#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 3.70 0.29 0.00 1.01 -1.26 -4.48 120.40 119.66 2x5a s VAL 2 Ca 0.00 0.55 -0.29 0.00 0.00 0.00 0.00 61.98 62.24 2x5a s VAL 2 Cb 0.00 -3.54 -0.10 0.00 0.00 0.00 0.00 36.38 32.74 2x5a s VAL 2 CO 0.00 -0.72 1.19 -0.60 0.00 0.00 0.00 175.10 174.97 2x5a s ARG 3 N -5.33 4.51 -0.17 2.72 3.00 -1.26 -4.75 118.95 117.68 2x5a s ARG 3 Ca 0.58 1.97 0.01 0.00 -1.00 0.00 0.00 55.73 57.29 2x5a s ARG 3 Cb -0.11 -3.15 0.02 0.00 0.00 0.00 0.00 34.95 31.71 2x5a s ARG 3 CO 0.52 0.02 -0.20 -0.65 0.00 0.00 0.00 175.30 174.99 2x5a s GLN 4 N -1.40 2.95 -0.15 5.12 -1.52 0.27 -4.97 119.66 119.96 2x5a s GLN 4 Ca 0.47 -0.82 -0.04 0.00 -1.95 0.00 0.00 55.36 53.03 2x5a s GLN 4 Cb -0.35 -2.50 -0.03 0.00 -0.22 0.00 0.00 33.01 29.91 2x5a s GLN 4 CO 0.45 -0.15 -0.02 0.71 -0.25 0.00 0.00 175.29 176.02 2x5a s TYR 5 N 1.16 3.06 -0.01 0.91 2.02 -1.25 -0.96 117.35 122.28 2x5a s TYR 5 Ca 0.01 -0.19 0.01 0.00 -0.37 0.00 0.00 57.07 56.53 2x5a s TYR 5 Cb -0.14 -1.94 0.00 0.00 -0.40 0.00 0.00 41.96 39.48 2x5a s TYR 5 CO -0.10 0.05 -0.03 0.15 -1.57 0.00 0.00 175.55 174.06 2x5a s LYS 6 N 0.19 0.28 -0.20 -0.62 1.02 -1.07 -2.49 119.74 116.84 2x5a s LYS 6 Ca -0.01 -0.08 -0.06 0.00 0.02 0.00 0.00 55.97 55.84 2x5a s LYS 6 Cb -0.14 -0.30 -0.03 0.00 -0.52 0.00 0.00 37.83 36.84 2x5a s LYS 6 CO 0.02 0.03 0.04 0.42 -0.92 0.00 0.00 175.35 174.94 2x5a s ILE 7 N 0.14 4.30 -0.13 2.17 -1.09 -0.35 -0.26 121.20 125.98 2x5a s ILE 7 Ca -0.01 -0.20 0.01 0.00 -2.23 0.00 0.00 60.65 58.22 2x5a s ILE 7 Cb -0.04 -2.95 -0.01 0.00 -1.58 0.00 0.00 42.46 37.88 2x5a s ILE 7 CO -0.00 0.42 -0.15 -1.00 -1.23 0.00 0.00 174.94 172.97 2x5a s HIS 8 N 0.93 2.76 0.03 3.97 3.76 0.36 -0.55 115.29 126.55 2x5a s HIS 8 Ca 0.03 -0.80 -0.22 0.00 -0.15 0.00 0.00 55.06 53.91 2x5a s HIS 8 Cb -0.14 -1.83 -0.15 0.00 1.11 0.00 0.00 32.58 31.56 2x5a s HIS 8 CO 0.02 -0.31 1.38 1.79 -0.85 0.00 0.00 174.74 176.77 2x5a h THR 9 N 5.52 1.32 -2.18 1.30 1.35 -1.77 -1.62 112.91 116.83 2x5a h THR 9 Ca -0.26 -1.08 -0.51 0.00 -0.55 0.00 0.00 66.41 64.01 2x5a h THR 9 Cb 1.21 1.83 -0.35 0.00 -1.73 0.00 0.00 68.15 69.12 2x5a h THR 9 CO 0.54 0.31 -0.86 0.21 -0.25 0.00 0.00 175.52 175.47 2x5a s ASN 10 N -5.86 1.27 0.38 5.36 2.47 -1.26 -4.70 114.94 112.59 2x5a s ASN 10 Ca -0.15 -2.57 -0.27 0.00 0.42 0.00 0.00 52.86 50.29 2x5a s ASN 10 Cb 0.04 -0.01 -0.10 0.00 -1.45 0.00 0.00 41.25 39.74 2x5a s ASN 10 CO 0.72 -0.19 1.35 -0.22 -3.72 0.00 0.00 177.10 175.04 2x5a s LEU 11 N 0.50 4.30 -0.04 3.21 0.20 -1.26 -1.96 118.68 123.62 2x5a s LEU 11 Ca 0.28 2.76 0.00 0.00 0.69 0.00 0.00 54.13 57.86 2x5a s LEU 11 Cb -0.03 -3.78 0.00 0.00 -0.43 0.00 0.00 46.19 41.95 2x5a s LEU 11 CO -0.12 -0.78 0.00 -0.90 -0.29 0.00 0.00 176.35 174.26 2x5a n ASP 12 N 0.38 -3.21 -4.20 3.68 3.85 -1.26 -5.03 116.55 110.77 2x5a n ASP 12 Ca 0.02 0.01 -0.18 0.00 -0.71 0.00 0.00 54.79 53.93 2x5a n ASP 12 Cb 0.42 -0.75 -0.12 0.00 -1.35 0.00 0.00 41.12 39.33 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 -2.24 0.94 0.29 6.12 0.00 -0.83 -5.06 107.32 106.54 2x5a s GLY 13 Ca 0.00 -1.11 -0.01 0.00 0.00 0.00 0.00 44.72 43.59 2x5a s GLY 13 CO 0.00 -1.15 1.87 -0.91 0.00 0.00 0.00 173.10 172.91 2x5a h THR 14 N 3.99 1.22 -0.55 0.90 1.35 -1.96 -3.26 112.91 114.60 2x5a h THR 14 Ca -0.41 -0.68 -0.60 0.00 -0.55 0.00 0.00 66.41 64.18 2x5a h THR 14 Cb 1.19 0.49 -0.07 0.00 -1.73 0.00 0.00 68.15 68.03 2x5a h THR 14 CO 0.44 0.27 2.24 -0.90 -0.25 0.00 0.00 175.52 177.33 2x5a n ASP 15 N -4.32 7.68 -4.28 5.36 5.68 -1.26 -4.91 116.55 120.50 2x5a n ASP 15 Ca 0.05 -2.84 -0.41 0.00 -0.50 0.00 0.00 54.79 51.08 2x5a n ASP 15 Cb 0.17 -1.42 -0.09 0.00 -1.14 0.00 0.00 41.12 38.63 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 1.27 5.76 -0.17 -1.12 2.15 -1.23 -4.19 116.67 119.13 2x5a s ASP 16 Ca 0.62 -1.55 -0.18 0.00 0.43 0.00 0.00 52.55 51.87 2x5a s ASP 16 Cb 0.23 -2.04 -0.04 0.00 -0.30 0.00 0.00 42.92 40.78 2x5a s ASP 16 CO -0.09 -0.60 0.48 -0.75 -0.17 0.00 0.00 175.17 174.04 2x5a s LYS 17 N 1.46 4.25 -0.15 4.34 2.20 -1.26 -4.93 119.74 125.65 2x5a s LYS 17 Ca 0.04 0.38 -0.04 0.00 -0.36 0.00 0.00 55.97 55.99 2x5a s LYS 17 Cb -0.24 -3.50 -0.03 0.00 -1.51 0.00 0.00 37.83 32.54 2x5a s LYS 17 CO 0.02 -0.00 -0.02 0.08 -0.36 0.00 0.00 175.35 175.07 2x5a s VAL 18 N 1.15 4.06 -0.23 4.02 1.01 -1.26 -2.34 120.40 126.81 2x5a s VAL 18 Ca 0.24 -0.30 -0.05 0.00 0.00 0.00 0.00 61.98 61.86 2x5a s VAL 18 Cb -0.15 -2.78 -0.02 0.00 0.00 0.00 0.00 36.38 33.43 2x5a s VAL 18 CO 0.09 0.50 0.01 0.26 0.00 0.00 0.00 175.10 175.96 2x5a s TRP 19 N 0.23 3.02 -0.75 5.22 0.52 0.29 -4.97 118.94 122.49 2x5a s TRP 19 Ca -0.01 -0.69 -0.23 0.00 0.02 0.00 0.00 56.10 55.19 2x5a s TRP 19 Cb -0.14 -2.17 0.07 0.00 -1.15 0.00 0.00 33.47 30.09 2x5a s TRP 19 CO 0.02 -0.46 1.09 0.34 0.02 0.00 0.00 176.95 177.96 2x5a s ASP 20 N 1.54 6.28 0.00 2.95 -1.08 -1.26 -1.21 116.67 123.89 2x5a s ASP 20 Ca 0.06 -1.13 0.30 0.00 -0.52 0.00 0.00 52.55 51.26 2x5a s ASP 20 Cb -0.15 -2.45 1.40 0.00 -1.46 0.00 0.00 42.92 40.26 2x5a s ASP 20 CO -0.00 -1.45 1.96 1.33 0.52 0.00 0.00 175.17 177.53 2x5a n VAL 21 N 6.01 0.00 -0.10 1.11 0.24 -1.04 -0.26 118.33 124.29 2x5a n VAL 21 Ca 0.05 -0.04 -0.23 0.00 -2.04 0.00 0.00 64.34 62.08 2x5a n VAL 21 Cb 0.47 -0.23 -0.12 0.00 -1.47 0.00 0.00 33.84 32.49 2x5a n VAL 21 CO 0.00 0.00 0.00 0.41 -2.14 0.00 0.00 176.83 175.10 2x5a n THR 22 N -0.99 1.58 -0.07 3.34 -1.04 -1.15 -0.44 114.28 115.50 2x5a n THR 22 Ca 0.16 -0.43 -0.09 0.00 -2.04 0.00 0.00 64.05 61.65 2x5a n THR 22 Cb 0.25 -1.74 -0.08 0.00 -1.82 0.00 0.00 70.33 66.94 2x5a n THR 22 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 2x5a n ASN 23 N -3.81 2.64 -3.15 8.00 3.02 -1.22 -4.98 115.26 115.76 2x5a n ASN 23 Ca -0.43 -0.06 -0.19 0.00 -0.03 0.00 0.00 54.58 53.88 2x5a n ASN 23 Cb 0.92 0.05 0.17 0.00 -0.61 0.00 0.00 39.78 40.31 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 2.65 -3.42 0.35 7.41 0.00 0.64 -4.96 105.19 107.85 2x5a n GLY 24 Ca -0.24 -1.35 -0.05 0.00 0.00 0.00 0.00 46.02 44.38 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 1.23 -4.81 1.61 1.79 -1.93 -3.39 116.57 111.07 2x5a h LYS 25 Ca -0.25 -0.18 -0.67 0.00 -2.18 0.00 0.00 60.65 57.37 2x5a h LYS 25 Cb 0.82 -0.22 -0.18 0.00 -1.58 0.00 0.00 32.23 31.06 2x5a h LYS 25 CO 0.16 0.95 -0.43 0.08 -1.08 0.00 0.00 179.45 179.12 2x5a s VAL 26 N -5.69 5.26 -0.01 0.50 1.01 -1.26 0.20 120.40 120.40 2x5a s VAL 26 Ca -0.12 -0.08 0.07 0.00 0.00 0.00 0.00 61.98 61.85 2x5a s VAL 26 Cb 0.16 -3.72 -0.02 0.00 0.00 0.00 0.00 36.38 32.80 2x5a s VAL 26 CO 0.84 0.01 -0.23 -0.13 0.00 0.00 0.00 175.10 175.58 2x5a s ARG 27 N 1.81 2.14 -0.14 2.72 0.52 0.14 -3.90 118.95 122.24 2x5a s ARG 27 Ca 0.08 -0.91 -0.10 0.00 -0.52 0.00 0.00 55.73 54.27 2x5a s ARG 27 Cb -0.17 -2.10 -0.05 0.00 0.52 0.00 0.00 34.95 33.15 2x5a s ARG 27 CO 0.11 0.56 0.20 -0.06 0.02 0.00 0.00 175.30 176.14 2x5a s PHE 28 N -0.68 3.52 0.06 -0.53 0.40 0.42 -0.32 117.98 120.85 2x5a s PHE 28 Ca 0.11 0.54 -0.00 0.00 -0.60 0.00 0.00 56.93 56.97 2x5a s PHE 28 Cb -0.10 -2.14 -0.04 0.00 0.51 0.00 0.00 43.02 41.25 2x5a s PHE 28 CO 0.00 0.47 -0.04 0.71 0.70 0.00 0.00 175.22 177.06 2x5a s TYR 29 N -0.26 0.60 -0.81 0.36 2.02 -0.55 -4.73 117.35 113.98 2x5a s TYR 29 Ca 0.14 -0.95 -0.01 0.00 -0.37 0.00 0.00 57.07 55.88 2x5a s TYR 29 Cb -0.12 -0.40 0.00 0.00 -0.40 0.00 0.00 41.96 41.03 2x5a s TYR 29 CO 0.03 -0.29 0.62 1.04 -1.57 0.00 0.00 175.55 175.38 2x5a n GLN 30 N 0.27 -1.51 -1.83 -0.62 6.02 -1.26 0.17 117.38 118.61 2x5a n GLN 30 Ca -0.15 0.89 -0.41 0.00 -0.01 0.00 0.00 57.00 57.32 2x5a n GLN 30 Cb 0.60 -2.88 -0.02 0.00 1.02 0.00 0.00 30.24 28.97 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 -4.58 4.15 0.05 -1.09 0.04 -1.26 -4.34 135.00 127.97 2x5a s PRO 31 Ca 0.01 2.52 -0.32 0.00 0.04 0.00 0.00 61.00 63.24 2x5a s PRO 31 Cb -0.00 -3.03 -0.17 0.00 0.04 0.00 0.00 34.50 31.33 2x5a s PRO 31 CO 0.87 -0.57 1.48 0.66 0.04 0.00 0.00 177.00 179.48 2x5a h SER 32 N 4.60 -0.99 -3.31 6.66 4.64 -1.67 -3.45 113.55 120.03 2x5a h SER 32 Ca -0.47 0.04 -0.20 0.00 -0.47 0.00 0.00 61.79 60.68 2x5a h SER 32 Cb 1.22 0.26 -0.30 0.00 -0.31 0.00 0.00 62.40 63.27 2x5a h SER 32 CO 0.77 -0.69 -0.50 0.21 -0.87 0.00 0.00 176.83 175.75 2x5a s ASN 33 N -3.70 -0.19 0.00 4.97 2.47 -1.26 -5.01 114.94 112.23 2x5a s ASN 33 Ca -0.17 0.51 0.12 0.00 0.42 0.00 0.00 52.86 53.75 2x5a s ASN 33 Cb 0.02 0.41 0.02 0.00 -1.45 0.00 0.00 41.25 40.25 2x5a s ASN 33 CO 0.50 -0.17 0.76 0.18 -3.72 0.00 0.00 177.10 174.65 2x5a n LEU 34 N 4.34 1.53 0.00 3.21 4.77 -1.26 -4.68 117.00 124.91 2x5a n LEU 34 Ca -0.24 -0.82 0.00 0.00 -0.03 0.00 0.00 56.01 54.93 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 0.13 0.30 0.00 0.61 -1.33 0.00 0.00 177.39 177.10 2x5a n GLY 35 N 0.93 0.50 3.33 -0.72 0.00 -1.26 -4.85 105.19 103.12 2x5a n GLY 35 Ca 0.06 -1.38 -0.11 0.00 0.00 0.00 0.00 46.02 44.59 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 0.24 0.08 0.99 0.05 -1.26 -4.77 118.68 114.01 2x5a s LEU 36 Ca 0.00 -0.24 0.10 0.00 0.05 0.00 0.00 54.13 54.04 2x5a s LEU 36 Cb 0.00 1.96 -0.03 0.00 -2.05 0.00 0.00 46.19 46.07 2x5a s LEU 36 CO 0.00 -0.86 -0.26 -1.10 -0.55 0.00 0.00 176.35 173.58 2x5a s GLN 37 N -3.70 1.57 -0.00 1.48 -0.21 -0.76 -5.04 119.66 113.01 2x5a s GLN 37 Ca 0.02 -1.20 0.00 0.00 0.02 0.00 0.00 55.36 54.20 2x5a s GLN 37 Cb 0.01 -1.88 0.00 0.00 1.00 0.00 0.00 33.01 32.14 2x5a s GLN 37 CO -0.11 0.47 -0.00 0.45 -2.12 0.00 0.00 175.29 173.97 2x5a s SER 38 N -1.61 0.02 -0.38 5.90 0.15 -1.26 0.02 113.70 116.54 2x5a s SER 38 Ca 0.12 -0.00 -0.03 0.00 0.70 0.00 0.00 55.95 56.74 2x5a s SER 38 Cb -0.10 -0.00 0.09 0.00 -1.71 0.00 0.00 66.02 64.30 2x5a s SER 38 CO 0.04 -0.00 0.15 0.28 1.20 0.00 0.00 173.24 174.90 2x5a s THR 39 N 0.02 3.23 -1.01 6.45 -1.32 -0.90 -4.96 115.64 117.15 2x5a s THR 39 Ca -0.00 -1.85 0.29 0.00 -1.21 0.00 0.00 61.69 58.91 