 55.95 55.98 1xy3 s SER 251 Cb -0.09 0.29 0.01 0.00 -1.71 0.00 0.00 66.02 64.52 1xy3 s SER 251 CO 0.05 -0.38 0.14 -0.76 1.20 0.00 0.00 173.24 173.50 1xy3 s LEU 252 N 2.30 4.17 -0.69 3.45 2.01 0.70 -3.19 118.68 127.43 1xy3 s LEU 252 Ca 0.08 -0.70 -0.19 0.00 0.01 0.00 0.00 54.13 53.34 1xy3 s LEU 252 Cb -0.15 -1.97 0.12 0.00 0.01 0.00 0.00 46.19 44.20 1xy3 s LEU 252 CO -0.27 -0.24 0.82 -2.84 1.01 0.00 0.00 176.35 174.83 1xy3 s PRO 253 N 1.56 3.21 -0.26 1.29 0.02 -1.24 -1.36 135.00 138.22 1xy3 s PRO 253 Ca 0.03 -1.48 -0.29 0.00 0.02 0.00 0.00 61.00 59.28 1xy3 s PRO 253 Cb -0.18 -4.40 -0.01 0.00 0.02 0.00 0.00 34.50 29.94 1xy3 s PRO 253 CO 0.05 -1.59 1.34 -0.80 -0.33 0.00 0.00 177.00 175.67 1xy3 s ASN 254 N 3.47 6.69 -0.11 2.53 0.01 -0.28 -3.09 114.94 124.15 1xy3 s ASN 254 Ca 0.17 1.38 -0.26 0.00 -0.71 0.00 0.00 52.86 53.44 1xy3 s ASN 254 Cb -0.18 -2.54 -0.02 0.00 0.41 0.00 0.00 41.25 38.92 1xy3 s ASN 254 CO 0.02 -1.03 0.84 -0.54 -1.51 0.00 0.00 177.10 174.88 1xy3 s LYS 255 N 4.09 4.38 0.02 -0.60 1.02 -0.66 -3.04 119.74 124.95 1xy3 s LYS 255 Ca 0.58 1.07 -0.17 0.00 0.02 0.00 0.00 55.97 57.47 1xy3 s LYS 255 Cb -0.19 -3.52 -0.06 0.00 -0.52 0.00 0.00 37.83 33.54 1xy3 s LYS 255 CO 0.22 -0.19 0.50 -1.01 -0.92 0.00 0.00 175.35 173.95 1xy3 s HIS 256 N 1.64 3.74 -0.30 3.18 3.76 -1.26 -3.99 115.29 122.06 1xy3 s HIS 256 Ca 0.41 1.12 0.03 0.00 -0.15 0.00 0.00 55.06 56.47 1xy3 s HIS 256 Cb -0.18 -2.42 0.09 0.00 1.11 0.00 0.00 32.58 31.18 1xy3 s HIS 256 CO 0.16 0.57 0.01 0.71 -0.85 0.00 0.00 174.74 175.34 1xy3 s TYR 257 N -0.90 3.13 0.52 1.40 1.51 -1.26 -0.82 117.35 120.93 1xy3 s TYR 257 Ca 0.27 -2.48 -0.17 0.00 -1.01 0.00 0.00 57.07 53.67 1xy3 s TYR 257 Cb -0.18 -2.34 -0.07 0.00 -0.11 0.00 0.00 41.96 39.26 1xy3 s TYR 257 CO 0.16 -0.90 1.00 -0.06 -1.11 0.00 0.00 175.55 174.64 1xy3 s PHE 258 N 1.13 3.30 0.27 2.71 0.40 -0.84 -4.81 117.98 120.13 1xy3 s PHE 258 Ca 0.05 1.50 -0.19 0.00 -0.60 0.00 0.00 56.93 57.68 1xy3 s PHE 258 Cb -0.19 -2.87 -0.09 0.00 0.51 0.00 0.00 43.02 40.39 1xy3 s PHE 258 CO -0.10 -0.55 0.76 -1.21 0.70 0.00 0.00 175.22 174.83 1xy3 s GLU 259 N -3.93 4.23 -0.33 0.44 2.02 -1.26 -1.07 118.70 118.80 1xy3 s GLU 259 Ca 0.61 0.89 -0.06 0.00 0.02 0.00 0.00 54.97 56.42 1xy3 s GLU 259 Cb -0.12 -2.73 0.04 0.00 0.10 0.00 0.00 34.13 31.42 1xy3 s GLU 259 