#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3it8 s THR 2 N 0.00 0.04 -0.15 7.28 2.01 -1.26 -1.70 115.64 121.86 3it8 s THR 2 Ca 0.00 -0.31 -0.01 0.00 0.31 0.00 0.00 61.69 61.68 3it8 s THR 2 Cb 0.00 -0.20 0.04 0.00 0.01 0.00 0.00 72.50 72.35 3it8 s THR 2 CO 0.00 -0.17 -0.03 -0.22 -0.69 0.00 0.00 174.62 173.51 3it8 s LEU 3 N -0.51 1.36 -0.06 4.42 2.96 -0.75 -0.28 118.68 125.81 3it8 s LEU 3 Ca -0.06 -0.57 0.04 0.00 -0.22 0.00 0.00 54.13 53.32 3it8 s LEU 3 Cb -0.04 -0.79 0.00 0.00 0.50 0.00 0.00 46.19 45.87 3it8 s LEU 3 CO 0.00 -0.20 -0.17 -0.75 -1.32 0.00 0.00 176.35 173.91 3it8 s LYS 4 N 1.73 2.02 -0.14 1.98 2.20 0.20 -1.10 119.74 126.63 3it8 s LYS 4 Ca 0.01 -0.60 -0.01 0.00 -0.36 0.00 0.00 55.97 55.01 3it8 s LYS 4 Cb -0.15 -1.66 -0.02 0.00 -1.51 0.00 0.00 37.83 34.49 3it8 s LYS 4 CO -0.07 0.16 -0.11 0.71 -0.36 0.00 0.00 175.35 175.68 3it8 s TYR 5 N 0.30 2.86 -0.17 4.03 1.51 0.12 -1.02 117.35 124.98 3it8 s TYR 5 Ca -0.10 -0.60 -0.01 0.00 -1.01 0.00 0.00 57.07 55.35 3it8 s TYR 5 Cb -0.14 -1.88 0.04 0.00 -0.11 0.00 0.00 41.96 39.87 3it8 s TYR 5 CO 0.04 -0.20 -0.04 1.21 -1.11 0.00 0.00 175.55 175.45 3it8 s ASN 6 N 0.42 2.88 -0.16 2.29 3.84 -0.47 -1.76 114.94 121.98 3it8 s ASN 6 Ca -0.09 -0.70 -0.04 0.00 0.21 0.00 0.00 52.86 52.25 3it8 s ASN 6 Cb -0.15 -0.89 -0.03 0.00 -0.55 0.00 0.00 41.25 39.63 3it8 s ASN 6 CO 0.05 -0.20 -0.04 -0.31 -2.79 0.00 0.00 177.10 173.81 3it8 s TYR 7 N 1.65 3.02 -0.04 0.43 1.51 -0.84 -0.97 117.35 122.11 3it8 s TYR 7 Ca 0.00 -0.30 -0.01 0.00 -1.01 0.00 0.00 57.07 55.75 3it8 s TYR 7 Cb -0.16 -1.96 0.03 0.00 -0.11 0.00 0.00 41.96 39.77 3it8 s TYR 7 CO -0.07 -0.04 0.06 0.99 -1.11 0.00 0.00 175.55 175.37 3it8 s THR 8 N 0.37 -0.09 -0.08 -0.71 2.01 0.47 -0.42 115.64 117.18 3it8 s THR 8 Ca -0.04 0.31 0.01 0.00 0.31 0.00 0.00 61.69 62.28 3it8 s THR 8 Cb -0.14 -0.13 -0.03 0.00 0.01 0.00 0.00 72.50 72.21 3it8 s THR 8 CO 0.03 0.13 -0.08 0.68 -0.69 0.00 0.00 174.62 174.69 3it8 s VAL 9 N 1.61 3.60 0.08 3.82 -7.23 -0.70 -0.93 120.40 120.65 3it8 s VAL 9 Ca -0.03 -0.51 0.07 0.00 -1.81 0.00 0.00 61.98 59.70 3it8 s VAL 9 Cb -0.12 -2.48 -0.03 0.00 0.56 0.00 0.00 36.38 34.31 3it8 s VAL 9 CO -0.03 0.58 -0.17 -0.89 -0.31 0.00 0.00 175.10 174.27 3it8 s THR 10 N -0.58 1.41 -1.24 5.32 2.01 0.44 -1.37 115.64 121.63 3it8 s THR 10 Ca 0.09 -1.36 0.28 0.00 0.31 0.00 0.00 61.69 61.01 3it8 s THR 10 Cb -0.12 -1.30 0.38 0.00 0.01 0.00 0.00 72.50 71.48 3it8 s THR 10 CO 0.02 -0.09 1.95 -0.11 -0.69 0.00 0.00 174.62 175.70 3it8 n LEU 11 N 1.32 0.00 0.00 4.42 0.00 0.85 -0.27 117.00 123.32 3it8 n LEU 11 Ca -0.20 0.38 0.00 0.00 0.00 0.00 0.00 56.01 56.19 3it8 n LEU 11 Cb 0.54 -0.38 0.00 0.00 0.00 0.00 0.00 43.42 43.58 3it8 n LEU 11 CO 0.22 -0.02 0.00 0.29 0.00 0.00 0.00 177.39 177.88 3it8 n LYS 12 N -1.38 0.00 0.00 1.96 4.76 -1.26 -4.36 118.16 117.88 3it8 n LYS 12 Ca 0.11 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.55 3it8 n LYS 12 Cb 0.27 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.46 3it8 n LYS 12 CO 0.00 0.00 0.00 -0.40 -1.37 0.00 0.00 177.40 175.63 3it8 n ASP 13 N -3.66 0.00 -4.38 4.39 5.68 -1.26 -4.80 116.55 112.53 3it8 n ASP 13 Ca 0.00 0.00 -0.36 0.00 -0.50 0.00 0.00 54.79 53.93 3it8 n ASP 13 Cb 0.00 0.00 -0.13 0.00 -1.14 0.00 0.00 41.12 39.85 3it8 n ASP 13 CO 0.00 0.00 0.00 -1.81 -1.33 0.00 0.00 177.20 174.06 3it8 s ASP 14 N -2.15 4.69 0.00 -1.12 1.11 -1.26 -4.95 116.67 112.99 3it8 s ASP 14 Ca 0.00 -0.30 0.00 0.00 0.18 0.00 0.00 52.55 52.43 3it8 s ASP 14 Cb 0.00 -1.82 0.00 0.00 1.07 0.00 0.00 42.92 42.17 3it8 s ASP 14 CO 0.00 -0.02 0.00 0.61 1.18 0.00 0.00 175.17 176.94 3it8 n GLY 15 N 4.83 0.73 3.73 0.21 0.00 -1.26 -5.11 105.19 108.32 3it8 n GLY 15 Ca -0.17 -0.61 -0.29 0.00 0.00 0.00 0.00 46.02 44.95 3it8 n GLY 15 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3it8 s LEU 16 N 0.00 1.77 -0.22 0.99 1.43 -1.26 -5.01 118.68 116.38 3it8 s LEU 16 Ca 0.00 1.04 -0.04 0.00 -1.03 0.00 0.00 54.13 54.10 3it8 s LEU 16 Cb 0.00 -3.28 -0.01 0.00 0.03 0.00 0.00 46.19 42.93 3it8 s LEU 16 CO 0.00 -2.88 -0.03 -0.31 0.23 0.00 0.00 176.35 173.36 3it8 s TYR 17 N -3.13 2.97 0.39 0.29 1.51 -1.26 -4.32 117.35 113.79 3it8 s TYR 17 Ca 0.65 -0.80 -0.11 0.00 -1.01 0.00 0.00 57.07 55.80 3it8 s TYR 17 Cb -0.16 -2.10 -0.07 0.00 -0.11 0.00 0.00 41.96 39.52 3it8 s TYR 17 CO 0.55 -0.47 0.75 -0.51 -1.11 0.00 0.00 175.55 174.77 3it8 s ASP 18 N 1.36 6.55 -0.01 2.29 1.01 0.62 -4.82 116.67 123.68 3it8 s ASP 18 Ca 0.04 1.13 0.00 0.00 0.71 0.00 0.00 52.55 54.44 3it8 s ASP 18 Cb -0.14 -2.32 0.01 0.00 1.01 0.00 0.00 42.92 41.48 3it8 s ASP 18 CO -0.01 -0.36 0.00 -0.83 0.21 0.00 0.00 175.17 174.18 3it8 s GLY 19 N -3.02 0.10 0.04 0.21 0.00 -1.26 -0.42 107.32 102.98 3it8 s GLY 19 Ca 0.51 0.08 -0.01 0.00 0.00 0.00 0.00 44.72 45.30 3it8 s GLY 19 CO 0.29 0.25 -0.03 -1.34 0.00 0.00 0.00 173.10 172.27 3it8 s VAL 20 N 0.43 0.19 -0.01 1.40 -7.23 -0.11 -1.01 120.40 114.07 3it8 s VAL 20 Ca -0.04 -1.55 -0.00 0.00 -1.81 0.00 0.00 61.98 58.58 3it8 s VAL 20 Cb -0.06 -1.15 0.01 0.00 0.56 0.00 0.00 36.38 35.74 3it8 s VAL 20 CO -0.01 -0.85 0.02 0.12 -0.31 0.00 0.00 175.10 174.07 3it8 s PHE 21 N -3.19 -0.01 -0.03 2.82 5.36 0.11 -0.39 117.98 122.64 3it8 s PHE 21 Ca 0.00 0.08 0.04 0.00 -0.96 0.00 0.00 56.93 56.09 3it8 s PHE 21 Cb 0.03 -0.07 -0.00 0.00 -0.34 0.00 0.00 43.02 42.63 3it8 s PHE 21 CO -0.07 -0.04 -0.13 0.71 -1.46 0.00 0.00 175.22 174.22 3it8 s TYR 22 N 0.38 1.33 -0.26 10.12 1.51 -0.15 -1.43 117.35 128.85 3it8 s TYR 22 Ca -0.03 -0.33 -0.01 0.00 -1.01 0.00 0.00 57.07 55.69 3it8 s TYR 22 Cb -0.04 -0.90 0.04 0.00 -0.11 0.00 0.00 41.96 40.94 3it8 s TYR 22 CO -0.01 -0.10 -0.06 0.34 -1.11 0.00 0.00 175.55 174.60 3it8 s ASP 23 N -0.00 4.40 -0.14 2.29 -1.08 -0.25 -1.36 116.67 120.53 3it8 s ASP 23 Ca -0.01 -1.03 0.02 0.00 -0.52 0.00 0.00 52.55 51.01 3it8 s ASP 23 Cb -0.09 -1.65 0.01 0.00 -1.46 0.00 0.00 42.92 39.73 3it8 s ASP 23 CO 0.01 -0.16 -0.22 -1.00 0.52 0.00 0.00 175.17 174.32 3it8 s HIS 24 N 1.27 2.67 -0.35 -5.34 3.76 -0.19 0.42 115.29 117.54 3it8 s HIS 24 Ca -0.02 -1.32 -0.11 0.00 -0.15 0.00 0.00 55.06 53.46 3it8 s HIS 24 Cb -0.18 -1.81 0.01 0.00 1.11 0.00 0.00 32.58 31.71 3it8 s HIS 24 CO -0.04 -0.60 0.19 -0.47 -0.85 0.00 0.00 174.74 172.97 3it8 s TYR 25 N 0.79 3.21 0.00 1.40 5.04 -0.44 -0.63 117.35 126.73 3it8 s TYR 25 Ca -0.08 -0.72 0.00 0.00 -2.44 0.00 0.00 57.07 53.83 3it8 s TYR 25 Cb -0.16 -2.41 0.00 0.00 0.35 0.00 0.00 41.96 39.74 3it8 s TYR 25 CO -0.01 -0.54 0.00 0.09 -1.34 0.00 0.00 175.55 173.74 3it8 n ASN 26 N 5.01 0.00 -1.45 4.32 3.02 0.61 -0.42 115.26 126.35 3it8 n ASN 26 Ca -0.13 0.00 0.08 0.00 -0.03 0.00 0.00 54.58 54.50 3it8 n ASN 26 Cb 0.48 0.00 0.32 0.00 -0.61 0.00 0.00 39.78 39.96 3it8 n ASN 26 CO 0.00 0.00 0.00 -0.90 -2.62 0.00 0.00 177.26 173.74 3it8 n ASP 27 N 3.21 4.29 -4.59 6.41 5.68 -1.26 -4.91 116.55 125.38 3it8 n ASP 27 Ca 0.00 -2.41 -0.40 0.00 -0.50 0.00 0.00 54.79 51.48 3it8 n ASP 27 Cb 0.00 -0.55 -0.09 0.00 -1.14 0.00 0.00 41.12 39.35 3it8 n ASP 27 CO 0.00 0.00 0.00 -1.10 -1.33 0.00 0.00 177.20 174.77 3it8 s GLN 28 N -1.85 3.90 0.15 0.11 -1.52 0.44 -5.05 119.66 115.85 3it8 s GLN 28 Ca 0.45 -0.01 -0.31 0.00 -1.95 0.00 0.00 55.36 53.54 3it8 s GLN 28 Cb 0.29 -3.70 -0.09 0.00 -0.22 0.00 0.00 33.01 29.29 3it8 s GLN 28 CO 0.21 -0.38 1.47 -1.17 -0.25 0.00 0.00 175.29 175.17 3it8 s LEU 29 N 2.15 4.37 -0.13 2.90 2.96 -1.26 -1.33 118.68 128.35 3it8 s LEU 29 Ca 0.16 2.49 0.01 0.00 -0.22 0.00 0.00 54.13 56.58 3it8 s LEU 29 Cb -0.16 -3.59 -0.09 0.00 0.50 0.00 0.00 46.19 42.85 3it8 s LEU 29 CO 0.11 -0.73 -0.11 0.52 -1.32 0.00 0.00 176.35 174.82 3it8 n VAL 30 N 3.75 0.75 -3.75 1.68 0.31 0.17 -4.45 118.33 116.78 3it8 n VAL 30 Ca 0.12 -0.30 -0.13 0.00 -0.01 0.00 0.00 64.34 64.02 3it8 n VAL 30 Cb 0.40 -0.95 -0.11 0.00 -0.91 0.00 0.00 33.84 32.28 3it8 n VAL 30 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 3it8 s THR 31 N -2.26 -0.00 -0.04 2.52 2.01 -1.15 -0.92 115.64 115.80 3it8 s THR 31 Ca -0.17 0.00 0.03 0.00 0.31 0.00 0.00 61.69 61.87 3it8 s THR 31 Cb 0.04 -0.49 0.00 0.00 0.01 0.00 0.00 72.50 72.06 3it8 s THR 31 CO 0.31 0.00 -0.13 -0.75 -0.69 0.00 0.00 174.62 173.36 3it8 s LYS 32 N 0.23 1.51 -0.01 4.92 2.20 -0.73 -1.09 119.74 126.77 3it8 s LYS 32 Ca -0.00 -0.46 0.02 0.00 -0.36 0.00 0.00 55.97 55.16 3it8 s LYS 32 Cb -0.03 -1.32 -0.00 0.00 -1.51 0.00 0.00 37.83 34.98 3it8 s LYS 32 CO 0.00 0.14 -0.06 0.42 -0.36 0.00 0.00 175.35 175.49 3it8 s ILE 33 N 0.27 0.49 0.04 5.43 1.01 -0.51 -0.38 121.20 127.54 3it8 s ILE 33 Ca -0.07 -0.25 0.02 0.00 0.00 0.00 0.00 60.65 60.35 3it8 s ILE 33 Cb -0.12 -0.42 -0.03 0.00 0.01 0.00 0.00 42.46 41.91 3it8 s ILE 33 CO 0.02 0.14 -0.07 -0.94 0.00 0.00 0.00 174.94 174.10 3it8 s SER 34 N -0.07 0.75 -0.17 3.58 1.04 -0.92 0.04 113.70 117.96 3it8 s SER 34 Ca 0.01 -0.59 -0.29 0.00 0.48 0.00 0.00 55.95 55.56 3it8 s SER 34 Cb -0.03 0.06 -0.01 0.00 0.10 0.00 0.00 66.02 66.14 3it8 s SER 34 CO -0.00 -0.25 1.21 -0.47 0.98 0.00 0.00 173.24 174.70 3it8 s TYR 35 N -1.63 2.98 -0.41 5.02 5.04 -0.18 -1.39 117.35 126.78 3it8 s TYR 35 Ca -0.09 1.13 -0.25 0.00 -2.44 0.00 0.00 57.07 55.42 3it8 s TYR 35 Cb -0.08 -3.44 0.02 0.00 0.35 0.00 0.00 41.96 38.80 3it8 s TYR 35 CO -0.01 -1.39 0.87 1.21 -1.34 0.00 0.00 175.55 174.89 3it8 s ASN 36 N 1.77 6.55 0.40 4.32 3.84 -0.07 -4.72 114.94 127.02 3it8 s ASN 36 Ca 0.52 0.28 0.17 0.00 0.21 0.00 0.00 52.86 54.04 3it8 s ASN 36 Cb -0.20 -2.43 0.83 0.00 -0.55 0.00 0.00 41.25 38.90 3it8 s ASN 36 CO 0.13 -0.89 1.84 0.45 -2.79 0.00 0.00 177.10 175.84 3it8 h HIS 37 N 8.74 0.00 0.34 0.43 3.86 -1.94 0.73 115.15 127.31 3it8 h HIS 37 Ca -0.24 0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 58.95 3it8 h HIS 37 Cb 1.08 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.56 3it8 h HIS 37 CO 0.83 0.34 -0.17 1.49 0.86 0.00 0.00 177.93 181.28 3it8 h GLU 38 N 0.00 -0.45 -0.02 2.45 4.81 -1.96 -3.34 114.58 116.08 3it8 h GLU 38 Ca -0.00 0.03 -0.15 0.00 -0.13 0.00 0.00 59.36 59.11 3it8 h