#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2x5a s VAL 2 N 0.00 3.67 0.20 0.00 1.01 -1.26 -4.48 120.40 119.55 2x5a s VAL 2 Ca 0.00 0.54 -0.30 0.00 0.00 0.00 0.00 61.98 62.22 2x5a s VAL 2 Cb 0.00 -3.53 -0.08 0.00 0.00 0.00 0.00 36.38 32.77 2x5a s VAL 2 CO 0.00 -0.71 1.23 -0.60 0.00 0.00 0.00 175.10 175.02 2x5a s ARG 3 N -5.33 4.46 -0.21 2.72 3.00 -1.26 -4.76 118.95 117.58 2x5a s ARG 3 Ca 0.58 1.95 -0.00 0.00 -1.00 0.00 0.00 55.73 57.25 2x5a s ARG 3 Cb -0.11 -3.21 0.02 0.00 0.00 0.00 0.00 34.95 31.65 2x5a s ARG 3 CO 0.52 -0.13 -0.14 -0.65 0.00 0.00 0.00 175.30 174.91 2x5a s GLN 4 N -0.35 2.93 -0.14 5.12 -1.52 -0.04 -4.98 119.66 120.68 2x5a s GLN 4 Ca 0.53 -0.89 -0.07 0.00 -1.95 0.00 0.00 55.36 52.99 2x5a s GLN 4 Cb -0.34 -2.76 -0.04 0.00 -0.22 0.00 0.00 33.01 29.65 2x5a s GLN 4 CO 0.38 -0.29 0.11 0.71 -0.25 0.00 0.00 175.29 175.95 2x5a s TYR 5 N 1.30 3.45 -0.02 0.91 2.02 -1.26 -1.98 117.35 121.78 2x5a s TYR 5 Ca 0.03 0.38 0.00 0.00 -0.37 0.00 0.00 57.07 57.10 2x5a s TYR 5 Cb -0.15 -1.99 0.02 0.00 -0.40 0.00 0.00 41.96 39.44 2x5a s TYR 5 CO -0.09 0.52 0.01 0.15 -1.57 0.00 0.00 175.55 174.57 2x5a s LYS 6 N -0.51 0.11 -0.20 -0.62 1.02 -1.11 -2.90 119.74 115.53 2x5a s LYS 6 Ca 0.12 0.07 -0.08 0.00 0.02 0.00 0.00 55.97 56.09 2x5a s LYS 6 Cb -0.12 -0.26 -0.04 0.00 -0.52 0.00 0.00 37.83 36.89 2x5a s LYS 6 CO 0.02 -0.09 0.09 0.42 -0.92 0.00 0.00 175.35 174.87 2x5a s ILE 7 N 0.64 4.94 -0.06 2.17 -1.09 -0.17 -0.51 121.20 127.12 2x5a s ILE 7 Ca -0.06 0.02 0.06 0.00 -2.23 0.00 0.00 60.65 58.44 2x5a s ILE 7 Cb -0.09 -3.25 -0.01 0.00 -1.58 0.00 0.00 42.46 37.54 2x5a s ILE 7 CO -0.02 0.43 -0.25 -1.00 -1.23 0.00 0.00 174.94 172.88 2x5a s HIS 8 N 0.59 2.44 -0.05 3.97 3.76 0.67 -0.21 115.29 126.47 2x5a s HIS 8 Ca 0.05 -0.78 -0.18 0.00 -0.15 0.00 0.00 55.06 54.00 2x5a s HIS 8 Cb -0.13 -1.61 -0.12 0.00 1.11 0.00 0.00 32.58 31.83 2x5a s HIS 8 CO 0.01 -0.25 0.74 1.79 -0.85 0.00 0.00 174.74 176.18 2x5a h THR 9 N 5.19 0.51 -2.38 1.30 1.35 -1.80 -1.93 112.91 115.14 2x5a h THR 9 Ca -0.29 -0.94 -0.59 0.00 -0.55 0.00 0.00 66.41 64.03 2x5a h THR 9 Cb 1.19 0.87 -0.40 0.00 -1.73 0.00 0.00 68.15 68.07 2x5a h THR 9 CO 0.47 0.13 -0.86 -3.20 -0.25 0.00 0.00 175.52 171.82 2x5a n ASN 10 N -4.99 1.24 -4.76 5.36 5.15 -1.26 -4.65 115.26 111.36 2x5a n ASN 10 Ca -0.07 -2.84 -0.41 0.00 -0.60 0.00 0.00 54.58 50.66 2x5a n ASN 10 Cb 0.23 -0.64 -0.02 0.00 -0.53 0.00 0.00 39.78 38.83 2x5a n ASN 10 CO 0.00 0.00 0.00 -0.22 1.40 0.00 0.00 177.26 178.44 2x5a s LEU 11 N -1.09 4.37 -0.06 1.20 1.98 -1.26 -1.35 118.68 122.47 2x5a s LEU 11 Ca 0.33 2.81 0.00 0.00 -2.89 0.00 0.00 54.13 54.38 2x5a s LEU 11 Cb 0.08 -3.64 0.00 0.00 0.66 0.00 0.00 46.19 43.29 2x5a s LEU 11 CO -0.13 -0.75 0.00 -0.90 -1.89 0.00 0.00 176.35 172.68 2x5a n ASP 12 N 1.61 -3.17 -4.29 3.68 3.85 -1.26 -5.03 116.55 111.95 2x5a n ASP 12 Ca 0.04 0.01 -0.16 0.00 -0.71 0.00 0.00 54.79 53.98 2x5a n ASP 12 Cb 0.40 -0.72 -0.10 0.00 -1.35 0.00 0.00 41.12 39.35 2x5a n ASP 12 CO 0.00 0.00 0.00 -0.83 -1.01 0.00 0.00 177.20 175.36 2x5a s GLY 13 N -2.42 1.35 0.14 6.12 0.00 -0.46 -5.08 107.32 106.97 2x5a s GLY 13 Ca 0.00 -1.65 -0.08 0.00 0.00 0.00 0.00 44.72 42.99 2x5a s GLY 13 CO 0.00 -1.62 1.37 -0.91 0.00 0.00 0.00 173.10 171.94 2x5a h THR 14 N 2.60 1.32 -0.84 0.90 1.35 -1.96 -3.34 112.91 112.94 2x5a h THR 14 Ca -0.37 -2.04 -0.43 0.00 -0.55 0.00 0.00 66.41 63.01 2x5a h THR 14 Cb 1.21 2.03 -0.15 0.00 -1.73 0.00 0.00 68.15 69.50 2x5a h THR 14 CO 0.64 0.63 0.23 -0.90 -0.25 0.00 0.00 175.52 175.87 2x5a n ASP 15 N -3.89 6.22 -4.33 5.36 5.68 -1.26 -4.91 116.55 119.41 2x5a n ASP 15 Ca -0.06 -3.06 -0.47 0.00 -0.50 0.00 0.00 54.79 50.71 2x5a n ASP 15 Cb 0.73 -1.27 -0.02 0.00 -1.14 0.00 0.00 41.12 39.41 2x5a n ASP 15 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 2x5a s ASP 16 N 0.69 6.70 0.11 -1.12 2.15 -1.26 -4.31 116.67 119.63 2x5a s ASP 16 Ca 0.60 -2.58 -0.30 0.00 0.43 0.00 0.00 52.55 50.70 2x5a s ASP 16 Cb 0.37 -2.22 -0.06 0.00 -0.30 0.00 0.00 42.92 40.71 2x5a s ASP 16 CO -0.18 -0.62 1.17 -0.75 -0.17 0.00 0.00 175.17 174.63 2x5a s LYS 17 N 0.39 4.48 -0.14 4.34 2.20 -1.26 -4.85 119.74 124.90 2x5a s LYS 17 Ca 0.17 1.77 -0.03 0.00 -0.36 0.00 0.00 55.97 57.51 2x5a s LYS 17 Cb -0.12 -3.32 -0.03 0.00 -1.51 0.00 0.00 37.83 32.85 2x5a s LYS 17 CO -0.08 -0.15 -0.02 0.08 -0.36 0.00 0.00 175.35 174.82 2x5a s VAL 18 N 0.59 4.03 -0.30 4.02 1.01 -1.26 -2.60 120.40 125.89 2x5a s VAL 18 Ca 0.56 -0.32 -0.08 0.00 0.00 0.00 0.00 61.98 62.14 2x5a s VAL 18 Cb -0.30 -2.75 0.00 0.00 0.00 0.00 0.00 36.38 33.34 2x5a s VAL 18 CO 0.32 0.52 0.11 0.26 0.00 0.00 0.00 175.10 176.30 2x5a s TRP 19 N 0.05 3.16 -0.98 5.22 0.52 0.70 -4.98 118.94 122.63 2x5a s TRP 19 Ca 0.01 -0.83 -0.21 0.00 0.02 0.00 0.00 56.10 55.09 2x5a s TRP 19 Cb -0.13 -2.29 0.09 0.00 -1.15 0.00 0.00 33.47 29.99 2x5a s TRP 19 CO 0.02 -0.54 1.29 0.34 0.02 0.00 0.00 176.95 178.08 2x5a s ASP 20 N 1.54 6.57 0.48 2.95 -1.08 -1.26 -1.00 116.67 124.87 2x5a s ASP 20 Ca 0.03 -1.78 0.28 0.00 -0.52 0.00 0.00 52.55 50.56 2x5a s ASP 20 Cb -0.17 -2.48 0.97 0.00 -1.46 0.00 0.00 42.92 39.78 2x5a s ASP 20 CO 0.04 -1.27 1.84 -0.37 0.52 0.00 0.00 175.17 175.93 2x5a h VAL 21 N 6.28 0.22 0.12 1.11 -1.51 -1.70 0.29 116.25 121.05 2x5a h VAL 21 Ca 0.18 -0.88 -0.21 0.00 -1.23 0.00 0.00 66.70 64.56 2x5a h VAL 21 Cb 1.02 1.73 0.02 0.00 -2.13 0.00 0.00 31.29 31.93 2x5a h VAL 21 CO 1.26 0.10 -0.90 0.74 -1.23 0.00 0.00 177.57 177.54 2x5a h THR 22 N 0.00 1.43 0.01 7.19 2.02 -1.79 -2.18 112.91 119.59 2x5a h THR 22 Ca -0.00 -2.43 -0.38 0.00 0.77 0.00 0.00 66.41 64.37 2x5a h THR 22 Cb 0.72 2.96 -0.06 0.00 -1.74 0.00 0.00 68.15 70.04 2x5a h THR 22 CO 0.01 0.70 -2.09 0.59 0.37 0.00 0.00 175.52 175.10 2x5a n ASN 23 N -4.06 1.94 -3.17 4.18 3.02 -1.20 -4.92 115.26 111.06 2x5a n ASN 23 Ca -0.13 0.32 -0.14 0.00 -0.03 0.00 0.00 54.58 54.60 2x5a n ASN 23 Cb 0.84 -0.84 0.13 0.00 -0.61 0.00 0.00 39.78 39.31 2x5a n ASN 23 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2x5a n GLY 24 N 1.43 -3.20 0.34 7.41 0.00 0.10 -4.95 105.19 106.33 2x5a n GLY 24 Ca -0.45 -1.04 -0.05 0.00 0.00 0.00 0.00 46.02 44.47 2x5a n GLY 24 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2x5a h LYS 25 N 0.00 1.20 -5.32 1.61 1.79 -1.93 -3.40 116.57 110.52 2x5a h LYS 25 Ca -0.18 -0.17 -0.61 0.00 -2.18 0.00 0.00 60.65 57.52 2x5a h LYS 25 Cb 0.60 -0.22 -0.12 0.00 -1.58 0.00 0.00 32.23 30.90 2x5a h LYS 25 CO 0.11 0.91 -0.27 0.54 -1.08 0.00 0.00 179.45 179.66 2x5a s VAL 26 N -5.74 5.23 -0.02 0.50 0.11 -1.26 0.04 120.40 119.26 2x5a s VAL 26 Ca -0.13 0.58 0.06 0.00 -2.93 0.00 0.00 61.98 59.57 2x5a s VAL 26 Cb 0.16 -3.68 -0.02 0.00 -1.53 0.00 0.00 36.38 31.32 2x5a s VAL 26 CO 0.83 0.26 -0.21 -0.13 -3.33 0.00 0.00 175.10 172.52 2x5a s ARG 27 N 1.34 1.72 -0.24 1.54 0.52 0.13 -4.23 118.95 119.72 2x5a s ARG 27 Ca 0.16 -0.74 -0.10 0.00 -0.52 0.00 0.00 55.73 54.52 2x5a s ARG 27 Cb -0.15 -1.65 -0.05 0.00 0.52 0.00 0.00 34.95 33.63 2x5a s ARG 27 CO 0.07 0.44 0.16 -0.06 0.02 0.00 0.00 175.30 175.93 2x5a s PHE 28 N -0.46 3.29 0.11 -0.53 0.40 -0.82 -1.22 117.98 118.75 2x5a s PHE 28 Ca 0.07 0.19 0.03 0.00 -0.60 0.00 0.00 56.93 56.62 2x5a s PHE 28 Cb -0.08 -2.28 -0.04 0.00 0.51 0.00 0.00 43.02 41.13 2x5a s PHE 28 CO -0.01 0.02 -0.08 0.71 0.70 0.00 0.00 175.22 176.57 2x5a s TYR 29 N 1.16 1.00 -0.81 0.36 2.02 -0.41 -4.73 117.35 115.93 2x5a s TYR 29 Ca 0.07 -0.81 -0.01 0.00 -0.37 0.00 0.00 57.07 55.95 2x5a s TYR 29 Cb -0.14 -0.55 0.00 0.00 -0.40 0.00 0.00 41.96 40.87 2x5a s TYR 29 CO 0.05 -0.06 0.62 1.04 -1.57 0.00 0.00 175.55 175.63 2x5a n GLN 30 N 0.10 -1.52 -1.83 -0.62 6.02 -1.26 0.20 117.38 118.46 2x5a n GLN 30 Ca -0.13 0.87 -0.41 0.00 -0.01 0.00 0.00 57.00 57.32 2x5a n GLN 30 Cb 0.60 -2.77 -0.01 0.00 1.02 0.00 0.00 30.24 29.08 2x5a n GLN 30 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 2x5a s PRO 31 N -4.64 4.15 0.05 -1.09 0.04 -1.26 -4.33 135.00 127.92 2x5a s PRO 31 Ca 0.01 2.52 -0.29 0.00 0.04 0.00 0.00 61.00 63.28 2x5a s PRO 31 Cb -0.00 -3.03 -0.15 0.00 0.04 0.00 0.00 34.50 31.36 2x5a s PRO 31 CO 0.88 -0.56 1.43 0.66 0.04 0.00 0.00 177.00 179.45 2x5a h SER 32 N 4.46 -0.94 -3.27 6.66 4.64 -1.65 -3.45 113.55 120.00 2x5a h SER 32 Ca -0.48 0.05 -0.19 0.00 -0.47 0.00 0.00 61.79 60.70 2x5a h SER 32 Cb 1.22 0.26 -0.30 0.00 -0.31 0.00 0.00 62.40 63.28 2x5a h SER 32 CO 0.76 -0.60 -0.48 0.21 -0.87 0.00 0.00 176.83 175.85 2x5a s ASN 33 N -3.61 -0.19 0.00 4.97 2.47 -1.26 -5.00 114.94 112.31 2x5a s ASN 33 Ca -0.15 0.56 0.13 0.00 0.42 0.00 0.00 52.86 53.82 2x5a s ASN 33 Cb 0.02 0.47 0.06 0.00 -1.45 0.00 0.00 41.25 40.35 2x5a s ASN 33 CO 0.46 -0.18 0.85 0.18 -3.72 0.00 0.00 177.10 174.69 2x5a n LEU 34 N 4.39 1.81 0.00 3.21 4.77 -1.26 -4.70 117.00 125.22 2x5a n LEU 34 Ca -0.23 -0.89 0.00 0.00 -0.03 0.00 0.00 56.01 54.86 2x5a n LEU 34 Cb 0.53 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.62 2x5a n LEU 34 CO 0.12 0.34 0.00 0.61 -1.33 0.00 0.00 177.39 177.13 2x5a n GLY 35 N 0.88 0.71 3.29 -0.72 0.00 -1.26 -4.83 105.19 103.26 2x5a n GLY 35 Ca 0.07 -1.45 -0.10 0.00 0.00 0.00 0.00 46.02 44.53 2x5a n GLY 35 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2x5a s LEU 36 N 0.00 0.61 0.09 0.99 0.05 -1.26 -4.74 118.68 114.41 2x5a s LEU 36 Ca 0.00 -0.39 0.09 0.00 0.05 0.00 0.00 54.13 53.89 2x5a s LEU 36 Cb 0.00 1.68 -0.03 0.00 -2.05 0.00 0.00 46.19 45.78 2x5a s LEU 36 CO 0.00 -0.83 -0.25 -1.10 -0.55 0.00 0.00 176.35 173.63 2x5a s GLN 37 N -3.82 1.45 -0.00 1.48 -0.21 -0.85 -5.04 119.66 112.68 2x5a s GLN 37 Ca 0.03 -1.18 0.00 0.00 0.02 0.00 0.00 55.36 54.24 2x5a s GLN 37 Cb 0.02 -1.75 0.00 0.00 1.00 0.00 0.00 33.01 32.29 2x5a s GLN 37 CO -0.12 0.43 -0.00 0.45 -2.12 0.00 0.00 175.29 173.93 2x5a s SER 38 N -1.65 0.05 -0.39 5.90 0.15 -1.26 -0.70 113.70 115.80 2x5a s SER 38 Ca 0.11 -0.00 -0.03 0.00 0.70 0.00 0.00 55.95 56.73 2x5a s SER 38 Cb -0.10 -0.01 0.10 0.00 -1.71 0.00 0.00 66.02 64.30 2x5a s SER 38 CO 0.04 -0.00 0.17 0.28 1.20 0.00 0.00 173.24 174.92 2x5a s THR 39 N 0.05 3.23 -0.99 6.45 -1.32 -0.88 -4.97 115.64 117.22 2x5a s THR 39 Ca -0.00 -1.94 