2x5a s THR 39 Cb -0.00 -3.12 0.22 0.00 -1.51 0.00 0.00 72.50 68.09 2x5a s THR 39 CO -0.00 -0.53 1.87 0.59 -2.21 0.00 0.00 174.62 174.34 2x5a n ASN 40 N 4.61 0.07 -3.71 8.08 3.02 -1.26 -1.90 115.26 124.16 2x5a n ASN 40 Ca -0.05 0.38 -0.22 0.00 -0.03 0.00 0.00 54.58 54.66 2x5a n ASN 40 Cb 0.42 -0.40 0.03 0.00 -0.61 0.00 0.00 39.78 39.23 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 -1.49 -1.53 -4.58 6.41 3.02 -1.26 -2.89 115.26 112.94 2x5a n ASN 41 Ca 0.07 -0.81 -0.43 0.00 -0.03 0.00 0.00 54.58 53.38 2x5a n ASN 41 Cb 0.34 -4.07 -0.04 0.00 -0.61 0.00 0.00 39.78 35.40 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 4.53 -0.11 2.41 1.01 -1.26 -2.74 121.20 121.41 2x5a s ILE 42 Ca 0.06 0.94 -0.02 0.00 0.00 0.00 0.00 60.65 61.63 2x5a s ILE 42 Cb -0.03 -4.38 -0.03 0.00 0.01 0.00 0.00 42.46 38.02 2x5a s ILE 42 CO 0.81 -0.70 -0.01 -1.66 0.00 0.00 0.00 174.94 173.38 2x5a s TRP 43 N 3.62 3.11 -0.11 3.97 1.48 -0.83 -4.98 118.94 125.19 2x5a s TRP 43 Ca 0.37 0.04 0.02 0.00 -1.06 0.00 0.00 56.10 55.47 2x5a s TRP 43 Cb -0.11 -1.85 -0.01 0.00 -1.16 0.00 0.00 33.47 30.34 2x5a s TRP 43 CO 0.23 0.30 -0.18 -0.65 -4.06 0.00 0.00 176.95 172.59 2x5a s GLN 44 N -0.45 3.22 -0.22 3.25 -0.21 -1.26 -1.91 119.66 122.07 2x5a s GLN 44 Ca 0.08 -0.77 -0.04 0.00 0.02 0.00 0.00 55.36 54.65 2x5a s GLN 44 Cb -0.12 -2.48 -0.01 0.00 1.00 0.00 0.00 33.01 31.40 2x5a s GLN 44 CO 0.02 0.21 -0.04 0.45 -2.12 0.00 0.00 175.29 173.81 2x5a s SER 45 N 0.31 4.30 -1.51 5.90 0.15 -0.28 -4.76 113.70 117.82 2x5a s SER 45 Ca -0.14 -0.39 -0.03 0.00 0.70 0.00 0.00 55.95 56.09 2x5a s SER 45 Cb -0.17 -1.74 0.03 0.00 -1.71 0.00 0.00 66.02 62.44 2x5a s SER 45 CO 0.07 -0.02 0.35 -3.20 1.20 0.00 0.00 173.24 171.64 2x5a n ASN 46 N 4.79 -0.38 0.00 5.45 5.15 -1.26 -1.25 115.26 127.76 2x5a n ASN 46 Ca -0.18 -1.10 0.00 0.00 -0.60 0.00 0.00 54.58 52.70 2x5a n ASN 46 Cb 0.51 -2.51 0.00 0.00 -0.53 0.00 0.00 39.78 37.25 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 -2.05 3.00 3.75 8.20 0.00 -1.26 -5.00 105.19 111.82 2x5a n GLY 47 Ca -0.25 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.37 2x5a n GLY 47 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2x5a s ILE 48 N -1.26 4.55 -0.20 -0.61 1.01 -0.38 -5.05 121.20 119.26 2x5a s ILE 48 Ca 0.00 1.78 -0.08 0.00 0.00 0.00 0.00 60.65 62.36 2x5a s ILE 48 Cb 0.00 -4.19 -0.04 0.00 0.01 0.00 0.00 42.46 38.24 2x5a s ILE 48 CO 0.00 0.40 0.08 -0.83 0.00 0.00 0.00 174.94 174.58 2x5a s GLY 49 N -0.35 1.90 -0.15 6.18 0.00 -1.26 -1.12 107.32 112.51 2x5a s GLY 49 Ca 0.40 -0.82 -0.01 0.00 0.00 0.00 0.00 44.72 44.29 2x5a s GLY 49 CO 0.26 0.17 -0.10 0.14 0.00 0.00 0.00 173.10 173.56 2x5a s VAL 50 N 0.63 3.24 -0.17 1.40 1.01 -0.80 -5.02 120.40 120.68 2x5a s VAL 50 Ca 0.04 -0.58 -0.06 0.00 0.00 0.00 0.00 61.98 61.38 2x5a s VAL 50 Cb -0.13 -2.39 -0.03 0.00 0.00 0.00 0.00 36.38 33.83 2x5a s VAL 50 CO 0.01 0.50 0.01 -0.32 0.00 0.00 0.00 175.10 175.31 2x5a s MET 51 N 0.53 3.80 0.00 2.72 1.75 -1.26 -1.97 119.30 124.86 2x5a s MET 51 Ca -0.07 -0.44 0.00 0.00 -1.25 0.00 0.00 55.69 53.93 2x5a s MET 51 Cb -0.15 -3.07 0.00 0.00 2.84 0.00 0.00 34.83 34.44 2x5a s MET 51 CO 0.03 0.22 0.00 0.41 -0.65 0.00 0.00 175.02 175.03 2x5a n GLY 52 N 3.65 0.81 3.37 2.11 0.00 -1.11 -5.00 105.19 109.02 2x5a n GLY 52 Ca -0.17 -0.04 -0.33 0.00 0.00 0.00 0.00 46.02 45.49 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 0.00 2.81 -0.41 2.61 -4.23 -1.24 -4.95 115.64 110.23 2x5a s THR 53 Ca 0.00 -0.77 -0.26 0.00 -1.18 0.00 0.00 61.69 59.47 2x5a s THR 53 Cb 0.00 -2.13 0.02 0.00 1.34 0.00 0.00 72.50 71.73 2x5a s THR 53 CO 0.00 0.55 0.97 0.00 -0.54 0.00 0.00 174.62 175.60 2x5a s ARG 54 N -0.02 3.73 -0.56 3.99 1.70 -1.26 -4.34 118.95 122.19 2x5a s ARG 54 Ca -0.05 0.46 -0.20 0.00 -0.47 0.00 0.00 55.73 55.48 2x5a s ARG 54 Cb -0.14 -3.86 0.07 0.00 -0.57 0.00 0.00 34.95 30.45 2x5a s ARG 54 CO 0.04 -1.10 0.72 -1.54 -1.08 0.00 0.00 175.30 172.34 2x5a s SER 55 N 2.09 6.21 -0.43 -2.89 1.04 -0.80 -4.92 113.70 114.00 2x5a s SER 55 Ca 0.40 -1.07 -0.29 0.00 0.48 0.00 0.00 55.95 55.47 2x5a s SER 55 Cb -0.11 -2.32 0.02 0.00 0.10 0.00 0.00 66.02 63.71 2x5a s SER 55 CO 0.23 -1.07 1.30 -0.63 0.98 0.00 0.00 173.24 174.05 2x5a s ILE 56 N 2.95 4.04 -0.15 -1.02 1.09 -1.26 -2.11 121.20 124.74 2x5a s ILE 56 Ca 0.16 1.07 -0.12 0.00 -1.10 0.00 0.00 60.65 60.66 2x5a s ILE 56 Cb -0.20 -4.35 -0.05 0.00 -1.06 0.00 0.00 42.46 36.80 2x5a s ILE 56 CO 0.10 -0.83 0.25 -0.89 -0.10 0.00 0.00 174.94 173.47 2x5a s THR 57 N 4.98 5.33 -0.18 2.92 2.01 0.10 -5.00 115.64 125.79 2x5a s THR 57 Ca 0.56 0.46 -0.08 0.00 0.31 0.00 0.00 61.69 62.94 2x5a s THR 57 Cb -0.11 -3.58 -0.04 0.00 0.01 0.00 0.00 72.50 68.78 2x5a s THR 57 CO 0.31 0.45 0.08 -1.10 -0.69 0.00 0.00 174.62 173.67 2x5a s GLN 58 N 0.09 4.01 0.28 4.92 -1.52 -1.26 -1.82 119.66 124.36 2x5a s GLN 58 Ca 0.15 -0.31 -0.05 0.00 -1.95 0.00 0.00 55.36 53.21 2x5a s GLN 58 Cb -0.13 -3.26 -0.05 0.00 -0.22 0.00 0.00 33.01 29.35 2x5a s GLN 58 CO 0.04 0.30 0.54 -1.25 -0.25 0.00 0.00 175.29 174.66 2x5a s PRO 59 N 0.32 3.63 0.30 2.91 0.04 -1.26 -4.79 135.00 136.15 2x5a s PRO 59 Ca 0.05 -0.00 -0.29 0.00 0.04 0.00 0.00 61.00 60.79 2x5a s PRO 59 Cb -0.12 -2.66 -0.13 0.00 0.04 0.00 0.00 34.50 31.63 2x5a s PRO 59 CO -0.00 0.24 1.36 1.04 0.04 0.00 0.00 177.00 179.67 2x5a n GLN 60 N -0.85 2.17 -3.91 4.56 6.02 -1.26 -4.76 117.38 119.35 2x5a n GLN 60 Ca -0.02 0.76 -0.36 0.00 -0.01 0.00 0.00 57.00 57.38 2x5a n GLN 60 Cb 0.54 -2.39 -0.12 0.00 1.02 0.00 0.00 30.24 29.29 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 -0.66 4.45 -0.23 5.09 1.01 -0.97 -4.54 121.20 125.36 2x5a s ILE 61 Ca 0.60 -0.14 -0.04 0.00 0.00 0.00 0.00 60.65 61.08 2x5a s ILE 61 Cb -0.58 -3.05 -0.00 0.00 0.01 0.00 0.00 42.46 38.83 2x5a s ILE 61 CO 0.57 0.39 -0.04 -0.70 0.00 0.00 0.00 174.94 175.16 2x5a s GLU 62 N 1.09 3.32 0.02 2.79 2.12 -1.26 -0.87 118.70 125.91 2x5a s GLU 62 Ca 0.04 -0.67 0.02 0.00 0.36 0.00 0.00 54.97 54.73 2x5a s GLU 62 Cb -0.14 -3.03 -0.04 0.00 0.26 0.00 0.00 34.13 31.18 2x5a s GLU 62 CO 0.03 -0.23 0.01 -0.06 -0.54 0.00 0.00 175.26 174.47 2x5a s PHE 63 N 1.47 3.07 -0.85 5.30 0.08 0.52 -1.69 117.98 125.88 2x5a s PHE 63 Ca 0.05 0.06 -0.21 0.00 0.12 0.00 0.00 56.93 56.96 2x5a s PHE 63 Cb -0.15 -1.64 0.10 0.00 -0.57 0.00 0.00 43.02 40.76 2x5a s PHE 63 CO -0.03 0.47 1.12 0.21 -0.10 0.00 0.00 175.22 176.89 2x5a s LYS 64 N -1.76 3.44 -0.27 0.44 2.20 0.13 -0.95 119.74 122.97 2x5a s LYS 64 Ca 0.21 -1.37 -0.29 0.00 -0.36 0.00 0.00 55.97 54.16 2x5a s LYS 64 Cb -0.12 -4.74 0.01 0.00 -1.51 0.00 0.00 37.83 31.47 2x5a s LYS 64 CO 0.13 -1.84 1.05 -1.17 -0.36 0.00 0.00 175.35 173.15 2x5a s LEU 65 N 3.44 4.03 0.04 5.43 2.96 0.23 -1.49 118.68 133.32 2x5a s LEU 65 Ca 0.31 1.22 0.09 0.00 -0.22 0.00 0.00 54.13 55.53 2x5a s LEU 65 Cb -0.08 -3.52 -0.03 0.00 0.50 0.00 0.00 46.19 43.06 2x5a s LEU 65 CO -0.03 -0.75 -0.24 -1.61 -1.32 0.00 0.00 176.35 172.39 2x5a s GLU 66 N 3.38 1.88 0.05 1.98 8.01 0.56 -0.55 118.70 134.00 2x5a s GLU 66 Ca 0.44 -1.07 0.05 0.00 0.01 0.00 0.00 54.97 54.40 2x5a s GLU 66 Cb -0.14 -2.03 -0.04 0.00 -4.31 0.00 0.00 34.13 27.61 2x5a s GLU 66 CO 0.10 0.52 -0.08 0.95 0.01 0.00 0.00 175.26 176.76 2x5a s THR 67 N -0.83 3.53 -0.31 3.63 -4.23 -0.83 0.26 115.64 116.86 2x5a s THR 67 Ca 0.12 -0.98 0.08 0.00 -1.18 0.00 0.00 61.69 59.72 2x5a s THR 67 Cb -0.10 -2.59 0.46 0.00 1.34 0.00 0.00 72.50 71.61 2x5a s THR 67 CO 0.03 0.27 1.17 0.49 -0.54 0.00 0.00 174.62 176.04 2x5a n PHE 68 N 1.18 2.77 -0.81 3.99 3.72 0.13 -4.18 117.46 124.26 2x5a n PHE 68 Ca -0.14 -2.37 -0.28 0.00 -0.05 0.00 0.00 57.45 54.60 2x5a n PHE 68 Cb 0.52 -0.29 0.22 0.00 -0.94 0.00 0.00 39.48 38.99 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 -3.60 1.55 -0.03 1.37 0.00 -1.26 -4.96 107.32 100.40 2x5a s GLY 69 Ca 0.49 -0.26 0.20 0.00 0.00 0.00 0.00 44.72 45.15 2x5a s GLY 69 CO -0.00 0.43 0.44 1.18 0.00 0.00 0.00 173.10 175.15 2x5a n GLU 70 N -4.63 0.61 -4.19 2.90 1.02 -1.26 -4.92 120.64 110.16 2x5a n GLU 70 Ca 0.04 -0.18 -0.13 0.00 -0.02 0.00 0.00 57.16 56.86 2x5a n GLU 70 Cb 0.56 -1.48 -0.09 0.00 -0.02 0.00 0.00 31.44 30.41 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 -4.32 0.42 0.26 1.62 1.04 -1.25 -4.86 113.70 106.61 2x5a s SER 71 Ca -0.07 -1.41 -0.02 0.00 0.48 0.00 0.00 55.95 54.92 2x5a s SER 71 Cb 0.13 0.44 0.33 0.00 0.10 0.00 0.00 66.02 67.03 2x5a s SER 71 CO 0.84 -0.93 1.77 -0.07 0.98 0.00 0.00 173.24 175.83 2x5a h LEU 72 N 2.48 0.78 -0.31 2.42 3.38 -1.80 -2.69 115.31 119.57 2x5a h LEU 72 Ca -0.33 -0.18 0.00 0.00 0.09 0.00 0.00 57.88 57.47 2x5a h LEU 72 Cb 1.25 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.77 2x5a h LEU 72 CO 0.48 0.83 0.20 -0.08 0.09 0.00 0.00 178.44 179.96 2x5a h GLU 73 N 0.77 0.40 -0.48 1.13 4.81 -1.95 -2.40 114.58 116.86 2x5a h GLU 73 Ca 0.15 -0.03 -0.12 0.00 -0.13 0.00 0.00 59.36 59.24 2x5a h GLU 73 Cb 0.42 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.69 2x5a h GLU 73 CO 0.01 0.27 -0.19 1.49 -0.73 0.00 0.00 179.01 179.87 2x5a h GLU 74 N 0.41 0.95 -0.27 1.92 4.81 -1.89 -1.94 114.58 118.57 2x5a h GLU 74 Ca 0.11 -0.38 -0.12 0.00 -0.13 0.00 0.00 59.36 58.84 2x5a h GLU 74 Cb -0.04 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.28 2x5a h GLU 74 CO -0.02 1.05 -0.32 -0.91 -0.73 0.00 0.00 179.01 178.08 2x5a h ASN 75 N 0.83 0.59 0.14 1.04 2.35 -1.44 -0.78 115.58 118.30 2x5a h ASN 75 Ca 0.12 -0.23 -0.16 0.00 -0.55 0.00 0.00 56.30 55.47 2x5a h ASN 75 Cb 0.75 -0.16 -0.01 0.00 0.05 0.00 0.00 38.32 38.95 2x5a h ASN 75 CO 0.06 0.87 -0.59 1.88 -1.65 0.00 0.00 177.43 178.00 2x5a h TYR 76 N 0.49 0.59 0.00 1.19 0.05 -1.41 -2.63 116.97 115.24 2x5a h TYR 76 Ca 0.06 -0.22 -0.07 0.00 0.05 0.00 0.00 58.73 58.54 2x5a h TYR 76 Cb 0.79 -0.11 -0.01 0.00 1.01 0.00 0.00 36.73 38.42 2x5a h TYR 76 CO 0.03 0.94 -0.35 0.37 -1.05 0.00 0.00 178.16 178.09 2x5a h GLN 77 N 0.35 0.00 0.01 