#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gpw n GLY 7 N 0.00 -0.45 0.15 0.00 0.00 -1.26 -2.41 105.19 101.23 3gpw n GLY 7 Ca 0.00 -0.07 0.14 0.00 0.00 0.00 0.00 46.02 46.09 3gpw n GLY 7 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3gpw n TYR 8 N -0.90 0.00 0.94 1.61 4.01 -1.26 -3.50 117.16 118.06 3gpw n TYR 8 Ca 0.09 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.83 3gpw n TYR 8 Cb 0.04 -0.14 0.03 0.00 -0.31 0.00 0.00 39.34 38.96 3gpw n TYR 8 CO 0.00 0.00 0.00 -0.40 -0.46 0.00 0.00 176.86 176.00 3gpw n ASP 9 N -0.80 0.00 0.00 7.72 5.75 -1.01 -0.89 116.55 127.31 3gpw n ASP 9 Ca 0.16 -0.91 0.00 0.00 -0.01 0.00 0.00 54.79 54.03 3gpw n ASP 9 Cb 0.27 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.36 3gpw n ASP 9 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 3gpw n ARG 10 N -0.53 0.40 -0.08 0.11 1.74 -1.23 -4.58 116.66 112.49 3gpw n ARG 10 Ca 0.01 -0.80 -0.10 0.00 -0.77 0.00 0.00 57.85 56.19 3gpw n ARG 10 Cb 0.00 -0.95 -0.08 0.00 -1.02 0.00 0.00 32.46 30.41 3gpw n ARG 10 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 3gpw n HIS 11 N -0.16 0.00 -4.34 -1.55 8.25 -0.07 -4.55 115.22 112.79 3gpw n HIS 11 Ca 0.00 0.00 -0.28 0.00 -0.26 0.00 0.00 57.72 57.18 3gpw n HIS 11 Cb 0.11 -0.63 -0.07 0.00 1.12 0.00 0.00 29.99 30.52 3gpw n HIS 11 CO 0.00 0.00 0.00 0.96 0.64 0.00 0.00 176.34 177.94 3gpw s ILE 12 N -2.33 1.83 -1.24 1.59 -4.36 -1.17 -4.93 121.20 110.59 3gpw s ILE 12 Ca -0.19 -1.79 -0.11 0.00 -0.26 0.00 0.00 60.65 58.30 3gpw s ILE 12 Cb 0.05 -2.62 0.18 0.00 1.25 0.00 0.00 42.46 41.32 3gpw s ILE 12 CO 0.41 0.00 1.66 0.35 0.24 0.00 0.00 174.94 177.60 3gpw n THR 13 N -1.29 4.35 -4.36 8.37 -2.24 -1.26 -4.67 114.28 113.18 3gpw n THR 13 Ca -0.07 -4.62 -0.20 0.00 -2.27 0.00 0.00 64.05 56.89 3gpw n THR 13 Cb 0.66 -2.40 -0.10 0.00 -2.10 0.00 0.00 70.33 66.39 3gpw n THR 13 CO 0.00 0.00 0.00 0.27 -0.57 0.00 0.00 175.07 174.77 3gpw s ILE 14 N 0.71 1.85 0.50 2.28 -4.36 -1.26 -4.71 121.20 116.22 3gpw s ILE 14 Ca 0.40 -2.18 -0.22 0.00 -0.26 0.00 0.00 60.65 58.40 3gpw s ILE 14 Cb 0.04 -2.03 -0.06 0.00 1.25 0.00 0.00 42.46 41.65 3gpw s ILE 14 CO 0.01 -0.51 1.22 -0.36 0.24 0.00 0.00 174.94 175.53 3gpw s PHE 15 N -2.71 2.65 0.35 1.37 0.08 -1.26 -4.68 117.98 113.77 3gpw s PHE 15 Ca 0.22 1.49 0.01 0.00 0.12 0.00 0.00 56.93 58.78 3gpw s PHE 15 Cb -0.02 -3.49 -0.03 0.00 -0.57 0.00 0.00 43.02 38.91 3gpw s PHE 15 CO 0.08 -1.95 0.54 -1.54 -0.10 0.00 0.00 175.22 172.25 3gpw s SER 16 N -1.32 6.22 0.60 1.36 1.04 -0.30 -4.89 113.70 116.41 3gpw s SER 16 Ca 0.68 0.35 0.23 0.00 0.48 0.00 0.00 55.95 57.70 3gpw s SER 16 Cb -0.31 -1.90 1.28 0.00 0.10 0.00 0.00 66.02 65.18 3gpw s SER 16 CO 0.37 -0.33 1.70 -0.65 0.98 0.00 0.00 173.24 175.31 3gpw h PRO 17 N 0.76 0.00 -0.27 4.02 0.11 -1.96 0.99 132.00 135.64 3gpw h PRO 17 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 3gpw h PRO 17 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 3gpw h PRO 17 CO 0.60 0.00 0.00 0.39 -0.21 0.00 0.00 178.00 178.78 3gpw n GLU 18 N -2.68 2.02 -1.62 1.05 4.71 -1.26 -4.91 120.64 117.95 3gpw n GLU 18 Ca -0.02 -1.55 -0.03 0.00 -0.01 0.00 0.00 57.16 55.56 3gpw n GLU 18 Cb 0.44 -1.43 -0.01 0.00 -1.01 0.00 0.00 31.44 29.43 3gpw n GLU 18 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 3gpw n GLY 19 N 1.26 0.41 3.85 0.62 0.00 0.34 -5.04 105.19 106.64 3gpw n GLY 19 Ca 0.17 -0.84 -0.21 0.00 0.00 0.00 0.00 46.02 45.14 3gpw n GLY 19 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3gpw s ARG 20 N -3.29 2.84 -0.60 1.61 0.52 -1.24 -4.77 118.95 114.02 3gpw s ARG 20 Ca 0.00 -1.17 0.04 0.00 -0.52 0.00 0.00 55.73 54.08 3gpw s ARG 20 Cb 0.00 -2.53 0.16 0.00 0.52 0.00 0.00 34.95 33.10 3gpw s ARG 20 CO 0.00 0.23 0.40 -0.51 0.02 0.00 0.00 175.30 175.44 3gpw s LEU 21 N -3.94 3.93 0.31 2.53 1.43 -1.26 -1.14 118.68 120.55 3gpw s LEU 21 Ca 0.37 -3.45 0.08 0.00 -1.03 0.00 0.00 54.13 50.11 3gpw s LEU 21 Cb -0.07 -1.37 0.84 0.00 0.03 0.00 0.00 46.19 45.62 3gpw s LEU 21 CO 0.26 -0.14 1.74 1.88 0.23 0.00 0.00 176.35 180.32 3gpw h TYR 22 N 5.77 1.04 -0.30 0.29 0.05 -1.86 0.04 116.97 121.99 3gpw h TYR 22 Ca 0.11 0.04 0.01 0.00 0.05 0.00 0.00 58.73 58.93 3gpw h TYR 22 Cb 0.82 -0.30 -0.02 0.00 1.01 0.00 0.00 36.73 38.24 3gpw h TYR 22 CO 0.57 0.12 0.20 1.96 -1.05 0.00 0.00 178.16 179.96 3gpw h GLN 23 N 0.64 0.39 -0.11 4.88 1.08 -1.83 0.42 115.11 120.57 3gpw h GLN 23 Ca 0.62 -0.02 -0.19 0.00 -1.45 0.00 0.00 58.65 57.61 3gpw h GLN 23 Cb 1.12 -0.09 -0.00 0.00 -0.05 0.00 0.00 27.48 28.46 3gpw h GLN 23 CO -0.45 0.26 -0.72 0.28 -0.95 0.00 0.00 178.83 177.25 3gpw h VAL 24 N 0.40 1.34 -0.32 -0.54 2.07 -1.36 -2.08 116.25 115.76 3gpw h VAL 24 Ca 0.11 -2.05 -0.06 0.00 0.82 0.00 0.00 66.70 65.53 3gpw h VAL 24 Cb -0.03 2.03 -0.01 0.00 -1.52 0.00 0.00 31.29 31.76 3gpw h VAL 24 CO -0.02 0.63 -0.03 -0.33 0.02 0.00 0.00 177.57 177.84 3gpw h GLU 25 N 0.37 0.58 0.00 1.57 5.08 -0.57 -1.79 114.58 119.83 3gpw h GLU 25 Ca -0.03 -0.20 -0.02 0.00 -1.00 0.00 0.00 59.36 58.11 3gpw h GLU 25 Cb 1.31 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 30.51 3gpw h GLU 25 CO 0.13 0.74 -0.11 1.88 -1.00 0.00 0.00 179.01 180.65 3gpw h TYR 26 N 0.38 0.00 -0.21 4.33 0.05 -0.28 -2.06 116.97 119.17 3gpw h TYR 26 Ca 0.09 0.00 -0.21 0.00 0.05 0.00 0.00 58.73 58.66 3gpw h TYR 26 Cb 0.49 0.00 0.01 0.00 1.01 0.00 0.00 36.73 38.23 3gpw h TYR 26 CO 0.04 0.11 -0.68 0.00 -1.05 0.00 0.00 178.16 176.58 3gpw h ALA 27 N 1.89 0.40 -0.74 3.88 0.00 -0.86 -2.43 119.26 121.40 3gpw h ALA 27 Ca -0.00 -0.56 0.02 0.00 0.00 0.00 0.00 54.91 54.37 3gpw h ALA 27 Cb 0.53 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.24 3gpw h ALA 27 CO 0.01 0.69 0.49 0.74 0.00 0.00 0.00 179.25 181.18 3gpw h PHE 28 N 0.58 0.90 -0.87 0.00 0.04 -0.67 -1.59 116.94 115.34 3gpw h PHE 28 Ca -0.02 0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.77 3gpw h PHE 28 Cb 1.29 -0.30 -0.04 0.00 2.20 0.00 0.00 35.95 39.10 3gpw h PHE 28 CO 0.08 0.55 0.56 -0.22 -0.60 0.00 0.00 178.31 178.67 3gpw h LYS 29 N 0.96 1.15 0.00 1.51 1.63 -0.97 -2.37 116.57 118.47 3gpw h LYS 29 Ca 0.28 -0.08 -0.02 0.00 -0.85 0.00 0.00 60.65 59.98 3gpw h LYS 29 Cb -0.04 -0.25 -0.00 0.00 -0.60 0.00 0.00 32.23 31.34 3gpw h LYS 29 CO -0.07 0.78 -0.07 0.00 -3.45 0.00 0.00 179.45 176.64 3gpw h ALA 30 N 1.30 1.78 -0.05 5.00 0.00 -0.85 -2.69 119.26 123.75 3gpw h ALA 30 Ca 0.31 -0.07 0.01 0.00 0.00 0.00 0.00 54.91 55.17 3gpw h ALA 30 Cb -0.10 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.67 3gpw h ALA 30 CO -0.06 0.09 0.06 1.79 0.00 0.00 0.00 179.25 181.13 3gpw h THR 31 N 0.00 0.49 -0.05 0.00 1.35 -1.29 -0.92 112.91 112.48 3gpw h THR 31 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 3gpw h THR 31 Cb 0.14 0.95 0.00 0.00 -1.73 0.00 0.00 68.15 67.51 3gpw h THR 31 CO 0.01 0.00 0.00 0.59 -0.25 0.00 0.00 175.52 175.87 3gpw n ASN 32 N -3.80 2.01 -0.03 5.36 3.02 -1.01 -3.04 115.26 117.77 3gpw n ASN 32 Ca -0.02 -1.68 0.19 0.00 -0.03 0.00 0.00 54.58 53.05 3gpw n ASN 32 Cb 0.15 -0.02 0.66 0.00 -0.61 0.00 0.00 39.78 39.96 3gpw n ASN 32 CO 0.00 0.00 0.00 -0.61 -2.62 0.00 0.00 177.26 174.03 3gpw h GLN 33 N 3.08 0.07 -0.00 3.52 4.15 -1.29 -0.67 115.11 123.97 3gpw h GLN 33 Ca 0.00 -0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 3gpw h GLN 33 Cb 0.66 -0.02 0.00 0.00 0.21 0.00 0.00 27.48 28.33 3gpw h GLN 33 CO 0.00 0.05 -0.12 0.25 -1.93 0.00 0.00 178.83 177.07 3gpw n THR 34 N -4.39 0.00 -4.03 2.39 -2.24 -1.26 -4.92 114.28 99.82 3gpw n THR 34 Ca 0.11 -0.04 -0.31 0.00 -2.27 0.00 0.00 64.05 61.54 3gpw n THR 34 Cb 0.60 -0.16 -0.00 0.00 -2.10 0.00 0.00 70.33 68.67 3gpw n THR 34 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 3gpw n ASN 34 N -1.12 -3.20 -4.34 3.42 4.05 -0.26 -4.95 115.26 108.85 3gpw n ASN 34 Ca 0.12 -0.91 -0.31 0.00 0.45 0.00 0.00 54.58 53.93 3gpw n ASN 34 Cb 0.29 -3.32 -0.15 0.00 1.23 0.00 0.00 39.78 37.82 3gpw n ASN 34 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 177.26 173.58 3gpw s ILE 35 N -3.44 2.23 0.07 -1.44 1.01 -1.26 -4.95 121.20 113.42 3gpw s ILE 35 Ca 0.53 -1.09 0.07 0.00 0.00 0.00 0.00 60.65 60.17 3gpw s ILE 35 Cb -0.28 -1.80 -0.04 0.00 0.01 0.00 0.00 42.46 40.35 3gpw s ILE 35 CO 0.88 0.55 -0.14 0.20 0.00 0.00 0.00 174.94 176.43 3gpw s ASN 36 N -0.72 4.10 0.05 3.58 0.01 -1.26 -4.32 114.94 116.38 3gpw s ASN 36 Ca 0.11 -0.40 -0.05 0.00 -0.71 0.00 0.00 52.86 51.80 3gpw s ASN 36 Cb -0.10 -0.73 -0.01 0.00 0.41 0.00 0.00 41.25 40.82 3gpw s ASN 36 CO -0.00 0.22 0.10 -0.94 -1.51 0.00 0.00 177.10 174.97 3gpw s SER 37 N -1.78 0.23 0.05 -1.22 1.04 -0.28 -1.22 113.70 110.50 3gpw s SER 37 Ca 0.17 -0.67 -0.14 0.00 0.48 0.00 0.00 55.95 55.79 3gpw s SER 37 Cb -0.11 0.25 0.02 0.00 0.10 0.00 0.00 66.02 66.29 3gpw s SER 37 CO 0.09 -0.59 0.32 -1.48 0.98 0.00 0.00 173.24 172.56 3gpw s LEU 38 N -2.51 0.79 0.01 2.42 0.05 0.23 -0.59 118.68 119.08 3gpw s LEU 38 Ca 0.01 -0.17 0.02 0.00 0.05 0.00 0.00 54.13 54.04 3gpw s LEU 38 Cb 0.03 1.43 -0.01 0.00 -2.05 0.00 0.00 46.19 45.58 3gpw s LEU 38 CO -0.08 -0.63 -0.07 0.00 -0.55 0.00 0.00 176.35 175.02 3gpw s ALA 39 N -2.58 0.58 0.03 1.48 0.00 0.50 -0.61 121.76 121.16 3gpw s ALA 39 Ca -0.05 -0.42 -0.00 0.00 0.00 0.00 0.00 51.96 51.50 3gpw s ALA 39 Cb -0.01 -0.10 -0.03 0.00 0.00 0.00 0.00 23.12 22.99 3gpw s ALA 39 CO -0.03 0.10 -0.04 0.14 0.00 0.00 0.00 175.76 175.93 3gpw s VAL 40 N -0.47 0.19 -0.13 0.00 -7.23 -0.34 -1.43 120.40 110.99 3gpw s VAL 40 Ca -0.00 -1.18 -0.06 0.00 -1.81 0.00 0.00 61.98 58.93 3gpw s VAL 40 Cb -0.04 -0.65 -0.04 0.00 0.56 0.00 0.00 36.38 36.21 3gpw s VAL 40 CO 0.00 -0.63 0.09 -0.13 -0.31 0.00 0.00 175.10 174.12 3gpw s ARG 41 N -2.16 3.46 0.00 4.82 0.52 -1.24 -0.94 118.95 123.41 3gpw s ARG 41 Ca -0.09 -0.25 0.00 0.00 -0.52 0.00 0.00 55.73 54.87 3gpw s ARG 41 Cb -0.05 -3.10 0.00 0.00 0.52 0.00 0.00 34.95 32.32 3gpw s ARG 41 CO -0.03 0.63 0.00 0.41 0.02 0.00 0.00 175.30 176.33 3gpw n GLY 42 N 2.42 1.06 0.16 -3.53 0.00 0.53 -0.49 105.19 105.34 3gpw n GLY 42 Ca -0.19 -1.91 -0.19 0.00 0.00 0.00 0.00 46.02 43.74 3gpw n GLY 42 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3gpw h LYS 43 N 0.00 0.51 -0.18 1.61 3.64 -1.91 -3.40 116.57 116.85 3gpw h LYS 43 Ca 0.00 -0.68 -0.20 0.00 -1.27 0.00 0.00 60.65 58.50 3gpw h LYS 43 Cb 0.00 0.23 -0.30 0.00 -0.41 0.00 0.00 32.23 31.74 3gpw h LYS 43 CO 0.00 1.29 -0.79 -0.40 -2.27 0.00 0.00 179.45 177.28 3gpw n ASP 44 N -3.73 0.39 -3.54 4.20 3.85 -1.26 -4.85 116.55 111.61 3gpw n ASP 44 Ca -0.11 -2.06 -0.09 0.00 -0.71 0.00 0.00 54.79 51.82 3gpw n ASP 44 Cb 0.97 -0.06 -0.02 0.00 -1.35 0.00 0.00 41.12 40.66 3gpw n ASP 44 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 3gpw s THR 46 N -3.36 -0.05 0.03 0.00 2.01 -0.21 -0.34 115.64 113.71 3gpw s THR 46 Ca 0.17 0.19 0.08 0.00 0.31 0.00 0.00 61.69 62.44 3gpw s THR 46 Cb -0.04 -0.23 -0.03 0.00 0.01 0.00 0.00 72.50 72.22 3gpw s THR 46 CO 0.10 0.08 -0.23 -0.69 -0.69 0.00 0.00 174.62 173.19 3gpw s VAL 47 N 1.18 2.38 -0.07 3.82 1.01 -0.12 -0.62 120.40 127.99 3gpw s VAL 47 Ca -0.09 -1.24 -0.00 0.00 0.00 0.00 0.00 61.98 60.64 3gpw s VAL 47 Cb -0.12 -1.94 0.02 0.00 0.00 0.00 0.00 36.38 34.35 3gpw s VAL 47 CO -0.06 0.41 -0.03 0.68 0.00 0.00 0.00 175.10 176.09 3gpw s VAL 48 N -0.81 0.60 -0.01 2.92 -7.23 -0.38 -1.20 120.40 114.29 3gpw s VAL 48 Ca 0.12 -0.07 0.02 0.00 -1.81 0.00 0.00 61.98 60.25 3gpw s VAL 48 Cb -0.10 -0.67 -0.03 0.00 0.56 0.00 0.00 36.38 36.13 3gpw s VAL 48 CO 0.02 0.28 -0.06 -0.63 -0.31 0.00 0.00 175.10 174.40 3gpw s ILE 49 N 1.53 3.72 -0.13 -0.62 1.09 0.22 -1.02 121.20 125.98 3gpw s ILE 49 Ca -0.01 -0.68 -0.09 0.00 -1.10 0.00 0.00 60.65 58.76 3gpw s ILE 49 Cb -0.13 -2.60 0.04 0.00 -1.06 0.00 0.00 42.46 38.71 3gpw s ILE 49 CO -0.04 0.44 0.34 -0.55 -0.10 0.00 0.00 174.94 175.03 3gpw s SER 50 N -1.29 -0.38 0.53 3.58 0.15 -0.37 -0.60 113.70 115.31 3gpw s SER 50 Ca 0.16 0.70 -0.22 0.00 0.70 0.00 0.00 55.95 57.29 3gpw s SER 50 Cb -0.11 0.64 -0.05 0.00 -1.71 0.00 0.00 66.02 64.78 3gpw s SER 50 CO 0.06 -0.15 1.37 -1.10 1.20 0.00 0.00 173.24 174.62 3gpw s GLN 51 N 0.85 3.26 -0.15 5.44 -0.21 -0.36 -1.17 119.66 127.32 3gpw s GLN 51 Ca -0.05 2.26 0.01 0.00 0.02 0.00 0.00 55.36 57.59 3gpw s GLN 51 Cb -0.06 -2.33 0.02 0.00 1.00 0.00 0.00 33.01 31.63 3gpw s GLN 51 CO -0.06 -1.11 -0.18 0.21 -2.12 0.00 0.00 175.29 172.04 3gpw s LYS 52 N -2.82 2.64 -0.18 2.91 2.20 0.14 -4.77 119.74 119.86 3gpw s LYS 52 Ca 0.69 -0.70 -0.00 0.00 -0.36 0.00 0.00 55.97 55.61 3gpw s LYS 52 Cb -0.41 -2.28 0.04 0.00 -1.51 0.00 0.00 37.83 33.67 3gpw s LYS 52 CO 0.49 -0.17 -0.07 0.15 -0.36 0.00 0.00 175.35 175.40 3gpw s LYS 53 N 1.24 1.62 -0.47 4.03 1.02 -1.26 -4.34 119.74 121.58 3gpw s LYS 53 Ca 0.01 -0.63 0.01 0.00 0.02 0.00 0.00 55.97 55.38 3gpw s LYS 53 Cb -0.14 -2.16 0.12 0.00 -0.52 0.00 0.00 37.83 35.14 3gpw s LYS 53 CO -0.09 -0.44 0.23 0.08 -0.92 0.00 0.00 175.35 174.22 3gpw s VAL 54 N 1.55 2.91 -0.01 3.17 1.01 -1.26 -4.99 120.40 122.78 3gpw s VAL 54 Ca -0.00 -2.71 -0.19 0.00 0.00 0.00 0.00 61.98 59.08 3gpw s VAL 54 Cb -0.16 -3.01 -0.10 0.00 0.00 0.00 0.00 36.38 33.11 3gpw s VAL 54 CO -0.08 -0.74 0.81 1.55 0.00 0.00 0.00 175.10 176.64 3gpw h PRO 55 N 7.25 -0.66 -6.63 2.72 0.13 -2.01 -3.45 132.00 129.36 3gpw h PRO 55 Ca -0.07 0.04 -0.52 0.00 -0.87 0.00 0.00 66.00 64.59 3gpw h PRO 55 Cb 0.97 0.15 0.05 0.00 0.13 0.00 0.00 31.00 32.30 3gpw h PRO 55 CO 0.65 -0.44 1.00 0.34 -0.23 0.00 0.00 178.00 179.32 3gpw s ASP 56 N -4.60 6.43 0.35 1.44 -1.08 -1.26 -4.88 116.67 113.07 3gpw s ASP 56 Ca -0.10 2.80 0.27 0.00 -0.52 0.00 0.00 52.55 54.99 3gpw s ASP 56 Cb 0.01 -2.59 0.91 0.00 -1.46 0.00 0.00 42.92 39.79 3gpw s ASP 56 CO 0.30 -0.94 1.78 0.11 0.52 0.00 0.00 175.17 176.93 3gpw h LYS 57 N 7.03 0.00 -0.00 4.34 1.57 -2.06 -2.94 116.57 124.50 3gpw h LYS 57 Ca -0.43 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.35 3gpw h LYS 57 Cb 1.20 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.51 3gpw h LYS 57 CO 0.95 0.00 -0.06 1.28 -0.57 0.00 0.00 179.45 181.04 3gpw n LEU 58 N -2.61 0.16 -4.84 2.94 4.77 -1.26 -4.88 117.00 111.27 3gpw n LEU 58 Ca 0.03 0.23 -0.32 0.00 -0.03 0.00 0.00 56.01 55.92 3gpw n LEU 58 Cb 0.36 -0.29 -0.06 0.00 -2.33 0.00 0.00 43.42 41.09 3gpw n LEU 58 CO 0.27 0.03 0.48 -0.76 -1.33 0.00 0.00 177.39 176.09 3gpw s LEU 59 N -2.65 4.00 -0.66 2.23 1.43 -1.11 -5.02 118.68 116.90 3gpw s LEU 59 Ca 0.25 1.37 -0.19 0.00 -1.03 0.00 0.00 54.13 54.53 3gpw s LEU 59 Cb 0.20 -4.20 0.11 0.00 0.03 0.00 0.00 46.19 42.33 3gpw s LEU 59 CO 0.49 -0.27 0.78 -0.62 0.23 0.00 0.00 176.35 176.96 3gpw s ASP 60 N -2.36 6.28 0.48 2.29 3.68 -1.26 -4.92 116.67 120.85 3gpw s ASP 60 Ca 0.56 -1.56 0.35 0.00 2.13 0.00 0.00 52.55 54.03 3gpw s ASP 60 Cb -0.10 -2.32 1.50 0.00 -1.45 0.00 0.00 42.92 40.55 3gpw s ASP 60 CO 0.18 -1.10 1.64 -0.65 0.13 0.00 0.00 175.17 175.37 3gpw h PRO 61 N 9.08 0.07 0.00 4.34 0.11 -1.95 0.07 132.00 143.72 3gpw h PRO 61 Ca -0.21 -0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.88 3gpw h PRO 61 Cb 1.07 -0.02 -0.00 0.00 0.11 0.00 0.00 31.00 32.17 3gpw h PRO 61 CO 1.08 0.04 -0.08 1.79 -0.21 0.00 0.00 178.00 180.63 3gpw h THR 62 N 0.07 0.38 -0.25 -1.15 1.35 -2.05 -2.54 112.91 108.72 3gpw h THR 62 Ca 0.81 -0.43 0.00 0.00 -0.55 0.00 0.00 66.41 66.24 3gpw h THR 62 Cb 2.79 1.31 0.00 0.00 -1.73 0.00 0.00 68.15 70.51 3gpw h THR 62 CO -0.27 0.08 0.00 0.35 -0.25 0.00 0.00 175.52 175.43 3gpw n THR 63 N -3.47 0.31 -3.43 6.82 -2.24 0.01 -4.81 114.28 107.47 3gpw n THR 63 Ca -0.02 -0.57 -0.44 0.00 -2.27 0.00 0.00 64.05 60.76 3gpw n THR 63 Cb 0.22 0.89 -0.08 0.00 -2.10 0.00 0.00 70.33 69.25 3gpw n THR 63 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3gpw s VAL 64 N -1.69 5.07 0.00 2.28 1.01 -0.96 -5.04 120.40 121.07 3gpw s VAL 64 Ca 0.35 -1.11 -0.17 0.00 0.00 0.00 0.00 61.98 61.06 3gpw s VAL 64 Cb 0.21 -4.03 0.03 0.00 0.00 0.00 0.00 36.38 32.59 3gpw s VAL 64 CO 0.30 -0.56 0.36 -0.55 0.00 0.00 0.00 175.10 174.66 3gpw s SER 65 N 2.50 -0.24 -0.08 3.32 0.15 -1.26 -5.01 113.70 113.08 3gpw s SER 65 Ca 0.04 0.07 0.11 0.00 0.70 0.00 0.00 55.95 56.87 3gpw s SER 65 Cb -0.24 0.36 0.17 0.00 -1.71 0.00 0.00 66.02 64.60 3gpw s SER 65 CO 0.06 -0.54 1.06 -1.22 1.20 0.00 0.00 173.24 173.81 3gpw n TYR 66 N 0.96 0.00 -4.72 3.44 4.02 -1.26 -4.99 117.16 114.60 3gpw n