CO 0.30 0.30 0.09 0.42 0.02 0.00 0.00 175.26 176.40 1xy3 s ILE 260 N -1.68 3.74 -0.17 -1.63 1.01 -1.24 -4.86 121.20 116.37 1xy3 s ILE 260 Ca 0.47 -1.10 -0.29 0.00 0.00 0.00 0.00 60.65 59.74 1xy3 s ILE 260 Cb -0.15 -3.09 -0.03 0.00 0.01 0.00 0.00 42.46 39.20 1xy3 s ILE 260 CO 0.20 -0.14 1.54 -0.62 0.00 0.00 0.00 174.94 175.92 1xy3 s ASP 261 N 1.40 6.58 0.00 3.58 -1.08 -1.26 -4.62 116.67 121.26 1xy3 s ASP 261 Ca -0.01 1.77 0.02 0.00 -0.52 0.00 0.00 52.55 53.81 1xy3 s ASP 261 Cb -0.19 -2.53 0.02 0.00 -1.46 0.00 0.00 42.92 38.76 1xy3 s ASP 261 CO 0.02 -1.07 0.68 0.18 0.52 0.00 0.00 175.17 175.51 1xy3 n LEU 262 N 7.71 1.41 -0.19 -1.34 4.77 -1.26 -4.72 117.00 123.38 1xy3 n LEU 262 Ca 0.17 -1.27 0.18 0.00 -0.03 0.00 0.00 56.01 55.06 1xy3 n LEU 262 Cb 0.45 -0.01 0.53 0.00 -2.33 0.00 0.00 43.42 42.06 1xy3 n LEU 262 CO 0.62 0.34 1.22 0.77 -1.33 0.00 0.00 177.39 179.01 1xy3 h SER 263 N 0.32 0.35 0.00 -1.43 4.64 -1.52 -0.01 113.55 115.89 1xy3 h SER 263 Ca 0.00 0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.35 1xy3 h SER 263 Cb 0.20 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 62.25 1xy3 h SER 263 CO 0.00 0.16 0.10 -2.67 -0.87 0.00 0.00 176.83 173.55 1xy3 n TRP 264 N -4.47 0.46 -3.88 4.77 4.27 -1.26 -1.19 117.44 116.14 1xy3 n TRP 264 Ca 0.16 0.24 -0.33 0.00 -3.89 0.00 0.00 57.50 53.68 1xy3 n TRP 264 Cb 0.63 -0.81 -0.13 0.00 -1.36 0.00 0.00 31.31 29.64 1xy3 n TRP 264 CO 0.00 0.00 0.00 -1.58 -2.29 0.00 0.00 177.69 173.82 1xy3 s HIS 265 N -3.30 3.52 -1.51 -2.67 5.04 -0.02 -4.71 115.29 111.64 1xy3 s HIS 265 Ca -0.02 -2.83 -0.06 0.00 -1.54 0.00 0.00 55.06 50.61 1xy3 s HIS 265 Cb 0.04 -3.04 0.01 0.00 0.04 0.00 0.00 32.58 29.63 1xy3 s HIS 265 CO 0.12 -0.89 0.78 1.63 -2.34 0.00 0.00 174.74 174.04 1xy3 n LYS 266 N 3.95 -5.76 -2.86 2.88 5.02 -1.25 -2.06 118.16 118.08 1xy3 n LYS 266 Ca 0.03 0.88 -0.15 0.00 -2.02 0.00 0.00 58.31 57.05 1xy3 n LYS 266 Cb 0.39 -5.80 -0.01 0.00 -0.02 0.00 0.00 35.03 29.59 1xy3 n LYS 266 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1xy3 n GLY 267 N -1.66 -0.49 3.72 0.72 0.00 -0.33 -4.86 105.19 102.28 1xy3 n GLY 267 Ca -0.08 0.04 -0.43 0.00 0.00 0.00 0.00 46.02 45.55 1xy3 n GLY 267 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1xy3 n LEU 268 N -3.15 3.92 -4.41 0.99 7.94 -0.88 -4.79 117.00 116.62 1xy3 n LEU 