#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gpw n ARG 5 N 0.00 -0.02 -0.28 -4.13 0.63 -1.26 0.91 116.66 112.51 3gpw n ARG 5 Ca 0.00 0.14 0.29 0.00 -0.92 0.00 0.00 57.85 57.35 3gpw n ARG 5 Cb 0.00 -0.21 0.65 0.00 0.45 0.00 0.00 32.46 33.35 3gpw n ARG 5 CO 0.00 0.00 0.00 -0.97 -2.51 0.00 0.00 177.63 174.15 3gpw h ASN 6 N 0.00 0.17 0.82 6.15 -1.24 -2.07 0.28 115.58 119.69 3gpw h ASN 6 Ca 0.03 0.03 0.00 0.00 0.71 0.00 0.00 56.30 57.07 3gpw h ASN 6 Cb 0.06 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.11 3gpw h ASN 6 CO -0.09 0.04 -0.26 0.59 -1.29 0.00 0.00 177.43 176.42 3gpw n ASN 7 N -4.37 0.32 -0.22 1.15 5.03 0.26 -4.01 115.26 113.42 3gpw n ASN 7 Ca 0.23 0.17 0.07 0.00 0.87 0.00 0.00 54.58 55.92 3gpw n ASN 7 Cb 1.02 -0.16 0.11 0.00 -1.02 0.00 0.00 39.78 39.74 3gpw n ASN 7 CO 0.00 0.00 0.00 -1.22 -1.83 0.00 0.00 177.26 174.21 3gpw n TYR 8 N -1.61 0.00 -1.17 3.10 4.01 0.91 -4.73 117.16 117.67 3gpw n TYR 8 Ca 0.06 -0.79 0.06 0.00 -0.16 0.00 0.00 57.90 57.06 3gpw n TYR 8 Cb 0.35 -0.13 0.08 0.00 -0.31 0.00 0.00 39.34 39.33 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 -1.07 1.60 0.00 7.72 3.85 -0.78 -4.48 116.55 123.40 3gpw n ASP 9 Ca 0.12 -2.58 0.12 0.00 -0.71 0.00 0.00 54.79 51.75 3gpw n ASP 9 Cb 0.66 -0.30 0.54 0.00 -1.35 0.00 0.00 41.12 40.68 3gpw n ASP 9 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3gpw n GLY 10 N -0.89 -1.38 3.61 6.12 0.00 -1.26 -4.60 105.19 106.79 3gpw n GLY 10 Ca 0.09 -0.09 -0.05 0.00 0.00 0.00 0.00 46.02 45.98 3gpw n GLY 10 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3gpw s ASP 11 N -3.02 -0.14 0.48 1.61 1.47 -1.26 -5.04 116.67 110.78 3gpw s ASP 11 Ca 0.12 0.10 0.33 0.00 1.18 0.00 0.00 52.55 54.28 3gpw s ASP 11 Cb 0.17 0.12 1.73 0.00 -0.34 0.00 0.00 42.92 44.60 3gpw s ASP 11 CO 0.47 -0.16 2.00 0.74 0.68 0.00 0.00 175.17 178.90 3gpw h THR 12 N 2.14 0.00 -0.08 2.11 2.02 -1.88 -2.82 112.91 114.40 3gpw h THR 12 Ca -0.10 -0.05 0.00 0.00 0.77 0.00 0.00 66.41 67.03 3gpw h THR 12 Cb 1.17 0.80 0.00 0.00 -1.74 0.00 0.00 68.15 68.39 3gpw h THR 12 CO 0.24 0.00 0.00 0.55 0.37 0.00 0.00 175.52 176.68 3gpw n VAL 13 N -2.67 0.11 -5.08 3.16 3.14 -1.26 -4.63 118.33 111.10 3gpw n VAL 13 Ca -0.02 -0.12 -0.32 0.00 -2.96 0.00 0.00 64.34 60.92 3gpw n VAL 13 Cb 0.08 0.02 -0.17 0.00 -1.06 0.00 0.00 33.84 32.71 3gpw n VAL 13 CO 0.00 0.00 0.00 -0.89 -6.46 0.00 0.00 176.83 169.48 3gpw s THR 14 N -1.89 2.21 0.14 1.55 2.01 -1.06 -5.06 115.64 113.53 3gpw s THR 14 Ca 0.13 -0.96 -0.17 0.00 0.31 0.00 0.00 61.69 61.00 3gpw s THR 14 Cb 0.06 -1.86 -0.07 0.00 0.01 0.00 0.00 72.50 70.64 3gpw s THR 14 CO 0.10 0.55 0.58 -0.36 -0.69 0.00 0.00 174.62 174.80 3gpw s PHE 15 N 0.41 3.67 0.77 4.92 0.08 -1.26 -4.68 117.98 121.90 3gpw s PHE 15 Ca -0.16 1.18 -0.09 0.00 0.12 0.00 0.00 56.93 57.98 3gpw s PHE 15 Cb -0.17 -2.45 0.09 0.00 -0.57 0.00 0.00 43.02 39.92 3gpw s PHE 15 CO 0.07 0.46 1.09 -1.54 -0.10 0.00 0.00 175.22 175.20 3gpw s SER 16 N -1.53 4.45 0.64 1.36 1.04 -0.37 -4.92 113.70 114.37 3gpw s SER 16 Ca 0.36 0.42 0.42 0.00 0.48 0.00 0.00 55.95 57.63 3gpw s SER 16 Cb -0.17 -0.92 2.21 0.00 0.10 0.00 0.00 66.02 67.25 3gpw s SER 16 CO 0.19 -1.86 2.30 -0.65 0.98 0.00 0.00 173.24 174.20 3gpw h PRO 17 N -0.85 0.00 -0.07 4.02 0.11 -1.98 -1.90 132.00 131.34 3gpw h PRO 17 