GLU 38 Cb 0.67 0.10 -0.02 0.00 0.63 0.00 0.00 28.75 30.14 3it8 h GLU 38 CO 0.04 -0.14 -0.68 1.15 -0.73 0.00 0.00 179.01 178.65 3it8 h THR 39 N -0.98 1.45 -0.28 0.32 2.02 -1.97 -3.48 112.91 109.99 3it8 h THR 39 Ca -0.05 -2.25 -0.03 0.00 0.77 0.00 0.00 66.41 64.86 3it8 h THR 39 Cb 0.51 2.20 -0.00 0.00 -1.74 0.00 0.00 68.15 69.12 3it8 h THR 39 CO 0.08 0.65 -0.04 0.54 0.37 0.00 0.00 175.52 177.12 3it8 n ARG 40 N -3.77 -0.15 -3.93 6.66 5.12 0.26 -5.05 116.66 115.80 3it8 n ARG 40 Ca -0.02 0.07 -0.08 0.00 -1.93 0.00 0.00 57.85 55.90 3it8 n ARG 40 Cb 0.67 -3.61 -0.03 0.00 -1.16 0.00 0.00 32.46 28.32 3it8 n ARG 40 CO 0.00 0.00 0.00 -3.38 -1.93 0.00 0.00 177.63 172.32 3it8 s HIS 41 N -2.13 0.09 0.63 -1.55 -3.43 -1.19 -4.96 115.29 102.75 3it8 s HIS 41 Ca 0.00 -0.50 -0.10 0.00 -0.80 0.00 0.00 55.06 53.66 3it8 s HIS 41 Cb -0.00 0.46 -0.02 0.00 -1.43 0.00 0.00 32.58 31.58 3it8 s HIS 41 CO 0.00 -1.13 1.02 0.20 -2.00 0.00 0.00 174.74 172.84 3it8 s GLY 42 N -2.97 1.64 -0.00 -1.38 0.00 -1.26 -0.89 107.32 102.45 3it8 s GLY 42 Ca 0.17 -0.21 0.01 0.00 0.00 0.00 0.00 44.72 44.69 3it8 s GLY 42 CO 0.08 0.08 -0.04 -1.31 0.00 0.00 0.00 173.10 171.91 3it8 s ASN 43 N -4.22 0.49 -0.24 1.64 0.01 -0.49 -4.84 114.94 107.29 3it8 s ASN 43 Ca 0.55 -0.10 -0.28 0.00 -0.71 0.00 0.00 52.86 52.32 3it8 s ASN 43 Cb -0.11 -0.05 0.01 0.00 0.41 0.00 0.00 41.25 41.51 3it8 s ASN 43 CO 0.52 0.03 1.01 -0.69 -1.51 0.00 0.00 177.10 176.47 3it8 s VAL 44 N -0.17 4.69 -0.11 1.60 1.01 -1.26 -2.16 120.40 123.99 3it8 s VAL 44 Ca 0.01 1.94 0.13 0.00 0.00 0.00 0.00 61.98 64.06 3it8 s VAL 44 Cb -0.02 -4.29 -0.24 0.00 0.00 0.00 0.00 36.38 31.83 3it8 s VAL 44 CO -0.00 -0.19 0.40 0.59 0.00 0.00 0.00 175.10 175.89 3it8 n ASN 45 N 6.33 0.66 -3.89 3.32 3.02 0.49 -4.96 115.26 120.22 3it8 n ASN 45 Ca 0.11 0.23 -0.11 0.00 -0.03 0.00 0.00 54.58 54.78 3it8 n ASN 45 Cb 0.46 0.27 -0.12 0.00 -0.61 0.00 0.00 39.78 39.79 3it8 n ASN 45 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 3it8 s PHE 46 N -2.55 0.05 -0.17 3.10 5.36 -1.13 -4.95 117.98 117.69 3it8 s PHE 46 Ca -0.09 -0.10 -0.05 0.00 -0.96 0.00 0.00 56.93 55.74 3it8 s PHE 46 Cb 0.07 -0.06 0.08 0.00 -0.34 0.00 0.00 43.02 42.78 3it8 s PHE 46 CO 0.82 -0.13 0.30 0.50 -1.46 0.00 0.00 175.22 175.24 3it8 s ARG 47 N -0.71 0.21 0.27 10.12 6.06 -1.26 -1.78 118.95 131.87 3it8 s ARG 47 Ca -0.08 0.68 -0.30 0.00 -2.50 0.00 0.00 55.73 53.53 3it8 s ARG 47 Cb -0.05 -0.21 -0.13 0.00 0.06 0.00 0.00 34.95 34.62 3it8 s ARG 47 CO 0.00 -0.38 1.41 0.00 -2.50 0.00 0.00 175.30 173.82 3it8 n ALA 48 N 5.35 1.38 0.23 6.12 0.00 -0.10 -4.87 120.51 128.63 3it8 n ALA 48 Ca -0.06 0.39 0.08 0.00 0.00 0.00 0.00 53.44 53.85 3it8 n ALA 48 Cb 0.50 -2.30 0.62 0.00 0.00 0.00 0.00 19.45 18.27 3it8 n ALA 48 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.50 177.88 3it8 h ASP 49 N 3.88 0.05 0.78 0.00 2.03 -1.94 -2.68 116.42 118.53 3it8 h ASP 49 Ca -0.46 -0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.84 3it8 h ASP 49 Cb 1.27 -0.01 0.00 0.00 -0.83 0.00 0.00 39.33 39.76 3it8 h ASP 49 CO 0.73 0.04 -0.14 -2.67 -1.03 0.00 0.00 179.24 176.16 3it8 n TRP 50 N -4.53 0.00 -3.38 4.15 4.27 -1.26 -4.76 117.44 111.93 3it8 n TRP 50 Ca -0.02 0.00 -0.44 0.00 -3.89 0.00 0.00 57.50 53.15 3it8 n TRP 50 Cb 0.09 -0.39 -0.08 0.00 -1.36 0.00 0.00 31.31 29.57 3it8 n TRP 50 CO 0.00 0.00 0.00 0.12 -2.29 0.00 0.00 177.69 175.52 3it8 s PHE 51 N -2.92 3.22 -0.59 -2.67 5.36 -1.01 -4.74 117.98 114.62 3it8 s PHE 51 Ca 0.16 -0.74 -0.19 0.00 -0.96 0.00 0.00 56.93 55.20 3it8 s PHE 51 Cb 0.19 -3.02 0.10 0.00 -0.34 0.00 0.00 43.02 39.95 3it8 s PHE 51 CO 0.56 -0.75 0.72 1.21 -1.46 0.00 0.00 175.22 175.50 3it8 s ASN 52 N 2.27 6.18 0.54 6.13 3.84 -1.26 -4.86 114.94 127.79 3it8 s ASN 52 Ca 0.06 -1.37 0.29 0.00 0.21 0.00 0.00 52.86 52.05 3it8 s ASN 52 Cb -0.22 -2.31 1.55 0.00 -0.55 0.00 0.00 41.25 39.73 3it8 s ASN 52 CO 0.09 -1.13 1.85 -0.29 -2.79 0.00 0.00 177.10 174.84 3it8 h ILE 53 N 5.93 0.00 0.00 -5.21 2.10 -1.95 0.15 117.51 118.53 3it8 h ILE 53 Ca -0.29 0.00 -0.01 0.00 1.08 0.00 0.00 64.86 65.64 3it8 h ILE 53 Cb 1.09 0.63 -0.00 0.00 -1.09 0.00 0.00 36.82 37.45 3it8 h ILE 53 CO 1.10 0.00 -0.04 0.28 -1.08 0.00 0.00 178.15 178.41 3it8 h SER 54 N 0.00 0.00 -0.45 2.19 0.02 -2.01 -2.79 113.55 110.52 3it8 h SER 54 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3it8 h SER 54 Cb 0.40 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.94 3it8 h SER 54 CO 0.00 0.04 0.00 0.54 -1.14 0.00 0.00 176.83 176.27 3it8 n ARG 55 N -3.12 2.10 -3.35 3.45 1.74 0.53 -4.46 116.66 113.54 3it8 n ARG 55 Ca 0.02 -1.70 -0.26 0.00 -0.77 0.00 0.00 57.85 55.15 3it8 n ARG 55 Cb 0.44 -1.38 -0.08 0.00 -1.02 0.00 0.00 32.46 30.42 3it8 n ARG 55 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 3it8 n SER 56 N 0.88 2.50 -0.14 0.55 2.88 -1.05 -4.91 113.62 114.33 3it8 n SER 56 Ca 0.16 -3.18 0.28 0.00 -1.33 0.00 0.00 58.87 54.80 3it8 n SER 56 Cb 0.41 -0.66 0.64 0.00 -0.75 0.00 0.00 64.21 63.85 3it8 n SER 56 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 3it8 h PRO 57 N 4.15 0.00 -0.52 -1.46 0.11 -1.78 -0.61 132.00 131.89 3it8 h PRO 57 Ca 0.16 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.27 3it8 h PRO 57 Cb 0.74 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.85 3it8 h PRO 57 CO 0.70 0.00 0.00 0.72 -0.21 0.00 0.00 178.00 179.21 3it8 n HIS 58 N -3.62 0.69 -3.07 0.65 8.25 -1.26 -4.83 115.22 112.03 3it8 n HIS 58 Ca 0.18 -0.34 -0.40 0.00 -0.26 0.00 0.00 57.72 56.90 3it8 n HIS 58 Cb 1.15 0.00 -0.05 0.00 1.12 0.00 0.00 29.99 32.21 3it8 n HIS 58 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 3it8 s THR 59 N -1.31 5.02 0.25 1.59 2.01 -0.24 -4.69 115.64 118.27 3it8 s THR 59 Ca 0.42 1.34 -0.28 0.00 0.31 0.00 0.00 61.69 63.48 3it8 s THR 59 Cb 0.23 -4.00 -0.15 0.00 0.01 0.00 0.00 72.50 68.59 3it8 s THR 59 CO 0.31 0.16 0.85 -2.65 -0.69 0.00 0.00 174.62 172.61 3it8 n PRO 60 N 4.51 0.88 -1.97 4.92 -0.02 -1.26 -4.97 135.00 137.08 3it8 n PRO 60 Ca -0.01 0.31 -0.25 0.00 -2.02 0.00 0.00 63.50 61.53 3it8 n PRO 60 Cb 0.50 -1.56 0.16 0.00 -0.02 0.00 0.00 33.50 32.58 3it8 n PRO 60 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3it8 n GLY 61 N 1.52 -0.79 3.48 -1.23 0.00 -1.26 -2.90 105.19 104.00 3it8 n GLY 61 Ca 0.13 -1.81 -0.19 0.00 0.00 0.00 0.00 46.02 44.15 3it8 n GLY 61 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3it8 n ASN 62 N -3.51 -3.19 -3.78 1.61 4.13 -1.26 -1.00 115.26 108.26 3it8 n ASN 62 Ca 0.15 -0.60 -0.34 0.00 1.68 0.00 0.00 54.58 55.47 3it8 n ASN 62 Cb 0.54 -5.09 0.03 0.00 -1.54 0.00 0.00 39.78 33.72 3it8 n ASN 62 CO 0.00 0.00 0.00 0.47 0.28 0.00 0.00 177.26 178.01 3it8 n ASP 63 N -3.10 -5.07 -3.06 6.41 8.00 -1.26 -1.21 116.55 117.26 3it8 n ASP 63 Ca -0.21 -1.05 -0.22 0.00 0.71 0.00 0.00 54.79 54.02 3it8 n ASP 63 Cb 0.64 -2.77 0.02 0.00 -0.02 0.00 0.00 41.12 38.99 3it8 n ASP 63 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 3it8 n TYR 64 N -4.14 -1.83 -3.41 1.24 4.02 -1.01 -1.25 117.16 110.78 3it8 n TYR 64 Ca -0.12 0.44 -0.24 0.00 -0.01 0.00 0.00 57.90 57.97 3it8 n TYR 64 Cb 0.59 -3.85 0.00 0.00 -0.02 0.00 0.00 39.34 36.06 3it8 n TYR 64 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 176.86 175.94 3it8 n ASN 65 N -2.37 -4.07 0.09 7.72 5.03 -0.17 -4.88 115.26 116.61 3it8 n ASN 65 Ca -0.09 -0.44 -0.12 0.00 0.87 0.00 0.00 54.58 54.80 3it8 n ASN 65 Cb 0.60 -3.34 -0.06 0.00 -1.02 0.00 0.00 39.78 35.96 3it8 n ASN 65 CO 0.00 0.00 0.00 0.15 -1.83 0.00 0.00 177.26 175.58 3it8 h PHE 66 N -1.14 -0.30 -0.77 3.10 3.57 -1.07 -1.78 116.94 118.55 3it8 h PHE 66 Ca -0.46 0.00 0.08 0.00 3.53 0.00 0.00 57.97 61.12 3it8 h PHE 66 Cb 1.31 0.12 -0.07 0.00 2.79 0.00 0.00 35.95 40.10 3it8 h PHE 66 CO 0.64 -0.18 0.44 -0.91 -2.23 0.00 0.00 178.31 176.07 3it8 h ASN 67 N -0.24 0.64 0.35 0.41 2.35 -1.84 0.31 115.58 117.55 3it8 h ASN 67 Ca 0.02 0.04 -0.01 0.00 -0.55 0.00 0.00 56.30 55.80 3it8 h ASN 67 Cb 0.25 -0.08 -0.01 0.00 0.05 0.00 0.00 38.32 38.52 3it8 h ASN 67 CO -0.06 0.38 -0.27 0.15 -1.65 0.00 0.00 177.43 175.99 3it8 h PHE 68 N 0.76 -0.71 -0.23 1.19 3.57 -1.86 -2.11 116.94 117.55 3it8 h PHE 68 Ca 0.36 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.84 3it8 h PHE 68 Cb 0.29 0.27 -0.01 0.00 2.79 0.00 0.00 35.95 39.28 3it8 h PHE 68 CO -0.07 -0.40 0.06 -1.49 -2.23 0.00 0.00 178.31 174.18 3it8 h TRP 69 N -0.62 0.39 -0.25 0.41 4.06 -0.83 -1.56 115.95 117.55 3it8 h TRP 69 Ca -0.03 -0.05 0.06 0.00 2.06 0.00 0.00 58.89 60.94 3it8 h TRP 69 Cb 0.54 -0.11 -0.07 0.00 -1.00 0.00 0.00 29.16 28.52 3it8 h TRP 69 CO -0.14 0.47 -0.26 -0.92 -3.56 0.00 0.00 178.44 174.03 3it8 h TYR 70 N 0.20 -0.70 0.03 0.49 3.20 -0.37 0.43 116.97 120.25 3it8 h TYR 70 Ca 0.07 0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.99 3it8 h TYR 70 Cb 0.27 0.35 -0.00 0.00 1.54 0.00 0.00 36.73 38.89 3it8 h TYR 70 CO 0.01 -0.34 -0.03 1.03 -1.64 0.00 0.00 178.16 177.20 3it8 h SER 71 N -0.27 -0.07 0.23 -2.11 0.87 -1.32 0.11 113.55 111.00 3it8 h SER 71 Ca 0.14 0.01 -0.08 0.00 -1.23 0.00 0.00 61.79 60.63 3it8 h SER 71 Cb 0.48 0.02 -0.01 0.00 -0.44 0.00 0.00 62.40 62.45 3it8 h SER 71 CO -0.40 -0.04 -0.31 0.25 -0.53 0.00 0.00 176.83 175.80 3it8 h LEU 72 N -0.06 0.13 -0.15 2.23 5.85 -0.89 -1.15 115.31 121.27 3it8 h LEU 72 Ca 0.00 -0.04 -0.23 0.00 0.84 0.00 0.00 57.88 58.45 3it8 h LEU 72 Cb 0.06 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.05 3it8 h LEU 72 CO -0.01 0.44 -0.97 0.24 -0.34 0.00 0.00 178.44 177.80 3it8 h MET 73 N 0.12 0.36 -0.39 1.25 2.86 0.09 -1.78 114.93 117.44 3it8 h MET 73 Ca 0.02 -0.41 -0.01 0.00 -2.06 0.00 0.00 59.70 57.24 3it8 h MET 73 Cb 0.61 0.12 -0.02 0.00 0.06 0.00 0.00 31.60 32.37 3it8 h MET 73 CO 0.04 1.10 0.22 -0.22 1.06 0.00 0.00 176.91 179.11 3it8 h LYS 74 N 0.19 0.54 -0.37 1.72 3.64 -0.38 0.15 116.57 122.07 3it8 h LYS 74 Ca -0.08 -0.06 0.02 0.00 -1.27 0.00 0.00 60.65 59.26 3it8 h LYS 74 Cb 1.62 -0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 33.30 3it8 h LYS 74 CO 0.16 0.43 0.19 1.49 -2.27 0.00 0.00 179.45 179.46 3it8 h GLU 75 N 0.50 0.39 -0.83 1.90 4.81 -1.13 -1.73 114.58 118.49 3it8 h GLU 75 Ca 0.14 -0.02 -0.04 0.00 -0.13 0.00 0.00 59.36 59.31 3it8 h GLU 75 Cb 0.05 -0.09 -0.04 0.00 0.63 0.00 0.00 28.75 29.30 3it8 h GLU 75 CO -0.02 0.26 0.38 1.15 -0.73 0.00 0.00 179.01 180.04 3it8 h THR 76 N 0.40 1.26 -0.62 0.32 2.02 -0.87 -2.25 112.91 113.17 3it8 h THR 76 Ca 0.15 -0.77 -0.08 0.00 0.77 0.00 0.00 66.41 66.49 3it8 h THR 76 Cb 0.04 0.22 -0.02 0.00 -1.74 0.00 0.00 68.15 66.65 3it8 h THR 76 CO -0.10 0.32 0.09 0.25 0.37 0.00 0.00 175.52 176.45 3it8 h LEU 77 N 1.20 1.00 -0.25 2.58 5.85 -0.33 -1.34 115.31 124.03 3it8 h LEU 77 Ca 0.28 -0.27 0.00 0.00 0.84 0.00 0.00 57.88 58.74 3it8 h LEU 77 Cb 0.16 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 40.91 3it8 h LEU 77 CO -0.03 1.02 0.16 -0.33 -0.34 0.00 0.00 178.44 178.91 3it8 h GLU 78 N 0.95 0.33 -0.55 1.25 5.08 -0.98 -1.44 114.58 119.23 3it8 h GLU 78 Ca 0.19 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.51 3it8 h GLU 78 Cb 0.45 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.61 3it8 h GLU 78 CO 0.02 0.24 0.30 0.93 -1.00 0.00 0.00 179.01 179.50 3it8 h GLU 79 N 0.32 0.77 -0.52 2.33 4.39 -1.30 -2.29 114.58 118.28 3it8 h GLU 79 Ca 0.09 -0.09 0.03 0.00 0.34 0.00 0.00 59.36 59.73 3it8 h GLU 79 Cb -0.01 -0.15 -0.03 0.00 -0.10 0.00 0.00 28.75 28.46 3it8 h GLU 79 CO -0.02 0.59 0.35 0.82 -1.16 0.00 0.00 179.01 179.59 3it8 h ILE 80 N 0.74 1.08 0.00 3.13 2.04 -0.93 -2.05 117.51 121.51 3it8 h ILE 80 Ca 0.19 -0.21 0.00 0.00 1.00 0.00 0.00 64.86 65.84 3it8 h ILE 80 Cb 0.04 0.40 0.00 0.00 -0.74 0.00 0.00 36.82 36.52 3it8 h ILE 80 CO -0.03 0.11 0.00 0.59 0.00 0.00 0.00 178.15 178.82 3it8 n ASN 81 N -4.47 0.00 -0.08 1.72 3.02 -0.57 -3.76 115.26 111.12 3it8 n ASN 81 Ca 0.06 0.37 -0.12 0.00 -0.03 0.00 0.00 54.58 54.85 3it8 n ASN 81 Cb 0.12 -0.45 -0.05 0.00 -0.61 0.00 0.00 39.78 38.79 3it8 n ASN 81 CO 0.00 0.00 0.00 0.11 -2.62 0.00 0.00 177.26 174.75 3it8 h LYS 82 N 0.00 0.50 -6.37 3.52 1.57 -1.22 -3.37 116.57 111.21 3it8 h LYS 82 Ca 0.00 -0.22 -0.54 0.00 -1.87 0.00 0.00 60.65 58.02 3it8 h LYS 82 Cb 0.42 -0.01 -0.07 0.00 0.08 0.00 0.00 32.23 32.65 3it8 h LYS 82 CO 0.00 0.77 1.08 1.21 -0.57 0.00 0.00 179.45 181.94 3it8 s ASN 83 N -6.18 6.11 0.00 0.86 3.84 -1.25 -4.84 114.94 113.49 3it8 s ASN 83 Ca -0.13 -0.16 0.00 0.00 0.21 0.00 0.00 52.86 52.77 3it8 s ASN 83 Cb 0.07 -2.55 0.00 0.00 -0.55 0.00 0.00 41.25 38.22 3it8 s ASN 83 CO 0.77 -1.81 0.66 -0.67 -2.79 0.00 0.00 177.10 173.25 3it8 n ASP 84 N 9.59 0.00 -0.72 -4.21 -0.08 -1.26 -0.57 116.55 119.30 3it8 n ASP 84 Ca 0.07 0.21 0.11 0.00 -1.51 0.00 0.00 54.79 53.68 3it8 n ASP 84 Cb 0.49 -0.21 0.33 0.00 2.34 0.00 0.00 41.12 44.07 3it8 n ASP 84 CO 0.00 0.00 0.00 -1.54 0.12 0.00 0.00 177.20 175.78 3it8 n SER 85 N -1.16 2.18 0.00 1.67 3.41 -1.26 -4.04 113.62 114.42 3it8 n SER 85 Ca 0.00 -1.78 0.00 0.00 -0.26 0.00 0.00 58.87 56.83 3it8 n SER 85 Cb 0.09 -0.12 0.00 0.00 -0.26 0.00 0.00 64.21 63.91 3it8 n SER 85 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 3it8 n THR 86 N 0.66 0.00 -0.18 6.66 -1.04 0.26 -5.08 114.28 115.56 3it8 n THR 86 Ca 0.17 0.00 -0.07 0.00 -2.04 0.00 0.00 64.05 62.11 3it8 n THR 86 Cb 0.42 -0.28 -0.01 0.00 -1.82 0.00 0.00 70.33 68.64 3it8 n THR 86 CO 0.00 0.00 0.00 1.17 -0.64 0.00 0.00 175.07 175.60 3it8 n LYS 87 N -1.52 0.00 -4.15 -2.82 4.81 -1.18 -4.86 118.16 108.44 3it8 n LYS 87 Ca 0.00 0.00 -0.12 0.00 -0.87 0.00 0.00 58.31 57.32 3it8 n LYS 87 Cb 0.23 -0.16 -0.10 0.00 0.02 0.00 0.00 35.03 35.02 3it8 n LYS 87 CO 0.00 0.00 0.00 0.99 1.17 0.00 0.00 177.40 179.56 3it8 s THR 88 N 0.22 0.74 0.07 3.15 2.01 -1.26 -5.02 115.64 115.54 3it8 s THR 88 Ca 0.11 -1.68 -0.16 0.00 0.31 0.00 0.00 61.69 60.26 3it8 s THR 88 Cb -0.15 -1.38 -0.15 0.00 0.01 0.00 0.00 72.50 70.83 3it8 s THR 88 CO 0.08 -0.69 1.30 0.74 -0.69 0.00 0.00 174.62 175.37 3it8 h THR 89 N 3.43 1.34 -3.94 -0.82 2.02 -1.96 -3.46 112.91 109.52 3it8 h THR 89 Ca -0.36 -1.70 -0.14 0.00 0.77 0.00 0.00 66.41 64.99 3it8 h THR 89 Cb 1.18 1.96 -0.10 0.00 -1.74 0.00 0.00 68.15 69.45 3it8 h THR 89 CO 0.57 0.52 -0.24 -0.94 0.37 0.00 0.00 175.52 175.80 3it8 s SER 90 N -6.65 0.15 -0.01 4.18 1.04 -1.26 -0.10 113.70 111.05 3it8 s SER 90 Ca -0.12 -1.14 0.02 0.00 0.48 0.00 0.00 55.95 55.18 3it8 s SER 90 Cb 0.07 0.56 -0.00 0.00 0.10 0.00 0.00 66.02 66.74 3it8 s SER 90 CO 0.83 -1.11 -0.05 -0.22 0.98 0.00 0.00 173.24 173.67 3it8 s LEU 91 N -3.09 1.97 -0.00 2.42 2.96 -0.47 -2.96 118.68 119.51 3it8 s LEU 91 Ca 0.28 -0.09 0.03 0.00 -0.22 0.00 0.00 54.13 54.12 3it8 s LEU 91 Cb 0.01 -0.27 -0.01 0.00 0.50 0.00 0.00 46.19 46.42 3it8 s LEU 91 CO 0.12 0.06 -0.10 -0.44 -1.32 0.00 0.00 176.35 174.67 3it8 s SER 92 N -0.07 1.16 -0.38 3.68 0.01 -0.26 -1.71 113.70 116.13 3it8 s SER 92 Ca 0.01 -0.20 -0.05 0.00 1.31 0.00 0.00 55.95 57.02 3it8 s SER 92 Cb -0.03 -0.12 0.07 0.00 0.21 0.00 0.00 66.02 66.15 3it8 s SER 92 CO -0.00 0.11 0.17 -0.22 0.41 0.00 0.00 173.24 173.70 3it8 s LEU 93 N -0.29 4.79 -0.29 2.44 2.96 0.43 -1.44 118.68 127.28 3it8 s LEU 93 Ca 0.03 -1.54 -0.10 0.00 -0.22 0.00 0.00 54.13 52.30 3it8 s LEU 93 Cb -0.04 -1.87 -0.03 0.00 0.50 0.00 0.00 46.19 44.75 3it8 s LEU 93 CO -0.00 -0.45 0.16 -0.63 -1.32 0.00 0.00 176.35 174.11 3it8 s ILE 94 N 1.31 4.96 -0.00 6.68 -1.09 0.13 -1.99 121.20 131.20 3it8 s ILE 94 Ca 0.02 -0.05 -0.08 0.00 -2.23 0.00 0.00 60.65 58.32 3it8 s ILE 94 Cb -0.22 -3.40 0.00 0.00 -1.58 0.00 0.00 42.46 37.26 3it8 s ILE 94 CO -0.00 0.21 0.15 0.28 -1.23 0.00 0.00 174.94 174.35 3it8 s THR 95 N 1.70 0.08 -3.59 2.92 -1.32 -0.72 -0.43 115.64 114.27 3it8 s THR 95 Ca 0.06 -0.62 0.00 0.00 -1.21 0.00 0.00 61.69 59.92 3it8 s THR 95 Cb -0.16 -0.43 0.00 0.00 -1.51 0.00 0.00 72.50 70.40 3it8 s THR 95 CO 0.08 -0.34 0.00 0.61 -2.21 0.00 0.00 174.62 172.76 3it8 n GLY 96 N 1.57 -1.46 3.46 6.08 0.00 -0.74 0.14 105.19 114.23 3it8 n GLY 96 Ca -0.22 -1.12 -0.15 0.00 0.00 0.00 0.00 46.02 44.53 3it8 n GLY 96 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3it8 s TYR 98 N -3.18 -0.46 -0.46 0.00 -0.85 -0.46 -1.81 117.35 110.14 3it8 s TYR 98 Ca 0.31 0.57 0.04 0.00 -0.52 0.00 0.00 57.07 57.48 3it8 s TYR 98 Cb 0.00 0.36 0.17 0.00 0.38 0.00 0.00 41.96 42.87 3it8 s TYR 98 CO 0.20 -0.64 0.37 0.39 -1.52 0.00 0.00 175.55 174.35 3it8 n GLU 99 N 0.48 0.48 -3.13 -3.49 1.02 -0.69 -2.12 120.64 113.19 3it8 n GLU 99 Ca -0.18 -3.41 -0.45 0.00 -0.02 0.00 0.00 57.16 53.10 3it8 n GLU 99 Cb 0.60 -1.78 -0.03 0.00 -0.02 0.00 0.00 31.44 30.21 3it8 n GLU 99 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 3it8 s THR 100 N -0.22 5.01 0.00 2.62 2.01 -0.61 -1.13 115.64 123.31 3it8 s THR 100 Ca 0.32 -1.50 0.00 0.00 0.31 0.00 0.00 61.69 60.81 3it8 s THR 100 Cb 0.03 -4.54 0.00 0.00 0.01 0.00 0.00 72.50 67.99 3it8 s THR 100 CO -0.19 -1.18 0.00 0.61 -0.69 0.00 0.00 174.62 173.17 3it8 n GLY 101 N 5.01 3.13 0.10 4.40 0.00 -1.23 -1.81 105.19 114.78 3it8 n GLY 101 Ca 0.03 -0.19 -0.04 0.00 0.00 0.00 0.00 46.02 45.83 3it8 n GLY 101 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3it8 h LEU 102 N 0.00 0.00-10.08 0.99 3.38 -1.76 -3.46 115.31 104.38 3it8 h LEU 102 Ca 0.00 0.00 -0.50 0.00 0.09 0.00 0.00 57.88 57.47 3it8 h LEU 102 Cb 0.00 0.00 0.07 0.00 0.09 0.00 0.00 40.66 40.82 3it8 h LEU 102 CO 0.00 0.79 0.43 -0.76 0.09 0.00 0.00 178.44 179.00 3it8 s LEU 103 N -7.19 3.78 -0.17 1.67 1.43 -0.75 -5.05 118.68 112.38 3it8 s LEU 103 Ca -0.00 2.18 -0.28 0.00 -1.03 0.00 0.00 54.13 55.00 3it8 s LEU 103 Cb 0.11 -4.55 0.08 0.00 0.03 0.00 0.00 46.19 41.86 3it8 s LEU 103 CO 0.79 -1.17 0.75 0.72 0.23 0.00 0.00 176.35 177.67 3it8 s PHE 104 N -1.76 -0.68 0.00 0.29 -0.12 -1.26 -1.57 117.98 112.88 3it8 s PHE 104 Ca 0.72 1.45 -0.25 0.00 -0.05 0.00 0.00 56.93 58.80 3it8 s PHE 104 Cb -0.24 0.35 0.08 0.00 -0.63 0.00 0.00 43.02 42.58 3it8 s PHE 104 CO 0.27 -0.46 1.11 0.41 -0.05 0.00 0.00 175.22 176.51 3it8 n GLY 105 N 1.79 0.31 3.14 1.99 0.00 -0.90 -5.00 105.19 106.52 3it8 n GLY 105 Ca -0.16 -1.04 -0.09 0.00 0.00 0.00 0.00 46.02 44.73 3it8 n GLY 105 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3it8 s SER 106 N -3.49 0.54 0.16 1.61 1.04 -1.26 -1.35 113.70 110.95 3it8 s SER 106 Ca 0.26 -1.12 -0.11 0.00 0.48 0.00 0.00 55.95 55.46 3it8 s SER 106 Cb -0.01 0.23 0.00 0.00 0.10 0.00 0.00 66.02 66.34 3it8 s SER 106 CO 0.00 -0.65 0.34 -0.72 0.98 0.00 0.00 173.24 173.19 3it8 s TYR 107 N -3.93 0.23 -0.30 5.02 -0.85 0.19 -4.98 117.35 112.74 3it8 s TYR 107 Ca 0.18 -0.60 -0.05 0.00 -0.52 0.00 0.00 57.07 56.07 3it8 s TYR 107 Cb 0.07 0.06 0.19 0.00 0.38 0.00 0.00 41.96 42.66 3it8 s TYR 107 CO -0.02 -0.75 0.83 0.20 -1.52 0.00 0.00 175.55 174.28 3it8 s GLY 108 N -2.93 -0.82 0.14 5.49 0.00 -1.25 -1.80 107.32 106.16 3it8 s GLY 108 Ca 0.14 2.05 -0.03 0.00 0.00 0.00 0.00 44.72 46.88 3it8 s GLY 108 CO -0.02 3.71 0.12 -2.52 0.00 0.00 0.00 173.10 174.39 3it8 s TYR 109 N 2.90 0.77 -0.16 1.90 -0.85 0.43 -0.57 117.35 121.78 3it8 s TYR 109 Ca 0.13 -1.13 0.00 0.00 -0.52 0.00 0.00 57.07 55.54 3it8 s TYR 109 Cb -0.10 -0.38 -0.00 0.00 0.38 0.00 0.00 41.96 41.85 3it8 s TYR 109 CO -0.19 -0.58 -0.15 0.08 -1.52 0.00 0.00 175.55 173.19 3it8 s VAL 110 N -4.04 2.68 0.27 -3.49 1.01 0.14 -0.69 120.40 116.28 3it8 s VAL 110 Ca 0.24 -0.76 0.12 0.00 0.00 0.00 0.00 61.98 61.57 3it8 s VAL 110 Cb 0.06 -2.14 -0.05 0.00 0.00 0.00 0.00 36.38 34.26 3it8 s VAL 110 CO 0.02 0.51 -0.20 -1.83 0.00 0.00 0.00 175.10 173.60 3it8 s GLU 111 N 0.85 1.68 0.37 2.72 -1.05 -0.52 -1.21 118.70 121.54 3it8 s GLU 111 Ca -0.04 -1.75 0.08 0.00 -0.15 0.00 0.00 54.97 53.11 3it8 s GLU 111 Cb -0.15 -1.78 -0.06 0.00 -0.44 0.00 0.00 34.13 31.69 3it8 s GLU 111 CO -0.01 0.34 0.03 0.99 0.95 0.00 0.00 175.26 177.55 3it8 s THR 112 N -2.45 2.35 0.60 1.83 2.01 -0.42 -1.11 115.64 118.45 3it8 s THR 112 Ca 0.29 -1.97 0.40 0.00 0.31 0.00 0.00 61.69 60.73 3it8 s THR 112 Cb -0.05 -2.86 0.42 0.00 0.01 0.00 0.00 72.50 70.02 3it8 s THR 112 CO 0.15 -0.12 2.31 0.00 -0.69 0.00 0.00 174.62 176.27 3it8 