268 Ca -0.07 1.13 -0.42 0.00 -1.11 0.00 0.00 56.01 55.54 1xy3 n LEU 268 Cb 0.56 -1.54 -0.11 0.00 0.53 0.00 0.00 43.42 42.87 1xy3 n LEU 268 CO 0.30 -0.02 -0.12 -1.10 -1.11 0.00 0.00 177.39 175.34 1xy3 s GLN 269 N -0.10 2.88 -0.00 1.96 -1.52 -1.26 -1.36 119.66 120.26 1xy3 s GLN 269 Ca 0.68 -1.07 0.00 0.00 -1.95 0.00 0.00 55.36 53.02 1xy3 s GLN 269 Cb -0.55 -3.85 0.00 0.00 -0.22 0.00 0.00 33.01 28.40 1xy3 s GLN 269 CO 0.45 -0.73 0.68 -1.71 -0.25 0.00 0.00 175.29 173.73 1xy3 n ASN 270 N 5.07 0.70 -4.67 5.90 5.15 -1.26 -4.73 115.26 121.43 1xy3 n ASN 270 Ca -0.11 -1.37 -0.23 0.00 -0.60 0.00 0.00 54.58 52.27 1xy3 n ASN 270 Cb 0.46 -0.00 -0.07 0.00 -0.53 0.00 0.00 39.78 39.64 1xy3 n ASN 270 CO 0.00 0.00 0.00 0.42 1.40 0.00 0.00 177.26 179.08 1xy3 s THR 271 N -0.36 3.61 0.00 -0.44 -4.23 -1.26 -3.08 115.64 109.88 1xy3 s THR 271 Ca 0.00 -1.80 0.00 0.00 -1.18 0.00 0.00 61.69 58.71 1xy3 s THR 271 Cb 0.00 -2.92 0.00 0.00 1.34 0.00 0.00 72.50 70.92 1xy3 s THR 271 CO 0.00 -0.35 0.00 0.61 -0.54 0.00 0.00 174.62 174.34 1xy3 n GLY 272 N -0.87 3.94 0.29 3.99 0.00 -1.26 -1.76 105.19 109.53 1xy3 n GLY 272 Ca -0.07 0.02 0.13 0.00 0.00 0.00 0.00 46.02 46.10 1xy3 n GLY 272 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1xy3 h LYS 273 N 0.00 0.00 -0.03 1.61 3.64 -1.99 -2.24 116.57 117.56 1xy3 h LYS 273 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1xy3 h LYS 273 Cb 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.82 1xy3 h LYS 273 CO 0.00 0.01 0.00 0.09 -2.27 0.00 0.00 179.45 177.28 1xy3 n ASN 274 N -4.04 2.02 -4.67 4.20 4.13 -0.72 -4.95 115.26 111.24 1xy3 n ASN 274 Ca -0.03 -1.68 -0.42 0.00 1.68 0.00 0.00 54.58 54.13 1xy3 n ASN 274 Cb 0.09 -0.01 -0.03 0.00 -1.54 0.00 0.00 39.78 38.29 1xy3 n ASN 274 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1xy3 s ALA 275 N -1.98 3.62 0.00 5.41 0.00 -0.84 -4.30 121.76 123.67 1xy3 s ALA 275 Ca 0.35 1.23 0.00 0.00 0.00 0.00 0.00 51.96 53.54 1xy3 s ALA 275 Cb 0.21 -3.80 0.00 0.00 0.00 0.00 0.00 23.12 19.53 1xy3 s ALA 275 CO 0.32 -1.44 0.00 0.39 0.00 0.00 0.00 175.76 175.03 1xy3 n GLU 276 N 7.02 0.00 -3.90 0.00 1.02 -1.26 -4.98 120.64 118.54 1xy3 n GLU 276 Ca 0.19 0.00 -0.35 0.00 -0.02 0.00 0.00 57.16 56.97 1xy3 n GLU 276 Cb 0.41 -0.76 -0.13 0.00 -0.02 0.00 0.00 31.44 30.94 1xy3 n GLU 276 