0.28 0.00 -1.21 0.00 0.00 61.69 58.82 2x5a s THR 39 Cb -0.01 -3.16 0.22 0.00 -1.51 0.00 0.00 72.50 68.03 2x5a s THR 39 CO -0.00 -0.59 1.87 0.59 -2.21 0.00 0.00 174.62 174.27 2x5a n ASN 40 N 4.59 0.09 -3.73 8.08 3.02 -1.26 -1.81 115.26 124.24 2x5a n ASN 40 Ca -0.04 0.43 -0.22 0.00 -0.03 0.00 0.00 54.58 54.71 2x5a n ASN 40 Cb 0.42 -0.43 0.03 0.00 -0.61 0.00 0.00 39.78 39.18 2x5a n ASN 40 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 2x5a n ASN 41 N -1.54 -1.59 -4.56 6.41 3.02 -1.26 -2.83 115.26 112.92 2x5a n ASN 41 Ca 0.07 -0.82 -0.43 0.00 -0.03 0.00 0.00 54.58 53.37 2x5a n ASN 41 Cb 0.34 -4.01 -0.04 0.00 -0.61 0.00 0.00 39.78 35.46 2x5a n ASN 41 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2x5a s ILE 42 N -3.63 4.40 -0.10 2.41 1.01 -1.26 -2.75 121.20 121.29 2x5a s ILE 42 Ca 0.08 0.71 -0.02 0.00 0.00 0.00 0.00 60.65 61.42 2x5a s ILE 42 Cb -0.04 -4.49 -0.03 0.00 0.01 0.00 0.00 42.46 37.91 2x5a s ILE 42 CO 0.82 -0.94 -0.00 0.86 0.00 0.00 0.00 174.94 175.68 2x5a s TRP 43 N 3.93 3.14 -0.10 3.97 -0.11 -0.94 -4.98 118.94 123.84 2x5a s TRP 43 Ca 0.37 0.14 0.03 0.00 1.22 0.00 0.00 56.10 57.86 2x5a s TRP 43 Cb -0.10 -1.81 0.01 0.00 -1.50 0.00 0.00 33.47 30.06 2x5a s TRP 43 CO 0.25 0.40 -0.21 -0.65 -4.62 0.00 0.00 176.95 172.13 2x5a s GLN 44 N -0.71 2.71 -0.16 5.86 -0.21 -1.26 -2.12 119.66 123.77 2x5a s GLN 44 Ca 0.11 -0.76 0.00 0.00 0.02 0.00 0.00 55.36 54.74 2x5a s GLN 44 Cb -0.12 -2.11 0.00 0.00 1.00 0.00 0.00 33.01 31.78 2x5a s GLN 44 CO 0.02 0.10 -0.16 -1.54 -2.12 0.00 0.00 175.29 171.59 2x5a s SER 45 N 0.53 3.61 -1.34 5.90 1.04 -0.96 -4.78 113.70 117.70 2x5a s SER 45 Ca -0.15 -0.49 -0.01 0.00 0.48 0.00 0.00 55.95 55.78 2x5a s SER 45 Cb -0.17 -1.56 -0.00 0.00 0.10 0.00 0.00 66.02 64.39 2x5a s SER 45 CO 0.05 0.07 0.56 -3.20 0.98 0.00 0.00 173.24 171.71 2x5a n ASN 46 N 4.12 -1.03 0.00 7.02 5.15 -1.26 -2.64 115.26 126.62 2x5a n ASN 46 Ca -0.19 -0.93 0.00 0.00 -0.60 0.00 0.00 54.58 52.86 2x5a n ASN 46 Cb 0.52 -3.52 0.00 0.00 -0.53 0.00 0.00 39.78 36.24 2x5a n ASN 46 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2x5a n GLY 47 N -1.78 2.43 3.74 8.20 0.00 -1.26 -4.98 105.19 111.53 2x5a n GLY 47 Ca -0.29 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.34 2x5a n GLY 47 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2x5a s ILE 48 N -0.59 5.03 -0.20 -0.61 -0.00 -1.08 -5.06 121.20 118.68 2x5a s ILE 48 Ca 0.00 1.21 -0.10 0.00 -0.00 0.00 0.00 60.65 61.75 2x5a s ILE 48 Cb 0.00 -3.92 -0.05 0.00 -0.00 0.00 0.00 42.46 38.49 2x5a s ILE 48 CO 0.00 0.35 0.14 -0.83 -0.00 0.00 0.00 174.94 174.60 2x5a s GLY 49 N 0.30 2.04 -0.15 6.27 0.00 -1.26 -2.28 107.32 112.25 2x5a s GLY 49 Ca 0.31 -0.70 -0.01 0.00 0.00 0.00 0.00 44.72 44.32 2x5a s GLY 49 CO 0.15 0.19 -0.12 0.14 0.00 0.00 0.00 173.10 173.47 2x5a s VAL 50 N 0.46 3.10 -0.18 1.40 1.01 -0.90 -5.03 120.40 120.26 2x5a s VAL 50 Ca 0.08 -0.63 -0.06 0.00 0.00 0.00 0.00 61.98 61.37 2x5a s VAL 50 Cb -0.11 -2.32 -0.03 0.00 0.00 0.00 0.00 36.38 33.91 2x5a s VAL 50 CO -0.01 0.51 0.02 -0.32 0.00 0.00 0.00 175.10 175.30 2x5a s MET 51 N 0.55 3.81 0.00 2.72 1.75 -1.26 -2.22 119.30 124.64 2x5a s MET 51 Ca -0.08 -0.44 0.00 0.00 -1.25 0.00 0.00 55.69 53.93 2x5a s MET 51 Cb -0.15 -3.09 0.00 0.00 2.84 0.00 0.00 34.83 34.42 2x5a s MET 51 CO 0.04 0.21 0.00 0.41 -0.65 0.00 0.00 175.02 175.02 2x5a n GLY 52 N 3.69 0.87 3.32 2.11 0.00 -1.11 -5.00 105.19 109.07 2x5a n GLY 52 Ca -0.17 -0.02 -0.33 0.00 0.00 0.00 0.00 46.02 45.51 2x5a n GLY 52 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2x5a s THR 53 N 0.15 2.76 -0.46 2.61 -4.23 -1.24 -4.95 115.64 110.28 2x5a s THR 53 Ca 0.00 -0.77 -0.23 0.00 -1.18 0.00 0.00 61.69 59.51 2x5a s THR 53 Cb 0.00 -2.14 0.03 0.00 1.34 0.00 0.00 72.50 71.73 2x5a s THR 53 CO 0.00 0.53 0.81 0.00 -0.54 0.00 0.00 174.62 175.42 2x5a s ARG 54 N 0.37 3.41 -0.58 3.99 1.70 -1.26 -4.35 118.95 122.24 2x5a s ARG 54 Ca -0.13 -0.10 -0.26 0.00 -0.47 0.00 0.00 55.73 54.77 2x5a s ARG 54 Cb -0.16 -3.95 0.04 0.00 -0.57 0.00 0.00 34.95 30.30 2x5a s ARG 54 CO 0.06 -1.16 1.09 -1.12 -1.08 0.00 0.00 175.30 173.10 2x5a s SER 55 N 2.20 6.38 -1.07 -2.89 0.01 -0.75 -4.88 113.70 112.71 2x5a s SER 55 Ca 0.30 -0.13 -0.22 0.00 1.31 0.00 0.00 55.95 57.21 2x5a s SER 55 Cb -0.12 -2.50 0.04 0.00 0.21 0.00 0.00 66.02 63.65 2x5a s SER 55 CO 0.23 -1.39 1.55 -0.51 0.41 0.00 0.00 173.24 173.53 2x5a s ILE 56 N 4.56 3.92 0.30 1.44 1.10 -1.26 -2.08 121.20 129.18 2x5a s ILE 56 Ca 0.37 -0.96 -0.28 0.00 -0.51 0.00 0.00 60.65 59.27 2x5a s ILE 56 Cb -0.10 -5.00 -0.09 0.00 0.15 0.00 0.00 42.46 37.42 2x5a s ILE 56 CO 0.22 -1.87 1.05 -0.89 -2.11 0.00 0.00 174.94 171.34 2x5a s THR 57 N 5.32 3.68 -0.15 4.00 2.01 0.12 -4.96 115.64 125.67 2x5a s THR 57 Ca 0.50 1.59 -0.01 0.00 0.31 0.00 0.00 61.69 64.07 2x5a s THR 57 Cb 0.00 -3.97 -0.02 0.00 0.01 0.00 0.00 72.50 68.53 2x5a s THR 57 CO -0.05 0.30 -0.10 -1.10 -0.69 0.00 0.00 174.62 172.97 2x5a s GLN 58 N -1.66 3.43 0.29 4.92 -1.52 -1.26 -2.01 119.66 121.85 2x5a s GLN 58 Ca 0.47 -0.65 -0.10 0.00 -1.95 0.00 0.00 55.36 53.14 2x5a s GLN 58 Cb -0.28 -2.75 -0.07 0.00 -0.22 0.00 0.00 33.01 29.69 2x5a s GLN 58 CO 0.35 0.14 0.62 -1.25 -0.25 0.00 0.00 175.29 174.91 2x5a s PRO 59 N 0.55 3.80 0.55 2.91 0.04 -1.26 -4.89 135.00 136.71 2x5a s PRO 59 Ca -0.07 0.32 -0.19 0.00 0.04 0.00 0.00 61.00 61.11 2x5a s PRO 59 Cb -0.15 -2.56 -0.08 0.00 0.04 0.00 0.00 34.50 31.75 2x5a s PRO 59 CO 0.03 0.20 0.74 1.04 0.04 0.00 0.00 177.00 179.06 2x5a n GLN 60 N -0.55 0.75 -4.00 4.56 6.02 -1.26 -4.87 117.38 118.04 2x5a n GLN 60 Ca 0.01 0.29 -0.34 0.00 -0.01 0.00 0.00 57.00 56.94 2x5a n GLN 60 Cb 0.53 -1.89 -0.14 0.00 1.02 0.00 0.00 30.24 29.76 2x5a n GLN 60 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 2x5a s ILE 61 N -1.58 3.08 -0.22 5.09 1.01 -1.01 -4.50 121.20 123.07 2x5a s ILE 61 Ca 0.70 -0.60 -0.02 0.00 0.00 0.00 0.00 60.65 60.74 2x5a s ILE 61 Cb -0.46 -2.38 0.01 0.00 0.01 0.00 0.00 42.46 39.64 2x5a s ILE 61 CO 0.52 0.45 -0.09 -0.70 0.00 0.00 0.00 174.94 175.12 2x5a s GLU 62 N 1.38 3.11 0.03 2.79 2.12 -1.26 -1.09 118.70 125.79 2x5a s GLU 62 Ca 0.05 -0.78 0.02 0.00 0.36 0.00 0.00 54.97 54.61 2x5a s GLU 62 Cb -0.14 -2.88 -0.04 0.00 0.26 0.00 0.00 34.13 31.33 2x5a s GLU 62 CO -0.05 -0.26 0.03 -0.06 -0.54 0.00 0.00 175.26 174.38 2x5a s PHE 63 N 1.38 3.12 -0.65 5.30 0.08 0.25 -1.62 117.98 125.84 2x5a s PHE 63 Ca 0.04 0.08 -0.23 0.00 0.12 0.00 0.00 56.93 56.94 2x5a s PHE 63 Cb -0.15 -1.64 0.06 0.00 -0.57 0.00 0.00 43.02 40.72 2x5a s PHE 63 CO -0.06 0.49 0.98 0.21 -0.10 0.00 0.00 175.22 176.74 2x5a s LYS 64 N -1.92 3.15 -0.39 0.44 2.20 0.13 -1.04 119.74 122.32 2x5a s LYS 64 Ca 0.23 -0.70 -0.22 0.00 -0.36 0.00 0.00 55.97 54.92 2x5a s LYS 64 Cb -0.12 -4.20 0.01 0.00 -1.51 0.00 0.00 37.83 32.02 2x5a s LYS 64 CO 0.15 -1.79 0.71 -1.17 -0.36 0.00 0.00 175.35 172.89 2x5a s LEU 65 N 4.17 4.25 -0.04 5.43 0.20 0.40 -1.29 118.68 131.79 2x5a s LEU 65 Ca 0.24 0.09 0.04 0.00 0.69 0.00 0.00 54.13 55.19 2x5a s LEU 65 Cb -0.16 -2.88 -0.03 0.00 -0.43 0.00 0.00 46.19 42.70 2x5a s LEU 65 CO 0.12 -0.72 -0.14 -1.61 -0.29 0.00 0.00 176.35 173.71 2x5a s GLU 66 N 2.95 2.49 0.06 1.98 8.01 -0.36 -0.48 118.70 133.34 2x5a s GLU 66 Ca 0.27 -0.71 0.02 0.00 0.01 0.00 0.00 54.97 54.57 2x5a s GLU 66 Cb -0.14 -2.38 -0.04 0.00 -4.31 0.00 0.00 34.13 27.26 2x5a s GLU 66 CO 0.17 0.62 0.07 0.95 0.01 0.00 0.00 175.26 177.09 2x5a s THR 67 N -0.76 4.52 -0.28 3.63 -4.23 -1.00 0.18 115.64 117.70 2x5a s THR 67 Ca 0.12 -0.71 0.09 0.00 -1.18 0.00 0.00 61.69 60.02 2x5a s THR 67 Cb -0.11 -3.15 0.47 0.00 1.34 0.00 0.00 72.50 71.05 2x5a s THR 67 CO 0.01 0.18 1.18 0.49 -0.54 0.00 0.00 174.62 175.94 2x5a n PHE 68 N 0.64 2.44 -0.71 3.99 3.72 0.11 -4.08 117.46 123.56 2x5a n PHE 68 Ca -0.10 -2.17 -0.29 0.00 -0.05 0.00 0.00 57.45 54.84 2x5a n PHE 68 Cb 0.52 -0.32 0.24 0.00 -0.94 0.00 0.00 39.48 38.98 2x5a n PHE 68 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 2x5a s GLY 69 N -3.61 1.53 -0.06 1.37 0.00 -1.26 -4.96 107.32 100.33 2x5a s GLY 69 Ca 0.47 -0.37 0.20 0.00 0.00 0.00 0.00 44.72 45.03 2x5a s GLY 69 CO 0.02 0.39 0.42 1.18 0.00 0.00 0.00 173.10 175.11 2x5a n GLU 70 N -4.86 0.66 -4.21 2.90 1.02 -1.26 -4.90 120.64 109.99 2x5a n GLU 70 Ca 0.05 -0.08 -0.14 0.00 -0.02 0.00 0.00 57.16 56.97 2x5a n GLU 70 Cb 0.56 -1.56 -0.09 0.00 -0.02 0.00 0.00 31.44 30.33 2x5a n GLU 70 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 2x5a s SER 71 N -4.98 0.61 0.28 1.62 1.04 -1.25 -4.86 113.70 106.15 2x5a s SER 71 Ca -0.08 -1.48 -0.00 0.00 0.48 0.00 0.00 55.95 54.87 2x5a s SER 71 Cb 0.11 0.45 0.42 0.00 0.10 0.00 0.00 66.02 67.09 2x5a s SER 71 CO 0.87 -0.93 1.81 -0.07 0.98 0.00 0.00 173.24 175.90 2x5a h LEU 72 N 2.45 0.70 -0.36 2.42 3.38 -1.80 -2.38 115.31 119.71 2x5a h LEU 72 Ca -0.32 -0.15 -0.00 0.00 0.09 0.00 0.00 57.88 57.50 2x5a h LEU 72 Cb 1.24 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.79 2x5a h LEU 72 CO 0.47 0.74 0.21 -0.08 0.09 0.00 0.00 178.44 179.87 2x5a h GLU 73 N 0.71 0.50 -0.44 1.13 4.81 -1.95 -2.37 114.58 116.96 2x5a h GLU 73 Ca 0.15 -0.05 -0.11 0.00 -0.13 0.00 0.00 59.36 59.21 2x5a h GLU 73 Cb 0.37 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.63 2x5a h GLU 73 CO 0.01 0.39 -0.18 1.49 -0.73 0.00 0.00 179.01 179.99 2x5a h GLU 74 N 0.47 0.87 -0.24 1.92 4.81 -1.87 -2.16 114.58 118.38 2x5a h GLU 74 Ca 0.13 -0.34 -0.17 0.00 -0.13 0.00 0.00 59.36 58.85 2x5a h GLU 74 Cb 0.02 -0.05 -0.00 0.00 0.63 0.00 0.00 28.75 29.35 2x5a h GLU 74 CO -0.02 0.98 -0.53 -0.91 -0.73 0.00 0.00 179.01 177.80 2x5a h ASN 75 N 0.76 0.77 -0.14 1.04 2.35 -1.38 -2.23 115.58 116.75 2x5a h ASN 75 Ca 0.11 -0.40 -0.11 0.00 -0.55 0.00 0.00 56.30 55.34 2x5a h ASN 75 Cb 0.71 -0.22 -0.01 0.00 0.05 0.00 0.00 38.32 38.85 2x5a h ASN 75 CO 0.05 1.15 -0.28 1.88 -1.65 0.00 0.00 177.43 178.59 2x5a h TYR 76 N 0.54 0.70 0.00 1.19 0.05 -1.40 -2.58 116.97 115.46 2x5a h TYR 76 Ca 0.02 -0.17 -0.08 0.00 0.05 0.00 0.00 58.73 58.55 2x5a h TYR 76 Cb 1.09 -0.16 -0.01 0.00 1.01 0.00 0.00 36.73 38.66 2x5a h TYR 76 CO 0.06 0.83 -0.40 0.37 -1.05 0.00 0.00 178.16 