4.88 5.75 -1.05 -2.34 115.11 122.71 2x5a h GLN 77 Ca -0.00 0.00 -0.02 0.00 -0.15 0.00 0.00 58.65 58.48 2x5a h GLN 77 Cb 1.13 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.68 2x5a h GLN 77 CO 0.11 0.35 -0.08 -0.07 -2.65 0.00 0.00 178.83 176.49 2x5a h LEU 78 N 0.00 0.05 -0.89 -2.39 3.38 -1.02 -2.78 115.31 111.65 2x5a h LEU 78 Ca -0.00 -0.92 0.07 0.00 0.09 0.00 0.00 57.88 57.12 2x5a h LEU 78 Cb 0.77 -0.02 -0.07 0.00 0.09 0.00 0.00 40.66 41.44 2x5a h LEU 78 CO 0.05 0.97 0.55 0.24 0.09 0.00 0.00 178.44 180.34 2x5a h MET 79 N -0.86 0.95 -0.35 1.13 2.86 -1.46 0.22 114.93 117.42 2x5a h MET 79 Ca -0.01 -0.06 -0.08 0.00 -2.06 0.00 0.00 59.70 57.49 2x5a h MET 79 Cb 0.99 -0.21 -0.01 0.00 0.06 0.00 0.00 31.60 32.42 2x5a h MET 79 CO 0.01 0.63 -0.10 -0.22 1.06 0.00 0.00 176.91 178.30 2x5a h LYS 80 N 0.98 0.68 0.50 1.72 3.64 -1.55 -2.66 116.57 119.89 2x5a h LYS 80 Ca 0.40 -0.27 -0.02 0.00 -1.27 0.00 0.00 60.65 59.49 2x5a h LYS 80 Cb 0.23 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.02 2x5a h LYS 80 CO -0.19 0.85 -0.24 -0.44 -2.27 0.00 0.00 179.45 177.16 2x5a h ASP 81 N 0.47 -0.57 -0.39 4.20 5.19 -1.11 -2.90 116.42 121.30 2x5a h ASP 81 Ca 0.09 -0.05 0.06 0.00 -0.62 0.00 0.00 57.03 56.51 2x5a h ASP 81 Cb 0.61 0.15 -0.06 0.00 0.18 0.00 0.00 39.33 40.21 2x5a h ASP 81 CO 0.04 -0.17 0.06 0.15 -3.12 0.00 0.00 179.24 176.20 2x5a h PHE 82 N -1.09 0.09 -0.40 4.55 3.57 -0.69 -1.72 116.94 121.25 2x5a h PHE 82 Ca -0.07 0.03 -0.13 0.00 3.53 0.00 0.00 57.97 61.33 2x5a h PHE 82 Cb 0.58 0.02 -0.01 0.00 2.79 0.00 0.00 35.95 39.33 2x5a h PHE 82 CO 0.01 -0.01 -0.25 0.28 -2.23 0.00 0.00 178.31 176.11 2x5a h VAL 83 N 0.18 1.28 -0.09 1.41 2.07 -1.61 -2.98 116.25 116.51 2x5a h VAL 83 Ca 0.19 -1.41 -0.10 0.00 0.82 0.00 0.00 66.70 66.20 2x5a h VAL 83 Cb 0.24 1.31 -0.01 0.00 -1.52 0.00 0.00 31.29 31.31 2x5a h VAL 83 CO -0.27 0.47 -0.42 0.78 0.02 0.00 0.00 177.57 178.16 2x5a h ASN 84 N 0.69 0.20 -0.30 0.57 2.35 -1.42 -2.06 115.58 115.62 2x5a h ASN 84 Ca 0.08 -0.09 -0.07 0.00 -0.55 0.00 0.00 56.30 55.68 2x5a h ASN 84 Cb 0.83 -0.06 -0.02 0.00 0.05 0.00 0.00 38.32 39.12 2x5a h ASN 84 CO 0.07 0.60 -0.03 0.44 -1.65 0.00 0.00 177.43 176.86 2x5a h ASP 85 N 0.16 0.64 0.03 5.81 3.45 -1.30 0.20 116.42 125.41 2x5a h ASP 85 Ca 0.01 -0.15 -0.14 0.00 0.43 0.00 0.00 57.03 57.18 2x5a h ASP 85 Cb 0.81 -0.17 -0.01 0.00 -0.56 0.00 0.00 39.33 39.40 2x5a h ASP 85 CO 0.06 0.73 -0.46 0.40 -1.57 0.00 0.00 179.24 178.41 2x5a h ILE 86 N 0.62 1.31 0.01 0.35 2.04 -1.34 -3.23 117.51 117.27 2x5a h ILE 86 Ca 0.12 -1.66 -0.22 0.00 1.00 0.00 0.00 64.86 64.10 2x5a h ILE 86 Cb 0.44 1.66 -0.00 0.00 -0.74 0.00 0.00 36.82 38.18 2x5a h ILE 86 CO 0.02 0.51 -0.95 -0.07 0.00 0.00 0.00 178.15 177.66 2x5a h LEU 87 N 0.41 0.47 -1.25 1.44 3.38 -0.66 -3.33 115.31 115.78 2x5a h LEU 87 Ca 0.03 -0.39 0.08 0.00 0.09 0.00 0.00 57.88 57.69 2x5a h LEU 87 Cb 0.96 -0.14 -0.06 0.00 0.09 0.00 0.00 40.66 41.51 2x5a h LEU 87 CO 0.08 1.19 0.55 0.77 0.09 0.00 0.00 178.44 181.13 2x5a h SER 88 N 0.19 0.78 -2.87 -0.43 4.64 -0.66 -3.40 113.55 111.81 2x5a h SER 88 Ca -0.08 0.01 -0.65 0.00 -0.47 0.00 0.00 61.79 60.61 2x5a h SER 88 Cb 1.60 -0.15 -0.09 0.00 -0.31 0.00 0.00 62.40 63.44 2x5a h SER 88 CO 0.16 0.49 -0.49 -0.54 -0.87 0.00 0.00 176.83 175.58 2x5a s LYS 89 N -5.79 3.68 0.58 4.77 -0.14 -1.24 -5.01 119.74 116.57 2x5a s LYS 89 Ca -0.11 -0.17 0.27 0.00 -1.36 0.00 0.00 55.97 54.61 2x5a s LYS 89 Cb 0.20 -3.25 1.71 0.00 -1.68 0.00 0.00 37.83 34.81 2x5a s LYS 89 CO 0.79 0.62 2.23 1.57 -0.76 0.00 0.00 175.35 179.79 2x5a h LYS 90 N 5.55 0.00 -2.83 1.68 2.10 -1.83 -3.43 116.57 117.80 2x5a h LYS 90 Ca -0.50 0.00 -0.12 0.00 -2.00 0.00 0.00 60.65 58.03 2x5a h LYS 90 Cb 1.20 0.00 -0.23 0.00 -0.90 0.00 0.00 32.23 32.31 2x5a h LYS 90 CO 0.64 0.00 -0.24 -0.59 -2.00 0.00 0.00 179.45 177.26 2x5a s PHE 91 N -4.72 -0.36 -0.00 0.07 -0.12 -1.26 -4.84 117.98 106.74 2x5a s PHE 91 Ca -0.05 0.79 0.02 0.00 -0.05 0.00 0.00 56.93 57.65 2x5a s PHE 91 Cb 0.16 0.14 -0.03 0.00 -0.63 0.00 0.00 43.02 42.65 2x5a s PHE 91 CO 0.57 -0.29 -0.03 0.08 -0.05 0.00 0.00 175.22 175.50 2x5a s VAL 92 N -0.36 3.91 -0.26 -2.49 1.01 0.43 -4.86 120.40 117.78 2x5a s VAL 92 Ca -0.05 -0.67 -0.08 0.00 0.00 0.00 0.00 61.98 61.17 2x5a s VAL 92 Cb -0.03 -2.72 -0.03 0.00 0.00 0.00 0.00 36.38 33.59 2x5a s VAL 92 CO 0.02 0.39 0.10 -0.89 0.00 0.00 0.00 175.10 174.73 2x5a s THR 93 N -1.03 4.57 0.43 3.92 2.01 -0.61 0.04 115.64 124.96 2x5a s THR 93 Ca 0.18 -0.08 -0.12 0.00 0.31 0.00 0.00 61.69 61.98 2x5a s THR 93 Cb -0.11 -3.15 -0.07 0.00 0.01 0.00 0.00 72.50 69.18 2x5a s THR 93 CO 0.09 0.32 0.81 -0.22 -0.69 0.00 0.00 174.62 174.93 2x5a s LEU 94 N 1.65 3.78 -0.31 4.42 2.96 0.16 -0.49 118.68 130.85 2x5a s LEU 94 Ca 0.07 1.21 0.00 0.00 -0.22 0.00 0.00 54.13 55.19 2x5a s LEU 94 Cb -0.15 -4.11 0.10 0.00 0.50 0.00 0.00 46.19 42.53 2x5a s LEU 94 CO 0.05 -0.44 0.09 -0.70 -1.32 0.00 0.00 176.35 174.03 2x5a s GLU 95 N -3.92 0.86 -0.50 1.98 2.12 0.64 -2.43 118.70 117.46 2x5a s GLU 95 Ca 0.53 -1.21 -0.22 0.00 0.36 0.00 0.00 54.97 54.43 2x5a s GLU 95 Cb -0.10 -2.22 0.04 0.00 0.26 0.00 0.00 34.13 32.11 2x5a s GLU 95 CO 0.32 -0.97 0.80 -0.47 -0.54 0.00 0.00 175.26 174.40 2x5a s TYR 96 N 1.49 2.94 -0.05 5.30 5.04 0.10 -2.61 117.35 129.55 2x5a s TYR 96 Ca 0.10 -0.07 0.06 0.00 -2.44 0.00 0.00 57.07 54.71 2x5a s TYR 96 Cb -0.18 -3.76 -0.02 0.00 0.35 0.00 0.00 41.96 38.36 2x5a s TYR 96 CO -0.22 -1.12 -0.22 -1.14 -1.34 0.00 0.00 175.55 171.52 2x5a s GLN 97 N 3.35 2.49 0.33 4.97 0.74 -0.14 -0.91 119.66 130.50 2x5a s GLN 97 Ca 0.26 -0.85 -0.00 0.00 0.05 0.00 0.00 55.36 54.82 2x5a s GLN 97 Cb -0.14 -2.22 -0.01 0.00 1.10 0.00 0.00 33.01 31.74 2x5a s GLN 97 CO 0.19 0.47 0.41 0.95 -0.55 0.00 0.00 175.29 176.76 2x5a s THR 98 N -0.37 0.00 0.33 -0.34 -4.23 0.07 -0.57 115.64 110.53 2x5a s THR 98 Ca 0.03 -1.71 0.04 0.00 -1.18 0.00 0.00 61.69 58.87 2x5a s THR 98 Cb -0.12 -2.59 0.29 0.00 1.34 0.00 0.00 72.50 71.42 2x5a s THR 98 CO 0.02 0.00 1.90 -0.33 -0.54 0.00 0.00 174.62 175.67 2x5a h GLU 99 N 2.14 0.86 0.02 3.99 5.08 -1.86 -3.18 114.58 121.63 2x5a h GLU 99 Ca -0.28 -0.05 -0.34 0.00 -1.00 0.00 0.00 59.36 57.69 2x5a h GLU 99 Cb 1.24 -0.19 -0.06 0.00 0.50 0.00 0.00 28.75 30.24 2x5a h GLU 99 CO 0.39 0.57 -2.08 0.44 -1.00 0.00 0.00 179.01 177.32 2x5a n ILE 100 N -4.52 1.54 -4.15 3.13 -5.35 -1.26 -5.05 119.36 103.70 2x5a n ILE 100 Ca 0.15 -0.77 -0.10 0.00 -0.27 0.00 0.00 62.75 61.76 2x5a n ILE 100 Cb 0.30 -0.97 -0.10 0.00 -1.74 0.00 0.00 39.64 37.12 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 0.82 -0.42 4.28 -0.12 -1.20 -5.11 117.98 113.68 2x5a s PHE 101 Ca -0.12 -1.07 0.03 0.00 -0.05 0.00 0.00 56.93 55.71 2x5a s PHE 101 Cb 0.07 -0.50 0.16 0.00 -0.63 0.00 0.00 43.02 42.12 2x5a s PHE 101 CO 0.79 -0.34 0.30 -1.14 -0.05 0.00 0.00 175.22 174.79 2x5a s GLN 102 N -3.94 0.99 0.26 1.99 0.74 -1.26 -0.75 119.66 117.70 2x5a s GLN 102 Ca 0.16 -1.98 0.04 0.00 0.05 0.00 0.00 55.36 53.63 2x5a s GLN 102 Cb 0.07 -1.69 -0.03 0.00 1.10 0.00 0.00 33.01 32.46 2x5a s GLN 102 CO -0.03 -1.30 0.40 0.14 -0.55 0.00 0.00 175.29 173.95 2x5a s VAL 103 N 0.25 5.23 0.06 1.34 -7.23 -0.09 -4.60 120.40 115.36 2x5a s VAL 103 Ca 0.26 -0.86 0.05 0.00 -1.81 0.00 0.00 61.98 59.62 2x5a s VAL 103 Cb -0.08 -3.86 -0.03 0.00 0.56 0.00 0.00 36.38 32.97 2x5a s VAL 103 CO -0.11 -0.38 -0.14 -0.31 -0.31 0.00 0.00 175.10 173.85 2x5a s TYR 104 N -2.05 1.23 0.08 2.82 2.02 -0.64 0.03 117.35 120.84 2x5a s TYR 104 Ca 0.35 -0.41 0.08 0.00 -0.37 0.00 0.00 57.07 56.73 2x5a s TYR 104 Cb -0.09 -0.71 -0.03 0.00 -0.40 0.00 0.00 41.96 40.73 2x5a s TYR 104 CO 0.31 0.05 -0.22 0.00 -1.57 0.00 0.00 175.55 174.11 2x5a s ALA 105 N -1.08 1.91 -0.55 3.71 0.00 -1.02 -0.40 121.76 124.34 2x5a s ALA 105 Ca -0.00 -1.20 -0.09 0.00 0.00 0.00 0.00 51.96 50.67 2x5a s ALA 105 Cb -0.09 -0.33 0.14 0.00 0.00 0.00 0.00 23.12 22.84 2x5a s ALA 105 CO 0.02 0.42 0.42 -0.51 0.00 0.00 0.00 175.76 176.11 2x5a s ASP 106 N -1.56 5.77 0.14 0.00 1.01 -0.15 -0.66 116.67 121.23 2x5a s ASP 106 Ca 0.08 -2.18 -0.01 0.00 0.71 0.00 0.00 52.55 51.16 2x5a s ASP 106 Cb -0.10 -2.01 -0.04 0.00 1.01 0.00 0.00 42.92 41.78 2x5a s ASP 106 CO 0.03 -0.62 0.32 -0.76 0.21 0.00 0.00 175.17 174.35 2x5a s LEU 107 N 0.96 4.29 -0.04 1.23 1.43 0.11 -0.88 118.68 125.78 2x5a s LEU 107 Ca 0.09 0.35 0.04 0.00 -1.03 0.00 0.00 54.13 53.58 2x5a s LEU 107 Cb -0.23 -3.08 -0.00 0.00 0.03 0.00 0.00 46.19 42.90 2x5a s LEU 107 CO -0.02 0.05 -0.15 0.00 0.23 0.00 0.00 176.35 176.46 2x5a s ALA 108 N -1.72 1.35 -0.16 4.21 0.00 -0.64 -0.43 121.76 124.38 2x5a s ALA 108 Ca 0.37 -0.58 -0.29 0.00 0.00 0.00 0.00 51.96 51.46 2x5a s ALA 108 Cb -0.12 -0.47 -0.05 0.00 0.00 0.00 0.00 23.12 22.48 2x5a s ALA 108 CO 0.28 0.23 1.97 -1.17 0.00 0.00 0.00 175.76 177.07 2x5a s LEU 109 N 0.13 3.83 -0.21 0.00 1.98 -1.26 -0.24 118.68 122.92 2x5a s LEU 109 Ca -0.05 2.00 -0.18 0.00 -2.89 0.00 0.00 54.13 53.01 2x5a s LEU 109 Cb -0.11 -3.52 -0.19 0.00 0.66 0.00 0.00 46.19 43.02 2x5a s LEU 109 CO 0.02 -1.52 0.15 0.00 -1.89 0.00 0.00 176.35 173.11 2x5a n ALA 110 N 9.64 0.87 -3.64 5.97 0.00 -0.55 -4.84 120.51 127.97 2x5a n ALA 110 Ca 0.24 -0.60 -0.10 0.00 0.00 0.00 0.00 53.44 52.98 2x5a n ALA 110 Cb 0.44 -0.47 -0.07 0.00 0.00 0.00 0.00 19.45 19.35 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 -6.97 -0.81 -0.01 0.00 2.15 -0.88 -4.98 116.67 105.17 2x5a s ASP 111 Ca -0.29 1.42 0.04 0.00 0.43 0.00 0.00 52.55 54.14 2x5a s ASP 111 Cb 0.07 1.39 -0.01 0.00 -0.30 0.00 0.00 42.92 44.07 2x5a s ASP 111 CO 0.60 -0.23 -0.13 0.54 -0.17 0.00 0.00 175.17 175.78 2x5a s VAL 112 N 1.01 1.03 0.01 1.11 0.11 -1.26 0.66 120.40 123.06 2x5a s VAL 112 Ca -0.05 -0.59 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 33.90 2x5a s VAL 112 CO -0.10 0.27 -0.10 0.42 -3.33 0.00 0.00 175.10 172.26 2x5a s THR 113 N -0.34 3.38 -0.12 5.04 -4.23 -1.12 -5.03 115.64 113.21 