h ALA 113 N 1.76 1.12 0.00 7.40 0.00 -1.94 0.37 119.26 127.98 3it8 h ALA 113 Ca -0.43 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.47 3it8 h ALA 113 Cb 1.25 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.04 3it8 h ALA 113 CO 0.71 0.01 -0.34 0.09 0.00 0.00 0.00 179.25 179.72 3it8 n ASN 114 N -3.26 0.36 0.00 0.00 3.02 -1.26 -5.04 115.26 109.07 3it8 n ASN 114 Ca -0.03 0.02 0.00 0.00 -0.03 0.00 0.00 54.58 54.55 3it8 n ASN 114 Cb 0.10 -0.01 0.00 0.00 -0.61 0.00 0.00 39.78 39.26 3it8 n ASN 114 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3it8 n GLY 115 N 1.49 2.05 3.57 7.41 0.00 0.12 -5.09 105.19 114.74 3it8 n GLY 115 Ca 0.06 -2.01 -0.46 0.00 0.00 0.00 0.00 46.02 43.61 3it8 n GLY 115 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3it8 n PRO 116 N -1.56 1.16 0.00 1.61 -0.04 -1.26 -1.31 135.00 133.60 3it8 n PRO 116 Ca 0.00 0.41 0.00 0.00 -0.04 0.00 0.00 63.50 63.87 3it8 n PRO 116 Cb 0.00 -1.79 0.00 0.00 -0.04 0.00 0.00 33.50 31.67 3it8 n PRO 116 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 3it8 n LEU 117 N 1.59 0.00 -3.98 1.53 7.94 -0.35 -4.67 117.00 119.06 3it8 n LEU 117 Ca 0.12 0.00 -0.12 0.00 -1.11 0.00 0.00 56.01 54.90 3it8 n LEU 117 Cb 0.29 -0.13 -0.13 0.00 0.53 0.00 0.00 43.42 43.98 3it8 n LEU 117 CO 0.60 -0.35 -0.38 0.00 -1.11 0.00 0.00 177.39 176.15 3it8 s ALA 118 N -2.59 0.31 -0.10 1.96 0.00 -0.81 -2.07 121.76 118.46 3it8 s ALA 118 Ca 0.00 -0.44 -0.00 0.00 0.00 0.00 0.00 51.96 51.52 3it8 s ALA 118 Cb 0.00 0.03 -0.03 0.00 0.00 0.00 0.00 23.12 23.12 3it8 s ALA 118 CO 0.00 -0.02 -0.09 0.50 0.00 0.00 0.00 175.76 176.15 3it8 s ARG 119 N -0.88 3.07 -0.21 0.00 3.52 0.12 0.24 118.95 124.81 3it8 s ARG 119 Ca -0.07 -0.59 -0.19 0.00 -0.13 0.00 0.00 55.73 54.75 3it8 s ARG 119 Cb -0.06 -2.64 -0.03 0.00 -1.56 0.00 0.00 34.95 30.66 3it8 s ARG 119 CO -0.00 0.46 0.54 -0.47 -0.81 0.00 0.00 175.30 175.02 3it8 s TYR 120 N -0.27 3.35 -0.27 5.12 5.04 0.27 0.10 117.35 130.68 3it8 s TYR 120 Ca 0.03 0.77 -0.10 0.00 -2.44 0.00 0.00 57.07 55.34 3it8 s TYR 120 Cb -0.13 -2.71 -0.04 0.00 0.35 0.00 0.00 41.96 39.43 3it8 s TYR 120 CO 0.03 -0.15 0.16 -1.01 -1.34 0.00 0.00 175.55 173.23 3it8 s HIS 121 N 1.83 3.18 0.37 4.97 3.76 -0.65 -4.62 115.29 124.12 3it8 s HIS 121 Ca 0.24 -0.03 0.08 0.00 -0.15 0.00 0.00 55.06 55.20 3it8 s HIS 121 Cb -0.15 -2.34 0.79 0.00 1.11 0.00 0.00 32.58 31.99 3it8 s HIS 121 CO 0.10 -0.22 1.93 1.15 -0.85 0.00 0.00 174.74 176.85 3it8 h THR 122 N 5.42 0.95 0.39 1.30 2.02 -1.94 0.55 112.91 121.60 3it8 h THR 122 Ca -0.36 -0.24 -0.02 0.00 0.77 0.00 0.00 66.41 66.56 3it8 h THR 122 Cb 1.19 0.19 0.00 0.00 -1.74 0.00 0.00 68.15 67.79 3it8 h THR 122 CO 0.56 0.13 -0.19 1.23 0.37 0.00 0.00 175.52 177.62 3it8 h GLY 123 N 0.70 -0.54 2.00 2.16 0.00 -1.96 -3.29 103.07 102.14 3it8 h GLY 123 Ca 0.35 0.20 0.00 0.00 0.00 0.00 0.00 47.33 47.88 3it8 h GLY 123 CO -0.13 -0.20 0.00 -0.55 0.00 0.00 0.00 176.54 175.66 3it8 h ASP 124 N -0.77 0.00 -5.71 0.19 3.32 -1.99 -3.47 116.42 107.99 3it8 h ASP 124 Ca -0.05 0.00 -0.34 0.00 0.02 0.00 0.00 57.03 56.65 3it8 h ASP 124 Cb 0.40 0.00 0.15 0.00 0.22 0.00 0.00 39.33 40.10 3it8 h ASP 124 CO 0.09 0.00 -0.78 0.29 -1.72 0.00 0.00 179.24 177.12 3it8 n LYS 125 N -2.78 -6.41 -3.74 3.56 5.02 0.18 -5.00 118.16 108.99 3it8 n LYS 125 Ca 0.00 0.82 -0.05 0.00 -2.02 0.00 0.00 58.31 57.07 3it8 n LYS 125 Cb 0.23 -5.77 -0.02 0.00 -0.02 0.00 0.00 35.03 29.45 3it8 n LYS 125 CO 0.00 0.00 0.00 -0.98 -0.52 0.00 0.00 177.40 175.90 3it8 s ARG 126 N -5.46 1.27 0.35 1.97 1.70 -1.22 -5.02 118.95 112.54 3it8 s ARG 126 Ca 0.01 -0.68 -0.10 0.00 -0.47 0.00 0.00 55.73 54.49 3it8 s ARG 126 Cb -0.01 0.44 -0.07 0.00 -0.57 0.00 0.00 34.95 34.75 3it8 s ARG 126 CO 0.74 -0.58 0.70 -0.06 -1.08 0.00 0.00 175.30 175.02 3it8 s PHE 127 N -3.39 3.46 -0.01 5.89 0.40 -1.26 -1.64 117.98 121.42 3it8 s PHE 127 Ca 0.11 0.96 0.02 0.00 -0.60 0.00 0.00 56.93 57.42 3it8 s PHE 127 Cb -0.02 -2.36 -0.00 0.00 0.51 0.00 0.00 43.02 41.14 3it8 s PHE 127 CO 0.02 0.01 -0.06 0.99 0.70 0.00 0.00 175.22 176.88 3it8 s THR 128 N -2.21 0.48 0.35 0.64 2.01 0.12 -4.92 115.64 112.09 3it8 s THR 128 Ca 0.50 -0.23 -0.26 0.00 0.31 0.00 0.00 61.69 62.01 3it8 s THR 128 Cb -0.10 -0.42 -0.13 0.00 0.01 0.00 0.00 72.50 71.86 3it8 s THR 128 CO 0.28 0.15 0.89 2.29 -0.69 0.00 0.00 174.62 177.54 3it8 n LYS 129 N 3.10 1.11 0.00 4.92 2.85 -1.26 -0.71 118.16 128.17 3it8 n LYS 129 Ca -0.15 0.39 0.07 0.00 -1.05 0.00 0.00 58.31 57.57 3it8 n LYS 129 Cb 0.57 -1.78 -0.07 0.00 -0.65 0.00 0.00 35.03 33.09 3it8 n LYS 129 CO 0.00 0.00 0.00 -1.33 -0.05 0.00 0.00 177.40 176.02 3it8 n MET 130 N 0.54 2.42 -4.17 -1.58 2.81 -0.88 -4.72 117.12 111.54 3it8 n MET 130 Ca 0.10 -0.03 -0.12 0.00 -1.81 0.00 0.00 57.70 55.84 3it8 n MET 130 Cb 0.35 -1.15 -0.10 0.00 -0.71 0.00 0.00 33.22 31.61 3it8 n MET 130 CO 0.00 0.00 0.00 0.99 1.51 0.00 0.00 175.97 178.47 3it8 s THR 131 N -2.28 0.77 0.36 2.03 2.01 -1.26 -4.76 115.64 112.51 3it8 s THR 131 Ca 0.05 -1.84 0.05 0.00 0.31 0.00 0.00 61.69 60.27 3it8 s THR 131 Cb 0.10 -1.57 0.29 0.00 0.01 0.00 0.00 72.50 71.33 3it8 s THR 131 CO 0.56 -0.78 1.97 1.12 -0.69 0.00 0.00 174.62 176.80 3it8 h HIS 132 N 3.15 0.77 -1.09 4.92 2.07 -1.98 -2.57 115.15 120.42 3it8 h HIS 132 Ca -0.36 0.02 0.31 0.00 -2.85 0.00 0.00 60.37 57.49 3it8 h HIS 132 Cb 1.17 -0.26 -0.06 0.00 2.57 0.00 0.00 27.41 30.84 3it8 h HIS 132 CO 0.61 0.43 0.77 -0.22 -3.07 0.00 0.00 177.93 176.44 3it8 h LYS 133 N 0.78 0.09 0.00 5.12 1.63 -1.99 -3.48 116.57 118.72 3it8 h LYS 133 Ca 0.29 -0.01 0.00 0.00 -0.85 0.00 0.00 60.65 60.09 3it8 h LYS 133 Cb 0.18 -0.02 0.00 0.00 -0.60 0.00 0.00 32.23 31.79 3it8 h LYS 133 CO -0.09 0.06 0.00 0.41 -3.45 0.00 0.00 179.45 176.38 3it8 n GLY 134 N -1.69 -2.65 3.01 5.01 0.00 -0.97 -5.00 105.19 102.89 3it8 n GLY 134 Ca 0.24 -1.67 -0.12 0.00 0.00 0.00 0.00 46.02 44.47 3it8 n GLY 134 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3it8 s PHE 135 N -0.79 -0.08 0.06 1.61 -0.12 -1.26 -4.86 117.98 112.54 3it8 s PHE 135 Ca 0.00 0.21 -0.31 0.00 -0.05 0.00 0.00 56.93 56.78 3it8 s PHE 135 Cb 0.00 0.02 -0.08 0.00 -0.63 0.00 0.00 43.02 42.33 3it8 s PHE 135 CO 0.00 -0.10 1.67 -1.25 -0.05 0.00 0.00 175.22 175.49 3it8 s PRO 136 N -0.21 4.19 -1.32 1.99 0.04 -1.26 -4.91 135.00 133.53 3it8 s PRO 136 Ca -0.03 2.33 -0.17 0.00 0.04 0.00 0.00 61.00 63.18 3it8 s PRO 136 Cb -0.02 -3.65 0.07 0.00 0.04 0.00 0.00 34.50 30.94 3it8 s PRO 136 CO 0.00 -0.75 1.81 1.63 0.04 0.00 0.00 177.00 179.73 3it8 n LYS 137 N 5.79 3.15 -4.23 4.56 5.02 -1.26 -4.86 118.16 126.34 3it8 n LYS 137 Ca 0.16 -3.20 -0.13 0.00 -2.02 0.00 0.00 58.31 53.12 3it8 n LYS 137 Cb 0.41 -3.43 -0.10 0.00 -0.02 0.00 0.00 35.03 31.89 3it8 n LYS 137 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 3it8 s VAL 138 N 3.83 0.20 0.00 -0.18 -7.23 -1.26 -4.72 120.40 111.04 3it8 s VAL 138 Ca 0.52 -1.99 0.00 0.00 -1.81 0.00 0.00 61.98 58.70 3it8 s VAL 138 Cb 0.05 -2.45 0.00 0.00 0.56 0.00 0.00 36.38 34.54 3it8 s VAL 138 CO 0.04 -0.09 0.00 0.61 -0.31 0.00 0.00 175.10 175.35 3it8 n GLY 139 N -0.30 2.72 0.00 2.32 0.00 -1.26 -0.82 105.19 107.85 3it8 n GLY 139 Ca -0.00 -0.12 0.09 0.00 0.00 0.00 0.00 46.02 45.99 3it8 n GLY 139 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 3it8 n MET 140 N 14.00 0.55 0.00 1.61 -0.00 -1.26 -3.26 117.12 128.76 3it8 n MET 140 Ca 0.00 0.00 0.12 0.00 -0.00 0.00 0.00 57.70 57.82 3it8 n MET 140 Cb 0.00 -1.48 0.22 0.00 -0.00 0.00 0.00 33.22 31.96 3it8 n MET 140 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 175.97 177.25 3it8 n LEU 141 N -0.98 1.56 -4.29 3.17 4.77 -0.00 -4.95 117.00 116.27 3it8 n LEU 141 Ca 0.13 -0.51 -0.24 0.00 -0.03 0.00 0.00 56.01 55.35 3it8 n LEU 141 Cb 0.06 -0.06 -0.13 0.00 -2.33 0.00 0.00 43.42 40.96 3it8 n LEU 141 CO 0.10 0.29 -0.52 -0.89 -1.33 0.00 0.00 177.39 175.03 3it8 s THR 142 N -2.43 1.75 0.21 -5.08 2.01 -1.20 -4.68 115.64 106.22 3it8 s THR 142 Ca 0.23 -1.55 0.36 0.00 0.31 0.00 0.00 61.69 61.04 3it8 s THR 142 Cb 0.19 -1.59 0.40 0.00 0.01 0.00 0.00 72.50 71.51 3it8 s THR 142 CO 0.52 -0.04 2.06 0.58 -0.69 0.00 0.00 174.62 177.05 3it8 h VAL 143 N 4.07 0.00 -0.36 3.82 2.07 -1.92 -2.45 116.25 121.48 3it8 h VAL 143 Ca -0.46 -0.39 0.03 0.00 0.82 0.00 0.00 66.70 66.70 3it8 h VAL 143 Cb 1.18 1.38 -0.02 0.00 -1.52 0.00 0.00 31.29 32.31 3it8 h VAL 143 CO 0.40 0.00 0.24 0.11 0.02 0.00 0.00 177.57 178.33 3it8 h LYS 144 N 0.00 0.36 -6.82 1.57 1.79 -1.94 -3.44 116.57 108.09 3it8 h LYS 144 Ca 0.00 -0.02 -0.53 0.00 -2.18 0.00 0.00 60.65 57.91 3it8 h LYS 144 Cb 0.39 -0.08 0.09 0.00 -1.58 0.00 0.00 32.23 31.05 3it8 h LYS 144 CO 0.00 0.24 0.86 -1.71 -1.08 0.00 0.00 179.45 177.76 3it8 n ASN 145 N -4.49 3.86 0.30 0.86 2.85 -0.92 -4.90 115.26 112.82 3it8 n ASN 145 Ca 0.03 1.16 0.16 0.00 -0.11 0.00 0.00 54.58 55.82 3it8 n ASN 145 Cb 0.15 -1.60 0.92 0.00 1.24 0.00 0.00 39.78 40.49 3it8 n ASN 145 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 3it8 h THR 146 N 3.28 0.48 -0.41 -0.44 1.03 -1.90 -2.00 112.91 112.95 3it8 h THR 146 Ca -0.48 -0.07 0.00 0.00 -0.01 0.00 0.00 66.41 65.85 3it8 h THR 146 Cb 1.23 1.05 0.00 0.00 -1.07 0.00 0.00 68.15 69.35 3it8 h THR 146 CO 0.76 0.02 0.00 0.18 -0.01 0.00 0.00 175.52 176.47 3it8 n LEU 147 N -3.75 3.24 -0.31 0.00 4.77 -1.26 -4.51 117.00 115.18 3it8 n LEU 147 Ca -0.03 -1.43 0.14 0.00 -0.03 0.00 0.00 56.01 54.66 3it8 n LEU 147 Cb 0.10 -0.27 0.32 0.00 -2.33 0.00 0.00 43.42 41.25 3it8 n LEU 147 CO 0.27 0.72 1.04 -0.25 -1.33 0.00 0.00 177.39 177.84 3it8 h TRP 148 N 4.07 0.64 -0.79 -1.77 2.91 -1.65 0.26 115.95 119.62 3it8 h TRP 148 Ca 0.00 0.04 0.10 0.00 1.13 0.00 0.00 58.89 60.16 3it8 h TRP 148 Cb 0.90 -0.14 -0.05 0.00 -0.51 0.00 0.00 29.16 29.36 3it8 h TRP 148 CO 0.27 -0.08 0.52 0.87 -1.03 0.00 0.00 178.44 178.99 3it8 h LYS 149 N 0.37 0.70 -0.08 2.65 1.79 -1.83 0.41 116.57 120.58 3it8 h LYS 149 Ca 0.58 -0.04 -0.19 0.00 -2.18 0.00 0.00 60.65 58.82 3it8 h LYS 149 Cb 1.13 -0.16 -0.00 0.00 -1.58 0.00 0.00 32.23 31.62 3it8 h LYS 149 CO -0.55 