#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2x54 s VAL 2 N 0.00 3.64 0.30 0.00 1.01 -1.26 -4.48 120.40 119.61 2x54 s VAL 2 Ca 0.00 0.46 -0.29 0.00 0.00 0.00 0.00 61.98 62.15 2x54 s VAL 2 Cb 0.00 -3.52 -0.10 0.00 0.00 0.00 0.00 36.38 32.76 2x54 s VAL 2 CO 0.00 -0.66 1.24 -0.60 0.00 0.00 0.00 175.10 175.08 2x54 s ARG 3 N -5.29 4.45 -0.06 2.72 3.00 -1.26 -4.76 118.95 117.74 2x54 s ARG 3 Ca 0.57 2.07 0.06 0.00 -1.00 0.00 0.00 55.73 57.43 2x54 s ARG 3 Cb -0.11 -3.12 -0.01 0.00 0.00 0.00 0.00 34.95 31.71 2x54 s ARG 3 CO 0.51 -0.06 -0.25 -0.65 0.00 0.00 0.00 175.30 174.85 2x54 s GLN 4 N -1.53 2.60 -0.32 5.12 -1.52 0.17 -4.98 119.66 119.19 2x54 s GLN 4 Ca 0.48 -0.89 0.03 0.00 -1.95 0.00 0.00 55.36 53.04 2x54 s GLN 4 Cb -0.37 -2.16 0.09 0.00 -0.22 0.00 0.00 33.01 30.35 2x54 s GLN 4 CO 0.48 0.34 0.03 0.71 -0.25 0.00 0.00 175.29 176.60 2x54 s TYR 5 N -0.07 3.49 0.11 0.91 2.02 -1.26 -1.00 117.35 121.56 2x54 s TYR 5 Ca -0.06 -2.78 -0.01 0.00 -0.37 0.00 0.00 57.07 53.85 2x54 s TYR 5 Cb -0.14 -2.65 -0.04 0.00 -0.40 0.00 0.00 41.96 38.72 2x54 s TYR 5 CO 0.05 -0.93 0.28 0.15 -1.57 0.00 0.00 175.55 173.53 2x54 s LYS 6 N 1.00 3.50 -0.27 -0.62 3.01 -0.97 -1.38 119.74 124.01 2x54 s LYS 6 Ca 0.08 -0.35 0.02 0.00 -1.01 0.00 0.00 55.97 54.71 2x54 s LYS 6 Cb -0.19 -2.96 0.07 0.00 -1.01 0.00 0.00 37.83 33.75 2x54 s LYS 6 CO -0.09 0.54 -0.04 0.42 0.51 0.00 0.00 175.35 176.68 2x54 s ILE 7 N -1.62 1.93 -0.13 2.17 -1.09 0.06 -0.74 121.20 121.79 2x54 s ILE 7 Ca 0.37 -1.67 -0.08 0.00 -2.23 0.00 0.00 60.65 57.05 2x54 s ILE 7 Cb -0.12 -2.20 -0.04 0.00 -1.58 0.00 0.00 42.46 38.52 2x54 s ILE 7 CO 0.27 -0.22 0.15 -1.00 -1.23 0.00 0.00 174.94 172.91 2x54 s HIS 8 N 1.17 3.57 -0.06 3.97 3.76 0.24 -0.93 115.29 127.02 2x54 s HIS 8 Ca -0.02 0.51 -0.14 0.00 -0.15 0.00 0.00 55.06 55.26 2x54 s HIS 8 Cb -0.19 -1.99 -0.09 0.00 1.11 0.00 0.00 32.58 31.41 2x54 s HIS 8 CO -0.07 0.66 0.55 1.79 -0.85 0.00 0.00 174.74 176.82 2x54 h THR 9 N 4.09 0.29 -2.66 1.30 1.35 -1.63 -1.74 112.91 113.90 2x54 h THR 9 Ca -0.52 -0.90 -0.60 0.00 -0.55 0.00 0.00 66.41 63.84 2x54 h THR 9 Cb 1.22 0.50 -0.39 0.00 -1.73 0.00 0.00 68.15 67.74 2x54 h THR 9 CO 0.61 0.08 -0.84 0.21 -0.25 0.00 0.00 175.52 175.34 2x54 s ASN 10 N -5.26 2.79 0.51 5.36 2.47 -1.26 -4.52 114.94 115.03 2x54 s ASN 10 Ca -0.08 -2.80 -0.22 0.00 0.42 0.00 0.00 52.86 50.17 2x54 s ASN 10 Cb 0.00 -0.71 -0.06 0.00 -1.45 0.00 0.00 41.25 39.04 2x54 s ASN 10 CO 0.26 -0.22 1.33 -0.22 -3.72 0.00 0.00 177.10 174.53 2x54 s LEU 11 N 0.24 3.92 0.00 3.21 0.20 -1.26 -1.70 118.68 123.29 2x54 s LEU 11 Ca 0.24 2.69 0.00 0.00 0.69 0.00 0.00 54.13 57.75 2x54 s LEU 11 Cb -0.12 -4.22 0.00 0.00 -0.43 0.00 0.00 46.19 41.43 2x54 s LEU 11 CO -0.09 -1.38 0.00 -0.90 -0.29 0.00 0.00 176.35 173.69 2x54 n ASP 12 N -0.79 -2.52 -4.40 3.68 3.85 -1.26 -5.02 116.55 110.09 2x54 n ASP 12 Ca 0.09 0.00 -0.29 0.00 -0.71 0.00 0.00 54.79 53.88 2x54 n ASP 12 Cb 0.45 -0.91 -0.13 0.00 -1.35 0.00 0.00 41.12 39.18 2x54 n ASP 12 CO 0.00 0.00 0.00 -0.83 -1.01 0.00 0.00 177.20 175.36 2x54 s GLY 13 N -2.00 1.61 0.38 6.12 0.00 -0.69 -5.02 107.32 107.72 2x54 s GLY 13 Ca 0.00 -1.49 0.09 0.00 0.00 0.00 0.00 44.72 43.32 2x54 s GLY 13 CO 0.00 -1.47 1.91 -0.91 0.00 0.00 0.00 173.10 172.63 2x54 h THR 14 N 3.75 1.18 -0.70 0.90 1.35 -1.95 -2.84 112.91 114.60 2x54 h THR 14 Ca -0.50 -0.77 -0.45 0.00 -0.55 0.00 0.00 66.41 64.14 2x54 h THR 14 Cb 1.18 1.16 -0.20 0.00 -1.73 0.00 0.00 68.15 68.55 2x54 h THR 14 CO 0.41 0.24 0.58 -0.90 -0.25 0.00 0.00 175.52 175.61 2x54 n ASP 15 N -4.28 6.37 -4.77 5.36 5.68 -1.26 -4.97 116.55 118.67 2x54 n ASP 15 Ca -0.00 -3.32 -0.38 0.00 -0.50 0.00 0.00 54.79 50.58 2x54 n ASP 15 Cb 0.26 -0.97 -0.06 0.00 -1.14 0.00 0.00 41.12 39.21 2x54 n ASP 15 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 2x54 s ASP 16 N -0.65 7.44 -0.08 -1.12 2.15 -1.07 -4.40 116.67 118.94 2x54 s ASP 16 Ca 0.44 1.81 0.00 0.00 0.43 0.00 0.00 52.55 55.24 2x54 s ASP 16 Cb 0.35 -2.56 0.02 0.00 -0.30 0.00 0.00 42.92 40.43 2x54 s ASP 16 CO 0.01 0.07 -0.07 -0.75 -0.17 0.00 0.00 175.17 174.26 2x54 s LYS 17 N -1.58 1.26 -0.13 4.34 2.20 -1.26 -4.94 119.74 119.62 2x54 s LYS 17 Ca 0.44 -0.20 -0.03 0.00 -0.36 0.00 0.00 55.97 55.82 2x54 s LYS 17 Cb -0.22 -1.26 -0.03 0.00 -1.51 0.00 0.00 37.83 34.81 2x54 s LYS 17 CO 0.27 -0.15 -0.03 0.08 -0.36 0.00 0.00 175.35 175.15 2x54 s VAL 18 N 1.29 3.95 -0.18 4.02 1.01 -1.26 -1.71 120.40 127.52 2x54 s VAL 18 Ca -0.04 -0.35 -0.01 0.00 0.00 0.00 0.00 61.98 61.58 2x54 s VAL 18 Cb -0.14 -2.70 -0.00 0.00 0.00 0.00 0.00 36.38 33.54 2x54 s VAL 18 CO -0.03 0.52 -0.12 0.26 0.00 0.00 0.00 175.10 175.74 2x54 s TRP 19 N 0.01 2.85 -0.54 5.22 0.52 -0.10 -4.96 118.94 121.95 2x54 s TRP 19 Ca 0.01 -1.04 -0.21 0.00 0.02 0.00 0.00 56.10 54.88 2x54 s TRP 19 Cb -0.13 -1.97 0.06 0.00 -1.15 0.00 0.00 33.47 30.28 2x54 s TRP 19 CO 0.03 -0.51 0.75 0.34 0.02 0.00 0.00 176.95 177.57 2x54 s ASP 20 N 1.06 6.25 0.00 2.95 -1.08 -1.26 -0.76 116.67 123.84 2x54 s ASP 20 Ca -0.00 -0.77 0.29 0.00 -0.52 0.00 0.00 52.55 51.55 2x54 s ASP 20 Cb -0.15 -2.35 1.25 0.00 -1.46 0.00 0.00 42.92 40.22 2x54 s ASP 20 CO -0.03 -1.05 1.86 1.33 0.52 0.00 0.00 175.17 177.81 2x54 n VAL 21 N 5.82 0.00 -0.09 1.11 0.24 -0.48 -1.52 118.33 123.41 2x54 n VAL 21 Ca -0.04 -0.19 -0.10 0.00 -2.04 0.00 0.00 64.34 61.98 2x54 n VAL 21 Cb 0.46 0.26 -0.12 0.00 -1.47 0.00 0.00 33.84 32.97 2x54 n VAL 21 CO 0.00 0.00 0.00 0.41 -2.14 0.00 0.00 176.83 175.10 2x54 n THR 22 N -0.12 1.12 -0.02 3.34 -1.04 -1.24 -0.50 114.28 115.83 2x54 n THR 22 Ca 0.20 -0.62 -0.03 0.00 -2.04 0.00 0.00 64.05 61.56 2x54 n THR 22 Cb 0.30 -0.75 -0.03 0.00 -1.82 0.00 0.00 70.33 68.03 2x54 n THR 22 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 2x54 n ASN 23 N -2.73 3.84 -2.80 8.00 3.02 -1.25 -5.02 115.26 118.31 2x54 n ASN 23 Ca -0.29 -0.01 -0.04 0.00 -0.03 0.00 0.00 54.58 54.21 2x54 n ASN 23 Cb 0.99 0.24 0.04 0.00 -0.61 0.00 0.00 39.78 40.43 2x54 n ASN 23 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2x54 n GLY 24 N 3.03 -3.00 0.29 7.41 0.00 -0.58 -4.97 105.19 107.38 2x54 n GLY 24 Ca -0.07 -1.37 -0.09 0.00 0.00 0.00 0.00 46.02 44.49 2x54 n GLY 24 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2x54 h LYS 25 N 0.00 0.98 -4.71 1.61 1.79 -1.93 -3.40 116.57 110.91 2x54 h LYS 25 Ca -0.06 -0.35 -0.69 0.00 -2.18 0.00 0.00 60.65 57.38 2x54 h LYS 25 Cb 0.18 -0.07 -0.19 0.00 -1.58 0.00 0.00 32.23 30.56 2x54 h LYS 25 CO 0.04 1.02 -0.43 0.08 -1.08 0.00 0.00 179.45 179.08 2x54 s VAL 26 N -4.86 5.25 -0.03 0.50 1.01 -1.26 0.07 120.40 121.08 2x54 s VAL 26 Ca -0.11 -0.29 0.06 0.00 0.00 0.00 0.00 61.98 61.65 2x54 s VAL 26 Cb 0.13 -3.80 -0.02 0.00 0.00 0.00 0.00 36.38 32.69 2x54 s VAL 26 CO 0.85 -0.11 -0.20 -0.13 0.00 0.00 0.00 175.10 175.51 2x54 s ARG 27 N 1.78 2.27 -0.14 2.72 0.52 0.13 -3.95 118.95 122.27 2x54 s ARG 27 Ca 0.07 -0.84 -0.11 0.00 -0.52 0.00 0.00 55.73 54.34 2x54 s ARG 27 Cb -0.18 -2.20 -0.05 0.00 0.52 0.00 0.00 34.95 33.05 2x54 s ARG 27 CO 0.11 0.59 0.21 -0.06 0.02 0.00 0.00 175.30 176.16 2x54 s PHE 28 N -0.69 3.52 0.06 -0.53 0.40 0.34 -0.40 117.98 120.68 2x54 s PHE 28 Ca 0.11 0.54 0.00 0.00 -0.60 0.00 0.00 56.93 56.98 2x54 s PHE 28 Cb -0.10 -2.15 -0.04 0.00 0.51 0.00 0.00 43.02 41.24 2x54 s PHE 28 CO 0.00 0.46 -0.04 0.71 0.70 0.00 0.00 175.22 177.05 2x54 s TYR 29 N -0.22 0.62 -0.79 0.36 2.02 -0.56 -4.72 117.35 114.07 2x54 s TYR 29 Ca 0.14 -0.94 -0.03 0.00 -0.37 0.00 0.00 57.07 55.87 2x54 s TYR 29 Cb -0.12 -0.41 0.00 0.00 -0.40 0.00 0.00 41.96 41.03 2x54 s TYR 29 CO 0.03 -0.27 0.62 1.04 -1.57 0.00 0.00 175.55 175.40 2x54 n GLN 30 N 0.27 -1.55 -1.84 -0.62 6.02 -1.26 0.24 117.38 118.65 2x54 n GLN 30 Ca -0.15 0.92 -0.41 0.00 -0.01 0.00 0.00 57.00 57.35 2x54 n GLN 30 Cb 0.60 -2.80 -0.02 0.00 1.02 0.00 0.00 30.24 29.04 2x54 n GLN 30 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 2x54 s PRO 31 N -4.48 4.16 0.05 -1.09 0.04 -1.26 -4.35 135.00 128.07 2x54 s PRO 31 Ca 0.03 2.51 -0.30 0.00 0.04 0.00 0.00 61.00 63.28 2x54 s PRO 31 Cb -0.00 -3.03 -0.16 0.00 0.04 0.00 0.00 34.50 31.34 2x54 s PRO 31 CO 0.87 -0.56 1.45 0.66 0.04 0.00 0.00 177.00 179.46 2x54 h SER 32 N 4.56 -0.93 -3.38 6.66 4.64 -1.65 -3.45 113.55 119.99 2x54 h SER 32 Ca -0.47 0.04 -0.20 0.00 -0.47 0.00 0.00 61.79 60.68 2x54 h SER 32 Cb 1.22 0.25 -0.30 0.00 -0.31 0.00 0.00 62.40 63.26 2x54 h SER 32 CO 0.76 -0.65 -0.51 0.21 -0.87 0.00 0.00 176.83 175.78 2x54 s ASN 33 N -3.60 -0.23 0.00 4.97 2.47 -1.26 -5.01 114.94 112.27 2x54 s ASN 33 Ca -0.16 0.48 0.11 0.00 0.42 0.00 0.00 52.86 53.71 2x54 s ASN 33 Cb 0.02 0.37 0.03 0.00 -1.45 0.00 0.00 41.25 40.22 2x54 s ASN 33 CO 0.48 -0.16 0.75 0.18 -3.72 0.00 0.00 177.10 174.63 2x54 n LEU 34 N 4.18 1.56 0.00 3.21 4.77 -1.26 -4.68 117.00 124.78 2x54 n LEU 34 Ca -0.25 -0.85 0.00 0.00 -0.03 0.00 0.00 56.01 54.87 2x54 n LEU 34 Cb 0.53 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.62 2x54 n LEU 34 CO 0.15 0.30 0.00 0.61 -1.33 0.00 0.00 177.39 177.12 2x54 n GLY 35 N 0.84 0.83 3.34 -0.72 0.00 -1.26 -4.86 105.19 103.36 2x54 n GLY 35 Ca 0.06 -1.41 -0.12 0.00 0.00 0.00 0.00 46.02 44.55 2x54 n GLY 35 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2x54 s LEU 36 N 0.00 0.22 0.05 0.99 0.05 -1.26 -4.77 118.68 113.96 2x54 s LEU 36 Ca 0.00 -0.14 0.08 0.00 0.05 0.00 0.00 54.13 54.12 2x54 s LEU 36 Cb 0.00 1.94 -0.03 0.00 -2.05 0.00 0.00 46.19 46.05 2x54 s LEU 36 CO 0.00 -0.81 -0.22 -1.10 -0.55 0.00 0.00 176.35 173.67 2x54 s GLN 37 N -3.32 1.91 -0.01 1.48 -0.21 -0.72 -5.03 119.66 113.76 2x54 s GLN 37 Ca -0.00 -1.06 0.00 0.00 0.02 0.00 0.00 55.36 54.32 2x54 s GLN 37 Cb 0.01 -2.08 0.01 0.00 1.00 0.00 0.00 33.01 31.94 2x54 s GLN 37 CO -0.09 0.52 -0.01 0.45 -2.12 0.00 0.00 175.29 174.05 2x54 s SER 38 N -1.41 0.22 -0.40 5.90 0.15 -1.26 0.08 113.70 116.98 2x54 s SER 38 Ca 0.13 -0.02 -0.04 0.00 0.70 0.00 0.00 55.95 56.72 2x54 s SER 38 Cb -0.10 -0.05 0.10 0.00 -1.71 0.00 0.00 66.02 64.25 2x54 s SER 38 CO 0.04 -0.01 0.20 0.28 1.20 0.00 0.00 173.24 174.96 2x54 s THR 39 N 0.20 3.50 -1.09 6.45 -1.32 -0.92 -4.96 115.64 117.50 2x54 s THR 39 