2x5a s THR 113 Ca 0.05 -0.87 -0.02 0.00 -1.18 0.00 0.00 61.69 59.67 2x5a s THR 113 Cb -0.05 -2.45 0.04 0.00 1.34 0.00 0.00 72.50 71.38 2x5a s THR 113 CO -0.00 0.40 -0.00 -0.75 -0.54 0.00 0.00 174.62 173.72 2x5a s LYS 114 N -1.36 0.80 0.26 3.99 2.20 -1.26 -4.66 119.74 119.71 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 -0.41 -0.03 0.95 -0.36 0.00 0.00 175.35 175.56 2x5a s THR 115 N 1.88 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 0.09 0.00 -1.18 0.00 0.00 61.69 58.55 2x5a s THR 115 Cb -0.14 -2.43 0.65 0.00 1.34 0.00 0.00 72.50 71.92 2x5a s THR 115 CO -0.07 -0.29 1.64 -0.62 -0.54 0.00 0.00 174.62 174.74 2x5a n GLU 116 N -0.53 3.50 -3.08 3.99 1.02 -1.26 -4.76 120.64 119.53 2x5a n GLU 116 Ca -0.05 -2.63 -0.44 0.00 -0.02 0.00 0.00 57.16 54.02 2x5a n GLU 116 Cb 0.64 -2.10 -0.01 0.00 -0.02 0.00 0.00 31.44 29.96 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 -0.76 2.59 -0.11 0.62 0.00 -1.26 -5.01 107.32 103.39 2x5a s GLY 117 Ca 0.47 -3.42 -0.16 0.00 0.00 0.00 0.00 44.72 41.61 2x5a s GLY 117 CO 0.12 1.79 0.40 -0.19 0.00 0.00 0.00 173.10 175.22 2x5a s TYR 118 N 0.84 3.53 -0.01 1.90 1.51 -1.26 -4.65 117.35 119.22 2x5a s TYR 118 Ca 0.36 0.80 -0.01 0.00 -1.01 0.00 0.00 57.07 57.21 2x5a s TYR 118 Cb -0.06 -2.43 -0.01 0.00 -0.11 0.00 0.00 41.96 39.36 2x5a s TYR 118 CO -0.04 0.27 0.32 0.78 -1.11 0.00 0.00 175.55 175.77 2x5a h GLY 119 N 6.37 -0.05 -5.55 0.71 0.00 -1.86 -3.45 103.07 99.23 2x5a h GLY 119 Ca -0.43 0.02 -0.08 0.00 0.00 0.00 0.00 47.33 46.84 2x5a h GLY 119 CO 0.73 -0.02 -0.25 0.54 0.00 0.00 0.00 176.54 177.55 2x5a s LYS 120 N -1.75 0.44 -1.68 4.80 1.02 -1.26 -4.92 119.74 116.39 2x5a s LYS 120 Ca -0.01 0.93 -0.02 0.00 0.02 0.00 0.00 55.97 56.89 2x5a s LYS 120 Cb 0.00 0.09 0.00 0.00 -0.52 0.00 0.00 37.83 37.40 2x5a s LYS 120 CO 0.02 -0.17 0.28 0.09 -0.92 0.00 0.00 175.35 174.65 2x5a n ASN 121 N 4.48 -6.00 -1.55 2.83 3.02 -1.26 -2.72 115.26 114.07 2x5a n ASN 121 Ca -0.20 -0.14 -0.11 0.00 -0.03 0.00 0.00 54.58 54.10 2x5a n ASN 121 Cb 0.55 -4.92 0.02 0.00 -0.61 0.00 0.00 39.78 34.81 2x5a n ASN 121 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2x5a n GLY 122 N -1.25 0.10 3.61 7.41 0.00 -1.26 -2.46 105.19 111.34 2x5a n GLY 122 Ca -0.19 -0.35 -0.36 0.00 0.00 0.00 0.00 46.02 45.12 2x5a n GLY 122 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2x5a n THR 123 N -3.85 3.23 -5.07 2.61 -1.04 -1.10 -4.76 114.28 104.30 2x5a n THR 123 Ca -0.06 -0.43 -0.29 0.00 -2.04 0.00 0.00 64.05 61.23 2x5a n THR 123 Cb 0.56 -1.11 -0.16 0.00 -1.82 0.00 0.00 70.33 67.79 2x5a n THR 123 CO 0.00 0.00 0.00 -0.36 -0.64 0.00 0.00 175.07 174.07 2x5a s PHE 124 N -1.69 2.12 -0.28 -1.42 0.08 -1.26 -3.37 117.98 112.17 2x5a s PHE 124 Ca 0.75 -0.65 -0.01 0.00 0.12 0.00 0.00 56.93 57.14 2x5a s PHE 124 Cb -0.37 -1.41 0.09 0.00 -0.57 0.00 0.00 43.02 40.76 2x5a s PHE 124 CO 0.49 -0.21 0.07 0.45 -0.10 0.00 0.00 175.22 175.91 2x5a s SER 125 N -0.02 3.81 0.06 1.36 0.15 -1.26 -1.96 113.70 115.84 2x5a s SER 125 Ca -0.05 -1.44 0.02 0.00 0.70 0.00 0.00 55.95 55.18 2x5a s SER 125 Cb -0.13 -0.88 -0.03 0.00 -1.71 0.00 0.00 66.02 63.27 2x5a s SER 125 CO 0.03 -0.37 -0.07 -1.61 1.20 0.00 0.00 173.24 172.43 2x5a s GLU 126 N 1.61 0.64 -0.21 5.44 0.41 0.28 -4.93 118.70 121.95 2x5a s GLU 126 Ca 0.06 -1.00 -0.11 0.00 -0.41 0.00 0.00 54.97 53.50 2x5a s GLU 126 Cb -0.17 -0.20 -0.05 0.00 -1.78 0.00 0.00 34.13 31.93 2x5a s GLU 126 CO -0.19 0.01 0.19 0.15 -0.49 0.00 0.00 175.26 174.93 2x5a s LYS 127 N -2.59 4.16 -0.19 1.61 1.02 -1.26 0.77 119.74 123.26 2x5a s LYS 127 Ca -0.01 -0.15 -0.01 0.00 0.02 0.00 0.00 55.97 55.82 2x5a s LYS 127 Cb -0.03 -3.47 0.00 0.00 -0.52 0.00 0.00 37.83 33.81 2x5a s LYS 127 CO -0.02 0.17 -0.12 -1.50 -0.92 0.00 0.00 175.35 172.96 2x5a s ILE 128 N 0.72 2.80 -0.07 2.17 2.07 -0.12 -2.78 121.20 125.99 2x5a s ILE 128 Ca 0.10 -0.70 -0.01 0.00 -1.41 0.00 0.00 60.65 58.64 2x5a s ILE 128 Cb -0.13 -2.22 -0.03 0.00 0.13 0.00 0.00 42.46 40.21 2x5a s ILE 128 CO 0.02 0.48 -0.02 -0.89 -1.91 0.00 0.00 174.94 172.63 2x5a s THR 129 N 1.21 4.13 0.05 4.00 2.01 0.21 -0.36 115.64 126.90 2x5a s THR 129 Ca 0.02 -0.36 0.07 0.00 0.31 0.00 0.00 61.69 61.73 2x5a s THR 129 Cb -0.14 -2.74 -0.03 0.00 0.01 0.00 0.00 72.50 69.60 2x5a s THR 129 CO -0.05 0.57 -0.18 -0.36 -0.69 0.00 0.00 174.62 173.91 2x5a s PHE 130 N -0.89 1.61 -0.09 4.92 0.40 -0.05 -1.48 117.98 122.40 2x5a s PHE 130 Ca 0.14 -0.38 -0.11 0.00 -0.60 0.00 0.00 56.93 55.99 2x5a s PHE 130 Cb -0.11 -0.94 -0.05 0.00 0.51 0.00 0.00 43.02 42.43 2x5a s PHE 130 CO 0.03 0.09 0.25 -0.51 0.70 0.00 0.00 175.22 175.78 2x5a s ASP 131 N -1.28 6.53 -0.16 1.36 1.01 0.67 -2.30 116.67 122.49 2x5a s ASP 131 Ca 0.05 0.63 -0.24 0.00 0.71 0.00 0.00 52.55 53.70 2x5a s ASP 131 Cb -0.09 -2.14 -0.02 0.00 1.01 0.00 0.00 42.92 41.68 2x5a s ASP 131 CO 0.02 0.33 0.77 -0.63 0.21 0.00 0.00 175.17 175.88 2x5a s ILE 132 N -0.81 4.93 -0.03 0.77 -1.09 -1.26 -1.61 121.20 122.10 2x5a s ILE 132 Ca 0.18 1.51 -0.02 0.00 -2.23 0.00 0.00 60.65 60.09 2x5a s ILE 132 Cb -0.14 -4.08 -0.01 0.00 -1.58 0.00 0.00 42.46 36.65 2x5a s ILE 132 CO 0.07 0.07 -0.05 -0.38 -1.23 0.00 0.00 174.94 173.42 2x5a n ILE 133 N 4.61 0.29 -4.62 2.92 5.41 -0.06 -4.96 119.36 122.96 2x5a n ILE 133 Ca 0.02 0.44 -0.27 0.00 1.00 0.00 0.00 62.75 63.94 2x5a n ILE 133 Cb 0.49 -1.68 -0.17 0.00 -0.71 0.00 0.00 39.64 37.58 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 -1.29 1.42 -0.18 1.39 2.01 -1.18 -4.99 115.64 112.82 2x5a s THR 134 Ca -0.04 -0.62 -0.05 0.00 0.31 0.00 0.00 61.69 61.29 2x5a s THR 134 Cb 0.01 -1.29 -0.03 0.00 0.01 0.00 0.00 72.50 71.20 2x5a s THR 134 CO 0.06 0.42 -0.01 -0.75 -0.69 0.00 0.00 174.62 173.65 2x5a s LYS 135 N 0.77 3.66 -0.09 4.92 2.20 -1.26 -0.98 119.74 128.96 2x5a s LYS 135 Ca -0.12 -0.51 -0.06 0.00 -0.36 0.00 0.00 55.97 54.93 2x5a s LYS 135 Cb -0.16 -3.03 0.02 0.00 -1.51 0.00 0.00 37.83 33.16 2x5a s LYS 135 CO 0.02 0.11 0.12 0.91 -0.36 0.00 0.00 175.35 176.15 2x5a n TRP 136 N 3.96 -2.62 -4.22 4.03 5.03 -1.11 -4.44 117.44 118.07 2x5a n TRP 136 Ca -0.17 1.53 -0.18 0.00 3.03 0.00 0.00 57.50 61.71 2x5a n TRP 136 Cb 0.52 -2.67 -0.15 0.00 -1.03 0.00 0.00 31.31 27.98 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 -0.37 0.68 0.21 -5.99 -0.85 0.47 -0.11 117.35 111.39 2x5a s TYR 137 Ca -0.14 -0.15 -0.30 0.00 -0.52 0.00 0.00 57.07 55.96 2x5a s TYR 137 Cb 0.01 -0.52 -0.08 0.00 0.38 0.00 0.00 41.96 41.75 2x5a s TYR 137 CO 0.37 -0.09 0.93 0.95 -1.52 0.00 0.00 175.55 176.20 2x5a s THR 138 N 0.30 4.17 -0.31 -3.49 -4.23 0.79 -1.62 115.64 111.25 2x5a s THR 138 Ca -0.04 2.06 0.01 0.00 -1.18 0.00 0.00 61.69 62.54 2x5a s THR 138 Cb -0.08 -4.31 0.07 0.00 1.34 0.00 0.00 72.50 69.52 2x5a s THR 138 CO -0.00 0.47 -0.00 -0.47 -0.54 0.00 0.00 174.62 174.08 2x5a s TYR 139 N -0.97 3.40 0.14 3.99 5.04 -1.26 -1.85 117.35 125.84 2x5a s TYR 139 Ca 0.42 -2.30 0.05 0.00 -2.44 0.00 0.00 57.07 52.80 2x5a s TYR 139 Cb -0.25 -2.33 -0.04 0.00 0.35 0.00 0.00 41.96 39.69 2x5a s TYR 139 CO 0.31 -0.88 -0.12 -1.21 -1.34 0.00 0.00 175.55 172.31 2x5a s GLU 140 N 1.12 1.07 -0.31 4.97 2.02 -0.20 -5.00 118.70 122.36 2x5a s GLU 140 Ca -0.02 -1.37 -0.22 0.00 0.02 0.00 0.00 54.97 53.38 2x5a s GLU 140 Cb -0.20 -0.79 -0.00 0.00 0.10 0.00 0.00 34.13 33.24 2x5a s GLU 140 CO -0.04 0.13 0.74 1.21 0.02 0.00 0.00 175.26 177.31 2x5a s ASN 141 N -2.86 6.59 -0.22 -0.19 2.47 -1.26 0.26 114.94 119.73 2x5a s ASN 141 Ca 0.14 0.54 -0.16 0.00 0.42 0.00 0.00 52.86 53.80 2x5a s ASN 141 Cb -0.01 -2.38 -0.04 0.00 -1.45 0.00 0.00 41.25 37.37 2x5a s ASN 141 CO 0.02 -0.59 0.42 -0.22 -3.72 0.00 0.00 177.10 173.02 2x5a s LEU 142 N 2.86 4.13 0.09 3.21 0.20 -0.22 -4.89 118.68 124.06 2x5a s LEU 142 Ca 0.30 0.50 0.06 0.00 0.69 0.00 0.00 54.13 55.69 2x5a s LEU 142 Cb -0.14 -2.54 -0.03 0.00 -0.43 0.00 0.00 46.19 43.04 2x5a s LEU 142 CO 0.13 -0.12 -0.16 -0.89 -0.29 0.00 0.00 176.35 175.01 2x5a s THR 143 N 1.55 1.36 0.84 3.68 2.01 -1.26 -3.64 115.64 120.18 2x5a s THR 143 Ca 0.19 -1.48 -0.11 0.00 0.31 0.00 0.00 61.69 60.60 2x5a s THR 143 Cb -0.15 -1.34 0.10 0.00 0.01 0.00 0.00 72.50 71.12 2x5a s THR 143 CO 0.09 -0.22 1.09 0.72 -0.69 0.00 0.00 174.62 175.61 2x5a s PHE 144 N -1.44 2.38 0.01 4.92 -0.71 -1.26 -4.65 117.98 117.23 2x5a s PHE 144 Ca 0.03 1.43 0.06 0.00 -1.04 0.00 0.00 56.93 57.41 2x5a s PHE 144 Cb -0.09 -3.11 -0.03 0.00 -1.21 0.00 0.00 43.02 38.58 2x5a s PHE 144 CO 0.03 -2.16 -0.16 -0.51 -1.34 0.00 0.00 175.22 171.09 2x5a s ASP 145 N -3.35 3.93 0.06 1.98 -0.00 0.10 -4.97 116.67 114.44 2x5a s ASP 145 Ca 0.63 -0.32 0.02 0.00 -0.00 0.00 0.00 52.55 52.87 2x5a s ASP 145 Cb -0.18 -0.73 -0.04 0.00 -0.00 0.00 0.00 42.92 41.97 2x5a s ASP 145 CO 0.57 0.29 0.09 -0.75 -0.00 0.00 0.00 175.17 175.36 2x5a s LYS 146 N -1.19 2.96 -0.17 8.23 2.47 -1.26 -2.26 119.74 128.51 2x5a s LYS 146 Ca 0.14 -0.63 -0.03 0.00 -1.56 0.00 0.00 55.97 53.88 2x5a s LYS 146 Cb -0.11 -2.77 -0.02 0.00 -1.46 0.00 0.00 37.83 33.47 2x5a s LYS 146 CO 0.04 0.58 -0.05 0.42 0.16 0.00 0.00 175.35 176.50 2x5a s ILE 147 N -1.36 3.63 -0.01 5.43 -1.09 -1.25 -5.03 121.20 121.52 2x5a s ILE 147 Ca 0.28 -0.44 0.04 0.00 -2.23 0.00 0.00 60.65 58.30 2x5a s ILE 147 Cb -0.12 -2.60 -0.03 0.00 -1.58 0.00 0.00 42.46 38.13 2x5a s ILE 147 CO 0.21 0.47 -0.10 -1.10 -1.23 0.00 0.00 174.94 173.19 2x5a s GLN 148 N 0.73 2.50 0.21 2.79 -0.21 -1.26 -4.62 119.66 119.79 2x5a s GLN 148 Ca -0.02 -0.73 -0.30 0.00 0.02 0.00 0.00 55.36 54.32 2x5a s GLN 148 Cb -0.15 -2.44 -0.10 0.00 1.00 0.00 0.00 33.01 31.32 2x5a s GLN 148 CO 0.02 0.61 1.44 -0.80 -2.12 0.00 0.00 175.29 174.44 2x5a s ASN 149 N -1.21 6.70 0.55 5.90 0.01 -1.26 -5.02 114.94 120.62 2x5a s ASN 149 Ca 0.15 2.57 -0.18 0.00 -0.71 0.00 0.00 52.86 54.69 2x5a s ASN 149 Cb -0.11 -2.61 -0.05 0.00 0.41 0.00 0.00 41.25 38.89 2x5a s ASN 149 CO 0.05 -0.69 1.10 -0.83 -1.51 0.00 0.00 177.10 175.21 2x5a s GLY 150 N 0.61 2.47 0.52 0.66 