0.46 -0.74 -0.44 -1.08 0.00 0.00 179.45 177.10 3it8 h ASP 150 N 0.72 0.52 0.18 0.86 3.32 -0.83 -2.35 116.42 118.84 3it8 h ASP 150 Ca 0.37 -0.34 -0.01 0.00 0.02 0.00 0.00 57.03 57.06 3it8 h ASP 150 Cb 0.46 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 39.86 3it8 h ASP 150 CO -0.14 1.09 -0.09 0.58 -1.72 0.00 0.00 179.24 178.96 3it8 h VAL 151 N 0.30 0.85 -0.56 -1.35 2.07 -0.50 0.22 116.25 117.28 3it8 h VAL 151 Ca -0.03 -0.14 0.11 0.00 0.82 0.00 0.00 66.70 67.46 3it8 h VAL 151 Cb 1.32 0.94 -0.09 0.00 -1.52 0.00 0.00 31.29 31.94 3it8 h VAL 151 CO 0.13 0.03 0.05 0.11 0.02 0.00 0.00 177.57 177.91 3it8 h LYS 152 N -0.31 0.16 0.09 1.57 1.57 -0.97 0.18 116.57 118.85 3it8 h LYS 152 Ca -0.02 -0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.74 3it8 h LYS 152 Cb 0.24 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.51 3it8 h LYS 152 CO 0.04 0.11 -0.04 0.00 -0.57 0.00 0.00 179.45 178.99 3it8 h ALA 153 N 1.48 -0.12 0.06 3.86 0.00 -1.11 -0.05 119.26 123.38 3it8 h ALA 153 Ca 0.29 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 3it8 h ALA 153 Cb 0.44 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.27 3it8 h ALA 153 CO -0.43 -0.39 -0.03 1.88 0.00 0.00 0.00 179.25 180.28 3it8 h TYR 154 N -0.47 -0.07 0.00 0.00 0.99 -0.35 -2.26 116.97 114.81 3it8 h TYR 154 Ca -0.01 -0.00 -0.02 0.00 2.00 0.00 0.00 58.73 60.69 3it8 h TYR 154 Cb 0.40 0.02 -0.00 0.00 1.00 0.00 0.00 36.73 38.15 3it8 h TYR 154 CO 0.04 0.45 -0.14 1.25 -0.00 0.00 0.00 178.16 179.76 3it8 h LEU 155 N -0.65 0.00 -0.41 3.88 5.85 -0.79 -3.08 115.31 120.11 3it8 h LEU 155 Ca -0.01 -0.75 0.01 0.00 0.84 0.00 0.00 57.88 57.98 3it8 h LEU 155 Cb 0.56 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.56 3it8 h LEU 155 CO 0.01 0.95 0.25 1.23 -0.34 0.00 0.00 178.44 180.55 3it8 h GLY 156 N -1.00 0.58 0.92 3.75 0.00 -0.86 -1.59 103.07 104.87 3it8 h GLY 156 Ca -0.04 -0.19 0.01 0.00 0.00 0.00 0.00 47.33 47.11 3it8 h GLY 156 CO -0.02 0.17 0.12 -1.33 0.00 0.00 0.00 176.54 175.48 3it8 h GLY 157 N 0.51 0.30 0.90 4.60 0.00 -0.72 0.31 103.07 108.96 3it8 h GLY 157 Ca 0.16 -0.09 0.02 0.00 0.00 0.00 0.00 47.33 47.43 3it8 h GLY 157 CO -0.06 0.08 0.36 -2.75 0.00 0.00 0.00 176.54 174.16 3it8 h PHE 158 N 0.25 0.68 -0.10 5.60 3.57 -1.43 -1.57 116.94 123.94 3it8 h PHE 158 Ca 0.09 0.02 -0.14 0.00 3.53 0.00 0.00 57.97 61.47 3it8 h PHE 158 Cb 0.01 -0.22 -0.01 0.00 2.79 0.00 0.00 35.95 38.52 3it8 h PHE 158 CO -0.09 0.40 -0.56 1.49 -2.23 0.00 0.00 178.31 177.32 3it8 h GLU 159 N 0.72 0.29 -0.21 1.11 4.81 -0.98 0.18 114.58 120.50 3it8 h GLU 159 Ca 0.23 -0.18 -0.15 0.00 -0.13 0.00 0.00 59.36 59.13 3it8 h GLU 159 Cb -0.00 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.39 3it8 h GLU 159 CO -0.09 0.77 -0.49 -0.92 -0.73 0.00 0.00 179.01 177.55 3it8 h TYR 160 N 0.22 0.68 0.00 0.92 3.20 0.21 -3.45 116.97 118.76 3it8 h TYR 160 Ca 0.00 -0.22 0.00 0.00 3.14 0.00 0.00 58.73 61.65 3it8 h TYR 160 Cb 1.05 -0.14 0.00 0.00 1.54 0.00 0.00 36.73 39.19 3it8 h TYR 160 CO 0.02 0.94 0.00 -0.12 -1.64 0.00 0.00 178.16 177.36 3it8 n MET 161 N -3.98 0.00 -0.24 1.82 0.00 -0.65 -4.98 117.12 109.09 3it8 n MET 161 Ca -0.03 0.00 -0.04 0.00 0.00 0.00 0.00 57.70 57.63 3it8 n MET 161 Cb 0.57 0.00 0.02 0.00 0.00 0.00 0.00 33.22 33.81 3it8 n MET 161 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 175.97 176.75 3it8 h GLY 162 N 0.00 -0.06 0.94 -5.12 0.00 -1.20 -2.10 103.07 95.53 3it8 h GLY 162 Ca 0.00 0.45 -0.00 0.00 0.00 0.00 0.00 47.33 47.77 3it8 h GLY 162 CO 0.00 -0.21 -0.10 0.00 0.00 0.00 0.00 176.54 176.23 3it8 h SER 164 N -0.26 0.00 0.13 0.00 4.64 -1.64 0.63 113.55 117.06 3it8 h SER 164 Ca -0.01 0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 61.12 3it8 h SER 164 Cb 0.22 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.32 3it8 h SER 164 CO 0.01 0.00 -0.83 -0.07 -0.87 0.00 0.00 176.83 175.07 3it8 h LEU 165 N 0.00 0.43 -0.30 5.97 3.38 -0.91 -3.37 115.31 120.51 3it8 h LEU 165 Ca 0.17 -0.94 -0.00 0.00 0.09 0.00 0.00 57.88 57.19 3it8 h LEU 165 Cb 0.77 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.37 3it8 h LEU 165 CO -0.00 1.40 0.18 0.00 0.09 0.00 0.00 178.44 180.11 3it8 h ALA 166 N 0.06 0.38 -1.23 1.53 0.00 0.15 -2.76 119.26 117.39 3it8 h ALA 166 Ca -0.15 -0.04 0.35 0.00 0.00 0.00 0.00 54.91 55.07 3it8 h ALA 166 Cb 1.62 -0.12 -0.06 0.00 0.00 0.00 0.00 17.79 19.22 3it8 h ALA 166 CO 0.13 -0.13 0.87 0.97 0.00 0.00 0.00 179.25 181.09 3it8 h ILE 167 N 0.39 0.38 -0.03 0.00 2.10 -1.08 0.57 117.51 119.83 3it8 h ILE 167 Ca 0.11 -0.03 -0.12 0.00 1.08 0.00 0.00 64.86 65.90 3it8 h ILE 167 Cb -0.00 0.29 -0.01 0.00 -1.09 0.00 0.00 36.82 36.00 3it8 h ILE 167 CO -0.02 0.02 -0.53 -0.07 -1.08 0.00 0.00 178.15 176.47 3it8 h LEU 168 N 0.08 0.08 -0.34 2.19 3.38 -1.65 -2.12 115.31 116.94 3it8 h LEU 168 Ca 0.62 -0.04 -0.19 0.00 0.09 0.00 0.00 57.88 58.36 3it8 h LEU 168 Cb 2.27 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 43.00 3it8 h LEU 168 CO -0.09 0.60 -0.67 0.44 0.09 0.00 0.00 178.44 178.80 3it8 h ASP 169 N 0.06 0.74 -0.17 -0.43 3.32 0.06 -2.63 116.42 117.36 3it8 h ASP 169 Ca -0.00 -0.45 -0.00 0.00 0.02 0.00 0.00 57.03 56.59 3it8 h ASP 169 Cb 0.95 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 40.28 3it8 h ASP 169 CO 0.07 1.21 0.09 1.88 -1.72 0.00 0.00 179.24 180.78 3it8 h TYR 170 N 0.46 0.24 -0.55 4.55 -1.99 -1.30 -2.51 116.97 115.87 3it8 h TYR 170 Ca -0.02 -0.01 0.10 0.00 2.00 0.00 0.00 58.73 60.80 3it8 h TYR 170 Cb 1.26 -0.08 -0.08 0.00 2.00 0.00 0.00 36.73 39.84 3it8 h TYR 170 CO 0.06 0.23 0.12 0.37 -0.00 0.00 0.00 178.16 178.95 3it8 h GLN 171 N 0.17 0.26 -0.06 4.88 4.15 -1.34 0.11 115.11 123.28 3it8 h GLN 171 Ca 0.06 -0.02 0.03 0.00 0.77 0.00 0.00 58.65 59.49 3it8 h GLN 171 Cb 0.08 -0.06 -0.03 0.00 0.21 0.00 0.00 27.48 27.68 3it8 h GLN 171 CO -0.01 0.17 -0.11 0.87 -1.93 0.00 0.00 178.83 177.82 3it8 h LYS 172 N 0.26 -0.15 0.00 1.69 1.57 -1.20 -1.00 116.57 117.74 3it8 h LYS 172 Ca 0.28 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 59.07 3it8 h LYS 172 Cb 0.39 0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.74 3it8 h LYS 172 CO -0.36 -0.10 0.00 -1.33 -0.57 0.00 0.00 179.45 177.09 3it8 n MET 173 N -5.24 0.16 0.01 3.15 2.81 -0.86 -3.12 117.12 114.03 3it8 n MET 173 Ca -0.05 0.30 0.01 0.00 -1.81 0.00 0.00 57.70 56.16 3it8 n MET 173 Cb 0.16 -1.76 -0.11 0.00 -0.71 0.00 0.00 33.22 30.81 3it8 n MET 173 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3it8 n ALA 174 N -1.71 2.08 -0.00 3.04 0.00 0.33 -4.66 120.51 119.59 3it8 n ALA 174 Ca 0.04 -0.65 -0.00 0.00 0.00 0.00 0.00 53.44 52.82 3it8 n ALA 174 Cb 0.29 -0.79 -0.00 0.00 0.00 0.00 0.00 19.45 18.95 3it8 n ALA 174 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 3it8 n LYS 175 N -2.72 -0.00 0.11 0.00 4.81 -0.43 -0.64 118.16 119.29 3it8 n LYS 175 Ca -0.12 0.02 0.06 0.00 -0.87 0.00 0.00 58.31 57.40 3it8 n LYS 175 Cb 0.82 -0.03 0.01 0.00 0.02 0.00 0.00 35.03 35.85 3it8 n LYS 175 CO 0.00 0.00 0.00 0.78 1.17 0.00 0.00 177.40 179.35 3it8 h GLY 176 N 0.00 0.00 -1.58 3.14 0.00 -1.85 -3.39 103.07 99.39 3it8 h GLY 176 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3it8 h GLY 176 CO -0.00 0.00 0.00 0.28 0.00 0.00 0.00 176.54 176.82 3it8 n LYS 177 N -2.95 2.14 -4.24 4.80 5.02 0.19 -4.93 118.16 118.19 3it8 n LYS 177 Ca -0.02 -1.14 -0.14 0.00 -2.02 0.00 0.00 58.31 55.00 3it8 n LYS 177 Cb 0.68 -1.55 -0.10 0.00 -0.02 0.00 0.00 35.03 34.05 3it8 n LYS 177 CO 0.00 0.00 0.00 0.96 -0.52 0.00 0.00 177.40 177.84 3it8 s ILE 178 N -1.65 0.13 0.19 -0.18 -4.36 -1.20 -5.07 121.20 109.06 3it8 s ILE 178 Ca 0.20 -2.00 -0.31 0.00 -0.26 0.00 0.00 60.65 58.28 3it8 s ILE 178 Cb 0.13 -2.53 -0.16 0.00 1.25 0.00 0.00 42.46 41.16 3it8 s ILE 178 CO 0.09 0.00 1.01 -2.65 0.24 0.00 0.00 174.94 173.63 3it8 n PRO 179 N -0.37 0.92 -1.78 0.37 -0.02 -1.26 -4.92 135.00 127.94 3it8 n PRO 179 Ca 0.02 0.33 -0.32 0.00 -2.02 0.00 0.00 63.50 61.51 3it8 n PRO 179 Cb 0.66 -1.71 0.04 0.00 -0.02 0.00 0.00 33.50 32.46 3it8 n PRO 179 CO 0.00 0.00 0.00 -1.59 1.98 0.00 0.00 175.50 175.89 3it8 s LYS 180 N -0.73 2.99 0.44 -0.52 -2.85 -1.26 -4.93 119.74 112.88 3it8 s LYS 180 Ca 0.70 1.18 -0.26 0.00 -1.00 0.00 0.00 55.97 56.59 3it8 s LYS 180 Cb -0.86 -1.99 -0.09 0.00 -2.06 0.00 0.00 37.83 32.83 3it8 s LYS 180 CO 0.55 -1.08 1.40 -0.51 0.10 0.00 0.00 175.35 175.81 3it8 s ASP 181 N -3.04 6.01 -0.06 0.03 1.11 -1.26 -4.71 116.67 114.74 3it8 s ASP 181 Ca 0.63 2.86 -0.02 0.00 0.18 0.00 0.00 52.55 56.20 3it8 s ASP 181 Cb -0.17 -2.65 0.03 0.00 1.07 0.00 0.00 42.92 41.20 3it8 s ASP 181 CO 0.44 -1.08 0.04 -0.89 1.18 0.00 0.00 175.17 174.86 3it8 s THR 182 N -1.21 0.07 0.12 -1.27 2.01 -1.26 -4.87 115.64 109.22 3it8 s THR 182 Ca 0.59 0.28 -0.30 0.00 0.31 0.00 0.00 61.69 62.58 3it8 s THR 182 Cb -0.43 -0.31 -0.07 0.00 0.01 0.00 0.00 72.50 71.70 3it8 s THR 182 CO 0.55 0.18 1.16 -0.89 -0.69 0.00 0.00 174.62 174.93 3it8 s THR 183 N 2.10 3.92 0.83 -0.82 2.01 -1.26 -1.42 115.64 120.99 3it8 s THR 183 Ca 0.05 1.50 -0.11 0.00 0.31 0.00 0.00 61.69 63.44 3it8 s THR 183 Cb -0.12 -3.96 0.12 0.00 0.01 0.00 0.00 72.50 68.55 3it8 s THR 183 CO -0.04 0.18 1.17 -2.16 -0.69 0.00 0.00 174.62 173.08 3it8 s PRO 184 N 0.36 1.55 -0.12 4.92 0.04 -1.25 -4.73 135.00 135.77 3it8 s PRO 184 Ca 0.54 -0.28 0.00 0.00 0.04 0.00 0.00 61.00 61.31 3it8 s PRO 184 Cb -0.30 -2.01 -0.02 0.00 0.04 0.00 0.00 34.50 32.22 3it8 s PRO 184 CO 0.32 -1.77 -0.13 0.99 0.04 0.00 0.00 177.00 176.45 3it8 s THR 185 N -3.56 3.06 0.09 1.26 2.01 -0.68 -4.87 115.64 112.95 3it8 s THR 185 Ca 0.66 -0.67 0.10 0.00 0.31 0.00 0.00 61.69 62.09 3it8 s THR 185 Cb -0.08 -2.27 -0.03 0.00 0.01 0.00 0.00 72.50 70.12 3it8 s THR 185 CO 0.49 0.53 -0.25 -0.69 -0.69 0.00 0.00 174.62 174.01 3it8 s VAL 186 N 0.18 2.09 -0.19 3.82 1.01 -1.26 0.25 120.40 126.31 3it8 s VAL 186 Ca -0.08 -1.54 -0.13 0.00 0.00 0.00 0.00 61.98 60.24 3it8 s VAL 186 Cb -0.15 -1.83 0.06 0.00 0.00 0.00 0.00 36.38 34.46 3it8 s VAL 186 CO 0.05 0.19 0.48 -0.54 0.00 0.00 0.00 175.10 175.28 