TYR 66 Ca -0.20 -0.71 -0.33 0.00 -0.01 0.00 0.00 57.90 56.65 3gpw n TYR 66 Cb 0.57 -0.11 -0.12 0.00 -0.02 0.00 0.00 39.34 39.67 3gpw n TYR 66 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 176.86 176.27 3gpw s ILE 67 N -1.94 3.44 0.01 -0.72 1.01 -1.26 -0.53 121.20 121.21 3gpw s ILE 67 Ca 0.19 -0.57 0.03 0.00 0.00 0.00 0.00 60.65 60.29 3gpw s ILE 67 Cb 0.17 -2.39 -0.01 0.00 0.01 0.00 0.00 42.46 40.23 3gpw s ILE 67 CO 0.02 0.59 -0.08 -0.36 0.00 0.00 0.00 174.94 175.10 3gpw s PHE 68 N -0.68 0.73 -0.57 3.97 0.08 0.89 -4.99 117.98 117.41 3gpw s PHE 68 Ca 0.10 -0.25 -0.19 0.00 0.12 0.00 0.00 56.93 56.71 3gpw s PHE 68 Cb -0.11 -0.45 0.09 0.00 -0.57 0.00 0.00 43.02 41.97 3gpw s PHE 68 CO 0.01 -0.02 0.70 0.00 -0.10 0.00 0.00 175.22 175.82 3gpw h ILE 70 N 5.91 1.28 -3.79 0.00 2.04 -1.47 -3.48 117.51 118.00 3gpw h ILE 70 Ca -0.29 -2.37 -0.16 0.00 1.00 0.00 0.00 64.86 63.04 3gpw h ILE 70 Cb 1.09 2.58 -0.07 0.00 -0.74 0.00 0.00 36.82 39.68 3gpw h ILE 70 CO 1.06 0.73 -0.10 -0.94 0.00 0.00 0.00 178.15 178.90 3gpw s SER 71 N -7.37 0.41 0.47 1.72 1.04 -0.94 -4.54 113.70 104.49 3gpw s SER 71 Ca -0.10 -1.24 0.20 0.00 0.48 0.00 0.00 55.95 55.29 3gpw s SER 71 Cb 0.06 0.66 1.19 0.00 0.10 0.00 0.00 66.02 68.03 3gpw s SER 71 CO 0.93 -1.29 1.95 -0.09 0.98 0.00 0.00 173.24 175.71 3gpw h ARG 72 N 2.15 0.25 0.00 4.02 9.65 -1.93 -2.94 114.38 125.57 3gpw h ARG 72 Ca -0.28 -0.01 0.00 0.00 -1.10 0.00 0.00 59.98 58.58 3gpw h ARG 72 Cb 1.25 -0.06 0.00 0.00 -1.39 0.00 0.00 29.97 29.77 3gpw h ARG 72 CO 0.38 0.16 -1.03 0.25 2.80 0.00 0.00 179.97 182.53 3gpw n THR 73 N -4.43 0.00 -4.56 0.20 -2.24 -1.26 -1.81 114.28 100.17 3gpw n THR 73 Ca 0.13 -0.25 -0.33 0.00 -2.27 0.00 0.00 64.05 61.33 3gpw n THR 73 Cb 0.57 0.63 -0.13 0.00 -2.10 0.00 0.00 70.33 69.31 3gpw n THR 73 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 3gpw s ILE 74 N -2.47 3.60 0.13 2.28 1.01 -1.11 -4.40 121.20 120.23 3gpw s ILE 74 Ca 0.00 -0.48 0.09 0.00 0.00 0.00 0.00 60.65 60.27 3gpw s ILE 74 Cb 0.08 -2.54 -0.04 0.00 0.01 0.00 0.00 42.46 39.98 3gpw s ILE 74 CO 0.50 0.52 -0.20 -0.83 0.00 0.00 0.00 174.94 174.94 3gpw s GLY 75 N 0.12 1.67 -0.03 6.18 0.00 -0.30 -1.12 107.32 113.84 3gpw s GLY 75 Ca -0.03 -1.39 -0.01 0.00 0.00 0.00 0.00 44.72 43.29 3gpw s GLY 75 CO 0.03 -1.37 0.06 -0.29 0.00 0.00 0.00 173.10 171.53 3gpw s MET 76 N -2.18 -0.02 -0.10 2.90 0.00 -0.08 -1.00 119.30 118.82 3gpw s MET 76 Ca 0.18 0.26 -0.02 0.00 0.00 0.00 0.00 55.69 56.11 3gpw s MET 76 Cb -0.10 -0.27 -0.03 0.00 0.00 0.00 0.00 34.83 34.42 3gpw s MET 76 CO 0.10 -0.20 -0.02 0.54 0.00 0.00 0.00 175.02 175.44 3gpw s VAL 77 N 1.28 4.09 -0.11 10.11 0.11 -0.63 -0.08 120.40 135.17 3gpw s VAL 77 Ca -0.07 -0.32 0.01 0.00 -2.93 0.00 0.00 61.98 58.67 3gpw s VAL 77 Cb -0.13 -2.72 -0.01 0.00 -1.53 0.00 0.00 36.38 31.99 3gpw s VAL 77 CO -0.04 0.58 -0.16 -0.69 -3.33 0.00 0.00 175.10 171.46 3gpw s VAL 78 N -0.58 2.81 -0.41 2.04 1.01 0.31 -1.43 120.40 124.15 3gpw s VAL 78 Ca 0.09 -0.76 -0.08 0.00 0.00 0.00 0.00 61.98 61.23 3gpw s VAL 78 Cb -0.12 -2.15 0.08 0.00 0.00 0.00 0.00 36.38 34.19 3gpw s VAL 78 CO 0.02 0.54 0.24 0.20 0.00 0.00 0.00 175.10 176.10 3gpw s ASN 79 N 0.22 5.58 0.00 3.32 -0.87 -0.64 -4.87 114.94 117.68 3gpw s ASN 79 Ca -0.10 -1.50 0.00 0.00 -1.57 0.00 0.00 52.86 49.69 3gpw s ASN 79 Cb -0.16 -1.96 0.00 0.00 -0.02 0.00 0.00 41.25 39.11 3gpw s ASN 79 CO 0.06 -0.52 0.00 0.61 -2.57 0.00 0.00 177.10 174.68 3gpw n GLY 80 N 4.89 1.25 3.50 0.66 0.00 -1.17 -1.97 105.19 112.35 3gpw n GLY 80 Ca -0.10 -1.38 -0.43 0.00 0.00 0.00 0.00 46.02 44.11 3gpw n GLY 80 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3gpw n PRO 81 N -1.30 0.80 -0.17 1.61 -0.02 -1.26 -4.78 135.00 129.88 3gpw n PRO 81 Ca 0.00 0.29 -0.09 0.00 -2.02 0.00 0.00 63.50 61.68 3gpw n PRO 81 Cb 0.00 -1.62 0.01 0.00 -0.02 0.00 0.00 33.50 31.86 3gpw n PRO 81 CO 0.00 0.00 0.00 0.97 1.98 0.00 0.00 175.50 178.45 3gpw h ILE 82 N 1.15 1.23 -0.55 4.25 6.09 -1.98 -2.18 117.51 125.51 3gpw h ILE 82 Ca -0.40 -0.75 0.04 0.00 -1.37 0.00 0.00 64.86 62.38 3gpw h ILE 82 Cb 1.38 0.80 -0.04 0.00 0.47 0.00 0.00 36.82 39.43 3gpw h ILE 82 CO 0.54 0.27 0.30 1.55 -3.07 0.00 0.00 178.15 177.75 3gpw h PRO 83 N 0.65 0.57 -0.25 2.19 0.13 -1.99 0.20 132.00 133.50 3gpw h PRO 83 Ca 0.16 -0.03 -0.07 0.00 -0.87 0.00 0.00 66.00 65.18 3gpw h PRO 83 Cb 0.27 -0.13 -0.01 0.00 0.13 0.00 0.00 31.00 31.25 3gpw h PRO 83 CO -0.01 0.38 -0.16 -0.44 -0.23 0.00 0.00 178.00 177.54 3gpw h ASP 84 N 0.58 0.42 -0.27 1.44 3.45 -1.92 -1.75 116.42 118.36 3gpw h ASP 84 Ca 0.24 -0.11 -0.01 0.00 0.43 0.00 0.00 57.03 57.58 3gpw h ASP 84 Cb 0.11 -0.11 -0.01 0.00 -0.56 0.00 0.00 39.33 38.76 3gpw h ASP 84 CO -0.14 0.60 0.15 0.00 -1.57 0.00 0.00 179.24 178.28 3gpw h ALA 85 N 1.44 0.35 0.00 3.45 0.00 -0.46 -1.24 119.26 122.80 3gpw h ALA 85 Ca 0.07 -0.07 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 3gpw h ALA 85 Cb 0.52 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 3gpw h ALA 85 CO 0.03 -0.12 -0.27 0.00 0.00 0.00 0.00 179.25 178.89 3gpw h ARG 86 N 0.32 0.00 -0.26 0.00 3.08 -0.41 -0.75 114.38 116.37 3gpw h ARG 86 Ca 0.10 0.00 -0.18 0.00 0.07 0.00 0.00 59.98 59.97 3gpw h ARG 86 Cb 0.07 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.12 3gpw h ARG 86 CO -0.02 0.27 -0.55 -0.97 -1.07 0.00 0.00 179.97 177.63 3gpw h ASN 87 N 0.00 0.87 0.06 7.04 -0.00 -0.89 -2.13 115.58 120.53 3gpw h ASN 87 Ca -0.00 -0.47 -0.16 0.00 -0.00 0.00 0.00 56.30 55.67 3gpw h ASN 87 Cb 0.61 -0.25 -0.01 0.00 -0.00 0.00 0.00 38.32 38.68 3gpw h ASN 87 CO 0.03 1.25 -0.56 0.00 -0.00 0.00 0.00 177.43 178.15 3gpw h ALA 88 N 0.77 0.70 0.12 1.57 0.00 -0.68 -2.82 119.26 118.93 3gpw h ALA 88 Ca 0.01 -0.52 -0.01 0.00 0.00 0.00 0.00 54.91 54.40 3gpw h ALA 88 Cb 1.14 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.85 3gpw h ALA 88 CO 0.12 0.69 -0.06 0.00 0.00 0.00 0.00 179.25 180.00 3gpw h ALA 89 N 0.98 -0.17 -0.16 0.00 0.00 -1.09 -1.56 119.26 117.26 3gpw h ALA 89 Ca 0.00 -0.14 0.04 0.00 0.00 0.00 0.00 54.91 54.81 3gpw h ALA 89 Cb 1.11 0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.92 3gpw h ALA 89 CO 0.10 -0.47 -0.10 1.25 0.00 0.00 0.00 179.25 180.04 3gpw h LEU 90 N -0.42 -0.32 -0.67 0.00 5.85 -1.42 -0.57 115.31 117.76 3gpw h LEU 90 Ca -0.02 0.07 0.06 0.00 0.84 0.00 0.00 57.88 58.83 3gpw h LEU 90 Cb 0.34 0.17 -0.05 0.00 0.37 0.00 0.00 40.66 41.48 3gpw h LEU 90 CO 0.03 -0.13 0.37 -0.09 -0.34 0.00 0.00 178.44 178.28 3gpw h ARG 91 N -0.09 0.67 -0.84 1.25 9.65 -1.48 -0.57 114.38 122.96 3gpw h ARG 91 Ca 0.09 -0.04 -0.03 0.00 -1.10 0.00 0.00 59.98 58.90 3gpw h ARG 91 Cb 0.23 -0.15 -0.04 0.00 -1.39 0.00 0.00 29.97 28.62 3gpw h ARG 91 CO -0.22 0.44 0.41 0.00 2.80 0.00 0.00 179.97 183.40 3gpw h ALA 92 N 1.35 1.09 -0.10 2.80 0.00 -0.65 0.69 119.26 124.44 3gpw h ALA 92 Ca 0.30 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 3gpw h ALA 92 Cb 0.19 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 17.64 3gpw h ALA 92 CO -0.18 0.65 0.02 0.87 0.00 0.00 0.00 179.25 180.61 3gpw h LYS 93 N 1.20 0.15 -0.23 0.00 1.57 -0.43 0.18 116.57 119.01 3gpw h LYS 93 Ca 0.29 -0.04 0.03 0.00 -1.87 0.00 0.00 60.65 59.07 3gpw h LYS 93 Cb 0.12 -0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.37 3gpw h LYS 93 CO -0.04 0.33 0.02 0.00 -0.57 0.00 0.00 179.45 179.20 3gpw h ALA 94 N 0.81 0.22 -0.86 3.86 0.00 -0.89 0.08 119.26 122.49 3gpw h ALA 94 Ca 0.03 0.05 0.02 0.00 0.00 0.00 0.00 54.91 55.01 3gpw h ALA 94 Cb 0.25 0.08 -0.05 0.00 0.00 0.00 0.00 17.79 18.07 3gpw h ALA 94 CO 0.00 -0.40 0.56 0.93 0.00 0.00 0.00 179.25 180.34 3gpw h GLU 95 N 0.10 1.10 -0.55 0.00 4.39 -0.73 -1.05 114.58 117.84 3gpw h GLU 95 Ca 0.11 -0.07 -0.10 0.00 0.34 0.00 0.00 59.36 59.64 3gpw h GLU 95 Cb 0.12 -0.25 -0.02 0.00 -0.10 0.00 0.00 28.75 28.50 3gpw h GLU 95 CO -0.16 0.73 -0.05 0.00 -1.16 0.00 0.00 179.01 178.36 3gpw h ALA 96 N 1.33 0.86 -0.25 3.43 0.00 0.16 -2.00 119.26 122.78 3gpw h ALA 96 Ca 0.32 -0.32 -0.10 0.00 0.00 0.00 0.00 54.91 54.81 3gpw h ALA 96 Cb -0.09 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.49 3gpw h ALA 96 CO -0.08 0.66 -0.23 0.00 0.00 0.00 0.00 