#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1h0b s VAL 3 N 0.00 0.69 -0.20 2.28 0.11 -0.60 -4.95 120.40 117.73 1h0b s VAL 3 Ca 0.00 -0.50 -0.08 0.00 -2.93 0.00 0.00 61.98 58.47 1h0b s VAL 3 Cb 0.00 -0.61 -0.04 0.00 -1.53 0.00 0.00 36.38 34.20 1h0b s VAL 3 CO 0.00 0.10 0.08 -0.70 -3.33 0.00 0.00 175.10 171.25 1h0b s GLU 4 N -0.45 3.96 -0.23 1.54 2.12 -1.26 -0.02 118.70 124.37 1h0b s GLU 4 Ca 0.02 -0.34 -0.04 0.00 0.36 0.00 0.00 54.97 54.96 1h0b s GLU 4 Cb -0.04 -3.28 -0.01 0.00 0.26 0.00 0.00 34.13 31.06 1h0b s GLU 4 CO -0.00 0.20 -0.03 -0.51 -0.54 0.00 0.00 175.26 174.38 1h0b s LEU 5 N 0.60 2.98 0.00 2.70 1.43 0.32 -4.95 118.68 121.76 1h0b s LEU 5 Ca 0.04 -0.39 0.02 0.00 -1.03 0.00 0.00 54.13 52.77 1h0b s LEU 5 Cb -0.13 -1.76 -0.01 0.00 0.03 0.00 0.00 46.19 44.32 1h0b s LEU 5 CO 0.01 -0.03 0.23 0.00 0.23 0.00 0.00 176.35 176.79 1h0b s GLY 7 N -0.87 2.95 0.36 0.00 0.00 -1.26 -4.55 107.32 103.95 1h0b s GLY 7 Ca 0.01 1.05 0.10 0.00 0.00 0.00 0.00 44.72 45.87 1h0b s GLY 7 CO 0.06 1.62 1.87 -0.09 0.00 0.00 0.00 173.10 176.56 1h0b h ARG 8 N 3.13 0.65 -0.13 2.90 2.43 -1.93 -2.03 114.38 119.39 1h0b h ARG 8 Ca -0.48 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 58.64 1h0b h ARG 8 Cb 1.23 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 30.62 1h0b h ARG 8 CO 0.64 0.43 -0.02 0.91 -1.51 0.00 0.00 179.97 180.42 1h0b n TRP 9 N -4.56 0.47 -1.94 2.20 7.02 -1.26 -1.93 117.44 117.44 1h0b n TRP 9 Ca 0.18 -0.99 -0.37 0.00 -1.02 0.00 0.00 57.50 55.29 1h0b n TRP 9 Cb 0.49 -0.24 0.03 0.00 -2.42 0.00 0.00 31.31 29.17 1h0b n TRP 9 CO 0.00 0.00 0.00 -0.51 -2.02 0.00 0.00 177.69 175.16 1h0b s ASP 10 N -2.46 5.39 0.12 -0.99 -0.00 -0.76 -4.83 116.67 113.14 1h0b s ASP 10 Ca 0.37 2.57 -0.20 0.00 -0.00 0.00 0.00 52.55 55.30 1h0b s ASP 10 Cb 0.32 -2.62 0.05 0.00 -0.00 0.00 0.00 42.92 40.67 1h0b s ASP 10 CO 0.05 -1.47 0.50 0.00 -0.00 0.00 0.00 175.17 174.25 1h0b s ALA 11 N -1.43 -1.26 -0.09 5.23 0.00 -1.26 -1.03 121.76 121.92 1h0b s ALA 11 Ca 0.72 0.28 -0.07 0.00 0.00 0.00 0.00 51.96 52.88 1h0b s ALA 11 Cb -0.35 0.71 0.03 0.00 0.00 0.00 0.00 23.12 23.51 1h0b s ALA 11 CO 0.41 -0.67 0.24 1.03 0.00 0.00 0.00 175.76 176.77 1h0b s ARG 12 N -3.53 0.26 0.10 0.00 1.81 -0.47 -5.00 118.95 112.11 1h0b s ARG 12 Ca 0.01 0.38 -0.29 0.00 -1.72 0.00 0.00 55.73 54.11 1h0b s ARG 12 Cb 0.00 0.06 -0.06 0.00 -0.45 0.00 0.00 34.95 34.51 1h0b s ARG 12 CO -0.11 -0.07 0.91 -0.51 -0.68 0.00 0.00 175.30 174.84 1h0b s ASP 13 N 0.44 7.43 0.30 0.23 1.01 -1.26 -1.32 116.67 123.51 1h0b s ASP 13 Ca -0.03 1.71 0.03 0.00 0.71 0.00 0.00 52.55 54.97 1h0b s ASP 13 Cb -0.04 -2.56 -0.06 0.00 1.01 0.00 0.00 42.92 41.28 1h0b s ASP 13 CO -0.02 -0.04 0.08 0.68 0.21 0.00 0.00 175.17 176.08 1h0b s VAL 14 N -0.06 0.90 -1.35 -1.27 -7.23 -0.43 -4.76 120.40 106.20 1h0b s VAL 14 Ca 0.44 -2.00 -0.03 0.00 -1.81 0.00 0.00 61.98 58.58 1h0b s VAL 14 Cb -0.23 -2.71 -0.00 0.00 0.56 0.00 0.00 36.38 34.01 1h0b s VAL 14 CO 0.28 0.00 0.52 0.00 -0.31 0.00 0.00 175.10 175.59 1h0b n ALA 15 N -0.61 -2.09 -1.34 1.32 0.00 -0.42 -0.70 120.51 116.67 1h0b n ALA 15 Ca -0.01 -0.25 -0.12 0.00 0.00 0.00 0.00 53.44 53.06 1h0b n ALA 15 Cb 0.66 -1.92 -0.05 0.00 0.00 0.00 0.00 19.45 18.14 1h0b n ALA 15 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1h0b n GLY 16 N -1.87 1.24 0.89 0.00 0.00 -1.26 -2.36 105.19 101.83 1h0b n GLY 16 Ca -0.28 -0.32 0.00 0.00 0.00 0.00 0.00 46.02 45.42 1h0b n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1h0b n GLY 17 N -1.16 0.73 0.27 -0.02 0.00 0.13 -4.95 105.19 100.18 1h0b n GLY 17 Ca -0.12 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.87 1h0b n GLY 17 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1h0b h ARG 18 N 4.08 0.63 -5.27 1.61 2.43 -1.14 -0.91 114.38 115.81 1h0b h ARG 18 Ca 0.00 -0.18 -0.55 0.00 -0.81 0.00 0.00 59.98 58.45 1h0b h ARG 18 Cb 0.00 -0.07 -0.13 0.00 -0.42 0.00 0.00 29.97 29.35 1h0b h ARG 18 CO 0.00 0.71 -0.58 0.71 -1.51 0.00 0.00 179.97 179.30 1h0b s TYR 19 N -4.83 2.02 -0.07 2.20 4.12 -1.12 -4.56 117.35 115.10 1h0b s TYR 19 Ca -0.08 -0.97 -0.05 0.00 0.02 0.00 0.00 57.07 55.99 1h0b s TYR 19 Cb 0.15 -1.39 0.03 0.00 -1.52 0.00 0.00 41.96 39.22 1h0b s TYR 19 CO 0.79 0.06 0.18 0.50 0.02 0.00 0.00 175.55 177.10 1h0b s ARG 20 N -3.82 0.17 -0.15 -0.62 3.52 -0.81 -1.32 118.95 115.93 1h0b s ARG 20 Ca 0.30 0.34 -0.05 0.00 -0.13 0.00 0.00 55.73 56.19 1h0b s ARG 20 Cb 0.07 -0.03 -0.03 0.00 -1.56 0.00 0.00 34.95 33.40 1h0b s ARG 20 CO 0.14 -0.09 0.01 0.08 -0.81 0.00 0.00 175.30 174.63 1h0b s VAL 21 N 0.65 4.32 -0.05 7.11 1.01 -0.43 -0.70 120.40 132.31 1h0b s VAL 21 Ca -0.05 -0.21 0.04 0.00 0.00 0.00 0.00 61.98 61.77 1h0b s VAL 21 Cb -0.06 -2.90 -0.00 0.00 0.00 0.00 0.00 36.38 33.42 1h0b s VAL 21 CO -0.03 0.51 -0.19 0.27 0.00 0.00 0.00 175.10 175.66 1h0b s ILE 22 N 0.04 1.57 0.14 2.22 -4.36 0.24 -1.37 121.20 119.68 1h0b s ILE 22 Ca 0.03 -0.79 -0.13 0.00 -0.26 0.00 0.00 60.65 59.50 1h0b s ILE 22 Cb -0.13 -1.35 0.00 0.00 1.25 0.00 0.00 42.46 42.23 1h0b s ILE 22 CO 0.02 0.45 1.58 -1.13 0.24 0.00 0.00 174.94 176.10 1h0b h ASN 23 N 6.30 0.82 -6.46 4.36 -0.00 -1.37 -1.87 115.58 117.37 1h0b h ASN 23 Ca -0.31 -0.32 -0.49 0.00 -0.00 0.00 0.00 56.30 55.18 1h0b h ASN 23 Cb 1.18 -0.22 0.00 0.00 -0.00 0.00 0.00 38.32 39.28 1h0b h ASN 23 CO 0.48 0.95 -0.92 -3.20 -0.00 0.00 0.00 177.43 174.73 1h0b n ASN 24 N -4.34 -2.57 -4.06 1.15 5.15 -1.22 -3.41 115.26 105.96 1h0b n ASN 24 Ca 0.00 -1.05 -0.43 0.00 -0.60 0.00 0.00 54.58 52.50 1h0b n ASN 24 Cb 0.32 -2.99 0.00 0.00 -0.53 0.00 0.00 39.78 36.59 1h0b n ASN 24 CO 0.00 0.00 0.00 0.52 1.40 0.00 0.00 177.26 179.18 1h0b n VAL 25 N -4.40 4.12 0.08 3.44 0.31 -0.81 -1.75 118.33 119.32 1h0b n VAL 25 Ca -0.21 -4.19 -0.06 0.00 -0.01 0.00 0.00 64.34 59.87 1h0b n VAL 25 Cb 0.64 -2.43 -0.06 0.00 -0.91 0.00 0.00 33.84 31.08 1h0b n VAL 25 CO 0.00 0.00 0.00 4.11 -1.32 0.00 0.00 176.83 179.62 1h0b h TRP 26 N 6.31 0.00 -0.28 3.52 5.08 -1.84 -3.38 115.95 125.37 1h0b h TRP 26 Ca 0.41 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.38 1h0b h TRP 26 Cb 0.71 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.87 1h0b h TRP 26 CO 1.27 0.92 0.00 0.41 -1.28 0.00 0.00 178.44 179.76 1h0b n GLY 27 N 1.15 3.96 3.71 11.11 0.00 0.14 -5.02 105.19 120.24 1h0b n GLY 27 Ca -0.00 -1.03 -0.06 0.00 0.00 0.00 0.00 46.02 44.92 1h0b n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1h0b s ALA 28 N -2.82 -1.54 -1.99 4.61 0.00 -1.15 -4.58 121.76 114.29 1h0b s ALA 28 Ca 0.43 0.16 0.17 0.00 0.00 0.00 0.00 51.96 52.72 1h0b s ALA 28 Cb 0.35 0.70 0.19 0.00 0.00 0.00 0.00 23.12 24.36 1h0b s ALA 28 CO 0.09 -0.96 1.09 0.39 0.00 0.00 0.00 175.76 176.38 1h0b n GLU 29 N -0.42 1.58 -2.31 0.00 1.02 -1.26 -4.96 120.64 114.29 1h0b n GLU 29 Ca -0.07 -1.64 -0.37 0.00 -0.02 0.00 0.00 57.16 55.06 1h0b n GLU 29 Cb 0.61 -1.34 -0.02 0.00 -0.02 0.00 0.00 31.44 30.68 1h0b n GLU 29 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 1h0b s THR 30 N -1.34 3.21 0.46 2.62 -4.23 -1.26 -4.99 115.64 110.11 1h0b s THR 30 Ca 0.22 0.92 -0.23 0.00 -1.18 0.00 0.00 61.69 61.42 1h0b s THR 30 Cb 0.15 -3.47 -0.07 0.00 1.34 0.00 0.00 72.50 70.44 1h0b s THR 30 CO 0.22 0.00 1.23 0.00 -0.54 0.00 0.00 174.62 175.53 1h0b s ALA 31 N -1.55 3.01 -0.21 3.99 0.00 -1.26 -4.86 121.76 120.88 1h0b s ALA 31 Ca 0.62 1.08 -0.16 0.00 0.00 0.00 0.00 51.96 53.50 1h0b s ALA 31 Cb -0.28 -3.44 0.06 0.00 0.00 0.00 0.00 23.12 19.46 1h0b s ALA 31 CO 0.34 -0.84 0.53 -1.14 