Ca -0.02 -1.85 0.29 0.00 -1.21 0.00 0.00 61.69 58.90 2x54 s THR 39 Cb -0.04 -3.30 0.27 0.00 -1.51 0.00 0.00 72.50 67.93 2x54 s THR 39 CO -0.01 -0.60 1.91 0.59 -2.21 0.00 0.00 174.62 174.29 2x54 n ASN 40 N 4.68 0.06 -3.72 8.08 3.02 -1.26 -1.81 115.26 124.31 2x54 n ASN 40 Ca -0.05 0.30 -0.22 0.00 -0.03 0.00 0.00 54.58 54.57 2x54 n ASN 40 Cb 0.42 -0.39 0.03 0.00 -0.61 0.00 0.00 39.78 39.23 2x54 n ASN 40 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 2x54 n ASN 41 N -1.45 -1.82 -4.59 6.41 3.02 -1.26 -2.86 115.26 112.71 2x54 n ASN 41 Ca 0.08 -0.80 -0.43 0.00 -0.03 0.00 0.00 54.58 53.40 2x54 n ASN 41 Cb 0.32 -4.09 -0.04 0.00 -0.61 0.00 0.00 39.78 35.37 2x54 n ASN 41 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2x54 s ILE 42 N -3.60 4.52 -0.11 2.41 1.01 -1.26 -2.76 121.20 121.41 2x54 s ILE 42 Ca 0.11 1.07 -0.01 0.00 0.00 0.00 0.00 60.65 61.81 2x54 s ILE 42 Cb -0.05 -4.39 -0.03 0.00 0.01 0.00 0.00 42.46 38.00 2x54 s ILE 42 CO 0.81 -0.66 -0.05 -1.66 0.00 0.00 0.00 174.94 173.38 2x54 s TRP 43 N 3.64 3.01 -0.12 3.97 1.48 -0.80 -4.98 118.94 125.13 2x54 s TRP 43 Ca 0.39 -0.10 0.01 0.00 -1.06 0.00 0.00 56.10 55.34 2x54 s TRP 43 Cb -0.11 -1.83 -0.01 0.00 -1.16 0.00 0.00 33.47 30.36 2x54 s TRP 43 CO 0.22 0.19 -0.16 -0.65 -4.06 0.00 0.00 176.95 172.49 2x54 s GLN 44 N -0.32 3.28 -0.21 3.25 -0.21 -1.26 -1.88 119.66 122.30 2x54 s GLN 44 Ca 0.05 -0.74 -0.03 0.00 0.02 0.00 0.00 55.36 54.66 2x54 s GLN 44 Cb -0.12 -2.54 -0.01 0.00 1.00 0.00 0.00 33.01 31.34 2x54 s GLN 44 CO 0.02 0.22 -0.05 0.45 -2.12 0.00 0.00 175.29 173.81 2x54 s SER 45 N 0.32 4.26 -1.52 5.90 0.15 -0.29 -4.76 113.70 117.75 2x54 s SER 45 Ca -0.13 -0.39 -0.04 0.00 0.70 0.00 0.00 55.95 56.10 2x54 s SER 45 Cb -0.16 -1.72 0.04 0.00 -1.71 0.00 0.00 66.02 62.46 2x54 s SER 45 CO 0.06 -0.00 0.35 -3.20 1.20 0.00 0.00 173.24 171.65 2x54 n ASN 46 N 4.68 -0.44 0.00 5.45 5.15 -1.26 -1.19 115.26 127.65 2x54 n ASN 46 Ca -0.18 -1.10 0.00 0.00 -0.60 0.00 0.00 54.58 52.69 2x54 n ASN 46 Cb 0.51 -2.48 0.00 0.00 -0.53 0.00 0.00 39.78 37.28 2x54 n ASN 46 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2x54 n GLY 47 N -2.04 3.00 3.74 8.20 0.00 -1.26 -5.00 105.19 111.83 2x54 n GLY 47 Ca -0.24 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.38 2x54 n GLY 47 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2x54 s ILE 48 N -1.19 4.52 -0.20 -0.61 1.01 -0.33 -5.05 121.20 119.35 2x54 s ILE 48 Ca 0.00 1.91 -0.07 0.00 0.00 0.00 0.00 60.65 62.49 2x54 s ILE 48 Cb 0.00 -4.25 -0.04 0.00 0.01 0.00 0.00 42.46 38.18 2x54 s ILE 48 CO 0.00 0.36 0.06 -0.83 0.00 0.00 0.00 174.94 174.54 2x54 s GLY 49 N -0.21 1.87 -0.12 6.18 0.00 -1.26 -1.13 107.32 112.64 2x54 s GLY 49 Ca 0.43 -0.85 0.00 0.00 0.00 0.00 0.00 44.72 44.31 2x54 s GLY 49 CO 0.28 0.17 -0.14 0.14 0.00 0.00 0.00 173.10 173.56 2x54 s VAL 50 N 0.69 3.01 -0.17 1.40 1.01 -0.79 -5.03 120.40 120.53 2x54 s VAL 50 Ca 0.03 -0.68 -0.05 0.00 0.00 0.00 0.00 61.98 61.28 2x54 s VAL 50 Cb -0.13 -2.25 -0.03 0.00 0.00 0.00 0.00 36.38 33.96 2x54 s VAL 50 CO 0.02 0.53 -0.01 -0.32 0.00 0.00 0.00 175.10 175.32 2x54 s MET 51 N 0.27 3.74 0.00 2.72 1.75 -1.26 -1.91 119.30 124.60 2x54 s MET 51 Ca -0.10 -0.48 0.00 0.00 -1.25 0.00 0.00 55.69 53.87 2x54 s MET 51 Cb -0.16 -3.02 0.00 0.00 2.84 0.00 0.00 34.83 34.50 2x54 s MET 51 CO 0.05 0.21 0.00 0.41 -0.65 0.00 0.00 175.02 175.05 2x54 n GLY 52 N 3.64 0.86 3.38 2.11 0.00 -1.11 -5.00 105.19 109.08 2x54 n GLY 52 Ca -0.17 -0.01 -0.33 0.00 0.00 0.00 0.00 46.02 45.51 2x54 n GLY 52 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2x54 s THR 53 N 0.18 2.88 -0.34 2.61 -4.23 -1.24 -4.95 115.64 110.54 2x54 s THR 53 Ca 0.00 -0.75 -0.27 0.00 -1.18 0.00 0.00 61.69 59.49 2x54 s THR 53 Cb 0.00 -2.16 0.01 0.00 1.34 0.00 0.00 72.50 71.69 2x54 s THR 53 CO 0.00 0.55 0.99 0.00 -0.54 0.00 0.00 174.62 175.62 2x54 s ARG 54 N -0.05 3.97 -0.55 3.99 1.70 -1.26 -4.34 118.95 122.40 2x54 s ARG 54 Ca -0.04 0.82 -0.17 0.00 -0.47 0.00 0.00 55.73 55.87 2x54 s ARG 54 Cb -0.14 -3.76 0.10 0.00 -0.57 0.00 0.00 34.95 30.58 2x54 s ARG 54 CO 0.04 -0.91 0.59 -1.54 -1.08 0.00 0.00 175.30 172.40 2x54 s SER 55 N 1.76 6.19 -0.36 -2.89 1.04 -0.75 -4.93 113.70 113.75 2x54 s SER 55 Ca 0.41 -1.50 -0.29 0.00 0.48 0.00 0.00 55.95 55.06 2x54 s SER 55 Cb -0.12 -2.25 0.00 0.00 0.10 0.00 0.00 66.02 63.75 2x54 s SER 55 CO 0.17 -0.95 1.39 -0.63 0.98 0.00 0.00 173.24 174.20 2x54 s ILE 56 N 2.17 3.97 -0.17 -1.02 1.09 -1.26 -2.15 121.20 123.82 2x54 s ILE 56 Ca 0.08 1.04 -0.10 0.00 -1.10 0.00 0.00 60.65 60.56 2x54 s ILE 56 Cb -0.26 -4.16 -0.05 0.00 -1.06 0.00 0.00 42.46 36.93 2x54 s ILE 56 CO 0.06 -0.64 0.16 -0.89 -0.10 0.00 0.00 174.94 173.53 2x54 s THR 57 N 5.07 5.41 -0.17 2.92 2.01 0.11 -5.00 115.64 125.98 2x54 s THR 57 Ca 0.60 0.27 -0.08 0.00 0.31 0.00 0.00 61.69 62.79 2x54 s THR 57 Cb -0.15 -3.49 -0.04 0.00 0.01 0.00 0.00 72.50 68.83 2x54 s THR 57 CO 0.29 0.48 0.10 -1.10 -0.69 0.00 0.00 174.62 173.69 2x54 s GLN 58 N 0.03 3.93 0.25 4.92 -1.52 -1.26 -1.76 119.66 124.25 2x54 s GLN 58 Ca 0.11 -0.27 -0.03 0.00 -1.95 0.00 0.00 55.36 53.22 2x54 s GLN 58 Cb -0.12 -3.27 -0.05 0.00 -0.22 0.00 0.00 33.01 29.36 2x54 s GLN 58 CO 0.01 0.38 0.48 -1.25 -0.25 0.00 0.00 175.29 174.66 2x54 s PRO 59 N 0.10 3.59 0.27 2.91 0.04 -1.26 -4.80 135.00 135.85 2x54 s PRO 59 Ca 0.07 -0.13 -0.31 0.00 0.04 0.00 0.00 61.00 60.68 2x54 s PRO 59 Cb -0.12 -2.73 -0.13 0.00 0.04 0.00 0.00 34.50 31.57 2x54 s PRO 59 CO -0.00 0.30 1.46 1.04 0.04 0.00 0.00 177.00 179.84 2x54 n GLN 60 N -0.77 2.27 -3.78 4.56 6.02 -1.26 -4.76 117.38 119.66 2x54 n GLN 60 Ca -0.03 0.81 -0.36 0.00 -0.01 0.00 0.00 57.00 57.41 2x54 n GLN 60 Cb 0.54 -2.50 -0.10 0.00 1.02 0.00 0.00 30.24 29.19 2x54 n GLN 60 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 2x54 s ILE 61 N -0.12 5.01 -0.22 5.09 1.01 -0.97 -4.55 121.20 126.46 2x54 s ILE 61 Ca 0.66 0.05 -0.03 0.00 0.00 0.00 0.00 60.65 61.33 2x54 s ILE 61 Cb -0.59 -3.32 -0.01 0.00 0.01 0.00 0.00 42.46 38.56 2x54 s ILE 61 CO 0.50 0.37 -0.05 -0.70 0.00 0.00 0.00 174.94 175.06 2x54 s GLU 62 N 0.97 3.35 0.04 2.79 2.12 -1.26 -1.03 118.70 125.68 2x54 s GLU 62 Ca 0.06 -0.64 0.03 0.00 0.36 0.00 0.00 54.97 54.78 2x54 s GLU 62 Cb -0.14 -2.97 -0.04 0.00 0.26 0.00 0.00 34.13 31.24 2x54 s GLU 62 CO 0.03 -0.20 0.01 -0.06 -0.54 0.00 0.00 175.26 174.50 2x54 s PHE 63 N 1.46 3.05 -0.85 5.30 0.08 0.53 -1.64 117.98 125.90 2x54 s PHE 63 Ca 0.06 0.04 -0.20 0.00 0.12 0.00 0.00 56.93 56.94 2x54 s PHE 63 Cb -0.14 -1.61 0.11 0.00 -0.57 0.00 0.00 43.02 40.80 2x54 s PHE 63 CO -0.04 0.47 1.10 0.21 -0.10 0.00 0.00 175.22 176.86 2x54 s LYS 64 N -1.92 3.45 -0.23 0.44 2.20 0.14 -0.97 119.74 122.84 2x54 s LYS 64 Ca 0.23 -1.43 -0.29 0.00 -0.36 0.00 0.00 55.97 54.12 2x54 s LYS 64 Cb -0.12 -4.74 0.01 0.00 -1.51 0.00 0.00 37.83 31.47 2x54 s LYS 64 CO 0.14 -1.82 1.09 -1.17 -0.36 0.00 0.00 175.35 173.23 2x54 s LEU 65 N 3.28 4.09 0.02 5.43 2.96 0.19 -1.50 118.68 133.14 2x54 s LEU 65 Ca 0.30 1.39 0.09 0.00 -0.22 0.00 0.00 54.13 55.69 2x54 s LEU 65 Cb -0.08 -3.54 -0.03 0.00 0.50 0.00 0.00 46.19 43.04 2x54 s LEU 65 CO -0.04 -0.72 -0.26 -1.61 -1.32 0.00 0.00 176.35 172.41 2x54 s GLU 66 N 3.32 1.94 -0.03 1.98 8.01 0.47 -0.89 118.70 133.49 2x54 s GLU 66 Ca 0.46 -1.03 0.03 0.00 0.01 0.00 0.00 54.97 54.44 2x54 s GLU 66 Cb -0.16 -2.01 -0.03 0.00 -4.31 0.00 0.00 34.13 27.62 2x54 s GLU 66 CO 0.09 0.53 -0.11 0.95 0.01 0.00 0.00 175.26 176.73 2x54 s THR 67 N -0.72 3.37 -0.44 3.63 -4.23 -0.92 0.21 115.64 116.54 2x54 s THR 67 Ca 0.11 -0.71 0.04 0.00 -1.18 0.00 0.00 61.69 59.95 2x54 s THR 67 Cb -0.10 -2.38 0.44 0.00 1.34 0.00 0.00 72.50 71.79 2x54 s THR 67 CO 0.01 0.52 1.35 0.49 -0.54 0.00 0.00 174.62 176.44 2x54 n PHE 68 N 2.02 3.05 -1.74 3.99 3.72 0.11 -4.11 117.46 124.49 2x54 n PHE 68 Ca -0.17 -2.62 -0.33 0.00 -0.05 0.00 0.00 57.45 54.28 2x54 n PHE 68 Cb 0.52 -0.48 0.05 0.00 -0.94 0.00 0.00 39.48 38.63 2x54 n PHE 68 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 2x54 s GLY 69 N -3.13 2.06 0.14 1.37 0.00 -1.26 -4.96 107.32 101.54 2x54 s GLY 69 Ca 0.52 0.46 0.19 0.00 0.00 0.00 0.00 44.72 45.88 2x54 s GLY 69 CO -0.08 0.80 0.97 0.83 0.00 0.00 0.00 173.10 175.61 2x54 h GLU 70 N -0.07 0.00 -4.64 2.90 5.08 -1.94 -3.46 114.58 112.45 2x54 h GLU 70 Ca -0.46 0.00 -0.25 0.00 -1.00 0.00 0.00 59.36 57.65 2x54 h GLU 70 Cb 1.24 0.00 -0.15 0.00 0.50 0.00 0.00 28.75 30.34 2x54 h GLU 70 CO 0.55 0.20 -0.64 -1.54 -1.00 0.00 0.00 179.01 176.58 2x54 s SER 71 N -5.71 0.70 0.32 1.42 1.04 -1.26 -4.86 113.70 105.36 2x54 s SER 71 Ca -0.01 -1.26 0.00 0.00 0.48 0.00 0.00 55.95 55.16 2x54 s SER 71 Cb 0.09 0.23 0.54 0.00 0.10 0.00 0.00 66.02 66.98 2x54 s SER 71 CO 0.80 -0.70 1.97 -0.07 0.98 0.00 0.00 173.24 176.22 2x54 h LEU 72 N 2.69 0.81 -0.45 2.42 3.38 -1.80 -2.32 115.31 120.04 2x54 h LEU 72 Ca -0.36 -0.04 0.02 0.00 0.09 0.00 0.00 57.88 57.59 2x54 h LEU 72 Cb 1.22 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 41.73 2x54 h LEU 72 CO 0.59 0.61 0.26 -0.08 0.09 0.00 0.00 178.44 179.92 2x54 h GLU 73 N 0.94 0.52 0.77 1.13 4.81 -1.95 -2.40 114.58 118.39 2x54 h GLU 73 Ca 0.25 -0.03 -0.04 0.00 -0.13 0.00 0.00 59.36 59.41 2x54 h GLU 73 Cb -0.05 -0.12 0.01 0.00 0.63 0.00 0.00 28.75 29.22 2x54 h GLU 73 CO -0.05 0.34 -0.37 1.49 -0.73 0.00 0.00 179.01 179.69 2x54 h GLU 74 N 0.53 -1.00 -0.74 1.92 4.81 -1.80 -2.26 114.58 116.04 2x54 h GLU 74 Ca 0.18 0.07 0.17 0.00 -0.13 0.00 0.00 59.36 59.65 2x54 h GLU 74 Cb 0.01 0.23 -0.04 0.00 0.63 0.00 0.00 28.75 29.58 2x54 h GLU 74 CO -0.08 -0.65 0.51 -0.91 -0.73 0.00 0.00 179.01 177.15 2x54 h ASN 75 N -1.13 0.24 -0.04 1.04 2.35 -1.43 -0.36 115.58 116.26 2x54 h ASN 75 Ca -0.11 0.02 -0.17 0.00 -0.55 0.00 0.00 56.30 55.50 2x54 h ASN 75 Cb 0.81 -0.03 0.01 0.00 0.05 0.00 0.00 38.32 39.16 2x54 h ASN 75 CO 0.17 0.12 -0.62 1.88 -1.65 0.00 0.00 177.43 177.33 2x54 h TYR 76 N 0.26 0.70 -0.30 1.19 0.05 -1.39 -2.94 116.97 114.54 2x54 h TYR 76 Ca 0.37 -0.35 -0.03 0.00 0.05 0.00 0.00 58.73 58.76 2x54 h TYR 76 Cb 1.06 -0.09 -0.02 0.00 1.01 0.00 0.00 36.73 38.69 2x54 h TYR 76 CO -0.00 1.16 0.05 0.37 -1.05 0.00 0.00 178.16 