179.25 179.59 3gpw h ALA 97 N 1.03 0.36 -0.60 0.00 0.00 -0.69 -3.02 119.26 116.34 3gpw h ALA 97 Ca 0.15 -0.37 -0.03 0.00 0.00 0.00 0.00 54.91 54.66 3gpw h ALA 97 Cb 0.60 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.28 3gpw h ALA 97 CO 0.04 0.32 0.24 1.49 0.00 0.00 0.00 179.25 181.34 3gpw h GLU 98 N 0.30 0.90 -0.76 0.00 4.81 -1.16 -2.09 114.58 116.58 3gpw h GLU 98 Ca 0.04 -0.16 0.09 0.00 -0.13 0.00 0.00 59.36 59.20 3gpw h GLU 98 Cb 0.78 -0.15 -0.07 0.00 0.63 0.00 0.00 28.75 29.94 3gpw h GLU 98 CO 0.06 0.76 0.42 0.35 -0.73 0.00 0.00 179.01 179.87 3gpw h PHE 99 N 0.83 0.75 -0.48 0.92 3.04 -1.37 0.50 116.94 121.13 3gpw h PHE 99 Ca 0.20 0.03 -0.06 0.00 3.98 0.00 0.00 57.97 62.12 3gpw h PHE 99 Cb 0.20 -0.22 -0.02 0.00 2.56 0.00 0.00 35.95 38.47 3gpw h PHE 99 CO 0.01 0.30 0.08 -0.09 -2.02 0.00 0.00 178.31 176.59 3gpw h ARG 100 N 0.71 0.80 -0.18 1.11 9.65 -1.36 0.39 114.38 125.50 3gpw h ARG 100 Ca 0.37 -0.22 -0.01 0.00 -1.10 0.00 0.00 59.98 59.02 3gpw h ARG 100 Cb 0.34 -0.09 -0.01 0.00 -1.39 0.00 0.00 29.97 28.82 3gpw h ARG 100 CO -0.25 0.81 0.09 -0.92 2.80 0.00 0.00 179.97 182.50 3gpw h TYR 101 N 0.67 0.26 -0.09 2.20 3.20 -0.62 0.09 116.97 122.68 3gpw h TYR 101 Ca 0.15 -0.01 -0.15 0.00 3.14 0.00 0.00 58.73 61.85 3gpw h TYR 101 Cb 0.40 -0.08 0.01 0.00 1.54 0.00 0.00 36.73 38.59 3gpw h TYR 101 CO 0.03 0.28 -0.54 0.87 -1.64 0.00 0.00 178.16 177.15 3gpw h LYS 102 N 0.17 0.52 -0.02 1.82 1.57 -0.85 -3.37 116.57 116.42 3gpw h LYS 102 Ca 0.06 -0.45 0.00 0.00 -1.87 0.00 0.00 60.65 58.40 3gpw h LYS 102 Cb 0.11 0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.52 3gpw h LYS 102 CO -0.01 1.08 -0.22 0.66 -0.57 0.00 0.00 179.45 180.39 3gpw n TYR 103 N -4.21 0.00 -1.07 -1.35 4.01 0.12 -5.00 117.16 109.66 3gpw n TYR 103 Ca -0.08 0.00 -0.02 0.00 -0.16 0.00 0.00 57.90 57.63 3gpw n TYR 103 Cb 0.62 0.00 -0.01 0.00 -0.31 0.00 0.00 39.34 39.64 3gpw n TYR 103 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3gpw n GLY 104 N 1.25 0.52 3.24 2.72 0.00 0.02 -5.00 105.19 107.94 3gpw n GLY 104 Ca 0.10 -0.21 -0.09 0.00 0.00 0.00 0.00 46.02 45.82 3gpw n GLY 104 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3gpw s TYR 105 N -1.83 0.05 0.24 1.61 -0.85 -1.24 -5.04 117.35 110.29 3gpw s TYR 105 Ca 0.00 -0.45 -0.30 0.00 -0.52 0.00 0.00 57.07 55.80 3gpw s TYR 105 Cb 0.00 0.04 -0.10 0.00 0.38 0.00 0.00 41.96 42.28 3gpw s TYR 105 CO 0.00 -0.60 1.49 -0.51 -1.52 0.00 0.00 175.55 174.41 3gpw s ASP 106 N -2.85 6.60 0.08 -0.18 -0.00 -1.26 -3.91 116.67 115.16 3gpw s ASP 106 Ca 0.05 2.69 -0.31 0.00 -0.00 0.00 0.00 52.55 54.98 3gpw s ASP 106 Cb 0.04 -2.62 -0.09 0.00 -0.00 0.00 0.00 42.92 40.25 3gpw s ASP 106 CO -0.11 -0.75 1.66 -0.32 -0.00 0.00 0.00 175.17 175.65 3gpw s MET 107 N -0.08 4.19 0.56 8.23 -2.45 -1.26 -4.96 119.30 123.53 3gpw s MET 107 Ca 0.62 2.36 -0.19 0.00 -1.25 0.00 0.00 55.69 57.23 3gpw s MET 107 Cb -0.43 -3.56 -0.05 0.00 1.25 0.00 0.00 34.83 32.04 3gpw s MET 107 CO 0.41 -0.73 1.15 -2.14 1.05 0.00 0.00 175.02 174.75 3gpw s PRO 108 N 2.52 3.24 0.14 4.11 0.02 -1.26 -4.84 135.00 138.93 3gpw s PRO 108 Ca 0.74 1.65 -0.20 0.00 0.02 0.00 0.00 61.00 63.21 3gpw s PRO 108 Cb -0.41 -1.99 0.02 0.00 0.02 0.00 0.00 34.50 32.15 3gpw s PRO 108 CO 0.33 -0.95 1.67 0.00 -0.33 0.00 0.00 177.00 177.72 3gpw h ASP 110 N -0.09 1.12 -0.29 0.00 -0.00 -1.95 -1.22 116.42 113.99 3gpw h ASP 110 Ca 0.13 -0.06 -0.04 0.00 -0.00 0.00 0.00 57.03 57.07 3gpw h ASP 110 Cb 0.29 -0.28 -0.01 0.00 -0.00 0.00 0.00 39.33 39.33 3gpw h ASP 110 CO -0.31 0.84 0.03 0.58 -0.00 0.00 0.00 179.24 180.38 3gpw h VAL 111 N 1.30 1.24 -0.96 4.15 2.07 -1.79 -0.08 116.25 122.18 3gpw h VAL 111 Ca 0.34 -0.85 0.05 0.00 0.82 0.00 0.00 66.70 67.07 3gpw h VAL 111 Cb -0.08 1.24 -0.06 0.00 -1.52 0.00 0.00 31.29 30.86 3gpw h VAL 111 CO -0.07 0.27 0.62 0.25 0.02 0.00 0.00 177.57 178.67 3gpw h LEU 112 N 0.30 1.00 0.27 2.57 5.85 -0.85 0.09 115.31 124.55 3gpw h LEU 112 Ca 0.09 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.79 3gpw h LEU 112 Cb 0.37 -0.22 0.00 0.00 0.37 0.00 0.00 40.66 41.19 3gpw h LEU 112 CO 0.01 0.66 -0.13 0.00 -0.34 0.00 0.00 178.44 178.64 3gpw h ALA 113 N 1.47 -0.37 -0.70 1.25 0.00 -0.78 -1.03 119.26 119.10 3gpw h ALA 113 Ca 0.40 -0.11 0.10 0.00 0.00 0.00 0.00 54.91 55.30 3gpw h ALA 113 Cb 0.11 0.14 -0.08 0.00 0.00 0.00 0.00 17.79 17.97 3gpw h ALA 113 CO -0.14 -0.66 0.32 -0.22 0.00 0.00 0.00 179.25 178.55 3gpw h LYS 114 N -0.47 0.52 -0.38 0.00 3.64 -0.42 0.24 116.57 119.70 3gpw h LYS 114 Ca -0.04 -0.03 0.01 0.00 -1.27 0.00 0.00 60.65 59.32 3gpw h LYS 114 Cb 0.35 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 32.03 3gpw h LYS 114 CO 0.06 0.34 0.24 -0.09 -2.27 0.00 0.00 179.45 177.73 3gpw h ARG 115 N 0.53 0.47 -0.27 1.90 9.65 -0.78 0.79 114.38 126.68 3gpw h ARG 115 Ca 0.35 -0.03 -0.11 0.00 -1.10 0.00 0.00 59.98 59.10 3gpw h ARG 115 Cb 0.41 -0.11 -0.01 0.00 -1.39 0.00 0.00 29.97 28.87 3gpw h ARG 115 CO -0.30 0.31 -0.28 0.52 2.80 0.00 0.00 179.97 183.03 3gpw h MET 116 N 0.49 0.54 -0.71 0.20 2.86 -0.19 -2.11 114.93 116.00 3gpw h MET 116 Ca 0.14 -0.22 -0.06 0.00 -2.06 0.00 0.00 59.70 57.51 3gpw h MET 116 Cb -0.04 -0.02 -0.03 0.00 0.06 0.00 0.00 31.60 31.57 3gpw h MET 116 CO -0.04 0.76 0.22 0.00 1.06 0.00 0.00 176.91 178.91 3gpw h ALA 117 N 1.24 0.93 -0.59 6.32 0.00 -0.04 -1.69 119.26 125.43 3gpw h ALA 117 Ca 0.06 -0.22 -0.07 0.00 0.00 0.00 0.00 54.91 54.68 3gpw h ALA 117 Cb 0.72 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 3gpw h ALA 117 CO 0.06 0.62 0.11 -0.91 0.00 0.00 0.00 179.25 179.12 3gpw h ASN 118 N 1.05 0.93 -0.73 0.00 -0.26 -0.56 0.19 115.58 116.20 3gpw h ASN 118 Ca 0.23 -0.25 0.01 0.00 -0.56 0.00 0.00 56.30 55.72 3gpw h ASN 118 Cb 0.31 -0.25 -0.04 0.00 -1.06 0.00 0.00 38.32 37.29 3gpw h ASN 118 CO -0.01 0.95 0.48 -0.07 -1.06 0.00 0.00 177.43 177.72 3gpw h LEU 119 N 0.88 0.85 -0.10 1.61 4.07 -1.16 -1.55 115.31 119.91 3gpw h LEU 119 Ca 0.18 -0.02 -0.04 0.00 0.08 0.00 0.00 57.88 58.07 3gpw h LEU 119 Cb 0.41 -0.21 -0.00 0.00 1.08 0.00 0.00 40.66 41.93 3gpw h LEU 119 CO 0.01 0.62 -0.11 0.28 -1.08 0.00 0.00 178.44 178.16 3gpw h SER 120 N 1.00 0.26 -0.96 -0.43 0.02 -0.57 -2.89 113.55 109.99 3gpw h SER 120 Ca 0.27 -0.49 0.26 0.00 -0.84 0.00 0.00 61.79 60.98 3gpw h SER 120 Cb -0.11 -0.07 -0.13 0.00 0.14 0.00 0.00 62.40 62.22 3gpw h SER 120 CO -0.06 0.70 0.50 -0.61 -1.14 0.00 0.00 176.83 176.23 3gpw h GLN 121 N -0.17 0.42 -0.30 3.45 -0.00 -0.05 -0.02 115.11 118.44 3gpw h GLN 121 Ca 0.01 -0.03 0.01 0.00 -0.00 0.00 0.00 58.65 58.65 3gpw h GLN 121 Cb 0.63 -0.09 -0.02 0.00 0.00 0.00 0.00 27.48 28.00 3gpw h GLN 121 CO 0.03 0.28 0.17 0.82 0.00 0.00 0.00 178.83 180.12 3gpw h ILE 122 N 0.43 1.03 0.00 2.39 2.04 -1.09 -1.54 117.51 120.77 3gpw h ILE 122 Ca 0.64 -0.12 0.00 0.00 1.00 0.00 0.00 64.86 66.37 3gpw h ILE 122 Cb 1.29 0.64 0.00 0.00 -0.74 0.00 0.00 36.82 38.01 3gpw h ILE 122 CO -0.54 0.06 0.00 1.88 0.00 0.00 0.00 178.15 179.55 3gpw h TYR 123 N 0.35 0.00 0.00 1.37 0.05 -0.94 0.24 116.97 118.05 3gpw h TYR 123 Ca 0.12 0.00 -0.09 0.00 0.05 0.00 0.00 58.73 58.81 3gpw h TYR 123 Cb 0.00 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 37.73 3gpw h TYR 123 CO -0.08 0.00 -0.44 1.15 -1.05 0.00 0.00 178.16 177.75 3gpw h THR 124 N 0.00 0.88 0.00 -2.88 2.02 -0.87 -3.37 112.91 108.69 3gpw h THR 124 Ca 0.00 -1.83 -0.21 0.00 0.77 0.00 0.00 66.41 65.14 3gpw h THR 124 Cb 0.11 2.14 -0.04 0.00 -1.74 0.00 0.00 68.15 68.63 3gpw h THR 124 CO 0.00 0.43 -1.79 1.67 0.37 0.00 0.00 175.52 176.19 3gpw n GLN 125 N -3.40 1.54 -3.33 6.66 7.27 0.57 -4.80 117.38 121.90 3gpw n GLN 125 Ca 0.01 0.02 -0.38 0.00 0.07 0.00 0.00 57.00 56.72 3gpw n GLN 125 Cb 0.61 -1.29 -0.06 0.00 2.41 0.00 0.00 30.24 31.90 3gpw n GLN 125 CO 0.00 0.00 0.00 1.03 0.07 0.00 0.00 177.06 178.16 3gpw s ARG 126 N -2.28 4.30 0.55 3.69 0.52 0.32 -4.98 118.95 121.07 3gpw s ARG 126 Ca -0.10 0.39 0.33 0.00 -0.52 0.00 0.00 55.73 55.82 3gpw s ARG 126 Cb 0.04 -3.46 1.58 0.00 0.52 0.00 0.00 34.95 33.63 3gpw s ARG 126 CO 0.42 0.11 2.08 0.00 0.02 0.00 0.00 175.30 177.93 3gpw h ALA 127 N 6.87 1.11 0.00 2.13 0.00 -1.87 -3.12 119.26 124.38 