177.96 2x5a h GLN 77 N 0.53 0.00 0.11 4.88 5.75 -1.30 -2.47 115.11 122.61 2x5a h GLN 77 Ca 0.07 0.00 -0.01 0.00 -0.15 0.00 0.00 58.65 58.56 2x5a h GLN 77 Cb 0.75 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.30 2x5a h GLN 77 CO 0.06 0.40 -0.05 -0.07 -2.65 0.00 0.00 178.83 176.52 2x5a h LEU 78 N 0.00 -0.12 -0.79 -2.39 3.38 -1.18 -2.52 115.31 111.68 2x5a h LEU 78 Ca -0.00 -0.43 0.13 0.00 0.09 0.00 0.00 57.88 57.66 2x5a h LEU 78 Cb 0.82 0.03 -0.09 0.00 0.09 0.00 0.00 40.66 41.51 2x5a h LEU 78 CO 0.05 0.49 0.38 0.24 0.09 0.00 0.00 178.44 179.69 2x5a h MET 79 N -0.88 0.55 -0.16 1.13 2.86 -1.49 0.23 114.93 117.17 2x5a h MET 79 Ca -0.02 -0.03 -0.04 0.00 -2.06 0.00 0.00 59.70 57.55 2x5a h MET 79 Cb 0.55 -0.12 -0.00 0.00 0.06 0.00 0.00 31.60 32.08 2x5a h MET 79 CO 0.02 0.36 -0.05 -0.22 1.06 0.00 0.00 176.91 178.09 2x5a h LYS 80 N 0.56 0.31 -0.21 1.72 3.64 -1.56 -2.38 116.57 118.66 2x5a h LYS 80 Ca 0.42 -0.12 -0.04 0.00 -1.27 0.00 0.00 60.65 59.64 2x5a h LYS 80 Cb 0.58 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.38 2x5a h LYS 80 CO -0.35 0.60 -0.03 -0.44 -2.27 0.00 0.00 179.45 176.95 2x5a h ASP 81 N 0.01 0.39 0.57 4.20 3.32 -0.95 -2.92 116.42 121.04 2x5a h ASP 81 Ca 0.04 -0.35 -0.03 0.00 0.02 0.00 0.00 57.03 56.72 2x5a h ASP 81 Cb 0.49 -0.11 0.01 0.00 0.22 0.00 0.00 39.33 39.94 2x5a h ASP 81 CO 0.02 0.64 -0.27 0.15 -1.72 0.00 0.00 179.24 178.05 2x5a h PHE 82 N 0.13 -0.71 -0.97 4.55 3.57 -0.64 -2.78 116.94 120.08 2x5a h PHE 82 Ca 0.06 -0.02 0.04 0.00 3.53 0.00 0.00 57.97 61.58 2x5a h PHE 82 Cb 0.46 0.23 -0.06 0.00 2.79 0.00 0.00 35.95 39.38 2x5a h PHE 82 CO 0.05 -0.38 0.63 0.28 -2.23 0.00 0.00 178.31 176.66 2x5a h VAL 83 N -1.02 1.14 -0.08 1.41 2.07 -1.57 -2.51 116.25 115.69 2x5a h VAL 83 Ca -0.08 -0.41 -0.11 0.00 0.82 0.00 0.00 66.70 66.92 2x5a h VAL 83 Cb 0.65 -0.17 -0.01 0.00 -1.52 0.00 0.00 31.29 30.24 2x5a h VAL 83 CO 0.13 0.22 -0.44 0.78 0.02 0.00 0.00 177.57 178.27 2x5a h ASN 84 N 1.21 0.20 -0.26 0.57 2.35 -1.61 -2.05 115.58 115.99 2x5a h ASN 84 Ca 0.40 -0.09 -0.07 0.00 -0.55 0.00 0.00 56.30 55.99 2x5a h ASN 84 Cb 0.04 -0.06 -0.02 0.00 0.05 0.00 0.00 38.32 38.34 2x5a h ASN 84 CO -0.14 0.63 -0.06 0.44 -1.65 0.00 0.00 177.43 176.65 2x5a h ASP 85 N 0.16 0.60 0.13 5.81 3.45 -1.16 0.17 116.42 125.57 2x5a h ASP 85 Ca 0.01 -0.14 -0.14 0.00 0.43 0.00 0.00 57.03 57.19 2x5a h ASP 85 Cb 0.85 -0.16 -0.01 0.00 -0.56 0.00 0.00 39.33 39.46 2x5a h ASP 85 CO 0.07 0.71 -0.50 0.40 -1.57 0.00 0.00 179.24 178.34 2x5a h ILE 86 N 0.58 1.33 0.01 0.35 2.04 -1.24 -3.23 117.51 117.35 2x5a h ILE 86 Ca 0.11 -1.73 -0.22 0.00 1.00 0.00 0.00 64.86 64.01 2x5a h ILE 86 Cb 0.46 1.76 -0.00 0.00 -0.74 0.00 0.00 36.82 38.29 2x5a h ILE 86 CO 0.02 0.53 -0.95 -0.07 0.00 0.00 0.00 178.15 177.68 2x5a h LEU 87 N 0.34 0.46 -1.21 1.44 3.38 -0.67 -3.32 115.31 115.72 2x5a h LEU 87 Ca 0.01 -0.38 0.07 0.00 0.09 0.00 0.00 57.88 57.68 2x5a h LEU 87 Cb 1.00 -0.14 -0.06 0.00 0.09 0.00 0.00 40.66 41.55 2x5a h LEU 87 CO 0.09 1.18 0.56 0.77 0.09 0.00 0.00 178.44 181.13 2x5a h SER 88 N 0.19 0.83 -2.88 -0.43 4.64 -0.71 -3.40 113.55 111.78 2x5a h SER 88 Ca -0.08 0.01 -0.64 0.00 -0.47 0.00 0.00 61.79 60.61 2x5a h SER 88 Cb 1.59 -0.17 -0.08 0.00 -0.31 0.00 0.00 62.40 63.43 2x5a h SER 88 CO 0.16 0.53 -0.45 -0.54 -0.87 0.00 0.00 176.83 175.67 2x5a s LYS 89 N -5.84 3.74 0.57 4.77 -0.14 -1.24 -5.01 119.74 116.59 2x5a s LYS 89 Ca -0.11 -0.09 0.27 0.00 -1.36 0.00 0.00 55.97 54.68 2x5a s LYS 89 Cb 0.20 -3.27 1.70 0.00 -1.68 0.00 0.00 37.83 34.77 2x5a s LYS 89 CO 0.79 0.61 2.23 1.57 -0.76 0.00 0.00 175.35 179.79 2x5a h LYS 90 N 5.52 0.00 -2.90 1.68 2.10 -1.83 -3.43 116.57 117.70 2x5a h LYS 90 Ca -0.50 0.00 -0.13 0.00 -2.00 0.00 0.00 60.65 58.01 2x5a h LYS 90 Cb 1.20 0.00 -0.24 0.00 -0.90 0.00 0.00 32.23 32.29 2x5a h LYS 90 CO 0.64 0.01 -0.30 -0.59 -2.00 0.00 0.00 179.45 177.21 2x5a s PHE 91 N -4.71 -0.36 -0.19 0.07 -0.12 -1.26 -4.82 117.98 106.59 2x5a s PHE 91 Ca -0.05 0.86 -0.02 0.00 -0.05 0.00 0.00 56.93 57.67 2x5a s PHE 91 Cb 0.15 0.13 -0.01 0.00 -0.63 0.00 0.00 43.02 42.67 2x5a s PHE 91 CO 0.57 -0.21 -0.09 0.08 -0.05 0.00 0.00 175.22 175.52 2x5a s VAL 92 N -0.01 3.09 -0.21 -2.49 1.01 -0.30 -4.88 120.40 116.62 2x5a s VAL 92 Ca -0.02 -0.60 -0.28 0.00 0.00 0.00 0.00 61.98 61.07 2x5a s VAL 92 Cb -0.03 -2.37 0.00 0.00 0.00 0.00 0.00 36.38 33.99 2x5a s VAL 92 CO 0.01 0.47 1.00 -0.89 0.00 0.00 0.00 175.10 175.69 2x5a s THR 93 N 1.18 4.72 0.21 3.92 2.01 -0.73 -1.91 115.64 125.04 2x5a s THR 93 Ca 0.02 1.97 -0.05 0.00 0.31 0.00 0.00 61.69 63.94 2x5a s THR 93 Cb -0.14 -4.28 -0.06 0.00 0.01 0.00 0.00 72.50 68.03 2x5a s THR 93 CO -0.03 -0.13 0.47 -0.22 -0.69 0.00 0.00 174.62 174.02 2x5a s LEU 94 N 2.89 4.18 -0.17 4.42 2.96 0.14 -0.24 118.68 132.86 2x5a s LEU 94 Ca 0.44 0.65 0.00 0.00 -0.22 0.00 0.00 54.13 55.00 2x5a s LEU 94 Cb -0.16 -3.42 0.04 0.00 0.50 0.00 0.00 46.19 43.15 2x5a s LEU 94 CO 0.09 -0.07 -0.09 -0.70 -1.32 0.00 0.00 176.35 174.26 2x5a s GLU 95 N -3.08 1.81 -0.43 1.98 2.12 0.34 -1.28 118.70 120.15 2x5a s GLU 95 Ca 0.43 -0.62 -0.16 0.00 0.36 0.00 0.00 54.97 54.97 2x5a s GLU 95 Cb -0.11 -2.14 0.03 0.00 0.26 0.00 0.00 34.13 32.17 2x5a s GLU 95 CO 0.26 -0.38 0.39 -0.47 -0.54 0.00 0.00 175.26 174.52 2x5a s TYR 96 N 1.53 3.20 -0.05 5.30 5.04 0.57 -2.75 117.35 130.19 2x5a s TYR 96 Ca 0.01 -0.55 0.06 0.00 -2.44 0.00 0.00 57.07 54.15 2x5a s TYR 96 Cb -0.15 -2.84 -0.01 0.00 0.35 0.00 0.00 41.96 39.31 2x5a s TYR 96 CO -0.08 -0.69 -0.22 -1.14 -1.34 0.00 0.00 175.55 172.08 2x5a s GLN 97 N 1.91 2.24 0.35 4.97 0.74 -0.84 -0.75 119.66 128.29 2x5a s GLN 97 Ca 0.08 -0.81 0.02 0.00 0.05 0.00 0.00 55.36 54.71 2x5a s GLN 97 Cb -0.19 -1.94 -0.01 0.00 1.10 0.00 0.00 33.01 31.98 2x5a s GLN 97 CO 0.11 0.35 0.42 0.25 -0.55 0.00 0.00 175.29 175.87 2x5a n THR 98 N 2.96 0.00 -0.29 -0.34 -2.24 0.13 -0.86 114.28 113.63 2x5a n THR 98 Ca -0.17 -2.10 0.08 0.00 -2.27 0.00 0.00 64.05 59.58 2x5a n THR 98 Cb 0.52 1.18 0.30 0.00 -2.10 0.00 0.00 70.33 70.23 2x5a n THR 98 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 2x5a h GLU 99 N 0.00 0.86 0.02 -0.78 5.08 -1.86 -3.17 114.58 114.73 2x5a h GLU 99 Ca -0.26 -0.05 -0.34 0.00 -1.00 0.00 0.00 59.36 57.71 2x5a h GLU 99 Cb 1.23 -0.19 -0.05 0.00 0.50 0.00 0.00 28.75 30.23 2x5a h GLU 99 CO 0.37 0.57 -2.04 0.44 -1.00 0.00 0.00 179.01 177.34 2x5a n ILE 100 N -4.54 1.55 -4.12 3.13 -5.35 -1.26 -5.04 119.36 103.72 2x5a n ILE 100 Ca 0.16 -0.78 -0.08 0.00 -0.27 0.00 0.00 62.75 61.78 2x5a n ILE 100 Cb 0.33 -0.97 -0.10 0.00 -1.74 0.00 0.00 39.64 37.15 2x5a n ILE 100 CO 0.00 0.00 0.00 0.72 -1.76 0.00 0.00 176.55 175.51 2x5a s PHE 101 N -2.55 0.67 -0.30 4.28 -0.12 -1.20 -5.12 117.98 113.64 2x5a s PHE 101 Ca -0.11 -1.05 -0.03 0.00 -0.05 0.00 0.00 56.93 55.69 2x5a s PHE 101 Cb 0.07 -0.44 0.11 0.00 -0.63 0.00 0.00 43.02 42.13 2x5a s PHE 101 CO 0.80 -0.33 0.14 -1.14 -0.05 0.00 0.00 175.22 174.64 2x5a s GLN 102 N -3.91 0.29 0.38 1.99 0.74 -1.26 -0.69 119.66 117.20 2x5a s GLN 102 Ca 0.11 -0.71 0.08 0.00 0.05 0.00 0.00 55.36 54.88 2x5a s GLN 102 Cb 0.07 -1.24 -0.05 0.00 1.10 0.00 0.00 33.01 32.90 2x5a s GLN 102 CO -0.07 -1.05 0.13 0.14 -0.55 0.00 0.00 175.29 173.89 2x5a s VAL 103 N 1.87 2.54 0.07 1.34 -7.23 0.07 -4.65 120.40 114.42 2x5a s VAL 103 Ca 0.11 -1.77 0.04 0.00 -1.81 0.00 0.00 61.98 58.55 2x5a s VAL 103 Cb -0.17 -2.95 -0.03 0.00 0.56 0.00 0.00 36.38 33.79 2x5a s VAL 103 CO -0.29 -0.09 -0.11 -0.31 -0.31 0.00 0.00 175.10 173.99 2x5a s TYR 104 N -2.54 0.99 0.02 2.82 2.02 -0.71 -0.32 117.35 119.63 2x5a s TYR 104 Ca 0.39 -0.52 0.05 0.00 -0.37 0.00 0.00 57.07 56.61 2x5a s TYR 104 Cb 0.02 -0.56 -0.02 0.00 -0.40 0.00 0.00 41.96 41.00 2x5a s TYR 104 CO 0.22 -0.01 -0.14 0.00 -1.57 0.00 0.00 175.55 174.05 2x5a s ALA 105 N -1.59 1.15 -0.97 3.71 0.00 -0.40 -0.65 121.76 123.00 2x5a s ALA 105 Ca -0.03 -0.72 -0.04 0.00 0.00 0.00 0.00 51.96 51.18 2x5a s ALA 105 Cb -0.08 -0.23 0.25 0.00 0.00 0.00 0.00 23.12 23.06 2x5a s ALA 105 CO 0.01 0.25 0.98 -0.25 0.00 0.00 0.00 175.76 176.75 2x5a n ASP 106 N 2.27 4.87 -4.80 0.00 8.00 -0.61 0.23 116.55 126.52 2x5a n ASP 106 Ca -0.16 -3.17 -0.34 0.00 0.71 0.00 0.00 54.79 51.83 2x5a n ASP 106 Cb 0.55 -1.15 -0.04 0.00 -0.02 0.00 0.00 41.12 40.46 2x5a n ASP 106 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2x5a s LEU 107 N -1.64 3.85 -0.10 0.64 1.43 -0.80 -2.08 118.68 119.97 2x5a s LEU 107 Ca 0.30 1.89 0.04 0.00 -1.03 0.00 0.00 54.13 55.33 2x5a s LEU 107 Cb -0.05 -4.56 -0.00 0.00 0.03 0.00 0.00 46.19 41.61 2x5a s LEU 107 CO -0.07 -0.73 -0.23 0.00 0.23 0.00 0.00 176.35 175.55 2x5a s ALA 108 N -2.03 2.23 -0.24 4.21 0.00 0.47 -1.15 121.76 125.26 2x5a s ALA 108 Ca 0.66 -0.97 -0.28 0.00 0.00 0.00 0.00 51.96 51.37 2x5a s ALA 108 Cb -0.15 -0.84 -0.04 0.00 0.00 0.00 0.00 23.12 22.09 2x5a s ALA 108 CO 0.19 0.30 1.97 -1.17 0.00 0.00 0.00 175.76 177.06 2x5a s LEU 109 N 0.27 3.61 -0.22 0.00 1.98 -1.26 -0.60 118.68 122.44 2x5a s LEU 109 Ca -0.16 1.72 -0.20 0.00 -2.89 0.00 0.00 54.13 52.60 2x5a s LEU 109 Cb -0.17 -3.52 -0.17 0.00 0.66 0.00 0.00 46.19 42.98 2x5a s LEU 109 CO 0.08 -1.70 0.08 0.00 -1.89 0.00 0.00 176.35 172.92 2x5a n ALA 110 N 10.42 0.88 -3.57 5.97 0.00 -0.63 -4.86 120.51 128.72 2x5a n ALA 110 Ca 0.25 -0.63 -0.11 0.00 0.00 0.00 0.00 53.44 52.95 2x5a n ALA 110 Cb 0.45 -0.40 -0.09 0.00 0.00 0.00 0.00 19.45 19.41 2x5a n ALA 110 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2x5a s ASP 111 N -7.00 -0.65 -0.01 0.00 2.15 -0.67 -4.99 116.67 105.51 2x5a s ASP 111 Ca -0.31 1.14 0.04 0.00 0.43 0.00 0.00 52.55 53.85 2x5a s ASP 111 Cb 0.08 1.08 -0.01 0.00 -0.30 0.00 0.00 42.92 43.77 2x5a s ASP 111 CO 0.57 -0.20 -0.13 0.54 -0.17 0.00 0.00 175.17 175.77 2x5a s VAL 112 N 0.93 1.02 -0.00 1.11 0.11 -1.26 0.94 120.40 123.24 2x5a s VAL 112 Ca -0.05 -0.58 0.04 0.00 -2.93 0.00 0.00 61.98 58.46 2x5a s VAL 112 Cb -0.05 -0.86 -0.03 0.00 -1.53 0.00 0.00 36.38 33.91 2x5a s VAL 112 CO -0.08 0.27 -0.09 0.42 -3.33 0.00 0.00 175.10 172.29 2x5a s THR 113 N -0.34 3.46 -0.12 5.04 -4.23 -1.11 -5.03 115.64 113.30 2x5a s THR 113 Ca 0.05 -0.80 -0.02 0.00 -1.18 0.00 