178.69 2x54 h GLN 77 N 0.04 0.43 -0.32 4.88 5.75 -0.60 0.54 115.11 125.82 2x54 h GLN 77 Ca -0.07 -0.07 -0.16 0.00 -0.15 0.00 0.00 58.65 58.20 2x54 h GLN 77 Cb 1.31 -0.07 -0.01 0.00 1.07 0.00 0.00 27.48 29.78 2x54 h GLN 77 CO 0.12 0.43 -0.44 -0.07 -2.65 0.00 0.00 178.83 176.22 2x54 h LEU 78 N 0.42 0.90 -0.07 -2.39 3.38 -1.18 -0.70 115.31 115.67 2x54 h LEU 78 Ca 0.10 -0.43 -0.14 0.00 0.09 0.00 0.00 57.88 57.50 2x54 h LEU 78 Cb 0.21 -0.25 0.01 0.00 0.09 0.00 0.00 40.66 40.71 2x54 h LEU 78 CO 0.00 1.20 -0.51 0.24 0.09 0.00 0.00 178.44 179.46 2x54 h MET 79 N 0.67 0.47 -0.02 1.13 2.86 -1.27 -1.03 114.93 117.73 2x54 h MET 79 Ca 0.04 -0.41 -0.05 0.00 -2.06 0.00 0.00 59.70 57.22 2x54 h MET 79 Cb 1.02 0.09 -0.01 0.00 0.06 0.00 0.00 31.60 32.77 2x54 h MET 79 CO 0.10 1.05 -0.21 -0.22 1.06 0.00 0.00 176.91 178.69 2x54 h LYS 80 N 0.03 0.04 0.00 1.72 3.64 -0.93 -2.90 116.57 118.17 2x54 h LYS 80 Ca -0.04 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 2x54 h LYS 80 Cb 1.18 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.99 2x54 h LYS 80 CO 0.10 0.25 -0.27 -0.44 -2.27 0.00 0.00 179.45 176.83 2x54 h ASP 81 N 0.04 0.00 -0.57 4.20 3.32 -1.12 -3.29 116.42 119.00 2x54 h ASP 81 Ca 0.01 0.00 0.12 0.00 0.02 0.00 0.00 57.03 57.17 2x54 h ASP 81 Cb 0.40 0.00 -0.10 0.00 0.22 0.00 0.00 39.33 39.85 2x54 h ASP 81 CO 0.03 0.56 -0.05 0.15 -1.72 0.00 0.00 179.24 178.21 2x54 h PHE 82 N -0.85 -0.13 -0.46 4.55 3.57 -1.29 -0.73 116.94 121.60 2x54 h PHE 82 Ca 0.00 0.05 -0.10 0.00 3.53 0.00 0.00 57.97 61.45 2x54 h PHE 82 Cb 0.27 0.15 -0.01 0.00 2.79 0.00 0.00 35.95 39.14 2x54 h PHE 82 CO -0.12 -0.18 -0.10 0.28 -2.23 0.00 0.00 178.31 175.96 2x54 h VAL 83 N 0.07 1.27 -0.20 1.41 2.07 -1.72 -2.92 116.25 116.23 2x54 h VAL 83 Ca 0.29 -1.21 -0.09 0.00 0.82 0.00 0.00 66.70 66.50 2x54 h VAL 83 Cb 0.46 1.10 -0.01 0.00 -1.52 0.00 0.00 31.29 31.32 2x54 h VAL 83 CO -0.53 0.42 -0.28 0.78 0.02 0.00 0.00 177.57 177.98 2x54 h ASN 84 N 0.73 0.39 -0.80 0.57 2.35 -1.52 -2.34 115.58 114.95 2x54 h ASN 84 Ca 0.12 -0.13 -0.01 0.00 -0.55 0.00 0.00 56.30 55.72 2x54 h ASN 84 Cb 0.64 -0.11 -0.04 0.00 0.05 0.00 0.00 38.32 38.86 2x54 h ASN 84 CO 0.04 0.67 0.45 0.44 -1.65 0.00 0.00 177.43 177.38 2x54 h ASP 85 N 0.34 1.00 0.04 5.81 3.45 -1.03 0.21 116.42 126.24 2x54 h ASP 85 Ca 0.05 -0.08 -0.10 0.00 0.43 0.00 0.00 57.03 57.33 2x54 h ASP 85 Cb 0.67 -0.25 -0.01 0.00 -0.56 0.00 0.00 39.33 39.18 2x54 h ASP 85 CO 0.05 0.80 -0.31 0.40 -1.57 0.00 0.00 179.24 178.61 2x54 h ILE 86 N 1.13 1.28 0.02 0.35 2.04 -1.32 -3.16 117.51 117.84 2x54 h ILE 86 Ca 0.29 -1.35 -0.24 0.00 1.00 0.00 0.00 64.86 64.56 2x54 h ILE 86 Cb 0.01 1.46 0.01 0.00 -0.74 0.00 0.00 36.82 37.57 2x54 h ILE 86 CO -0.05 0.42 -1.01 -0.07 0.00 0.00 0.00 178.15 177.45 2x54 h LEU 87 N 0.35 0.64 -1.19 1.44 3.38 -0.70 -3.33 115.31 115.91 2x54 h LEU 87 Ca 0.05 -0.53 0.09 0.00 0.09 0.00 0.00 57.88 57.57 2x54 h LEU 87 Cb 0.72 -0.20 -0.06 0.00 0.09 0.00 0.00 40.66 41.21 2x54 h LEU 87 CO 0.06 1.33 0.58 0.77 0.09 0.00 0.00 178.44 181.26 2x54 h SER 88 N 0.26 0.83 -2.75 -0.43 4.64 -0.61 -3.41 113.55 112.09 2x54 h SER 88 Ca -0.10 0.02 -0.65 0.00 -0.47 0.00 0.00 61.79 60.58 2x54 h SER 88 Cb 1.65 -0.16 -0.07 0.00 -0.31 0.00 0.00 62.40 63.52 2x54 h SER 88 CO 0.18 0.50 -0.42 -0.54 -0.87 0.00 0.00 176.83 175.69 2x54 s LYS 89 N -5.84 3.58 0.57 4.77 -0.14 -1.24 -5.01 119.74 116.44 2x54 s LYS 89 Ca -0.11 -0.01 0.29 0.00 -1.36 0.00 0.00 55.97 54.77 2x54 s LYS 89 Cb 0.20 -3.21 1.72 0.00 -1.68 0.00 0.00 37.83 34.86 2x54 s LYS 89 CO 0.79 0.74 2.21 1.57 -0.76 0.00 0.00 175.35 179.90 2x54 h LYS 90 N 5.01 0.00 -2.75 1.68 2.10 -1.84 -3.44 116.57 117.34 2x54 h LYS 90 Ca -0.54 0.00 -0.11 0.00 -2.00 0.00 0.00 60.65 58.01 2x54 h LYS 90 Cb 1.22 0.00 -0.21 0.00 -0.90 0.00 0.00 32.23 32.35 2x54 h LYS 90 CO 0.60 0.03 -0.17 -0.59 -2.00 0.00 0.00 179.45 177.32 2x54 s PHE 91 N -4.56 -0.34 -0.04 0.07 -0.12 -1.26 -4.85 117.98 106.88 2x54 s PHE 91 Ca -0.05 0.64 0.07 0.00 -0.05 0.00 0.00 56.93 57.54 2x54 s PHE 91 Cb 0.15 0.17 -0.02 0.00 -0.63 0.00 0.00 43.02 42.70 2x54 s PHE 91 CO 0.56 -0.40 -0.25 0.08 -0.05 0.00 0.00 175.22 175.16 2x54 s VAL 92 N -0.96 2.03 -0.40 -2.49 1.01 0.58 -4.86 120.40 115.30 2x54 s VAL 92 Ca -0.10 -1.08 -0.20 0.00 0.00 0.00 0.00 61.98 60.60 2x54 s VAL 92 Cb -0.04 -1.70 0.01 0.00 0.00 0.00 0.00 36.38 34.66 2x54 s VAL 92 CO 0.05 0.57 0.60 -0.89 0.00 0.00 0.00 175.10 175.43 2x54 s THR 93 N -0.40 4.90 -0.19 3.92 2.01 -0.66 0.35 115.64 125.57 2x54 s THR 93 Ca 0.04 0.23 -0.19 0.00 0.31 0.00 0.00 61.69 62.08 2x54 s THR 93 Cb -0.12 -4.12 -0.03 0.00 0.01 0.00 0.00 72.50 68.24 2x54 s THR 93 CO 0.01 -0.45 0.54 -0.22 -0.69 0.00 0.00 174.62 173.81 2x54 s LEU 94 N 2.66 4.16 -0.26 4.42 2.96 0.05 -0.59 118.68 132.09 2x54 s LEU 94 Ca 0.21 0.72 -0.10 0.00 -0.22 0.00 0.00 54.13 54.75 2x54 s LEU 94 Cb -0.15 -2.75 -0.04 0.00 0.50 0.00 0.00 46.19 43.75 2x54 s LEU 94 CO 0.17 -0.18 0.14 -0.70 -1.32 0.00 0.00 176.35 174.46 2x54 s GLU 95 N 1.58 3.89 -0.21 1.98 2.12 0.08 -0.08 118.70 128.07 2x54 s GLU 95 Ca 0.25 -0.36 -0.16 0.00 0.36 0.00 0.00 54.97 55.07 2x54 s GLU 95 Cb -0.15 -3.52 -0.04 0.00 0.26 0.00 0.00 34.13 30.68 2x54 s GLU 95 CO 0.10 -0.11 0.39 -0.47 -0.54 0.00 0.00 175.26 174.63 2x54 s TYR 96 N 1.50 3.36 -0.02 5.30 5.04 0.11 -2.28 117.35 130.36 2x54 s TYR 96 Ca 0.07 0.59 0.03 0.00 -2.44 0.00 0.00 57.07 55.31 2x54 s TYR 96 Cb -0.15 -2.52 -0.00 0.00 0.35 0.00 0.00 41.96 39.64 2x54 s TYR 96 CO 0.07 -0.02 -0.10 -1.14 -1.34 0.00 0.00 175.55 173.02 2x54 s GLN 97 N 1.36 1.01 0.33 4.97 0.74 -0.17 -1.55 119.66 126.35 2x54 s GLN 97 Ca 0.18 -0.35 -0.02 0.00 0.05 0.00 0.00 55.36 55.22 2x54 s GLN 97 Cb -0.15 -0.94 -0.00 0.00 1.10 0.00 0.00 33.01 33.02 2x54 s GLN 97 CO 0.08 0.15 0.44 0.95 -0.55 0.00 0.00 175.29 176.37 2x54 s THR 98 N 0.07 0.00 0.32 -0.34 -4.23 -0.14 -0.66 115.64 110.66 2x54 s THR 98 Ca -0.01 -1.64 0.03 0.00 -1.18 0.00 0.00 61.69 58.88 2x54 s THR 98 Cb -0.08 -2.60 0.29 0.00 1.34 0.00 0.00 72.50 71.46 2x54 s THR 98 CO 0.00 0.00 1.90 -0.33 -0.54 0.00 0.00 174.62 175.65 2x54 h GLU 99 N 2.14 0.90 0.01 3.99 5.08 -1.86 -3.17 114.58 121.68 2x54 h GLU 99 Ca -0.28 -0.05 -0.33 0.00 -1.00 0.00 0.00 59.36 57.70 2x54 h GLU 99 Cb 1.24 -0.20 -0.05 0.00 0.50 0.00 0.00 28.75 30.23 2x54 h GLU 99 CO 0.39 0.59 -2.00 0.44 -1.00 0.00 0.00 179.01 177.44 2x54 n ILE 100 N -4.52 1.55 -4.12 3.13 -5.35 -1.26 -5.05 119.36 103.75 2x54 n ILE 100 Ca 0.15 -0.79 -0.08 0.00 -0.27 0.00 0.00 62.75 61.75 2x54 n ILE 100 Cb 0.27 -0.96 -0.10 0.00 -1.74 0.00 0.00 39.64 37.11 2x54 n ILE 100 CO 0.00 0.00 0.00 0.72 -1.76 0.00 0.00 176.55 175.51 2x54 s PHE 101 N -2.56 0.69 -0.44 4.28 -0.12 -1.20 -5.09 117.98 113.54 2x54 s PHE 101 Ca -0.10 -1.11 0.08 0.00 -0.05 0.00 0.00 56.93 55.75 2x54 s PHE 101 Cb 0.07 -0.44 0.27 0.00 -0.63 0.00 0.00 43.02 42.29 2x54 s PHE 101 CO 0.81 -0.40 0.61 0.94 -0.05 0.00 0.00 175.22 177.13 2x54 n GLN 102 N 0.02 1.18 -1.97 1.99 7.27 -1.26 -0.96 117.38 123.65 2x54 n GLN 102 Ca -0.11 -3.57 -0.30 0.00 0.07 0.00 0.00 57.00 53.09 2x54 n GLN 102 Cb 0.62 -1.52 0.01 0.00 2.41 0.00 0.00 30.24 31.76 2x54 n GLN 102 CO 0.00 0.00 0.00 0.14 0.07 0.00 0.00 177.06 177.27 2x54 s VAL 103 N -1.76 4.53 0.02 1.69 -7.23 -0.59 -4.71 120.40 112.34 2x54 s VAL 103 Ca 0.37 0.73 0.04 0.00 -1.81 0.00 0.00 61.98 61.30 2x54 s VAL 103 Cb 0.20 -3.80 -0.02 0.00 0.56 0.00 0.00 36.38 33.32 2x54 s VAL 103 CO -0.09 -1.02 -0.11 -0.31 -0.31 0.00 0.00 175.10 173.26 2x54 s TYR 104 N -3.15 0.96 -0.07 2.82 2.02 -0.71 0.09 117.35 119.31 2x54 s TYR 104 Ca 0.55 -0.28 0.01 0.00 -0.37 0.00 0.00 57.07 56.97 2x54 s TYR 104 Cb -0.11 -0.59 0.02 0.00 -0.40 0.00 0.00 41.96 40.88 2x54 s TYR 104 CO 0.52 -0.00 -0.06 0.00 -1.57 0.00 0.00 175.55 174.44 2x54 s ALA 105 N -0.62 0.94 -0.38 3.71 0.00 0.88 -1.15 121.76 125.15 2x54 s ALA 105 Ca 0.01 -0.25 -0.29 0.00 0.00 0.00 0.00 51.96 51.43 2x54 s ALA 105 Cb -0.06 -0.61 0.02 0.00 0.00 0.00 0.00 23.12 22.47 2x54 s ALA 105 CO 0.00 -0.15 1.10 -0.51 0.00 0.00 0.00 175.76 176.20 2x54 s ASP 106 N 1.22 6.82 0.18 0.00 1.01 -0.85 -0.77 116.67 124.28 2x54 s ASP 106 Ca -0.06 0.84 0.06 0.00 0.71 0.00 0.00 52.55 54.11 2x54 s ASP 106 Cb -0.14 -2.54 -0.04 0.00 1.01 0.00 0.00 42.92 41.21 2x54 s ASP 106 CO -0.02 -1.01 0.07 -0.76 0.21 0.00 0.00 175.17 173.66 2x54 s LEU 107 N 3.93 3.56 -0.02 1.23 1.43 0.16 -1.15 118.68 127.81 2x54 s LEU 107 Ca 0.46 -0.28 0.04 0.00 -1.03 0.00 0.00 54.13 53.32 2x54 s LEU 107 Cb -0.10 -2.18 -0.01 0.00 0.03 0.00 0.00 46.19 43.93 2x54 s LEU 107 CO 0.21 0.07 -0.14 0.00 0.23 0.00 0.00 176.35 176.72 2x54 s ALA 108 N -1.79 1.22 -0.18 4.21 0.00 -0.68 -0.31 121.76 124.22 2x54 s ALA 108 Ca 0.29 -0.59 -0.29 0.00 0.00 0.00 0.00 51.96 51.38 2x54 s ALA 108 Cb -0.09 -0.36 -0.04 0.00 0.00 0.00 0.00 23.12 22.63 2x54 s ALA 108 CO 0.21 0.26 1.84 -1.17 0.00 0.00 0.00 175.76 176.90 2x54 s LEU 109 N -0.16 3.85 -0.22 0.00 1.98 -1.26 -0.10 118.68 122.78 2x54 s LEU 109 Ca 0.02 1.84 -0.17 0.00 -2.89 0.00 0.00 54.13 52.93 2x54 s LEU 109 Cb -0.07 -3.53 -0.18 0.00 0.66 0.00 0.00 46.19 43.07 2x54 s LEU 109 CO 0.00 -1.43 0.08 0.00 -1.89 0.00 0.00 176.35 173.12 2x54 n ALA 110 N 9.23 0.92 -3.63 5.97 0.00 -0.40 -4.83 120.51 127.76 2x54 n ALA 110 Ca 0.22 -0.67 -0.11 0.00 0.00 0.00 0.00 53.44 52.89 2x54 n ALA 110 Cb 0.45 -0.40 -0.07 0.00 0.00 0.00 0.00 19.45 19.42 2x54 n ALA 110 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2x54 s ASP 111 N -7.01 -0.84 -0.01 0.00 2.15 -0.70 -4.98 116.67 105.27 2x54 s ASP 111 Ca -0.31 1.48 0.03 0.00 0.43 0.00 0.00 52.55 54.19 2x54 s ASP 111 Cb 0.08 1.43 -0.01 0.00 -0.30 0.00 0.00 42.92 44.12 2x54 s ASP 111 CO 0.59 -0.24 -0.11 0.54 -0.17 0.00 0.00 175.17 175.78 2x54 s VAL 112 N 0.99 0.88 -0.00 1.11 0.11 -1.26 0.81 120.40 123.03 2x54 s VAL 112 Ca -0.05 -0.47 0.04 0.00 -2.93 0.00 0.00 61.98 58.57 2x54 s VAL 112 Cb -0.05 -0.74 -0.03 0.00 -1.53 0.00 0.00 36.38 34.03 2x54 s VAL 112 CO -0.09 0.25 -0.12 0.42 -3.33 0.00 0.00 175.10 172.23 2x54 s THR 113 N -0.24 3.26 -0.10 5.04 -4.23 -1.12 -5.04 115.64 113.21 2x54 s THR 113 Ca 0.04 -0.86 -0.02 0.00 -1.18 0.00 0.00 