3it8 s LYS 187 N -1.64 0.50 -0.19 2.72 1.02 -0.94 -5.01 119.74 116.19 3it8 s LYS 187 Ca 0.12 0.83 -0.04 0.00 0.02 0.00 0.00 55.97 56.90 3it8 s LYS 187 Cb -0.10 0.09 -0.02 0.00 -0.52 0.00 0.00 37.83 37.28 3it8 s LYS 187 CO 0.04 -0.13 -0.02 0.08 -0.92 0.00 0.00 175.35 174.39 3it8 s VAL 188 N 1.10 3.77 -0.02 3.17 1.01 -1.26 -1.26 120.40 126.92 3it8 s VAL 188 Ca -0.07 -0.38 0.03 0.00 0.00 0.00 0.00 61.98 61.57 3it8 s VAL 188 Cb -0.06 -2.69 -0.03 0.00 0.00 0.00 0.00 36.38 33.60 3it8 s VAL 188 CO -0.10 0.45 -0.10 -0.89 0.00 0.00 0.00 175.10 174.46 3it8 s THR 189 N 0.90 3.44 -0.93 3.92 2.01 0.15 -4.46 115.64 120.67 3it8 s THR 189 Ca 0.00 -0.76 -0.00 0.00 0.31 0.00 0.00 61.69 61.24 3it8 s THR 189 Cb -0.14 -2.44 0.31 0.00 0.01 0.00 0.00 72.50 70.23 3it8 s THR 189 CO 0.02 0.46 1.39 0.61 -0.69 0.00 0.00 174.62 176.41 3it8 n GLY 190 N 1.83 5.43 0.00 4.40 0.00 -1.26 -0.24 105.19 115.35 3it8 n GLY 190 Ca -0.16 -2.68 0.00 0.00 0.00 0.00 0.00 46.02 43.18 3it8 n GLY 190 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3it8 n ASN 191 N 0.67 -0.41 -3.15 1.61 3.02 -0.76 -3.48 115.26 112.77 3it8 n ASN 191 Ca 0.33 -0.28 0.04 0.00 -0.03 0.00 0.00 54.58 54.65 3it8 n ASN 191 Cb 0.33 0.00 -0.01 0.00 -0.61 0.00 0.00 39.78 39.49 3it8 n ASN 191 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 3it8 s GLU 192 N -1.44 0.52 0.00 3.52 2.02 -1.26 -2.38 118.70 119.68 3it8 s GLU 192 Ca 0.00 0.87 0.00 0.00 0.02 0.00 0.00 54.97 55.86 3it8 s GLU 192 Cb 0.00 0.47 0.00 0.00 0.10 0.00 0.00 34.13 34.70 3it8 s GLU 192 CO 0.00 -0.61 0.77 1.28 0.02 0.00 0.00 175.26 176.72 3it8 n LEU 193 N 5.43 2.14 0.00 1.80 4.77 -1.26 -4.90 117.00 124.98 3it8 n LEU 193 Ca -0.01 -1.00 0.00 0.00 -0.03 0.00 0.00 56.01 54.97 3it8 n LEU 193 Cb 0.52 -0.42 0.00 0.00 -2.33 0.00 0.00 43.42 41.19 3it8 n LEU 193 CO 0.00 0.39 0.00 -0.62 -1.33 0.00 0.00 177.39 175.83 3it8 n GLU 194 N 1.27 0.00 -0.29 3.23 1.02 -1.26 -4.04 120.64 120.57 3it8 n GLU 194 Ca 0.00 0.00 -0.04 0.00 -0.02 0.00 0.00 57.16 57.10 3it8 n GLU 194 Cb 0.25 0.00 0.07 0.00 -0.02 0.00 0.00 31.44 31.75 3it8 n GLU 194 CO 0.00 0.00 0.00 0.38 1.18 0.00 0.00 177.13 178.69 3it8 h ASP 195 N 0.00 0.91 -3.32 1.62 2.03 -2.04 -3.43 116.42 112.19 3it8 h ASP 195 Ca 0.00 -0.02 -0.48 0.00 -0.73 0.00 0.00 57.03 55.79 3it8 h ASP 195 Cb 0.00 -0.23 0.03 0.00 -0.83 0.00 0.00 39.33 38.30 3it8 h ASP 195 CO 0.00 0.66 0.03 -0.83 -1.03 0.00 0.00 179.24 178.06 3it8 s GLY 196 N -2.93 1.47 0.00 7.15 0.00 -1.26 -5.06 107.32 106.69 3it8 s GLY 196 Ca -0.13 -0.67 0.00 0.00 0.00 0.00 0.00 44.72 43.92 3it8 s GLY 196 CO 0.79 -0.52 0.45 1.16 0.00 0.00 0.00 173.10 174.98 3it8 n ASN 197 N -2.16 0.00 -4.38 1.64 6.94 -1.26 -4.54 115.26 111.50 3it8 n ASN 197 Ca -0.00 0.45 -0.25 0.00 -0.02 0.00 0.00 54.58 54.75 3it8 n ASN 197 Cb 0.56 0.00 -0.12 0.00 -2.36 0.00 0.00 39.78 37.86 3it8 n ASN 197 CO 0.00 0.00 0.00 -0.32 -1.03 0.00 0.00 177.26 175.91 3it8 s MET 198 N -0.89 1.40 -0.03 -3.83 -2.45 -1.26 -4.69 119.30 107.54 3it8 s MET 198 Ca 0.00 -1.45 0.01 0.00 -1.25 0.00 0.00 55.69 53.01 3it8 s MET 198 Cb 0.00 -1.63 0.01 0.00 1.25 0.00 0.00 34.83 34.46 3it8 s MET 198 CO 0.00 0.35 -0.05 -0.08 1.05 0.00 0.00 175.02 176.29 3it8 s THR 199 N -1.73 0.52 -0.10 10.11 -1.32 -1.00 -0.93 115.64 121.20 3it8 s THR 199 Ca 0.17 -0.17 -0.01 0.00 -1.21 0.00 0.00 61.69 60.47 3it8 s THR 199 Cb -0.07 -0.52 -0.03 0.00 -1.51 0.00 0.00 72.50 70.37 3it8 s THR 199 CO 0.08 0.20 -0.05 -0.76 -2.21 0.00 0.00 174.62 171.88 3it8 s LEU 200 N 0.57 3.27 -0.18 9.08 1.43 -0.29 -1.82 118.68 130.74 3it8 s LEU 200 Ca -0.07 -0.03 -0.00 0.00 -1.03 0.00 0.00 54.13 52.99 3it8 s LEU 200 Cb -0.11 -1.74 0.05 0.00 0.03 0.00 0.00 46.19 44.41 3it8 s LEU 200 CO 0.00 0.30 -0.05 -0.70 0.23 0.00 0.00 176.35 176.14 3it8 s GLU 201 N -0.43 1.41 -0.26 1.70 2.12 0.66 0.13 118.70 124.03 3it8 s GLU 201 Ca 0.07 -0.58 -0.14 0.00 0.36 0.00 0.00 54.97 54.68 3it8 s GLU 201 Cb -0.12 -2.10 -0.04 0.00 0.26 0.00 0.00 34.13 32.13 3it8 s GLU 201 CO 0.02 -0.47 0.32 0.00 -0.54 0.00 0.00 175.26 174.59 3it8 s THR 203 N 1.83 1.82 -0.23 0.00 -4.23 -0.39 -0.04 115.64 114.40 3it8 s THR 203 Ca 0.13 -0.84 -0.06 0.00 -1.18 0.00 0.00 61.69 59.74 3it8 s THR 203 Cb -0.16 -1.62 -0.02 0.00 1.34 0.00 0.00 72.50 72.04 3it8 s THR 203 CO 0.09 0.50 0.02 -0.69 -0.54 0.00 0.00 174.62 174.01 3it8 s VAL 204 N 0.85 3.96 -0.19 2.29 1.01 -0.11 -2.20 120.40 126.00 3it8 s VAL 204 Ca -0.08 -0.29 -0.07 0.00 0.00 0.00 0.00 61.98 61.54 3it8 s VAL 204 Cb -0.15 -2.83 -0.04 0.00 0.00 0.00 0.00 36.38 33.36 3it8 s VAL 204 CO -0.01 0.38 0.06 0.20 0.00 0.00 0.00 175.10 175.73 3it8 s ASN 205 N 1.46 5.49 -0.01 3.32 0.01 0.14 -0.78 114.94 124.57 3it8 s ASN 205 Ca 0.05 0.02 -0.01 0.00 -0.71 0.00 0.00 52.86 52.21 3it8 s ASN 205 Cb -0.15 -1.95 0.00 0.00 0.41 0.00 0.00 41.25 39.57 3it8 s ASN 205 CO 0.01 0.14 0.02 -1.54 -1.51 0.00 0.00 177.10 174.22 3it8 n SER 206 N 3.76 -5.28 -4.30 -1.22 3.41 -0.61 -1.68 113.62 107.71 3it8 n SER 206 Ca -0.16 0.31 -0.28 0.00 -0.26 0.00 0.00 58.87 58.47 3it8 n SER 206 Cb 0.52 -1.27 -0.14 0.00 -0.26 0.00 0.00 64.21 63.06 3it8 n SER 206 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 175.04 175.60 3it8 s PHE 207 N -0.82 2.08 0.00 7.33 -0.12 0.41 -3.96 117.98 122.90 3it8 s PHE 207 Ca 0.01 -0.39 0.00 0.00 -0.05 0.00 0.00 56.93 56.50 3it8 s PHE 207 Cb -0.00 -1.25 0.00 0.00 -0.63 0.00 0.00 43.02 41.14 3it8 s PHE 207 CO 0.03 0.11 0.03 0.98 -0.05 0.00 0.00 175.22 176.32 3it8 n TYR 208 N 1.81 0.00 -1.44 3.49 9.36 -0.51 -1.30 117.16 128.58 3it8 n TYR 208 Ca -0.17 0.00 -0.59 0.00 3.32 0.00 0.00 57.90 60.46 3it8 n TYR 208 Cb 0.53 0.00 -0.10 0.00 -0.63 0.00 0.00 39.34 39.14 3it8 n TYR 208 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 3it8 n PRO 209 N -0.35 0.38 0.20 2.98 -0.04 -1.26 -4.58 135.00 132.33 3it8 n PRO 209 Ca 0.00 0.12 0.11 0.00 -0.04 0.00 0.00 63.50 63.69 3it8 n PRO 209 Cb 0.00 -1.79 0.60 0.00 -0.04 0.00 0.00 33.50 32.27 3it8 n PRO 209 CO 0.00 0.00 0.00 -1.00 -0.04 0.00 0.00 175.50 174.46 3it8 h PRO 210 N 8.84 0.00 -6.22 0.54 0.13 -1.94 -3.43 132.00 129.91 3it8 h PRO 210 Ca -0.24 0.00 -0.56 0.00 -0.87 0.00 0.00 66.00 64.33 3it8 h PRO 210 Cb 1.38 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.47 3it8 h PRO 210 CO 1.04 0.00 0.69 0.16 -0.23 0.00 0.00 178.00 179.66 3it8 s ASP 211 N -3.97 7.13 -0.05 1.44 -4.77 -1.26 -5.01 116.67 110.18 3it8 s ASP 211 Ca -0.02 1.59 -0.05 0.00 -3.30 0.00 0.00 52.55 50.76 3it8 s ASP 211 Cb 0.06 -2.55 0.01 0.00 -1.09 0.00 0.00 42.92 39.35 3it8 s ASP 211 CO 0.20 -0.56 0.14 -0.69 0.70 0.00 0.00 175.17 174.96 3it8 s VAL 212 N 2.47 0.01 0.03 2.11 1.01 -1.26 -4.68 120.40 120.08 3it8 s VAL 212 Ca 0.50 -0.07 0.04 0.00 0.00 0.00 0.00 61.98 62.45 3it8 s VAL 212 Cb -0.20 -0.23 -0.02 0.00 0.00 0.00 0.00 36.38 35.93 3it8 s VAL 212 CO 0.16 -0.04 -0.12 -0.63 0.00 0.00 0.00 175.10 174.47 3it8 s ILE 213 N -0.07 0.91 -0.03 2.22 1.01 -0.88 -5.01 121.20 119.35 3it8 s ILE 213 Ca -0.02 -0.83 0.05 0.00 0.00 0.00 0.00 60.65 59.85 3it8 s ILE 213 Cb -0.02 -0.83 -0.01 0.00 0.01 0.00 0.00 42.46 41.62 3it8 s ILE 213 CO 0.00 0.01 -0.16 0.28 0.00 0.00 0.00 174.94 175.06 3it8 s THR 214 N -0.74 1.34 -0.08 2.92 -1.32 -1.26 -0.20 115.64 116.30 3it8 s THR 214 Ca 0.00 -0.69 0.03 0.00 -1.21 0.00 0.00 61.69 59.82 3it8 s THR 214 Cb -0.07 -1.14 0.01 0.00 -1.51 0.00 0.00 72.50 69.79 3it8 s THR 214 CO 0.01 0.39 -0.17 -0.54 -2.21 0.00 0.00 174.62 172.09 3it8 s LYS 215 N -0.15 2.21 -0.31 7.08 1.02 0.07 -4.99 119.74 124.67 3it8 s LYS 215 Ca 0.01 -0.59 -0.11 0.00 0.02 0.00 0.00 55.97 55.30 3it8 s LYS 215 Cb -0.09 -1.74 -0.02 0.00 -0.52 0.00 0.00 37.83 35.46 3it8 s LYS 215 CO 0.01 0.09 0.20 -1.58 -0.92 0.00 0.00 175.35 173.14 3it8 s TRP 216 N 0.54 3.20 -0.05 3.18 0.52 -1.26 -0.47 118.94 124.60 3it8 s TRP 216 Ca -0.16 -0.25 0.04 0.00 0.02 0.00 0.00 56.10 55.75 3it8 s TRP 216 Cb -0.17 -2.41 0.00 0.00 -1.15 0.00 0.00 33.47 29.75 3it8 s TRP 216 CO 0.06 -0.34 -0.16 0.42 0.02 0.00 0.00 176.95 176.95 3it8 s ILE 217 N 1.70 1.36 0.23 2.03 1.01 -0.94 -3.76 121.20 122.83 3it8 s ILE 217 Ca 0.06 -0.66 -0.32 0.00 0.00 0.00 0.00 60.65 59.73 3it8 s ILE 217 Cb -0.17 -1.19 -0.12 0.00 0.01 0.00 0.00 42.46 40.99 3it8 s ILE 217 CO 0.09 0.40 1.66 -0.62 0.00 0.00 0.00 174.94 176.47 3it8 n GLU 218 N 3.32 2.66 0.21 2.79 1.02 -1.26 -0.46 120.64 128.92 3it8 n GLU 218 Ca -0.19 0.96 0.18 0.00 -0.02 0.00 0.00 57.16 58.08 3it8 n GLU 218 Cb 0.53 -2.77 0.84 0.00 -0.02 0.00 0.00 31.44 30.02 3it8 n GLU 218 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 3it8 h SER 219 N 6.04 0.00 -0.96 1.62 4.64 -1.65 -2.31 113.55 120.92 3it8 h SER 219 Ca -0.44 0.00 0.11 0.00 -0.47 0.00 0.00 61.79 60.98 3it8 h SER 219 Cb 1.22 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 63.23 3it8 h SER 219 CO 0.90 0.00 0.61 1.05 -0.87 0.00 0.00 176.83 178.52 3it8 h GLU 220 N 0.00 0.93 0.00 4.77 4.11 -1.88 -1.31 114.58 121.20 3it8 h GLU 220 Ca 0.09 -0.06 0.00 0.00 0.07 0.00 0.00 59.36 59.46 3it8 h GLU 220 Cb 0.58 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 29.62 3it8 h GLU 220 CO -0.00 0.61 0.00 0.72 0.07 0.00 0.00 179.01 180.41 3it8 n HIS 221 N -4.57 0.00 -0.11 2.06 8.25 -0.87 -1.71 115.22 118.27 3it8 n HIS 221 Ca 0.17 0.00 0.10 0.00 -0.26 0.00 0.00 57.72 57.74 3it8 n HIS 221 Cb 0.33 -0.45 0.29 0.00 1.12 0.00 0.00 29.99 31.29 3it8 n HIS 221 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 3it8 n PHE 222 N -1.45 0.92 -3.46 4.41 3.01 -0.49 -4.97 117.46 115.44 3it8 n PHE 222 Ca 0.02 -0.45 -0.13 0.00 1.01 0.00 0.00 57.45 57.90 3it8 n PHE 222 Cb 0.06 -0.02 -0.01 0.00 -0.01 0.00 0.00 39.48 39.50 3it8 n PHE 222 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 3it8 n LYS 223 N 1.38 -0.88 0.00 -1.08 4.01 -0.69 -0.04 118.16 120.86 3it8 n LYS 223 Ca 0.22 -0.15 0.00 0.00 -0.51 0.00 0.00 58.31 57.87 3it8 n LYS 223 Cb 0.58 -0.69 0.00 0.00 -0.51 0.00 0.00 35.03 34.41 3it8 n LYS 223 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 3it8 n GLY 224 N -1.43 2.40 3.51 0.72 0.00 -1.26 -4.97 