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1xy3 s VAL 277 N -1.77 3.84 0.35 2.62 1.01 -1.26 -5.11 120.40 120.08 1xy3 s VAL 277 Ca 0.00 -0.34 0.09 0.00 0.00 0.00 0.00 61.98 61.73 1xy3 s VAL 277 Cb 0.00 -2.76 -0.05 0.00 0.00 0.00 0.00 36.38 33.56 1xy3 s VAL 277 CO 0.00 0.39 0.04 -0.36 0.00 0.00 0.00 175.10 175.18 1xy3 s PHE 278 N 1.41 2.57 -0.33 5.22 0.40 -1.26 -3.71 117.98 122.28 1xy3 s PHE 278 Ca 0.05 -0.46 -0.00 0.00 -0.60 0.00 0.00 56.93 55.92 1xy3 s PHE 278 Cb -0.15 -1.57 0.08 0.00 0.51 0.00 0.00 43.02 41.89 1xy3 s PHE 278 CO 0.00 0.43 0.05 0.00 0.70 0.00 0.00 175.22 176.40 1xy3 s ALA 279 N -2.52 2.88 0.26 5.36 0.00 -0.23 -4.96 121.76 122.55 1xy3 s ALA 279 Ca 0.36 -2.11 -0.30 0.00 0.00 0.00 0.00 51.96 49.90 1xy3 s ALA 279 Cb 0.01 -2.01 -0.11 0.00 0.00 0.00 0.00 23.12 21.01 1xy3 s ALA 279 CO 0.20 -1.48 1.52 -2.14 0.00 0.00 0.00 175.76 173.86 1xy3 s PRO 280 N 1.13 4.20 -0.20 0.00 0.02 -1.26 -1.98 135.00 136.90 1xy3 s PRO 280 Ca 0.01 2.43 -0.09 0.00 0.02 0.00 0.00 61.00 63.37 1xy3 s PRO 280 Cb -0.20 -3.08 -0.05 0.00 0.02 0.00 0.00 34.50 31.19 1xy3 s PRO 280 CO -0.04 -0.53 0.10 -0.65 -0.33 0.00 0.00 177.00 175.55 1xy3 s GLN 281 N -0.23 4.05 0.12 5.54 -1.52 -0.00 -4.94 119.66 122.68 1xy3 s GLN 281 Ca 0.62 -0.29 0.05 0.00 -1.95 0.00 0.00 55.36 53.79 1xy3 s GLN 281 Cb -0.45 -3.35 -0.19 0.00 -0.22 0.00 0.00 33.01 28.80 1xy3 s GLN 281 CO 0.44 0.22 1.27 0.77 -0.25 0.00 0.00 175.29 177.74 1xy3 h SER 282 N 6.91 0.09 -4.93 5.90 0.02 -1.94 -3.38 113.55 116.22 1xy3 h SER 282 Ca -0.39 -0.10 -0.01 0.00 -0.84 0.00 0.00 61.79 60.46 1xy3 h SER 282 Cb 1.16 -0.03 -0.14 0.00 0.14 0.00 0.00 62.40 63.53 1xy3 h SER 282 CO 0.71 1.05 0.25 1.51 -1.14 0.00 0.00 176.83 179.22 1xy3 s ASP 283 N -6.81 -0.55 0.59 3.07 1.47 -1.26 -4.80 116.67 108.37 1xy3 s ASP 283 Ca -0.00 0.15 0.00 0.00 1.18 0.00 0.00 52.55 53.88 1xy3 s ASP 283 Cb 0.10 0.55 0.00 0.00 -0.34 0.00 0.00 42.92 43.23 1xy3 s ASP 283 CO 0.83 -0.84 0.00 -0.81 0.68 0.00 0.00 175.17 175.04 1xy3 n PRO 284 N -0.08 0.45 -3.76 2.11 -0.04 -1.26 -5.11 135.00 127.30 1xy3 n PRO 284 Ca -0.16 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.18 1xy3 n PRO 284 Cb 0.63 0.00 -0.08 0.00 -0.04 0.00 0.00 33.50 34.01 1xy3 n PRO 284 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1xy3 s ASN 285 N -1.00 -0.13 0.39 3.54 4.22 -1.26 -4.72 114.94 115.98 1xy3 s ASN 285 Ca 0.00 -0.15 -0.20 0.00 -2.14 0.00 0.00 52.86 50.37 1xy3 s ASN 285 Cb 0.00 0.34 -0.10 0.00 1.28 0.00 0.00 41.25 42.77 1xy3 s ASN 285 CO 0.00 -0.58 0.90 -0.83 -2.04 0.00 0.00 177.10 174.55 1xy3 s GLY 286 N -1.91 2.43 -0.13 0.45 0.00 -1.17 -4.91 107.32 102.08 1xy3 s GLY 286 Ca -0.07 0.33 -0.01 0.00 0.00 0.00 0.00 44.72 44.98 1xy3 s GLY 286 CO -0.02 0.62 -0.05 -2.27 0.00 0.00 0.00 173.10 171.38 1xy3 s LEU 287 N -2.97 1.20 -0.09 0.66 2.96 -1.26 -1.13 118.68 118.05 1xy3 s LEU 287 Ca 0.58 -0.40 0.05 0.00 -0.22 0.00 0.00 54.13 54.14 1xy3 s LEU 287 Cb -0.11 -0.77 -0.00 0.00 0.50 0.00 0.00 46.19 45.81 1xy3 s LEU 287 CO 0.15 -0.16 -0.24 -0.63 -1.32 0.00 0.00 176.35 174.15 1xy3 s ILE 288 N 1.74 2.04 0.09 6.68 1.09 -0.47 -4.99 121.20 127.39 1xy3 s ILE 288 Ca 0.03 -1.02 0.02 0.00 -1.10 0.00 0.00 60.65 58.58 1xy3 s ILE 288 Cb -0.14 -1.75 -0.04 0.00 -1.06 0.00 0.00 42.46 39.47 1xy3 s ILE 288 CO -0.08 0.56 -0.07 -0.54 -0.10 0.00 0.00 174.94 174.71 1xy3 s LYS 289 N 0.20 0.81 -0.30 2.79 1.02 -1.26 -0.21 119.74 122.79 1xy3 s LYS 289 Ca -0.14 -1.24 -0.23 0.00 0.02 0.00 0.00 55.97 54.38 1xy3 s LYS 289 Cb -0.17 -0.29 0.18 0.00 -0.52 0.00 0.00 37.83 37.04 1xy3 s LYS 289 CO 0.07 0.01 1.34 0.00 -0.92 0.00 0.00 175.35 175.85 1xy3 s THR 291 N 0.28 3.62 -0.20 0.00 2.01 -1.26 -1.99 115.64 118.10 1xy3 s THR 291 Ca 0.04 -0.44 -0.01 0.00 0.31 0.00 0.00 61.69 61.58 1xy3 s THR 291 Cb -0.04 -2.59 0.01 0.00 0.01 0.00 0.00 72.50 69.89 1xy3 s THR 291 CO -0.13 0.48 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.45 1xy3 s VAL 292 N 0.62 2.56 0.00 3.82 1.01 0.66 -4.97 120.40 124.11 1xy3 s VAL 292 Ca -0.03 -0.80 0.00 0.00 0.00 0.00 0.00 61.98 61.14 1xy3 s VAL 292 Cb -0.15 -2.14 0.00 0.00 0.00 0.00 0.00 36.38 34.10 1xy3 s VAL 292 CO 0.03 0.47 0.00 0.61 0.00 0.00 0.00 175.10 176.21 1xy3 n GLY 293 N 4.68 3.67 3.77 4.51 0.00 -1.26 -1.53 105.19 119.03 1xy3 n GLY 293 Ca -0.20 -2.07 -0.30 0.00 0.00 0.00 0.00 46.02 43.45 1xy3 n GLY 293 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1xy3 s ARG 294 N 1.01 2.87 0.00 1.61 0.52 -1.26 -5.00 118.95 118.71 1xy3 s ARG 294 Ca 0.00 -0.69 0.13 0.00 -0.52 0.00 0.00 55.73 54.65 1xy3 s ARG 294 Cb 0.00 -2.72 0.77 0.00 0.52 0.00 0.00 34.95 33.51 1xy3 s ARG 294 CO 0.00 0.57 1.19 0.43 0.02 0.00 0.00 175.30 177.51