3gpw h ALA 127 Ca -0.40 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.45 3gpw h ALA 127 Cb 1.17 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.95 3gpw h ALA 127 CO 0.75 0.09 -0.45 2.48 0.00 0.00 0.00 179.25 182.11 3gpw n TYR 128 N -3.33 0.43 -3.86 0.00 0.18 -1.26 -4.73 117.16 104.60 3gpw n TYR 128 Ca -0.01 0.13 -0.35 0.00 1.88 0.00 0.00 57.90 59.54 3gpw n TYR 128 Cb 0.24 -0.59 -0.09 0.00 -0.38 0.00 0.00 39.34 38.52 3gpw n TYR 128 CO 0.00 0.00 0.00 -1.64 -2.08 0.00 0.00 176.86 173.14 3gpw s MET 129 N -3.11 4.02 0.29 -3.48 -1.94 -1.18 -5.09 119.30 108.81 3gpw s MET 129 Ca 0.09 -0.31 -0.10 0.00 -1.71 0.00 0.00 55.69 53.66 3gpw s MET 129 Cb 0.15 -3.33 -0.07 0.00 2.01 0.00 0.00 34.83 33.58 3gpw s MET 129 CO 0.68 0.21 0.62 -0.98 -0.01 0.00 0.00 175.02 175.53 3gpw s ARG 130 N 0.59 3.79 0.87 2.03 1.70 -1.26 -4.70 118.95 121.97 3gpw s ARG 130 Ca 0.05 0.31 -0.12 0.00 -0.47 0.00 0.00 55.73 55.51 3gpw s ARG 130 Cb -0.12 -2.57 0.11 0.00 -0.57 0.00 0.00 34.95 31.80 3gpw s ARG 130 CO 0.01 0.21 1.10 -2.14 -1.08 0.00 0.00 175.30 173.40 3gpw s PRO 131 N -3.17 1.48 -0.14 3.89 0.02 -1.26 -4.88 135.00 130.94 3gpw s PRO 131 Ca 0.48 0.69 -0.11 0.00 0.02 0.00 0.00 61.00 62.08 3gpw s PRO 131 Cb -0.11 -1.84 -0.05 0.00 0.02 0.00 0.00 34.50 32.52 3gpw s PRO 131 CO 0.24 -2.06 0.23 -0.51 -0.33 0.00 0.00 177.00 174.58 3gpw s LEU 132 N -6.07 4.31 -1.52 -5.54 1.43 -1.26 -4.98 118.68 105.05 3gpw s LEU 132 Ca 0.63 0.50 -0.10 0.00 -1.03 0.00 0.00 54.13 54.13 3gpw s LEU 132 Cb -0.16 -2.26 -0.09 0.00 0.03 0.00 0.00 46.19 43.70 3gpw s LEU 132 CO 0.56 0.23 2.99 0.61 0.23 0.00 0.00 176.35 180.97 3gpw n GLY 133 N 2.83 4.20 3.12 -3.19 0.00 -1.26 -4.56 105.19 106.33 3gpw n GLY 133 Ca -0.15 -1.50 -0.08 0.00 0.00 0.00 0.00 46.02 44.29 3gpw n GLY 133 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3gpw s VAL 134 N 1.98 0.19 -0.12 1.61 -7.23 -1.26 -3.47 120.40 112.10 3gpw s VAL 134 Ca 0.69 -1.59 0.02 0.00 -1.81 0.00 0.00 61.98 59.29 3gpw s VAL 134 Cb 0.19 -1.42 0.01 0.00 0.56 0.00 0.00 36.38 35.72 3gpw s VAL 134 CO -0.06 -0.88 -0.18 -0.63 -0.31 0.00 0.00 175.10 173.05 3gpw s ILE 135 N -3.81 1.70 -0.19 -0.62 1.01 -0.83 -3.79 121.20 114.66 3gpw s ILE 135 Ca 0.06 -0.76 -0.06 0.00 0.00 0.00 0.00 60.65 59.88 3gpw s ILE 135 Cb 0.06 -1.53 -0.03 0.00 0.01 0.00 0.00 42.46 40.97 3gpw s ILE 135 CO -0.10 0.48 0.04 -0.76 0.00 0.00 0.00 174.94 174.60 3gpw s LEU 136 N 0.94 3.56 -0.28 2.97 1.43 -0.15 -1.62 118.68 125.54 3gpw s LEU 136 Ca -0.06 -0.06 -0.03 0.00 -1.03 0.00 0.00 54.13 52.95 3gpw s LEU 136 Cb -0.15 -1.90 0.03 0.00 0.03 0.00 0.00 46.19 44.20 3gpw s LEU 136 CO -0.02 0.11 -0.00 -0.89 0.23 0.00 0.00 176.35 175.78 3gpw s THR 137 N 0.72 3.18 -0.12 5.49 2.01 -0.51 -0.32 115.64 126.09 3gpw s THR 137 Ca 0.02 -1.08 -0.06 0.00 0.31 0.00 0.00 61.69 60.88 3gpw s THR 137 Cb -0.14 -2.70 -0.04 0.00 0.01 0.00 0.00 72.50 69.64 3gpw s THR 137 CO 0.02 0.05 0.11 -0.36 -0.69 0.00 0.00 174.62 173.76 3gpw s PHE 138 N 1.34 3.50 0.03 4.92 0.40 0.27 -1.61 117.98 126.83 3gpw s PHE 138 Ca -0.01 0.45 -0.00 0.00 -0.60 0.00 0.00 56.93 56.77 3gpw s PHE 138 Cb -0.18 -1.92 -0.03 0.00 0.51 0.00 0.00 43.02 41.41 3gpw s PHE 138 CO -0.02 0.67 -0.03 0.14 0.70 0.00 0.00 175.22 176.68 3gpw s VAL 139 N -0.94 0.18 -0.10 -0.44 -7.23 -0.17 -1.25 120.40 110.46 3gpw s VAL 139 Ca 0.14 -1.14 0.00 0.00 -1.81 0.00 0.00 61.98 59.17 3gpw s VAL 139 Cb -0.12 -0.60 0.00 0.00 0.56 0.00 0.00 36.38 36.23 3gpw s VAL 139 CO 0.03 -0.61 0.00 -1.54 -0.31 0.00 0.00 175.10 172.67 3gpw n SER 140 N 1.22 0.00 -3.87 4.85 3.41 -1.05 -1.15 113.62 117.04 3gpw n SER 140 Ca -0.21 0.00 -0.29 0.00 -0.26 0.00 0.00 58.87 58.11 3gpw n SER 140 Cb 0.56 0.00 -0.13 0.00 -0.26 0.00 0.00 64.21 64.39 3gpw n SER 140 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3gpw s VAL 141 N -2.19 2.53 0.31 -3.33 1.01 -1.26 -0.03 120.40 117.44 3gpw s VAL 141 Ca 0.00 -3.78 -0.28 0.00 0.00 0.00 0.00 61.98 57.92 3gpw s VAL 141 Cb 0.00 -2.70 -0.13 0.00 0.00 0.00 0.00 36.38 33.55 3gpw s VAL 141 CO 0.00 -0.95 1.19 -0.67 0.00 0.00 0.00 175.10 174.67 3gpw n ASP 142 N 2.46 2.16 0.15 3.32 2.03 -0.60 -4.63 116.55 121.44 3gpw n ASP 142 Ca 0.15 1.19 0.12 0.00 0.52 0.00 0.00 54.79 56.77 3gpw n ASP 142 Cb 0.35 -1.40 0.53 0.00 -0.72 0.00 0.00 41.12 39.88 3gpw n ASP 142 CO 0.00 0.00 0.00 -1.84 -1.92 0.00 0.00 177.20 173.44 3gpw n GLU 143 N 0.80 0.20 -0.04 -0.67 0.28 -1.26 -1.17 120.64 118.77 3gpw n GLU 143 Ca 0.08 0.48 -0.05 0.00 -0.16 0.00 0.00 57.16 57.50 3gpw n GLU 143 Cb 0.34 -1.91 -0.04 0.00 1.43 0.00 0.00 31.44 31.25 3gpw n GLU 143 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 3gpw n GLU 14 N -2.29 1.11 0.00 3.44 1.02 -1.26 -4.79 120.64 117.87 3gpw n GLU 14 Ca 0.01 0.03 0.10 0.00 -0.02 0.00 0.00 57.16 57.29 3gpw n GLU 14 Cb 0.20 -1.17 -0.11 0.00 -0.02 0.00 0.00 31.44 30.34 3gpw n GLU 14 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 3gpw n LEU 144 N -2.58 0.65 0.00 -4.62 4.77 -1.22 -5.10 117.00 108.90 3gpw n LEU 144 Ca -0.14 -0.28 0.00 0.00 -0.03 0.00 0.00 56.01 55.56 3gpw n LEU 144 Cb 0.68 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.75 3gpw n LEU 144 CO 0.11 0.15 0.00 0.61 -1.33 0.00 0.00 177.39 176.92 3gpw n GLY 145 N 1.42 -1.89 3.58 -0.72 0.00 -0.32 -4.85 105.19 102.41 3gpw n GLY 145 Ca 0.02 -1.50 -0.52 0.00 0.00 0.00 0.00 46.02 44.01 3gpw n GLY 145 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3gpw n PRO 146 N 0.00 1.06 -4.23 1.61 -0.02 -1.26 -1.56 135.00 130.60 3gpw n PRO 146 Ca 0.00 0.38 -0.17 0.00 -2.02 0.00 0.00 63.50 61.69 3gpw n PRO 146 Cb 0.00 -2.00 -0.15 0.00 -0.02 0.00 0.00 33.50 31.33 3gpw n PRO 146 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 3gpw s SER 147 N 0.40 0.81 -0.14 2.55 0.01 0.96 -4.87 113.70 113.42 3gpw s SER 147 Ca 0.84 -0.12 -0.01 0.00 1.31 0.00 0.00 55.95 57.97 3gpw s SER 147 Cb -0.97 -0.14 0.03 0.00 0.21 0.00 0.00 66.02 65.16 3gpw s SER 147 CO 0.48 0.06 -0.05 -0.63 0.41 0.00 0.00 173.24 173.51 3gpw s ILE 148 N 0.00 0.95 -0.05 1.44 1.01 -1.26 -2.52 121.20 120.78 3gpw s ILE 148 Ca 0.00 -0.40 0.02 0.00 0.00 0.00 0.00 60.65 60.27 3gpw s ILE 148 Cb -0.04 -1.09 0.02 0.00 0.01 0.00 0.00 42.46 41.36 3gpw s ILE 148 CO -0.00 0.21 -0.08 -0.31 0.00 0.00 0.00 174.94 174.76 3gpw s TYR 149 N 1.72 0.98 0.02 3.97 2.02 -0.38 -0.42 117.35 125.26 3gpw s TYR 149 Ca 0.03 -0.30 0.06 0.00 -0.37 0.00 0.00 57.07 56.49 3gpw s TYR 149 Cb -0.14 -0.77 -0.02 0.00 -0.40 0.00 0.00 41.96 40.63 3gpw s TYR 149 CO -0.08 -0.19 -0.18 0.21 -1.57 0.00 0.00 175.55 173.74 3gpw s LYS 150 N 0.66 1.32 0.08 -0.62 2.20 -1.01 0.96 119.74 123.33 3gpw s LYS 150 Ca -0.11 -0.77 0.07 0.00 -0.36 0.00 0.00 55.97 54.81 3gpw s LYS 150 Cb -0.13 -1.34 -0.03 0.00 -1.51 0.00 0.00 37.83 34.81 3gpw s LYS 150 CO 0.01 0.35 -0.19 0.95 -0.36 0.00 0.00 175.35 176.12 3gpw s THR 151 N -0.63 1.50 0.47 3.43 -4.23 0.57 -2.91 115.64 113.83 3gpw s THR 151 Ca 0.06 -1.36 0.03 0.00 -1.18 0.00 0.00 61.69 59.24 3gpw s THR 151 Cb -0.08 -1.36 -0.03 0.00 1.34 0.00 0.00 72.50 72.38 3gpw s THR 151 CO 0.01 -0.04 0.03 1.51 -0.54 0.00 0.00 174.62 175.59 3gpw s ASP 152 N -1.63 3.73 0.00 3.99 1.47 -0.92 -0.97 116.67 122.34 3gpw s ASP 152 Ca 0.04 -1.61 0.04 0.00 1.18 0.00 0.00 52.55 52.21 3gpw s ASP 152 Cb -0.09 0.36 0.20 0.00 -0.34 0.00 0.00 42.92 43.05 3gpw s ASP 152 CO 0.03 -0.80 1.03 -2.65 0.68 0.00 0.00 175.17 173.46 3gpw n PRO 153 N -1.12 0.04 0.00 2.11 -0.02 -1.25 -1.38 135.00 133.38 3gpw n PRO 153 Ca -0.14 0.31 0.12 0.00 -2.02 0.00 0.00 63.50 61.78 3gpw n PRO 153 Cb 0.67 -1.50 0.29 0.00 -0.02 0.00 0.00 33.50 32.94 3gpw n PRO 153 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3gpw n ALA 154 N -1.37 3.38 -0.75 3.55 0.00 -1.26 -4.81 120.51 119.26 3gpw n ALA 154 Ca 0.02 -0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.08 3gpw n ALA 154 Cb 0.04 -1.12 0.00 0.00 0.00 0.00 0.00 19.45 18.37 3gpw n ALA 154 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gpw n GLY 155 N 1.44 0.59 3.87 0.00 0.00 -0.48 -4.54 105.19 106.07 3gpw n GLY 155 Ca 0.08 -0.32 -0.32 0.00 0.00 0.00 0.00 46.02 45.46 3gpw n GLY 155 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3gpw