105.19 104.17 3it8 n GLY 224 Ca -0.07 -0.05 -0.39 0.00 0.00 0.00 0.00 46.02 45.51 3it8 n GLY 224 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3it8 s GLU 225 N 0.00 3.60 -1.33 1.61 2.12 0.94 -5.01 118.70 120.63 3it8 s GLU 225 Ca 0.00 -0.55 -0.09 0.00 0.36 0.00 0.00 54.97 54.69 3it8 s GLU 225 Cb 0.00 -3.65 0.13 0.00 0.26 0.00 0.00 34.13 30.86 3it8 s GLU 225 CO 0.00 -0.33 2.12 0.66 -0.54 0.00 0.00 175.26 177.17 3it8 n TYR 226 N 5.04 2.85 -4.28 5.30 4.02 -1.26 -4.73 117.16 124.10 3it8 n TYR 226 Ca -0.14 -2.83 -0.18 0.00 -0.01 0.00 0.00 57.90 54.74 3it8 n TYR 226 Cb 0.50 -2.00 -0.15 0.00 -0.02 0.00 0.00 39.34 37.67 3it8 n TYR 226 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 176.86 176.00 3it8 s LYS 227 N 0.32 0.71 -0.42 -0.72 1.02 -1.26 -4.54 119.74 114.84 3it8 s LYS 227 Ca 0.46 -0.24 -0.23 0.00 0.02 0.00 0.00 55.97 55.98 3it8 s LYS 227 Cb 0.13 -0.68 0.02 0.00 -0.52 0.00 0.00 37.83 36.78 3it8 s LYS 227 CO -0.04 0.11 0.77 -0.47 -0.92 0.00 0.00 175.35 174.81 3it8 s TYR 228 N 0.08 3.04 -0.20 3.18 5.04 -1.26 -5.02 117.35 122.21 3it8 s TYR 228 Ca -0.01 0.29 -0.27 0.00 -2.44 0.00 0.00 57.07 54.64 3it8 s TYR 228 Cb -0.06 -3.55 -0.00 0.00 0.35 0.00 0.00 41.96 38.69 3it8 s TYR 228 CO -0.00 -0.89 0.92 0.08 -1.34 0.00 0.00 175.55 174.32 3it8 s VAL 229 N 3.20 4.79 0.00 3.14 1.01 -1.26 -4.99 120.40 126.28 3it8 s VAL 229 Ca 0.30 1.80 0.00 0.00 0.00 0.00 0.00 61.98 64.08 3it8 s VAL 229 Cb -0.13 -4.21 0.00 0.00 0.00 0.00 0.00 36.38 32.04 3it8 s VAL 229 CO 0.20 -0.06 0.43 -3.20 0.00 0.00 0.00 175.10 172.47 3it8 n ASN 230 N 5.72 0.00 0.00 3.32 2.85 -1.26 -1.55 115.26 124.34 3it8 n ASN 230 Ca 0.08 0.43 0.06 0.00 -0.11 0.00 0.00 54.58 55.04 3it8 n ASN 230 Cb 0.48 -0.03 0.37 0.00 1.24 0.00 0.00 39.78 41.84 3it8 n ASN 230 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 3it8 n GLY 231 N -0.91 -0.58 3.79 8.20 0.00 -1.26 -4.85 105.19 109.58 3it8 n GLY 231 Ca 0.00 -0.08 -0.35 0.00 0.00 0.00 0.00 46.02 45.59 3it8 n GLY 231 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3it8 s ARG 232 N -2.00 4.15 0.21 1.61 3.52 -0.60 -5.04 118.95 120.80 3it8 s ARG 232 Ca 0.19 1.36 -0.23 0.00 -0.13 0.00 0.00 55.73 56.92 3it8 s ARG 232 Cb 0.09 -2.39 -0.08 0.00 -1.56 0.00 0.00 34.95 31.01 3it8 s ARG 232 CO 0.14 -0.13 0.77 -0.47 -0.81 0.00 0.00 175.30 174.80 3it8 s TYR 233 N -1.85 3.75 -0.12 5.12 5.04 -1.26 -4.94 117.35 123.09 3it8 s TYR 233 Ca 0.60 1.53 -0.05 0.00 -2.44 0.00 0.00 57.07 56.71 3it8 s TYR 233 Cb -0.17 -2.71 0.06 0.00 0.35 0.00 0.00 41.96 39.48 3it8 s TYR 233 CO 0.22 0.39 0.25 0.71 -1.34 0.00 0.00 175.55 175.78 3it8 s TYR 234 N -1.39 -0.37 0.48 4.97 1.51 -1.26 -5.12 117.35 116.16 3it8 s TYR 234 Ca 0.41 0.88 -0.23 0.00 -1.01 0.00 0.00 57.07 57.12 3it8 s TYR 234 Cb -0.19 -0.02 -0.07 0.00 -0.11 0.00 0.00 41.96 41.57 3it8 s TYR 234 CO 0.23 -0.30 1.23 -2.14 -1.11 0.00 0.00 175.55 173.46 3it8 s PRO 235 N 1.96 3.60 -0.04 -1.71 0.02 -1.26 -4.97 135.00 132.60 3it8 s PRO 235 Ca -0.03 1.93 0.06 0.00 0.02 0.00 0.00 61.00 62.98 3it8 s PRO 235 Cb -0.11 -2.39 0.09 0.00 0.02 0.00 0.00 34.50 32.11 3it8 s PRO 235 CO -0.08 -0.73 1.05 -0.85 -0.33 0.00 0.00 177.00 176.05 3it8 n GLU 236 N -0.60 0.36 -3.34 5.54 0.28 -1.26 -4.66 120.64 116.96 3it8 n GLU 236 Ca 0.08 -1.47 -0.11 0.00 -0.16 0.00 0.00 57.16 55.50 3it8 n GLU 236 Cb 0.47 -0.77 0.00 0.00 1.43 0.00 0.00 31.44 32.57 3it8 n GLU 236 CO 0.00 0.00 0.00 0.91 -0.16 0.00 0.00 177.13 177.88 3it8 n TRP 237 N -0.39 -2.65 -1.34 -1.84 5.03 -1.25 -4.03 117.44 110.98 3it8 n TRP 237 Ca 0.05 1.04 -0.34 0.00 3.03 0.00 0.00 57.50 61.28 3it8 n TRP 237 Cb 0.69 -3.53 0.10 0.00 -1.03 0.00 0.00 31.31 27.54 3it8 n TRP 237 CO 0.00 0.00 0.00 0.20 -0.03 0.00 0.00 177.69 177.86 3it8 s GLY 238 N -2.93 2.23 0.57 6.99 0.00 -1.26 -4.69 107.32 108.23 3it8 s GLY 238 Ca 0.03 0.81 -0.00 0.00 0.00 0.00 0.00 44.72 45.55 3it8 s GLY 238 CO 0.81 1.21 0.81 0.50 0.00 0.00 0.00 173.10 176.43 3it8 s ARG 239 N -4.05 2.53 -0.27 2.90 1.81 -1.26 -5.08 118.95 115.53 3it8 s ARG 239 Ca 0.73 -0.68 -0.04 0.00 -1.72 0.00 0.00 55.73 54.02 3it8 s ARG 239 Cb -0.28 -2.44 0.02 0.00 -0.45 0.00 0.00 34.95 31.80 3it8 s ARG 239 CO 0.47 -0.76 0.00 0.21 -0.68 0.00 0.00 175.30 174.54 3it8 s LYS 240 N -4.82 2.98 0.01 3.54 2.20 -1.26 -5.07 119.74 117.31 3it8 s LYS 240 Ca 0.57 -0.90 -0.28 0.00 -0.36 0.00 0.00 55.97 55.00 3it8 s LYS 240 Cb -0.10 -3.15 0.09 0.00 -1.51 0.00 0.00 37.83 33.16 3it8 s LYS 240 CO 0.39 -0.40 0.78 0.45 -0.36 0.00 0.00 175.35 176.21 3it8 s SER 241 N 1.41 -0.48 0.39 1.43 0.15 -1.26 -5.01 113.70 110.32 3it8 s SER 241 Ca 0.01 0.21 0.27 0.00 0.70 0.00 0.00 55.95 57.14 3it8 s SER 241 Cb -0.17 0.46 0.88 0.00 -1.71 0.00 0.00 66.02 65.49 3it8 s SER 241 CO -0.01 -0.67 1.78 0.78 1.20 0.00 0.00 173.24 176.31 3it8 h ASN 242 N 2.29 0.00 -2.65 5.45 2.35 -1.96 -3.44 115.58 117.61 3it8 h ASN 242 Ca -0.26 0.00 -0.53 0.00 -0.55 0.00 0.00 56.30 54.96 3it8 h ASN 242 Cb 1.23 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 39.58 3it8 h ASN 242 CO 0.34 0.00 -0.41 -0.31 -1.65 0.00 0.00 177.43 175.41 3it8 s TYR 243 N -3.35 3.48 -0.10 1.19 1.51 -1.26 -4.91 117.35 113.92 3it8 s TYR 243 Ca 0.05 0.20 -0.05 0.00 -1.01 0.00 0.00 57.07 56.27 3it8 s TYR 243 Cb 0.09 -1.74 -0.04 0.00 -0.11 0.00 0.00 41.96 40.16 3it8 s TYR 243 CO 0.56 0.45 0.09 -1.21 -1.11 0.00 0.00 175.55 174.33 3it8 s GLU 244 N -3.33 3.26 0.21 -0.62 2.02 -1.26 -4.89 118.70 114.09 3it8 s GLU 244 Ca 0.36 -0.25 -0.32 0.00 0.02 0.00 0.00 54.97 54.78 3it8 s GLU 244 Cb -0.11 -3.03 -0.14 0.00 0.10 0.00 0.00 34.13 30.95 3it8 s GLU 244 CO 0.29 0.74 1.32 -0.35 0.02 0.00 0.00 175.26 177.28 3it8 n PRO 245 N 1.96 1.70 0.00 0.39 -0.04 -1.26 -1.74 135.00 136.01 3it8 n PRO 245 Ca -0.19 0.61 0.00 0.00 -0.04 0.00 0.00 63.50 63.88 3it8 n PRO 245 Cb 0.54 -2.20 0.00 0.00 -0.04 0.00 0.00 33.50 31.80 3it8 n PRO 245 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3it8 n GLY 246 N 2.12 2.81 3.74 0.55 0.00 -1.26 -5.07 105.19 108.09 3it8 n GLY 246 Ca 0.13 -1.00 -0.41 0.00 0.00 0.00 0.00 46.02 44.74 3it8 n GLY 246 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3it8 s GLU 247 N 0.00 4.57 0.66 1.61 2.02 -0.71 -4.90 118.70 121.95 3it8 s GLU 247 Ca 0.00 1.78 0.32 0.00 0.02 0.00 0.00 54.97 57.09 3it8 s GLU 247 Cb 0.00 -3.25 1.73 0.00 0.10 0.00 0.00 34.13 32.71 3it8 s GLU 247 CO 0.00 0.05 1.98 -1.00 0.02 0.00 0.00 175.26 176.31 3it8 h PRO 248 N 4.92 0.00 0.00 0.39 0.13 -1.98 -0.99 132.00 134.47 3it8 h PRO 248 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 3it8 h PRO 248 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 3it8 h PRO 248 CO 0.72 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.90 3it8 n GLY 249 N -1.22 -1.13 3.71 1.56 0.00 -1.26 -4.80 105.19 102.05 3it8 n GLY 249 Ca -0.02 -0.07 -0.42 0.00 0.00 0.00 0.00 46.02 45.51 3it8 n GLY 249 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3it8 s PHE 250 N -2.90 3.22 -0.57 1.61 5.36 -0.38 -4.83 117.98 119.49 3it8 s PHE 250 Ca 0.12 0.97 -0.27 0.00 -0.96 0.00 0.00 56.93 56.79 3it8 s PHE 250 Cb 0.13 -3.66 -0.02 0.00 -0.34 0.00 0.00 43.02 39.13 3it8 s PHE 250 CO 0.35 -2.29 1.90 -2.14 -1.46 0.00 0.00 175.22 171.58 3it8 s PRO 251 N 1.22 2.66 -0.10 10.12 0.02 -1.26 -4.98 135.00 142.68 3it8 s PRO 251 Ca 0.64 0.76 0.04 0.00 0.02 0.00 0.00 61.00 62.46 3it8 s PRO 251 Cb -0.36 -4.38 -0.00 0.00 0.02 0.00 0.00 34.50 29.78 3it8 s PRO 251 CO 0.30 -2.68 -0.23 -1.58 -0.33 0.00 0.00 177.00 172.48 3it8 s TRP 252 N 9.08 2.58 -1.29 6.54 0.52 -1.26 -5.03 118.94 130.08 3it8 s TRP 252 Ca 0.71 -0.98 -0.18 0.00 0.02 0.00 0.00 56.10 55.67 3it8 s TRP 252 Cb -0.14 -1.72 0.02 0.00 -1.15 0.00 0.00 33.47 30.48 3it8 s TRP 252 CO 0.23 -0.38 1.94 -1.71 0.02 0.00 0.00 176.95 177.05 3it8 n ASN 253 N 3.48 4.14 -4.56 2.95 2.85 -1.26 -4.90 115.26 117.96 3it8 n ASN 253 Ca -0.19 -2.85 -0.33 0.00 -0.11 0.00 0.00 54.58 51.10 3it8 n ASN 253 Cb 0.53 -1.66 -0.11 0.00 1.24 0.00 0.00 39.78 39.77 3it8 n ASN 253 CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 3it8 s ILE 254 N 4.75 3.54 -0.01 -1.44 1.01 -1.26 -1.76 121.20 126.04 3it8 s ILE 254 Ca 0.54 -0.60 -0.01 0.00 0.00 0.00 0.00 60.65 60.58 3it8 s ILE 254 Cb 0.08 -2.45 -0.00 0.00 0.01 0.00 0.00 42.46 40.09 3it8 s ILE 254 CO 0.03 0.56 0.02 -0.54 0.00 0.00 0.00 174.94 175.02 3it8 s LYS 255 N -0.91 0.10 -0.42 2.79 1.02 -0.60 -4.99 119.74 116.73 3it8 s LYS 255 Ca 0.13 -0.09 -0.29 0.00 0.02 0.00 0.00 55.97 55.75 3it8 s LYS 255 Cb -0.11 0.04 0.01 0.00 -0.52 0.00 0.00 37.83 37.26 3it8 s LYS 255 CO 0.02 -0.02 1.34 0.21 -0.92 0.00 0.00 175.35 175.99 3it8 s LYS 256 N -0.29 3.64 0.96 1.68 2.20 -1.26 -1.41 119.74 125.25 3it8 s LYS 256 Ca -0.03 0.87 -0.11 0.00 -0.36 0.00 0.00 55.97 56.34 3it8 s LYS 256 Cb -0.02 -3.99 0.17 0.00 -1.51 0.00 0.00 37.83 32.48 3it8 s LYS 256 CO -0.00 -1.49 1.10 0.16 -0.36 0.00 0.00 175.35 174.76 3it8 s ASP 257 N 3.50 2.70 0.11 1.43 1.47 -1.17 -4.90 116.67 119.81 3it8 s ASP 257 Ca 0.58 1.82 -0.03 0.00 1.18 0.00 0.00 52.55 56.10 3it8 s ASP 257 Cb -0.12 -2.41 -0.03 0.00 -0.34 0.00 0.00 42.92 40.02 3it8 s ASP 257 CO 0.32 -3.18 -0.04 2.29 0.68 0.00 0.00 175.17 175.24 3it8 n LYS 258 N -4.26 0.00 0.00 2.11 0.00 -1.26 -3.80 118.16 110.95 3it8 n LYS 258 Ca 0.08 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.39 3it8 n LYS 258 Cb 0.53 -0.19 0.00 0.00 -0.00 0.00 0.00 35.03 35.37 3it8 n LYS 258 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 3it8 n ASP 259 N 0.50 0.00 -3.67 -5.58 8.00 -1.26 -4.74 116.55 109.80 3it8 n ASP 259 Ca 0.01 0.00 -0.03 0.00 0.71 0.00 0.00 54.79 55.49 3it8 n ASP 259 Cb 0.09 0.00 -0.01 0.00 -0.02 0.00 0.00 41.12 41.19 3it8 n ASP 259 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3it8 s ALA 260 N 0.00 -1.73 -0.69 2.24 0.00 -1.25 -5.04 121.76 115.29 3it8 s ALA 260 Ca 0.00 0.12 0.24 0.00 0.00 0.00 0.00 51.96 52.32 3it8 s ALA 260 Cb 0.00 0.62 0.31 0.00 0.00 0.00 0.00 23.12 24.05 3it8 s ALA 260 CO 0.00 -1.05 1.28 0.09 0.00 0.00 0.00 175.76 176.07 3it8 n ASN 261 N -0.60 0.64 -4.86 0.00 