0.00 0.00 0.00 175.76 174.65 1h0b s GLN 32 N -2.63 0.58 0.04 0.00 0.74 -1.26 -1.49 119.66 115.65 1h0b s GLN 32 Ca 0.64 0.84 0.04 0.00 0.05 0.00 0.00 55.36 56.93 1h0b s GLN 32 Cb -0.33 0.19 -0.02 0.00 1.10 0.00 0.00 33.01 33.95 1h0b s GLN 32 CO 0.41 -0.11 -0.11 0.00 -0.55 0.00 0.00 175.29 174.92 1h0b s ILE 34 N -0.91 0.53 -0.33 0.00 -4.36 -0.44 -1.36 121.20 114.33 1h0b s ILE 34 Ca -0.01 -0.27 -0.12 0.00 -0.26 0.00 0.00 60.65 59.98 1h0b s ILE 34 Cb -0.08 -0.45 -0.02 0.00 1.25 0.00 0.00 42.46 43.16 1h0b s ILE 34 CO 0.01 0.16 0.22 -0.70 0.24 0.00 0.00 174.94 174.86 1h0b s GLU 35 N -0.07 3.49 -0.10 0.37 2.12 0.10 -0.53 118.70 124.09 1h0b s GLU 35 Ca 0.01 -0.64 -0.02 0.00 0.36 0.00 0.00 54.97 54.69 1h0b s GLU 35 Cb -0.04 -3.74 -0.03 0.00 0.26 0.00 0.00 34.13 30.58 1h0b s GLU 35 CO -0.00 -0.42 -0.02 0.08 -0.54 0.00 0.00 175.26 174.36 1h0b s VAL 36 N 1.70 4.10 -0.31 3.70 1.01 0.97 -1.96 120.40 129.61 1h0b s VAL 36 Ca 0.06 -0.32 -0.20 0.00 0.00 0.00 0.00 61.98 61.52 1h0b s VAL 36 Cb -0.17 -2.73 -0.01 0.00 0.00 0.00 0.00 36.38 33.47 1h0b s VAL 36 CO 0.10 0.58 0.60 -0.83 0.00 0.00 0.00 175.10 175.54 1h0b s GLY 37 N -0.56 1.79 0.46 4.51 0.00 0.44 -1.56 107.32 112.39 1h0b s GLY 37 Ca 0.09 -0.70 0.15 0.00 0.00 0.00 0.00 44.72 44.26 1h0b s GLY 37 CO 0.02 1.41 2.03 1.41 0.00 0.00 0.00 173.10 177.97 1h0b h LEU 38 N 9.12 0.00 -0.09 0.66 3.38 -1.94 0.27 115.31 126.70 1h0b h LEU 38 Ca -0.27 -0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.52 1h0b h LEU 38 Cb 1.12 -0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.84 1h0b h LEU 38 CO 0.79 0.14 -0.85 -0.33 0.09 0.00 0.00 178.44 178.29 1h0b h GLU 39 N 0.00 0.00 0.00 1.13 3.07 -1.95 -1.11 114.58 115.72 1h0b h GLU 39 Ca -0.00 0.00 -0.08 0.00 -0.50 0.00 0.00 59.36 58.78 1h0b h GLU 39 Cb 0.25 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.15 1h0b h GLU 39 CO 0.02 0.85 -1.37 0.25 -1.40 0.00 0.00 179.01 177.36 1h0b n THR 40 N -3.37 0.29 -0.35 1.13 -2.24 -1.18 -3.57 114.28 104.99 1h0b n THR 40 Ca 0.00 -0.22 0.00 0.00 -2.27 0.00 0.00 64.05 61.57 1h0b n THR 40 Cb 0.86 -0.52 0.00 0.00 -2.10 0.00 0.00 70.33 68.56 1h0b n THR 40 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1h0b n GLY 41 N 2.51 0.84 3.74 3.38 0.00 0.93 -4.70 105.19 111.89 1h0b n GLY 41 Ca -0.07 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.53 1h0b n GLY 41 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1h0b n ASN 42 N 0.00 3.62 -3.83 1.61 3.02 -1.25 -4.67 115.26 113.76 1h0b n ASN 42 Ca 0.00 1.17 -0.12 0.00 -0.03 0.00 0.00 54.58 55.60 1h0b n ASN 42 Cb 0.00 -1.57 -0.09 0.00 -0.61 0.00 0.00 39.78 37.51 1h0b n ASN 42 CO 0.00 0.00 0.00 0.72 -2.62 0.00 0.00 177.26 175.36 1h0b s PHE 43 N -0.30 -0.03 -0.04 3.10 -0.12 -0.20 -0.42 117.98 119.97 1h0b s PHE 43 Ca 0.62 -0.00 0.07 0.00 -0.05 0.00 0.00 56.93 57.57 1h0b s PHE 43 Cb -0.52 0.00 -0.01 0.00 -0.63 0.00 0.00 43.02 41.86 1h0b s PHE 43 CO 0.53 -0.33 -0.25 0.99 -0.05 0.00 0.00 175.22 176.11 1h0b s THR 44 N -1.39 2.01 -0.57 -4.49 2.01 -0.83 -0.43 115.64 111.95 1h0b s THR 44 Ca -0.14 -1.07 -0.27 0.00 0.31 0.00 0.00 61.69 60.52 1h0b s THR 44 Cb -0.07 -1.69 0.03 0.00 0.01 0.00 0.00 72.50 70.79 1h0b s THR 44 CO 0.02 0.56 1.12 -0.63 -0.69 0.00 0.00 174.62 175.01 1h0b s ILE 45 N -0.37 4.12 -0.40 1.82 1.01 -0.26 -0.72 121.20 126.40 1h0b s ILE 45 Ca 0.03 0.74 0.23 0.00 0.00 0.00 0.00 60.65 61.65 1h0b s ILE 45 Cb -0.12 -4.68 0.11 0.00 0.01 0.00 0.00 42.46 37.79 1h0b s ILE 45 CO 0.01 -1.28 1.29 0.71 0.00 0.00 0.00 174.94 175.68 1h0b h THR 46 N 6.12 0.00 -2.50 2.92 1.35 -1.55 0.23 112.91 119.48 1h0b h THR 46 Ca -0.25 -0.86 -0.09 0.00 -0.55 0.00 0.00 66.41 64.66 1h0b h THR 46 Cb 1.06 1.53 -0.24 0.00 -1.73 0.00 0.00 68.15 68.77 1h0b h THR 46 CO 1.16 0.00 -0.19 -0.60 -0.25 0.00 0.00 175.52 175.64 1h0b s ARG 47 N -3.27 0.51 -0.29 4.72 3.52 -1.10 -4.87 118.95 118.17 1h0b s ARG 47 Ca 0.04 0.83 0.04 0.00 -0.13 0.00 0.00 55.73 56.50 1h0b s ARG 47 Cb 0.09 0.11 0.18 0.00 -1.56 0.00 0.00 34.95 33.78 1h0b s ARG 47 CO 0.73 -0.13 0.50 0.00 -0.81 0.00 0.00 175.30 175.60 1h0b s ALA 48 N 1.04 -1.83 -1.44 6.12 0.00 -1.26 -0.79 121.76 123.59 1h0b s ALA 48 Ca -0.06 0.67 0.12 0.00 0.00 0.00 0.00 51.96 52.69 1h0b s ALA 48 Cb -0.06 -2.32 0.43 0.00 0.00 0.00 0.00 23.12 21.17 1h0b s ALA 48 CO -0.09 -1.79 1.29 -0.25 0.00 0.00 0.00 175.76 174.92 1h0b n ASP 49 N 5.39 2.92 -4.77 0.00 8.00 -0.55 -4.35 116.55 123.18 1h0b n ASP 49 Ca 0.03 -2.21 -0.40 0.00 0.71 0.00 0.00 54.79 52.92 1h0b n ASP 49 Cb 0.52 -0.42 0.02 0.00 -0.02 0.00 0.00 41.12 41.22 1h0b n ASP 49 CO 0.00 0.00 0.00 -1.00 -0.39 0.00 0.00 177.20 175.81 1h0b s HIS 50 N -1.66 2.46 -0.46 1.24 3.76 -1.26 -4.84 115.29 114.54 1h0b s HIS 50 Ca 0.31 1.27 0.05 0.00 -0.15 0.00 0.00 55.06 56.53 1h0b s HIS 50 Cb 0.19 -3.91 0.25 0.00 1.11 0.00 0.00 32.58 30.22 1h0b s HIS 50 CO 0.16 -2.91 0.96 -3.47 -0.85 0.00 0.00 174.74 168.63 1h0b n ASP 51 N -0.20 -2.61 -1.10 1.40 -0.08 -1.23 -1.39 116.55 111.34 1h0b n ASP 51 Ca 0.05 -3.08 0.08 0.00 -1.51 0.00 0.00 54.79 50.34 1h0b n ASP 51 Cb 0.42 1.66 0.25 0.00 2.34 0.00 0.00 41.12 45.79 1h0b n ASP 51 CO 0.00 0.00 0.00 -3.20 0.12 0.00 0.00 177.20 174.12 1h0b n ASN 52 N 1.55 3.19 0.00 1.67 4.05 -0.00 -5.02 115.26 120.69 1h0b n ASN 52 Ca 0.07 -2.09 0.00 0.00 0.45 0.00 0.00 54.58 53.02 1h0b n ASN 52 Cb 0.65 -0.41 0.00 0.00 1.23 0.00 0.00 39.78 41.25 1h0b n ASN 52 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1h0b n GLY 53 N 1.27 2.22 0.26 8.20 0.00 -1.26 -2.59 105.19 113.30 1h0b n GLY 53 Ca 0.19 -0.41 0.12 0.00 0.00 0.00 0.00 46.02 45.93 1h0b n GLY 53 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1h0b n ASN 54 N 4.69 0.78 -4.71 1.61 3.02 -1.26 -4.85 115.26 114.54 1h0b n ASN 54 Ca 0.00 -1.41 -0.33 0.00 -0.03 0.00 0.00 54.58 52.81 1h0b n ASN 54 Cb 0.00 -0.03 -0.08 0.00 -0.61 0.00 0.00 39.78 39.06 1h0b n ASN 54 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 1h0b s ASN 55 N -1.78 5.31 0.13 6.41 0.01 -1.07 -5.09 114.94 118.87 1h0b s ASN 55 Ca 0.36 0.05 -0.30 0.00 -0.71 0.00 0.00 52.86 52.26 1h0b s ASN 55 Cb 0.18 -1.44 -0.07 0.00 0.41 0.00 0.00 41.25 40.33 1h0b s ASN 55 CO 0.29 0.29 1.22 -0.69 -1.51 0.00 0.00 177.10 176.70 1h0b s VAL 56 N -1.10 3.72 -0.10 1.60 1.01 -1.26 -4.61 120.40 119.65 1h0b s VAL 56 Ca 0.20 1.34 -0.01 0.00 0.00 0.00 0.00 61.98 63.51 1h0b s VAL 56 Cb -0.12 -3.85 -0.25 0.00 0.00 0.00 0.00 36.38 32.16 1h0b s VAL 56 CO 0.11 0.16 0.44 0.00 0.00 0.00 0.00 175.10 175.81 1h0b n ALA 57 N 3.22 1.07 -3.70 5.51 0.00 0.13 -4.21 120.51 122.53 1h0b n ALA 57 Ca 0.07 -0.65 -0.08 0.00 0.00 0.00 0.00 53.44 52.77 1h0b n ALA 57 Cb 0.45 -0.72 -0.02 0.00 0.00 0.00 0.00 19.45 19.16 1h0b n ALA 57 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1h0b s ALA 58 N -2.57 -1.25 -0.40 0.00 0.00 -1.15 -0.68 121.76 115.70 1h0b s ALA 58 Ca -0.17 -0.14 0.08 0.00 0.00 0.00 0.00 51.96 51.72 1h0b s ALA 58 Cb 0.07 0.87 0.25 0.00 0.00 0.00 0.00 23.12 24.31 1h0b s ALA 58 CO 0.78 -0.96 0.59 0.98 0.00 0.00 0.00 175.76 177.16 1h0b n TYR 59 N -0.43 -0.81 -1.73 0.00 9.36 -0.72 -0.85 117.16 121.99 1h0b n TYR 59 Ca -0.07 -3.29 -0.42 0.00 3.32 0.00 0.00 57.90 57.44 1h0b n TYR 59 Cb 0.61 -0.05 -0.03 0.00 -0.63 0.00 0.00 39.34 39.24 1h0b n TYR 59 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 1h0b n PRO 60 N 1.39 2.76 -3.91 2.98 -0.04 -1.22 -4.62 135.00 132.33 1h0b n PRO 60 Ca 0.19 0.99 -0.08 0.00 -0.04 0.00 0.00 63.50 64.56 1h0b n PRO 60 Cb 0.55 -2.82 -0.04 0.00 -0.04 0.00 