0.00 61.69 59.74 2x5a s THR 113 Cb -0.05 -2.47 0.04 0.00 1.34 0.00 0.00 72.50 71.35 2x5a s THR 113 CO -0.00 0.43 0.00 -0.75 -0.54 0.00 0.00 174.62 173.75 2x5a s LYS 114 N -1.29 0.78 0.26 3.99 2.20 -1.26 -4.66 119.74 119.76 2x5a s LYS 114 Ca 0.16 -0.14 0.05 0.00 -0.36 0.00 0.00 55.97 55.68 2x5a s LYS 114 Cb -0.11 -1.47 -0.06 0.00 -1.51 0.00 0.00 37.83 34.68 2x5a s LYS 114 CO 0.06 -0.42 -0.03 0.95 -0.36 0.00 0.00 175.35 175.55 2x5a s THR 115 N 1.89 1.38 -0.37 3.43 -4.23 -1.26 -5.08 115.64 111.40 2x5a s THR 115 Ca 0.03 -2.08 0.10 0.00 -1.18 0.00 0.00 61.69 58.55 2x5a s THR 115 Cb -0.14 -2.41 0.65 0.00 1.34 0.00 0.00 72.50 71.94 2x5a s THR 115 CO -0.07 -0.31 1.59 -0.62 -0.54 0.00 0.00 174.62 174.67 2x5a n GLU 116 N -0.52 3.71 -3.07 3.99 1.02 -1.26 -4.75 120.64 119.76 2x5a n GLU 116 Ca -0.05 -2.57 -0.44 0.00 -0.02 0.00 0.00 57.16 54.07 2x5a n GLU 116 Cb 0.64 -2.10 -0.00 0.00 -0.02 0.00 0.00 31.44 29.95 2x5a n GLU 116 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 2x5a s GLY 117 N -0.70 2.59 -0.10 0.62 0.00 -1.26 -5.01 107.32 103.47 2x5a s GLY 117 Ca 0.45 -3.42 -0.16 0.00 0.00 0.00 0.00 44.72 41.59 2x5a s GLY 117 CO 0.12 1.80 0.40 -0.19 0.00 0.00 0.00 173.10 175.23 2x5a s TYR 118 N 0.85 3.55 0.51 1.90 1.51 -1.26 -4.65 117.35 119.76 2x5a s TYR 118 Ca 0.37 0.82 -0.06 0.00 -1.01 0.00 0.00 57.07 57.19 2x5a s TYR 118 Cb -0.05 -2.41 0.11 0.00 -0.11 0.00 0.00 41.96 39.50 2x5a s TYR 118 CO -0.04 0.32 0.69 0.41 -1.11 0.00 0.00 175.55 175.82 2x5a n GLY 119 N 2.92 -0.53 3.64 0.71 0.00 -1.12 -4.85 105.19 105.96 2x5a n GLY 119 Ca -0.10 -1.82 -0.54 0.00 0.00 0.00 0.00 46.02 43.56 2x5a n GLY 119 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2x5a n LYS 120 N -2.40 1.14 -3.18 1.61 5.02 -1.26 -1.30 118.16 117.79 2x5a n LYS 120 Ca 0.10 0.42 -0.22 0.00 -2.02 0.00 0.00 58.31 56.58 2x5a n LYS 120 Cb 0.34 -2.07 0.05 0.00 -0.02 0.00 0.00 35.03 33.32 2x5a n LYS 120 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2x5a n ASN 121 N 3.64 -6.00 -1.95 4.39 4.13 -1.26 -3.08 115.26 115.13 2x5a n ASN 121 Ca 0.22 -0.36 -0.15 0.00 1.68 0.00 0.00 54.58 55.96 2x5a n ASN 121 Cb 0.17 -4.75 0.01 0.00 -1.54 0.00 0.00 39.78 33.67 2x5a n ASN 121 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2x5a n GLY 122 N -1.65 -0.22 3.68 7.41 0.00 -0.64 -2.50 105.19 111.27 2x5a n GLY 122 Ca -0.07 -0.20 -0.30 0.00 0.00 0.00 0.00 46.02 45.46 2x5a n GLY 122 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2x5a s THR 123 N -2.86 2.54 0.07 2.61 -1.32 -0.42 -4.75 115.64 111.50 2x5a s THR 123 Ca 0.10 0.18 0.08 0.00 -1.21 0.00 0.00 61.69 60.84 2x5a s THR 123 Cb -0.04 -2.47 -0.03 0.00 -1.51 0.00 0.00 72.50 68.45 2x5a s THR 123 CO 0.12 -0.23 -0.23 -0.36 -2.21 0.00 0.00 174.62 171.71 2x5a s PHE 124 N -2.78 2.00 -0.29 9.09 0.08 -1.26 -2.79 117.98 122.04 2x5a s PHE 124 Ca 0.65 -0.39 -0.02 0.00 0.12 0.00 0.00 56.93 57.29 2x5a s PHE 124 Cb -0.20 -1.16 0.09 0.00 -0.57 0.00 0.00 43.02 41.18 2x5a s PHE 124 CO 0.58 0.15 0.09 0.45 -0.10 0.00 0.00 175.22 176.39 2x5a s SER 125 N -1.44 3.77 0.08 1.36 0.15 -1.26 -2.37 113.70 114.00 2x5a s SER 125 Ca 0.09 -1.44 0.02 0.00 0.70 0.00 0.00 55.95 55.31 2x5a s SER 125 Cb -0.09 -0.75 -0.04 0.00 -1.71 0.00 0.00 66.02 63.43 2x5a s SER 125 CO 0.03 -0.40 -0.06 -1.61 1.20 0.00 0.00 173.24 172.40 2x5a s GLU 126 N 1.73 0.73 -0.20 5.44 0.41 0.36 -4.94 118.70 122.24 2x5a s GLU 126 Ca 0.08 -1.18 -0.07 0.00 -0.41 0.00 0.00 54.97 53.39 2x5a s GLU 126 Cb -0.17 -0.18 -0.04 0.00 -1.78 0.00 0.00 34.13 31.96 2x5a s GLU 126 CO -0.24 -0.01 0.05 0.15 -0.49 0.00 0.00 175.26 174.72 2x5a s LYS 127 N -3.27 3.84 -0.21 1.61 1.02 -1.26 0.15 119.74 121.62 2x5a s LYS 127 Ca 0.06 -0.41 -0.03 0.00 0.02 0.00 0.00 55.97 55.61 2x5a s LYS 127 Cb 0.02 -3.21 0.00 0.00 -0.52 0.00 0.00 37.83 34.12 2x5a s LYS 127 CO -0.04 0.14 -0.08 -1.50 -0.92 0.00 0.00 175.35 172.95 2x5a s ILE 128 N 0.72 3.06 -0.07 2.17 2.07 -0.21 -2.76 121.20 126.18 2x5a s ILE 128 Ca 0.03 -0.64 -0.01 0.00 -1.41 0.00 0.00 60.65 58.62 2x5a s ILE 128 Cb -0.13 -2.39 -0.03 0.00 0.13 0.00 0.00 42.46 40.03 2x5a s ILE 128 CO 0.02 0.42 0.00 -0.89 -1.91 0.00 0.00 174.94 172.59 2x5a s THR 129 N 1.43 4.30 0.07 4.00 2.01 0.27 -0.59 115.64 127.12 2x5a s THR 129 Ca 0.05 -0.31 0.07 0.00 0.31 0.00 0.00 61.69 61.81 2x5a s THR 129 Cb -0.14 -2.83 -0.03 0.00 0.01 0.00 0.00 72.50 69.51 2x5a s THR 129 CO -0.05 0.56 -0.19 -0.36 -0.69 0.00 0.00 174.62 173.89 2x5a s PHE 130 N -0.93 1.61 -0.10 4.92 0.40 -0.25 -1.61 117.98 122.03 2x5a s PHE 130 Ca 0.15 -0.39 -0.05 0.00 -0.60 0.00 0.00 56.93 56.03 2x5a s PHE 130 Cb -0.11 -0.93 -0.04 0.00 0.51 0.00 0.00 43.02 42.45 2x5a s PHE 130 CO 0.04 0.11 0.10 -0.51 0.70 0.00 0.00 175.22 175.67 2x5a s ASP 131 N -1.49 6.03 -0.15 1.36 1.01 0.23 -2.41 116.67 121.26 2x5a s ASP 131 Ca 0.05 0.36 -0.12 0.00 0.71 0.00 0.00 52.55 53.54 2x5a s ASP 131 Cb -0.09 -1.88 -0.05 0.00 1.01 0.00 0.00 42.92 41.92 2x5a s ASP 131 CO 0.03 0.39 0.24 -0.63 0.21 0.00 0.00 175.17 175.40 2x5a s ILE 132 N -1.01 5.34 -0.08 0.77 1.01 -1.26 -0.40 121.20 125.56 2x5a s ILE 132 Ca 0.16 0.43 -0.06 0.00 0.00 0.00 0.00 60.65 61.17 2x5a s ILE 132 Cb -0.12 -3.56 -0.02 0.00 0.01 0.00 0.00 42.46 38.77 2x5a s ILE 132 CO 0.05 0.46 -0.12 -0.38 0.00 0.00 0.00 174.94 174.94 2x5a n ILE 133 N 3.14 0.76 -4.02 2.92 5.41 -0.89 -4.94 119.36 121.75 2x5a n ILE 133 Ca -0.14 0.34 -0.25 0.00 1.00 0.00 0.00 62.75 63.69 2x5a n ILE 133 Cb 0.52 -1.96 -0.17 0.00 -0.71 0.00 0.00 39.64 37.32 2x5a n ILE 133 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 176.55 175.66 2x5a s THR 134 N -1.77 0.89 -0.32 1.39 2.01 -1.25 -4.99 115.64 111.61 2x5a s THR 134 Ca -0.10 -0.24 -0.11 0.00 0.31 0.00 0.00 61.69 61.55 2x5a s THR 134 Cb 0.01 -0.92 -0.02 0.00 0.01 0.00 0.00 72.50 71.59 2x5a s THR 134 CO 0.15 0.34 0.20 -0.75 -0.69 0.00 0.00 174.62 173.86 2x5a s LYS 135 N 1.51 3.50 -0.05 4.92 2.20 -1.26 -1.58 119.74 128.98 2x5a s LYS 135 Ca 0.00 -0.63 -0.04 0.00 -0.36 0.00 0.00 55.97 54.94 2x5a s LYS 135 Cb -0.13 -3.68 0.02 0.00 -1.51 0.00 0.00 37.83 32.52 2x5a s LYS 135 CO -0.05 -0.39 0.08 0.91 -0.36 0.00 0.00 175.35 175.54 2x5a n TRP 136 N 5.05 -4.62 -3.77 4.03 5.03 -1.12 -4.49 117.44 117.55 2x5a n TRP 136 Ca -0.13 2.73 -0.14 0.00 3.03 0.00 0.00 57.50 62.99 2x5a n TRP 136 Cb 0.50 -3.80 -0.15 0.00 -1.03 0.00 0.00 31.31 26.83 2x5a n TRP 136 CO 0.00 0.00 0.00 1.52 -0.03 0.00 0.00 177.69 179.18 2x5a s TYR 137 N -0.61 -0.09 0.47 -5.99 -0.85 0.17 -1.17 117.35 109.29 2x5a s TYR 137 Ca -0.09 0.33 -0.20 0.00 -0.52 0.00 0.00 57.07 56.59 2x5a s TYR 137 Cb 0.01 -0.12 -0.09 0.00 0.38 0.00 0.00 41.96 42.13 2x5a s TYR 137 CO 0.25 -0.13 1.00 0.95 -1.52 0.00 0.00 175.55 176.10 2x5a s THR 138 N 1.01 4.12 -0.63 -3.49 -4.23 0.15 -1.73 115.64 110.83 2x5a s THR 138 Ca -0.08 1.27 0.06 0.00 -1.18 0.00 0.00 61.69 61.76 2x5a s THR 138 Cb -0.11 -3.53 0.25 0.00 1.34 0.00 0.00 72.50 70.45 2x5a s THR 138 CO -0.04 -0.33 0.74 0.00 -0.54 0.00 0.00 174.62 174.44 2x5a n TYR 139 N -0.95 3.51 -2.58 3.99 9.36 -1.26 -2.85 117.16 126.39 2x5a n TYR 139 Ca 0.08 -4.14 -0.32 0.00 3.32 0.00 0.00 57.90 56.84 2x5a n TYR 139 Cb 0.53 -0.55 -0.05 0.00 -0.63 0.00 0.00 39.34 38.65 2x5a n TYR 139 CO 0.00 0.00 0.00 -1.21 0.22 0.00 0.00 176.86 175.87 2x5a s GLU 140 N -2.43 4.02 -0.30 2.98 2.02 0.17 -4.87 118.70 120.28 2x5a s GLU 140 Ca 0.40 0.96 -0.18 0.00 0.02 0.00 0.00 54.97 56.17 2x5a s GLU 140 Cb 0.15 -2.18 -0.02 0.00 0.10 0.00 0.00 34.13 32.19 2x5a s GLU 140 CO -0.01 -0.17 0.51 1.21 0.02 0.00 0.00 175.26 176.82 2x5a s ASN 141 N -2.79 6.37 -0.21 -0.19 2.47 -1.26 -0.03 114.94 119.29 2x5a s ASN 141 Ca 0.59 0.25 -0.15 0.00 0.42 0.00 0.00 52.86 53.97 2x5a s ASN 141 Cb -0.10 -2.27 -0.04 0.00 -1.45 0.00 0.00 41.25 37.39 2x5a s ASN 141 CO 0.26 -0.38 0.37 -0.22 -3.72 0.00 0.00 177.10 173.41 2x5a s LEU 142 N 2.35 4.14 0.07 3.21 1.98 -0.67 -4.90 118.68 124.87 2x5a s LEU 142 Ca 0.20 0.46 0.04 0.00 -2.89 0.00 0.00 54.13 51.93 2x5a s LEU 142 Cb -0.15 -2.46 -0.03 0.00 0.66 0.00 0.00 46.19 44.20 2x5a s LEU 142 CO 0.11 -0.07 -0.11 -0.89 -1.89 0.00 0.00 176.35 173.51 2x5a s THR 143 N 1.33 0.85 0.84 3.68 2.01 -1.26 -3.68 115.64 119.41 2x5a s THR 143 Ca 0.17 -1.33 -0.11 0.00 0.31 0.00 0.00 61.69 60.74 2x5a s THR 143 Cb -0.15 -0.99 0.10 0.00 0.01 0.00 0.00 72.50 71.47 2x5a s THR 143 CO 0.08 -0.39 1.09 0.72 -0.69 0.00 0.00 174.62 175.43 2x5a s PHE 144 N -1.68 2.42 0.04 4.92 -0.71 -1.26 -4.63 117.98 117.08 2x5a s PHE 144 Ca -0.03 1.41 0.08 0.00 -1.04 0.00 0.00 56.93 57.35 2x5a s PHE 144 Cb -0.08 -3.11 -0.03 0.00 -1.21 0.00 0.00 43.02 38.59 2x5a s PHE 144 CO 0.01 -2.13 -0.20 -0.51 -1.34 0.00 0.00 175.22 171.04 2x5a s ASP 145 N -3.39 3.62 0.09 1.98 1.01 0.11 -4.97 116.67 115.12 2x5a s ASP 145 Ca 0.62 -0.46 0.03 0.00 0.71 0.00 0.00 52.55 53.45 2x5a s ASP 145 Cb -0.18 -0.53 -0.04 0.00 1.01 0.00 0.00 42.92 43.18 2x5a s ASP 145 CO 0.57 0.26 0.10 -0.75 0.21 0.00 0.00 175.17 175.56 2x5a s LYS 146 N -1.34 2.94 -0.16 8.23 2.47 -1.26 -2.25 119.74 128.38 2x5a s LYS 146 Ca 0.14 -0.68 -0.03 0.00 -1.56 0.00 0.00 55.97 53.83 2x5a s LYS 146 Cb -0.10 -2.75 -0.02 0.00 -1.46 0.00 0.00 37.83 33.49 2x5a s LYS 146 CO 0.04 0.56 -0.05 0.42 0.16 0.00 0.00 175.35 176.48 2x5a s ILE 147 N -1.43 3.77 -0.03 5.43 -1.09 -1.25 -5.02 121.20 121.57 2x5a s ILE 147 Ca 0.30 -0.40 0.01 0.00 -2.23 0.00 0.00 60.65 58.33 2x5a s ILE 147 Cb -0.12 -2.65 -0.03 0.00 -1.58 0.00 0.00 42.46 38.08 2x5a s ILE 147 CO 0.23 0.49 -0.03 -1.10 -1.23 0.00 0.00 174.94 173.30 2x5a s GLN 148 N 0.42 2.75 -0.01 2.79 -0.21 -1.26 -4.63 119.66 119.50 2x5a s GLN 148 Ca -0.05 -0.59 -0.30 0.00 0.02 0.00 0.00 55.36 54.44 2x5a s GLN 148 Cb -0.14 -2.63 -0.04 0.00 1.00 0.00 0.00 33.01 31.19 2x5a s GLN 148 CO 0.03 0.64 1.20 -0.80 -2.12 0.00 0.00 175.29 174.24 2x5a s ASN 149 N -1.26 7.06 0.45 5.90 -0.87 -1.26 -5.02 114.94 119.94 2x5a s ASN 149 Ca 0.16 1.89 -0.24 0.00 -1.57 0.00 0.00 52.86 53.10 2x5a s ASN 149 Cb -0.11 -2.57 -0.07 0.00 -0.02 0.00 0.00 41.25 38.48 2x5a s ASN 149 CO 0.06 -0.54 1.26 -0.83 -2.57 0.00 0.00 177.10 174.49 2x5a s GLY 150 N 1.35 2.87 0.56 0.66 0.00 -0.50 -4.94 107.32 107.32 2x5a