0.00 -0.80 -4.97 107.32 105.80 2x5a s GLY 150 Ca 0.62 0.68 -0.20 0.00 0.00 0.00 0.00 44.72 45.81 2x5a s GLY 150 CO 0.38 1.02 1.13 0.54 0.00 0.00 0.00 173.10 176.18 2x5a s LYS 151 N -3.50 3.46 -0.14 2.90 1.02 -1.26 -4.45 119.74 117.76 2x5a s LYS 151 Ca 0.69 1.63 -0.22 0.00 0.02 0.00 0.00 55.97 58.10 2x5a s LYS 151 Cb -0.21 -2.09 -0.03 0.00 -0.52 0.00 0.00 37.83 34.99 2x5a s LYS 151 CO 0.29 -0.77 0.67 0.08 -0.92 0.00 0.00 175.35 174.69 2x5a s VAL 152 N -1.73 5.03 -0.03 3.17 1.01 -1.26 -4.86 120.40 121.71 2x5a s VAL 152 Ca 0.71 1.31 0.05 0.00 0.00 0.00 0.00 61.98 64.04 2x5a s VAL 152 Cb -0.24 -3.99 -0.01 0.00 0.00 0.00 0.00 36.38 32.14 2x5a s VAL 152 CO 0.28 0.16 -0.18 -0.63 0.00 0.00 0.00 175.10 174.74 2x5a s ILE 153 N 1.47 1.45 -0.03 2.22 1.01 -1.26 -5.05 121.20 121.01 2x5a s ILE 153 Ca 0.33 -0.75 -0.30 0.00 0.00 0.00 0.00 60.65 59.93 2x5a s ILE 153 Cb -0.16 -1.23 -0.05 0.00 0.01 0.00 0.00 42.46 41.02 2x5a s ILE 153 CO 0.13 0.41 1.45 0.00 0.00 0.00 0.00 174.94 176.93 2x5a s ALA 154 N -0.12 3.61 0.00 9.38 0.00 -1.26 -1.41 121.76 131.95 2x5a s ALA 154 Ca -0.00 0.86 0.00 0.00 0.00 0.00 0.00 51.96 52.81 2x5a s ALA 154 Cb -0.10 -3.63 0.00 0.00 0.00 0.00 0.00 23.12 19.39 2x5a s ALA 154 CO 0.01 -1.05 0.00 0.41 0.00 0.00 0.00 175.76 175.13 2x5a n GLY 155 N 3.76 2.76 0.11 0.00 0.00 -1.26 -4.78 105.19 105.77 2x5a n GLY 155 Ca 0.14 -0.03 -0.15 0.00 0.00 0.00 0.00 46.02 45.98 2x5a n GLY 155 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 2x5a h MET 156 N 0.00 0.14 -6.47 1.61 2.07 -1.71 -3.43 114.93 107.14 2x5a h MET 156 Ca 0.00 -0.24 -0.46 0.00 -2.07 0.00 0.00 59.70 56.92 2x5a h MET 156 Cb 0.00 0.09 0.01 0.00 -1.87 0.00 0.00 31.60 29.83 2x5a h MET 156 CO 0.00 0.88 -0.23 -1.12 1.07 0.00 0.00 176.91 177.51 2x5a s SER 157 N -6.62 6.14 -0.75 1.22 0.01 -0.50 -0.34 113.70 112.86 2x5a s SER 157 Ca -0.11 0.24 -0.24 0.00 1.31 0.00 0.00 55.95 57.16 2x5a s SER 157 Cb 0.07 -1.76 0.06 0.00 0.21 0.00 0.00 66.02 64.61 2x5a s SER 157 CO 0.81 -0.37 1.12 -0.75 0.41 0.00 0.00 173.24 174.46 2x5a s LYS 158 N -4.29 3.23 0.00 12.44 2.20 -1.23 -4.73 119.74 127.37 2x5a s LYS 158 Ca 0.42 -0.78 -0.15 0.00 -0.36 0.00 0.00 55.97 55.09 2x5a s LYS 158 Cb -0.10 -4.40 0.02 0.00 -1.51 0.00 0.00 37.83 31.85 2x5a s LYS 158 CO 0.34 -1.95 0.32 0.96 -0.36 0.00 0.00 175.35 174.66 2x5a s ILE 159 N 4.50 0.06 -0.67 5.43 -4.36 -1.26 -4.90 121.20 120.01 2x5a s ILE 159 Ca 0.29 -0.52 -0.11 0.00 -0.26 0.00 0.00 60.65 60.05 2x5a s ILE 159 Cb -0.11 -0.73 0.17 0.00 1.25 0.00 0.00 42.46 43.04 2x5a s ILE 159 CO 0.08 -0.29 0.57 -0.31 0.24 0.00 0.00 174.94 175.23 2x5a s TYR 160 N -1.71 3.54 0.00 1.37 2.02 -1.26 -4.11 117.35 117.20 2x5a s TYR 160 Ca -0.11 -1.98 0.00 0.00 -0.37 0.00 0.00 57.07 54.61 2x5a s TYR 160 Cb -0.04 -3.63 0.00 0.00 -0.40 0.00 0.00 41.96 37.89 2x5a s TYR 160 CO 0.02 -0.97 0.00 0.41 -1.57 0.00 0.00 175.55 173.44 2x5a n GLY 161 N 4.29 4.84 7.00 0.71 0.00 -1.25 -4.45 105.19 116.33 2x5a n GLY 161 Ca 0.03 -2.16 0.00 0.00 0.00 0.00 0.00 46.02 43.89 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 4.85 3.06 3.73 -0.02 0.00 -1.26 -1.95 105.19 113.60 2x5a n GLY 162 Ca 0.00 -0.26 -0.42 0.00 0.00 0.00 0.00 46.02 45.35 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 2.60 0.40 2.61 -4.23 -1.26 -4.70 115.64 111.06 2x5a s THR 163 Ca 0.00 0.47 -0.27 0.00 -1.18 0.00 0.00 61.69 60.71 2x5a s THR 163 Cb 0.00 -3.30 -0.10 0.00 1.34 0.00 0.00 72.50 70.44 2x5a s THR 163 CO 0.00 0.06 1.44 0.00 -0.54 0.00 0.00 174.62 175.58 2x5a s ALA 164 N 0.49 3.45 -0.97 3.99 0.00 -1.26 -2.23 121.76 125.23 2x5a s ALA 164 Ca 0.64 1.49 -0.03 0.00 0.00 0.00 0.00 51.96 54.06 2x5a s ALA 164 Cb -0.43 -3.58 0.23 0.00 0.00 0.00 0.00 23.12 19.34 2x5a s ALA 164 CO 0.38 -1.04 2.18 -0.35 0.00 0.00 0.00 175.76 176.93 2x5a n PRO 165 N 0.28 4.13 -0.16 0.00 -0.04 -1.26 -5.03 135.00 132.91 2x5a n PRO 165 Ca 0.02 -3.72 0.00 0.00 -0.04 0.00 0.00 63.50 59.77 2x5a n PRO 165 Cb 0.41 -2.41 0.00 0.00 -0.04 0.00 0.00 33.50 31.45 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 0.44 -3.12 2.88 0.55 0.00 -0.95 -4.93 105.19 100.07 2x5a n GLY 166 Ca 0.53 -1.14 -0.15 0.00 0.00 0.00 0.00 46.02 45.27 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 -2.25 0.11 -0.13 1.61 2.20 -0.82 -4.71 114.94 110.96 2x5a s ASN 167 Ca 0.00 0.28 0.03 0.00 -0.94 0.00 0.00 52.86 52.22 2x5a s ASN 167 Cb 0.00 0.17 0.01 0.00 -2.00 0.00 0.00 41.25 39.43 2x5a s ASN 167 CO 0.00 -0.17 -0.22 -0.72 -2.94 0.00 0.00 177.10 173.05 2x5a s TYR 168 N 1.42 2.65 -0.13 1.54 -0.85 -1.26 -3.90 117.35 116.83 2x5a s TYR 168 Ca -0.06 -1.23 -0.07 0.00 -0.52 0.00 0.00 57.07 55.19 2x5a s TYR 168 Cb -0.12 -1.79 -0.04 0.00 0.38 0.00 0.00 41.96 40.39 2x5a s TYR 168 CO -0.06 -0.54 0.11 0.15 -1.52 0.00 0.00 175.55 173.69 2x5a s LYS 169 N 0.67 3.55 -0.48 -3.49 1.02 -1.26 -5.07 119.74 114.69 2x5a s LYS 169 Ca -0.10 -0.21 -0.26 0.00 0.02 0.00 0.00 55.97 55.42 2x5a s LYS 169 Cb -0.16 -3.17 0.03 0.00 -0.52 0.00 0.00 37.83 34.01 2x5a s LYS 169 CO 0.01 0.64 0.97 0.71 -0.92 0.00 0.00 175.35 176.76 2x5a s TYR 170 N -0.63 2.88 0.54 3.18 2.02 -1.26 -4.40 117.35 119.68 2x5a s TYR 170 Ca 0.12 0.40 0.06 0.00 -0.37 0.00 0.00 57.07 57.28 2x5a s TYR 170 Cb -0.12 -4.07 0.04 0.00 -0.40 0.00 0.00 41.96 37.41 2x5a s TYR 170 CO 0.02 -1.16 0.41 0.42 -1.57 0.00 0.00 175.55 173.67 2x5a s ILE 171 N 3.92 1.70 -0.51 2.71 1.01 -1.26 -4.95 121.20 123.82 2x5a s ILE 171 Ca 0.38 -1.48 -0.12 0.00 0.00 0.00 0.00 60.65 59.44 2x5a s ILE 171 Cb -0.10 -2.18 0.13 0.00 0.01 0.00 0.00 42.46 40.32 2x5a s ILE 171 CO 0.27 0.00 0.42 -0.75 0.00 0.00 0.00 174.94 174.88 2x5a s LYS 172 N -4.28 2.71 0.00 2.79 2.47 -1.26 -3.96 119.74 118.20 2x5a s LYS 172 Ca 0.35 -1.78 0.00 0.00 -1.56 0.00 0.00 55.97 52.99 2x5a s LYS 172 Cb -0.02 -4.08 0.00 0.00 -1.46 0.00 0.00 37.83 32.26 2x5a s LYS 172 CO 0.22 -1.25 0.00 0.41 0.16 0.00 0.00 175.35 174.89 2x5a n GLY 173 N 4.99 2.98 0.12 5.54 0.00 -1.26 -4.76 105.19 112.81 2x5a n GLY 173 Ca -0.09 -0.80 -0.18 0.00 0.00 0.00 0.00 46.02 44.94 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 1.19 0.00 2.61 1.35 -1.98 -3.48 112.91 112.60 2x5a h THR 174 Ca 0.00 -2.79 0.00 0.00 -0.55 0.00 0.00 66.41 63.07 2x5a h THR 174 Cb 0.00 2.82 0.00 0.00 -1.73 0.00 0.00 68.15 69.24 2x5a h THR 174 CO 0.00 0.83 0.00 -0.24 -0.25 0.00 0.00 175.52 175.86 2x5a n SER 175 N -3.51 0.00 -4.00 5.36 2.88 -1.25 -4.54 113.62 108.56 2x5a n SER 175 Ca -0.16 0.00 -0.27 0.00 -1.33 0.00 0.00 58.87 57.11 2x5a n SER 175 Cb 1.05 0.00 -0.17 0.00 -0.75 0.00 0.00 64.21 64.35 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 1.71 -0.12 0.66 -0.85 -1.26 -4.31 117.35 113.18 2x5a s TYR 176 Ca 0.00 -0.81 0.03 0.00 -0.52 0.00 0.00 57.07 55.77 2x5a s TYR 176 Cb 0.00 -1.30 0.01 0.00 0.38 0.00 0.00 41.96 41.05 2x5a s TYR 176 CO 0.00 -0.46 -0.21 0.95 -1.52 0.00 0.00 175.55 174.31 2x5a s THR 177 N 1.20 1.93 0.30 -3.49 -4.23 0.53 -4.89 115.64 107.00 2x5a s THR 177 Ca -0.03 -0.92 -0.30 0.00 -1.18 0.00 0.00 61.69 59.26 2x5a s THR 177 Cb -0.14 -1.70 -0.12 0.00 1.34 0.00 0.00 72.50 71.88 2x5a s THR 177 CO -0.04 0.53 1.56 -1.22 -0.54 0.00 0.00 174.62 174.91 2x5a n TYR 178 N 3.90 2.81 0.16 3.99 4.01 -1.26 -3.49 117.16 127.28 2x5a n TYR 178 Ca -0.20 0.31 -0.14 0.00 -0.16 0.00 0.00 57.90 57.71 2x5a n TYR 178 Cb 0.52 -2.57 -0.08 0.00 -0.31 0.00 0.00 39.34 36.90 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 4.37 -0.36 -0.11 -0.72 -0.00 -1.89 -3.48 116.97 114.78 2x5a h TYR 179 Ca -0.47 -0.01 0.00 0.00 0.00 0.00 0.00 58.73 58.25 2x5a h TYR 179 Cb 1.23 0.12 0.00 0.00 0.00 0.00 0.00 36.73 38.08 2x5a h TYR 179 CO 0.57 -0.10 0.00 0.41 -0.00 0.00 0.00 178.16 179.04 2x5a n GLY 180 N -0.73 1.67 3.22 0.10 0.00 -1.26 -1.90 105.19 106.29 2x5a n GLY 180 Ca -0.10 -0.43 -0.25 0.00 0.00 0.00 0.00 46.02 45.24 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 1.66 1.41 0.21 1.61 2.02 -1.26 -5.02 118.70 119.33 2x5a s GLU 181 Ca 0.00 -0.84 -0.31 0.00 0.02 0.00 0.00 54.97 53.84 2x5a s GLU 181 Cb 0.00 -1.46 -0.10 0.00 0.10 0.00 0.00 34.13 32.67 2x5a s GLU 181 CO 0.00 0.38 1.50 -1.54 0.02 0.00 0.00 175.26 175.62 2x5a s SER 182 N -0.92 6.62 -1.25 -0.19 1.04 -1.26 -2.67 113.70 115.07 2x5a s SER 182 Ca 0.07 2.64 -0.01 0.00 0.48 0.00 0.00 55.95 59.13 2x5a s SER 182 Cb -0.08 -2.61 -0.01 0.00 0.10 0.00 0.00 66.02 63.42 2x5a s SER 182 CO 0.01 -0.76 0.81 -0.67 0.98 0.00 0.00 173.24 173.61 2x5a n ASP 183 N 3.08 -1.98 0.00 7.02 2.03 -1.26 -4.86 116.55 120.59 2x5a n ASP 183 Ca 0.10 -0.76 0.08 0.00 0.52 0.00 0.00 54.79 54.73 2x5a n ASP 183 Cb 0.39 -4.46 0.47 0.00 -0.72 0.00 0.00 41.12 36.81 2x5a n ASP 183 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2x5a n ILE 184 N -4.15 0.11 0.70 5.18 3.06 -1.09 -2.58 119.36 120.59 2x5a n ILE 184 Ca -0.27 0.03 0.11 0.00 -2.50 0.00 0.00 62.75 60.12 2x5a n ILE 184 Cb 0.67 -0.77 0.47 0.00 0.54 0.00 0.00 39.64 40.55 2x5a n ILE 184 CO 0.00 0.00 0.00 -0.67 -2.50 0.00 0.00 176.55 173.38 2x5a n ASP 185 N -1.06 0.24 0.09 9.51 -0.08 -1.26 -3.14 116.55 120.86 2x5a n ASP 185 Ca 0.11 0.54 -0.05 0.00 -1.51 0.00 0.00 54.79 53.88 2x5a n ASP 185 Cb 0.07 -0.60 0.01 0.00 2.34 0.00 0.00 41.12 42.94 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 0.01 -6.10 -0.67 0.11 -1.88 -3.44 114.38 102.40 2x5a h ARG 186 Ca 0.00 -0.02 -0.58 0.00 0.10 0.00 0.00 59.98 59.49 2x5a h ARG 186 Cb 0.45 0.00 -0.05 0.00 1.11 0.00 0.00 29.97 31.48 2x5a h ARG 186 CO 0.00 0.84 0.83 -0.51 0.10 0.00 0.00 179.97 181.22 2x5a s LEU 187 N -7.14 4.13 -0.08 0.08 2.01 -1.19 -5.02 118.68 111.47 2x5a s LEU 187 Ca -0.00 1.48 -0.04 0.00 0.01 0.00 0.00 54.13 55.58 2x5a s LEU 187 Cb 0.11 -3.54 0.05 0.00 0.01 0.00 0.00 46.19 42.82 2x5a s LEU 187 CO 0.80 -0.69 0.18 -0.94 1.01 0.00 0.00 176.35 176.70 2x5a s SER 188 N 1.43 0.23 -0.17 2.29 1.04 -1.26 -3.91 113.70 113.36 2x5a s SER 188 Ca 0.47 0.37 -0.02 0.00 0.48 0.00 0.00 55.95 57.25 2x5a s SER 188 Cb -0.17 