61.69 59.67 2x54 s THR 113 Cb -0.05 -2.37 0.04 0.00 1.34 0.00 0.00 72.50 71.46 2x54 s THR 113 CO -0.00 0.44 0.01 -0.75 -0.54 0.00 0.00 174.62 173.78 2x54 s LYS 114 N -1.22 0.58 0.25 3.99 2.20 -1.26 -4.65 119.74 119.62 2x54 s LYS 114 Ca 0.15 -0.01 0.05 0.00 -0.36 0.00 0.00 55.97 55.80 2x54 s LYS 114 Cb -0.11 -1.25 -0.05 0.00 -1.51 0.00 0.00 37.83 34.91 2x54 s LYS 114 CO 0.05 -0.39 -0.05 0.95 -0.36 0.00 0.00 175.35 175.55 2x54 s THR 115 N 1.96 1.41 -0.31 3.43 -4.23 -1.26 -5.07 115.64 111.56 2x54 s THR 115 Ca 0.04 -2.10 0.11 0.00 -1.18 0.00 0.00 61.69 58.56 2x54 s THR 115 Cb -0.13 -2.34 0.75 0.00 1.34 0.00 0.00 72.50 72.12 2x54 s THR 115 CO -0.06 -0.36 1.72 -0.62 -0.54 0.00 0.00 174.62 174.76 2x54 n GLU 116 N -0.48 4.21 -3.01 3.99 1.02 -1.26 -4.78 120.64 120.32 2x54 n GLU 116 Ca -0.06 -2.96 -0.44 0.00 -0.02 0.00 0.00 57.16 53.68 2x54 n GLU 116 Cb 0.63 -2.21 -0.01 0.00 -0.02 0.00 0.00 31.44 29.83 2x54 n GLU 116 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 2x54 s GLY 117 N -0.82 2.33 0.16 0.62 0.00 -1.26 -5.02 107.32 103.33 2x54 s GLY 117 Ca 0.52 -3.17 0.03 0.00 0.00 0.00 0.00 44.72 42.09 2x54 s GLY 117 CO 0.14 1.89 0.30 -0.19 0.00 0.00 0.00 173.10 175.25 2x54 s TYR 118 N 1.61 3.48 0.00 1.90 4.12 -1.26 -4.72 117.35 122.48 2x54 s TYR 118 Ca 0.35 0.12 0.00 0.00 0.02 0.00 0.00 57.07 57.56 2x54 s TYR 118 Cb -0.05 -1.67 0.00 0.00 -1.52 0.00 0.00 41.96 38.72 2x54 s TYR 118 CO -0.05 0.49 0.00 0.41 0.02 0.00 0.00 175.55 176.42 2x54 n GLY 119 N -0.67 0.66 3.62 0.71 0.00 -1.21 -4.90 105.19 103.40 2x54 n GLY 119 Ca -0.07 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.60 2x54 n GLY 119 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2x54 s LYS 120 N 1.57 3.53 -1.62 1.61 1.02 -1.26 -4.40 119.74 120.19 2x54 s LYS 120 Ca 0.00 -0.41 -0.02 0.00 0.02 0.00 0.00 55.97 55.56 2x54 s LYS 120 Cb 0.00 -2.98 0.00 0.00 -0.52 0.00 0.00 37.83 34.33 2x54 s LYS 120 CO 0.00 0.43 0.29 0.09 -0.92 0.00 0.00 175.35 175.24 2x54 n ASN 121 N 3.00 -5.89 -2.46 2.83 3.02 -1.26 -3.05 115.26 111.44 2x54 n ASN 121 Ca -0.18 -0.15 -0.15 0.00 -0.03 0.00 0.00 54.58 54.08 2x54 n ASN 121 Cb 0.53 -4.81 0.05 0.00 -0.61 0.00 0.00 39.78 34.94 2x54 n ASN 121 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2x54 n GLY 122 N -1.26 0.00 3.76 7.41 0.00 -1.26 -2.48 105.19 111.37 2x54 n GLY 122 Ca -0.18 -0.09 -0.39 0.00 0.00 0.00 0.00 46.02 45.36 2x54 n GLY 122 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2x54 s THR 123 N -3.20 2.48 -0.09 2.61 -1.32 -1.17 -4.75 115.64 110.19 2x54 s THR 123 Ca 0.33 0.39 0.00 0.00 -1.21 0.00 0.00 61.69 61.19 2x54 s THR 123 Cb -0.14 -3.21 -0.03 0.00 -1.51 0.00 0.00 72.50 67.61 2x54 s THR 123 CO 0.46 0.02 -0.08 -0.36 -2.21 0.00 0.00 174.62 172.45 2x54 s PHE 124 N -1.33 2.91 -0.31 9.09 0.08 -1.26 -3.35 117.98 123.81 2x54 s PHE 124 Ca 0.64 -0.18 -0.02 0.00 0.12 0.00 0.00 56.93 57.48 2x54 s PHE 124 Cb -0.37 -1.78 0.11 0.00 -0.57 0.00 0.00 43.02 40.41 2x54 s PHE 124 CO 0.46 0.14 0.14 0.45 -0.10 0.00 0.00 175.22 176.32 2x54 s SER 125 N -0.35 3.53 0.18 1.36 0.15 -1.26 -2.17 113.70 115.14 2x54 s SER 125 Ca 0.05 -1.58 0.03 0.00 0.70 0.00 0.00 55.95 55.15 2x54 s SER 125 Cb -0.12 -0.49 -0.05 0.00 -1.71 0.00 0.00 66.02 63.65 2x54 s SER 125 CO 0.02 -0.40 -0.03 -1.61 1.20 0.00 0.00 173.24 172.42 2x54 s GLU 126 N 1.75 1.15 -0.20 5.44 0.41 -0.07 -4.96 118.70 122.21 2x54 s GLU 126 Ca 0.11 -1.55 -0.07 0.00 -0.41 0.00 0.00 54.97 53.06 2x54 s GLU 126 Cb -0.18 -0.45 -0.04 0.00 -1.78 0.00 0.00 34.13 31.69 2x54 s GLU 126 CO -0.26 -0.07 0.05 0.15 -0.49 0.00 0.00 175.26 174.64 2x54 s LYS 127 N -3.86 3.83 -0.19 1.61 1.02 -1.26 0.52 119.74 121.41 2x54 s LYS 127 Ca 0.23 -0.41 -0.01 0.00 0.02 0.00 0.00 55.97 55.79 2x54 s LYS 127 Cb 0.05 -3.20 -0.00 0.00 -0.52 0.00 0.00 37.83 34.16 2x54 s LYS 127 CO 0.04 0.12 -0.11 -1.50 -0.92 0.00 0.00 175.35 172.98 2x54 s ILE 128 N 0.76 2.86 -0.08 2.17 2.07 -0.15 -2.81 121.20 126.03 2x54 s ILE 128 Ca 0.03 -0.68 0.00 0.00 -1.41 0.00 0.00 60.65 58.59 2x54 s ILE 128 Cb -0.14 -2.25 -0.03 0.00 0.13 0.00 0.00 42.46 40.17 2x54 s ILE 128 CO 0.02 0.48 -0.07 -0.89 -1.91 0.00 0.00 174.94 172.58 2x54 s THR 129 N 1.16 3.69 0.06 4.00 2.01 0.24 -0.34 115.64 126.46 2x54 s THR 129 Ca 0.01 -0.47 0.08 0.00 0.31 0.00 0.00 61.69 61.62 2x54 s THR 129 Cb -0.14 -2.52 -0.03 0.00 0.01 0.00 0.00 72.50 69.81 2x54 s THR 129 CO -0.04 0.58 -0.21 -0.36 -0.69 0.00 0.00 174.62 173.90 2x54 s PHE 130 N -0.57 1.82 -0.04 4.92 0.40 -0.20 -1.28 117.98 123.03 2x54 s PHE 130 Ca 0.09 -0.39 -0.13 0.00 -0.60 0.00 0.00 56.93 55.90 2x54 s PHE 130 Cb -0.12 -1.06 -0.05 0.00 0.51 0.00 0.00 43.02 42.30 2x54 s PHE 130 CO 0.02 0.13 0.35 -0.51 0.70 0.00 0.00 175.22 175.90 2x54 s ASP 131 N -1.40 6.69 -0.14 1.36 1.01 0.86 -2.28 116.67 122.77 2x54 s ASP 131 Ca 0.07 0.82 -0.25 0.00 0.71 0.00 0.00 52.55 53.91 2x54 s ASP 131 Cb -0.09 -2.21 -0.02 0.00 1.01 0.00 0.00 42.92 41.61 2x54 s ASP 131 CO 0.03 0.31 0.81 -0.63 0.21 0.00 0.00 175.17 175.90 2x54 s ILE 132 N -0.89 4.92 -0.08 0.77 -1.09 -1.26 -1.69 121.20 121.88 2x54 s ILE 132 Ca 0.21 1.61 -0.06 0.00 -2.23 0.00 0.00 60.65 60.18 2x54 s ILE 132 Cb -0.15 -4.12 -0.02 0.00 -1.58 0.00 0.00 42.46 36.58 2x54 s ILE 132 CO 0.11 0.08 -0.11 -0.38 -1.23 0.00 0.00 174.94 173.40 2x54 n ILE 133 N 4.51 0.79 -3.73 2.92 5.41 -0.30 -4.95 119.36 124.01 2x54 n ILE 133 Ca 0.03 0.34 -0.23 0.00 1.00 0.00 0.00 62.75 63.89 2x54 n ILE 133 Cb 0.49 -1.99 -0.18 0.00 -0.71 0.00 0.00 39.64 37.26 2x54 n ILE 133 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 176.55 175.66 2x54 s THR 134 N -1.74 0.24 -0.18 1.39 2.01 -1.21 -5.01 115.64 111.14 2x54 s THR 134 Ca -0.09 0.10 -0.15 0.00 0.31 0.00 0.00 61.69 61.86 2x54 s THR 134 Cb 0.01 -0.50 -0.04 0.00 0.01 0.00 0.00 72.50 71.99 2x54 s THR 134 CO 0.14 0.15 0.37 -0.75 -0.69 0.00 0.00 174.62 173.84 2x54 s LYS 135 N 2.02 4.21 -0.04 4.92 2.20 -1.26 -2.00 119.74 129.80 2x54 s LYS 135 Ca 0.04 0.19 -0.03 0.00 -0.36 0.00 0.00 55.97 55.81 2x54 s LYS 135 Cb -0.13 -3.50 0.01 0.00 -1.51 0.00 0.00 37.83 32.71 2x54 s LYS 135 CO -0.05 0.06 0.06 0.91 -0.36 0.00 0.00 175.35 175.97 2x54 n TRP 136 N 4.13 -3.35 -3.90 4.03 5.03 -1.11 -4.49 117.44 117.78 2x54 n TRP 136 Ca -0.09 1.98 -0.11 0.00 3.03 0.00 0.00 57.50 62.31 2x54 n TRP 136 Cb 0.51 -3.03 -0.11 0.00 -1.03 0.00 0.00 31.31 27.65 2x54 n TRP 136 CO 0.00 0.00 0.00 1.52 -0.03 0.00 0.00 177.69 179.18 2x54 s TYR 137 N -0.44 0.10 -0.34 -5.99 -0.85 -0.30 -0.22 117.35 109.31 2x54 s TYR 137 Ca -0.07 -0.22 -0.15 0.00 -0.52 0.00 0.00 57.07 56.11 2x54 s TYR 137 Cb 0.00 -0.09 -0.01 0.00 0.38 0.00 0.00 41.96 42.25 2x54 s TYR 137 CO 0.19 -0.23 0.34 0.95 -1.52 0.00 0.00 175.55 175.28 2x54 s THR 138 N -1.27 5.19 -0.47 -3.49 -4.23 0.72 -1.73 115.64 110.36 2x54 s THR 138 Ca -0.14 0.02 -0.20 0.00 -1.18 0.00 0.00 61.69 60.19 2x54 s THR 138 Cb -0.08 -3.80 0.04 0.00 1.34 0.00 0.00 72.50 70.00 2x54 s THR 138 CO 0.01 -0.07 0.62 -0.47 -0.54 0.00 0.00 174.62 174.17 2x54 s TYR 139 N 1.97 3.06 0.03 3.99 5.04 -1.26 -2.43 117.35 127.75 2x54 s TYR 139 Ca 0.11 -0.29 -0.00 0.00 -2.44 0.00 0.00 57.07 54.44 2x54 s TYR 139 Cb -0.17 -3.40 -0.03 0.00 0.35 0.00 0.00 41.96 38.72 2x54 s TYR 139 CO 0.11 -0.94 -0.03 -2.00 -1.34 0.00 0.00 175.55 171.35 2x54 s GLU 140 N 2.71 0.45 0.21 4.97 2.12 -0.56 -5.01 118.70 123.58 2x54 s GLU 140 Ca 0.18 -0.86 -0.30 0.00 0.36 0.00 0.00 54.97 54.36 2x54 s GLU 140 Cb -0.16 0.11 -0.09 0.00 0.26 0.00 0.00 34.13 34.25 2x54 s GLU 140 CO 0.15 -0.06 1.23 1.21 -0.54 0.00 0.00 175.26 177.25 2x54 s ASN 141 N -2.04 7.03 -0.20 -1.70 3.84 -1.26 -0.22 114.94 120.39 2x54 s ASN 141 Ca -0.07 2.32 -0.02 0.00 0.21 0.00 0.00 52.86 55.30 2x54 s ASN 141 Cb -0.03 -2.61 -0.01 0.00 -0.55 0.00 0.00 41.25 38.05 2x54 s ASN 141 CO -0.04 -0.41 -0.08 -0.22 -2.79 0.00 0.00 177.10 173.56 2x54 s LEU 142 N -0.43 2.75 0.07 3.21 1.98 0.61 -4.82 118.68 122.05 2x54 s LEU 142 Ca 0.53 -0.41 0.05 0.00 -2.89 0.00 0.00 54.13 51.40 2x54 s LEU 142 Cb -0.34 -1.68 -0.03 0.00 0.66 0.00 0.00 46.19 44.80 2x54 s LEU 142 CO 0.39 0.02 -0.13 -0.89 -1.89 0.00 0.00 176.35 173.85 2x54 s THR 143 N 1.22 1.02 0.80 3.68 2.01 -1.26 -3.60 115.64 119.50 2x54 s THR 143 Ca 0.02 -1.35 -0.11 0.00 0.31 0.00 0.00 61.69 60.57 2x54 s THR 143 Cb -0.14 -1.07 0.07 0.00 0.01 0.00 0.00 72.50 71.36 2x54 s THR 143 CO -0.03 -0.31 1.10 0.72 -0.69 0.00 0.00 174.62 175.40 2x54 s PHE 144 N -1.52 2.48 -0.06 4.92 -0.71 -1.26 -4.64 117.98 117.19 2x54 s PHE 144 Ca -0.01 1.54 0.03 0.00 -1.04 0.00 0.00 56.93 57.44 2x54 s PHE 144 Cb -0.09 -3.08 -0.03 0.00 -1.21 0.00 0.00 43.02 38.62 2x54 s PHE 144 CO 0.02 -1.94 -0.12 -0.51 -1.34 0.00 0.00 175.22 171.33 2x54 s ASP 145 N -3.34 4.23 0.05 1.98 1.01 0.11 -4.97 116.67 115.74 2x54 s ASP 145 Ca 0.62 -0.14 0.01 0.00 0.71 0.00 0.00 52.55 53.75 2x54 s ASP 145 Cb -0.18 -0.95 -0.04 0.00 1.01 0.00 0.00 42.92 42.76 2x54 s ASP 145 CO 0.56 0.35 0.14 -0.75 0.21 0.00 0.00 175.17 175.68 2x54 s LYS 146 N -0.76 3.18 -0.17 8.23 2.47 -1.26 -2.19 119.74 129.23 2x54 s LYS 146 Ca 0.12 -0.52 -0.04 0.00 -1.56 0.00 0.00 55.97 53.97 2x54 s LYS 146 Cb -0.11 -2.90 -0.02 0.00 -1.46 0.00 0.00 37.83 33.34 2x54 s LYS 146 CO 0.01 0.61 -0.04 0.42 0.16 0.00 0.00 175.35 176.50 2x54 s ILE 147 N -1.39 3.70 -0.00 5.43 -1.09 -1.25 -5.03 121.20 121.56 2x54 s ILE 147 Ca 0.30 -0.41 0.03 0.00 -2.23 0.00 0.00 60.65 58.34 2x54 s ILE 147 Cb -0.12 -2.63 -0.03 0.00 -1.58 0.00 0.00 42.46 38.09 2x54 s ILE 147 CO 0.22 0.47 -0.08 -1.10 -1.23 0.00 0.00 174.94 173.22 2x54 s GLN 148 N 0.71 2.54 0.23 2.79 -0.21 -1.26 -4.57 119.66 119.89 2x54 s GLN 148 Ca -0.02 -0.72 -0.30 0.00 0.02 0.00 0.00 55.36 54.34 2x54 s GLN 148 Cb -0.15 -2.49 -0.10 0.00 1.00 0.00 0.00 33.01 31.28 2x54 s GLN 148 CO 0.02 0.61 1.40 -0.80 -2.12 0.00 0.00 175.29 174.40 2x54 s ASN 149 N -1.32 6.73 0.54 5.90 0.01 -1.26 -5.02 114.94 120.52 2x54 s ASN 149 Ca 0.16 2.58 -0.19 0.00 -0.71 0.00 0.00 52.86 54.70 2x54 s ASN 149 Cb -0.11 -2.62 -0.06 0.00 0.41 0.00 0.00 41.25 38.87 2x54 s ASN 149 CO 0.06 -0.65 1.09 -0.83 -1.51 0.00 0.00 177.10 175.26 2x54 s GLY 150 N 0.39 2.47 0.51 0.66 0.00 -0.76 -4.98 