s GLY 150 Ca 0.57 1.15 -0.21 0.00 0.00 0.00 0.00 44.72 46.23 2x5a s GLY 150 CO 0.25 1.68 1.29 0.54 0.00 0.00 0.00 173.10 176.86 2x5a s LYS 151 N -2.51 3.08 -0.14 2.90 1.02 -1.26 -4.34 119.74 118.49 2x5a s LYS 151 Ca 0.62 2.06 -0.20 0.00 0.02 0.00 0.00 55.97 58.47 2x5a s LYS 151 Cb -0.35 -2.14 -0.04 0.00 -0.52 0.00 0.00 37.83 34.78 2x5a s LYS 151 CO 0.44 -1.18 0.55 0.08 -0.92 0.00 0.00 175.35 174.32 2x5a s VAL 152 N -1.41 5.12 -0.02 3.17 1.01 -1.26 -4.84 120.40 122.17 2x5a s VAL 152 Ca 0.74 1.08 0.04 0.00 0.00 0.00 0.00 61.98 63.84 2x5a s VAL 152 Cb -0.36 -3.88 -0.01 0.00 0.00 0.00 0.00 36.38 32.13 2x5a s VAL 152 CO 0.42 0.24 -0.13 -0.63 0.00 0.00 0.00 175.10 174.99 2x5a s ILE 153 N 1.10 1.09 -0.07 2.22 1.09 -1.26 -5.06 121.20 120.31 2x5a s ILE 153 Ca 0.28 -0.57 -0.30 0.00 -1.10 0.00 0.00 60.65 58.97 2x5a s ILE 153 Cb -0.16 -0.92 -0.04 0.00 -1.06 0.00 0.00 42.46 40.28 2x5a s ILE 153 CO 0.11 0.31 1.39 0.00 -0.10 0.00 0.00 174.94 176.65 2x5a s ALA 154 N -0.17 3.60 0.00 9.38 0.00 -1.26 -2.04 121.76 131.27 2x5a s ALA 154 Ca 0.02 0.73 0.00 0.00 0.00 0.00 0.00 51.96 52.71 2x5a s ALA 154 Cb -0.07 -3.63 0.00 0.00 0.00 0.00 0.00 23.12 19.43 2x5a s ALA 154 CO 0.00 -1.08 0.00 0.41 0.00 0.00 0.00 175.76 175.09 2x5a n GLY 155 N 3.70 2.84 0.08 0.00 0.00 -1.26 -4.82 105.19 105.74 2x5a n GLY 155 Ca 0.14 -0.08 -0.09 0.00 0.00 0.00 0.00 46.02 45.99 2x5a n GLY 155 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2x5a n MET 156 N 0.00 0.64 -2.87 1.61 2.00 -1.16 -4.69 117.12 112.66 2x5a n MET 156 Ca 0.00 0.24 -0.21 0.00 0.00 0.00 0.00 57.70 57.73 2x5a n MET 156 Cb 0.00 -1.74 0.08 0.00 0.00 0.00 0.00 33.22 31.56 2x5a n MET 156 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 175.97 174.85 2x5a s SER 157 N -5.98 4.83 -0.61 7.83 0.01 -0.86 -0.55 113.70 118.37 2x5a s SER 157 Ca -0.06 -0.66 -0.17 0.00 1.31 0.00 0.00 55.95 56.38 2x5a s SER 157 Cb 0.08 0.16 0.14 0.00 0.21 0.00 0.00 66.02 66.60 2x5a s SER 157 CO 0.83 -1.52 0.62 -0.75 0.41 0.00 0.00 173.24 172.82 2x5a s LYS 158 N -4.83 3.11 -0.00 12.44 2.20 -1.25 -4.58 119.74 126.82 2x5a s LYS 158 Ca 0.63 -1.71 -0.14 0.00 -0.36 0.00 0.00 55.97 54.39 2x5a s LYS 158 Cb -0.06 -4.33 0.02 0.00 -1.51 0.00 0.00 37.83 31.95 2x5a s LYS 158 CO 0.41 -1.40 0.29 0.96 -0.36 0.00 0.00 175.35 175.25 2x5a s ILE 159 N 1.73 0.06 -0.81 5.43 -0.00 -1.26 -4.91 121.20 121.45 2x5a s ILE 159 Ca 0.08 -0.53 -0.12 0.00 -0.00 0.00 0.00 60.65 60.09 2x5a s ILE 159 Cb -0.25 -0.64 0.21 0.00 -0.00 0.00 0.00 42.46 41.79 2x5a s ILE 159 CO 0.02 -0.29 0.73 -0.31 -0.00 0.00 0.00 174.94 175.08 2x5a s TYR 160 N -1.50 3.73 0.06 1.37 2.02 -1.26 -4.13 117.35 117.64 2x5a s TYR 160 Ca -0.13 -2.16 0.00 0.00 -0.37 0.00 0.00 57.07 54.42 2x5a s TYR 160 Cb -0.05 -3.71 0.00 0.00 -0.40 0.00 0.00 41.96 37.80 2x5a s TYR 160 CO 0.03 -0.96 0.02 0.41 -1.57 0.00 0.00 175.55 173.48 2x5a n GLY 161 N 3.81 3.57 7.00 0.71 0.00 -1.24 -4.45 105.19 114.59 2x5a n GLY 161 Ca 0.13 -2.21 0.00 0.00 0.00 0.00 0.00 46.02 43.95 2x5a n GLY 161 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2x5a n GLY 162 N 4.25 2.83 3.73 -0.02 0.00 -1.26 -2.19 105.19 112.52 2x5a n GLY 162 Ca -0.01 -0.28 -0.42 0.00 0.00 0.00 0.00 46.02 45.31 2x5a n GLY 162 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2x5a s THR 163 N 0.00 2.68 0.40 2.61 -4.23 -1.26 -4.74 115.64 111.10 2x5a s THR 163 Ca 0.00 0.53 -0.27 0.00 -1.18 0.00 0.00 61.69 60.77 2x5a s THR 163 Cb 0.00 -3.34 -0.09 0.00 1.34 0.00 0.00 72.50 70.41 2x5a s THR 163 CO 0.00 0.06 1.34 0.00 -0.54 0.00 0.00 174.62 175.48 2x5a s ALA 164 N 0.60 3.32 -0.95 3.99 0.00 -1.26 -1.84 121.76 125.62 2x5a s ALA 164 Ca 0.65 1.30 -0.03 0.00 0.00 0.00 0.00 51.96 53.88 2x5a s ALA 164 Cb -0.42 -3.51 0.22 0.00 0.00 0.00 0.00 23.12 19.40 2x5a s ALA 164 CO 0.37 -0.87 2.22 -0.35 0.00 0.00 0.00 175.76 177.13 2x5a n PRO 165 N 0.22 4.02 0.00 0.00 -0.04 -1.26 -5.05 135.00 132.89 2x5a n PRO 165 Ca 0.03 -3.61 0.00 0.00 -0.04 0.00 0.00 63.50 59.88 2x5a n PRO 165 Cb 0.43 -2.41 0.00 0.00 -0.04 0.00 0.00 33.50 31.48 2x5a n PRO 165 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2x5a n GLY 166 N 0.53 -1.98 3.55 0.55 0.00 -0.77 -4.95 105.19 102.12 2x5a n GLY 166 Ca 0.53 -1.48 -0.08 0.00 0.00 0.00 0.00 46.02 44.99 2x5a n GLY 166 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2x5a s ASN 167 N -3.28 -0.83 -0.10 1.61 4.22 -0.93 -4.77 114.94 110.86 2x5a s ASN 167 Ca 0.00 1.36 0.01 0.00 -2.14 0.00 0.00 52.86 52.09 2x5a s ASN 167 Cb 0.00 1.25 0.02 0.00 1.28 0.00 0.00 41.25 43.80 2x5a s ASN 167 CO 0.00 -0.23 -0.13 -0.72 -2.04 0.00 0.00 177.10 173.99 2x5a s TYR 168 N 1.47 1.76 -0.13 1.54 -0.85 -1.26 -3.68 117.35 116.20 2x5a s TYR 168 Ca -0.09 -0.82 -0.08 0.00 -0.52 0.00 0.00 57.07 55.55 2x5a s TYR 168 Cb -0.06 -1.31 -0.04 0.00 0.38 0.00 0.00 41.96 40.93 2x5a s TYR 168 CO -0.17 -0.46 0.16 0.15 -1.52 0.00 0.00 175.55 173.71 2x5a s LYS 169 N 1.14 3.65 -0.26 -3.49 -0.14 -1.26 -5.08 119.74 114.29 2x5a s LYS 169 Ca -0.04 -0.11 -0.25 0.00 -1.36 0.00 0.00 55.97 54.20 2x5a s LYS 169 Cb -0.14 -3.25 -0.00 0.00 -1.68 0.00 0.00 37.83 32.76 2x5a s LYS 169 CO -0.03 0.66 0.86 0.71 -0.76 0.00 0.00 175.35 176.79 2x5a s TYR 170 N -0.70 3.27 0.07 3.18 2.02 -1.26 -4.42 117.35 119.52 2x5a s TYR 170 Ca 0.14 1.09 0.04 0.00 -0.37 0.00 0.00 57.07 57.97 2x5a s TYR 170 Cb -0.12 -3.16 -0.03 0.00 -0.40 0.00 0.00 41.96 38.25 2x5a s TYR 170 CO 0.03 -0.48 -0.11 0.42 -1.57 0.00 0.00 175.55 173.84 2x5a s ILE 171 N 2.97 0.90 -0.53 2.71 1.09 -1.26 -4.88 121.20 122.20 2x5a s ILE 171 Ca 0.36 -1.29 -0.27 0.00 -1.10 0.00 0.00 60.65 58.35 2x5a s ILE 171 Cb -0.15 -0.97 -0.02 0.00 -1.06 0.00 0.00 42.46 40.26 2x5a s ILE 171 CO 0.09 -0.33 1.84 -0.75 -0.10 0.00 0.00 174.94 175.69 2x5a s LYS 172 N -1.87 2.83 0.00 2.79 2.47 -1.26 -1.44 119.74 123.27 2x5a s LYS 172 Ca -0.03 0.85 0.00 0.00 -1.56 0.00 0.00 55.97 55.23 2x5a s LYS 172 Cb -0.09 -4.33 0.00 0.00 -1.46 0.00 0.00 37.83 31.95 2x5a s LYS 172 CO 0.01 -2.48 0.00 0.41 0.16 0.00 0.00 175.35 173.46 2x5a n GLY 173 N 5.61 3.03 0.10 5.54 0.00 -1.26 -4.82 105.19 113.38 2x5a n GLY 173 Ca 0.21 -0.83 -0.18 0.00 0.00 0.00 0.00 46.02 45.22 2x5a n GLY 173 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2x5a h THR 174 N 0.00 1.36 0.00 2.61 1.35 -1.96 -3.49 112.91 112.78 2x5a h THR 174 Ca 0.00 -2.34 0.00 0.00 -0.55 0.00 0.00 66.41 63.52 2x5a h THR 174 Cb 0.00 2.91 0.00 0.00 -1.73 0.00 0.00 68.15 69.33 2x5a h THR 174 CO 0.00 0.56 0.00 -0.24 -0.25 0.00 0.00 175.52 175.59 2x5a n SER 175 N -4.35 0.00 -4.09 5.36 2.88 -0.52 -4.40 113.62 108.50 2x5a n SER 175 Ca -0.20 0.00 -0.32 0.00 -1.33 0.00 0.00 58.87 57.02 2x5a n SER 175 Cb 0.67 0.00 -0.16 0.00 -0.75 0.00 0.00 64.21 63.97 2x5a n SER 175 CO 0.00 0.00 0.00 -0.72 -1.23 0.00 0.00 175.04 173.09 2x5a s TYR 176 N 0.00 2.65 -0.24 0.66 -0.85 -1.26 -4.39 117.35 113.92 2x5a s TYR 176 Ca 0.00 -1.59 -0.02 0.00 -0.52 0.00 0.00 57.07 54.94 2x5a s TYR 176 Cb 0.00 -1.83 0.02 0.00 0.38 0.00 0.00 41.96 40.53 2x5a s TYR 176 CO 0.00 -0.78 -0.06 0.95 -1.52 0.00 0.00 175.55 174.14 2x5a s THR 177 N 1.33 2.89 0.27 -3.49 -4.23 0.28 -4.88 115.64 107.81 2x5a s THR 177 Ca 0.04 -0.98 -0.30 0.00 -1.18 0.00 0.00 61.69 59.27 2x5a s THR 177 Cb -0.14 -2.45 -0.14 0.00 1.34 0.00 0.00 72.50 71.12 2x5a s THR 177 CO -0.12 0.22 1.22 -1.22 -0.54 0.00 0.00 174.62 174.19 2x5a n TYR 178 N 4.68 1.77 0.23 3.99 4.01 -1.26 -3.79 117.16 126.79 2x5a n TYR 178 Ca -0.17 0.58 -0.13 0.00 -0.16 0.00 0.00 57.90 58.02 2x5a n TYR 178 Cb 0.47 -2.36 -0.07 0.00 -0.31 0.00 0.00 39.34 37.07 2x5a n TYR 178 CO 0.00 0.00 0.00 0.10 -0.46 0.00 0.00 176.86 176.50 2x5a h TYR 179 N 3.02 -0.57 -0.07 -0.72 -0.00 -1.88 -3.47 116.97 113.27 2x5a h TYR 179 Ca -0.43 -0.01 0.00 0.00 0.00 0.00 0.00 58.73 58.28 2x5a h TYR 179 Cb 1.31 0.19 0.00 0.00 0.00 0.00 0.00 36.73 38.23 2x5a h TYR 179 CO 0.52 -0.25 0.00 0.41 -0.00 0.00 0.00 178.16 178.84 2x5a n GLY 180 N -0.38 1.98 3.20 0.10 0.00 -1.26 -1.41 105.19 107.42 2x5a n GLY 180 Ca -0.10 -0.40 -0.25 0.00 0.00 0.00 0.00 46.02 45.28 2x5a n GLY 180 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2x5a s GLU 181 N 1.83 1.35 -0.05 1.61 2.02 -1.26 -5.02 118.70 119.19 2x5a s GLU 181 Ca 0.00 -0.78 -0.30 0.00 0.02 0.00 0.00 54.97 53.91 2x5a s GLU 181 Cb 0.00 -1.38 -0.06 0.00 0.10 0.00 0.00 34.13 32.79 2x5a s GLU 181 CO 0.00 0.36 1.78 -1.54 0.02 0.00 0.00 175.26 175.88 2x5a s SER 182 N -0.84 6.52 -0.92 -0.19 1.04 -1.26 -2.31 113.70 115.74 2x5a s SER 182 Ca 0.06 2.31 -0.02 0.00 0.48 0.00 0.00 55.95 58.78 2x5a s SER 182 Cb -0.08 -2.53 -0.02 0.00 0.10 0.00 0.00 66.02 63.49 2x5a s SER 182 CO 0.01 -1.04 0.78 -0.67 0.98 0.00 0.00 173.24 173.30 2x5a n ASP 183 N 7.57 -3.46 0.24 7.02 2.03 -1.26 -4.92 116.55 123.77 2x5a n ASP 183 Ca 0.19 -0.53 0.16 0.00 0.52 0.00 0.00 54.79 55.13 2x5a n ASP 183 Cb 0.43 -4.26 0.76 0.00 -0.72 0.00 0.00 41.12 37.33 2x5a n ASP 183 CO 0.00 0.00 0.00 -0.29 -1.92 0.00 0.00 177.20 174.99 2x5a h ILE 184 N -1.28 0.00 0.00 5.18 6.09 -1.82 -2.91 117.51 122.77 2x5a h ILE 184 Ca -0.48 -0.21 0.00 0.00 -1.37 0.00 0.00 64.86 62.80 2x5a h ILE 184 Cb 1.26 1.04 0.00 0.00 0.47 0.00 0.00 36.82 39.59 2x5a h ILE 184 CO 0.38 0.00 0.00 -0.67 -3.07 0.00 0.00 178.15 174.79 2x5a n ASP 185 N -2.72 0.10 0.11 2.19 -0.08 -1.26 -2.04 116.55 112.86 2x5a n ASP 185 Ca -0.00 0.54 0.13 0.00 -1.51 0.00 0.00 54.79 53.95 2x5a n ASP 185 Cb 0.17 -0.56 0.37 0.00 2.34 0.00 0.00 41.12 43.44 2x5a n ASP 185 CO 0.00 0.00 0.00 0.08 0.12 0.00 0.00 177.20 177.40 2x5a h ARG 186 N 0.00 0.00 -5.04 -0.67 0.11 -1.90 -3.44 114.38 103.43 2x5a h ARG 186 Ca 0.00 0.00 -0.63 0.00 0.10 0.00 0.00 59.98 59.45 2x5a h ARG 186 Cb 0.09 0.00 -0.15 0.00 1.11 0.00 0.00 29.97 31.01 2x5a h ARG 186 CO 0.00 0.00 -0.43 -0.51 0.10 0.00 0.00 179.97 179.13 2x5a s LEU 187 N -4.67 4.06 -0.08 0.08 1.43 -0.87 -5.06 118.68 113.57 2x5a s LEU 187 Ca 0.10 0.12 -0.03 0.00 -1.03 0.00 0.00 54.13 53.29 2x5a s LEU 187 Cb 0.12 -2.21 0.04 0.00 0.03 0.00 0.00 46.19 44.17 2x5a s LEU 187 CO 0.61 -0.05 0.16 -0.94 0.23 0.00 0.00 176.35 176.35 2x5a s SER 188 N 1.51 0.32 -0.19 2.29 1.04 -1.26 -3.92 113.70 113.49 