0.00 33.50 31.16 1h0b n PRO 60 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1h0b s ALA 61 N 0.77 -0.77 -0.02 0.55 0.00 -0.70 -2.21 121.76 119.37 1h0b s ALA 61 Ca 0.71 -0.55 0.07 0.00 0.00 0.00 0.00 51.96 52.19 1h0b s ALA 61 Cb -0.50 0.95 -0.02 0.00 0.00 0.00 0.00 23.12 23.55 1h0b s ALA 61 CO 0.38 -0.94 -0.23 -1.50 0.00 0.00 0.00 175.76 173.46 1h0b s ILE 62 N -3.96 1.84 0.14 0.00 2.07 -0.27 -0.60 121.20 120.42 1h0b s ILE 62 Ca 0.16 -0.99 -0.03 0.00 -1.41 0.00 0.00 60.65 58.38 1h0b s ILE 62 Cb -0.03 -1.53 -0.03 0.00 0.13 0.00 0.00 42.46 40.99 1h0b s ILE 62 CO 0.07 0.52 0.11 -0.72 -1.91 0.00 0.00 174.94 173.01 1h0b s TYR 63 N -0.48 0.79 -0.09 3.50 -0.85 0.13 -1.68 117.35 118.67 1h0b s TYR 63 Ca 0.07 -1.15 0.01 0.00 -0.52 0.00 0.00 57.07 55.48 1h0b s TYR 63 Cb -0.10 -0.40 0.02 0.00 0.38 0.00 0.00 41.96 41.87 1h0b s TYR 63 CO -0.00 -0.58 -0.11 0.12 -1.52 0.00 0.00 175.55 173.47 1h0b s PHE 64 N -4.04 1.51 0.00 -3.49 5.36 -0.36 -1.92 117.98 115.04 1h0b s PHE 64 Ca 0.24 -0.65 0.00 0.00 -0.96 0.00 0.00 56.93 55.56 1h0b s PHE 64 Cb 0.07 -1.16 0.00 0.00 -0.34 0.00 0.00 43.02 41.58 1h0b s PHE 64 CO 0.02 -0.39 0.00 0.41 -1.46 0.00 0.00 175.22 173.81 1h0b n GLY 65 N 4.29 0.29 3.03 13.12 0.00 -1.26 -1.09 105.19 123.57 1h0b n GLY 65 Ca -0.19 -1.83 -0.31 0.00 0.00 0.00 0.00 46.02 43.69 1h0b n GLY 65 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1h0b s HIS 67 N 1.24 3.25 -1.43 0.00 5.04 -0.64 -4.27 115.29 118.47 1h0b s HIS 67 Ca -0.05 -0.85 -0.04 0.00 -1.54 0.00 0.00 55.06 52.58 1h0b s HIS 67 Cb -0.18 -2.78 0.03 0.00 0.04 0.00 0.00 32.58 29.69 1h0b s HIS 67 CO -0.07 -0.69 0.60 0.91 -2.34 0.00 0.00 174.74 173.16 1h0b n TRP 68 N 5.12 -1.81 0.00 3.88 8.01 -1.25 -1.48 117.44 129.91 1h0b n TRP 68 Ca -0.12 0.80 0.00 0.00 -1.31 0.00 0.00 57.50 56.87 1h0b n TRP 68 Cb 0.45 -3.84 0.00 0.00 -2.01 0.00 0.00 31.31 25.91 1h0b n TRP 68 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1h0b n GLY 69 N -1.78 3.14 3.50 6.99 0.00 -1.16 -4.33 105.19 111.56 1h0b n GLY 69 Ca -0.22 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.38 1h0b n GLY 69 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1h0b s ALA 70 N -1.68 3.02 0.13 4.61 0.00 -0.55 -4.93 121.76 122.37 1h0b s ALA 70 Ca 0.00 -1.56 -0.06 0.00 0.00 0.00 0.00 51.96 50.34 1h0b s ALA 70 Cb 0.00 -3.95 -0.06 0.00 0.00 0.00 0.00 23.12 19.12 1h0b s ALA 70 CO 0.00 -2.83 0.39 0.00 0.00 0.00 0.00 175.76 173.32 1h0b s THR 72 N -1.62 1.97 -0.07 0.00 -4.23 0.29 -4.97 115.64 107.00 1h0b s THR 72 Ca 0.40 0.00 -0.29 0.00 -1.18 0.00 0.00 61.69 60.62 1h0b s THR 72 Cb -0.12 -2.94 -0.02 0.00 1.34 0.00 0.00 72.50 70.75 1h0b s THR 72 CO 0.23 0.00 0.97 -0.94 -0.54 0.00 0.00 174.62 174.34 1h0b s SER 73 N -4.70 7.25 -1.47 3.99 1.04 -0.35 -4.25 113.70 115.21 1h0b s SER 73 Ca 0.71 1.53 -0.03 0.00 0.48 0.00 0.00 55.95 58.64 1h0b s SER 73 Cb -0.06 -2.55 0.00 0.00 0.10 0.00 0.00 66.02 63.51 1h0b s SER 73 CO 0.53 -0.37 0.19 -3.20 0.98 0.00 0.00 173.24 171.37 1h0b n ASN 74 N 4.60 0.05 0.23 7.02 5.15 -1.26 -4.65 115.26 126.40 1h0b n ASN 74 Ca 0.07 -1.20 0.12 0.00 -0.60 0.00 0.00 54.58 52.97 1h0b n ASN 74 Cb 0.50 -2.06 0.44 0.00 -0.53 0.00 0.00 39.78 38.12 1h0b n ASN 74 CO 0.00 0.00 0.00 0.77 1.40 0.00 0.00 177.26 179.43 1h0b h SER 75 N -1.88 0.00 0.00 1.20 4.64 -1.93 -3.46 113.55 112.12 1h0b h SER 75 Ca -0.66 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.66 1h0b h SER 75 Cb 1.39 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.48 1h0b h SER 75 CO 0.66 0.15 0.00 0.61 -0.87 0.00 0.00 176.83 177.38 1h0b n GLY 76 N 0.38 0.86 3.73 -0.77 0.00 -1.26 -4.94 105.19 103.19 1h0b n GLY 76 Ca 0.01 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.79 1h0b n GLY 76 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1h0b s LEU 77 N 0.00 3.51 0.52 0.99 1.43 -1.26 -4.36 118.68 119.51 1h0b s LEU 77 Ca 0.00 -0.37 -0.20 0.00 -1.03 0.00 0.00 54.13 52.54 1h0b s LEU 77 Cb 0.00 -2.09 -0.07 0.00 0.03 0.00 0.00 46.19 44.06 1h0b s LEU 77 CO 0.00 0.03 1.08 -2.16 0.23 0.00 0.00 176.35 175.53 1h0b s PRO 78 N -3.38 3.57 -0.01 1.29 0.04 -1.26 -4.87 135.00 130.37 1h0b s PRO 78 Ca 0.30 1.48 -0.02 0.00 0.04 0.00 0.00 61.00 62.81 1h0b s PRO 78 Cb -0.08 -2.05 0.00 0.00 0.04 0.00 0.00 34.50 32.41 1h0b s PRO 78 CO 0.21 -0.64 0.04 0.50 0.04 0.00 0.00 177.00 177.15 1h0b s ARG 79 N -3.27 0.08 0.38 4.56 6.06 -1.00 -4.93 118.95 120.83 1h0b s ARG 79 Ca 0.70 0.01 -0.27 0.00 -2.50 0.00 0.00 55.73 53.67 1h0b s ARG 79 Cb -0.20 0.03 -0.10 0.00 0.06 0.00 0.00 34.95 34.75 1h0b s ARG 79 CO 0.24 -0.01 1.37 1.03 -2.50 0.00 0.00 175.30 175.42 1h0b s ARG 80 N -0.10 4.09 0.28 5.12 0.52 -1.26 -0.36 118.95 127.24 1h0b s ARG 80 Ca -0.01 2.31 0.00 0.00 -0.52 0.00 0.00 55.73 57.51 1h0b s ARG 80 Cb -0.01 -2.90 0.51 0.00 0.52 0.00 0.00 34.95 33.08 1h0b s ARG 80 CO 0.00 -0.44 1.84 0.28 0.02 0.00 0.00 175.30 177.00 1h0b h VAL 81 N 2.76 0.96 0.00 3.52 2.07 -0.81 -0.93 116.25 123.81 1h0b h VAL 81 Ca -0.50 -0.35 0.00 0.00 0.82 0.00 0.00 66.70 66.67 1h0b h VAL 81 Cb 1.24 -0.16 0.00 0.00 -1.52 0.00 0.00 31.29 30.85 1h0b h VAL 81 CO 0.64 0.19 0.00 0.00 0.02 0.00 0.00 177.57 178.41 1h0b n GLN 82 N -4.60 0.08 0.00 1.57 10.64 -0.21 -1.99 117.38 122.87 1h0b n GLN 82 Ca 0.18 0.40 0.12 0.00 -1.83 0.00 0.00 57.00 55.87 1h0b n GLN 82 Cb 0.31 -1.67 0.11 0.00 -0.86 0.00 0.00 30.24 28.14 1h0b n GLN 82 CO 0.00 0.00 0.00 0.39 -1.83 0.00 0.00 177.06 175.62 1h0b n GLU 83 N -1.82 2.07 -3.30 2.61 1.02 -0.36 -4.95 120.64 115.92 1h0b n GLU 83 Ca 0.02 -1.68 -0.38 0.00 -0.02 0.00 0.00 57.16 55.09 1h0b n GLU 83 Cb 0.14 -1.47 -0.06 0.00 -0.02 0.00 0.00 31.44 30.04 1h0b n GLU 83 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1h0b s LEU 84 N -2.09 4.48 -0.06 -4.62 1.43 -0.84 -0.77 118.68 116.20 1h0b s LEU 84 Ca 0.27 1.16 0.07 0.00 -1.03 0.00 0.00 54.13 54.60 1h0b s LEU 84 Cb 0.20 -2.83 -0.10 0.00 0.03 0.00 0.00 46.19 43.49 1h0b s LEU 84 CO 0.35 0.23 0.05 -1.54 0.23 0.00 0.00 176.35 175.67 1h0b n SER 85 N 2.10 3.16 -3.66 2.29 3.41 0.19 -4.74 113.62 116.37 1h0b n SER 85 Ca -0.10 0.00 -0.11 0.00 -0.26 0.00 0.00 58.87 58.40 1h0b n SER 85 Cb 0.51 0.78 -0.08 0.00 -0.26 0.00 0.00 64.21 65.17 1h0b n SER 85 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1h0b s ASP 86 N -3.77 -0.73 -0.08 4.04 3.68 -1.06 -5.00 116.67 113.75 1h0b s ASP 86 Ca -0.04 1.29 -0.02 0.00 2.13 0.00 0.00 52.55 55.91 1h0b s ASP 86 Cb 0.03 1.24 0.04 0.00 -1.45 0.00 0.00 42.92 42.77 1h0b s ASP 86 CO 0.31 -0.22 0.04 -0.69 0.13 0.00 0.00 175.17 174.74 1h0b s VAL 87 N 0.88 0.16 0.15 1.11 1.01 -1.26 -0.72 120.40 121.73 1h0b s VAL 87 Ca -0.04 0.14 0.08 0.00 0.00 0.00 0.00 61.98 62.16 1h0b s VAL 87 Cb -0.05 -0.44 -0.04 0.00 0.00 0.00 0.00 36.38 35.84 1h0b s VAL 87 CO -0.07 0.12 -0.18 -0.13 0.00 0.00 0.00 175.10 174.84 1h0b s ARG 88 N 2.05 1.23 0.00 2.72 1.81 -0.70 -1.10 118.95 124.96 1h0b s ARG 88 Ca 0.04 -1.35 -0.21 0.00 -1.72 0.00 0.00 55.73 52.49 1h0b s ARG 88 Cb -0.13 -1.31 0.04 0.00 -0.45 0.00 0.00 34.95 33.11 1h0b s ARG 88 CO -0.05 0.27 0.47 -0.08 -0.68 0.00 0.00 175.30 175.23 1h0b s THR 89 N -1.90 0.04 0.06 0.02 -1.32 -0.91 -1.47 115.64 110.15 1h0b s THR 89 Ca 0.14 -0.31 0.04 0.00 -1.21 0.00 0.00 61.69 60.34 1h0b s THR 89 Cb -0.06 -0.87 -0.03 0.00 -1.51 0.00 0.00 72.50 70.03 1h0b s THR 89 CO 0.06 -0.17 -0.11 -0.44 -2.21 0.00 0.00 174.62 171.75 1h0b s SER 90 N -1.59 1.30 -0.21 8.08 0.01 -0.59 -0.10 113.70 120.61 1h0b s SER 90 Ca -0.09 -0.59 -0.28 0.00 1.31 0.00 0.00 55.95 56.30 