s TYR 156 N -2.00 3.43 0.04 1.61 6.14 -1.26 -4.59 117.35 120.72 3gpw s TYR 156 Ca 0.00 0.94 -0.26 0.00 0.64 0.00 0.00 57.07 58.39 3gpw s TYR 156 Cb 0.00 -2.31 0.07 0.00 0.42 0.00 0.00 41.96 40.13 3gpw s TYR 156 CO 0.00 0.25 0.61 1.52 0.64 0.00 0.00 175.55 178.58 3gpw s TYR 157 N -1.82 -0.56 0.09 4.97 1.13 -1.26 -2.16 117.35 117.74 3gpw s TYR 157 Ca 0.48 0.70 -0.26 0.00 -1.41 0.00 0.00 57.07 56.58 3gpw s TYR 157 Cb -0.11 0.44 0.08 0.00 -1.10 0.00 0.00 41.96 41.27 3gpw s TYR 157 CO 0.20 -0.70 0.86 0.54 -2.51 0.00 0.00 175.55 173.95 3gpw s VAL 158 N -2.36 0.00 0.30 -3.49 0.11 -1.15 -4.99 120.40 108.82 3gpw s VAL 158 Ca -0.06 -0.31 -0.06 0.00 -2.93 0.00 0.00 61.98 58.62 3gpw s VAL 158 Cb -0.01 -1.43 -0.05 0.00 -1.53 0.00 0.00 36.38 33.36 3gpw s VAL 158 CO -0.01 0.00 0.58 -0.83 -3.33 0.00 0.00 175.10 171.52 3gpw s GLY 159 N -2.72 1.88 0.12 6.54 0.00 -1.26 -2.40 107.32 109.49 3gpw s GLY 159 Ca 0.08 -0.50 0.04 0.00 0.00 0.00 0.00 44.72 44.34 3gpw s GLY 159 CO -0.04 -0.38 -0.11 -0.19 0.00 0.00 0.00 173.10 172.38 3gpw s TYR 160 N -2.12 1.22 0.07 1.90 1.51 0.43 -4.98 117.35 115.39 3gpw s TYR 160 Ca 0.45 -0.67 0.00 0.00 -1.01 0.00 0.00 57.07 55.85 3gpw s TYR 160 Cb -0.11 -0.64 -0.26 0.00 -0.11 0.00 0.00 41.96 40.85 3gpw s TYR 160 CO 0.30 0.07 1.11 0.87 -1.11 0.00 0.00 175.55 176.79 3gpw h LYS 161 N 3.27 0.17 -2.12 -0.62 1.57 -1.89 -3.38 116.57 113.57 3gpw h LYS 161 Ca -0.38 -0.29 0.16 0.00 -1.87 0.00 0.00 60.65 58.28 3gpw h LYS 161 Cb 1.19 0.11 -0.14 0.00 0.08 0.00 0.00 32.23 33.47 3gpw h LYS 161 CO 0.56 1.09 0.56 0.00 -0.57 0.00 0.00 179.45 181.10 3gpw s ALA 162 N -2.66 -1.85 0.17 3.86 0.00 -1.26 -3.62 121.76 116.39 3gpw s ALA 162 Ca -0.03 0.86 -0.24 0.00 0.00 0.00 0.00 51.96 52.55 3gpw s ALA 162 Cb 0.08 0.39 0.06 0.00 0.00 0.00 0.00 23.12 23.65 3gpw s ALA 162 CO 0.86 -0.79 0.85 -0.08 0.00 0.00 0.00 175.76 176.60 3gpw s THR 163 N -3.01 0.00 0.05 0.00 -1.32 -0.52 -4.97 115.64 105.87 3gpw s THR 163 Ca 0.08 -0.59 -0.05 0.00 -1.21 0.00 0.00 61.69 59.92 3gpw s THR 163 Cb -0.01 -1.75 -0.02 0.00 -1.51 0.00 0.00 72.50 69.22 3gpw s THR 163 CO -0.05 0.00 0.07 0.00 -2.21 0.00 0.00 174.62 172.43 3gpw s ALA 164 N -3.48 0.07 -0.18 11.08 0.00 -1.26 -0.37 121.76 127.62 3gpw s ALA 164 Ca 0.10 -0.75 -0.14 0.00 0.00 0.00 0.00 51.96 51.17 3gpw s ALA 164 Cb -0.03 0.30 0.05 0.00 0.00 0.00 0.00 23.12 23.45 3gpw s ALA 164 CO 0.00 -0.36 0.46 0.99 0.00 0.00 0.00 175.76 176.85 3gpw s THR 165 N -3.17 -0.01 -4.29 0.00 2.01 0.25 -4.94 115.64 105.48 3gpw s THR 165 Ca -0.00 0.04 0.00 0.00 0.31 0.00 0.00 61.69 62.03 3gpw s THR 165 Cb 0.02 -0.66 0.00 0.00 0.01 0.00 0.00 72.50 71.87 3gpw s THR 165 CO -0.07 0.01 0.00 0.61 -0.69 0.00 0.00 174.62 174.48 3gpw n GLY 166 N 3.48 0.92 0.25 4.40 0.00 -1.26 -1.13 105.19 111.85 3gpw n GLY 166 Ca -0.18 -1.98 0.02 0.00 0.00 0.00 0.00 46.02 43.89 3gpw n GLY 166 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3gpw h PRO 167 N 7.65 0.44 -0.90 1.61 0.11 -1.89 -2.09 132.00 136.93 3gpw h PRO 167 Ca 0.00 -0.03 -0.55 0.00 0.11 0.00 0.00 66.00 65.53 3gpw h PRO 167 Cb 0.00 -0.10 -0.29 0.00 0.11 0.00 0.00 31.00 30.72 3gpw h PRO 167 CO 0.00 0.29 0.55 1.63 -0.21 0.00 0.00 178.00 180.26 3gpw n LYS 168 N -4.98 2.49 0.01 1.05 5.02 -1.26 -4.67 118.16 115.83 3gpw n LYS 168 Ca 0.11 -3.24 -0.10 0.00 -2.02 0.00 0.00 58.31 53.06 3gpw n LYS 168 Cb 0.32 -2.19 -0.03 0.00 -0.02 0.00 0.00 35.03 33.10 3gpw n LYS 168 CO 0.00 0.00 0.00 0.37 -0.52 0.00 0.00 177.40 177.25 3gpw h GLN 169 N 1.52 -0.26 -0.91 1.97 -0.00 -1.68 -2.87 115.11 112.87 3gpw h GLN 169 Ca 0.56 0.02 0.17 0.00 -0.00 0.00 0.00 58.65 59.39 3gpw h GLN 169 Cb 1.75 0.06 -0.10 0.00 0.00 0.00 0.00 27.48 29.19 3gpw h GLN 169 CO 1.21 -0.18 0.49 0.37 0.00 0.00 0.00 178.83 180.72 3gpw h GLN 170 N -0.27 0.63 -0.05 1.69 5.75 -1.84 -0.15 115.11 120.87 3gpw h GLN 170 Ca 0.09 -0.04 -0.00 0.00 -0.15 0.00 0.00 58.65 58.55 3gpw h GLN 170 Cb 0.41 -0.14 -0.00 0.00 1.07 0.00 0.00 27.48 28.81 3gpw h GLN 170 CO -0.26 0.42 0.01 0.93 -2.65 0.00 0.00 178.83 177.28 3gpw h GLU 171 N 0.65 0.08 -0.46 1.69 3.07 -1.88 -1.57 114.58 116.16 3gpw h GLU 171 Ca 0.52 -0.02 0.03 0.00 -0.50 0.00 0.00 59.36 59.38 3gpw h GLU 171 Cb 0.78 -0.01 -0.03 0.00 -0.84 0.00 0.00 28.75 28.65 3gpw h GLU 171 CO -0.39 0.28 0.26 0.82 -1.40 0.00 0.00 179.01 178.58 3gpw h ILE 172 N -0.13 1.02 -0.04 3.13 1.08 -1.28 -1.62 117.51 119.68 3gpw h ILE 172 Ca 0.02 -0.18 0.03 0.00 -0.39 0.00 0.00 64.86 64.33 3gpw h ILE 172 Cb 0.23 0.46 -0.03 0.00 -3.07 0.00 0.00 36.82 34.41 3gpw h ILE 172 CO -0.00 0.09 -0.13 0.74 -0.69 0.00 0.00 178.15 178.17 3gpw h THR 173 N 0.52 0.68 -0.39 -0.27 2.02 -0.92 -0.69 112.91 113.86 3gpw h THR 173 Ca 0.19 0.00 -0.06 0.00 0.77 0.00 0.00 66.41 67.31 3gpw h THR 173 Cb 0.04 0.68 -0.02 0.00 -1.74 0.00 0.00 68.15 67.11 3gpw h THR 173 CO -0.10 0.00 0.01 0.71 0.37 0.00 0.00 175.52 176.51 3gpw h THR 174 N -0.19 1.21 0.29 3.16 1.35 -1.14 0.16 112.91 117.74 3gpw h THR 174 Ca 0.06 -0.85 -0.00 0.00 -0.55 0.00 0.00 66.41 65.07 3gpw h THR 174 Cb 0.27 0.91 -0.01 0.00 -1.73 0.00 0.00 68.15 67.59 3gpw h THR 174 CO -0.15 0.29 -0.21 -1.13 -0.25 0.00 0.00 175.52 174.07 3gpw h ASN 175 N 0.58 -0.55 -0.67 5.36 -0.73 -0.78 -0.49 115.58 118.30 3gpw h ASN 175 Ca 0.12 0.04 -0.02 0.00 1.87 0.00 0.00 56.30 58.31 3gpw h ASN 175 Cb 0.36 0.18 -0.03 0.00 0.27 0.00 0.00 38.32 39.09 3gpw h ASN 175 CO 0.01 -0.33 0.34 -0.07 -0.37 0.00 0.00 177.43 177.02 3gpw h LEU 176 N -0.50 0.86 -0.54 0.34 3.38 -0.80 -2.16 115.31 115.90 3gpw h LEU 176 Ca -0.02 -0.12 0.07 0.00 0.09 0.00 0.00 57.88 57.90 3gpw h LEU 176 Cb 0.44 -0.22 -0.06 0.00 0.09 0.00 0.00 40.66 40.91 3gpw h LEU 176 CO -0.00 0.73 0.22 -0.33 0.09 0.00 0.00 178.44 179.15 3gpw h GLU 177 N 0.93 0.40 -0.17 1.13 5.08 -0.46 -1.64 114.58 119.84 3gpw h GLU 177 Ca 0.23 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.57 3gpw h GLU 177 Cb 0.08 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.23 3gpw h GLU 177 CO -0.03 0.27 0.11 -0.91 -1.00 0.00 0.00 179.01 177.44 3gpw h ASN 178 N 0.42 0.20 -0.86 1.42 -0.26 -0.74 -2.74 115.58 113.01 3gpw h ASN 178 Ca 0.26 -0.02 0.09 0.00 -0.56 0.00 0.00 56.30 56.07 3gpw h ASN 178 Cb 0.26 -0.05 -0.07 0.00 -1.06 0.00 0.00 38.32 37.40 3gpw h ASN 178 CO -0.24 0.15 0.51 -0.74 -1.06 0.00 0.00 177.43 176.05 3gpw h HIS 179 N 0.22 0.93 0.00 1.19 2.76 -0.75 -2.21 115.15 117.29 3gpw h HIS 179 Ca 0.06 0.03 -0.01 0.00 -2.20 0.00 0.00 60.37 58.25 3gpw h HIS 179 Cb -0.01 -0.29 -0.00 0.00 1.55 0.00 0.00 27.41 28.65 3gpw h HIS 179 CO -0.06 0.41 -0.02 1.19 -1.30 0.00 0.00 177.93 178.15 3gpw n PHE 17 N -4.69 0.00 0.00 5.26 3.72 -0.68 -0.84 117.46 120.23 3gpw n PHE 17 Ca 0.14 -0.80 0.00 0.00 -0.05 0.00 0.00 57.45 56.74 3gpw n PHE 17 Cb 0.25 -0.52 0.00 0.00 -0.94 0.00 0.00 39.48 38.27 3gpw n PHE 17 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 176.76 177.88 3gpw n LYS 17 N 1.70 0.00 0.21 -1.08 4.81 -0.83 -1.16 118.16 121.81 3gpw n LYS 17 Ca 0.03 0.00 0.05 0.00 -0.87 0.00 0.00 58.31 57.52 3gpw n LYS 17 Cb 0.41 0.00 0.47 0.00 0.02 0.00 0.00 35.03 35.93 3gpw n LYS 17 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 3gpw h SER 17 N 0.00 0.00 0.00 3.14 4.64 -1.26 -3.46 113.55 116.60 3gpw h SER 17 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3gpw h SER 17 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3gpw h SER 17 CO 0.00 0.27 0.00 0.29 -0.87 0.00 0.00 176.83 176.52 3gpw n LYS 17 N -4.05 -0.18 -4.24 4.77 5.02 -0.31 -4.99 118.16 114.19 3gpw n LYS 17 Ca -0.02 0.05 -0.23 0.00 -2.02 0.00 0.00 58.31 56.08 3gpw n LYS 17 Cb 0.33 -3.45 -0.07 0.00 -0.02 0.00 0.00 35.03 31.82 3gpw n LYS 17 CO 0.00 0.00 0.00 0.96 -0.52 0.00 0.00 177.40 177.84 3gpw s ILE 18 N -2.49 3.07 -0.59 -0.18 -4.36 -1.26 -5.05 121.20 110.34 3gpw s ILE 18 Ca 0.00 -1.86 0.00 0.00 -0.26 0.00 0.00 60.65 58.53 3gpw s ILE 18 Cb 0.00 -2.87 0.50 0.00 1.25 0.00 0.00 42.46 41.35 3gpw s ILE 18 CO 0.00 -0.26 1.96 -0.90 0.24 0.00 0.00 174.94 175.97 3gpw n ASP 18 N -0.99 6.51 -3.60 4.36 5.75 -1.26 -4.85 116.55 122.46 3gpw n ASP 18 Ca -0.05 -3.75 -0.03 0.00 -0.01 0.00 0.00 54.79 50.96 3gpw n ASP 18 Cb 0.61 -0.91 -0.02 0.00 -1.03 0.00 0.00 41.12 39.77 3gpw n ASP 18 CO 0.00 0.00 0.00 -1.38 -0.11 0.00 0.00 177.20 175.71 3gpw s HIS 18 N -3.68 -0.11 -0.66 2.11 -3.43 -1.26 -4.87 115.29 103.39 3gpw s HIS 18 Ca 0.62 0.04 -0.27 0.00 -0.80 0.00 0.00 55.06 54.65 3gpw s HIS 18 Cb 0.50 0.52 0.03 0.00 -1.43 0.00 0.00 32.58 32.20 3gpw s HIS 18 CO 0.02 -0.24 1.20 0.42 -2.00 0.00 0.00 174.74 174.15 3gpw s ILE 18 N -2.44 3.92 -0.31 -5.38 -1.09 0.36 -5.00 121.20 111.25 3gpw s ILE 18 Ca 0.11 0.55 -0.28 0.00 -2.23 0.00 0.00 60.65 58.80 3gpw s ILE 18 Cb 0.00 -4.80 -0.03 0.00 -1.58 0.00 0.00 42.46 36.06 3gpw s ILE 18 CO -0.04 -1.58 1.89 0.21 -1.23 0.00 0.00 174.94 174.19 3gpw s ASN 184 N 3.36 5.78 0.00 3.58 3.04 -1.26 -3.24 114.94 126.20 3gpw s ASN 184 Ca 0.37 1.41 0.00 0.00 0.04 0.00 0.00 52.86 54.68 3gpw s ASN 184 Cb -0.09 -2.52 0.00 0.00 -1.54 0.00 0.00 41.25 37.10 3gpw s ASN 184 CO 0.19 -1.78 0.00 -0.62 -3.04 0.00 0.00 177.10 171.86 3gpw n GLU 18 N 8.51 2.31 -3.97 0.43 4.71 -1.26 -5.00 120.64 126.37 3gpw n GLU 18 Ca 0.24 0.00 -0.36 0.00 -0.01 0.00 0.00 57.16 57.03 3gpw n GLU 18 Cb 0.46 -0.79 -0.07 0.00 -1.01 0.00 0.00 31.44 30.04 3gpw n GLU 18 CO 0.00 0.00 0.00 -1.54 0.09 0.00 0.00 177.13 175.68 3gpw s SER 18 N -2.15 6.18 0.37 1.62 1.04 -1.26 -4.86 113.70 114.65 3gpw s SER 18 Ca 0.00 0.40 0.14 0.00 0.48 0.00 0.00 55.95 56.97 3gpw s SER 18 Cb 0.00 -1.95 0.74 0.00 0.10 0.00 0.00 66.02 64.90 3gpw s SER 18 CO 0.00 0.40 1.82 4.11 0.98 0.00 0.00 173.24 180.55 3gpw h TRP 186 N 4.94 0.00 -0.53 5.02 5.08 -1.99 -2.88 115.95 125.60 3gpw h TRP 186 Ca -0.54 0.00 0.09 0.00 1.08 0.00 0.00 58.89 59.52 3gpw h TRP 186 Cb 1.22 0.00 -0.07 0.00 -3.00 0.00 0.00 29.16 27.31 3gpw h TRP 186 CO 0.73 0.37 0.11 0.93 -1.28 0.00 0.00 178.44 179.31 3gpw h GLU 187 N 0.00 0.24 -0.20 0.12 3.07 -1.99 0.55 114.58 116.38 3gpw h GLU 187 Ca -0.00 -0.01 -0.11 0.00 -0.50 0.00 0.00 59.36 58.73 3gpw h GLU 187 Cb 0.68 -0.06 -0.01 0.00 -0.84 0.00 0.00 28.75 28.52 3gpw h GLU 187 CO 0.05 0.16 -0.34 0.87 -1.40 0.00 0.00 179.01 178.35 3gpw h LYS 188 N 0.25 0.42 -0.49 2.33 1.79 -1.94 -0.92 116.57 118.01 3gpw h LYS 188 Ca 0.27 -0.18 -0.10 0.00 -2.18 0.00 0.00 60.65 58.46 3gpw h LYS 188 Cb 0.36 -0.01 -0.02 0.00 -1.58 0.00 0.00 32.23 30.99 3gpw h LYS 188 CO -0.34 0.71 -0.07 0.28 -1.08 0.00 0.00 179.45 178.95 3gpw h VAL 189 N 0.36 1.27 -0.89 0.50 2.07 -0.91 0.16 116.25 118.81 3gpw h VAL 189 Ca 0.04 -1.19 0.02 0.00 0.82 0.00 0.00 66.70 66.39 3gpw h VAL 189 Cb 0.77 1.03 -0.05 0.00 -1.52 0.00 0.00 31.29 31.52 3gpw h VAL 189 CO 0.06 0.42 0.59 0.58 0.02 0.00 0.00 177.57 179.23 3gpw h VAL 190 N 0.78 1.19 -0.31 2.57 2.07 0.37 0.67 116.25 123.59 3gpw h VAL 190 Ca 0.13 -0.40 -0.06 0.00 0.82 0.00 0.00 66.70 67.20 3gpw h VAL 190 Cb 0.62 -0.07 -0.01 0.00 -1.52 0.00 0.00 31.29 30.30 3gpw h VAL 190 CO 0.04 0.21 -0.04 -0.33 0.02 0.00 0.00 177.57 177.47 3gpw h GLU 191 N 1.16 0.56 -0.40 1.57 5.08 -0.46 -0.51 114.58 121.57 3gpw h GLU 191 Ca 0.34 -0.20 0.03 0.00 -1.00 0.00 0.00 59.36 58.54 3gpw h GLU 191 Cb -0.06 -0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.12 3gpw h GLU 191 CO -0.09 0.73 0.19 0.35 -1.00 0.00 0.00 179.01 179.19 3gpw h PHE 192 N 0.35 0.34 0.25 4.33 3.04 -0.11 0.18 116.94 125.32 3gpw h PHE 192 Ca 0.08 0.02 0.01 0.00 3.98 0.00 0.00 57.97 62.06 3gpw h PHE 192 Cb 0.50 -0.10 -0.03 0.00 2.56 0.00 0.00 35.95 38.88 3gpw h PHE 192 CO 0.04 0.17 -0.39 0.00 -2.02 0.00 0.00 178.31 176.11 3gpw h ALA 193 N 1.22 -0.77 -0.79 2.41 0.00 -0.64 -1.50 119.26 119.20 3gpw h ALA 193 Ca 0.17 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 3gpw h ALA 193 Cb 0.10 0.61 -0.04 0.00 0.00 0.00 0.00 17.79 18.46 3gpw h ALA 193 CO -0.13 -0.98 0.43 0.82 0.00 0.00 0.00 179.25 179.38 3gpw h ILE 194 N -0.71 1.23 0.52 0.00 2.04 -0.79 -1.89 117.51 117.91 3gpw h ILE 194 Ca -0.00 -0.58 -0.02 0.00 1.00 0.00 0.00 64.86 65.26 3gpw h ILE 194 Cb 0.68 0.17 -0.01 0.00 -0.74 0.00 0.00 36.82 36.92 3gpw h ILE 194 CO -0.15 0.26 -0.39 0.74 0.00 0.00 0.00 178.15 178.61 3gpw h THR 195 N 1.10 0.20 0.00 -0.27 2.02 -0.26 -1.46 112.91 114.24 3gpw h THR 195 Ca 0.28 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.44 3gpw h THR 195 Cb 0.03 0.20 -0.00 0.00 -1.74 0.00 0.00 68.15 66.64 3gpw h THR 195 CO -0.04 0.00 -0.08 0.45 0.37 0.00 0.00 175.52 176.22 3gpw h HIS 196 N -0.89 0.00 -0.21 3.16 3.86 -1.19 -0.74 115.15 119.14 3gpw h HIS 196 Ca -0.06 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.15 3gpw h HIS 196 Cb 0.76 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.22 3gpw h HIS 196 CO -0.16 0.08 0.10 1.98 0.86 0.00 0.00 177.93 180.79 3gpw h MET 197 N 0.00 0.30 0.50 2.45 -1.53 -0.69 -1.38 114.93 114.57 3gpw h MET 197 Ca -0.00 -0.05 -0.02 0.00 -3.44 0.00 0.00 59.70 56.19 3gpw h MET 197 Cb 0.24 -0.05 0.00 0.00 -0.55 0.00 0.00 31.60 31.24 3gpw h MET 197 CO 0.01 0.33 -0.24 0.82 0.14 0.00 0.00 176.91 177.97 3gpw h ILE 198 N 0.20 0.49 -0.33 1.77 2.04 -0.16 -0.72 117.51 120.81 3gpw h ILE 198 Ca 0.07 -0.17 0.07 0.00 1.00 0.00 0.00 64.86 65.83 3gpw h ILE 198 Cb 0.13 0.57 -0.08 0.00 -0.74 0.00 0.00 36.82 36.70 3gpw h ILE 198 CO -0.01 0.03 -0.27 0.44 0.00 0.00 0.00 178.15 178.34 3gpw h ASP 199 N -0.78 -0.90 -0.33 1.72 3.45 -1.18 1.14 116.42 119.54 3gpw h ASP 199 Ca -0.07 0.17 -0.02 0.00 0.43 0.00 0.00 57.03 57.54 3gpw h ASP 199 Cb 0.56 0.43 -0.01 0.00 -0.56 0.00 0.00 39.33 39.75 3gpw h ASP 199 CO 0.11 -0.29 0.12 0.00 -1.57 0.00 0.00 179.24 177.61 3gpw h ALA 200 N 0.83 0.43 -0.00 3.45 0.00 -1.25 -2.94 119.26 119.77 3gpw h ALA 200 Ca 0.16 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3gpw h ALA 200 Cb 0.50 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.16 3gpw h ALA 200 CO -0.47 0.05 -0.19 1.28 0.00 0.00 0.00 179.25 179.92 3gpw n LEU 201 N -4.69 0.41 -3.29 0.00 4.77 -0.28 -4.79 117.00 109.13 3gpw n LEU 201 Ca -0.01 0.10 -0.24 0.00 -0.03 0.00 0.00 56.01 55.83 3gpw n LEU 201 Cb 0.15 -0.27 0.03 0.00 -2.33 0.00 0.00 43.42 41.01 3gpw n LEU 201 CO 0.37 0.08 0.05 0.61 -1.33 0.00 0.00 177.39 177.17 3gpw n GLY 202 N 1.39 -0.52 3.18 -0.72 0.00 0.39 -4.98 105.19 103.93 3gpw n GLY 202 Ca 0.10 0.15 -0.14 0.00 0.00 0.00 0.00 46.02 46.14 3gpw n GLY 202 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3gpw s THR 203 N -3.17 0.93 0.15 2.61 2.01 -1.09 -5.04 115.64 112.04 3gpw s THR 203 Ca 0.41 -1.71 -0.02 0.00 0.31 0.00 0.00 61.69 60.68 3gpw s THR 203 Cb -0.19 -1.43 -0.05 0.00 0.01 0.00 0.00 72.50 70.83 3gpw s THR 203 CO 0.51 -0.61 0.35 -0.70 -0.69 0.00 0.00 174.62 173.48 3gpw s GLU 204 N -2.98 3.54 0.03 4.92 2.56 -1.26 -4.50 118.70 121.01 3gpw s GLU 204 Ca 0.07 -0.26 0.05 0.00 0.00 0.00 0.00 54.97 54.84 3gpw s GLU 204 Cb -0.02 -2.88 -0.02 0.00 2.00 0.00 0.00 34.13 33.21 3gpw s GLU 204 CO -0.00 0.47 -0.16 -0.06 -0.56 0.00 0.00 175.26 174.95 3gpw s PHE 205 N -1.71 1.37 0.49 5.30 0.40 -1.26 -5.09 117.98 117.48 3gpw s PHE 205 Ca 0.39 -0.33 0.08 0.00 -0.60 0.00 0.00 56.93 56.47 3gpw s PHE 205 Cb -0.12 -0.83 0.08 0.00 0.51 0.00 0.00 43.02 42.66 3gpw s PHE 205 CO 0.27 0.03 0.65 -1.13 0.70 0.00 0.00 175.22 175.74 3gpw n SER 206 N 2.09 1.86 0.16 1.36 3.41 -1.26 -4.98 113.62 116.25 3gpw n SER 206 Ca -0.17 -2.33 0.13 0.00 -0.26 0.00 0.00 58.87 56.24 3gpw n SER 206 Cb 0.54 -0.33 0.53 0.00 -0.26 0.00 0.00 64.21 64.69 3gpw n SER 206 CO 0.00 0.00 0.00 0.07 -0.16 0.00 0.00 175.04 174.95 3gpw h LYS 207 N 0.00 0.00 -0.47 4.33 2.10 -1.94 -2.93 116.57 117.67 3gpw h LYS 207 Ca -0.24 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.41 3gpw h LYS 207 Cb 1.06 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.39 3gpw h LYS 207 CO 0.34 0.00 0.00 0.09 -2.00 0.00 0.00 179.45 177.88 3gpw n ASN 208 N -2.40 3.65 -0.00 7.07 3.02 -1.26 -4.29 115.26 121.05 3gpw n ASN 208 Ca 0.02 -2.25 0.09 0.00 -0.03 0.00 0.00 54.58 52.40 3gpw n ASN 208 Cb 0.24 -0.40 -0.11 0.00 -0.61 0.00 0.00 39.78 38.90 3gpw n ASN 208 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 3gpw n ASP 209 N 0.69 0.86 -4.69 6.41 10.43 -1.10 -4.71 116.55 124.43 3gpw n ASP 209 Ca 0.18 -0.86 -0.30 0.00 2.57 0.00 0.00 54.79 56.39 3gpw n ASP 209 Cb 0.63 1.08 -0.09 0.00 1.84 0.00 0.00 41.12 44.59 3gpw n ASP 209 CO 