0.30 -0.01 0.00 0.10 0.00 0.00 66.02 66.24 2x5a s SER 188 CO 0.09 -0.20 -0.08 -0.60 0.98 0.00 0.00 173.24 173.43 2x5a s ARG 189 N 1.73 3.44 -0.63 4.02 3.52 -0.96 -4.94 118.95 125.14 2x5a s ARG 189 Ca -0.04 -0.63 -0.19 0.00 -0.13 0.00 0.00 55.73 54.75 2x5a s ARG 189 Cb -0.12 -2.83 0.11 0.00 -1.56 0.00 0.00 34.95 30.55 2x5a s ARG 189 CO -0.06 0.06 0.76 -1.58 -0.81 0.00 0.00 175.30 173.67 2x5a s TRP 190 N 0.78 3.00 -0.00 5.12 0.52 -1.26 0.02 118.94 127.12 2x5a s TRP 190 Ca -0.03 -0.98 -0.23 0.00 0.02 0.00 0.00 56.10 54.88 2x5a s TRP 190 Cb -0.15 -4.05 -0.05 0.00 -1.15 0.00 0.00 33.47 28.07 2x5a s TRP 190 CO 0.02 -1.33 0.67 0.34 0.02 0.00 0.00 176.95 176.67 2x5a s ASP 191 N 3.58 7.06 -0.30 2.95 -1.08 -1.26 -1.84 116.67 125.79 2x5a s ASP 191 Ca 0.14 1.26 -0.00 0.00 -0.52 0.00 0.00 52.55 53.43 2x5a s ASP 191 Cb -0.22 -2.41 0.06 0.00 -1.46 0.00 0.00 42.92 38.89 2x5a s ASP 191 CO 0.05 0.02 -0.02 -0.63 0.52 0.00 0.00 175.17 175.12 2x5a s ILE 192 N 0.07 2.74 -0.19 4.11 1.01 -0.42 -4.97 121.20 123.55 2x5a s ILE 192 Ca 0.35 -1.54 0.14 0.00 0.00 0.00 0.00 60.65 59.60 2x5a s ILE 192 Cb -0.19 -2.62 -0.23 0.00 0.01 0.00 0.00 42.46 39.42 2x5a s ILE 192 CO 0.19 -0.14 0.08 0.29 0.00 0.00 0.00 174.94 175.36 2x5a n LYS 193 N 4.55 0.68 -4.30 2.79 5.02 -1.26 -2.13 118.16 123.50 2x5a n LYS 193 Ca -0.12 0.05 -0.20 0.00 -2.02 0.00 0.00 58.31 56.02 2x5a n LYS 193 Cb 0.43 -1.55 -0.11 0.00 -0.02 0.00 0.00 35.03 33.78 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 -2.51 1.20 0.04 1.97 0.41 -1.26 -4.86 118.70 113.69 2x5a s GLU 194 Ca -0.14 -1.37 -0.30 0.00 -0.41 0.00 0.00 54.97 52.74 2x5a s GLU 194 Cb 0.07 -1.18 -0.08 0.00 -1.78 0.00 0.00 34.13 31.16 2x5a s GLU 194 CO 0.79 0.23 1.75 -2.00 -0.49 0.00 0.00 175.26 175.54 2x5a s GLU 195 N -2.83 4.17 0.06 1.61 2.12 -1.26 -4.73 118.70 117.84 2x5a s GLU 195 Ca 0.14 2.40 0.04 0.00 0.36 0.00 0.00 54.97 57.91 2x5a s GLU 195 Cb -0.05 -3.84 -0.04 0.00 0.26 0.00 0.00 34.13 30.47 2x5a s GLU 195 CO 0.05 -0.83 -0.01 0.96 -0.54 0.00 0.00 175.26 174.90 2x5a s ILE 196 N 3.46 4.02 -0.18 -3.70 -5.25 -0.71 -4.68 121.20 114.15 2x5a s ILE 196 Ca 0.78 -0.88 -0.16 0.00 -0.99 0.00 0.00 60.65 59.40 2x5a s ILE 196 Cb -0.40 -2.87 -0.06 0.00 2.95 0.00 0.00 42.46 42.08 2x5a s ILE 196 CO 0.34 0.20 -0.31 2.22 -1.79 0.00 0.00 174.94 175.60 2x5a n PHE 197 N 0.84 0.18 -4.42 1.37 -0.00 -1.19 -1.06 117.46 113.18 2x5a n PHE 197 Ca -0.12 0.08 -0.21 0.00 -0.00 0.00 0.00 57.45 57.20 2x5a n PHE 197 Cb 0.52 -0.59 -0.10 0.00 -0.00 0.00 0.00 39.48 39.31 2x5a n PHE 197 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.76 175.22 2x5a s SER 198 N -5.99 2.73 0.00 5.98 1.04 -1.24 -4.31 113.70 111.91 2x5a s SER 198 Ca -0.27 -1.18 -0.24 0.00 0.48 0.00 0.00 55.95 54.73 2x5a s SER 198 Cb 0.04 -0.16 0.05 0.00 0.10 0.00 0.00 66.02 66.06 2x5a s SER 198 CO 0.40 -0.34 0.54 0.72 0.98 0.00 0.00 173.24 175.54 2x5a s PHE 199 N -3.02 -0.47 -0.55 5.02 -0.71 -1.26 -2.66 117.98 114.33 2x5a s PHE 199 Ca 0.29 0.67 0.04 0.00 -1.04 0.00 0.00 56.93 56.90 2x5a s PHE 199 Cb 0.04 0.33 0.14 0.00 -1.21 0.00 0.00 43.02 42.31 2x5a s PHE 199 CO 0.12 -0.59 0.30 1.41 -1.34 0.00 0.00 175.22 175.11 2x5a s MET 200 N -1.82 2.02 -0.04 1.99 1.75 -0.69 -1.83 119.30 120.67 2x5a s MET 200 Ca -0.09 -2.71 -0.08 0.00 -1.25 0.00 0.00 55.69 51.56 2x5a s MET 200 Cb -0.01 -3.27 -0.05 0.00 2.84 0.00 0.00 34.83 34.34 2x5a s MET 200 CO 0.03 -1.14 0.24 0.20 -0.65 0.00 0.00 175.02 173.70 2x5a s GLY 201 N -0.45 2.26 -0.43 2.11 0.00 -0.64 -2.89 107.32 107.27 2x5a s GLY 201 Ca 0.18 -0.54 -0.07 0.00 0.00 0.00 0.00 44.72 44.30 2x5a s GLY 201 CO -0.03 -0.29 0.27 -0.42 0.00 0.00 0.00 173.10 172.62 2x5a s ILE 202 N -1.16 3.83 -0.12 0.90 1.01 0.04 -1.53 121.20 124.16 2x5a s ILE 202 Ca 0.22 -1.81 -0.21 0.00 0.00 0.00 0.00 60.65 58.86 2x5a s ILE 202 Cb -0.13 -3.51 -0.04 0.00 0.01 0.00 0.00 42.46 38.79 2x5a s ILE 202 CO 0.11 -0.68 0.59 -0.76 0.00 0.00 0.00 174.94 174.21 2x5a s LEU 203 N 1.29 4.25 -0.43 2.97 1.43 0.10 -2.46 118.68 125.83 2x5a s LEU 203 Ca 0.06 0.94 -0.11 0.00 -1.03 0.00 0.00 54.13 53.99 2x5a s LEU 203 Cb -0.24 -2.88 0.08 0.00 0.03 0.00 0.00 46.19 43.18 2x5a s LEU 203 CO -0.02 -0.12 0.29 -0.31 0.23 0.00 0.00 176.35 176.43 2x5a s TYR 204 N 1.05 3.32 0.42 0.29 2.02 -0.86 0.68 117.35 124.27 2x5a s TYR 204 Ca 0.31 -1.40 -0.18 0.00 -0.37 0.00 0.00 57.07 55.42 2x5a s TYR 204 Cb -0.16 -3.03 -0.10 0.00 -0.40 0.00 0.00 41.96 38.27 2x5a s TYR 204 CO 0.13 -0.84 0.90 -1.25 -1.57 0.00 0.00 175.55 172.92 2x5a s PRO 205 N 1.47 4.12 -0.07 -1.71 0.05 -1.26 -1.08 135.00 136.52 2x5a s PRO 205 Ca 0.03 0.97 -0.05 0.00 0.05 0.00 0.00 61.00 61.99 2x5a s PRO 205 Cb -0.23 -2.24 -0.02 0.00 0.05 0.00 0.00 34.50 32.06 2x5a s PRO 205 CO 0.03 -0.03 -0.11 1.63 0.05 0.00 0.00 177.00 178.58 2x5a n LYS 206 N -0.76 0.21 -4.17 4.56 5.02 -0.81 -4.64 118.16 117.58 2x5a n LYS 206 Ca 0.06 0.27 -0.35 0.00 -2.02 0.00 0.00 58.31 56.27 2x5a n LYS 206 Cb 0.54 -1.07 -0.09 0.00 -0.02 0.00 0.00 35.03 34.38 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 -6.19 3.75 0.41 -0.35 1.43 -1.26 -4.99 118.68 111.48 2x5a s LEU 207 Ca -0.09 0.14 -0.22 0.00 -1.03 0.00 0.00 54.13 52.93 2x5a s LEU 207 Cb 0.01 -1.91 -0.10 0.00 0.03 0.00 0.00 46.19 44.23 2x5a s LEU 207 CO 0.13 0.29 0.99 -2.16 0.23 0.00 0.00 176.35 175.83 2x5a s PRO 208 N -0.33 4.19 0.00 1.29 0.04 -1.26 -3.80 135.00 135.13 2x5a s PRO 208 Ca 0.08 1.30 0.00 0.00 0.04 0.00 0.00 61.00 62.42 2x5a s PRO 208 Cb -0.12 -2.36 0.00 0.00 0.04 0.00 0.00 34.50 32.06 2x5a s PRO 208 CO 0.02 -0.08 0.00 1.63 0.04 0.00 0.00 177.00 178.60 2x5a n LYS 209 N -0.35 -0.03 -4.37 4.56 5.02 -0.36 -5.00 118.16 117.63 2x5a n LYS 209 Ca 0.06 0.01 -0.34 0.00 -2.02 0.00 0.00 58.31 56.02 2x5a n LYS 209 Cb 0.52 -2.76 -0.11 0.00 -0.02 0.00 0.00 35.03 32.66 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 -3.43 4.12 -0.22 -0.18 2.01 -1.25 -4.84 115.64 111.85 2x5a s THR 210 Ca 0.00 -0.30 -0.32 0.00 0.31 0.00 0.00 61.69 61.38 2x5a s THR 210 Cb 0.00 -2.77 -0.09 0.00 0.01 0.00 0.00 72.50 69.65 2x5a s THR 210 CO 0.00 0.54 2.13 -0.81 -0.69 0.00 0.00 174.62 175.79 2x5a n PRO 211 N 2.90 1.77 -4.37 4.92 -0.04 -1.26 -4.64 135.00 134.29 2x5a n PRO 211 Ca -0.18 0.54 -0.34 0.00 -0.04 0.00 0.00 63.50 63.49 2x5a n PRO 211 Cb 0.53 -2.85 -0.14 0.00 -0.04 0.00 0.00 33.50 31.01 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 6.86 2.78 0.00 0.55 0.00 0.67 -4.34 121.76 128.27 2x5a s ALA 212 Ca 1.01 -0.98 0.00 0.00 0.00 0.00 0.00 51.96 52.00 2x5a s ALA 212 Cb -0.59 -1.47 0.00 0.00 0.00 0.00 0.00 23.12 21.06 2x5a s ALA 212 CO 0.44 -0.01 0.00 0.41 0.00 0.00 0.00 175.76 176.60 2x5a n GLY 213 N 4.00 2.32 3.85 0.00 0.00 -0.67 -1.72 105.19 112.96 2x5a n GLY 213 Ca -0.18 -1.11 -0.32 0.00 0.00 0.00 0.00 46.02 44.41 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 -2.00 4.67 0.16 1.61 -7.23 -1.05 -1.52 120.40 115.04 2x5a s VAL 214 Ca 0.00 0.95 0.08 0.00 -1.81 0.00 0.00 61.98 61.21 2x5a s VAL 214 Cb 0.00 -3.62 -0.04 0.00 0.56 0.00 0.00 36.38 33.28 2x5a s VAL 214 CO 0.00 -0.24 -0.18 0.00 -0.31 0.00 0.00 175.10 174.37 2x5a s ARG 215 N -3.12 1.24 -0.10 4.82 1.70 -0.46 -1.00 118.95 122.03 2x5a s ARG 215 Ca 0.55 -1.38 0.03 0.00 -0.47 0.00 0.00 55.73 54.46 2x5a s ARG 215 Cb -0.10 -1.28 -0.00 0.00 -0.57 0.00 0.00 34.95 33.00 2x5a s ARG 215 CO 0.19 0.26 -0.22 -0.06 -1.08 0.00 0.00 175.30 174.38 2x5a s PHE 216 N -2.04 2.60 -0.11 5.89 0.08 -0.27 -1.24 117.98 122.89 2x5a s PHE 216 Ca 0.15 -0.98 -0.06 0.00 0.12 0.00 0.00 56.93 56.16 2x5a s PHE 216 Cb -0.06 -1.73 -0.04 0.00 -0.57 0.00 0.00 43.02 40.63 2x5a s PHE 216 CO 0.06 -0.38 0.10 -0.51 -0.10 0.00 0.00 175.22 174.39 2x5a s LEU 217 N 0.33 4.16 0.00 -0.37 1.43 0.98 -3.02 118.68 122.18 2x5a s LEU 217 Ca -0.17 0.38 -0.08 0.00 -1.03 0.00 0.00 54.13 53.22 2x5a s LEU 217 Cb -0.18 -2.00 0.15 0.00 0.03 0.00 0.00 46.19 44.20 2x5a s LEU 217 CO 0.08 0.40 0.92 -0.90 0.23 0.00 0.00 176.35 177.08 2x5a n ASP 218 N 2.03 0.41 0.33 2.29 3.85 -0.40 -1.50 116.55 123.55 2x5a n ASP 218 Ca -0.20 -1.54 0.22 0.00 -0.71 0.00 0.00 54.79 52.57 2x5a n ASP 218 Cb 0.55 -0.67 1.18 0.00 -1.35 0.00 0.00 41.12 40.83 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 -1.02 0.00 -0.40 -1.12 -0.00 -1.89 -2.63 116.42 109.36 2x5a h ASP 219 Ca -0.30 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 56.73 2x5a h ASP 219 Cb 0.91 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 40.24 2x5a h ASP 219 CO 0.24 0.00 0.00 2.30 -0.00 0.00 0.00 179.24 181.78 2x5a n ILE 220 N -3.06 0.60 -2.08 4.15 -5.35 -1.26 -4.98 119.36 107.37 2x5a n ILE 220 Ca -0.03 -0.80 -0.02 0.00 -0.27 0.00 0.00 62.75 61.63 2x5a n ILE 220 Cb 0.08 0.88 -0.00 0.00 -1.74 0.00 0.00 39.64 38.86 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 1.31 0.32 3.67 3.28 0.00 -0.99 -5.08 105.19 107.71 2x5a n GLY 221 Ca 0.18 -0.79 -0.23 0.00 0.00 0.00 0.00 46.02 45.18 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 -2.92 4.71 -0.17 1.61 0.01 -1.26 -4.90 114.94 112.02 2x5a s ASN 222 Ca 0.00 -0.57 -0.08 0.00 -0.71 0.00 0.00 52.86 51.51 2x5a s ASN 222 Cb -0.00 -0.94 -0.04 0.00 0.41 0.00 0.00 41.25 40.67 2x5a s ASN 222 CO 0.00 0.00 0.09 -0.70 -1.51 0.00 0.00 177.10 174.98 2x5a s GLU 223 N -3.65 3.90 -0.19 -0.60 2.12 -1.26 -1.28 118.70 117.74 2x5a s GLU 223 Ca 0.31 -0.29 -0.07 0.00 0.36 0.00 0.00 54.97 55.29 2x5a s GLU 223 Cb -0.07 -3.24 -0.09 0.00 0.26 0.00 0.00 34.13 30.99 2x5a s GLU 223 CO 0.21 0.38 -0.22 2.48 -0.54 0.00 0.00 175.26 177.56 2x5a n TYR 224 N 3.23 0.00 -4.13 5.30 0.18 -1.17 -5.01 117.16 115.56 2x5a n TYR 224 Ca -0.17 0.00 -0.14 0.00 1.88 0.00 0.00 57.90 59.47 2x5a n TYR 224 Cb 0.53 -0.68 -0.11 0.00 -0.38 0.00 0.00 39.34 38.69 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 -2.35 0.80 -0.24 -3.48 -1.32 -1.26 -4.29 115.64 103.50 2x5a s THR 225 Ca -0.26 -1.39 -0.11 0.00 -1.21 0.00 0.00 61.69 58.71 2x5a s THR 225 Cb 0.09 -1.05 0.08 