1h0b s SER 90 Cb -0.02 -0.01 0.12 0.00 0.21 0.00 0.00 66.02 66.32 1h0b s SER 90 CO 0.03 -0.14 0.97 0.86 0.41 0.00 0.00 173.24 175.37 1h0b s TRP 91 N -1.34 -0.46 -0.07 2.43 -0.00 -0.69 -2.00 118.94 116.81 1h0b s TRP 91 Ca -0.06 0.97 0.01 0.00 -0.00 0.00 0.00 56.10 57.03 1h0b s TRP 91 Cb -0.10 0.40 0.02 0.00 -0.00 0.00 0.00 33.47 33.79 1h0b s TRP 91 CO 0.01 -0.32 -0.08 0.99 -0.00 0.00 0.00 176.95 177.56 1h0b s THR 92 N -0.45 0.87 0.13 5.86 2.01 -0.04 -1.28 115.64 122.74 1h0b s THR 92 Ca -0.00 -0.27 0.09 0.00 0.31 0.00 0.00 61.69 61.82 1h0b s THR 92 Cb -0.03 -0.86 -0.04 0.00 0.01 0.00 0.00 72.50 71.58 1h0b s THR 92 CO -0.01 0.31 -0.17 -1.48 -0.69 0.00 0.00 174.62 172.58 1h0b s LEU 93 N 1.16 2.72 -0.30 4.42 0.05 0.34 -1.08 118.68 125.98 1h0b s LEU 93 Ca -0.06 -0.58 -0.02 0.00 0.05 0.00 0.00 54.13 53.52 1h0b s LEU 93 Cb -0.14 -1.54 0.05 0.00 -2.05 0.00 0.00 46.19 42.51 1h0b s LEU 93 CO -0.02 0.17 0.01 -0.89 -0.55 0.00 0.00 176.35 175.07 1h0b s THR 94 N -1.24 3.07 0.68 5.48 2.01 -0.26 -4.78 115.64 120.59 1h0b s THR 94 Ca 0.19 -1.35 -0.11 0.00 0.31 0.00 0.00 61.69 60.73 1h0b s THR 94 Cb -0.10 -2.76 0.00 0.00 0.01 0.00 0.00 72.50 69.65 1h0b s THR 94 CO 0.11 -0.11 1.07 -2.16 -0.69 0.00 0.00 174.62 172.84 1h0b s PRO 95 N 1.27 3.04 0.31 4.92 0.04 -1.26 -2.65 135.00 140.67 1h0b s PRO 95 Ca -0.05 0.51 0.09 0.00 0.04 0.00 0.00 61.00 61.59 1h0b s PRO 95 Cb -0.20 -2.05 -0.06 0.00 0.04 0.00 0.00 34.50 32.23 1h0b s PRO 95 CO -0.01 -0.90 -0.11 0.96 0.04 0.00 0.00 177.00 176.98 1h0b s ILE 96 N -3.30 2.15 -0.95 0.56 -4.36 -1.26 -4.90 121.20 109.14 1h0b s ILE 96 Ca 0.57 -2.23 0.24 0.00 -0.26 0.00 0.00 60.65 58.97 1h0b s ILE 96 Cb -0.11 -2.51 -0.06 0.00 1.25 0.00 0.00 42.46 41.03 1h0b s ILE 96 CO 0.52 -0.28 1.26 0.35 0.24 0.00 0.00 174.94 177.03 1h0b n THR 97 N -0.70 0.03 -4.01 8.37 -2.24 -1.26 -4.96 114.28 109.51 1h0b n THR 97 Ca -0.05 -0.03 -0.25 0.00 -2.27 0.00 0.00 64.05 61.44 1h0b n THR 97 Cb 0.63 0.40 -0.04 0.00 -2.10 0.00 0.00 70.33 69.21 1h0b n THR 97 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1h0b s THR 98 N -3.03 2.05 0.07 4.28 -4.23 -1.26 -4.97 115.64 108.55 1h0b s THR 98 Ca 0.09 -1.59 0.00 0.00 -1.18 0.00 0.00 61.69 59.01 1h0b s THR 98 Cb 0.17 -2.64 0.00 0.00 1.34 0.00 0.00 72.50 71.37 1h0b s THR 98 CO 0.75 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 175.44 1h0b n GLY 99 N -1.47 -1.63 3.08 3.99 0.00 -1.26 -4.76 105.19 103.13 1h0b n GLY 99 Ca -0.02 -1.45 -0.32 0.00 0.00 0.00 0.00 46.02 44.23 1h0b n GLY 99 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1h0b s ARG 100 N -1.59 2.29 0.28 1.61 0.52 -0.41 -3.48 118.95 118.17 1h0b s ARG 100 Ca 0.00 -1.32 -0.20 0.00 -0.52 0.00 0.00 55.73 53.69 1h0b s ARG 100 Cb 0.00 -2.88 0.04 0.00 0.52 0.00 0.00 34.95 32.63 1h0b s ARG 100 CO 0.00 -0.55 0.81 1.67 0.02 0.00 0.00 175.30 177.25 1h0b s TRP 101 N 1.12 -0.07 0.17 -0.53 1.48 -0.96 -1.42 118.94 118.73 1h0b s TRP 101 Ca -0.08 -0.42 0.00 0.00 -1.06 0.00 0.00 56.10 54.54 1h0b s TRP 101 Cb -0.20 0.73 -0.04 0.00 -1.16 0.00 0.00 33.47 32.80 1h0b s TRP 101 CO -0.05 -1.23 0.05 0.54 -4.06 0.00 0.00 176.95 172.19 1h0b s ASN 102 N -3.01 0.74 -0.27 -2.66 2.20 -0.80 -1.12 114.94 110.03 1h0b s ASN 102 Ca 0.13 -1.23 0.02 0.00 -0.94 0.00 0.00 52.86 50.84 1h0b s ASN 102 Cb -0.05 0.22 0.07 0.00 -2.00 0.00 0.00 41.25 39.49 1h0b s ASN 102 CO 0.07 -0.68 -0.05 0.00 -2.94 0.00 0.00 177.10 173.51 1h0b s ALA 103 N -3.88 2.33 0.02 3.54 0.00 0.71 -2.70 121.76 121.79 1h0b s ALA 103 Ca 0.27 -1.74 -0.16 0.00 0.00 0.00 0.00 51.96 50.33 1h0b s ALA 103 Cb 0.07 -1.60 0.03 0.00 0.00 0.00 0.00 23.12 21.62 1h0b s ALA 103 CO 0.05 -1.31 0.35 0.00 0.00 0.00 0.00 175.76 174.85 1h0b s ALA 104 N 1.21 -0.84 0.36 0.00 0.00 -0.33 -0.87 121.76 121.29 1h0b s ALA 104 Ca -0.03 0.22 -0.20 0.00 0.00 0.00 0.00 51.96 51.95 1h0b s ALA 104 Cb -0.19 0.25 -0.10 0.00 0.00 0.00 0.00 23.12 23.08 1h0b s ALA 104 CO -0.07 -0.38 0.86 0.71 0.00 0.00 0.00 175.76 176.87 1h0b s TYR 105 N -2.16 3.43 -0.17 0.00 1.51 -0.35 -2.15 117.35 117.46 1h0b s TYR 105 Ca -0.08 1.49 -0.02 0.00 -1.01 0.00 0.00 57.07 57.45 1h0b s TYR 105 Cb -0.02 -2.74 0.05 0.00 -0.11 0.00 0.00 41.96 39.14 1h0b s TYR 105 CO -0.01 0.05 0.01 0.34 -1.11 0.00 0.00 175.55 174.84 1h0b s ASP 106 N -2.06 2.71 -0.15 2.29 2.15 0.68 -2.27 116.67 120.02 1h0b s ASP 106 Ca 0.56 -0.69 0.01 0.00 0.43 0.00 0.00 52.55 52.86 1h0b s ASP 106 Cb -0.12 -0.65 0.00 0.00 -0.30 0.00 0.00 42.92 41.86 1h0b s ASP 106 CO 0.17 -0.26 -0.17 -0.63 -0.17 0.00 0.00 175.17 174.10 1h0b s ILE 107 N 1.82 2.48 -0.12 4.11 1.01 0.23 -1.11 121.20 129.61 1h0b s ILE 107 Ca 0.00 -0.84 -0.05 0.00 0.00 0.00 0.00 60.65 59.77 1h0b s ILE 107 Cb -0.16 -2.03 -0.04 0.00 0.01 0.00 0.00 42.46 40.24 1h0b s ILE 107 CO -0.07 0.53 0.06 0.26 0.00 0.00 0.00 174.94 175.71 1h0b s TRP 108 N 0.81 3.31 0.06 3.97 0.52 -0.78 -0.54 118.94 126.29 1h0b s TRP 108 Ca -0.06 0.27 0.04 0.00 0.02 0.00 0.00 56.10 56.37 1h0b s TRP 108 Cb -0.15 -1.89 -0.03 0.00 -1.15 0.00 0.00 33.47 30.25 1h0b s TRP 108 CO -0.01 0.49 -0.11 -0.06 0.02 0.00 0.00 176.95 177.28 1h0b s PHE 109 N -0.67 0.93 0.08 -1.98 0.40 -0.00 -0.77 117.98 115.96 1h0b s PHE 109 Ca 0.12 -0.48 -0.26 0.00 -0.60 0.00 0.00 56.93 55.71 1h0b s PHE 109 Cb -0.12 -0.54 0.08 0.00 0.51 0.00 0.00 43.02 42.95 1h0b s PHE 109 CO 0.02 -0.02 0.67 -1.54 0.70 0.00 0.00 175.22 175.06 1h0b s SER 110 N -1.64 -0.55 0.56 1.36 1.04 -0.66 -1.23 113.70 112.58 1h0b s SER 110 Ca -0.06 0.14 0.35 0.00 0.48 0.00 0.00 55.95 56.86 1h0b s SER 110 Cb -0.10 0.54 1.51 0.00 0.10 0.00 0.00 66.02 68.07 1h0b s SER 110 CO 0.01 -0.83 2.03 -0.65 0.98 0.00 0.00 173.24 174.79 1h0b h PRO 111 N 2.20 0.00 -6.05 4.02 0.11 -1.87 0.21 132.00 130.63 1h0b h PRO 111 Ca -0.30 0.00 -0.58 0.00 0.11 0.00 0.00 66.00 65.22 1h0b h PRO 111 Cb 1.26 0.00 -0.11 0.00 0.11 0.00 0.00 31.00 32.27 1h0b h PRO 111 CO 0.37 0.00 -0.63 0.14 -0.21 0.00 0.00 178.00 177.67 1h0b s VAL 112 N -3.73 2.69 -0.47 3.15 -7.23 -1.26 -4.72 120.40 108.83 1h0b s VAL 112 Ca 0.00 -1.99 0.24 0.00 -1.81 0.00 0.00 61.98 58.42 1h0b s VAL 112 Cb 0.09 -2.77 0.27 0.00 0.56 0.00 0.00 36.38 34.53 1h0b s VAL 112 CO 0.52 -0.23 1.55 0.71 -0.31 0.00 0.00 175.10 177.34 1h0b h THR 113 N 1.84 0.00 -3.40 5.32 1.35 -1.99 -3.45 112.91 112.57 1h0b h THR 113 Ca -0.43 -0.89 -0.60 0.00 -0.55 0.00 0.00 66.41 63.95 1h0b h THR 113 Cb 1.25 1.80 -0.11 0.00 -1.73 0.00 0.00 68.15 69.36 1h0b h THR 113 CO 0.66 0.00 -0.28 0.21 -0.25 0.00 0.00 175.52 175.86 1h0b s ASN 114 N -5.71 6.42 -0.09 5.36 3.84 -1.26 -4.84 114.94 118.65 1h0b s ASN 114 Ca 0.07 0.49 0.13 0.00 0.21 0.00 0.00 52.86 53.76 1h0b s ASN 114 Cb 0.07 -2.20 0.25 0.00 -0.55 0.00 0.00 41.25 38.82 1h0b s ASN 114 CO 0.68 0.01 1.15 -1.54 -2.79 0.00 0.00 177.10 174.61 1h0b n SER 115 N 4.04 2.50 -0.26 -4.21 3.41 -1.26 -4.77 113.62 113.07 1h0b n SER 115 Ca -0.10 -2.73 0.12 0.00 -0.26 0.00 0.00 58.87 55.89 1h0b n SER 115 Cb 0.51 -0.32 0.38 0.00 -0.26 0.00 0.00 64.21 64.52 1h0b n SER 115 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 1h0b h GLY 116 N 0.37 1.16 -3.29 5.00 0.00 -1.92 -1.56 103.07 102.84 1h0b h GLY 116 Ca 0.00 -0.30 -0.42 0.00 0.00 0.00 0.00 47.33 46.62 1h0b h GLY 116 CO 0.03 0.10 0.35 -2.01 0.00 0.00 0.00 176.54 175.01 1h0b n ASN 117 N -4.55 3.76 0.00 0.19 5.15 -1.26 -4.70 115.26 113.85 1h0b n ASN 117 Ca 0.17 -3.71 0.00 0.00 -0.60 0.00 0.00 54.58 50.44 1h0b n ASN 117 Cb 0.45 -0.76 0.00 0.00 -0.53 0.00 0.00 39.78 38.94 1h0b n ASN 117 