0.00 0.00 0.00 -0.76 -1.07 0.00 0.00 177.20 175.37 3gpw s LEU 210 N -3.04 2.66 -0.20 0.64 1.43 -1.26 0.23 118.68 119.15 3gpw s LEU 210 Ca 0.06 -1.46 -0.09 0.00 -1.03 0.00 0.00 54.13 51.61 3gpw s LEU 210 Cb 0.14 -0.88 0.08 0.00 0.03 0.00 0.00 46.19 45.56 3gpw s LEU 210 CO 0.79 -0.64 0.45 -0.70 0.23 0.00 0.00 176.35 176.48 3gpw s GLU 211 N -3.81 0.40 -0.00 1.70 2.12 -0.31 -4.50 118.70 114.29 3gpw s GLU 211 Ca 0.24 0.96 0.05 0.00 0.36 0.00 0.00 54.97 56.58 3gpw s GLU 211 Cb 0.06 0.17 -0.01 0.00 0.26 0.00 0.00 34.13 34.61 3gpw s GLU 211 CO 0.13 -0.20 -0.17 0.08 -0.54 0.00 0.00 175.26 174.55 3gpw s VAL 212 N 1.98 1.37 -0.02 3.70 1.01 -1.26 -1.24 120.40 125.94 3gpw s VAL 212 Ca -0.06 -0.80 0.04 0.00 0.00 0.00 0.00 61.98 61.15 3gpw s VAL 212 Cb -0.10 -1.16 -0.01 0.00 0.00 0.00 0.00 36.38 35.12 3gpw s VAL 212 CO -0.14 0.34 -0.13 -0.83 0.00 0.00 0.00 175.10 174.35 3gpw s GLY 213 N -0.53 0.67 0.02 4.51 0.00 -0.19 -0.88 107.32 110.92 3gpw s GLY 213 Ca 0.06 -0.53 0.06 0.00 0.00 0.00 0.00 44.72 44.31 3gpw s GLY 213 CO -0.00 -0.34 -0.18 0.14 0.00 0.00 0.00 173.10 172.72 3gpw s VAL 214 N -0.10 1.41 -0.10 1.40 1.01 0.27 -1.25 120.40 123.04 3gpw s VAL 214 Ca 0.01 -0.96 0.02 0.00 0.00 0.00 0.00 61.98 61.05 3gpw s VAL 214 Cb -0.07 -1.22 0.01 0.00 0.00 0.00 0.00 36.38 35.10 3gpw s VAL 214 CO 0.00 0.23 -0.17 0.00 0.00 0.00 0.00 175.10 175.16 3gpw s ALA 215 N -0.65 1.79 0.41 5.51 0.00 0.21 0.28 121.76 129.32 3gpw s ALA 215 Ca 0.06 -0.77 0.04 0.00 0.00 0.00 0.00 51.96 51.29 3gpw s ALA 215 Cb -0.08 -0.80 -0.02 0.00 0.00 0.00 0.00 23.12 22.22 3gpw s ALA 215 CO 0.01 0.04 0.14 0.95 0.00 0.00 0.00 175.76 176.90 3gpw s THR 216 N 0.77 0.53 -0.13 0.00 -4.23 0.34 -1.04 115.64 111.87 3gpw s THR 216 Ca -0.11 -2.00 -0.36 0.00 -1.18 0.00 0.00 61.69 58.04 3gpw s THR 216 Cb -0.16 -2.32 -0.13 0.00 1.34 0.00 0.00 72.50 71.23 3gpw s THR 216 CO 0.02 0.00 1.80 1.17 -0.54 0.00 0.00 174.62 177.07 3gpw n LYS 217 N -0.92 1.80 -1.25 3.99 3.00 -1.26 -1.38 118.16 122.14 3gpw n LYS 217 Ca -0.06 0.66 -0.09 0.00 -0.00 0.00 0.00 58.31 58.83 3gpw n LYS 217 Cb 0.65 -2.44 -0.04 0.00 0.00 0.00 0.00 35.03 33.20 3gpw n LYS 217 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 3gpw n ASP 218 N 5.89 -5.40 -3.60 3.14 8.00 -1.26 -4.95 116.55 118.37 3gpw n ASP 218 Ca 0.23 0.21 -0.13 0.00 0.71 0.00 0.00 54.79 55.82 3gpw n ASP 218 Cb 0.24 -3.65 -0.06 0.00 -0.02 0.00 0.00 41.12 37.62 3gpw n ASP 218 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 3gpw s LYS 220 N -2.58 0.73 -0.05 -1.24 2.20 -0.48 -4.69 119.74 113.64 3gpw s LYS 220 Ca 0.00 0.55 0.02 0.00 -0.36 0.00 0.00 55.97 56.18 3gpw s LYS 220 Cb 0.00 0.35 0.01 0.00 -1.51 0.00 0.00 37.83 36.69 3gpw s LYS 220 CO 0.00 -0.15 -0.09 0.12 -0.36 0.00 0.00 175.35 174.86 3gpw s PHE 221 N -0.30 1.15 0.08 4.03 2.19 -0.75 0.13 117.98 124.51 3gpw s PHE 221 Ca -0.02 -0.38 -0.07 0.00 0.33 0.00 0.00 56.93 56.80 3gpw s PHE 221 Cb -0.03 -0.88 -0.01 0.00 -1.31 0.00 0.00 43.02 40.79 3gpw s PHE 221 CO 0.01 -0.21 0.13 -0.59 1.83 0.00 0.00 175.22 176.39 3gpw s PHE 222 N 0.63 0.25 0.04 10.12 -0.12 0.14 -4.91 117.98 124.14 3gpw s PHE 222 Ca -0.11 -0.71 0.02 0.00 -0.05 0.00 0.00 56.93 56.08 3gpw s PHE 222 Cb -0.14 -0.15 -0.04 0.00 -0.63 0.00 0.00 43.02 42.06 3gpw s PHE 222 CO 0.02 -0.50 0.03 0.95 -0.05 0.00 0.00 175.22 175.67 3gpw s THR 223 N -3.88 4.28 0.49 -4.49 -4.23 -1.26 0.97 115.64 107.53 3gpw s THR 223 Ca 0.06 -0.72 -0.07 0.00 -1.18 0.00 0.00 61.69 59.78 3gpw s THR 223 Cb 0.06 -2.99 -0.04 0.00 1.34 0.00 0.00 72.50 70.87 3gpw s THR 223 CO -0.11 0.25 0.83 -0.76 -0.54 0.00 0.00 174.62 174.29 3gpw s LEU 224 N -1.97 3.60 0.44 4.79 1.43 -0.06 -4.96 118.68 121.95 3gpw s LEU 224 Ca 0.24 1.06 0.03 0.00 -1.03 0.00 0.00 54.13 54.43 3gpw s LEU 224 Cb -0.12 -4.02 0.01 0.00 0.03 0.00 0.00 46.19 42.09 3gpw s LEU 224 CO 0.16 -0.59 0.63 -0.94 0.23 0.00 0.00 176.35 175.83 3gpw s SER 225 N -3.91 5.72 0.28 2.29 1.04 -1.26 -4.66 113.70 113.20 3gpw s SER 225 Ca 0.50 0.01 0.03 0.00 0.48 0.00 0.00 55.95 56.96 3gpw s SER 225 Cb -0.10 -1.20 0.67 0.00 0.10 0.00 0.00 66.02 65.48 3gpw s SER 225 CO 0.44 -0.74 1.73 0.00 0.98 0.00 0.00 173.24 175.65 3gpw h ALA 226 N 0.48 1.42 -0.18 5.32 0.00 -1.97 0.01 119.26 124.35 3gpw h ALA 226 Ca -0.44 0.12 -0.18 0.00 0.00 0.00 0.00 54.91 54.41 3gpw h ALA 226 Cb 1.27 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 19.11 3gpw h ALA 226 CO 0.53 -0.21 -0.62 0.93 0.00 0.00 0.00 179.25 179.88 3gpw h GLU 227 N 0.54 0.65 -0.43 0.00 4.39 -1.93 -0.39 114.58 117.39 3gpw h GLU 227 Ca 0.53 -0.45 -0.04 0.00 0.34 0.00 0.00 59.36 59.75 3gpw h GLU 227 Cb 0.90 0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 29.60 3gpw h GLU 227 CO -0.45 1.07 0.12 -0.91 -1.16 0.00 0.00 179.01 177.68 3gpw h ASN 228 N 0.48 0.59 0.07 1.42 -0.26 -1.53 -2.02 115.58 114.32 3gpw h ASN 228 Ca -0.01 -0.08 -0.00 0.00 -0.56 0.00 0.00 56.30 55.64 3gpw h ASN 228 Cb 1.20 -0.15 0.00 0.00 -1.06 0.00 0.00 38.32 38.31 3gpw h ASN 228 CO 0.12 0.58 -0.03 0.40 -1.06 0.00 0.00 177.43 177.44 3gpw h ILE 229 N 0.62 1.20 -0.66 2.81 1.08 -0.86 -2.98 117.51 118.72 3gpw h ILE 229 Ca 0.14 -1.04 0.14 0.00 -0.39 0.00 0.00 64.86 63.71 3gpw h ILE 229 Cb 0.22 1.87 -0.11 0.00 -3.07 0.00 0.00 36.82 35.73 3gpw h ILE 229 CO -0.01 0.25 0.02 -0.08 -0.69 0.00 0.00 178.15 177.65 3gpw h GLU 230 N -0.57 0.13 -0.44 2.37 4.57 -0.80 1.07 114.58 120.90 3gpw h GLU 230 Ca -0.01 -0.01 0.10 0.00 -1.18 0.00 0.00 59.36 58.26 3gpw h GLU 230 Cb 0.49 -0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 29.03 3gpw h GLU 230 CO 0.02 0.08 0.31 1.49 -1.18 0.00 0.00 179.01 179.73 3gpw h GLU 231 N 0.13 0.15 -0.03 1.92 4.81 -1.38 0.76 114.58 120.95 3gpw h GLU 231 Ca 0.35 -0.01 -0.07 0.00 -0.13 0.00 0.00 59.36 59.50 3gpw h GLU 231 Cb 0.58 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.93 3gpw h GLU 231 CO -0.56 0.10 -0.26 -0.09 -0.73 0.00 0.00 179.01 177.48 3gpw h ARG 232 N 0.16 0.22 -0.57 1.92 9.65 0.12 -2.82 114.38 123.06 3gpw h ARG 232 Ca 0.21 -0.20 -0.00 0.00 -1.10 0.00 0.00 59.98 58.88 3gpw h ARG 232 Cb 0.61 0.05 -0.03 0.00 -1.39 0.00 0.00 29.97 29.22 3gpw h ARG 232 CO -0.03 0.89 0.35 -0.07 2.80 0.00 0.00 179.97 183.91 3gpw h LEU 233 N -0.37 0.67 -0.02 3.80 4.07 0.54 -2.21 115.31 121.79 3gpw h LEU 233 Ca -0.02 -0.03 -0.00 0.00 0.08 0.00 0.00 57.88 57.90 3gpw h LEU 233 Cb 0.95 -0.17 -0.00 0.00 1.08 0.00 0.00 40.66 42.52 3gpw h LEU 233 CO 0.05 0.51 -0.00 0.58 -1.08 0.00 0.00 178.44 178.49 3gpw h VAL 234 N 0.78 1.28 -0.56 1.22 2.07 -0.95 -2.20 116.25 117.89 3gpw h VAL 234 Ca 0.21 -0.85 0.09 0.00 0.82 0.00 0.00 66.70 66.96 3gpw h VAL 234 Cb -0.05 1.82 -0.07 0.00 -1.52 0.00 0.00 31.29 31.47 3gpw h VAL 234 CO -0.04 0.23 0.18 0.00 0.02 0.00 0.00 177.57 177.96 3gpw h ALA 235 N 0.66 0.69 0.00 1.67 0.00 -1.21 -0.12 119.26 120.95 3gpw h ALA 235 Ca 0.01 0.09 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 3gpw h ALA 235 Cb 0.37 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 3gpw h ALA 235 CO 0.00 -0.23 -0.21 -0.84 0.00 0.00 0.00 179.25 177.97 3gpw h ILE 236 N 0.35 0.69 -0.23 0.00 -0.00 -1.38 -2.67 117.51 114.26 3gpw h ILE 236 Ca 0.28 -0.89 -0.13 0.00 -0.00 0.00 0.00 64.86 64.12 3gpw h ILE 236 Cb 0.35 1.57 -0.01 0.00 -0.00 0.00 0.00 36.82 38.73 3gpw h ILE 236 CO -0.31 0.20 -0.41 0.00 -0.00 0.00 0.00 178.15 177.64 3gpw h ALA 237 N 1.79 0.87 -0.24 0.16 0.00 -0.38 -3.15 119.26 118.30 3gpw h ALA 237 Ca -0.00 -0.44 -0.28 0.00 0.00 0.00 0.00 54.91 54.19 3gpw h ALA 237 Cb 0.55 -0.11 -0.10 0.00 0.00 0.00 0.00 17.79 18.13 3gpw h ALA 237 CO 0.03 0.64 0.05 0.39 0.00 0.00 0.00 179.25 180.36 3gpw n GLU 238 N -4.02 1.93 0.00 0.00 1.02 -0.83 -2.99 120.64 115.75 3gpw n GLU 238 Ca -0.02 -1.35 0.00 0.00 -0.02 0.00 0.00 57.16 55.78 3gpw n GLU 238 Cb 0.52 -1.82 0.00 0.00 -0.02 0.00 0.00 31.44 30.12 3gpw n GLU 238 CO 0.00 0.00 0.00 0.94 1.18 0.00 0.00 177.13 179.25 3gpw n GLN 239 N 1.48 1.09 0.00 3.49 7.27 -1.19 -5.04 117.38 124.47 3gpw n GLN 239 Ca 0.36 0.00 0.07 0.00 0.07 0.00 0.00 57.00 57.50 3gpw n GLN 239 Cb 0.68 -0.20 0.06 0.00 2.41 0.00 0.00 30.24 33.19 3gpw n GLN 239 CO 0.00 0.00 0.00 -0.25 0.07 0.00 0.00 177.06 176.88