107.32 105.61 2x54 s GLY 150 Ca 0.59 0.66 -0.21 0.00 0.00 0.00 0.00 44.72 45.76 2x54 s GLY 150 CO 0.41 1.00 1.16 0.54 0.00 0.00 0.00 173.10 176.21 2x54 s LYS 151 N -3.46 3.48 -0.16 2.90 1.02 -1.26 -4.46 119.74 117.80 2x54 s LYS 151 Ca 0.69 1.71 -0.22 0.00 0.02 0.00 0.00 55.97 58.17 2x54 s LYS 151 Cb -0.20 -2.17 -0.03 0.00 -0.52 0.00 0.00 37.83 34.92 2x54 s LYS 151 CO 0.27 -0.77 0.69 0.08 -0.92 0.00 0.00 175.35 174.71 2x54 s VAL 152 N -1.65 5.00 -0.04 3.17 1.01 -1.26 -4.87 120.40 121.75 2x54 s VAL 152 Ca 0.69 1.35 0.05 0.00 0.00 0.00 0.00 61.98 64.07 2x54 s VAL 152 Cb -0.27 -4.01 -0.00 0.00 0.00 0.00 0.00 36.38 32.10 2x54 s VAL 152 CO 0.31 0.13 -0.18 -0.63 0.00 0.00 0.00 175.10 174.74 2x54 s ILE 153 N 1.64 1.47 0.00 2.22 1.01 -1.26 -5.03 121.20 121.25 2x54 s ILE 153 Ca 0.33 -0.74 -0.30 0.00 0.00 0.00 0.00 60.65 59.94 2x54 s ILE 153 Cb -0.16 -1.26 -0.06 0.00 0.01 0.00 0.00 42.46 40.99 2x54 s ILE 153 CO 0.13 0.42 1.53 0.00 0.00 0.00 0.00 174.94 177.02 2x54 s ALA 154 N -0.02 3.63 0.00 9.38 0.00 -1.26 -1.26 121.76 132.22 2x54 s ALA 154 Ca -0.03 0.98 0.00 0.00 0.00 0.00 0.00 51.96 52.91 2x54 s ALA 154 Cb -0.11 -3.66 0.00 0.00 0.00 0.00 0.00 23.12 19.35 2x54 s ALA 154 CO 0.02 -1.09 0.00 0.41 0.00 0.00 0.00 175.76 175.10 2x54 n GLY 155 N 3.86 2.87 0.12 0.00 0.00 -1.26 -4.80 105.19 105.98 2x54 n GLY 155 Ca 0.15 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.96 2x54 n GLY 155 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 2x54 h MET 156 N 0.29 0.15 -6.89 1.61 2.07 -1.70 -3.43 114.93 107.03 2x54 h MET 156 Ca 0.00 -0.25 -0.49 0.00 -2.07 0.00 0.00 59.70 56.88 2x54 h MET 156 Cb 0.00 0.09 0.02 0.00 -1.87 0.00 0.00 31.60 29.85 2x54 h MET 156 CO 0.00 1.12 0.11 -1.12 1.07 0.00 0.00 176.91 178.09 2x54 s SER 157 N -6.94 6.37 -0.76 1.22 0.01 -0.39 -0.64 113.70 112.56 2x54 s SER 157 Ca -0.24 1.01 -0.25 0.00 1.31 0.00 0.00 55.95 57.78 2x54 s SER 157 Cb 0.05 -2.28 0.05 0.00 0.21 0.00 0.00 66.02 64.05 2x54 s SER 157 CO 0.70 -0.50 1.22 -0.75 0.41 0.00 0.00 173.24 174.32 2x54 s LYS 158 N -4.35 3.24 0.01 12.44 2.20 -1.23 -4.75 119.74 127.30 2x54 s LYS 158 Ca 0.49 -0.54 -0.11 0.00 -0.36 0.00 0.00 55.97 55.45 2x54 s LYS 158 Cb -0.10 -4.36 0.01 0.00 -1.51 0.00 0.00 37.83 31.87 2x54 s LYS 158 CO 0.39 -2.07 0.24 0.96 -0.36 0.00 0.00 175.35 174.51 2x54 s ILE 159 N 5.16 0.08 -0.84 5.43 -4.36 -1.26 -4.90 121.20 120.52 2x54 s ILE 159 Ca 0.33 -0.68 -0.11 0.00 -0.26 0.00 0.00 60.65 59.94 2x54 s ILE 159 Cb -0.09 -0.71 0.22 0.00 1.25 0.00 0.00 42.46 43.13 2x54 s ILE 159 CO 0.10 -0.37 0.76 -0.31 0.24 0.00 0.00 174.94 175.36 2x54 s TYR 160 N -1.88 3.78 0.13 1.37 2.02 -1.26 -4.11 117.35 117.39 2x54 s TYR 160 Ca -0.10 -2.28 0.01 0.00 -0.37 0.00 0.00 57.07 54.32 2x54 s TYR 160 Cb -0.04 -3.68 0.01 0.00 -0.40 0.00 0.00 41.96 37.85 2x54 s TYR 160 CO 0.00 -0.94 0.05 0.41 -1.57 0.00 0.00 175.55 173.50 2x54 n GLY 161 N 3.61 3.51 7.00 0.71 0.00 -1.24 -4.45 105.19 114.33 2x54 n GLY 161 Ca 0.15 -2.22 0.00 0.00 0.00 0.00 0.00 46.02 43.94 2x54 n GLY 161 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2x54 n GLY 162 N 3.49 2.68 3.73 -0.02 0.00 -1.26 -2.20 105.19 111.62 2x54 n GLY 162 Ca -0.03 -0.28 -0.42 0.00 0.00 0.00 0.00 46.02 45.30 2x54 n GLY 162 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2x54 s THR 163 N 0.00 2.81 0.41 2.61 -4.23 -1.26 -4.75 115.64 111.23 2x54 s THR 163 Ca 0.00 0.61 -0.26 0.00 -1.18 0.00 0.00 61.69 60.86 2x54 s THR 163 Cb 0.00 -3.39 -0.09 0.00 1.34 0.00 0.00 72.50 70.36 2x54 s THR 163 CO 0.00 0.07 1.37 0.00 -0.54 0.00 0.00 174.62 175.52 2x54 s ALA 164 N 0.66 3.30 -0.84 3.99 0.00 -1.26 -1.83 121.76 125.78 2x54 s ALA 164 Ca 0.64 1.35 -0.03 0.00 0.00 0.00 0.00 51.96 53.93 2x54 s ALA 164 Cb -0.41 -3.54 0.20 0.00 0.00 0.00 0.00 23.12 19.37 2x54 s ALA 164 CO 0.36 -0.97 2.32 -0.35 0.00 0.00 0.00 175.76 177.12 2x54 n PRO 165 N 0.08 3.49 0.00 0.00 -0.04 -1.26 -5.05 135.00 132.23 2x54 n PRO 165 Ca 0.04 -3.31 0.00 0.00 -0.04 0.00 0.00 63.50 60.19 2x54 n PRO 165 Cb 0.42 -2.34 0.00 0.00 -0.04 0.00 0.00 33.50 31.55 2x54 n PRO 165 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2x54 n GLY 166 N 0.50 -1.70 3.52 0.55 0.00 -0.76 -4.94 105.19 102.35 2x54 n GLY 166 Ca 0.53 -1.49 -0.09 0.00 0.00 0.00 0.00 46.02 44.96 2x54 n GLY 166 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2x54 s ASN 167 N -2.93 -0.76 -0.09 1.61 2.20 -0.93 -4.77 114.94 109.26 2x54 s ASN 167 Ca 0.00 1.29 0.01 0.00 -0.94 0.00 0.00 52.86 53.22 2x54 s ASN 167 Cb 0.00 1.20 0.02 0.00 -2.00 0.00 0.00 41.25 40.47 2x54 s ASN 167 CO 0.00 -0.22 -0.10 -0.72 -2.94 0.00 0.00 177.10 173.12 2x54 s TYR 168 N 1.26 1.50 -0.14 1.54 -0.85 -1.26 -3.71 117.35 115.70 2x54 s TYR 168 Ca -0.07 -0.67 -0.07 0.00 -0.52 0.00 0.00 57.07 55.73 2x54 s TYR 168 Cb -0.06 -1.17 -0.04 0.00 0.38 0.00 0.00 41.96 41.07 2x54 s TYR 168 CO -0.13 -0.41 0.12 0.15 -1.52 0.00 0.00 175.55 173.76 2x54 s LYS 169 N 1.22 3.59 -0.47 -3.49 1.02 -1.26 -5.07 119.74 115.29 2x54 s LYS 169 Ca -0.04 -0.18 -0.26 0.00 0.02 0.00 0.00 55.97 55.51 2x54 s LYS 169 Cb -0.14 -3.21 0.03 0.00 -0.52 0.00 0.00 37.83 33.99 2x54 s LYS 169 CO -0.03 0.65 0.98 0.71 -0.92 0.00 0.00 175.35 176.74 2x54 s TYR 170 N -0.65 2.89 0.53 3.18 2.02 -1.26 -4.39 117.35 119.66 2x54 s TYR 170 Ca 0.13 0.45 0.05 0.00 -0.37 0.00 0.00 57.07 57.34 2x54 s TYR 170 Cb -0.12 -4.10 0.03 0.00 -0.40 0.00 0.00 41.96 37.37 2x54 s TYR 170 CO 0.02 -1.16 0.36 0.42 -1.57 0.00 0.00 175.55 173.62 2x54 s ILE 171 N 3.96 1.69 -0.49 2.71 1.01 -1.26 -4.95 121.20 123.87 2x54 s ILE 171 Ca 0.40 -1.54 -0.11 0.00 0.00 0.00 0.00 60.65 59.40 2x54 s ILE 171 Cb -0.09 -2.22 0.12 0.00 0.01 0.00 0.00 42.46 40.28 2x54 s ILE 171 CO 0.28 0.00 0.39 -0.75 0.00 0.00 0.00 174.94 174.85 2x54 s LYS 172 N -4.22 2.65 0.00 2.79 2.47 -1.26 -3.94 119.74 118.22 2x54 s LYS 172 Ca 0.33 -1.72 0.00 0.00 -1.56 0.00 0.00 55.97 53.01 2x54 s LYS 172 Cb -0.02 -4.03 0.00 0.00 -1.46 0.00 0.00 37.83 32.32 2x54 s LYS 172 CO 0.20 -1.22 0.00 0.41 0.16 0.00 0.00 175.35 174.90 2x54 n GLY 173 N 5.02 2.99 0.12 5.54 0.00 -1.26 -4.76 105.19 112.84 2x54 n GLY 173 Ca -0.10 -0.81 -0.19 0.00 0.00 0.00 0.00 46.02 44.92 2x54 n GLY 173 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2x54 h THR 174 N 0.00 1.18 0.00 2.61 1.35 -1.98 -3.48 112.91 112.59 2x54 h THR 174 Ca 0.00 -2.76 0.00 0.00 -0.55 0.00 0.00 66.41 63.10 2x54 h THR 174 Cb 0.00 2.84 0.00 0.00 -1.73 0.00 0.00 68.15 69.26 2x54 h THR 174 CO 0.00 0.84 0.00 -0.24 -0.25 0.00 0.00 175.52 175.87 2x54 n SER 175 N -3.54 0.00 -3.96 5.36 2.88 -1.25 -4.53 113.62 108.58 2x54 n SER 175 Ca -0.17 0.00 -0.26 0.00 -1.33 0.00 0.00 58.87 57.10 2x54 n SER 175 Cb 1.06 0.00 -0.17 0.00 -0.75 0.00 0.00 64.21 64.35 2x54 n SER 175 CO 0.00 0.00 0.00 -0.72 -1.23 0.00 0.00 175.04 173.09 2x54 s TYR 176 N 0.00 1.55 -0.12 0.66 -0.85 -1.26 -4.32 117.35 113.01 2x54 s TYR 176 Ca 0.00 -0.73 0.03 0.00 -0.52 0.00 0.00 57.07 55.85 2x54 s TYR 176 Cb 0.00 -1.22 0.01 0.00 0.38 0.00 0.00 41.96 41.12 2x54 s TYR 176 CO 0.00 -0.46 -0.22 0.95 -1.52 0.00 0.00 175.55 174.31 2x54 s THR 177 N 1.36 1.98 0.25 -3.49 -4.23 0.19 -4.90 115.64 106.79 2x54 s THR 177 Ca -0.01 -0.94 -0.31 0.00 -1.18 0.00 0.00 61.69 59.24 2x54 s THR 177 Cb -0.14 -1.74 -0.12 0.00 1.34 0.00 0.00 72.50 71.84 2x54 s THR 177 CO -0.05 0.54 1.62 -1.22 -0.54 0.00 0.00 174.62 174.97 2x54 n TYR 178 N 3.92 2.70 0.09 3.99 4.01 -1.26 -3.48 117.16 127.14 2x54 n TYR 178 Ca -0.20 0.19 -0.13 0.00 -0.16 0.00 0.00 57.90 57.61 2x54 n TYR 178 Cb 0.52 -2.61 -0.08 0.00 -0.31 0.00 0.00 39.34 36.87 2x54 n TYR 178 CO 0.00 0.00 0.00 0.10 -0.46 0.00 0.00 176.86 176.50 2x54 h TYR 179 N 5.55 -0.15 -0.03 -0.72 -0.00 -1.89 -3.48 116.97 116.25 2x54 h TYR 179 Ca -0.45 -0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.27 2x54 h TYR 179 Cb 1.22 0.05 0.00 0.00 0.00 0.00 0.00 36.73 38.00 2x54 h TYR 179 CO 0.60 -0.04 0.00 0.41 -0.00 0.00 0.00 178.16 179.14 2x54 n GLY 180 N -0.99 1.52 3.20 0.10 0.00 -1.26 -1.83 105.19 105.93 2x54 n GLY 180 Ca -0.08 -0.34 -0.25 0.00 0.00 0.00 0.00 46.02 45.35 2x54 n GLY 180 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2x54 s GLU 181 N 1.89 1.42 -0.04 1.61 2.02 -1.26 -5.02 118.70 119.32 2x54 s GLU 181 Ca 0.00 -0.77 -0.30 0.00 0.02 0.00 0.00 54.97 53.93 2x54 s GLU 181 Cb 0.00 -1.43 -0.07 0.00 0.10 0.00 0.00 34.13 32.73 2x54 s GLU 181 CO 0.00 0.38 1.88 -1.54 0.02 0.00 0.00 175.26 176.00 2x54 s SER 182 N -0.75 6.39 -1.00 -0.19 1.04 -1.26 -2.42 113.70 115.51 2x54 s SER 182 Ca 0.07 2.38 -0.04 0.00 0.48 0.00 0.00 55.95 58.84 2x54 s SER 182 Cb -0.08 -2.53 -0.05 0.00 0.10 0.00 0.00 66.02 63.47 2x54 s SER 182 CO 0.00 -1.14 0.86 -0.67 0.98 0.00 0.00 173.24 173.28 2x54 n ASP 183 N 7.97 -5.09 0.07 7.02 2.03 -1.26 -4.90 116.55 122.39 2x54 n ASP 183 Ca 0.20 -0.63 0.09 0.00 0.52 0.00 0.00 54.79 54.97 2x54 n ASP 183 Cb 0.42 -4.80 0.39 0.00 -0.72 0.00 0.00 41.12 36.41 2x54 n ASP 183 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2x54 n ILE 184 N -3.30 1.04 0.19 5.18 3.06 -1.01 -2.93 119.36 121.59 2x54 n ILE 184 Ca -0.12 0.32 0.07 0.00 -2.50 0.00 0.00 62.75 60.52 2x54 n ILE 184 Cb 0.62 -1.20 0.34 0.00 0.54 0.00 0.00 39.64 39.94 2x54 n ILE 184 CO 0.00 0.00 0.00 -0.67 -2.50 0.00 0.00 176.55 173.38 2x54 n ASP 185 N -1.90 0.31 0.09 9.51 -0.08 -1.26 -1.82 116.55 121.40 2x54 n ASP 185 Ca 0.02 0.62 -0.07 0.00 -1.51 0.00 0.00 54.79 53.86 2x54 n ASP 185 Cb 0.16 -0.67 0.02 0.00 2.34 0.00 0.00 41.12 42.97 2x54 n ASP 185 CO 0.00 0.00 0.00 0.08 0.12 0.00 0.00 177.20 177.40 2x54 h ARG 186 N 0.00 0.13 -6.19 -0.67 0.11 -1.92 -3.45 114.38 102.40 2x54 h ARG 186 Ca 0.00 -0.13 -0.56 0.00 0.10 0.00 0.00 59.98 59.38 2x54 h ARG 186 Cb 0.09 0.04 -0.04 0.00 1.11 0.00 0.00 29.97 31.17 2x54 h ARG 186 CO 0.00 0.88 0.81 -0.51 0.10 0.00 0.00 179.97 181.24 2x54 s LEU 187 N -7.40 4.20 -0.10 0.08 2.01 -0.76 -5.02 118.68 111.70 2x54 s LEU 187 Ca -0.02 1.66 -0.04 0.00 0.01 0.00 0.00 54.13 55.73 2x54 s LEU 187 Cb 0.11 -3.54 0.05 0.00 0.01 0.00 0.00 46.19 42.81 2x54 s LEU 187 CO 0.81 -0.67 0.21 -0.94 1.01 0.00 0.00 176.35 176.77 2x54 s SER 188 N 1.64 0.20 -0.17 2.29 1.04 -1.26 -3.92 113.70 113.51 2x54 s SER 188 Ca 0.53 0.45 -0.02 0.00 0.48 0.00 0.00 55.95 57.38 2x54 s SER 188 Cb -0.21 0.41 -0.01 0.00 0.10 0.00 0.00 66.02 66.31 2x54 s SER 188 CO 0.15 -0.20 -0.08 -0.60 0.98 0.00 0.00 173.24 173.49 2x54 s ARG 189 N 1.84 3.42 -0.71 4.02 3.52 -0.93 -4.94 118.95 125.17 2x54 s ARG 189 Ca -0.03 -0.64 -0.17 0.00 -0.13 0.00 0.00 55.73 54.76 2x54 s ARG 189 Cb -0.11 -2.83 0.14 0.00 -1.56 0.00 0.00 34.95 30.59 2x54 s ARG 189 CO -0.07 0.04 0.77 -1.58 -0.81 0.00 0.00 175.30 173.65 2x54 s TRP 190 N 0.83 3.26 0.05 5.12 0.52 -1.26 0.08 118.94 127.55 2x54 s TRP 190 Ca -0.03 -1.36 -0.27 0.00 0.02 0.00 0.00 56.10 54.46 2x54 s TRP 190 Cb -0.15 -3.98 -0.05 0.00 -1.15 0.00 0.00 33.47 28.14 2x54 s TRP 190 CO 0.01 -1.21 0.86 0.34 0.02 0.00 0.00 176.95 176.97 2x54 s ASP 191 N 3.23 7.31 -0.31 2.95 -1.08 -1.26 -1.92 116.67 125.59 2x54 s ASP 191 Ca 0.16 1.57 -0.01 0.00 -0.52 0.00 0.00 52.55 53.75 2x54 s ASP 191 Cb -0.18 -2.52 0.06 0.00 -1.46 0.00 0.00 42.92 38.82 2x54 s ASP 191 CO -0.01 -0.07 0.01 -0.63 0.52 0.00 0.00 175.17 174.99 2x54 s ILE 192 N 0.20 2.89 -0.18 4.11 1.01 -0.81 -4.99 121.20 123.43 2x54 s ILE 192 Ca 0.43 -1.51 0.14 0.00 0.00 0.00 0.00 60.65 59.72 2x54 s ILE 192 Cb -0.21 -2.72 -0.24 0.00 0.01 0.00 0.00 42.46 39.31 2x54 s ILE 192 CO 0.26 -0.17 0.13 0.29 0.00 0.00 0.00 174.94 175.45 2x54 n LYS 193 N 4.58 0.68 -4.29 2.79 5.02 -1.26 -2.21 118.16 123.47 2x54 n LYS 193 Ca -0.12 0.06 -0.20 0.00 -2.02 0.00 0.00 58.31 56.04 2x54 n LYS 193 Cb 0.43 -1.57 -0.11 0.00 -0.02 0.00 0.00 35.03 33.76 2x54 n LYS 193 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 2x54 s GLU 194 N -2.51 1.17 -0.03 1.97 0.41 -1.26 -4.86 118.70 113.58 2x54 s GLU 194 Ca -0.13 -1.35 -0.30 0.00 -0.41 0.00 0.00 54.97 52.79 2x54 s GLU 194 Cb 0.07 -1.12 -0.07 0.00 -1.78 0.00 0.00 34.13 31.22 2x54 s GLU 194 CO 0.80 0.22 1.88 -2.00 -0.49 0.00 0.00 175.26 175.67 2x54 s GLU 195 N -2.82 4.02 -0.16 1.61 2.12 -1.26 -4.73 118.70 117.48 2x54 s GLU 195 Ca 0.13 2.36 -0.10 0.00 0.36 0.00 0.00 54.97 57.73 2x54 s GLU 195 Cb -0.05 -4.13 -0.05 0.00 0.26 0.00 0.00 34.13 30.17 2x54 s GLU 195 CO 0.05 -1.07 0.17 0.96 -0.54 0.00 0.00 175.26 174.83 2x54 s ILE 196 N 4.81 5.40 -0.07 -3.70 -5.25 -0.78 -4.70 121.20 116.92 2x54 s ILE 196 Ca 0.84 0.29 -0.06 0.00 -0.99 0.00 0.00 60.65 60.73 2x54 s ILE 196 Cb -0.38 -3.49 -0.28 0.00 2.95 0.00 0.00 42.46 41.26 2x54 s ILE 196 CO 0.37 0.49 0.57 2.19 -1.79 0.00 0.00 174.94 176.76 2x54 h PHE 197 N 6.12 0.53 -3.43 1.37 -5.15 -1.86 -1.83 116.94 112.68 2x54 h PHE 197 Ca -0.45 -0.39 -0.07 0.00 -0.20 0.00 0.00 57.97 56.86 2x54 h PHE 197 Cb 1.18 -0.02 -0.15 0.00 0.22 0.00 0.00 35.95 37.18 2x54 h PHE 197 CO 0.64 1.63 -0.19 0.45 -2.00 0.00 0.00 178.31 178.84 2x54 s SER 198 N -7.05 -0.13 0.25 -0.68 0.15 -1.02 -4.54 113.70 100.67 2x54 s SER 198 Ca -0.17 -0.33 -0.15 0.00 0.70 0.00 0.00 55.95 56.00 2x54 s SER 198 Cb 0.06 0.41 0.00 0.00 -1.71 0.00 0.00 66.02 64.78 2x54 s SER 198 CO 0.82 -0.74 0.53 0.72 1.20 0.00 0.00 173.24 175.77 2x54 s PHE 199 N -3.36 0.18 -0.17 3.44 -0.71 -1.26 -1.50 117.98 114.60 2x54 s PHE 199 Ca 0.01 -0.57 -0.05 0.00 -1.04 0.00 0.00 56.93 55.28 2x54 s PHE 199 Cb 0.02 0.32 0.06 0.00 -1.21 0.00 0.00 43.02 42.21 2x54 s PHE 199 CO -0.09 -1.03 0.08 1.41 -1.34 0.00 0.00 175.22 174.26 2x54 s MET 200 N -3.98 0.11 0.08 1.99 1.75 -0.70 -0.46 119.30 118.10 2x54 s MET 200 Ca 0.18 -0.10 0.10 0.00 -1.25 0.00 0.00 55.69 54.62 2x54 s MET 200 Cb -0.02 -1.81 -0.03 0.00 2.84 0.00 0.00 34.83 35.81 2x54 s MET 200 CO 0.07 -0.66 -0.26 0.20 -0.65 0.00 0.00 175.02 173.73 2x54 s GLY 201 N 2.12 1.44 -0.27 2.11 0.00 0.60 -1.61 107.32 111.71 2x54 s GLY 201 Ca 0.02 -1.33 -0.01 0.00 0.00 0.00 0.00 44.72 43.40 2x54 s GLY 201 CO -0.09 -1.27 -0.05 -0.42 0.00 0.00 0.00 173.10 171.27 2x54 s ILE 202 N -0.94 2.77 -0.13 0.90 1.01 0.44 -0.76 121.20 124.48 2x54 s ILE 202 Ca 0.12 -1.26 -0.02 0.00 0.00 0.00 0.00 60.65 59.49 2x54 s ILE 202 Cb -0.10 -2.51 -0.02 0.00 0.01 0.00 0.00 42.46 39.84 2x54 s ILE 202 CO 0.04 0.06 -0.07 -0.76 0.00 0.00 0.00 174.94 174.20 2x54 s LEU 203 N 1.26 3.08 -0.41 2.97 1.43 0.57 -1.03 118.68 126.56 2x54 s LEU 203 Ca -0.03 -0.16 -0.10 0.00 -1.03 0.00 0.00 54.13 52.80 2x54 s LEU 203 Cb -0.18 -1.72 0.06 0.00 0.03 0.00 0.00 46.19 44.39 2x54 s LEU 203 CO -0.04 0.21 0.25 -0.31 0.23 0.00 0.00 176.35 176.69 2x54 s TYR 204 N 0.12 3.30 0.51 0.29 2.02 -0.36 0.12 117.35 123.34 2x54 s TYR 204 Ca -0.03 -1.34 -0.20 0.00 -0.37 0.00 0.00 57.07 55.14 2x54 s TYR 204 Cb -0.14 -2.81 -0.07 0.00 -0.40 0.00 0.00 41.96 38.54 2x54 s TYR 204 CO 0.03 -0.79 1.08 -2.14 -1.57 0.00 0.00 175.55 172.16 2x54 s PRO 205 N 1.47 3.62 -0.20 -1.71 0.02 -1.26 -0.78 135.00 136.16 2x54 s PRO 205 Ca 0.03 1.48 -0.16 0.00 0.02 0.00 0.00 61.00 62.36 2x54 s PRO 205 Cb -0.22 -2.07 -0.09 0.00 0.02 0.00 0.00 34.50 32.14 2x54 s PRO 205 CO 0.04 -0.60 -0.22 1.63 -0.33 0.00 0.00 177.00 177.51 2x54 n LYS 206 N -1.09 0.53 -4.98 5.54 5.02 -0.91 -4.62 118.16 117.65 2x54 n LYS 206 Ca 0.10 0.36 -0.32 0.00 -2.02 0.00 0.00 58.31 56.43 2x54 n LYS 206 Cb 0.52 -1.56 -0.15 0.00 -0.02 0.00 0.00 35.03 33.82 2x54 n LYS 206 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2x54 s LEU 207 N -7.86 2.47 0.42 -0.35 1.43 -1.26 -5.02 118.68 108.50 2x54 s LEU 207 Ca -0.29 -0.39 -0.22 0.00 -1.03 0.00 0.00 54.13 52.20 2x54 s LEU 207 Cb 0.07 -1.51 -0.10 0.00 0.03 0.00 0.00 46.19 44.68 2x54 s LEU 207 CO 0.43 0.21 1.00 -2.16 0.23 0.00 0.00 176.35 176.06 2x54 s PRO 208 N 0.05 4.16 0.00 1.29 0.04 -1.26 -3.78 135.00 135.50 2x54 s PRO 208 Ca -0.07 1.32 0.00 0.00 0.04 0.00 0.00 61.00 62.29 2x54 s PRO 208 Cb -0.15 -2.35 0.00 0.00 0.04 0.00 0.00 34.50 32.04 2x54 s PRO 208 CO 0.05 -0.12 0.00 1.63 0.04 0.00 0.00 177.00 178.60 2x54 n LYS 209 N -0.38 -0.31 -4.73 4.56 5.02 -0.92 -4.99 118.16 116.40 2x54 n LYS 209 Ca 0.06 0.08 -0.33 0.00 -2.02 0.00 0.00 58.31 56.10 2x54 n LYS 209 Cb 0.52 -3.29 -0.14 0.00 -0.02 0.00 0.00 35.03 32.09 2x54 n LYS 209 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 2x54 s THR 210 N -2.07 3.18 -0.11 -0.18 2.01 -1.25 -4.89 115.64 112.33 2x54 s THR 210 Ca 0.00 -0.62 -0.37 0.00 0.31 0.00 0.00 61.69 61.01 2x54 s THR 210 Cb 0.00 -2.34 -0.14 0.00 0.01 0.00 0.00 72.50 70.03 2x54 s THR 210 CO 0.00 0.52 1.72 -0.81 -0.69 0.00 0.00 174.62 175.36 2x54 n PRO 211 N 3.44 1.61 -5.21 4.92 -0.04 -1.26 -4.64 135.00 133.82 2x54 n PRO 211 Ca -0.18 0.59 -0.32 0.00 -0.04 0.00 0.00 63.50 63.55 2x54 n PRO 211 Cb 0.53 -2.33 -0.16 0.00 -0.04 0.00 0.00 33.50 31.49 2x54 n PRO 211 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2x54 s ALA 212 N 3.01 2.23 0.00 0.55 0.00 0.56 -4.42 121.76 123.68 2x54 s ALA 212 Ca 0.92 -1.04 0.00 0.00 0.00 0.00 0.00 51.96 51.84 2x54 s ALA 212 Cb -0.88 -0.72 0.00 0.00 0.00 0.00 0.00 23.12 21.52 2x54 s ALA 212 CO 0.55 0.42 0.00 0.41 0.00 0.00 0.00 175.76 177.15 2x54 n GLY 213 N 2.90 -0.00 3.27 0.00 0.00 -0.62 -0.97 105.19 109.77 2x54 n GLY 213 Ca -0.17 -1.29 -0.29 0.00 0.00 0.00 0.00 46.02 44.27 2x54 n GLY 213 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2x54 s VAL 214 N -3.28 1.85 0.11 1.61 -7.23 -0.63 -0.11 120.40 112.72 2x54 s VAL 214 Ca 0.00 -1.08 0.09 0.00 -1.81 0.00 0.00 61.98 59.18 2x54 s VAL 214 Cb 0.00 -1.55 -0.04 0.00 0.56 0.00 0.00 36.38 35.35 2x54 s VAL 214 CO 0.00 0.45 -0.17 0.00 -0.31 0.00 0.00 175.10 175.06 2x54 s ARG 215 N -0.74 1.81 -0.10 4.82 1.70 -0.81 0.05 118.95 125.69 2x54 s ARG 215 Ca 0.09 -1.16 0.02 0.00 -0.47 0.00 0.00 55.73 54.20 2x54 s ARG 215 Cb -0.09 -2.13 -0.02 0.00 -0.57 0.00 0.00 34.95 32.15 2x54 s ARG 215 CO -0.00 0.48 -0.15 -0.06 -1.08 0.00 0.00 175.30 174.49 2x54 s PHE 216 N -1.15 2.73 0.07 5.89 0.08 0.60 -1.68 117.98 124.53 2x54 s PHE 216 Ca 0.18 -0.59 0.08 0.00 0.12 0.00 0.00 56.93 56.72 2x54 s PHE 216 Cb -0.11 -1.77 -0.03 0.00 -0.57 0.00 0.00 43.02 40.54 2x54 s PHE 216 CO 0.10 -0.15 -0.18 -0.51 -0.10 0.00 0.00 175.22 174.38 2x54 s LEU 217 N 0.08 2.64 0.00 -0.37 1.43 0.14 -2.35 118.68 120.25 2x54 s LEU 217 Ca -0.07 -0.47 -0.05 0.00 -1.03 0.00 0.00 54.13 52.51 2x54 s LEU 217 Cb -0.15 -1.53 0.09 0.00 0.03 0.00 0.00 46.19 44.64 2x54 s LEU 217 CO 0.05 0.23 0.59 -0.90 0.23 0.00 0.00 176.35 176.54 2x54 n ASP 218 N 1.29 0.28 0.32 2.29 3.85 -0.68 -1.30 116.55 122.60 2x54 n ASP 218 Ca -0.16 -1.35 0.20 0.00 -0.71 0.00 0.00 54.79 52.77 2x54 n ASP 218 Cb 0.52 -0.43 1.06 0.00 -1.35 0.00 0.00 41.12 40.92 2x54 n ASP 218 CO 0.00 0.00 0.00 -2.24 -1.01 0.00 0.00 177.20 173.95 2x54 h ASP 219 N -0.64 0.00 -0.40 -1.12 -0.00 -1.90 -2.62 116.42 109.74 2x54 h ASP 219 Ca -0.19 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 56.84 2x54 h ASP 219 Cb 0.58 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 39.91 2x54 h ASP 219 CO 0.16 0.01 0.00 2.30 -0.00 0.00 0.00 179.24 181.71 2x54 n ILE 220 N -3.23 0.58 -1.93 4.15 -5.35 -1.26 -4.98 119.36 107.35 2x54 n ILE 220 Ca -0.02 -0.79 -0.01 0.00 -0.27 0.00 0.00 62.75 61.66 2x54 n ILE 220 Cb 0.13 0.89 -0.00 0.00 -1.74 0.00 0.00 39.64 38.92 2x54 n ILE 220 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2x54 n GLY 221 N 1.35 0.35 3.61 3.28 0.00 -0.99 -5.07 105.19 107.73 2x54 n GLY 221 Ca 0.18 -0.87 -0.34 0.00 0.00 0.00 0.00 46.02 44.99 2x54 n GLY 221 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2x54 s ASN 222 N -2.97 5.08 0.05 1.61 0.01 -1.26 -4.89 114.94 112.57 2x54 s ASN 222 Ca 0.00 0.04 -0.30 0.00 -0.71 0.00 0.00 52.86 51.89 2x54 s ASN 222 Cb 0.00 -1.58 -0.04 0.00 0.41 0.00 0.00 41.25 40.04 2x54 s ASN 222 CO 0.00 0.29 0.97 -0.70 -1.51 0.00 0.00 177.10 176.15 2x54 s GLU 223 N -0.38 4.62 -0.05 -0.60 2.12 -1.26 -1.68 118.70 121.47 2x54 s GLU 223 Ca 0.07 1.43 0.02 0.00 0.36 0.00 0.00 54.97 56.85 2x54 s GLU 223 Cb -0.12 -3.42 -0.04 0.00 0.26 0.00 0.00 34.13 30.80 2x54 s GLU 223 CO 0.02 0.07 -0.03 2.48 -0.54 0.00 0.00 175.26 177.26 2x54 n TYR 224 N 3.40 0.00 -3.96 5.30 0.18 -0.99 -5.00 117.16 116.09 2x54 n TYR 224 Ca 0.04 0.00 -0.09 0.00 1.88 0.00 0.00 57.90 59.73 2x54 n TYR 224 Cb 0.50 -0.21 -0.10 0.00 -0.38 0.00 0.00 39.34 39.14 2x54 n TYR 224 CO 0.00 0.00 0.00 -0.08 -2.08 0.00 0.00 176.86 