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1h0b n GLY 118 N -1.10 -1.60 2.36 8.20 0.00 -0.60 -4.61 105.19 107.84 1h0b n GLY 118 Ca 0.50 -1.61 -0.13 0.00 0.00 0.00 0.00 46.02 44.78 1h0b n GLY 118 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1h0b n TYR 119 N 0.00 2.07 -1.71 1.61 4.02 -1.26 -4.59 117.16 117.30 1h0b n TYR 119 Ca 0.00 -2.17 -0.43 0.00 -0.01 0.00 0.00 57.90 55.29 1h0b n TYR 119 Cb 0.00 -0.29 -0.02 0.00 -0.02 0.00 0.00 39.34 39.01 1h0b n TYR 119 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 1h0b n SER 120 N -0.66 3.28 0.00 7.72 2.88 -1.26 -1.03 113.62 124.55 1h0b n SER 120 Ca 0.28 1.15 0.00 0.00 -1.33 0.00 0.00 58.87 58.97 1h0b n SER 120 Cb 0.90 -1.51 0.00 0.00 -0.75 0.00 0.00 64.21 62.85 1h0b n SER 120 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1h0b n GLY 121 N 2.04 0.67 0.00 0.46 0.00 0.29 -4.81 105.19 103.83 1h0b n GLY 121 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 1h0b n GLY 121 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1h0b n GLY 122 N -2.67 2.60 3.26 -0.02 0.00 -0.20 -4.59 105.19 103.57 1h0b n GLY 122 Ca 0.00 -1.07 -0.14 0.00 0.00 0.00 0.00 46.02 44.81 1h0b n GLY 122 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1h0b s ALA 123 N -2.55 -0.88 -0.19 4.61 0.00 -0.37 -1.24 121.76 121.14 1h0b s ALA 123 Ca 0.00 0.49 0.01 0.00 0.00 0.00 0.00 51.96 52.46 1h0b s ALA 123 Cb 0.00 -0.01 0.04 0.00 0.00 0.00 0.00 23.12 23.15 1h0b s ALA 123 CO 0.00 -0.26 -0.12 -2.00 0.00 0.00 0.00 175.76 173.38 1h0b s GLU 124 N -1.14 2.24 -0.26 0.00 2.12 0.11 -0.82 118.70 120.95 1h0b s GLU 124 Ca -0.12 -0.85 -0.05 0.00 0.36 0.00 0.00 54.97 54.31 1h0b s GLU 124 Cb -0.05 -2.44 0.00 0.00 0.26 0.00 0.00 34.13 31.91 1h0b s GLU 124 CO 0.04 -0.38 0.03 -1.17 -0.54 0.00 0.00 175.26 173.24 1h0b s LEU 125 N 1.36 3.44 0.10 2.70 0.20 0.30 -0.62 118.68 126.17 1h0b s LEU 125 Ca -0.00 -0.57 0.05 0.00 0.69 0.00 0.00 54.13 54.29 1h0b s LEU 125 Cb -0.16 -1.82 -0.04 0.00 -0.43 0.00 0.00 46.19 43.75 1h0b s LEU 125 CO -0.09 -0.11 0.01 -0.04 -0.29 0.00 0.00 176.35 175.83 1h0b s MET 126 N 1.49 2.58 -0.28 1.98 -1.94 0.17 -0.60 119.30 122.70 1h0b s MET 126 Ca 0.04 -0.85 -0.01 0.00 -1.71 0.00 0.00 55.69 53.16 1h0b s MET 126 Cb -0.16 -2.55 0.09 0.00 2.01 0.00 0.00 34.83 34.22 1h0b s MET 126 CO 0.00 0.53 0.07 0.42 -0.01 0.00 0.00 175.02 176.04 1h0b s ILE 127 N -1.37 0.88 -0.25 2.53 1.01 -0.96 -0.31 121.20 122.72 1h0b s ILE 127 Ca 0.26 -1.23 -0.25 0.00 0.00 0.00 0.00 60.65 59.44 1h0b s ILE 127 Cb -0.11 -1.57 -0.00 0.00 0.01 0.00 0.00 42.46 40.79 1h0b s ILE 127 CO 0.19 -0.53 0.84 0.26 0.00 0.00 0.00 174.94 175.70 1h0b s TRP 128 N 1.64 3.29 -0.20 3.97 0.52 0.45 -1.21 118.94 127.40 1h0b s TRP 128 Ca 0.06 1.11 0.11 0.00 0.02 0.00 0.00 56.10 57.41 1h0b s TRP 128 Cb -0.17 -3.11 -0.20 0.00 -1.15 0.00 0.00 33.47 28.84 1h0b s TRP 128 CO -0.20 -0.44 -0.04 1.28 0.02 0.00 0.00 176.95 177.57 1h0b n LEU 129 N 6.08 1.14 -3.80 2.99 4.77 -0.05 -2.30 117.00 125.84 1h0b n LEU 129 Ca 0.06 -0.05 -0.10 0.00 -0.03 0.00 0.00 56.01 55.89 1h0b n LEU 129 Cb 0.47 -0.03 -0.05 0.00 -2.33 0.00 0.00 43.42 41.48 1h0b n LEU 129 CO 0.48 0.62 0.11 0.21 -1.33 0.00 0.00 177.39 177.49 1h0b s ASN 130 N -5.66 -0.11 0.08 -1.43 3.84 -1.13 -1.27 114.94 109.26 1h0b s ASN 130 Ca -0.18 -0.59 -0.27 0.00 0.21 0.00 0.00 52.86 52.03 1h0b s ASN 130 Cb 0.06 0.48 0.09 0.00 -0.55 0.00 0.00 41.25 41.33 1h0b s ASN 130 CO 0.67 -0.92 1.06 -1.66 -2.79 0.00 0.00 177.10 173.47 1h0b s TRP 131 N -3.89 -0.12 0.05 0.43 -2.14 -1.26 -0.21 118.94 111.81 1h0b s TRP 131 Ca 0.10 -0.10 -0.25 0.00 2.66 0.00 0.00 56.10 58.51 1h0b s TRP 131 Cb 0.02 0.60 0.06 0.00 -3.10 0.00 0.00 33.47 31.05 1h0b s TRP 131 CO -0.05 -0.62 0.58 1.21 -2.66 0.00 0.00 176.95 175.42 1h0b s ASN 132 N -2.88 -0.53 0.00 -2.66 3.84 -0.27 -4.98 114.94 107.46 1h0b s ASN 132 Ca 0.12 0.26 0.00 0.00 0.21 0.00 0.00 52.86 53.45 1h0b s ASN 132 Cb 0.01 0.53 0.00 0.00 -0.55 0.00 0.00 41.25 41.24 1h0b s ASN 132 CO -0.01 -0.76 0.00 0.61 -2.79 0.00 0.00 177.10 174.15 1h0b n GLY 133 N 0.31 0.53 2.26 1.21 0.00 -1.23 -2.26 105.19 106.00 1h0b n GLY 133 Ca -0.18 -0.55 -0.07 0.00 0.00 0.00 0.00 46.02 45.22 1h0b n GLY 133 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1h0b n GLY 134 N -2.82 0.90 3.77 -0.02 0.00 -1.26 -4.89 105.19 100.87 1h0b n GLY 134 Ca 0.00 -0.58 -0.37 0.00 0.00 0.00 0.00 46.02 45.07 1h0b n GLY 134 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1h0b s VAL 135 N -2.20 3.18 0.10 1.61 -7.23 -1.26 -5.05 120.40 109.55 1h0b s VAL 135 Ca 0.00 0.87 0.06 0.00 -1.81 0.00 0.00 61.98 61.10 1h0b s VAL 135 Cb 0.00 -3.44 -0.03 0.00 0.56 0.00 0.00 36.38 33.47 1h0b s VAL 135 CO 0.00 -0.02 -0.15 -0.04 -0.31 0.00 0.00 175.10 174.58 1h0b s MET 136 N -2.72 0.97 0.89 4.82 -1.94 -1.26 -4.95 119.30 115.11 1h0b s MET 136 Ca 0.64 -1.14 -0.11 0.00 -1.71 0.00 0.00 55.69 53.36 1h0b s MET 136 Cb -0.27 -0.94 0.13 0.00 2.01 0.00 0.00 34.83 35.76 1h0b s MET 136 CO 0.33 0.19 1.09 -2.14 -0.01 0.00 0.00 175.02 174.49 1h0b s PRO 137 N -2.30 1.29 0.85 2.03 0.02 -1.26 -5.02 135.00 130.60 1h0b s PRO 137 Ca 0.05 0.92 -0.12 0.00 0.02 0.00 0.00 61.00 61.87 1h0b s PRO 137 Cb -0.07 -1.80 0.10 0.00 0.02 0.00 0.00 34.50 32.75 1h0b s PRO 137 CO 0.03 -2.25 1.16 0.20 -0.33 0.00 0.00 177.00 175.81 1h0b s GLY 138 N -3.33 1.59 0.00 0.52 0.00 -1.26 -4.88 107.32 99.97 1h0b s GLY 138 Ca 0.64 -0.57 0.00 0.00 0.00 0.00 0.00 44.72 44.79 1h0b s GLY 138 CO 0.57 -0.06 0.00 0.61 0.00 0.00 0.00 173.10 174.23 1h0b n GLY 139 N -2.80 1.08 3.10 0.20 0.00 -1.26 -4.34 105.19 101.16 1h0b n GLY 139 Ca 0.07 -0.74 -0.11 0.00 0.00 0.00 0.00 46.02 45.24 1h0b n GLY 139 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1h0b s SER 140 N -4.00 0.83 -0.29 1.61 1.04 -0.80 -4.90 113.70 107.19 1h0b s SER 140 Ca 0.00 -0.79 -0.29 0.00 0.48 0.00 0.00 55.95 55.35 1h0b s SER 140 Cb 0.00 0.09 -0.00 0.00 0.10 0.00 0.00 66.02 66.21 1h0b s SER 140 CO 0.00 -0.38 1.31 -0.60 0.98 0.00 0.00 173.24 174.55 1h0b s ARG 141 N -2.80 3.92 -0.01 4.02 3.52 -1.26 -1.40 118.95 124.94 1h0b s ARG 141 Ca 0.00 1.28 0.22 0.00 -0.13 0.00 0.00 55.73 57.10 1h0b s ARG 141 Cb -0.01 -3.88 -0.28 0.00 -1.56 0.00 0.00 34.95 29.21 1h0b s ARG 141 CO -0.03 -1.11 0.64 1.33 -0.81 0.00 0.00 175.30 175.32 1h0b n VAL 142 N 6.18 0.02 -3.90 7.11 0.24 0.53 -4.98 118.33 123.52 1h0b n VAL 142 Ca 0.15 -0.34 -0.03 0.00 -2.04 0.00 0.00 64.34 62.08 1h0b n VAL 142 Cb 0.46 0.31 0.02 0.00 -1.47 0.00 0.00 33.84 33.16 1h0b n VAL 142 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1h0b s ALA 143 N -3.34 -1.62 -0.03 2.33 0.00 -1.16 -5.02 121.76 112.91 1h0b s ALA 143 Ca -0.02 -0.36 -0.00 0.00 0.00 0.00 0.00 51.96 51.57 1h0b s ALA 143 Cb 0.15 0.78 0.03 0.00 0.00 0.00 0.00 23.12 24.08 1h0b s ALA 143 CO 0.89 -1.07 0.02 0.99 0.00 0.00 0.00 175.76 176.59 1h0b s THR 144 N -2.10 0.09 0.05 0.00 2.01 -1.26 -0.40 115.64 114.03 1h0b s THR 144 Ca 0.23 0.17 0.01 0.00 0.31 0.00 0.00 61.69 62.41 1h0b s THR 144 Cb -0.03 -0.22 -0.03 0.00 0.01 0.00 0.00 72.50 72.23 1h0b s THR 144 CO 0.05 0.14 -0.06 0.54 -0.69 0.00 0.00 174.62 174.61 1h0b s VAL 145 N 1.25 0.43 -0.31 3.82 0.11 -0.21 -4.98 120.40 120.51 1h0b s VAL 145 Ca -0.07 -1.29 -0.09 0.00 -2.93 0.00 0.00 61.98 57.60 1h0b s VAL 145 Cb -0.13 -0.84 0.00 0.00 -1.53 0.00 0.00 36.38 33.87 1h0b s VAL 145 CO -0.02 -0.58 0.14 -1.61 -3.33 0.00 0.00 175.10 169.69 1h0b s GLU 146 N -2.27 3.23 0.01 1.54 2.02 -1.26 -0.49 118.70 121.48 1h0b s GLU 146 Ca -0.05 -0.79 0.00 0.00 0.02 0.00 0.00 