2x5a s SER 188 Ca 0.10 0.33 -0.03 0.00 0.48 0.00 0.00 55.95 56.82 2x5a s SER 188 Cb -0.15 0.24 -0.01 0.00 0.10 0.00 0.00 66.02 66.20 2x5a s SER 188 CO 0.09 -0.20 -0.06 -0.60 0.98 0.00 0.00 173.24 173.45 2x5a s ARG 189 N 1.75 3.45 -0.66 4.02 3.52 -0.95 -4.94 118.95 125.14 2x5a s ARG 189 Ca -0.03 -0.61 -0.18 0.00 -0.13 0.00 0.00 55.73 54.78 2x5a s ARG 189 Cb -0.12 -2.91 0.12 0.00 -1.56 0.00 0.00 34.95 30.49 2x5a s ARG 189 CO -0.06 -0.00 0.76 -1.58 -0.81 0.00 0.00 175.30 173.61 2x5a s TRP 190 N 0.97 3.11 0.05 5.12 0.52 -1.25 0.06 118.94 127.52 2x5a s TRP 190 Ca -0.00 -1.14 -0.26 0.00 0.02 0.00 0.00 56.10 54.71 2x5a s TRP 190 Cb -0.15 -4.02 -0.05 0.00 -1.15 0.00 0.00 33.47 28.10 2x5a s TRP 190 CO 0.00 -1.28 0.81 0.34 0.02 0.00 0.00 176.95 176.84 2x5a s ASP 191 N 3.45 7.26 -0.30 2.95 -1.08 -1.26 -1.24 116.67 126.45 2x5a s ASP 191 Ca 0.15 1.50 -0.02 0.00 -0.52 0.00 0.00 52.55 53.66 2x5a s ASP 191 Cb -0.20 -2.49 0.05 0.00 -1.46 0.00 0.00 42.92 38.82 2x5a s ASP 191 CO 0.02 -0.02 -0.01 -0.63 0.52 0.00 0.00 175.17 175.06 2x5a s ILE 192 N 0.03 2.97 -0.20 4.11 1.01 -0.75 -4.96 121.20 123.41 2x5a s ILE 192 Ca 0.40 -1.36 0.16 0.00 0.00 0.00 0.00 60.65 59.85 2x5a s ILE 192 Cb -0.21 -2.70 -0.24 0.00 0.01 0.00 0.00 42.46 39.33 2x5a s ILE 192 CO 0.24 -0.08 0.06 0.29 0.00 0.00 0.00 174.94 175.44 2x5a n LYS 193 N 4.62 0.68 -4.29 2.79 5.02 -1.26 -2.07 118.16 123.65 2x5a n LYS 193 Ca -0.13 0.02 -0.20 0.00 -2.02 0.00 0.00 58.31 55.98 2x5a n LYS 193 Cb 0.44 -1.53 -0.11 0.00 -0.02 0.00 0.00 35.03 33.80 2x5a n LYS 193 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 2x5a s GLU 194 N -2.50 1.16 0.09 1.97 0.41 -1.26 -4.86 118.70 113.72 2x5a s GLU 194 Ca -0.13 -1.34 -0.31 0.00 -0.41 0.00 0.00 54.97 52.78 2x5a s GLU 194 Cb 0.06 -1.13 -0.08 0.00 -1.78 0.00 0.00 34.13 31.21 2x5a s GLU 194 CO 0.80 0.22 1.48 -2.00 -0.49 0.00 0.00 175.26 175.28 2x5a s GLU 195 N -2.78 4.27 0.16 1.61 2.12 -1.26 -4.73 118.70 118.09 2x5a s GLU 195 Ca 0.13 2.17 0.08 0.00 0.36 0.00 0.00 54.97 57.71 2x5a s GLU 195 Cb -0.05 -3.36 -0.04 0.00 0.26 0.00 0.00 34.13 30.94 2x5a s GLU 195 CO 0.05 -0.56 -0.09 0.42 -0.54 0.00 0.00 175.26 174.54 2x5a s ILE 196 N 1.67 3.29 -0.16 -3.70 1.09 -0.91 -4.56 121.20 117.92 2x5a s ILE 196 Ca 0.68 -1.53 -0.11 0.00 -1.10 0.00 0.00 60.65 58.58 2x5a s ILE 196 Cb -0.38 -2.61 -0.07 0.00 -1.06 0.00 0.00 42.46 38.34 2x5a s ILE 196 CO 0.30 -0.05 -0.26 2.22 -0.10 0.00 0.00 174.94 177.05 2x5a n PHE 197 N 0.20 0.00 -4.36 3.97 1.16 -1.25 -1.43 117.46 115.75 2x5a n PHE 197 Ca -0.11 0.00 -0.22 0.00 -1.87 0.00 0.00 57.45 55.25 2x5a n PHE 197 Cb 0.55 -0.58 -0.11 0.00 -1.61 0.00 0.00 39.48 37.73 2x5a n PHE 197 CO 0.00 0.00 0.00 -1.54 -1.87 0.00 0.00 176.76 173.35 2x5a s SER 198 N -6.46 2.84 -0.02 5.98 1.04 -1.25 -4.39 113.70 111.45 2x5a s SER 198 Ca -0.25 -0.90 -0.19 0.00 0.48 0.00 0.00 55.95 55.08 2x5a s SER 198 Cb 0.08 -0.18 0.04 0.00 0.10 0.00 0.00 66.02 66.05 2x5a s SER 198 CO 0.34 -0.03 0.42 0.72 0.98 0.00 0.00 173.24 175.66 2x5a s PHE 199 N -2.19 -0.31 -0.67 5.02 -0.71 -1.26 -2.59 117.98 115.27 2x5a s PHE 199 Ca 0.19 0.48 0.05 0.00 -1.04 0.00 0.00 56.93 56.60 2x5a s PHE 199 Cb -0.05 0.19 0.16 0.00 -1.21 0.00 0.00 43.02 42.11 2x5a s PHE 199 CO 0.08 -0.47 0.45 1.41 -1.34 0.00 0.00 175.22 175.35 2x5a s MET 200 N -1.42 2.37 -0.22 1.99 1.75 -0.73 -1.47 119.30 121.58 2x5a s MET 200 Ca -0.12 -3.18 -0.12 0.00 -1.25 0.00 0.00 55.69 51.02 2x5a s MET 200 Cb -0.03 -3.41 -0.05 0.00 2.84 0.00 0.00 34.83 34.18 2x5a s MET 200 CO 0.05 -1.25 0.21 0.20 -0.65 0.00 0.00 175.02 173.59 2x5a s GLY 201 N -1.17 2.04 -0.21 2.11 0.00 -1.01 -2.97 107.32 106.11 2x5a s GLY 201 Ca 0.23 -0.74 -0.17 0.00 0.00 0.00 0.00 44.72 44.04 2x5a s GLY 201 CO -0.13 0.44 0.45 -0.42 0.00 0.00 0.00 173.10 173.44 2x5a s ILE 202 N 0.93 5.16 -0.11 0.90 1.01 0.67 -2.77 121.20 126.99 2x5a s ILE 202 Ca 0.11 0.79 0.01 0.00 0.00 0.00 0.00 60.65 61.56 2x5a s ILE 202 Cb -0.13 -3.77 0.02 0.00 0.01 0.00 0.00 42.46 38.58 2x5a s ILE 202 CO 0.04 0.21 -0.12 -1.48 0.00 0.00 0.00 174.94 173.59 2x5a s LEU 203 N 1.52 1.54 -0.30 2.97 2.34 0.45 -1.37 118.68 125.84 2x5a s LEU 203 Ca 0.21 -0.37 -0.13 0.00 0.06 0.00 0.00 54.13 53.90 2x5a s LEU 203 Cb -0.15 -0.97 -0.04 0.00 -0.56 0.00 0.00 46.19 44.48 2x5a s LEU 203 CO 0.09 -0.03 0.27 -0.31 -1.06 0.00 0.00 176.35 175.31 2x5a s TYR 204 N 1.19 3.23 0.57 3.48 2.02 -0.81 0.15 117.35 127.18 2x5a s TYR 204 Ca -0.03 0.13 -0.14 0.00 -0.37 0.00 0.00 57.07 56.66 2x5a s TYR 204 Cb -0.14 -2.49 -0.06 0.00 -0.40 0.00 0.00 41.96 38.87 2x5a s TYR 204 CO -0.04 -0.25 1.01 -2.14 -1.57 0.00 0.00 175.55 172.56 2x5a s PRO 205 N 1.88 3.74 -0.15 -1.71 0.02 -1.26 -2.23 135.00 135.29 2x5a s PRO 205 Ca 0.10 0.85 -0.11 0.00 0.02 0.00 0.00 61.00 61.86 2x5a s PRO 205 Cb -0.16 -2.10 -0.04 0.00 0.02 0.00 0.00 34.50 32.22 2x5a s PRO 205 CO 0.11 -0.45 -0.20 1.63 -0.33 0.00 0.00 177.00 177.75 2x5a n LYS 206 N -2.22 0.47 -5.04 5.54 5.02 -0.10 -4.58 118.16 117.24 2x5a n LYS 206 Ca 0.06 0.47 -0.32 0.00 -2.02 0.00 0.00 58.31 56.51 2x5a n LYS 206 Cb 0.54 -1.65 -0.15 0.00 -0.02 0.00 0.00 35.03 33.75 2x5a n LYS 206 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2x5a s LEU 207 N -8.16 2.43 0.44 -0.35 1.43 -1.26 -5.04 118.68 108.17 2x5a s LEU 207 Ca -0.17 -0.36 -0.22 0.00 -1.03 0.00 0.00 54.13 52.35 2x5a s LEU 207 Cb 0.02 -1.48 -0.09 0.00 0.03 0.00 0.00 46.19 44.68 2x5a s LEU 207 CO 0.26 0.28 1.04 -2.16 0.23 0.00 0.00 176.35 176.00 2x5a s PRO 208 N -0.33 4.00 -0.15 1.29 0.04 -1.26 -3.66 135.00 134.92 2x5a s PRO 208 Ca 0.02 1.42 0.00 0.00 0.04 0.00 0.00 61.00 62.49 2x5a s PRO 208 Cb -0.13 -2.32 0.00 0.00 0.04 0.00 0.00 34.50 32.10 2x5a s PRO 208 CO 0.02 -0.27 0.00 1.63 0.04 0.00 0.00 177.00 178.42 2x5a n LYS 209 N -0.51 -0.48 -5.01 4.56 5.02 -0.40 -5.00 118.16 116.35 2x5a n LYS 209 Ca 0.07 0.28 -0.32 0.00 -2.02 0.00 0.00 58.31 56.32 2x5a n LYS 209 Cb 0.51 -3.76 -0.15 0.00 -0.02 0.00 0.00 35.03 31.62 2x5a n LYS 209 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 2x5a s THR 210 N -1.87 2.63 -0.10 -0.18 2.01 -1.24 -4.91 115.64 111.99 2x5a s THR 210 Ca 0.00 -0.84 -0.34 0.00 0.31 0.00 0.00 61.69 60.81 2x5a s THR 210 Cb 0.00 -2.04 -0.12 0.00 0.01 0.00 0.00 72.50 70.36 2x5a s THR 210 CO 0.00 0.56 1.89 -0.81 -0.69 0.00 0.00 174.62 175.56 2x5a n PRO 211 N 3.08 2.15 -4.67 4.92 -0.04 -1.26 -4.64 135.00 134.55 2x5a n PRO 211 Ca -0.18 0.79 -0.33 0.00 -0.04 0.00 0.00 63.50 63.74 2x5a n PRO 211 Cb 0.52 -2.63 -0.15 0.00 -0.04 0.00 0.00 33.50 31.20 2x5a n PRO 211 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2x5a s ALA 212 N 4.13 2.60 0.00 0.55 0.00 0.11 -4.19 121.76 124.96 2x5a s ALA 212 Ca 0.93 -0.94 0.00 0.00 0.00 0.00 0.00 51.96 51.95 2x5a s ALA 212 Cb -0.70 -1.24 0.00 0.00 0.00 0.00 0.00 23.12 21.18 2x5a s ALA 212 CO 0.52 0.14 0.00 0.41 0.00 0.00 0.00 175.76 176.83 2x5a n GLY 213 N 3.73 -2.17 3.71 0.00 0.00 -0.66 -0.55 105.19 109.24 2x5a n GLY 213 Ca -0.18 -1.21 -0.34 0.00 0.00 0.00 0.00 46.02 44.29 2x5a n GLY 213 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2x5a s VAL 214 N -2.24 4.39 0.16 1.61 -7.23 -0.67 -0.57 120.40 115.86 2x5a s VAL 214 Ca 0.00 -0.37 0.11 0.00 -1.81 0.00 0.00 61.98 59.90 2x5a s VAL 214 Cb 0.00 -2.91 -0.04 0.00 0.56 0.00 0.00 36.38 33.98 2x5a s VAL 214 CO 0.00 0.48 -0.22 0.00 -0.31 0.00 0.00 175.10 175.06 2x5a s ARG 215 N -1.27 1.60 -0.07 4.82 1.70 -0.46 -0.48 118.95 124.79 2x5a s ARG 215 Ca 0.17 -1.40 0.05 0.00 -0.47 0.00 0.00 55.73 54.08 2x5a s ARG 215 Cb -0.12 -1.94 -0.01 0.00 -0.57 0.00 0.00 34.95 32.31 2x5a s ARG 215 CO 0.07 0.43 -0.23 -0.06 -1.08 0.00 0.00 175.30 174.43 2x5a s PHE 216 N -1.45 2.52 -0.04 5.89 0.08 -0.16 -1.01 117.98 123.81 2x5a s PHE 216 Ca 0.19 -0.74 0.04 0.00 0.12 0.00 0.00 56.93 56.54 2x5a s PHE 216 Cb -0.09 -1.65 -0.03 0.00 -0.57 0.00 0.00 43.02 40.69 2x5a s PHE 216 CO 0.10 -0.23 -0.15 -0.51 -0.10 0.00 0.00 175.22 174.33 2x5a s LEU 217 N -0.05 2.70 0.00 -0.37 1.43 0.97 -2.60 118.68 120.77 2x5a s LEU 217 Ca -0.06 -0.23 -0.09 0.00 -1.03 0.00 0.00 54.13 52.72 2x5a s LEU 217 Cb -0.15 -1.55 0.14 0.00 0.03 0.00 0.00 46.19 44.67 2x5a s LEU 217 CO 0.05 0.33 0.87 -0.90 0.23 0.00 0.00 176.35 176.93 2x5a n ASP 218 N 2.21 0.31 0.33 2.29 3.85 -0.48 -0.85 116.55 124.21 2x5a n ASP 218 Ca -0.17 -1.46 0.21 0.00 -0.71 0.00 0.00 54.79 52.66 2x5a n ASP 218 Cb 0.52 -0.64 1.16 0.00 -1.35 0.00 0.00 41.12 40.81 2x5a n ASP 218 CO 0.00 0.00 0.00 -2.24 -1.01 0.00 0.00 177.20 173.95 2x5a h ASP 219 N -1.01 0.00 -0.36 -1.12 -0.00 -1.88 -2.55 116.42 109.50 2x5a h ASP 219 Ca -0.28 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 56.75 2x5a h ASP 219 Cb 0.84 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 40.17 2x5a h ASP 219 CO 0.22 0.00 0.00 2.30 -0.00 0.00 0.00 179.24 181.76 2x5a n ILE 220 N -3.25 0.53 -1.98 4.15 -5.35 -1.26 -4.98 119.36 107.21 2x5a n ILE 220 Ca -0.03 -0.77 -0.02 0.00 -0.27 0.00 0.00 62.75 61.67 2x5a n ILE 220 Cb 0.07 0.94 -0.00 0.00 -1.74 0.00 0.00 39.64 38.91 2x5a n ILE 220 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2x5a n GLY 221 N 1.29 0.31 3.61 3.28 0.00 -0.96 -5.07 105.19 107.65 2x5a n GLY 221 Ca 0.17 -0.83 -0.34 0.00 0.00 0.00 0.00 46.02 45.03 2x5a n GLY 221 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2x5a s ASN 222 N -2.93 4.77 0.03 1.61 0.01 -1.26 -4.88 114.94 112.30 2x5a s ASN 222 Ca 0.00 -0.02 -0.26 0.00 -0.71 0.00 0.00 52.86 51.87 2x5a s ASN 222 Cb 0.00 -1.21 -0.05 0.00 0.41 0.00 0.00 41.25 40.40 2x5a s ASN 222 CO 0.00 0.34 0.80 -0.70 -1.51 0.00 0.00 177.10 176.03 2x5a s GLU 223 N -1.02 4.52 -0.14 -0.60 2.12 -1.26 -1.39 118.70 120.93 2x5a s GLU 223 Ca 0.14 1.12 -0.01 0.00 0.36 0.00 0.00 54.97 56.58 2x5a s GLU 223 Cb -0.11 -3.38 -0.08 0.00 0.26 0.00 0.00 34.13 30.81 2x5a s GLU 223 CO 0.04 0.22 -0.14 2.48 -0.54 0.00 0.00 175.26 177.31 2x5a n TYR 224 N 3.03 0.00 -3.96 5.30 0.18 -1.07 -4.99 117.16 115.65 2x5a n TYR 224 Ca -0.01 0.00 -0.09 0.00 1.88 0.00 0.00 57.90 59.68 2x5a n TYR 224 Cb 0.50 -0.53 -0.10 0.00 -0.38 0.00 0.00 39.34 38.83 2x5a n TYR 224 CO 0.00 0.00 0.00 -0.08 -2.08 0.00 0.00 176.86 174.70 2x5a s THR 225 