0.00 -1.51 0.00 0.00 72.50 70.11 2x5a s THR 225 CO 0.35 -0.45 0.55 0.00 -2.21 0.00 0.00 174.62 172.87 2x5a s ALA 226 N -1.92 -1.54 -0.63 11.08 0.00 -0.76 -1.12 121.76 126.87 2x5a s ALA 226 Ca -0.01 2.00 -0.15 0.00 0.00 0.00 0.00 51.96 53.79 2x5a s ALA 226 Cb -0.06 -1.33 0.16 0.00 0.00 0.00 0.00 23.12 21.89 2x5a s ALA 226 CO 0.00 -0.51 0.58 0.42 0.00 0.00 0.00 175.76 176.26 2x5a s ILE 227 N 1.96 5.33 -0.07 0.00 -1.09 -0.17 -2.44 121.20 124.72 2x5a s ILE 227 Ca -0.08 -1.79 0.03 0.00 -2.23 0.00 0.00 60.65 56.58 2x5a s ILE 227 Cb -0.08 -4.38 0.01 0.00 -1.58 0.00 0.00 42.46 36.42 2x5a s ILE 227 CO -0.16 -0.92 -0.17 0.54 -1.23 0.00 0.00 174.94 172.99 2x5a s VAL 228 N 1.17 1.53 -0.02 2.92 0.11 -1.26 -2.52 120.40 122.34 2x5a s VAL 228 Ca 0.08 -0.72 0.06 0.00 -2.93 0.00 0.00 61.98 58.47 2x5a s VAL 228 Cb -0.24 -1.35 -0.02 0.00 -1.53 0.00 0.00 36.38 33.24 2x5a s VAL 228 CO -0.01 0.44 -0.21 -0.36 -3.33 0.00 0.00 175.10 171.64 2x5a s PHE 229 N 0.45 2.49 -0.53 1.54 0.08 -0.70 -1.06 117.98 120.25 2x5a s PHE 229 Ca -0.15 -0.32 -0.01 0.00 0.12 0.00 0.00 56.93 56.58 2x5a s PHE 229 Cb -0.16 -1.53 0.14 0.00 -0.57 0.00 0.00 43.02 40.89 2x5a s PHE 229 CO 0.05 0.09 0.31 -1.59 -0.10 0.00 0.00 175.22 173.98 2x5a s LYS 230 N -0.80 2.22 0.49 0.44 -2.85 -1.21 -0.24 119.74 117.78 2x5a s LYS 230 Ca 0.11 -2.31 -0.07 0.00 -1.00 0.00 0.00 55.97 52.70 2x5a s LYS 230 Cb -0.10 -3.57 -0.04 0.00 -2.06 0.00 0.00 37.83 32.05 2x5a s LYS 230 CO 0.00 -1.12 0.81 0.95 0.10 0.00 0.00 175.35 176.10 2x5a s THR 231 N 0.28 4.86 -0.02 3.79 -4.23 -1.26 -4.93 115.64 114.13 2x5a s THR 231 Ca 0.14 0.36 -0.10 0.00 -1.18 0.00 0.00 61.69 60.91 2x5a s THR 231 Cb -0.22 -3.84 -0.31 0.00 1.34 0.00 0.00 72.50 69.47 2x5a s THR 231 CO -0.03 -0.83 0.80 -0.33 -0.54 0.00 0.00 174.62 173.69 2x5a h GLU 232 N 0.34 0.40 -5.99 3.99 3.07 -1.95 -0.93 114.58 113.50 2x5a h GLU 232 Ca -0.47 -0.68 -0.58 0.00 -0.50 0.00 0.00 59.36 57.13 2x5a h GLU 232 Cb 1.20 0.25 -0.14 0.00 -0.84 0.00 0.00 28.75 29.22 2x5a h GLU 232 CO 0.62 1.30 -0.73 -0.65 -1.40 0.00 0.00 179.01 178.16 2x5a s GLN 233 N -2.59 1.67 -0.25 2.33 -1.52 -1.26 -4.33 119.66 113.71 2x5a s GLN 233 Ca -0.12 -1.80 -0.29 0.00 -1.95 0.00 0.00 55.36 51.20 2x5a s GLN 233 Cb 0.05 -1.62 -0.02 0.00 -0.22 0.00 0.00 33.01 31.20 2x5a s GLN 233 CO 0.88 0.23 1.63 0.08 -0.25 0.00 0.00 175.29 177.86 2x5a s VAL 234 N -2.64 3.68 0.32 1.09 1.01 -1.26 -4.78 120.40 117.81 2x5a s VAL 234 Ca 0.30 0.75 -0.27 0.00 0.00 0.00 0.00 61.98 62.76 2x5a s VAL 234 Cb -0.02 -3.73 -0.10 0.00 0.00 0.00 0.00 36.38 32.54 2x5a s VAL 234 CO 0.14 -0.34 0.98 -1.10 0.00 0.00 0.00 175.10 174.79 2x5a s GLN 235 N 4.82 4.57 0.35 2.72 -1.52 -1.26 -4.95 119.66 124.38 2x5a s GLN 235 Ca 0.72 1.45 0.10 0.00 -1.95 0.00 0.00 55.36 55.67 2x5a s GLN 235 Cb -0.24 -2.89 0.64 0.00 -0.22 0.00 0.00 33.01 30.30 2x5a s GLN 235 CO 0.30 0.25 1.80 -0.44 -0.25 0.00 0.00 175.29 176.94 2x5a h ASP 236 N 3.32 0.13 -3.07 5.90 3.32 -1.43 -3.39 116.42 121.20 2x5a h ASP 236 Ca -0.47 -0.04 0.07 0.00 0.02 0.00 0.00 57.03 56.61 2x5a h ASP 236 Cb 1.20 -0.03 -0.26 0.00 0.22 0.00 0.00 39.33 40.45 2x5a h ASP 236 CO 0.65 0.47 0.43 -0.72 -1.72 0.00 0.00 179.24 178.35 2x5a s TYR 237 N -4.27 -0.51 -0.20 4.55 1.13 -1.10 -4.56 117.35 112.39 2x5a s TYR 237 Ca -0.04 1.18 -0.12 0.00 -1.41 0.00 0.00 57.07 56.68 2x5a s TYR 237 Cb 0.14 0.37 -0.05 0.00 -1.10 0.00 0.00 41.96 41.32 2x5a s TYR 237 CO 0.74 -0.25 0.23 0.42 -2.51 0.00 0.00 175.55 174.19 2x5a s ILE 238 N 0.48 5.33 -0.28 -3.49 1.01 0.22 -1.04 121.20 123.41 2x5a s ILE 238 Ca 0.01 0.39 -0.09 0.00 0.00 0.00 0.00 60.65 60.95 2x5a s ILE 238 Cb -0.05 -3.57 -0.02 0.00 0.01 0.00 0.00 42.46 38.83 2x5a s ILE 238 CO -0.08 0.37 0.12 -0.22 0.00 0.00 0.00 174.94 175.13 2x5a s LEU 239 N 0.74 3.85 -0.11 2.97 0.20 0.14 0.01 118.68 126.49 2x5a s LEU 239 Ca 0.12 -0.36 0.03 0.00 0.69 0.00 0.00 54.13 54.62 2x5a s LEU 239 Cb -0.13 -1.98 -0.00 0.00 -0.43 0.00 0.00 46.19 43.64 2x5a s LEU 239 CO 0.03 -0.12 -0.21 0.27 -0.29 0.00 0.00 176.35 176.03 2x5a s ILE 240 N 1.63 2.29 -0.09 6.68 -4.36 -0.58 -1.55 121.20 125.22 2x5a s ILE 240 Ca 0.05 -0.94 0.02 0.00 -0.26 0.00 0.00 60.65 59.53 2x5a s ILE 240 Cb -0.16 -1.90 0.01 0.00 1.25 0.00 0.00 42.46 41.66 2x5a s ILE 240 CO 0.06 0.55 -0.14 0.21 0.24 0.00 0.00 174.94 175.85 2x5a s ASN 241 N 0.34 2.26 0.00 4.36 3.84 0.91 -1.62 114.94 125.03 2x5a s ASN 241 Ca -0.17 -0.39 0.26 0.00 0.21 0.00 0.00 52.86 52.78 2x5a s ASN 241 Cb -0.18 -1.01 0.72 0.00 -0.55 0.00 0.00 41.25 40.23 2x5a s ASN 241 CO 0.08 0.02 1.56 0.41 -2.79 0.00 0.00 177.10 176.39 2x5a n THR 242 N 4.06 0.00 -1.68 -5.21 -1.04 -0.76 -2.91 114.28 106.74 2x5a n THR 242 Ca -0.20 -0.34 -0.45 0.00 -2.04 0.00 0.00 64.05 61.02 2x5a n THR 242 Cb 0.51 0.88 -0.04 0.00 -1.82 0.00 0.00 70.33 69.87 2x5a n THR 242 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 2x5a n ASP 243 N 0.60 3.28 -0.19 8.00 2.03 -1.26 -4.77 116.55 124.24 2x5a n ASP 243 Ca 0.17 1.09 -0.07 0.00 0.52 0.00 0.00 54.79 56.50 2x5a n ASP 243 Cb 0.45 -1.47 0.02 0.00 -0.72 0.00 0.00 41.12 39.40 2x5a n ASP 243 CO 0.00 0.00 0.00 -0.37 -1.92 0.00 0.00 177.20 174.91 2x5a h VAL 244 N 3.55 1.19 -0.20 5.18 -1.51 -1.96 -2.86 116.25 119.63 2x5a h VAL 244 Ca -0.45 -0.47 -0.06 0.00 -1.23 0.00 0.00 66.70 64.49 2x5a h VAL 244 Cb 1.24 0.49 -0.01 0.00 -2.13 0.00 0.00 31.29 30.89 2x5a h VAL 244 CO 0.88 0.20 -0.09 0.78 -1.23 0.00 0.00 177.57 178.11 2x5a h ASN 245 N 0.74 0.43 -2.43 4.19 2.35 -2.00 -3.38 115.58 115.48 2x5a h ASN 245 Ca 0.19 -0.41 -0.59 0.00 -0.55 0.00 0.00 56.30 54.94 2x5a h ASN 245 Cb 0.05 -0.12 -0.40 0.00 0.05 0.00 0.00 38.32 37.90 2x5a h ASN 245 CO -0.03 0.74 -0.80 -0.90 -1.65 0.00 0.00 177.43 174.79 2x5a n ASP 246 N -4.57 1.71 -4.72 5.81 5.75 -1.23 -5.10 116.55 114.20 2x5a n ASP 246 Ca -0.05 -2.95 -0.42 0.00 -0.01 0.00 0.00 54.79 51.36 2x5a n ASP 246 Cb 0.32 -0.66 -0.03 0.00 -1.03 0.00 0.00 41.12 39.72 2x5a n ASP 246 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 2x5a s GLU 247 N -1.30 4.28 -0.08 0.11 2.02 -1.08 -4.70 118.70 117.95 2x5a s GLU 247 Ca 0.33 2.22 0.02 0.00 0.02 0.00 0.00 54.97 57.57 2x5a s GLU 247 Cb 0.08 -3.19 0.01 0.00 0.10 0.00 0.00 34.13 31.13 2x5a s GLU 247 CO -0.12 -0.49 -0.15 0.99 0.02 0.00 0.00 175.26 175.51 2x5a s THR 248 N 0.88 1.35 -0.45 3.63 2.01 -1.15 -4.98 115.64 116.93 2x5a s THR 248 Ca 0.65 -0.59 0.07 0.00 0.31 0.00 0.00 61.69 62.13 2x5a s THR 248 Cb -0.40 -1.22 0.23 0.00 0.01 0.00 0.00 72.50 71.12 2x5a s THR 248 CO 0.33 0.40 0.53 -1.22 -0.69 0.00 0.00 174.62 173.97 2x5a n TYR 249 N 3.87 0.40 -4.86 4.92 4.01 -1.25 -0.06 117.16 124.19 2x5a n TYR 249 Ca -0.21 -3.65 -0.33 0.00 -0.16 0.00 0.00 57.90 53.55 2x5a n TYR 249 Cb 0.52 -0.29 -0.15 0.00 -0.31 0.00 0.00 39.34 39.11 2x5a n TYR 249 CO 0.00 0.00 0.00 1.14 -0.46 0.00 0.00 176.86 177.54 2x5a s GLN 250 N -1.19 3.27 -0.49 -0.72 -2.07 -0.59 -0.02 119.66 117.85 2x5a s GLN 250 Ca 0.35 -0.72 -0.20 0.00 -1.82 0.00 0.00 55.36 52.97 2x5a s GLN 250 Cb 0.13 -2.56 0.04 0.00 -1.09 0.00 0.00 33.01 29.53 2x5a s GLN 250 CO -0.11 0.24 0.68 0.20 -1.32 0.00 0.00 175.29 174.98 2x5a s GLY 251 N 0.28 1.69 -0.01 2.60 0.00 0.59 -0.68 107.32 111.79 2x5a s GLY 251 Ca -0.11 -1.48 -0.22 0.00 0.00 0.00 0.00 44.72 42.91 2x5a s GLY 251 CO 0.06 1.59 0.65 -0.98 0.00 0.00 0.00 173.10 174.42 2x5a s TRP 252 N 2.91 3.67 -0.16 1.90 0.52 -0.21 -2.11 118.94 125.47 2x5a s TRP 252 Ca 0.20 1.27 -0.02 0.00 0.02 0.00 0.00 56.10 57.56 2x5a s TRP 252 Cb -0.16 -2.69 0.05 0.00 -1.15 0.00 0.00 33.47 29.51 2x5a s TRP 252 CO 0.15 0.28 0.02 0.21 0.02 0.00 0.00 176.95 177.63 2x5a s LYS 253 N 0.05 0.69 7.42 4.98 2.20 -0.75 -0.97 119.74 133.35 2x5a s LYS 253 Ca 0.34 -0.27 0.00 0.00 -0.36 0.00 0.00 55.97 55.68 2x5a s LYS 253 Cb -0.19 -1.78 0.00 0.00 -1.51 0.00 0.00 37.83 34.35 2x5a s LYS 253 CO 0.19 -0.53 0.00 0.41 -0.36 0.00 0.00 175.35 175.05 2x5a n GLY 254 N 5.07 3.03 0.63 5.54 0.00 -1.26 -1.76 105.19 116.44 2x5a n GLY 254 Ca -0.09 0.01 0.07 0.00 0.00 0.00 0.00 46.02 46.02 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 0.18 -3.55 2.61 -2.24 -1.26 -4.99 114.28 105.03 2x5a n THR 255 Ca 0.00 -0.59 -0.36 0.00 -2.27 0.00 0.00 64.05 60.83 2x5a n THR 255 Cb 0.00 1.16 -0.07 0.00 -2.10 0.00 0.00 70.33 69.32 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 -1.17 5.31 -0.22 4.28 2.01 -0.72 -5.09 115.64 120.03 2x5a s THR 256 Ca 0.19 0.50 -0.08 0.00 0.31 0.00 0.00 61.69 62.62 2x5a s THR 256 Cb 0.13 -3.62 -0.04 0.00 0.01 0.00 0.00 72.50 68.99 2x5a s THR 256 CO 0.19 0.38 0.08 0.00 -0.69 0.00 0.00 174.62 174.57 2x5a s ALA 257 N 0.59 3.29 -0.09 7.40 0.00 -1.26 -1.81 121.76 129.88 2x5a s ALA 257 Ca 0.15 -0.97 0.02 0.00 0.00 0.00 0.00 51.96 51.16 2x5a s ALA 257 Cb -0.13 -2.05 -0.02 0.00 0.00 0.00 0.00 23.12 20.92 2x5a s ALA 257 CO 0.04 -0.22 -0.15 -0.51 0.00 0.00 0.00 175.76 174.92 2x5a s LEU 258 N 1.12 2.67 -0.18 0.00 1.43 -0.90 -4.97 118.68 117.85 2x5a s LEU 258 Ca 0.05 -0.29 -0.29 0.00 -1.03 0.00 0.00 54.13 52.57 2x5a s LEU 258 Cb -0.14 -1.57 -0.01 0.00 0.03 0.00 0.00 46.19 44.50 2x5a s LEU 258 CO 0.03 0.25 1.20 0.21 0.23 0.00 0.00 176.35 178.27 2x5a s ASN 259 N -0.15 6.99 0.00 2.29 2.47 -1.26 -0.30 114.94 124.98 2x5a s ASN 259 Ca -0.01 1.60 0.22 0.00 0.42 0.00 0.00 52.86 55.10 2x5a s ASN 259 Cb -0.14 -2.54 0.52 0.00 -1.45 0.00 0.00 41.25 37.64 2x5a s ASN 259 CO 0.03 -0.73 1.45 0.18 -3.72 0.00 0.00 177.10 174.31 2x5a n LEU 260 N 6.50 3.42 -0.03 3.21 4.77 0.98 -4.64 117.00 131.21 2x5a n LEU 260 Ca 0.13 -1.56 -0.09 0.00 -0.03 0.00 0.00 56.01 54.46 2x5a n LEU 260 Cb 0.45 -0.32 -0.03 0.00 -2.33 0.00 0.00 43.42 41.20 2x5a n LEU 260 CO 0.55 0.78 0.81 0.15 -1.33 0.00 0.00 177.39 178.35 2x5a h PHE 261 N 4.17 -0.18 0.00 -1.77 3.57 -1.92 -2.80 116.94 118.00 2x5a h PHE 261 Ca 0.00 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.48 2x5a h PHE 261 Cb 0.93 0.11 -0.01 0.00 2.79 0.00 0.00 35.95 39.77 2x5a h PHE 261 CO 0.32 -0.13 -0.18 -1.35 -2.23 0.00 0.00 178.31 174.74 2x5a h PRO 262 N -0.06 0.00 0.00 6.41 0.11 -1.97 -3.08 132.00 133.41 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 0.