54.97 54.15 1h0b s GLU 146 Cb -0.05 -3.52 -0.01 0.00 0.10 0.00 0.00 34.13 30.65 1h0b s GLU 146 CO -0.02 -0.45 -0.02 -0.51 0.02 0.00 0.00 175.26 174.28 1h0b s LEU 147 N 1.58 2.11 -1.62 1.80 1.43 -0.36 -4.89 118.68 118.72 1h0b s LEU 147 Ca 0.04 -0.24 -0.16 0.00 -1.03 0.00 0.00 54.13 52.74 1h0b s LEU 147 Cb -0.17 0.02 0.12 0.00 0.03 0.00 0.00 46.19 46.19 1h0b s LEU 147 CO 0.05 -0.13 0.89 0.00 0.23 0.00 0.00 176.35 177.39 1h0b n ALA 148 N 2.38 -1.27 -1.33 4.21 0.00 -1.26 -1.60 120.51 121.64 1h0b n ALA 148 Ca -0.18 0.09 -0.08 0.00 0.00 0.00 0.00 53.44 53.28 1h0b n ALA 148 Cb 0.58 -3.98 -0.03 0.00 0.00 0.00 0.00 19.45 16.01 1h0b n ALA 148 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1h0b n GLY 149 N -1.54 0.88 3.40 0.00 0.00 -1.26 -4.98 105.19 101.69 1h0b n GLY 149 Ca 0.06 -0.68 -0.10 0.00 0.00 0.00 0.00 46.02 45.31 1h0b n GLY 149 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1h0b s ALA 150 N -2.30 -0.08 -0.14 4.61 0.00 -0.63 -5.16 121.76 118.06 1h0b s ALA 150 Ca 0.00 -0.86 -0.07 0.00 0.00 0.00 0.00 51.96 51.03 1h0b s ALA 150 Cb 0.00 0.94 -0.04 0.00 0.00 0.00 0.00 23.12 24.02 1h0b s ALA 150 CO 0.00 -0.71 0.12 0.99 0.00 0.00 0.00 175.76 176.16 1h0b s THR 151 N -3.98 5.29 -0.01 0.00 2.01 -1.26 -1.22 115.64 116.47 1h0b s THR 151 Ca 0.19 0.13 0.02 0.00 0.31 0.00 0.00 61.69 62.35 1h0b s THR 151 Cb 0.02 -3.33 -0.00 0.00 0.01 0.00 0.00 72.50 69.20 1h0b s THR 151 CO 0.02 0.57 -0.08 0.26 -0.69 0.00 0.00 174.62 174.70 1h0b s TRP 152 N -0.60 0.76 0.10 4.92 0.52 0.36 -1.98 118.94 123.02 1h0b s TRP 152 Ca 0.12 -0.15 -0.25 0.00 0.02 0.00 0.00 56.10 55.85 1h0b s TRP 152 Cb -0.12 -0.50 -0.07 0.00 -1.15 0.00 0.00 33.47 31.64 1h0b s TRP 152 CO 0.02 -0.03 0.76 -1.21 0.02 0.00 0.00 176.95 176.52 1h0b s GLU 153 N -0.13 4.52 -0.28 4.98 2.02 0.11 -1.04 118.70 128.87 1h0b s GLU 153 Ca 0.02 1.10 -0.07 0.00 0.02 0.00 0.00 54.97 56.04 1h0b s GLU 153 Cb -0.04 -3.31 0.00 0.00 0.10 0.00 0.00 34.13 30.88 1h0b s GLU 153 CO -0.00 0.43 0.07 0.08 0.02 0.00 0.00 175.26 175.86 1h0b s VAL 154 N -0.61 4.00 -0.03 2.63 1.01 0.46 -1.06 120.40 126.80 1h0b s VAL 154 Ca 0.37 -0.59 0.01 0.00 0.00 0.00 0.00 61.98 61.77 1h0b s VAL 154 Cb -0.22 -3.02 -0.03 0.00 0.00 0.00 0.00 36.38 33.11 1h0b s VAL 154 CO 0.24 0.14 -0.03 0.26 0.00 0.00 0.00 175.10 175.72 1h0b s TRP 155 N 1.52 3.03 0.01 5.22 0.52 0.63 -0.35 118.94 129.52 1h0b s TRP 155 Ca 0.03 0.07 0.00 0.00 0.02 0.00 0.00 56.10 56.23 1h0b s TRP 155 Cb -0.17 -1.69 -0.01 0.00 -1.15 0.00 0.00 33.47 30.45 1h0b s TRP 155 CO 0.02 0.42 -0.03 -0.47 0.02 0.00 0.00 176.95 176.91 1h0b s TYR 156 N -0.97 0.25 -0.09 -1.98 5.04 -0.49 -0.96 117.35 118.15 1h0b s TYR 156 Ca 0.16 -0.31 -0.08 0.00 -2.44 0.00 0.00 57.07 54.40 1h0b s TYR 156 Cb -0.11 -0.17 0.03 0.00 0.35 0.00 0.00 41.96 42.06 1h0b s TYR 156 CO 0.06 -0.10 0.24 0.00 -1.34 0.00 0.00 175.55 174.41 1h0b s ALA 157 N -0.85 -0.58 -0.70 3.97 0.00 -0.53 -1.90 121.76 121.17 1h0b s ALA 157 Ca -0.08 0.76 -0.15 0.00 0.00 0.00 0.00 51.96 52.49 1h0b s ALA 157 Cb -0.06 -0.46 0.18 0.00 0.00 0.00 0.00 23.12 22.78 1h0b s ALA 157 CO -0.00 -0.14 0.65 0.34 0.00 0.00 0.00 175.76 176.61 1h0b s ASP 158 N 0.42 6.50 0.00 0.00 2.15 -1.26 -1.47 116.67 123.01 1h0b s ASP 158 Ca -0.02 -2.27 0.00 0.00 0.43 0.00 0.00 52.55 50.69 1h0b s ASP 158 Cb -0.04 -2.21 0.00 0.00 -0.30 0.00 0.00 42.92 40.37 1h0b s ASP 158 CO -0.02 -0.71 0.00 0.79 -0.17 0.00 0.00 175.17 175.06 1h0b n TRP 159 N 4.60 0.00 0.25 -5.34 8.01 -1.26 -4.96 117.44 118.74 1h0b n TRP 159 Ca 0.01 0.00 0.15 0.00 -1.31 0.00 0.00 57.50 56.35 1h0b n TRP 159 Cb 0.44 0.00 0.74 0.00 -2.01 0.00 0.00 31.31 30.48 1h0b n TRP 159 CO 0.00 0.00 0.00 -0.44 -1.01 0.00 0.00 177.69 176.24 1h0b h ASP 160 N 0.00 0.00 -5.12 -0.99 3.45 -1.99 -3.41 116.42 108.37 1h0b h ASP 160 Ca 0.00 0.00 -0.11 0.00 0.43 0.00 0.00 57.03 57.35 1h0b h ASP 160 Cb 0.00 0.00 -0.16 0.00 -0.56 0.00 0.00 39.33 38.61 1h0b h ASP 160 CO 0.00 0.00 -0.45 -1.66 -1.57 0.00 0.00 179.24 175.56 1h0b s TRP 161 N -3.68 0.17 -0.06 4.55 -2.14 -1.26 -0.55 118.94 115.98 1h0b s TRP 161 Ca -0.02 -0.51 -0.30 0.00 2.66 0.00 0.00 56.10 57.94 1h0b s TRP 161 Cb 0.09 -0.10 -0.04 0.00 -3.10 0.00 0.00 33.47 30.31 1h0b s TRP 161 CO 0.30 -0.45 1.34 -0.80 -2.66 0.00 0.00 176.95 174.69 1h0b s ASN 162 N -2.43 6.90 -0.27 -2.66 0.02 -0.37 -4.75 114.94 111.39 1h0b s ASN 162 Ca -0.01 1.95 -0.10 0.00 -1.02 0.00 0.00 52.86 53.69 1h0b s ASN 162 Cb 0.02 -2.55 -0.04 0.00 0.02 0.00 0.00 41.25 38.69 1h0b s ASN 162 CO -0.07 -0.71 0.15 -0.47 0.02 0.00 0.00 177.10 176.02 1h0b s TYR 163 N 2.77 3.18 -0.12 2.20 5.04 -0.54 0.07 117.35 129.93 1h0b s TYR 163 Ca 0.61 -0.06 0.00 0.00 -2.44 0.00 0.00 57.07 55.19 1h0b s TYR 163 Cb -0.28 -2.33 0.02 0.00 0.35 0.00 0.00 41.96 39.72 1h0b s TYR 163 CO 0.23 -0.22 -0.12 0.42 -1.34 0.00 0.00 175.55 174.52 1h0b s ILE 164 N 1.71 1.31 -0.12 3.14 1.09 0.21 -1.45 121.20 127.09 1h0b s ILE 164 Ca 0.07 -0.48 0.02 0.00 -1.10 0.00 0.00 60.65 59.15 1h0b s ILE 164 Cb -0.16 -1.26 0.01 0.00 -1.06 0.00 0.00 42.46 40.00 1h0b s ILE 164 CO 0.09 0.41 -0.17 0.00 -0.10 0.00 0.00 174.94 175.17 1h0b s ALA 165 N 1.44 1.84 -0.36 9.38 0.00 -0.13 0.44 121.76 134.38 1h0b s ALA 165 Ca 0.02 -0.83 -0.11 0.00 0.00 0.00 0.00 51.96 51.04 1h0b s ALA 165 Cb -0.13 -0.87 0.01 0.00 0.00 0.00 0.00 23.12 22.13 1h0b s ALA 165 CO -0.07 -0.05 0.20 0.71 0.00 0.00 0.00 175.76 176.55 1h0b s TYR 166 N 0.92 3.22 -0.21 0.00 1.51 0.57 -0.27 117.35 123.10 1h0b s TYR 166 Ca -0.07 -0.77 -0.06 0.00 -1.01 0.00 0.00 57.07 55.15 1h0b s TYR 166 Cb -0.15 -2.43 -0.03 0.00 -0.11 0.00 0.00 41.96 39.24 1h0b s TYR 166 CO -0.01 -0.57 0.04 0.50 -1.11 0.00 0.00 175.55 174.40 1h0b s ARG 167 N 1.59 3.72 0.30 -0.62 3.52 -0.22 -0.41 118.95 126.82 1h0b s ARG 167 Ca 0.03 -0.46 -0.29 0.00 -0.13 0.00 0.00 55.73 54.88 1h0b s ARG 167 Cb -0.18 -3.21 -0.11 0.00 -1.56 0.00 0.00 34.95 29.89 1h0b s ARG 167 CO 0.07 -0.00 1.50 0.50 -0.81 0.00 0.00 175.30 176.56 1h0b s ARG 168 N 1.09 4.18 0.51 5.12 3.52 -0.97 0.05 118.95 132.45 1h0b s ARG 168 Ca 0.03 2.46 0.19 0.00 -0.13 0.00 0.00 55.73 58.29 1h0b s ARG 168 Cb -0.14 -3.04 1.29 0.00 -1.56 0.00 0.00 34.95 31.50 1h0b s ARG 168 CO 0.03 -0.51 2.10 1.79 -0.81 0.00 0.00 175.30 177.90 1h0b h THR 169 N 3.33 0.91 -3.94 4.11 1.35 -1.77 -3.41 112.91 113.48 1h0b h THR 169 Ca -0.48 -0.31 -0.40 0.00 -0.55 0.00 0.00 66.41 64.68 1h0b h THR 169 Cb 1.22 1.17 -0.29 0.00 -1.73 0.00 0.00 68.15 68.52 1h0b h THR 169 CO 0.75 0.08 -0.78 0.42 -0.25 0.00 0.00 175.52 175.74 1h0b s THR 170 N -4.71 0.70 0.75 6.82 -4.23 -1.26 -5.12 115.64 108.58 1h0b s THR 170 Ca -0.04 -0.35 -0.14 0.00 -1.18 0.00 0.00 61.69 59.98 1h0b s THR 170 Cb 0.16 -0.60 0.05 0.00 1.34 0.00 0.00 72.50 73.44 1h0b s THR 170 CO 0.65 0.21 1.16 -2.84 -0.54 0.00 0.00 174.62 173.26 1h0b s PRO 171 N -0.05 2.13 0.10 3.99 0.02 -1.26 -5.00 135.00 134.93 1h0b s PRO 171 Ca 0.01 1.59 -0.04 0.00 0.02 0.00 0.00 61.00 62.57 1h0b s PRO 171 Cb -0.05 -1.85 -0.03 0.00 0.02 0.00 0.00 34.50 32.59 1h0b s PRO 171 CO -0.00 -1.81 0.10 -0.08 -0.33 0.00 0.00 177.00 174.88 1h0b s THR 172 N -2.26 0.14 -0.56 0.99 -1.32 -0.40 -5.03 115.64 107.21 1h0b s THR 172 Ca 0.70 -1.62 0.04 0.00 -1.21 0.00 0.00 61.69 59.60 1h0b s THR 172 Cb -0.25 -1.68 0.04 0.00 -1.51 0.00 0.00 72.50 69.10 1h0b s THR 172 CO 0.47 -0.66 0.65 0.35 -2.21 0.00 0.00 174.62 173.22 1h0b n THR 173 N -0.04 0.01 -3.53 5.08 -2.24 -1.26 -4.33 114.28 107.97 1h0b n THR 173 Ca -0.11 -0.50 -0.16 0.00 -2.27 0.00 0.00 64.05 61.01 