N -2.28 0.13 -0.23 -3.48 -1.32 -1.26 -4.29 115.64 102.92 2x5a s THR 225 Ca -0.19 -1.09 -0.10 0.00 -1.21 0.00 0.00 61.69 59.09 2x5a s THR 225 Cb 0.06 -0.72 0.09 0.00 -1.51 0.00 0.00 72.50 70.41 2x5a s THR 225 CO 0.31 -0.60 0.52 0.00 -2.21 0.00 0.00 174.62 172.64 2x5a s ALA 226 N -2.28 -1.46 -0.66 11.08 0.00 -0.78 -0.99 121.76 126.68 2x5a s ALA 226 Ca -0.08 1.89 -0.18 0.00 0.00 0.00 0.00 51.96 53.58 2x5a s ALA 226 Cb -0.03 -1.32 0.12 0.00 0.00 0.00 0.00 23.12 21.89 2x5a s ALA 226 CO -0.03 -0.55 0.77 0.42 0.00 0.00 0.00 175.76 176.36 2x5a s ILE 227 N 2.08 4.90 -0.18 0.00 -1.09 0.37 -2.41 121.20 124.86 2x5a s ILE 227 Ca -0.07 -1.24 -0.01 0.00 -2.23 0.00 0.00 60.65 57.10 2x5a s ILE 227 Cb -0.09 -4.53 0.00 0.00 -1.58 0.00 0.00 42.46 36.26 2x5a s ILE 227 CO -0.16 -1.17 -0.14 -0.69 -1.23 0.00 0.00 174.94 171.56 2x5a s VAL 228 N 2.39 2.66 0.09 2.92 1.01 -1.26 -1.67 120.40 126.54 2x5a s VAL 228 Ca 0.15 -0.75 0.06 0.00 0.00 0.00 0.00 61.98 61.44 2x5a s VAL 228 Cb -0.20 -2.15 -0.04 0.00 0.00 0.00 0.00 36.38 33.99 2x5a s VAL 228 CO 0.02 0.50 -0.07 -0.36 0.00 0.00 0.00 175.10 175.19 2x5a s PHE 229 N 1.13 2.82 -0.13 5.22 0.08 0.28 0.33 117.98 127.71 2x5a s PHE 229 Ca 0.01 -0.11 0.02 0.00 0.12 0.00 0.00 56.93 56.97 2x5a s PHE 229 Cb -0.14 -1.48 0.00 0.00 -0.57 0.00 0.00 43.02 40.83 2x5a s PHE 229 CO -0.05 0.43 -0.19 -1.59 -0.10 0.00 0.00 175.22 173.72 2x5a s LYS 230 N -2.11 3.12 0.14 0.44 -2.85 -1.02 0.10 119.74 117.56 2x5a s LYS 230 Ca 0.22 -0.81 0.07 0.00 -1.00 0.00 0.00 55.97 54.45 2x5a s LYS 230 Cb -0.11 -2.48 -0.04 0.00 -2.06 0.00 0.00 37.83 33.14 2x5a s LYS 230 CO 0.14 0.06 -0.17 0.95 0.10 0.00 0.00 175.35 176.44 2x5a s THR 231 N 0.66 1.59 -0.03 3.79 -4.23 -1.26 -4.85 115.64 111.31 2x5a s THR 231 Ca -0.10 -1.80 -0.17 0.00 -1.18 0.00 0.00 61.69 58.44 2x5a s THR 231 Cb -0.16 -1.69 -0.32 0.00 1.34 0.00 0.00 72.50 71.67 2x5a s THR 231 CO 0.02 -0.34 0.83 -0.33 -0.54 0.00 0.00 174.62 174.25 2x5a h GLU 232 N 3.42 0.39 -5.87 3.99 3.07 -1.97 -1.06 114.58 116.55 2x5a h GLU 232 Ca -0.41 -0.66 -0.55 0.00 -0.50 0.00 0.00 59.36 57.24 2x5a h GLU 232 Cb 1.20 0.25 -0.14 0.00 -0.84 0.00 0.00 28.75 29.21 2x5a h GLU 232 CO 0.50 1.32 -0.73 -0.65 -1.40 0.00 0.00 179.01 178.05 2x5a s GLN 233 N -2.52 1.58 -0.36 2.33 1.11 -1.26 -4.32 119.66 116.22 2x5a s GLN 233 Ca -0.14 -1.75 -0.29 0.00 0.01 0.00 0.00 55.36 53.19 2x5a s GLN 233 Cb 0.03 -1.47 0.01 0.00 -1.01 0.00 0.00 33.01 30.57 2x5a s GLN 233 CO 0.86 0.21 1.20 0.14 0.01 0.00 0.00 175.29 177.71 2x5a s VAL 234 N -2.74 4.25 -0.13 1.09 -7.23 -1.26 -4.80 120.40 109.57 2x5a s VAL 234 Ca 0.28 1.37 -0.26 0.00 -1.81 0.00 0.00 61.98 61.56 2x5a s VAL 234 Cb -0.01 -4.36 -0.02 0.00 0.56 0.00 0.00 36.38 32.55 2x5a s VAL 234 CO 0.12 -0.64 0.86 -1.10 -0.31 0.00 0.00 175.10 174.03 2x5a s GLN 235 N 4.16 4.36 0.35 4.82 -1.52 -1.26 -4.92 119.66 125.65 2x5a s GLN 235 Ca 0.51 1.11 0.16 0.00 -1.95 0.00 0.00 55.36 55.19 2x5a s GLN 235 Cb -0.12 -3.54 1.13 0.00 -0.22 0.00 0.00 33.01 30.25 2x5a s GLN 235 CO 0.24 -0.26 1.66 -0.44 -0.25 0.00 0.00 175.29 176.23 2x5a h ASP 236 N 7.18 0.49 -4.47 5.90 3.32 -0.94 -3.39 116.42 124.51 2x5a h ASP 236 Ca -0.32 0.19 -0.07 0.00 0.02 0.00 0.00 57.03 56.86 2x5a h ASP 236 Cb 1.15 0.14 -0.21 0.00 0.22 0.00 0.00 39.33 40.64 2x5a h ASP 236 CO 0.83 -0.16 0.07 -0.72 -1.72 0.00 0.00 179.24 177.54 2x5a s TYR 237 N -5.63 -0.64 -0.25 4.55 1.13 -1.10 -4.37 117.35 111.05 2x5a s TYR 237 Ca -0.10 1.35 -0.10 0.00 -1.41 0.00 0.00 57.07 56.82 2x5a s TYR 237 Cb 0.30 0.29 -0.05 0.00 -1.10 0.00 0.00 41.96 41.41 2x5a s TYR 237 CO 0.79 -0.45 0.15 0.42 -2.51 0.00 0.00 175.55 173.95 2x5a s ILE 238 N -0.42 5.16 -0.89 -3.49 1.01 0.40 -0.48 121.20 122.49 2x5a s ILE 238 Ca -0.06 0.11 -0.06 0.00 0.00 0.00 0.00 60.65 60.64 2x5a s ILE 238 Cb -0.03 -3.42 0.22 0.00 0.01 0.00 0.00 42.46 39.25 2x5a s ILE 238 CO 0.05 0.32 0.80 -0.22 0.00 0.00 0.00 174.94 175.89 2x5a s LEU 239 N 1.33 5.94 -0.12 2.97 2.96 0.13 -0.41 118.68 131.49 2x5a s LEU 239 Ca 0.07 -3.33 -0.14 0.00 -0.22 0.00 0.00 54.13 50.51 2x5a s LEU 239 Cb -0.15 -2.04 -0.05 0.00 0.50 0.00 0.00 46.19 44.46 2x5a s LEU 239 CO 0.06 -0.32 0.33 0.27 -1.32 0.00 0.00 176.35 175.37 2x5a s ILE 240 N -0.80 5.25 -0.09 6.68 -5.25 -1.11 -2.79 121.20 123.09 2x5a s ILE 240 Ca 0.25 0.63 0.02 0.00 -0.99 0.00 0.00 60.65 60.56 2x5a s ILE 240 Cb -0.11 -3.65 0.01 0.00 2.95 0.00 0.00 42.46 41.66 2x5a s ILE 240 CO -0.09 0.44 -0.15 0.21 -1.79 0.00 0.00 174.94 173.56 2x5a s ASN 241 N 0.02 2.24 0.00 4.36 3.84 0.40 -2.40 114.94 123.40 2x5a s ASN 241 Ca 0.19 -0.39 0.26 0.00 0.21 0.00 0.00 52.86 53.14 2x5a s ASN 241 Cb -0.14 -1.02 0.76 0.00 -0.55 0.00 0.00 41.25 40.31 2x5a s ASN 241 CO 0.07 0.05 1.57 0.35 -2.79 0.00 0.00 177.10 176.35 2x5a n THR 242 N 3.90 0.00 -1.67 -5.21 -2.24 -0.54 -2.32 114.28 106.21 2x5a n THR 242 Ca -0.21 -0.19 -0.46 0.00 -2.27 0.00 0.00 64.05 60.93 2x5a n THR 242 Cb 0.52 0.53 -0.04 0.00 -2.10 0.00 0.00 70.33 69.24 2x5a n THR 242 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 2x5a n ASP 243 N -0.29 3.03 -0.18 3.42 -0.08 -1.26 -4.76 116.55 116.44 2x5a n ASP 243 Ca 0.14 1.09 -0.08 0.00 -1.51 0.00 0.00 54.79 54.43 2x5a n ASP 243 Cb 0.37 -1.43 0.01 0.00 2.34 0.00 0.00 41.12 42.41 2x5a n ASP 243 CO 0.00 0.00 0.00 -0.37 0.12 0.00 0.00 177.20 176.95 2x5a h VAL 244 N 3.51 1.23 -0.42 5.18 -1.51 -1.95 -1.00 116.25 121.30 2x5a h VAL 244 Ca -0.45 -0.80 -0.03 0.00 -1.23 0.00 0.00 66.70 64.19 2x5a h VAL 244 Cb 1.26 0.77 -0.02 0.00 -2.13 0.00 0.00 31.29 31.17 2x5a h VAL 244 CO 0.86 0.29 0.13 0.78 -1.23 0.00 0.00 177.57 178.41 2x5a h ASN 245 N 0.72 0.62 -2.11 4.19 2.35 -2.01 -3.33 115.58 116.00 2x5a h ASN 245 Ca 0.17 -0.20 -0.53 0.00 -0.55 0.00 0.00 56.30 55.18 2x5a h ASN 245 Cb 0.29 -0.16 -0.41 0.00 0.05 0.00 0.00 38.32 38.09 2x5a h ASN 245 CO -0.00 0.66 -0.96 -0.90 -1.65 0.00 0.00 177.43 174.57 2x5a n ASP 246 N -4.58 2.21 -4.69 5.81 5.75 -1.24 -5.09 116.55 114.72 2x5a n ASP 246 Ca 0.00 -3.24 -0.42 0.00 -0.01 0.00 0.00 54.79 51.12 2x5a n ASP 246 Cb 0.18 -0.60 -0.03 0.00 -1.03 0.00 0.00 41.12 39.64 2x5a n ASP 246 CO 0.00 0.00 0.00 1.21 -0.11 0.00 0.00 177.20 178.30 2x5a n GLU 247 N 0.24 2.83 -4.50 0.11 2.13 -0.38 -4.71 120.64 116.37 2x5a n GLU 247 Ca 0.27 1.03 -0.25 0.00 0.66 0.00 0.00 57.16 58.87 2x5a n GLU 247 Cb 0.54 -2.94 -0.17 0.00 0.27 0.00 0.00 31.44 29.14 2x5a n GLU 247 CO 0.00 0.00 0.00 0.99 -0.41 0.00 0.00 177.13 177.71 2x5a s THR 248 N 3.01 1.15 -0.08 6.31 2.01 -0.98 -4.99 115.64 122.07 2x5a s THR 248 Ca 0.83 -0.47 0.01 0.00 0.31 0.00 0.00 61.69 62.37 2x5a s THR 248 Cb -0.47 -1.07 0.02 0.00 0.01 0.00 0.00 72.50 71.00 2x5a s THR 248 CO 0.38 0.36 -0.08 -0.31 -0.69 0.00 0.00 174.62 174.29 2x5a s TYR 249 N 0.81 1.22 -0.29 4.92 2.02 -1.26 0.15 117.35 124.92 2x5a s TYR 249 Ca -0.12 -0.49 -0.14 0.00 -0.37 0.00 0.00 57.07 55.96 2x5a s TYR 249 Cb -0.15 -1.00 0.12 0.00 -0.40 0.00 0.00 41.96 40.53 2x5a s TYR 249 CO 0.02 -0.34 0.77 1.14 -1.57 0.00 0.00 175.55 175.57 2x5a s GLN 250 N 1.20 0.55 -0.44 -0.62 -2.07 -1.12 -3.54 119.66 113.63 2x5a s GLN 250 Ca -0.05 1.14 -0.22 0.00 -1.82 0.00 0.00 55.36 54.41 2x5a s GLN 250 Cb -0.14 0.42 0.02 0.00 -1.09 0.00 0.00 33.01 32.23 2x5a s GLN 250 CO -0.02 -0.15 0.70 0.20 -1.32 0.00 0.00 175.29 174.70 2x5a s GLY 251 N 2.13 1.67 -0.10 2.60 0.00 -0.16 -0.69 107.32 112.77 2x5a s GLY 251 Ca -0.07 -1.11 -0.22 0.00 0.00 0.00 0.00 44.72 43.32 2x5a s GLY 251 CO -0.18 1.63 0.65 -0.98 0.00 0.00 0.00 173.10 174.21 2x5a s TRP 252 N 3.00 3.52 -0.13 1.90 0.52 0.37 -2.72 118.94 125.41 2x5a s TRP 252 Ca 0.26 1.12 -0.00 0.00 0.02 0.00 0.00 56.10 57.49 2x5a s TRP 252 Cb -0.13 -2.76 0.03 0.00 -1.15 0.00 0.00 33.47 29.46 2x5a s TRP 252 CO 0.20 0.05 -0.07 0.21 0.02 0.00 0.00 176.95 177.36 2x5a s LYS 253 N 1.01 1.47 7.54 4.98 2.20 -0.89 -0.18 119.74 135.87 2x5a s LYS 253 Ca 0.34 -0.34 0.00 0.00 -0.36 0.00 0.00 55.97 55.61 2x5a s LYS 253 Cb -0.17 -1.72 0.00 0.00 -1.51 0.00 0.00 37.83 34.43 2x5a s LYS 253 CO 0.15 -0.33 0.00 0.41 -0.36 0.00 0.00 175.35 175.22 2x5a n GLY 254 N 4.93 3.51 0.60 5.54 0.00 -1.26 -1.59 105.19 116.92 2x5a n GLY 254 Ca -0.12 0.14 0.07 0.00 0.00 0.00 0.00 46.02 46.11 2x5a n GLY 254 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2x5a n THR 255 N 0.00 0.03 -3.59 2.61 -2.24 -1.26 -4.98 114.28 104.86 2x5a n THR 255 Ca 0.00 -0.52 -0.36 0.00 -2.27 0.00 0.00 64.05 60.90 2x5a n THR 255 Cb 0.00 1.28 -0.08 0.00 -2.10 0.00 0.00 70.33 69.43 2x5a n THR 255 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 2x5a s THR 256 N -1.23 5.33 -0.25 4.28 2.01 -0.62 -5.09 115.64 120.07 2x5a s THR 256 Ca 0.18 0.42 -0.08 0.00 0.31 0.00 0.00 61.69 62.52 2x5a s THR 256 Cb 0.12 -3.58 -0.03 0.00 0.01 0.00 0.00 72.50 69.02 2x5a s THR 256 CO 0.19 0.38 0.09 0.00 -0.69 0.00 0.00 174.62 174.58 2x5a s ALA 257 N 0.65 3.24 -0.08 7.40 0.00 -1.26 -2.09 121.76 129.62 2x5a s ALA 257 Ca 0.13 -1.10 0.02 0.00 0.00 0.00 0.00 51.96 51.02 2x5a s ALA 257 Cb -0.13 -2.13 -0.02 0.00 0.00 0.00 0.00 23.12 20.84 2x5a s ALA 257 CO 0.03 -0.45 -0.14 -0.51 0.00 0.00 0.00 175.76 174.69 2x5a s LEU 258 N 1.56 2.75 -0.19 0.00 1.43 -1.10 -4.99 118.68 118.13 2x5a s LEU 258 Ca 0.06 -0.23 -0.29 0.00 -1.03 0.00 0.00 54.13 52.64 2x5a s LEU 258 Cb -0.15 -1.58 -0.00 0.00 0.03 0.00 0.00 46.19 44.49 2x5a s LEU 258 CO 0.05 0.29 1.18 0.21 0.23 0.00 0.00 176.35 178.31 2x5a s ASN 259 N -0.39 7.00 0.00 2.29 2.47 -1.26 -0.99 114.94 124.06 2x5a s ASN 259 Ca 0.04 1.57 0.23 0.00 0.42 0.00 0.00 52.86 55.12 2x5a s ASN 259 Cb -0.12 -2.54 0.47 0.00 -1.45 0.00 0.00 41.25 37.60 2x5a s ASN 259 CO 0.02 -0.73 1.42 0.18 -3.72 0.00 0.00 177.10 174.27 2x5a n LEU 260 N 6.52 3.31 -0.04 3.21 4.77 -1.23 -4.65 117.00 128.90 2x5a n LEU 260 Ca 0.13 -1.43 -0.09 0.00 -0.03 0.00 0.00 56.01 54.59 2x5a n LEU 260 Cb 0.45 -0.25 -0.03 0.00 -2.33 0.00 0.00 43.42 41.27 2x5a n LEU 260 CO 0.54 0.72 0.84 0.15 -1.33 0.00 0.00 177.39 178.32 2x5a h PHE 261 N 4.26 -0.06 0.00 -1.77 3.57 -1.92 -2.86 116.94 118.16 2x5a h PHE 261 Ca 0.00 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.52 2x5a h PHE 261 Cb 0.94 0.06 0.00 0.00 2.79 0.00 0.00 35.95 