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.31 2x5a h PRO 262 CO -0.21 0.18 -0.07 0.28 -0.21 0.00 0.00 178.00 177.97 2x5a h VAL 263 N 0.00 0.00 -4.12 3.15 2.07 -1.85 -3.47 116.25 112.02 2x5a h VAL 263 Ca -0.00 -0.96 -0.54 0.00 0.82 0.00 0.00 66.70 66.02 2x5a h VAL 263 Cb 0.65 1.92 0.14 0.00 -1.52 0.00 0.00 31.29 32.48 2x5a h VAL 263 CO 0.02 0.00 0.47 -0.32 0.02 0.00 0.00 177.57 177.76 2x5a s MET 264 N -3.21 2.64 -0.51 1.57 0.00 -1.07 -3.34 119.30 115.39 2x5a s MET 264 Ca 0.07 1.88 -0.23 0.00 0.00 0.00 0.00 55.69 57.41 2x5a s MET 264 Cb 0.06 -1.88 0.04 0.00 0.00 0.00 0.00 34.83 33.05 2x5a s MET 264 CO 0.67 -1.48 0.82 0.34 0.00 0.00 0.00 175.02 175.37 2x5a s ASP 265 N -1.65 6.33 0.28 1.11 3.68 -0.23 -4.93 116.67 121.26 2x5a s ASP 265 Ca 0.78 -0.42 0.10 0.00 2.13 0.00 0.00 52.55 55.15 2x5a s ASP 265 Cb -0.32 -2.38 0.37 0.00 -1.45 0.00 0.00 42.92 39.13 2x5a s ASP 265 CO 0.38 -1.05 1.62 -0.26 0.13 0.00 0.00 175.17 175.99 2x5a h PHE 266 N 9.14 0.01 -0.03 -5.34 0.04 -1.92 -3.12 116.94 115.71 2x5a h PHE 266 Ca -0.26 -0.01 -0.25 0.00 2.80 0.00 0.00 57.97 60.26 2x5a h PHE 266 Cb 1.08 -0.00 0.01 0.00 2.20 0.00 0.00 35.95 39.24 2x5a h PHE 266 CO 0.84 0.61 -0.96 0.93 -0.60 0.00 0.00 178.31 179.13 2x5a h GLU 267 N 0.01 0.66 -0.28 1.51 4.39 -1.96 -3.32 114.58 115.59 2x5a h GLU 267 Ca -0.01 -0.66 -0.14 0.00 0.34 0.00 0.00 59.36 58.90 2x5a h GLU 267 Cb 1.07 0.18 -0.01 0.00 -0.10 0.00 0.00 28.75 29.89 2x5a h GLU 267 CO 0.08 1.26 -0.39 0.00 -1.16 0.00 0.00 179.01 178.80 2x5a h ARG 268 N 0.39 0.66 -5.85 2.33 3.08 -1.84 -3.38 114.38 109.78 2x5a h ARG 268 Ca -0.10 -0.33 -0.61 0.00 0.07 0.00 0.00 59.98 59.00 2x5a h ARG 268 Cb 1.60 0.00 -0.08 0.00 0.08 0.00 0.00 29.97 31.58 2x5a h ARG 268 CO 0.19 0.94 1.91 -0.47 -1.07 0.00 0.00 179.97 181.47 2x5a s TYR 269 N -4.30 2.61 -0.03 3.04 6.14 -1.02 -1.82 117.35 121.97 2x5a s TYR 269 Ca -0.08 -1.18 -0.12 0.00 0.64 0.00 0.00 57.07 56.33 2x5a s TYR 269 Cb 0.12 -4.64 -0.32 0.00 0.42 0.00 0.00 41.96 37.54 2x5a s TYR 269 CO 0.84 -1.76 0.76 -0.09 0.64 0.00 0.00 175.55 175.94 2x5a h ARG 270 N 8.31 0.43 -3.84 4.97 9.65 -1.75 -3.48 114.38 128.67 2x5a h ARG 270 Ca 0.37 -0.73 -0.11 0.00 -1.10 0.00 0.00 59.98 58.40 2x5a h ARG 270 Cb 0.91 0.27 -0.16 0.00 -1.39 0.00 0.00 29.97 29.60 2x5a h ARG 270 CO 1.42 1.35 -0.49 -0.08 2.80 0.00 0.00 179.97 184.96 2x5a s THR 271 N -2.59 0.15 -0.08 0.20 -1.32 -1.26 -5.06 115.64 105.68 2x5a s THR 271 Ca -0.14 -1.20 0.06 0.00 -1.21 0.00 0.00 61.69 59.20 2x5a s THR 271 Cb 0.05 -1.10 -0.24 0.00 -1.51 0.00 0.00 72.50 69.70 2x5a s THR 271 CO 0.88 -0.66 0.51 -1.14 -2.21 0.00 0.00 174.62 172.00 2x5a n ARG 272 N 0.45 0.68 -2.17 7.08 0.63 -1.26 -4.84 116.66 117.23 2x5a n ARG 272 Ca -0.17 0.27 -0.43 0.00 -0.92 0.00 0.00 57.85 56.60 2x5a n ARG 272 Cb 0.60 -1.75 -0.02 0.00 0.45 0.00 0.00 32.46 31.74 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 -2.58 3.77 -0.13 5.15 -1.09 -1.26 -4.74 121.20 120.33 2x5a s ILE 273 Ca -0.12 0.87 -0.19 0.00 -2.23 0.00 0.00 60.65 58.98 2x5a s ILE 273 Cb 0.07 -3.79 -0.04 0.00 -1.58 0.00 0.00 42.46 37.13 2x5a s ILE 273 CO 0.80 -0.33 0.53 -0.63 -1.23 0.00 0.00 174.94 174.08 2x5a s ILE 274 N 5.08 5.14 0.43 2.92 -1.09 -0.22 -4.99 121.20 128.46 2x5a s ILE 274 Ca 0.69 1.06 0.06 0.00 -2.23 0.00 0.00 60.65 60.22 2x5a s ILE 274 Cb -0.23 -3.87 0.01 0.00 -1.58 0.00 0.00 42.46 36.79 2x5a s ILE 274 CO 0.28 0.27 0.59 -1.61 -1.23 0.00 0.00 174.94 173.25 2x5a s GLU 275 N 0.90 2.87 0.08 2.79 0.41 -1.26 -1.74 118.70 122.75 2x5a s GLU 275 Ca 0.28 -1.03 -0.31 0.00 -0.41 0.00 0.00 54.97 53.50 2x5a s GLU 275 Cb -0.16 -2.71 -0.10 0.00 -1.78 0.00 0.00 34.13 29.39 2x5a s GLU 275 CO 0.12 -0.27 1.90 1.63 -0.49 0.00 0.00 175.26 178.15 2x5a n LYS 276 N -1.91 2.82 0.00 1.61 5.02 -1.26 -4.75 118.16 119.69 2x5a n LYS 276 Ca 0.05 1.03 0.00 0.00 -2.02 0.00 0.00 58.31 57.37 2x5a n LYS 276 Cb 0.59 -2.95 0.00 0.00 -0.02 0.00 0.00 35.03 32.65 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 4.38 -0.59 3.07 0.72 0.00 -0.90 -3.24 105.19 108.63 2x5a n GLY 277 Ca 0.19 -0.23 -0.10 0.00 0.00 0.00 0.00 46.02 45.88 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 -1.06 0.56 -0.14 1.61 -2.07 -0.56 -1.30 119.66 116.69 2x5a s GLN 278 Ca 0.00 -0.94 -0.06 0.00 -1.82 0.00 0.00 55.36 52.53 2x5a s GLN 278 Cb 0.00 -0.07 -0.04 0.00 -1.09 0.00 0.00 33.01 31.81 2x5a s GLN 278 CO 0.00 -0.02 0.09 1.41 -1.32 0.00 0.00 175.29 175.44 2x5a s MET 279 N -2.53 3.58 -0.05 9.60 -2.45 -0.76 -0.01 119.30 126.67 2x5a s MET 279 Ca -0.03 -0.26 0.04 0.00 -1.25 0.00 0.00 55.69 54.19 2x5a s MET 279 Cb -0.03 -3.13 -0.02 0.00 1.25 0.00 0.00 34.83 32.89 2x5a s MET 279 CO -0.03 0.56 -0.16 -1.21 1.05 0.00 0.00 175.02 175.23 2x5a s GLU 280 N -0.44 2.49 -0.29 4.11 2.02 -0.37 -4.20 118.70 122.02 2x5a s GLU 280 Ca 0.10 -0.74 -0.15 0.00 0.02 0.00 0.00 54.97 54.21 2x5a s GLU 280 Cb -0.12 -2.33 -0.03 0.00 0.10 0.00 0.00 34.13 31.75 2x5a s GLU 280 CO 0.02 0.58 0.37 -0.51 0.02 0.00 0.00 175.26 175.74 2x5a s LEU 281 N -0.64 4.14 -0.28 1.80 1.43 -1.26 -1.36 118.68 122.52 2x5a s LEU 281 Ca 0.10 0.14 -0.13 0.00 -1.03 0.00 0.00 54.13 53.21 2x5a s LEU 281 Cb -0.11 -2.40 -0.04 0.00 0.03 0.00 0.00 46.19 43.67 2x5a s LEU 281 CO 0.01 -0.23 0.26 -0.63 0.23 0.00 0.00 176.35 175.99 2x5a s ILE 282 N 2.06 5.26 -1.27 -0.59 1.01 -0.58 -4.48 121.20 122.60 2x5a s ILE 282 Ca 0.14 0.32 -0.04 0.00 0.00 0.00 0.00 60.65 61.07 2x5a s ILE 282 Cb -0.16 -3.60 -0.01 0.00 0.01 0.00 0.00 42.46 38.71 2x5a s ILE 282 CO 0.11 0.21 0.69 -3.20 0.00 0.00 0.00 174.94 172.75 2x5a n ASN 283 N 5.16 -2.15 -4.04 3.58 5.15 -1.26 -1.68 115.26 120.03 2x5a n ASN 283 Ca -0.12 -0.87 -0.22 0.00 -0.60 0.00 0.00 54.58 52.77 2x5a n ASN 283 Cb 0.51 -3.87 -0.16 0.00 -0.53 0.00 0.00 39.78 35.74 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 -6.59 1.81 -0.04 1.20 1.43 -1.26 -1.92 118.68 113.32 2x5a s LEU 284 Ca 0.12 -0.23 -0.06 0.00 -1.03 0.00 0.00 54.13 52.92 2x5a s LEU 284 Cb -0.03 -0.67 -0.28 0.00 0.03 0.00 0.00 46.19 45.23 2x5a s LEU 284 CO 0.83 0.09 0.70 0.77 0.23 0.00 0.00 176.35 178.96 2x5a h SER 285 N 6.37 0.47 -5.06 2.29 4.64 -1.37 -3.45 113.55 117.44 2x5a h SER 285 Ca -0.33 -0.73 -0.08 0.00 -0.47 0.00 0.00 61.79 60.18 2x5a h SER 285 Cb 1.17 -0.15 -0.16 0.00 -0.31 0.00 0.00 62.40 62.95 2x5a h SER 285 CO 0.48 1.62 -0.17 -0.75 -0.87 0.00 0.00 176.83 177.15 2x5a s LYS 286 N -2.59 0.90 -0.08 4.77 2.20 -1.23 -5.07 119.74 118.63 2x5a s LYS 286 Ca -0.14 -0.51 -0.09 0.00 -0.36 0.00 0.00 55.97 54.88 2x5a s LYS 286 Cb 0.06 0.39 0.02 0.00 -1.51 0.00 0.00 37.83 36.80 2x5a s LYS 286 CO 0.84 -0.31 0.24 0.00 -0.36 0.00 0.00 175.35 175.76 2x5a s ALA 287 N -2.81 -0.59 -0.18 3.13 0.00 -1.26 -2.04 121.76 118.00 2x5a s ALA 287 Ca -0.03 0.61 -0.02 0.00 0.00 0.00 0.00 51.96 52.52 2x5a s ALA 287 Cb -0.00 -0.33 0.05 0.00 0.00 0.00 0.00 23.12 22.84 2x5a s ALA 287 CO -0.05 -0.13 0.00 -1.21 0.00 0.00 0.00 175.76 174.37 2x5a s GLU 288 N -0.07 0.96 0.04 0.00 2.02 -1.03 -5.00 118.70 115.62 2x5a s GLU 288 Ca -0.02 -0.49 0.08 0.00 0.02 0.00 0.00 54.97 54.56 2x5a s GLU 288 Cb -0.02 -2.07 -0.03 0.00 0.10 0.00 0.00 34.13 32.11 2x5a s GLU 288 CO 0.01 -0.56 -0.20 -0.06 0.02 0.00 0.00 175.26 174.47 2x5a s PHE 289 N 1.75 2.51 -0.25 1.61 0.08 -1.24 -0.78 117.98 121.67 2x5a s PHE 289 Ca -0.01 -0.29 0.01 0.00 0.12 0.00 0.00 56.93 56.77 2x5a s PHE 289 Cb -0.17 -1.45 0.06 0.00 -0.57 0.00 0.00 43.02 40.90 2x5a s PHE 289 CO -0.07 0.23 -0.04 0.15 -0.10 0.00 0.00 175.22 175.39 2x5a s LYS 290 N -1.42 1.62 -0.22 0.44 -0.14 -1.14 -1.06 119.74 117.81 2x5a s LYS 290 Ca 0.14 -1.07 -0.10 0.00 -1.36 0.00 0.00 55.97 53.58 2x5a s LYS 290 Cb -0.10 -2.62 -0.05 0.00 -1.68 0.00 0.00 37.83 33.38 2x5a s LYS 290 CO 0.05 -0.63 0.14 0.42 -0.76 0.00 0.00 175.35 174.56 2x5a s ILE 291 N 1.35 5.35 -0.17 2.17 1.01 0.14 -1.70 121.20 129.35 2x5a s ILE 291 Ca -0.04 0.17 -0.04 0.00 0.00 0.00 0.00 60.65 60.74 2x5a s ILE 291 Cb -0.19 -3.47 -0.02 0.00 0.01 0.00 0.00 42.46 38.79 2x5a s ILE 291 CO -0.07 0.39 -0.04 -1.59 0.00 0.00 0.00 174.94 173.64 2x5a s LYS 292 N 0.71 3.59 -0.06 2.79 -2.85 -1.09 -1.04 119.74 121.79 2x5a s LYS 292 Ca 0.08 -0.55 0.01 0.00 -1.00 0.00 0.00 55.97 54.51 2x5a s LYS 292 Cb -0.12 -2.94 0.02 0.00 -2.06 0.00 0.00 37.83 32.72 2x5a s LYS 292 CO 0.01 0.12 -0.08 0.50 0.10 0.00 0.00 175.35 176.00 2x5a s ARG 293 N 0.68 1.30 0.43 1.78 3.52 -0.77 -3.18 118.95 122.71 2x5a s ARG 293 Ca -0.02 -0.25 -0.22 0.00 -0.13 0.00 0.00 55.73 55.11 2x5a s ARG 293 Cb -0.14 -1.19 -0.09 0.00 -1.56 0.00 0.00 34.95 31.96 2x5a s ARG 293 CO 0.02 -0.07 1.01 0.21 -0.81 0.00 0.00 175.30 175.67 2x5a s LYS 294 N 0.95 4.08 -0.06 5.12 2.20 -1.26 -0.15 119.74 130.61 2x5a s LYS 294 Ca -0.10 1.33 -0.03 0.00 -0.36 0.00 0.00 55.97 56.82 2x5a s LYS 294 Cb -0.15 -2.29 0.04 0.00 -1.51 0.00 0.00 37.83 33.92 2x5a s LYS 294 CO 0.00 -0.19 0.08 0.00 -0.36 0.00 0.00 175.35 174.89 2x5a s ALA 295 N -1.92 0.17 0.05 3.13 0.00 0.85 -4.91 121.76 119.13 2x5a s ALA 295 Ca 0.62 0.22 -0.24 0.00 0.00 0.00 0.00 51.96 52.55 2x5a s ALA 295 Cb -0.16 -0.70 -0.17 0.00 0.00 0.00 0.00 23.12 22.10 2x5a s ALA 295 CO 0.20 -0.57 1.57 -0.44 0.00 0.00 0.00 175.76 176.52 2x5a h ASP 296 N 8.42 -0.06 -3.48 0.00 5.19 -1.79 -3.36 116.42 121.33 2x5a h ASP 296 Ca -0.12 -0.15 -0.53 0.00 -0.62 0.00 0.00 57.03 55.60 2x5a h ASP 296 Cb 1.12 0.02 -0.33 0.00 0.18 0.00 0.00 39.33 40.32 2x5a h ASP 296 CO 0.16 0.11 -0.82 0.12 -3.12 0.00 0.00 179.24 175.69 2x5a s PHE 297 N -5.53 1.58 0.00 4.55 2.19 -1.26 -4.80 117.98 114.71 2x5a s PHE 297 Ca -0.14 -0.57 0.00 0.00 0.33 0.00 0.00 56.93 56.55 2x5a s PHE 297 Cb 0.04 -1.13 0.00 0.00 -1.31 0.00 0.00 43.02 40.62 2x5a s PHE 297 CO 0.65 -0.27 0.00 0.28 1.83 0.00 0.00 175.22 177.71