1h0b n THR 173 Cb 0.62 1.09 -0.06 0.00 -2.10 0.00 0.00 70.33 69.89 1h0b n THR 173 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1h0b s SER 174 N -0.38 -0.58 0.00 3.42 1.04 -1.26 -0.50 113.70 115.44 1h0b s SER 174 Ca 0.05 0.62 0.01 0.00 0.48 0.00 0.00 55.95 57.11 1h0b s SER 174 Cb 0.04 0.48 -0.00 0.00 0.10 0.00 0.00 66.02 66.63 1h0b s SER 174 CO 0.06 -0.55 -0.03 0.68 0.98 0.00 0.00 173.24 174.38 1h0b s VAL 175 N -1.24 0.24 -0.14 5.02 -7.23 -0.40 -5.01 120.40 111.65 1h0b s VAL 175 Ca -0.08 -0.20 -0.00 0.00 -1.81 0.00 0.00 61.98 59.89 1h0b s VAL 175 Cb -0.00 -0.22 0.03 0.00 0.56 0.00 0.00 36.38 36.74 1h0b s VAL 175 CO 0.07 0.03 -0.09 -0.55 -0.31 0.00 0.00 175.10 174.25 1h0b s SER 176 N -0.19 2.50 -1.38 4.85 0.15 -1.26 -1.71 113.70 116.67 1h0b s SER 176 Ca 0.00 -0.45 -0.06 0.00 0.70 0.00 0.00 55.95 56.14 1h0b s SER 176 Cb -0.02 -0.97 0.03 0.00 -1.71 0.00 0.00 66.02 63.36 1h0b s SER 176 CO -0.00 -0.12 0.89 -0.62 1.20 0.00 0.00 173.24 174.60 1h0b n GLU 177 N 4.87 -5.71 -1.99 5.44 1.02 -0.69 -4.91 120.64 118.67 1h0b n GLU 177 Ca -0.14 0.66 -0.42 0.00 -0.02 0.00 0.00 57.16 57.25 1h0b n GLU 177 Cb 0.49 -5.45 -0.03 0.00 -0.02 0.00 0.00 31.44 26.44 1h0b n GLU 177 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 1h0b s LEU 178 N -6.94 4.38 -0.87 -4.62 2.96 0.86 -4.67 118.68 109.78 1h0b s LEU 178 Ca 0.31 2.63 -0.25 0.00 -0.22 0.00 0.00 54.13 56.60 1h0b s LEU 178 Cb -0.15 -3.61 0.03 0.00 0.50 0.00 0.00 46.19 42.97 1h0b s LEU 178 CO 0.80 -0.75 1.41 -0.62 -1.32 0.00 0.00 176.35 175.87 1h0b s ASP 179 N 0.70 6.25 0.33 3.68 2.15 -1.26 -2.14 116.67 126.38 1h0b s ASP 179 Ca 0.64 -0.91 0.14 0.00 0.43 0.00 0.00 52.55 52.85 1h0b s ASP 179 Cb -0.42 -2.56 0.54 0.00 -0.30 0.00 0.00 42.92 40.17 1h0b s ASP 179 CO 0.38 -1.74 1.70 -0.07 -0.17 0.00 0.00 175.17 175.27 1h0b h LEU 180 N 13.22 0.00 -1.84 -1.34 3.38 -1.47 -3.05 115.31 124.21 1h0b h LEU 180 Ca -0.04 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.92 1h0b h LEU 180 Cb 1.03 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.78 1h0b h LEU 180 CO 1.35 0.49 -0.01 0.50 0.09 0.00 0.00 178.44 180.86 1h0b h LYS 181 N 0.00 0.09 -0.77 1.13 1.63 -1.88 -1.58 116.57 115.19 1h0b h LYS 181 Ca -0.00 -0.01 -0.05 0.00 -0.85 0.00 0.00 60.65 59.74 1h0b h LYS 181 Cb 0.94 -0.02 -0.03 0.00 -0.60 0.00 0.00 32.23 32.52 1h0b h LYS 181 CO 0.06 0.11 0.29 0.00 -3.45 0.00 0.00 179.45 176.47 1h0b h ALA 182 N 1.91 1.07 -0.23 5.00 0.00 -1.87 0.19 119.26 125.33 1h0b h ALA 182 Ca 0.02 -0.20 -0.13 0.00 0.00 0.00 0.00 54.91 54.60 1h0b h ALA 182 Cb 0.08 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.57 1h0b h ALA 182 CO 0.00 0.65 -0.37 0.74 0.00 0.00 0.00 179.25 180.28 1h0b h PHE 183 N 1.12 0.81 -0.53 0.00 -1.00 -1.45 -2.29 116.94 113.60 1h0b h PHE 183 Ca 0.25 -0.28 -0.01 0.00 2.81 0.00 0.00 57.97 60.75 1h0b h PHE 183 Cb 0.23 -0.16 -0.03 0.00 3.61 0.00 0.00 35.95 39.61 1h0b h PHE 183 CO 0.02 1.03 0.30 0.82 -1.61 0.00 0.00 178.31 178.88 1h0b h ILE 184 N 0.35 1.17 -0.54 -0.55 2.04 -1.01 -1.49 117.51 117.48 1h0b h ILE 184 Ca 0.02 -0.41 -0.04 0.00 1.00 0.00 0.00 64.86 65.43 1h0b h ILE 184 Cb 0.96 0.48 -0.03 0.00 -0.74 0.00 0.00 36.82 37.50 1h0b h ILE 184 CO 0.08 0.18 0.17 0.44 0.00 0.00 0.00 178.15 179.02 1h0b h ASP 185 N 0.71 0.74 -0.31 1.72 3.32 -0.61 -0.86 116.42 121.13 1h0b h ASP 185 Ca 0.19 -0.11 -0.05 0.00 0.02 0.00 0.00 57.03 57.08 1h0b h ASP 185 Cb 0.02 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.36 1h0b h ASP 185 CO -0.03 0.71 0.02 -0.78 -1.72 0.00 0.00 179.24 177.43 1h0b h ASP 186 N 0.79 0.53 -0.45 6.45 1.82 -1.02 -1.27 116.42 123.27 1h0b h ASP 186 Ca 0.18 -0.29 -0.05 0.00 -0.39 0.00 0.00 57.03 56.48 1h0b h ASP 186 Cb 0.23 -0.14 -0.02 0.00 0.68 0.00 0.00 39.33 40.08 1h0b h ASP 186 CO -0.01 0.69 0.11 0.00 -1.61 0.00 0.00 179.24 178.42 1h0b h ALA 187 N 0.86 1.22 -0.29 -0.78 0.00 -0.90 -1.75 119.26 117.62 1h0b h ALA 187 Ca 0.09 -0.21 -0.05 0.00 0.00 0.00 0.00 54.91 54.75 1h0b h ALA 187 Cb 0.41 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1h0b h ALA 187 CO 0.01 0.53 -0.01 0.28 0.00 0.00 0.00 179.25 180.06 1h0b h VAL 188 N 0.77 1.26 -0.40 0.00 2.07 -1.01 0.32 116.25 119.25 1h0b h VAL 188 Ca 0.17 -0.96 -0.00 0.00 0.82 0.00 0.00 66.70 66.72 1h0b h VAL 188 Cb 0.31 1.32 -0.02 0.00 -1.52 0.00 0.00 31.29 31.38 1h0b h VAL 188 CO 0.00 0.31 0.24 0.00 0.02 0.00 0.00 177.57 178.14 1h0b h ALA 189 N 0.82 1.66 -0.00 1.67 0.00 -0.86 0.58 119.26 123.14 1h0b h ALA 189 Ca 0.08 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1h0b h ALA 189 Cb 0.45 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1h0b h ALA 189 CO 0.02 0.30 -0.02 0.54 0.00 0.00 0.00 179.25 180.08 1h0b n ARG 190 N -4.45 0.47 -1.01 0.00 1.74 -0.69 -4.91 116.66 107.82 1h0b n ARG 190 Ca 0.03 -0.03 -0.00 0.00 -0.77 0.00 0.00 57.85 57.07 1h0b n ARG 190 Cb 0.08 -1.50 -0.00 0.00 -1.02 0.00 0.00 32.46 30.02 1h0b n ARG 190 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1h0b n GLY 191 N 1.28 0.45 0.15 -0.13 0.00 0.20 -4.93 105.19 102.22 1h0b n GLY 191 Ca 0.14 -0.53 0.06 0.00 0.00 0.00 0.00 46.02 45.69 1h0b n GLY 191 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 1h0b h TYR 192 N 0.00 0.00 -3.69 1.61 0.99 -1.14 -3.45 116.97 111.29 1h0b h TYR 192 Ca -0.01 0.00 -0.41 0.00 2.00 0.00 0.00 58.73 60.31 1h0b h TYR 192 Cb 0.03 0.00 -0.32 0.00 1.00 0.00 0.00 36.73 37.44 1h0b h TYR 192 CO 0.02 0.29 -0.78 0.42 -0.00 0.00 0.00 178.16 178.11 1h0b s ILE 193 N -3.09 0.66 -0.04 -2.88 1.01 -1.14 -4.83 121.20 110.90 1h0b s ILE 193 Ca 0.03 -0.27 -0.16 0.00 0.00 0.00 0.00 60.65 60.25 1h0b s ILE 193 Cb 0.07 -0.62 -0.05 0.00 0.01 0.00 0.00 42.46 41.87 1h0b s ILE 193 CO 0.74 0.23 0.44 -0.13 0.00 0.00 0.00 174.94 176.22 1h0b s ARG 194 N 0.41 4.10 0.60 2.79 0.52 -1.26 -4.22 118.95 121.89 1h0b s ARG 194 Ca -0.06 0.44 0.30 0.00 -0.52 0.00 0.00 55.73 55.89 1h0b s ARG 194 Cb -0.10 -3.30 1.73 0.00 0.52 0.00 0.00 34.95 33.80 1h0b s ARG 194 CO 0.00 0.49 2.15 -1.00 0.02 0.00 0.00 175.30 176.96 1h0b h PRO 195 N 5.44 0.00 -0.00 3.54 0.13 -1.97 -1.04 132.00 138.10 1h0b h PRO 195 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1h0b h PRO 195 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1h0b h PRO 195 CO 0.67 0.00 -0.10 -0.85 -0.23 0.00 0.00 178.00 177.49 1h0b n GLU 196 N -3.75 0.61 -1.64 0.86 0.00 -1.26 -1.04 120.64 114.41 1h0b n GLU 196 Ca 0.00 -0.18 -0.31 0.00 0.00 0.00 0.00 57.16 56.67 1h0b n GLU 196 Cb 0.25 -1.50 0.05 0.00 0.00 0.00 0.00 31.44 30.24 1h0b n GLU 196 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.13 175.55 1h0b s TRP 197 N -2.52 3.05 -0.07 -1.84 0.51 -0.40 -4.76 118.94 112.91 1h0b s TRP 197 Ca 0.28 1.45 -0.09 0.00 -2.12 0.00 0.00 56.10 55.62 1h0b s TRP 197 Cb 0.20 -2.92 -0.05 0.00 -0.81 0.00 0.00 33.47 29.90 1h0b s TRP 197 CO 0.48 -1.25 0.23 0.71 -0.51 0.00 0.00 176.95 176.61 1h0b s TYR 198 N -2.92 3.64 -0.23 -1.98 1.51 0.74 -0.76 117.35 117.35 1h0b s TYR 198 Ca 0.59 0.67 -0.20 0.00 -1.01 0.00 0.00 57.07 57.12 1h0b s TYR 198 Cb -0.15 -2.05 -0.02 0.00 -0.11 0.00 0.00 41.96 39.64 1h0b s TYR 198 CO 0.51 0.70 0.62 -1.17 -1.11 0.00 0.00 175.55 175.11 1h0b s LEU 199 N -1.10 4.10 -0.26 -1.29 2.96 0.51 -1.65 118.68 121.94 1h0b s LEU 199 Ca 0.19 0.75 -0.00 0.00 -0.22 0.00 0.00 54.13 54.84 1h0b s LEU 199 Cb -0.13 -2.85 -0.17 0.00 0.50 0.00 0.00 46.19 43.54 1h0b s LEU 199 CO 0.08 -0.32 -0.23 1.41 -1.32 0.00 0.00 176.35 175.97 1h0b n HIS 200 N 5.41 0.05 -3.61 5.38 8.25 0.05 -2.37 115.22 128.38 