3.02 -1.26 -4.85 115.26 107.34 3it8 n ASN 261 Ca -0.06 -0.01 -0.30 0.00 -0.03 0.00 0.00 54.58 54.19 3it8 n ASN 261 Cb 0.61 0.31 0.07 0.00 -0.61 0.00 0.00 39.78 40.16 3it8 n ASN 261 CO 0.00 0.00 0.00 0.28 -2.62 0.00 0.00 177.26 174.92 3it8 s THR 262 N -3.15 2.92 0.21 3.41 -1.32 -1.26 -4.87 115.64 111.58 3it8 s THR 262 Ca 0.06 0.30 0.05 0.00 -1.21 0.00 0.00 61.69 60.89 3it8 s THR 262 Cb 0.14 -3.23 -0.05 0.00 -1.51 0.00 0.00 72.50 67.86 3it8 s THR 262 CO 0.73 -0.39 -0.06 -0.31 -2.21 0.00 0.00 174.62 172.38 3it8 s TYR 263 N -3.37 1.54 0.05 9.09 1.51 -0.42 -3.04 117.35 122.72 3it8 s TYR 263 Ca 0.60 -0.79 0.03 0.00 -1.01 0.00 0.00 57.07 55.90 3it8 s TYR 263 Cb -0.12 -0.84 -0.03 0.00 -0.11 0.00 0.00 41.96 40.87 3it8 s TYR 263 CO 0.52 0.10 -0.10 -1.12 -1.11 0.00 0.00 175.55 173.84 3it8 s SER 264 N -3.28 1.11 0.05 2.29 0.01 -0.50 -0.45 113.70 112.93 3it8 s SER 264 Ca 0.24 -0.59 0.02 0.00 1.31 0.00 0.00 55.95 56.94 3it8 s SER 264 Cb 0.03 0.01 -0.03 0.00 0.21 0.00 0.00 66.02 66.25 3it8 s SER 264 CO 0.06 -0.17 -0.08 -0.22 0.41 0.00 0.00 173.24 173.24 3it8 s LEU 265 N -1.68 2.28 -0.14 2.44 2.96 0.04 -1.56 118.68 123.03 3it8 s LEU 265 Ca -0.07 -0.59 -0.03 0.00 -0.22 0.00 0.00 54.13 53.22 3it8 s LEU 265 Cb -0.10 -0.15 0.05 0.00 0.50 0.00 0.00 46.19 46.50 3it8 s LEU 265 CO 0.01 -0.23 0.05 -0.89 -1.32 0.00 0.00 176.35 173.97 3it8 s THR 266 N -1.59 0.18 -0.17 3.68 2.01 -0.72 -0.94 115.64 118.08 3it8 s THR 266 Ca -0.08 -0.14 -0.01 0.00 0.31 0.00 0.00 61.69 61.77 3it8 s THR 266 Cb -0.09 -0.64 -0.00 0.00 0.01 0.00 0.00 72.50 71.78 3it8 s THR 266 CO -0.00 -0.09 -0.12 -0.62 -0.69 0.00 0.00 174.62 173.09 3it8 s ASP 267 N 2.03 3.82 0.15 3.53 2.15 0.94 -4.26 116.67 125.03 3it8 s ASP 267 Ca 0.02 -0.45 0.04 0.00 0.43 0.00 0.00 52.55 52.59 3it8 s ASP 267 Cb -0.15 -1.61 -0.04 0.00 -0.30 0.00 0.00 42.92 40.82 3it8 s ASP 267 CO -0.07 0.05 0.14 -0.22 -0.17 0.00 0.00 175.17 174.91 3it8 s LEU 268 N 1.00 3.87 -0.07 -1.34 2.96 -1.26 -0.01 118.68 123.83 3it8 s LEU 268 Ca -0.01 -0.07 -0.05 0.00 -0.22 0.00 0.00 54.13 53.78 3it8 s LEU 268 Cb -0.15 -2.48 0.03 0.00 0.50 0.00 0.00 46.19 44.09 3it8 s LEU 268 CO -0.02 0.08 0.17 -0.69 -1.32 0.00 0.00 176.35 174.58 3it8 s VAL 269 N -1.69 -0.02 -0.72 1.68 1.01 0.12 -4.98 120.40 115.80 3it8 s VAL 269 Ca 0.31 0.08 -0.26 0.00 0.00 0.00 0.00 61.98 62.11 3it8 s VAL 269 Cb -0.11 -0.26 0.04 0.00 0.00 0.00 0.00 36.38 36.06 3it8 s VAL 269 CO 0.24 0.03 1.19 -0.60 0.00 0.00 0.00 175.10 175.96 3it8 s ARG 270 N 0.60 3.17 -0.90 2.72 3.00 -1.26 -1.13 118.95 125.14 3it8 s ARG 270 Ca -0.04 -0.42 -0.12 0.00 -1.00 0.00 0.00 55.73 54.14 3it8 s ARG 270 Cb -0.06 -4.20 -0.09 0.00 0.00 0.00 0.00 34.95 30.60 3it8 s ARG 270 CO -0.03 -2.05 2.07 2.41 0.00 0.00 0.00 175.30 177.69 3it8 n THR 271 N 6.24 2.29 -1.11 4.11 -1.04 -0.11 -4.92 114.28 119.75 3it8 n THR 271 Ca 0.01 -1.60 -0.32 0.00 -2.04 0.00 0.00 64.05 60.10 3it8 n THR 271 Cb 0.48 -2.24 0.12 0.00 -1.82 0.00 0.00 70.33 66.87 3it8 n THR 271 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 3it8 s THR 272 N 3.97 2.59 -1.94 12.58 2.01 -1.26 -4.05 115.64 129.54 3it8 s THR 272 Ca 0.47 0.22 0.21 0.00 0.31 0.00 0.00 61.69 62.91 3it8 s THR 272 Cb 0.12 -2.54 0.59 0.00 0.01 0.00 0.00 72.50 70.68 3it8 s THR 272 CO 0.02 -0.23 1.66 -0.24 -0.69 0.00 0.00 174.62 175.15 3it8 n SER 273 N -3.55 0.00 -0.37 3.53 2.88 -1.26 -3.60 113.62 111.25 3it8 n SER 273 Ca 0.11 -0.60 0.02 0.00 -1.33 0.00 0.00 58.87 57.07 3it8 n SER 273 Cb 0.52 -0.03 0.17 0.00 -0.75 0.00 0.00 64.21 64.12 3it8 n SER 273 CO 0.00 0.00 0.00 0.11 -1.23 0.00 0.00 175.04 173.92 3it8 h LYS 274 N 0.00 1.16 0.00 -1.46 1.57 -1.97 -3.43 116.57 112.44 3it8 h LYS 274 Ca 0.00 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.71 3it8 h LYS 274 Cb 0.02 -0.26 0.00 0.00 0.08 0.00 0.00 32.23 32.07 3it8 h LYS 274 CO 0.00 0.77 0.00 0.00 -0.57 0.00 0.00 179.45 179.65 3it8 n MET 275 N -4.49 0.62 -0.97 3.15 0.00 -1.24 -5.05 117.12 109.14 3it8 n MET 275 Ca 0.15 0.00 -0.03 0.00 0.00 0.00 0.00 57.70 57.82 3it8 n MET 275 Cb 0.17 0.00 -0.02 0.00 0.00 0.00 0.00 33.22 33.37 3it8 n MET 275 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 175.97 174.84 3it8 n SER 276 N -0.47 -0.55 0.00 3.17 3.41 -1.26 -4.98 113.62 112.94 3it8 n SER 276 Ca 0.00 -1.11 0.00 0.00 -0.26 0.00 0.00 58.87 57.50 3it8 n SER 276 Cb 0.00 0.18 0.00 0.00 -0.26 0.00 0.00 64.21 64.13 3it8 n SER 276 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 3it8 n SER 277 N -0.13 0.00 -1.93 4.04 7.64 -1.26 -4.94 113.62 117.04 3it8 n SER 277 Ca -0.13 -0.07 0.00 0.00 1.01 0.00 0.00 58.87 59.67 3it8 n SER 277 Cb 0.51 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.71 3it8 n SER 277 CO 0.00 0.00 0.00 1.67 -3.01 0.00 0.00 175.04 173.70 3it8 n GLN 278 N 0.00 -3.92 -0.95 1.43 7.27 -1.26 -3.94 117.38 116.01 3it8 n GLN 278 Ca 0.00 2.96 -0.33 0.00 0.07 0.00 0.00 57.00 59.70 3it8 n GLN 278 Cb 0.02 -3.54 0.14 0.00 2.41 0.00 0.00 30.24 29.27 3it8 n GLN 278 CO 0.00 0.00 0.00 -0.35 0.07 0.00 0.00 177.06 176.78 3it8 n PRO 279 N 1.37 -0.05 -4.48 3.69 -0.04 -1.26 -2.93 135.00 131.29 3it8 n PRO 279 Ca 0.00 0.06 -0.29 0.00 -0.04 0.00 0.00 63.50 63.23 3it8 n PRO 279 Cb 0.00 -2.41 -0.13 0.00 -0.04 0.00 0.00 33.50 30.92 3it8 n PRO 279 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3it8 s VAL 280 N -2.30 2.27 -0.22 0.52 0.11 0.39 -4.79 120.40 116.37 3it8 s VAL 280 Ca 0.71 -1.68 -0.17 0.00 -2.93 0.00 0.00 61.98 57.91 3it8 s VAL 280 Cb -0.27 -1.98 -0.03 0.00 -1.53 0.00 0.00 36.38 32.56 3it8 s VAL 280 CO 0.54 0.14 0.45 0.00 -3.33 0.00 0.00 175.10 172.90 3it8 s VAL 282 N 1.74 4.08 -0.25 0.00 1.01 0.38 0.46 120.40 127.82 3it8 s VAL 282 Ca 0.20 -0.36 -0.09 0.00 0.00 0.00 0.00 61.98 61.73 3it8 s VAL 282 Cb -0.15 -2.96 -0.04 0.00 0.00 0.00 0.00 36.38 33.23 3it8 s VAL 282 CO 0.09 0.28 0.12 -0.69 0.00 0.00 0.00 175.10 174.90 3it8 s VAL 283 N 1.56 4.83 -0.28 2.92 1.01 -0.08 -0.75 120.40 129.61 3it8 s VAL 283 Ca 0.05 0.00 -0.09 0.00 0.00 0.00 0.00 61.98 61.95 3it8 s VAL 283 Cb -0.16 -3.26 -0.02 0.00 0.00 0.00 0.00 36.38 32.94 3it8 s VAL 283 CO 0.02 0.32 0.13 -0.36 0.00 0.00 0.00 175.10 175.22 3it8 s PHE 284 N 1.44 3.15 0.12 5.22 0.40 0.72 -2.25 117.98 126.78 3it8 s PHE 284 Ca 0.06 -0.39 -0.14 0.00 -0.60 0.00 0.00 56.93 55.87 3it8 s PHE 284 Cb -0.15 -2.31 0.02 0.00 0.51 0.00 0.00 43.02 41.09 3it8 s PHE 284 CO 0.06 -0.36 0.34 -1.58 0.70 0.00 0.00 175.22 174.37 3it8 s HIS 285 N 1.64 -0.06 0.20 0.36 2.46 -1.25 -2.07 115.29 116.56 3it8 s HIS 285 Ca 0.06 -0.29 -0.11 0.00 0.47 0.00 0.00 55.06 55.19 3it8 s HIS 285 Cb -0.16 0.15 0.22 0.00 -0.13 0.00 0.00 32.58 32.67 3it8 s HIS 285 CO 0.06 -0.66 1.75 -0.44 -2.47 0.00 0.00 174.74 172.98 3it8 h ASP 286 N 2.48 0.25 -3.85 9.88 5.19 -1.87 -3.27 116.42 125.23 3it8 h ASP 286 Ca -0.34 0.06 -0.47 0.00 -0.62 0.00 0.00 57.03 55.66 3it8 h ASP 286 Cb 1.24 0.03 -0.02 0.00 0.18 0.00 0.00 39.33 40.76 3it8 h ASP 286 CO 0.49 0.16 0.29 0.42 -3.12 0.00 0.00 179.24 177.49 3it8 s THR 287 N -6.11 4.32 -0.56 0.35 -4.23 -1.26 -4.19 115.64 103.96 3it8 s THR 287 Ca -0.13 1.64 -0.15 0.00 -1.18 0.00 0.00 61.69 61.88 3it8 s THR 287 Cb 0.16 -3.91 0.02 0.00 1.34 0.00 0.00 72.50 70.11 3it8 s THR 287 CO 0.74 0.07 0.64 0.00 -0.54 0.00 0.00 174.62 175.53 3it8 n LEU 288 N 0.38 -5.78 -0.15 4.79 -0.00 -1.26 -4.77 117.00 110.21 3it8 n LEU 288 Ca 0.02 0.05 0.07 0.00 -0.00 0.00 0.00 56.01 56.15 3it8 n LEU 288 Cb 0.51 -2.79 0.14 0.00 -0.00 0.00 0.00 43.42 41.28 3it8 n LEU 288 CO 0.43 -1.22 0.35 -0.62 -0.00 0.00 0.00 177.39 176.32 3it8 n GLU 289 N -0.94 -0.03 -3.15 1.47 1.02 -1.24 -3.94 120.64 113.82 3it8 n GLU 289 Ca -0.01 0.63 0.05 0.00 -0.02 0.00 0.00 57.16 57.81 3it8 n GLU 289 Cb 0.55 -1.01 -0.01 0.00 -0.02 0.00 0.00 31.44 30.95 3it8 n GLU 289 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3it8 s ALA 290 N -5.17 -3.45 0.06 0.62 0.00 -1.26 -2.48 121.76 110.08 3it8 s ALA 290 Ca -0.05 1.42 0.05 0.00 0.00 0.00 0.00 51.96 53.38 3it8 s ALA 290 Cb 0.13 -2.56 -0.04 0.00 0.00 0.00 0.00 23.12 20.65 3it8 s ALA 290 CO 0.33 -1.62 -0.08 -0.65 0.00 0.00 0.00 175.76 173.75 3it8 s GLN 291 N 2.94 2.35 -0.09 0.00 -0.21 -0.95 -4.51 119.66 119.18 3it8 s GLN 291 Ca 0.08 -0.88 -0.05 0.00 0.02 0.00 0.00 55.36 54.53 3it8 s GLN 291 Cb -0.09 -2.41 -0.04 0.00 1.00 0.00 0.00 33.01 31.48 3it8 s GLN 291 CO -0.15 0.55 0.10 0.08 -2.12 0.00 0.00 175.29 173.75 3it8 s VAL 292 N -1.13 5.12 -0.01 1.09 1.01 -1.26 -0.91 120.40 124.31 3it8 s VAL 292 Ca 0.20 -0.01 0.02 0.00 0.00 0.00 0.00 61.98 62.19 3it8 s VAL 292 Cb -0.11 -3.25 -0.00 0.00 0.00 0.00 0.00 36.38 33.02 3it8 s VAL 292 CO 0.12 0.55 -0.06 -0.31 0.00 0.00 0.00 175.10 175.40 3it8 s TYR 293 N -1.05 0.60 0.00 5.22 1.51 0.17 -4.99 117.35 118.82 3it8 s TYR 293 Ca 0.17 -0.12 0.00 0.00 -1.01 0.00 0.00 57.07 56.11 3it8 s TYR 293 Cb -0.12 -0.42 0.00 0.00 -0.11 0.00 0.00 41.96 41.31 3it8 s TYR 293 CO 0.06 -0.04 0.00 0.25 -1.11 0.00 0.00 175.55 174.71 3it8 n THR 294 N 3.11 0.00 -1.49 -0.71 -2.24 -1.26 -0.22 114.28 111.48 3it8 n THR 294 Ca -0.15 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.63 3it8 n THR 294 Cb 0.57 -0.05 0.00 0.00 -2.10 0.00 0.00 70.33 68.75 3it8 n THR 294 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3it8 n SER 296 N -1.07 0.58 0.00 0.00 7.64 -1.26 -4.38 113.62 115.13 3it8 n SER 296 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 3it8 n SER 296 Cb 0.05 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.25 3it8 n SER 296 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 3it8 n GLU 297 N 0.00 0.00 0.00 1.43 4.71 -1.23 0.15 120.64 125.70 3it8 n GLU 297 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.15 3it8 n GLU 297 Cb 0.00 -1.33 0.00 0.00 -1.01 0.00 0.00 31.44 29.10 3it8 n GLU 297 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 3it8 n GLY 298 N -0.05 -0.14 3.89 0.62 0.00 -1.25 -4.61 105.19 103.65 3it8 n GLY 298 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3it8 n GLY 298 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32