174.70 2x54 s THR 225 N -2.11 0.12 -0.18 -3.48 -1.32 -1.25 -4.23 115.64 103.20 2x54 s THR 225 Ca -0.06 -0.98 -0.14 0.00 -1.21 0.00 0.00 61.69 59.31 2x54 s THR 225 Cb 0.02 -0.51 0.05 0.00 -1.51 0.00 0.00 72.50 70.55 2x54 s THR 225 CO 0.14 -0.54 0.45 0.00 -2.21 0.00 0.00 174.62 172.47 2x54 s ALA 226 N -1.85 -1.13 -0.80 11.08 0.00 -0.35 -0.29 121.76 128.42 2x54 s ALA 226 Ca -0.12 1.42 -0.07 0.00 0.00 0.00 0.00 51.96 53.20 2x54 s ALA 226 Cb -0.06 -0.84 0.20 0.00 0.00 0.00 0.00 23.12 22.42 2x54 s ALA 226 CO -0.02 -0.24 0.68 0.42 0.00 0.00 0.00 175.76 176.61 2x54 s ILE 227 N 0.71 4.67 -0.07 0.00 -1.09 0.11 -2.50 121.20 123.03 2x54 s ILE 227 Ca -0.04 -3.07 0.05 0.00 -2.23 0.00 0.00 60.65 55.37 2x54 s ILE 227 Cb -0.05 -3.92 -0.01 0.00 -1.58 0.00 0.00 42.46 36.90 2x54 s ILE 227 CO -0.05 -1.00 -0.23 0.54 -1.23 0.00 0.00 174.94 172.97 2x54 s VAL 228 N -0.41 1.90 -0.07 2.92 0.11 -1.26 -1.61 120.40 121.98 2x54 s VAL 228 Ca 0.21 -0.96 0.03 0.00 -2.93 0.00 0.00 61.98 58.33 2x54 s VAL 228 Cb -0.13 -1.62 0.01 0.00 -1.53 0.00 0.00 36.38 33.10 2x54 s VAL 228 CO -0.07 0.53 -0.16 -0.36 -3.33 0.00 0.00 175.10 171.71 2x54 s PHE 229 N 0.04 1.75 -0.72 1.54 0.08 -0.14 -0.82 117.98 119.70 2x54 s PHE 229 Ca -0.08 -0.62 -0.10 0.00 0.12 0.00 0.00 56.93 56.25 2x54 s PHE 229 Cb -0.15 -1.22 0.19 0.00 -0.57 0.00 0.00 43.02 41.28 2x54 s PHE 229 CO 0.05 -0.27 0.62 -1.59 -0.10 0.00 0.00 175.22 173.93 2x54 s LYS 230 N 0.41 3.15 0.74 0.44 -2.85 -1.20 -0.32 119.74 120.10 2x54 s LYS 230 Ca -0.12 -2.41 -0.08 0.00 -1.00 0.00 0.00 55.97 52.35 2x54 s LYS 230 Cb -0.15 -4.15 0.07 0.00 -2.06 0.00 0.00 37.83 31.53 2x54 s LYS 230 CO 0.04 -1.25 1.06 0.95 0.10 0.00 0.00 175.35 176.26 2x54 s THR 231 N 0.22 2.19 -0.15 3.79 -4.23 -1.26 -4.94 115.64 111.25 2x54 s THR 231 Ca 0.16 -0.19 -0.03 0.00 -1.18 0.00 0.00 61.69 60.45 2x54 s THR 231 Cb -0.15 -3.00 -0.24 0.00 1.34 0.00 0.00 72.50 70.45 2x54 s THR 231 CO -0.06 0.00 0.23 -0.62 -0.54 0.00 0.00 174.62 173.63 2x54 n GLU 232 N -3.04 0.73 -4.46 3.99 4.71 -1.26 -2.16 120.64 119.14 2x54 n GLU 232 Ca 0.08 0.23 -0.23 0.00 -0.01 0.00 0.00 57.16 57.23 2x54 n GLU 232 Cb 0.61 -1.67 -0.10 0.00 -1.01 0.00 0.00 31.44 29.27 2x54 n GLU 232 CO 0.00 0.00 0.00 -0.65 0.09 0.00 0.00 177.13 176.57 2x54 s GLN 233 N -2.55 1.65 -0.21 3.49 1.11 -1.26 -4.30 119.66 117.59 2x54 s GLN 233 Ca -0.24 -1.77 -0.29 0.00 0.01 0.00 0.00 55.36 53.07 2x54 s GLN 233 Cb 0.07 -1.65 -0.03 0.00 -1.01 0.00 0.00 33.01 30.40 2x54 s GLN 233 CO 0.73 0.27 1.65 0.08 0.01 0.00 0.00 175.29 178.03 2x54 s VAL 234 N -2.61 3.65 0.38 1.09 1.01 -1.26 -4.78 120.40 117.87 2x54 s VAL 234 Ca 0.29 0.73 -0.24 0.00 0.00 0.00 0.00 61.98 62.77 2x54 s VAL 234 Cb -0.03 -3.65 -0.10 0.00 0.00 0.00 0.00 36.38 32.60 2x54 s VAL 234 CO 0.14 -0.27 0.97 -1.10 0.00 0.00 0.00 175.10 174.84 2x54 s GLN 235 N 4.71 4.36 0.12 2.72 -1.52 -1.26 -4.95 119.66 123.83 2x54 s GLN 235 Ca 0.73 1.28 -0.17 0.00 -1.95 0.00 0.00 55.36 55.25 2x54 s GLN 235 Cb -0.26 -2.51 -0.03 0.00 -0.22 0.00 0.00 33.01 29.99 2x54 s GLN 235 CO 0.30 0.08 1.64 -0.44 -0.25 0.00 0.00 175.29 176.62 2x54 h ASP 236 N 2.55 0.50 -5.00 5.90 5.19 -0.66 -3.37 116.42 121.53 2x54 h ASP 236 Ca -0.48 -0.19 -0.07 0.00 -0.62 0.00 0.00 57.03 55.66 2x54 h ASP 236 Cb 1.19 -0.13 -0.19 0.00 0.18 0.00 0.00 39.33 40.39 2x54 h ASP 236 CO 0.63 0.56 0.05 -0.72 -3.12 0.00 0.00 179.24 176.64 2x54 s TYR 237 N -5.44 -0.50 -0.27 4.55 1.13 -1.03 -4.42 117.35 111.36 2x54 s TYR 237 Ca -0.13 0.79 -0.05 0.00 -1.41 0.00 0.00 57.07 56.27 2x54 s TYR 237 Cb 0.09 0.33 0.01 0.00 -1.10 0.00 0.00 41.96 41.29 2x54 s TYR 237 CO 0.75 -0.57 0.02 0.42 -2.51 0.00 0.00 175.55 173.65 2x54 s ILE 238 N -1.50 3.52 -0.50 -3.49 1.01 0.31 -0.44 121.20 120.11 2x54 s ILE 238 Ca -0.10 -0.77 -0.18 0.00 0.00 0.00 0.00 60.65 59.59 2x54 s ILE 238 Cb -0.01 -2.78 0.06 0.00 0.01 0.00 0.00 42.46 39.74 2x54 s ILE 238 CO 0.06 0.17 0.57 -0.22 0.00 0.00 0.00 174.94 175.52 2x54 s LEU 239 N 1.44 5.09 -0.14 2.97 0.20 0.40 -0.31 118.68 128.32 2x54 s LEU 239 Ca 0.02 -0.98 -0.00 0.00 0.69 0.00 0.00 54.13 53.86 2x54 s LEU 239 Cb -0.17 -2.39 -0.01 0.00 -0.43 0.00 0.00 46.19 43.19 2x54 s LEU 239 CO -0.01 -0.83 -0.14 0.27 -0.29 0.00 0.00 176.35 175.36 2x54 s ILE 240 N 2.41 2.92 -0.10 6.68 -4.36 0.06 -1.72 121.20 127.08 2x54 s ILE 240 Ca 0.13 -0.70 0.02 0.00 -0.26 0.00 0.00 60.65 59.84 2x54 s ILE 240 Cb -0.20 -2.23 0.01 0.00 1.25 0.00 0.00 42.46 41.29 2x54 s ILE 240 CO 0.11 0.52 -0.17 0.21 0.24 0.00 0.00 174.94 175.85 2x54 s ASN 241 N 0.56 2.49 0.00 4.36 3.84 0.30 -0.29 114.94 126.21 2x54 s ASN 241 Ca -0.08 -0.44 0.27 0.00 0.21 0.00 0.00 52.86 52.81 2x54 s ASN 241 Cb -0.16 -1.13 0.90 0.00 -0.55 0.00 0.00 41.25 40.32 2x54 s ASN 241 CO 0.03 0.05 1.66 0.35 -2.79 0.00 0.00 177.10 176.40 2x54 n THR 242 N 4.01 0.00 -1.68 -5.21 -2.24 0.40 -2.57 114.28 106.98 2x54 n THR 242 Ca -0.20 -0.12 -0.45 0.00 -2.27 0.00 0.00 64.05 61.01 2x54 n THR 242 Cb 0.52 0.28 -0.04 0.00 -2.10 0.00 0.00 70.33 68.99 2x54 n THR 242 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 2x54 n ASP 243 N -0.65 3.39 -0.24 3.42 2.03 -1.26 -4.76 116.55 118.48 2x54 n ASP 243 Ca 0.13 1.05 -0.06 0.00 0.52 0.00 0.00 54.79 56.43 2x54 n ASP 243 Cb 0.33 -1.45 0.04 0.00 -0.72 0.00 0.00 41.12 39.32 2x54 n ASP 243 CO 0.00 0.00 0.00 -0.37 -1.92 0.00 0.00 177.20 174.91 2x54 h VAL 244 N 4.08 1.21 -0.53 5.18 -1.51 -1.96 -1.55 116.25 121.18 2x54 h VAL 244 Ca -0.45 -0.52 -0.07 0.00 -1.23 0.00 0.00 66.70 64.43 2x54 h VAL 244 Cb 1.25 0.35 -0.02 0.00 -2.13 0.00 0.00 31.29 30.74 2x54 h VAL 244 CO 0.91 0.23 0.04 0.78 -1.23 0.00 0.00 177.57 178.30 2x54 h ASN 245 N 0.90 0.87 -2.12 4.19 2.35 -2.01 -3.34 115.58 116.43 2x54 h ASN 245 Ca 0.23 -0.28 -0.54 0.00 -0.55 0.00 0.00 56.30 55.15 2x54 h ASN 245 Cb 0.04 -0.23 -0.41 0.00 0.05 0.00 0.00 38.32 37.77 2x54 h ASN 245 CO -0.04 0.94 -0.93 -0.90 -1.65 0.00 0.00 177.43 174.86 2x54 n ASP 246 N -4.34 2.29 -4.68 5.81 5.75 -1.22 -5.09 116.55 115.08 2x54 n ASP 246 Ca 0.02 -3.24 -0.42 0.00 -0.01 0.00 0.00 54.79 51.14 2x54 n ASP 246 Cb 0.29 -0.61 -0.03 0.00 -1.03 0.00 0.00 41.12 39.74 2x54 n ASP 246 CO 0.00 0.00 0.00 -0.70 -0.11 0.00 0.00 177.20 176.39 2x54 s GLU 247 N -2.58 4.15 -0.10 0.11 2.12 -0.58 -4.66 118.70 117.16 2x54 s GLU 247 Ca 0.42 2.54 0.01 0.00 0.36 0.00 0.00 54.97 58.30 2x54 s GLU 247 Cb 0.27 -3.76 0.02 0.00 0.26 0.00 0.00 34.13 30.92 2x54 s GLU 247 CO -0.09 -0.86 -0.12 0.99 -0.54 0.00 0.00 175.26 174.64 2x54 s THR 248 N 3.24 1.25 -0.07 -1.70 2.01 -1.06 -4.99 115.64 114.31 2x54 s THR 248 Ca 0.81 -0.49 -0.01 0.00 0.31 0.00 0.00 61.69 62.32 2x54 s THR 248 Cb -0.43 -1.18 0.03 0.00 0.01 0.00 0.00 72.50 70.92 2x54 s THR 248 CO 0.37 0.39 -0.02 -0.31 -0.69 0.00 0.00 174.62 174.36 2x54 s TYR 249 N 1.13 0.86 -0.14 4.92 2.02 -1.26 0.11 117.35 124.99 2x54 s TYR 249 Ca -0.05 -0.29 -0.27 0.00 -0.37 0.00 0.00 57.07 56.09 2x54 s TYR 249 Cb -0.14 -0.86 0.07 0.00 -0.40 0.00 0.00 41.96 40.62 2x54 s TYR 249 CO -0.02 -0.34 0.66 1.14 -1.57 0.00 0.00 175.55 175.42 2x54 s GLN 250 N 1.70 0.92 -0.24 -0.62 -2.07 -0.70 -3.51 119.66 115.14 2x54 s GLN 250 Ca 0.02 0.54 -0.09 0.00 -1.82 0.00 0.00 55.36 54.01 2x54 s GLN 250 Cb -0.13 0.44 -0.04 0.00 -1.09 0.00 0.00 33.01 32.19 2x54 s GLN 250 CO -0.05 -0.22 0.12 0.20 -1.32 0.00 0.00 175.29 174.02 2x54 s GLY 251 N -0.50 1.88 -0.17 2.60 0.00 0.90 -0.46 107.32 111.57 2x54 s GLY 251 Ca -0.06 -0.99 -0.06 0.00 0.00 0.00 0.00 44.72 43.60 2x54 s GLY 251 CO 0.06 0.44 0.02 -0.98 0.00 0.00 0.00 173.10 172.64 2x54 s TRP 252 N 1.29 3.15 -0.19 1.90 0.52 0.41 -0.28 118.94 125.75 2x54 s TRP 252 Ca 0.06 -0.10 -0.03 0.00 0.02 0.00 0.00 56.10 56.05 2x54 s TRP 252 Cb -0.14 -2.03 0.06 0.00 -1.15 0.00 0.00 33.47 30.20 2x54 s TRP 252 CO 0.05 0.06 0.05 0.21 0.02 0.00 0.00 176.95 177.34 2x54 s LYS 253 N 0.40 0.48 7.31 4.98 2.20 -0.78 0.17 119.74 134.52 2x54 s LYS 253 Ca 0.00 -0.33 0.00 0.00 -0.36 0.00 0.00 55.97 55.28 2x54 s LYS 253 Cb -0.13 -2.03 0.00 0.00 -1.51 0.00 0.00 37.83 34.16 2x54 s LYS 253 CO 0.01 -0.66 0.00 0.41 -0.36 0.00 0.00 175.35 174.76 2x54 n GLY 254 N 5.11 2.76 0.61 5.54 0.00 -1.26 -1.84 105.19 116.12 2x54 n GLY 254 Ca -0.08 -0.05 0.07 0.00 0.00 0.00 0.00 46.02 45.96 2x54 n GLY 254 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2x54 n THR 255 N 0.00 0.22 -3.55 2.61 -2.24 -1.26 -4.99 114.28 105.07 2x54 n THR 255 Ca 0.00 -0.61 -0.36 0.00 -2.27 0.00 0.00 64.05 60.81 2x54 n THR 255 Cb 0.00 1.12 -0.07 0.00 -2.10 0.00 0.00 70.33 69.27 2x54 n THR 255 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 2x54 s THR 256 N -1.12 5.31 -0.20 4.28 2.01 -0.76 -5.09 115.64 120.06 2x54 s THR 256 Ca 0.19 0.50 -0.07 0.00 0.31 0.00 0.00 61.69 62.62 2x54 s THR 256 Cb 0.12 -3.62 -0.04 0.00 0.01 0.00 0.00 72.50 68.98 2x54 s THR 256 CO 0.18 0.37 0.06 0.00 -0.69 0.00 0.00 174.62 174.54 2x54 s ALA 257 N 0.63 3.31 -0.08 7.40 0.00 -1.26 -1.86 121.76 129.90 2x54 s ALA 257 Ca 0.15 -0.87 0.03 0.00 0.00 0.00 0.00 51.96 51.27 2x54 s ALA 257 Cb -0.13 -1.96 -0.02 0.00 0.00 0.00 0.00 23.12 21.01 2x54 s ALA 257 CO 0.04 -0.04 -0.18 -1.17 0.00 0.00 0.00 175.76 174.42 2x54 s LEU 258 N 0.78 2.50 -0.18 0.00 2.96 0.62 -4.97 118.68 120.38 2x54 s LEU 258 Ca 0.03 -0.35 -0.29 0.00 -0.22 0.00 0.00 54.13 53.30 2x54 s LEU 258 Cb -0.13 -1.51 -0.01 0.00 0.50 0.00 0.00 46.19 45.04 2x54 s LEU 258 CO 0.02 0.25 1.21 0.21 -1.32 0.00 0.00 176.35 176.72 2x54 s ASN 259 N -0.17 6.98 0.00 3.68 2.47 -1.26 -0.07 114.94 126.57 2x54 s ASN 259 Ca -0.01 1.62 0.23 0.00 0.42 0.00 0.00 52.86 55.11 2x54 s ASN 259 Cb -0.14 -2.54 0.51 0.00 -1.45 0.00 0.00 41.25 37.63 2x54 s ASN 259 CO 0.03 -0.74 1.45 0.18 -3.72 0.00 0.00 177.10 174.31 2x54 n LEU 260 N 6.53 3.51 0.01 3.21 4.77 -1.23 -4.66 117.00 129.14 2x54 n LEU 260 Ca 0.13 -1.59 -0.09 0.00 -0.03 0.00 0.00 56.01 54.43 2x54 n LEU 260 Cb 0.45 -0.32 -0.03 0.00 -2.33 0.00 0.00 43.42 41.19 2x54 n LEU 260 CO 0.55 0.80 0.75 0.15 -1.33 0.00 0.00 177.39 178.31 2x54 h PHE 261 N 4.30 -0.43 0.00 -1.77 3.04 -1.92 -2.81 116.94 117.35 2x54 h PHE 261 Ca 0.00 0.02 -0.04 0.00 3.98 0.00 0.00 57.97 61.93 2x54 h PHE 261 Cb 0.96 0.21 -0.01 0.00 