1h0b n HIS 200 Ca -0.01 0.01 -0.16 0.00 -0.26 0.00 0.00 57.72 57.30 1h0b n HIS 200 Cb 0.49 -1.01 -0.07 0.00 1.12 0.00 0.00 29.99 30.53 1h0b n HIS 200 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1h0b s ALA 201 N -2.52 -1.42 -0.21 -1.41 0.00 -1.22 -0.33 121.76 114.65 1h0b s ALA 201 Ca -0.35 0.97 0.02 0.00 0.00 0.00 0.00 51.96 52.59 1h0b s ALA 201 Cb 0.10 0.02 0.03 0.00 0.00 0.00 0.00 23.12 23.27 1h0b s ALA 201 CO 0.59 -0.33 -0.16 0.08 0.00 0.00 0.00 175.76 175.94 1h0b s VAL 202 N -1.23 2.14 0.17 0.00 1.01 -0.25 -1.86 120.40 120.38 1h0b s VAL 202 Ca -0.12 -1.20 0.07 0.00 0.00 0.00 0.00 61.98 60.73 1h0b s VAL 202 Cb -0.02 -2.04 -0.04 0.00 0.00 0.00 0.00 36.38 34.27 1h0b s VAL 202 CO 0.08 0.31 -0.14 -1.61 0.00 0.00 0.00 175.10 173.74 1h0b s GLU 203 N 1.22 1.22 -0.05 2.72 2.02 -0.27 -1.22 118.70 124.34 1h0b s GLU 203 Ca -0.00 -1.47 -0.14 0.00 0.02 0.00 0.00 54.97 53.37 1h0b s GLU 203 Cb -0.16 -1.03 0.03 0.00 0.10 0.00 0.00 34.13 33.07 1h0b s GLU 203 CO -0.10 0.18 0.32 -0.08 0.02 0.00 0.00 175.26 175.61 1h0b s THR 204 N -2.73 0.04 -0.59 3.63 -1.32 -0.68 -0.23 115.64 113.76 1h0b s THR 204 Ca 0.18 -0.31 0.00 0.00 -1.21 0.00 0.00 61.69 60.35 1h0b s THR 204 Cb -0.02 -0.57 0.00 0.00 -1.51 0.00 0.00 72.50 70.40 1h0b s THR 204 CO 0.05 -0.17 0.00 0.61 -2.21 0.00 0.00 174.62 172.90 1h0b n GLY 205 N 1.82 -0.75 2.94 6.08 0.00 -0.92 -1.12 105.19 113.25 1h0b n GLY 205 Ca -0.19 -0.36 -0.27 0.00 0.00 0.00 0.00 46.02 45.20 1h0b n GLY 205 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1h0b s PHE 206 N -3.86 1.61 -0.15 1.61 0.40 -0.94 -1.18 117.98 115.46 1h0b s PHE 206 Ca 0.00 -0.80 -0.28 0.00 -0.60 0.00 0.00 56.93 55.25 1h0b s PHE 206 Cb 0.00 -1.28 -0.01 0.00 0.51 0.00 0.00 43.02 42.24 1h0b s PHE 206 CO 0.00 -0.51 0.95 -1.21 0.70 0.00 0.00 175.22 175.15 1h0b s GLU 207 N 1.53 4.35 -0.17 0.44 2.02 -1.10 -3.54 118.70 122.24 1h0b s GLU 207 Ca 0.02 1.26 -0.03 0.00 0.02 0.00 0.00 54.97 56.25 1h0b s GLU 207 Cb -0.13 -3.57 -0.02 0.00 0.10 0.00 0.00 34.13 30.51 1h0b s GLU 207 CO -0.07 -0.37 -0.07 -0.51 0.02 0.00 0.00 175.26 174.26 1h0b s LEU 208 N 2.26 2.98 -0.20 1.80 1.43 -0.03 -1.90 118.68 125.03 1h0b s LEU 208 Ca 0.44 -0.27 -0.01 0.00 -1.03 0.00 0.00 54.13 53.26 1h0b s LEU 208 Cb -0.17 -1.72 -0.12 0.00 0.03 0.00 0.00 46.19 44.21 1h0b s LEU 208 CO 0.14 0.11 -0.19 0.79 0.23 0.00 0.00 176.35 177.43 1h0b n TRP 209 N 3.94 0.00 -3.69 0.29 8.01 -0.51 0.20 117.44 125.69 1h0b n TRP 209 Ca -0.18 0.00 -0.11 0.00 -1.31 0.00 0.00 57.50 55.90 1h0b n TRP 209 Cb 0.52 -0.75 -0.11 0.00 -2.01 0.00 0.00 31.31 28.96 1h0b n TRP 209 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 177.69 174.68 1h0b s GLU 210 N -2.39 0.32 3.71 -0.99 2.12 -0.96 -0.82 118.70 119.69 1h0b s GLU 210 Ca -0.27 0.79 0.00 0.00 0.36 0.00 0.00 54.97 55.85 1h0b s GLU 210 Cb 0.08 0.03 0.00 0.00 0.26 0.00 0.00 34.13 34.49 1h0b s GLU 210 CO 0.44 -0.19 0.00 0.41 -0.54 0.00 0.00 175.26 175.37 1h0b n GLY 211 N 4.61 0.56 0.00 -1.50 0.00 -0.48 -1.29 105.19 107.08 1h0b n GLY 211 Ca -0.19 -0.80 0.00 0.00 0.00 0.00 0.00 46.02 45.04 1h0b n GLY 211 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1h0b n GLY 212 N 0.00 1.26 3.71 -0.02 0.00 -1.26 -4.67 105.19 104.21 1h0b n GLY 212 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 1h0b n GLY 212 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1h0b s ALA 213 N -1.52 3.88 0.00 4.61 0.00 -1.26 -2.45 121.76 125.03 1h0b s ALA 213 Ca 0.00 1.52 0.00 0.00 0.00 0.00 0.00 51.96 53.48 1h0b s ALA 213 Cb 0.00 -3.69 0.00 0.00 0.00 0.00 0.00 23.12 19.43 1h0b s ALA 213 CO 0.00 -0.94 0.00 0.41 0.00 0.00 0.00 175.76 175.23 1h0b n GLY 214 N 3.97 2.30 3.77 0.00 0.00 0.81 -5.01 105.19 111.04 1h0b n GLY 214 Ca 0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 1h0b n GLY 214 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1h0b s LEU 215 N 0.00 4.38 -0.01 0.99 1.43 -1.02 -4.77 118.68 119.68 1h0b s LEU 215 Ca 0.00 2.83 0.03 0.00 -1.03 0.00 0.00 54.13 55.96 1h0b s LEU 215 Cb 0.00 -3.65 -0.01 0.00 0.03 0.00 0.00 46.19 42.56 1h0b s LEU 215 CO 0.00 -0.68 -0.11 -0.60 0.23 0.00 0.00 176.35 175.19 1h0b s ARG 216 N -1.77 0.97 -0.11 1.70 3.52 -1.09 -1.10 118.95 121.07 1h0b s ARG 216 Ca 0.51 -0.40 0.01 0.00 -0.13 0.00 0.00 55.73 55.73 1h0b s ARG 216 Cb -0.43 -0.92 -0.02 0.00 -1.56 0.00 0.00 34.95 32.02 1h0b s ARG 216 CO 0.56 0.22 -0.13 0.45 -0.81 0.00 0.00 175.30 175.59 1h0b s SER 217 N -0.17 4.09 0.21 -2.12 0.15 0.42 -1.10 113.70 115.18 1h0b s SER 217 Ca 0.03 -0.27 -0.15 0.00 0.70 0.00 0.00 55.95 56.26 1h0b s SER 217 Cb -0.05 -1.40 0.01 0.00 -1.71 0.00 0.00 66.02 62.86 1h0b s SER 217 CO -0.00 0.22 0.48 0.00 1.20 0.00 0.00 173.24 175.14 1h0b s ALA 218 N 0.02 -0.57 -1.45 5.45 0.00 -0.24 -1.03 121.76 123.93 1h0b s ALA 218 Ca -0.04 -0.55 -0.02 0.00 0.00 0.00 0.00 51.96 51.35 1h0b s ALA 218 Cb -0.14 0.92 0.01 0.00 0.00 0.00 0.00 23.12 23.90 1h0b s ALA 218 CO 0.04 -0.81 0.14 -0.25 0.00 0.00 0.00 175.76 174.89 1h0b n ASP 219 N -0.34 -5.07 -4.75 0.00 8.00 -1.26 -0.86 116.55 112.27 1h0b n ASP 219 Ca -0.07 -0.02 -0.41 0.00 0.71 0.00 0.00 54.79 55.00 1h0b n ASP 219 Cb 0.62 -4.22 -0.03 0.00 -0.02 0.00 0.00 41.12 37.47 1h0b n ASP 219 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 1h0b s PHE 220 N -2.91 3.34 -0.19 1.24 5.36 -1.26 -3.71 117.98 119.84 1h0b s PHE 220 Ca 0.08 1.40 -0.20 0.00 -0.96 0.00 0.00 56.93 57.26 1h0b s PHE 220 Cb -0.04 -3.50 0.05 0.00 -0.34 0.00 0.00 43.02 39.19 1h0b s PHE 220 CO 0.10 -1.42 0.56 0.45 -1.46 0.00 0.00 175.22 173.45 1h0b s SER 221 N -0.07 -0.58 -0.05 6.13 0.15 -0.84 -4.95 113.70 113.49 1h0b s SER 221 Ca 0.52 1.07 -0.03 0.00 0.70 0.00 0.00 55.95 58.21 1h0b s SER 221 Cb -0.35 1.08 0.03 0.00 -1.71 0.00 0.00 66.02 65.07 1h0b s SER 221 CO 0.41 -0.23 0.11 -0.69 1.20 0.00 0.00 173.24 174.03 1h0b s VAL 222 N 0.13 -0.03 0.01 4.45 1.01 -1.26 -1.54 120.40 123.17 1h0b s VAL 222 Ca -0.01 0.12 0.03 0.00 0.00 0.00 0.00 61.98 62.12 1h0b s VAL 222 Cb -0.04 -0.18 -0.01 0.00 0.00 0.00 0.00 36.38 36.15 1h0b s VAL 222 CO 0.02 0.05 -0.11 0.42 0.00 0.00 0.00 175.10 175.48 1h0b s THR 223 N 0.74 0.83 -0.05 3.92 -4.23 -0.54 -5.00 115.64 111.30 1h0b s THR 223 Ca -0.06 -0.60 0.02 0.00 -1.18 0.00 0.00 61.69 59.88 1h0b s THR 223 Cb -0.08 -0.72 0.01 0.00 1.34 0.00 0.00 72.50 73.05 1h0b s THR 223 CO -0.03 0.13 -0.10 -0.69 -0.54 0.00 0.00 174.62 173.38 1h0b s VAL 224 N -0.45 0.92 -0.09 2.29 1.01 -1.26 -1.72 120.40 121.10 1h0b s VAL 224 Ca 0.02 -0.37 0.04 0.00 0.00 0.00 0.00 61.98 61.67 1h0b s VAL 224 Cb -0.05 -0.86 0.00 0.00 0.00 0.00 0.00 36.38 35.47 1h0b s VAL 224 CO 0.00 0.30 -0.23 -1.10 0.00 0.00 0.00 175.10 174.08 1h0b s GLN 225 N 0.61 2.81 0.35 2.72 -1.52 0.10 -5.01 119.66 119.72 1h0b s GLN 225 Ca -0.11 -0.82 -0.00 0.00 -1.95 0.00 0.00 55.36 52.47 1h0b s GLN 225 Cb -0.14 -2.16 -0.03 0.00 -0.22 0.00 0.00 33.01 30.45 1h0b s GLN 225 CO 0.02 0.19 0.56 -1.59 -0.25 0.00 0.00 175.29 174.22 1h0b s LYS 226 N 0.31 3.50 0.34 2.91 -2.85 -1.26 -0.63 119.74 122.05 1h0b s LYS 226 Ca -0.16 -0.27 -0.29 0.00 -1.00 0.00 0.00 55.97 54.25 1h0b s LYS 226 Cb -0.17 -2.65 -0.10 0.00 -2.06 0.00 0.00 37.83 32.85 1h0b s LYS 226 CO 0.08 0.14 1.33 -0.51 0.10 0.00 0.00 175.35 176.48 1h0b s LEU 227 N -4.26 4.41 0.00 2.77 1.43 0.05 -4.63 118.68 118.45 1h0b s LEU 227 Ca 0.41 2.73 0.00 0.00 -1.03 0.00 0.00 54.13 56.24 1h0b s LEU 227 Cb -0.10 -3.66 0.00 0.00 0.03 0.00 0.00 46.19 42.46 1h0b s LEU 227 CO 0.36 -0.58 0.00 0.00 0.23 0.00 0.00 176.35 176.36