39.74 2x5a h PHE 261 CO 0.25 -0.06 0.00 -1.35 -2.23 0.00 0.00 178.31 174.92 2x5a h PRO 262 N 0.03 0.00 -0.08 6.41 0.11 -2.00 -2.77 132.00 133.69 2x5a h PRO 262 Ca 0.09 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.20 2x5a h PRO 262 Cb 0.13 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.24 2x5a h PRO 262 CO -0.17 0.00 0.00 1.55 -0.21 0.00 0.00 178.00 179.17 2x5a n VAL 263 N -3.05 0.09 -3.12 3.15 3.14 -1.10 -4.94 118.33 112.50 2x5a n VAL 263 Ca 0.00 -0.36 -0.34 0.00 -2.96 0.00 0.00 64.34 60.69 2x5a n VAL 263 Cb 0.28 0.69 -0.06 0.00 -1.06 0.00 0.00 33.84 33.68 2x5a n VAL 263 CO 0.00 0.00 0.00 -0.32 -6.46 0.00 0.00 176.83 170.05 2x5a s MET 264 N -1.91 4.11 -0.63 1.45 0.00 -1.05 -2.44 119.30 118.83 2x5a s MET 264 Ca 0.35 0.76 -0.27 0.00 0.00 0.00 0.00 55.69 56.53 2x5a s MET 264 Cb 0.20 -2.62 0.00 0.00 0.00 0.00 0.00 34.83 32.42 2x5a s MET 264 CO 0.31 0.25 1.56 0.34 0.00 0.00 0.00 175.02 177.48 2x5a s ASP 265 N -2.01 5.79 0.34 1.11 3.68 0.15 -4.90 116.67 120.84 2x5a s ASP 265 Ca 0.50 0.11 0.14 0.00 2.13 0.00 0.00 52.55 55.43 2x5a s ASP 265 Cb -0.13 -2.54 0.61 0.00 -1.45 0.00 0.00 42.92 39.40 2x5a s ASP 265 CO 0.19 -2.01 1.74 -0.26 0.13 0.00 0.00 175.17 174.95 2x5a h PHE 266 N 12.33 0.00 -0.20 -5.34 0.04 -1.92 -3.13 116.94 118.72 2x5a h PHE 266 Ca -0.27 0.00 -0.16 0.00 2.80 0.00 0.00 57.97 60.34 2x5a h PHE 266 Cb 1.11 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.26 2x5a h PHE 266 CO 1.06 0.46 -0.50 1.49 -0.60 0.00 0.00 178.31 180.22 2x5a h GLU 267 N 0.00 0.69 -0.28 1.51 4.81 -1.96 -3.31 114.58 116.04 2x5a h GLU 267 Ca -0.00 -0.47 -0.14 0.00 -0.13 0.00 0.00 59.36 58.61 2x5a h GLU 267 Cb 0.86 0.07 -0.01 0.00 0.63 0.00 0.00 28.75 30.30 2x5a h GLU 267 CO 0.06 1.10 -0.42 0.00 -0.73 0.00 0.00 179.01 179.02 2x5a h ARG 268 N 0.39 0.68 -5.90 1.92 3.08 -1.83 -3.38 114.38 109.35 2x5a h ARG 268 Ca -0.01 -0.36 -0.64 0.00 0.07 0.00 0.00 59.98 59.04 2x5a h ARG 268 Cb 1.11 0.01 -0.08 0.00 0.08 0.00 0.00 29.97 31.09 2x5a h ARG 268 CO 0.11 0.97 1.97 -0.47 -1.07 0.00 0.00 179.97 181.48 2x5a s TYR 269 N -4.26 2.67 -0.04 3.04 6.14 -1.01 -1.86 117.35 122.02 2x5a s TYR 269 Ca -0.09 -1.31 -0.11 0.00 0.64 0.00 0.00 57.07 56.20 2x5a s TYR 269 Cb 0.12 -4.70 -0.31 0.00 0.42 0.00 0.00 41.96 37.49 2x5a s TYR 269 CO 0.84 -1.81 0.70 -0.09 0.64 0.00 0.00 175.55 175.83 2x5a h ARG 270 N 8.24 0.40 -4.12 4.97 2.43 -1.75 -3.48 114.38 121.08 2x5a h ARG 270 Ca 0.38 -0.68 -0.11 0.00 -0.81 0.00 0.00 59.98 58.75 2x5a h ARG 270 Cb 0.91 0.25 -0.15 0.00 -0.42 0.00 0.00 29.97 30.57 2x5a h ARG 270 CO 1.44 1.32 -0.58 -0.08 -1.51 0.00 0.00 179.97 180.56 2x5a s THR 271 N -2.58 0.19 -0.17 0.20 -1.32 -1.26 -5.06 115.64 105.63 2x5a s THR 271 Ca -0.15 -1.62 0.11 0.00 -1.21 0.00 0.00 61.69 58.82 2x5a s THR 271 Cb 0.05 -1.51 -0.23 0.00 -1.51 0.00 0.00 72.50 69.31 2x5a s THR 271 CO 0.86 -0.85 0.17 -1.14 -2.21 0.00 0.00 174.62 171.45 2x5a n ARG 272 N 0.04 0.68 -2.14 7.08 0.63 -1.26 -4.84 116.66 116.85 2x5a n ARG 272 Ca -0.14 0.12 -0.43 0.00 -0.92 0.00 0.00 57.85 56.49 2x5a n ARG 272 Cb 0.62 -1.60 -0.02 0.00 0.45 0.00 0.00 32.46 31.90 2x5a n ARG 272 CO 0.00 0.00 0.00 0.42 -2.51 0.00 0.00 177.63 175.54 2x5a s ILE 273 N -2.53 3.74 -0.14 5.15 -1.09 -1.26 -4.76 121.20 120.32 2x5a s ILE 273 Ca -0.16 0.84 -0.21 0.00 -2.23 0.00 0.00 60.65 58.89 2x5a s ILE 273 Cb 0.07 -3.75 -0.03 0.00 -1.58 0.00 0.00 42.46 37.17 2x5a s ILE 273 CO 0.77 -0.30 0.61 -0.63 -1.23 0.00 0.00 174.94 174.16 2x5a s ILE 274 N 5.08 5.08 0.35 2.92 -1.09 -0.51 -4.99 121.20 128.03 2x5a s ILE 274 Ca 0.70 1.20 0.06 0.00 -2.23 0.00 0.00 60.65 60.38 2x5a s ILE 274 Cb -0.24 -3.94 -0.01 0.00 -1.58 0.00 0.00 42.46 36.69 2x5a s ILE 274 CO 0.28 0.21 0.49 -1.61 -1.23 0.00 0.00 174.94 173.08 2x5a s GLU 275 N 1.21 3.09 0.10 2.79 0.41 -1.26 -2.15 118.70 122.89 2x5a s GLU 275 Ca 0.31 -1.01 -0.31 0.00 -0.41 0.00 0.00 54.97 53.54 2x5a s GLU 275 Cb -0.16 -2.81 -0.10 0.00 -1.78 0.00 0.00 34.13 29.28 2x5a s GLU 275 CO 0.13 0.02 1.87 1.63 -0.49 0.00 0.00 175.26 178.41 2x5a n LYS 276 N -1.68 2.79 0.00 1.61 5.02 -1.26 -4.70 118.16 119.94 2x5a n LYS 276 Ca 0.01 1.02 0.00 0.00 -2.02 0.00 0.00 58.31 57.31 2x5a n LYS 276 Cb 0.58 -2.92 0.00 0.00 -0.02 0.00 0.00 35.03 32.67 2x5a n LYS 276 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2x5a n GLY 277 N 4.30 -0.51 3.25 0.72 0.00 -0.88 -3.16 105.19 108.91 2x5a n GLY 277 Ca 0.19 0.08 -0.09 0.00 0.00 0.00 0.00 46.02 46.20 2x5a n GLY 277 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2x5a s GLN 278 N 0.00 0.96 -0.07 1.61 -2.07 -0.03 -1.81 119.66 118.25 2x5a s GLN 278 Ca 0.00 -1.06 0.04 0.00 -1.82 0.00 0.00 55.36 52.52 2x5a s GLN 278 Cb 0.00 0.35 -0.01 0.00 -1.09 0.00 0.00 33.01 32.26 2x5a s GLN 278 CO 0.00 -0.32 -0.20 1.41 -1.32 0.00 0.00 175.29 174.85 2x5a s MET 279 N -3.91 2.73 -0.02 9.60 -2.45 -0.38 -0.02 119.30 124.86 2x5a s MET 279 Ca 0.10 -0.82 0.05 0.00 -1.25 0.00 0.00 55.69 53.77 2x5a s MET 279 Cb 0.04 -2.31 -0.03 0.00 1.25 0.00 0.00 34.83 33.79 2x5a s MET 279 CO -0.06 0.39 -0.15 -1.21 1.05 0.00 0.00 175.02 175.04 2x5a s GLU 280 N -0.15 2.39 -0.18 4.11 2.02 -0.18 -3.88 118.70 122.83 2x5a s GLU 280 Ca -0.03 -0.77 -0.15 0.00 0.02 0.00 0.00 54.97 54.04 2x5a s GLU 280 Cb -0.14 -2.34 -0.04 0.00 0.10 0.00 0.00 34.13 31.71 2x5a s GLU 280 CO 0.04 0.60 0.35 -0.51 0.02 0.00 0.00 175.26 175.76 2x5a s LEU 281 N -0.97 4.19 -0.23 1.80 1.43 -1.26 -1.35 118.68 122.29 2x5a s LEU 281 Ca 0.13 0.51 -0.06 0.00 -1.03 0.00 0.00 54.13 53.68 2x5a s LEU 281 Cb -0.11 -2.46 -0.02 0.00 0.03 0.00 0.00 46.19 43.63 2x5a s LEU 281 CO 0.02 -0.00 0.02 -0.63 0.23 0.00 0.00 176.35 175.99 2x5a s ILE 282 N 0.96 3.99 -1.43 -0.59 1.01 0.27 -4.57 121.20 120.83 2x5a s ILE 282 Ca 0.18 -0.29 -0.10 0.00 0.00 0.00 0.00 60.65 60.45 2x5a s ILE 282 Cb -0.14 -2.84 0.05 0.00 0.01 0.00 0.00 42.46 39.54 2x5a s ILE 282 CO 0.07 0.39 1.01 -3.20 0.00 0.00 0.00 174.94 173.21 2x5a n ASN 283 N 4.68 -4.66 -4.04 3.58 5.15 -1.26 -1.65 115.26 117.06 2x5a n ASN 283 Ca -0.17 -0.70 -0.27 0.00 -0.60 0.00 0.00 54.58 52.84 2x5a n ASN 283 Cb 0.51 -4.35 -0.17 0.00 -0.53 0.00 0.00 39.78 35.25 2x5a n ASN 283 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 2x5a s LEU 284 N -7.16 1.66 0.06 1.20 1.43 -1.26 -0.93 118.68 113.69 2x5a s LEU 284 Ca 0.51 -0.38 -0.14 0.00 -1.03 0.00 0.00 54.13 53.09 2x5a s LEU 284 Cb -0.25 -1.00 -0.28 0.00 0.03 0.00 0.00 46.19 44.69 2x5a s LEU 284 CO 0.79 0.01 1.12 0.77 0.23 0.00 0.00 176.35 179.27 2x5a h SER 285 N 7.35 0.85 -5.03 2.29 4.64 -1.69 -3.46 113.55 118.50 2x5a h SER 285 Ca -0.30 -0.78 -0.11 0.00 -0.47 0.00 0.00 61.79 60.13 2x5a h SER 285 Cb 1.18 -0.27 -0.18 0.00 -0.31 0.00 0.00 62.40 62.81 2x5a h SER 285 CO 0.48 1.58 -0.29 -0.75 -0.87 0.00 0.00 176.83 176.98 2x5a s LYS 286 N -3.01 0.72 -0.12 4.77 2.20 -1.24 -5.08 119.74 117.99 2x5a s LYS 286 Ca -0.09 -0.39 -0.14 0.00 -0.36 0.00 0.00 55.97 54.99 2x5a s LYS 286 Cb 0.06 0.31 0.04 0.00 -1.51 0.00 0.00 37.83 36.73 2x5a s LYS 286 CO 0.93 -0.21 0.38 0.00 -0.36 0.00 0.00 175.35 176.08 2x5a s ALA 287 N -2.00 -0.94 -0.17 3.13 0.00 -1.26 -1.92 121.76 118.60 2x5a s ALA 287 Ca -0.09 0.97 -0.00 0.00 0.00 0.00 0.00 51.96 52.84 2x5a s ALA 287 Cb -0.03 -0.51 0.04 0.00 0.00 0.00 0.00 23.12 22.62 2x5a s ALA 287 CO -0.00 -0.20 -0.07 -1.21 0.00 0.00 0.00 175.76 174.28 2x5a s GLU 288 N -0.05 1.66 0.05 0.00 2.02 -0.47 -4.99 118.70 116.91 2x5a s GLU 288 Ca -0.02 -0.58 0.07 0.00 0.02 0.00 0.00 54.97 54.46 2x5a s GLU 288 Cb -0.03 -2.08 -0.03 0.00 0.10 0.00 0.00 34.13 32.09 2x5a s GLU 288 CO 0.01 -0.40 -0.17 -0.06 0.02 0.00 0.00 175.26 174.66 2x5a s PHE 289 N 1.57 2.57 -0.25 1.61 0.08 -1.24 -0.24 117.98 122.08 2x5a s PHE 289 Ca 0.01 -0.25 0.01 0.00 0.12 0.00 0.00 56.93 56.82 2x5a s PHE 289 Cb -0.15 -1.46 0.07 0.00 -0.57 0.00 0.00 43.02 40.91 2x5a s PHE 289 CO -0.08 0.27 -0.03 0.15 -0.10 0.00 0.00 175.22 175.44 2x5a s LYS 290 N -1.51 1.48 -0.01 0.44 -0.14 -1.16 -1.66 119.74 117.18 2x5a s LYS 290 Ca 0.15 -1.05 -0.20 0.00 -1.36 0.00 0.00 55.97 53.51 2x5a s LYS 290 Cb -0.11 -2.57 -0.05 0.00 -1.68 0.00 0.00 37.83 33.43 2x5a s LYS 290 CO 0.06 -0.67 0.58 0.42 -0.76 0.00 0.00 175.35 174.98 2x5a s ILE 291 N 1.39 4.93 -0.43 2.17 -1.09 0.95 -1.78 121.20 127.35 2x5a s ILE 291 Ca -0.03 1.21 0.02 0.00 -2.23 0.00 0.00 60.65 59.62 2x5a s ILE 291 Cb -0.19 -3.91 0.13 0.00 -1.58 0.00 0.00 42.46 36.91 2x5a s ILE 291 CO -0.08 0.42 0.22 -1.59 -1.23 0.00 0.00 174.94 172.67 2x5a s LYS 292 N -0.18 1.35 0.06 2.79 -2.85 -1.07 -0.66 119.74 119.18 2x5a s LYS 292 Ca 0.30 -2.00 0.01 0.00 -1.00 0.00 0.00 55.97 53.28 2x5a s LYS 292 Cb -0.18 -2.50 -0.04 0.00 -2.06 0.00 0.00 37.83 33.05 2x5a s LYS 292 CO 0.17 -1.12 0.17 -0.98 0.10 0.00 0.00 175.35 173.68 2x5a s ARG 293 N 0.41 3.27 0.98 1.78 1.70 -1.13 -3.80 118.95 122.17 2x5a s ARG 293 Ca 0.16 -0.50 -0.12 0.00 -0.47 0.00 0.00 55.73 54.80 2x5a s ARG 293 Cb -0.24 -2.95 0.18 0.00 -0.57 0.00 0.00 34.95 31.37 2x5a s ARG 293 CO -0.03 0.60 1.08 0.21 -1.08 0.00 0.00 175.30 176.09 2x5a s LYS 294 N -2.41 0.55 -0.30 3.89 2.20 -1.26 -0.68 119.74 121.73 2x5a s LYS 294 Ca 0.32 0.77 -0.03 0.00 -0.36 0.00 0.00 55.97 56.68 2x5a s LYS 294 Cb -0.13 -1.73 0.19 0.00 -1.51 0.00 0.00 37.83 34.65 2x5a s LYS 294 CO 0.25 -2.72 0.74 0.00 -0.36 0.00 0.00 175.35 173.26 2x5a s ALA 295 N -2.84 -2.70 0.07 3.13 0.00 -0.32 -4.72 121.76 114.37 2x5a s ALA 295 Ca 0.65 1.56 -0.22 0.00 0.00 0.00 0.00 51.96 53.95 2x5a s ALA 295 Cb -0.20 -2.37 -0.13 0.00 0.00 0.00 0.00 23.12 20.42 2x5a s ALA 295 CO 0.59 -1.52 1.58 -0.44 0.00 0.00 0.00 175.76 175.97 2x5a h ASP 296 N 7.94 0.15 -3.54 0.00 5.19 -1.79 -3.36 116.42 121.01 2x5a h ASP 296 Ca -0.15 -0.19 -0.52 0.00 -0.62 0.00 0.00 57.03 55.54 2x5a h ASP 296 Cb 1.17 -0.04 -0.33 0.00 0.18 0.00 0.00 39.33 40.31 2x5a h ASP 296 CO 0.13 0.30 -0.82 0.12 -3.12 0.00 0.00 179.24 175.85 2x5a s PHE 297 N -5.43 1.50 0.00 4.55 2.19 -1.26 -4.78 117.98 114.75 2x5a s PHE 297 Ca -0.14 -0.52 0.00 0.00 0.33 0.00 0.00 56.93 56.60 2x5a s PHE 297 Cb 0.06 -1.07 0.00 0.00 -1.31 0.00 0.00 43.02 40.69 2x5a s PHE 297 CO 0.69 -0.25 0.00 0.28 1.83 0.00 0.00 175.22 177.77