2.56 0.00 0.00 35.95 39.67 2x54 h PHE 261 CO 0.32 -0.24 -0.18 -1.35 -2.02 0.00 0.00 178.31 174.84 2x54 h PRO 262 N -0.22 0.00 0.00 6.41 0.11 -2.00 -3.10 132.00 133.20 2x54 h PRO 262 Ca 0.09 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.20 2x54 h PRO 262 Cb 0.35 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.46 2x54 h PRO 262 CO -0.24 0.18 -0.04 0.28 -0.21 0.00 0.00 178.00 177.97 2x54 h VAL 263 N 0.00 0.00 -4.10 3.15 2.07 -1.86 -3.47 116.25 112.04 2x54 h VAL 263 Ca -0.00 -0.94 -0.54 0.00 0.82 0.00 0.00 66.70 66.04 2x54 h VAL 263 Cb 0.69 1.92 0.14 0.00 -1.52 0.00 0.00 31.29 32.51 2x54 h VAL 263 CO 0.02 0.00 0.50 -0.32 0.02 0.00 0.00 177.57 177.80 2x54 s MET 264 N -3.20 2.78 -0.40 1.57 0.00 -1.07 -3.26 119.30 115.71 2x54 s MET 264 Ca 0.07 1.97 -0.23 0.00 0.00 0.00 0.00 55.69 57.50 2x54 s MET 264 Cb 0.06 -1.91 0.02 0.00 0.00 0.00 0.00 34.83 33.00 2x54 s MET 264 CO 0.67 -1.40 0.77 0.34 0.00 0.00 0.00 175.02 175.40 2x54 s ASP 265 N -1.45 6.48 0.20 1.11 3.68 0.00 -4.93 116.67 121.77 2x54 s ASP 265 Ca 0.80 0.14 0.10 0.00 2.13 0.00 0.00 52.55 55.72 2x54 s ASP 265 Cb -0.35 -2.39 0.07 0.00 -1.45 0.00 0.00 42.92 38.81 2x54 s ASP 265 CO 0.37 -0.80 1.44 -0.26 0.13 0.00 0.00 175.17 176.05 2x54 h PHE 266 N 8.69 0.00 0.03 -5.34 0.04 -1.92 -3.20 116.94 115.23 2x54 h PHE 266 Ca -0.25 0.00 -0.25 0.00 2.80 0.00 0.00 57.97 60.27 2x54 h PHE 266 Cb 1.09 0.00 0.01 0.00 2.20 0.00 0.00 35.95 39.25 2x54 h PHE 266 CO 0.79 0.78 -1.04 0.93 -0.60 0.00 0.00 178.31 179.17 2x54 h GLU 267 N 0.00 0.52 -0.14 1.51 4.39 -1.96 -3.31 114.58 115.59 2x54 h GLU 267 Ca -0.01 -0.60 -0.14 0.00 0.34 0.00 0.00 59.36 58.96 2x54 h GLU 267 Cb 1.44 0.18 -0.01 0.00 -0.10 0.00 0.00 28.75 30.26 2x54 h GLU 267 CO 0.10 1.22 -0.50 0.00 -1.16 0.00 0.00 179.01 178.68 2x54 h ARG 268 N 0.27 0.37 -5.86 2.33 3.08 -1.85 -3.37 114.38 109.35 2x54 h ARG 268 Ca -0.12 -0.21 -0.65 0.00 0.07 0.00 0.00 59.98 59.07 2x54 h ARG 268 Cb 1.70 0.02 -0.08 0.00 0.08 0.00 0.00 29.97 31.68 2x54 h ARG 268 CO 0.19 0.78 2.07 -0.47 -1.07 0.00 0.00 179.97 181.48 2x54 s TYR 269 N -4.01 2.70 -0.00 3.04 6.14 -1.04 -1.21 117.35 122.97 2x54 s TYR 269 Ca -0.05 -1.42 -0.11 0.00 0.64 0.00 0.00 57.07 56.12 2x54 s TYR 269 Cb 0.12 -4.71 -0.32 0.00 0.42 0.00 0.00 41.96 37.48 2x54 s TYR 269 CO 0.80 -1.78 0.84 -0.09 0.64 0.00 0.00 175.55 175.96 2x54 h ARG 270 N 7.91 0.41 -4.09 4.97 9.65 -1.74 -3.47 114.38 128.01 2x54 h ARG 270 Ca 0.41 -0.70 -0.11 0.00 -1.10 0.00 0.00 59.98 58.48 2x54 h ARG 270 Cb 0.89 0.26 -0.15 0.00 -1.39 0.00 0.00 29.97 29.58 2x54 h ARG 270 CO 1.44 1.32 -0.57 -0.08 2.80 0.00 0.00 179.97 184.88 2x54 s THR 271 N -2.60 0.19 -0.16 0.20 -1.32 -1.26 -5.06 115.64 105.63 2x54 s THR 271 Ca -0.12 -1.59 0.09 0.00 -1.21 0.00 0.00 61.69 58.87 2x54 s THR 271 Cb 0.05 -1.48 -0.23 0.00 -1.51 0.00 0.00 72.50 69.33 2x54 s THR 271 CO 0.89 -0.85 0.21 -1.14 -2.21 0.00 0.00 174.62 171.52 2x54 n ARG 272 N 0.04 0.68 -2.21 7.08 0.63 -1.26 -4.84 116.66 116.77 2x54 n ARG 272 Ca -0.14 0.15 -0.43 0.00 -0.92 0.00 0.00 57.85 56.51 2x54 n ARG 272 Cb 0.62 -1.62 -0.02 0.00 0.45 0.00 0.00 32.46 31.88 2x54 n ARG 272 CO 0.00 0.00 0.00 0.42 -2.51 0.00 0.00 177.63 175.54 2x54 s ILE 273 N -2.54 3.82 -0.13 5.15 -1.09 -1.26 -4.75 121.20 120.40 2x54 s ILE 273 Ca -0.16 0.91 -0.19 0.00 -2.23 0.00 0.00 60.65 58.98 2x54 s ILE 273 Cb 0.07 -3.88 -0.04 0.00 -1.58 0.00 0.00 42.46 37.03 2x54 s ILE 273 CO 0.77 -0.40 0.51 -0.63 -1.23 0.00 0.00 174.94 173.96 2x54 s ILE 274 N 5.15 5.16 0.41 2.92 -1.09 -0.69 -4.99 121.20 128.06 2x54 s ILE 274 Ca 0.67 1.01 0.06 0.00 -2.23 0.00 0.00 60.65 60.16 2x54 s ILE 274 Cb -0.21 -3.85 0.01 0.00 -1.58 0.00 0.00 42.46 36.83 2x54 s ILE 274 CO 0.28 0.29 0.58 -1.61 -1.23 0.00 0.00 174.94 173.25 2x54 s GLU 275 N 0.85 2.91 0.03 2.79 0.41 -1.26 -1.86 118.70 122.57 2x54 s GLU 275 Ca 0.27 -1.02 -0.31 0.00 -0.41 0.00 0.00 54.97 53.50 2x54 s GLU 275 Cb -0.15 -2.72 -0.10 0.00 -1.78 0.00 0.00 34.13 29.38 2x54 s GLU 275 CO 0.11 -0.22 1.94 1.63 -0.49 0.00 0.00 175.26 178.23 2x54 n LYS 276 N -1.88 2.75 0.00 1.61 5.02 -1.26 -4.71 118.16 119.69 2x54 n LYS 276 Ca 0.05 1.01 0.00 0.00 -2.02 0.00 0.00 58.31 57.34 2x54 n LYS 276 Cb 0.59 -2.94 0.00 0.00 -0.02 0.00 0.00 35.03 32.66 2x54 n LYS 276 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2x54 n GLY 277 N 4.48 -0.52 3.25 0.72 0.00 -0.94 -3.22 105.19 108.97 2x54 n GLY 277 Ca 0.20 0.09 -0.09 0.00 0.00 0.00 0.00 46.02 46.23 2x54 n GLY 277 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2x54 s GLN 278 N 0.00 0.96 -0.08 1.61 -2.07 -0.42 -1.93 119.66 117.73 2x54 s GLN 278 Ca 0.00 -1.04 0.02 0.00 -1.82 0.00 0.00 55.36 52.52 2x54 s GLN 278 Cb 0.00 0.35 -0.02 0.00 -1.09 0.00 0.00 33.01 32.25 2x54 s GLN 278 CO 0.00 -0.33 -0.13 1.41 -1.32 0.00 0.00 175.29 174.92 2x54 s MET 279 N -3.90 2.84 -0.03 9.60 -2.45 -0.81 -0.69 119.30 123.86 2x54 s MET 279 Ca 0.10 -0.68 0.06 0.00 -1.25 0.00 0.00 55.69 53.91 2x54 s MET 279 Cb 0.04 -2.48 -0.02 0.00 1.25 0.00 0.00 34.83 33.62 2x54 s MET 279 CO -0.07 0.47 -0.20 -1.21 1.05 0.00 0.00 175.02 175.07 2x54 s GLU 280 N -0.33 2.30 -0.39 4.11 2.02 -0.68 -4.07 118.70 121.66 2x54 s GLU 280 Ca 0.03 -0.81 -0.18 0.00 0.02 0.00 0.00 54.97 54.03 2x54 s GLU 280 Cb -0.13 -2.21 0.01 0.00 0.10 0.00 0.00 34.13 31.91 2x54 s GLU 280 CO 0.02 0.59 0.48 -0.51 0.02 0.00 0.00 175.26 175.87 2x54 s LEU 281 N -0.67 4.59 -0.34 1.80 1.43 -1.26 -1.92 118.68 122.30 2x54 s LEU 281 Ca 0.11 -0.37 -0.22 0.00 -1.03 0.00 0.00 54.13 52.62 2x54 s LEU 281 Cb -0.10 -2.49 0.00 0.00 0.03 0.00 0.00 46.19 43.62 2x54 s LEU 281 CO -0.00 -0.55 0.71 -0.63 0.23 0.00 0.00 176.35 176.11 2x54 s ILE 282 N 2.31 4.83 -1.26 -0.59 1.01 0.85 -4.35 121.20 124.00 2x54 s ILE 282 Ca 0.16 0.84 -0.09 0.00 0.00 0.00 0.00 60.65 61.56 2x54 s ILE 282 Cb -0.16 -4.12 -0.01 0.00 0.01 0.00 0.00 42.46 38.19 2x54 s ILE 282 CO 0.14 -0.31 0.66 -3.20 0.00 0.00 0.00 174.94 172.24 2x54 n ASN 283 N 6.16 -2.80 -4.07 3.58 5.15 -1.26 -1.59 115.26 120.43 2x54 n ASN 283 Ca 0.01 -0.95 -0.21 0.00 -0.60 0.00 0.00 54.58 52.83 2x54 n ASN 283 Cb 0.48 -3.55 -0.15 0.00 -0.53 0.00 0.00 39.78 36.03 2x54 n ASN 283 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 2x54 s LEU 284 N -6.62 1.98 -0.10 1.20 1.43 -1.26 -2.15 118.68 113.16 2x54 s LEU 284 Ca 0.21 -0.22 0.00 0.00 -1.03 0.00 0.00 54.13 53.09 2x54 s LEU 284 Cb -0.07 -0.64 -0.25 0.00 0.03 0.00 0.00 46.19 45.26 2x54 s LEU 284 CO 0.85 0.14 0.46 -1.54 0.23 0.00 0.00 176.35 176.49 2x54 n SER 285 N 2.88 1.67 -3.76 2.29 3.41 0.04 -4.82 113.62 115.34 2x54 n SER 285 Ca -0.15 0.28 -0.12 0.00 -0.26 0.00 0.00 58.87 58.61 2x54 n SER 285 Cb 0.55 -0.56 -0.08 0.00 -0.26 0.00 0.00 64.21 63.86 2x54 n SER 285 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 2x54 s LYS 286 N -2.57 0.75 -0.13 4.33 2.20 -1.23 -5.05 119.74 118.03 2x54 s LYS 286 Ca -0.16 -0.36 -0.10 0.00 -0.36 0.00 0.00 55.97 54.98 2x54 s LYS 286 Cb 0.07 0.33 0.04 0.00 -1.51 0.00 0.00 37.83 36.76 2x54 s LYS 286 CO 0.79 -0.23 0.34 0.00 -0.36 0.00 0.00 175.35 175.89 2x54 s ALA 287 N -2.00 -0.83 -0.15 3.13 0.00 -1.26 -1.22 121.76 119.42 2x54 s ALA 287 Ca -0.09 1.05 0.00 0.00 0.00 0.00 0.00 51.96 52.93 2x54 s ALA 287 Cb -0.03 -0.62 0.02 0.00 0.00 0.00 0.00 23.12 22.49 2x54 s ALA 287 CO 0.00 -0.18 -0.14 -1.21 0.00 0.00 0.00 175.76 174.23 2x54 s GLU 288 N 0.51 2.26 0.01 0.00 2.02 -0.20 -5.00 118.70 118.30 2x54 s GLU 288 Ca -0.03 -0.55 0.08 0.00 0.02 0.00 0.00 54.97 54.49 2x54 s GLU 288 Cb -0.04 -2.09 -0.02 0.00 0.10 0.00 0.00 34.13 32.07 2x54 s GLU 288 CO -0.03 -0.25 -0.24 -0.06 0.02 0.00 0.00 175.26 174.71 2x54 s PHE 289 N 1.49 2.10 -0.25 1.61 0.08 -1.24 -0.42 117.98 121.35 2x54 s PHE 289 Ca 0.05 -0.40 0.00 0.00 0.12 0.00 0.00 56.93 56.70 2x54 s PHE 289 Cb -0.13 -1.31 0.07 0.00 -0.57 0.00 0.00 43.02 41.08 2x54 s PHE 289 CO -0.11 0.02 0.00 0.15 -0.10 0.00 0.00 175.22 175.19 2x54 s LYS 290 N -0.82 1.26 -0.17 0.44 -0.14 -0.63 -0.29 119.74 119.40 2x54 s LYS 290 Ca 0.09 -1.00 -0.11 0.00 -1.36 0.00 0.00 55.97 53.59 2x54 s LYS 290 Cb -0.09 -2.45 -0.05 0.00 -1.68 0.00 0.00 37.83 33.56 2x54 s LYS 290 CO 0.00 -0.72 0.20 0.42 -0.76 0.00 0.00 175.35 174.50 2x54 s ILE 291 N 1.47 5.37 -0.28 2.17 1.01 0.69 -1.72 121.20 129.90 2x54 s ILE 291 Ca -0.00 0.35 -0.01 0.00 0.00 0.00 0.00 60.65 60.99 2x54 s ILE 291 Cb -0.18 -3.53 0.04 0.00 0.01 0.00 0.00 42.46 38.80 2x54 s ILE 291 CO -0.10 0.45 -0.04 -1.59 0.00 0.00 0.00 174.94 173.66 2x54 s LYS 292 N 0.15 2.54 -0.13 2.79 -2.85 -0.56 -1.50 119.74 120.17 2x54 s LYS 292 Ca 0.13 -1.18 0.01 0.00 -1.00 0.00 0.00 55.97 53.93 2x54 s LYS 292 Cb -0.12 -3.07 -0.01 0.00 -2.06 0.00 0.00 37.83 32.57 2x54 s LYS 292 CO 0.02 -0.54 -0.17 0.50 0.10 0.00 0.00 175.35 175.26 2x54 s ARG 293 N 1.26 3.26 0.48 1.78 3.52 -1.02 -2.44 118.95 125.78 2x54 s ARG 293 Ca -0.04 -0.75 -0.20 0.00 -0.13 0.00 0.00 55.73 54.61 2x54 s ARG 293 Cb -0.19 -2.54 -0.09 0.00 -1.56 0.00 0.00 34.95 30.58 2x54 s ARG 293 CO -0.03 0.16 1.01 0.21 -0.81 0.00 0.00 175.30 175.84 2x54 s LYS 294 N 0.45 3.89 -0.07 5.12 2.20 -1.26 -0.20 119.74 129.87 2x54 s LYS 294 Ca -0.12 1.24 -0.03 0.00 -0.36 0.00 0.00 55.97 56.71 2x54 s LYS 294 Cb -0.16 -2.12 0.04 0.00 -1.51 0.00 0.00 37.83 34.08 2x54 s LYS 294 CO 0.05 -0.34 0.11 0.00 -0.36 0.00 0.00 175.35 174.82 2x54 s ALA 295 N -2.13 0.05 0.04 3.13 0.00 0.69 -4.91 121.76 118.64 2x54 s ALA 295 Ca 0.65 0.33 -0.25 0.00 0.00 0.00 0.00 51.96 52.69 2x54 s ALA 295 Cb -0.14 -0.75 -0.17 0.00 0.00 0.00 0.00 23.12 22.06 2x54 s ALA 295 CO 0.20 -0.58 1.53 -0.44 0.00 0.00 0.00 175.76 176.48 2x54 h ASP 296 N 8.40 -0.07 -3.46 0.00 5.19 -1.79 -3.37 116.42 121.33 2x54 h ASP 296 Ca -0.13 -0.18 -0.54 0.00 -0.62 0.00 0.00 57.03 55.56 2x54 h ASP 296 Cb 1.12 0.02 -0.33 0.00 0.18 0.00 0.00 39.33 40.32 2x54 h ASP 296 CO 0.16 0.14 -0.83 0.12 -3.12 0.00 0.00 179.24 175.71 2x54 s PHE 297 N -5.40 1.65 0.00 4.55 2.19 -1.26 -4.80 117.98 114.90 2x54 s PHE 297 Ca -0.14 -0.61 0.00 0.00 0.33 0.00 0.00 56.93 56.51 2x54 s PHE 297 Cb 0.04 -1.17 0.00 0.00 -1.31 0.00 0.00 43.02 40.58 2x54 s PHE 297 CO 0.65 -0.29 0.00 0.28 1.83 0.00 0.00 175.22 177.70