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 3gpw h PRO 17 Cb 1.30 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.41 3gpw h PRO 17 CO 0.56 0.00 0.00 0.25 -0.21 0.00 0.00 178.00 178.60 3gpw n THR 18 N -3.10 0.06 -0.42 -1.15 -2.24 -1.26 -4.95 114.28 101.22 3gpw n THR 18 Ca -0.02 -0.48 0.00 0.00 -2.27 0.00 0.00 64.05 61.28 3gpw n THR 18 Cb 0.12 1.24 0.00 0.00 -2.10 0.00 0.00 70.33 69.59 3gpw n THR 18 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3gpw n GLY 19 N 1.33 0.82 3.97 3.38 0.00 -0.71 -5.09 105.19 108.88 3gpw n GLY 19 Ca 0.16 -0.41 -0.21 0.00 0.00 0.00 0.00 46.02 45.55 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 -0.89 3.44 -0.50 1.61 0.52 -1.26 -4.81 118.95 117.06 3gpw s ARG 20 Ca 0.00 -0.72 0.03 0.00 -0.52 0.00 0.00 55.73 54.52 3gpw s ARG 20 Cb 0.00 -2.87 0.14 0.00 0.52 0.00 0.00 34.95 32.74 3gpw s ARG 20 CO 0.00 0.41 0.27 -0.51 0.02 0.00 0.00 175.30 175.49 3gpw s LEU 21 N -4.01 3.68 0.23 2.53 1.43 -1.26 -1.24 118.68 120.04 3gpw s LEU 21 Ca 0.35 -2.94 -0.06 0.00 -1.03 0.00 0.00 54.13 50.44 3gpw s LEU 21 Cb -0.09 -1.39 0.35 0.00 0.03 0.00 0.00 46.19 45.09 3gpw s LEU 21 CO 0.30 -0.23 1.78 -0.26 0.23 0.00 0.00 176.35 178.17 3gpw h PHE 22 N 6.48 0.67 -0.98 0.29 0.04 -1.83 -1.32 116.94 120.28 3gpw h PHE 22 Ca -0.03 0.03 0.09 0.00 2.80 0.00 0.00 57.97 60.86 3gpw h PHE 22 Cb 0.89 -0.19 -0.07 0.00 2.20 0.00 0.00 35.95 38.78 3gpw h PHE 22 CO 0.51 0.24 0.62 1.96 -0.60 0.00 0.00 178.31 181.05 3gpw h GLN 23 N 0.63 1.03 -0.43 1.51 1.08 -1.86 0.79 115.11 117.86 3gpw h GLN 23 Ca 0.36 -0.06 -0.05 0.00 -1.45 0.00 0.00 58.65 57.45 3gpw h GLN 23 Cb 0.37 -0.23 -0.02 0.00 -0.05 0.00 0.00 27.48 27.55 3gpw h GLN 23 CO -0.27 0.68 0.09 0.28 -0.95 0.00 0.00 178.83 178.67 3gpw h VAL 24 N 1.06 1.24 -0.60 -0.54 2.07 -1.68 -1.28 116.25 116.52 3gpw h VAL 24 Ca 0.45 -0.84 -0.08 0.00 0.82 0.00 0.00 66.70 67.05 3gpw h VAL 24 Cb 0.32 0.95 -0.02 0.00 -1.52 0.00 0.00 31.29 31.01 3gpw h VAL 24 CO -0.22 0.29 0.05 -0.33 0.02 0.00 0.00 177.57 177.39 3gpw h GLU 25 N 0.57 1.00 -0.08 1.57 5.08 0.03 -1.26 114.58 121.49 3gpw h GLU 25 Ca 0.13 -0.28 -0.06 0.00 -1.00 0.00 0.00 59.36 58.16 3gpw h GLU 25 Cb 0.34 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.47 3gpw h GLU 25 CO 0.00 0.96 -0.22 1.88 -1.00 0.00 0.00 179.01 180.63 3gpw h TYR 26 N 0.93 0.15 -0.10 4.33 0.05 0.74 -1.78 116.97 121.28 3gpw h TYR 26 Ca 0.18 -0.02 -0.03 0.00 0.05 0.00 0.00 58.73 58.91 3gpw h TYR 26 Cb 0.47 -0.04 -0.00 0.00 1.01 0.00 0.00 36.73 38.17 3gpw h TYR 26 CO 0.03 0.35 -0.03 0.00 -1.05 0.00 0.00 178.16 177.46 3gpw h ALA 27 N 1.65 0.14 -0.44 3.88 0.00 -0.62 -2.44 119.26 121.43 3gpw h ALA 27 Ca 0.02 -0.23 0.13 0.00 0.00 0.00 0.00 54.91 54.83 3gpw h ALA 27 Cb 0.47 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 3gpw h ALA 27 CO 0.03 -0.11 0.37 -0.07 0.00 0.00 0.00 179.25 179.47 3gpw h LEU 28 N -0.13 0.00 -0.97 0.00 4.07 -0.65 0.17 115.31 117.80 3gpw h LEU 28 Ca 0.03 0.00 -0.09 0.00 0.08 0.00 0.00 57.88 57.89 3gpw h LEU 28 Cb 0.46 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.18 3gpw h LEU 28 CO 0.01 0.00 -0.24 -0.08 -1.08 0.00 0.00 178.44 177.05 3gpw h GLU 29 N 0.00 0.46 0.00 1.13 4.57 -0.84 -2.48 114.58 117.42 3gpw h GLU 29 Ca 0.21 -0.17 -0.01 0.00 -1.18 0.00 0.00 59.36 58.21 3gpw h GLU 29 Cb 0.95 -0.03 -0.00 0.00 -0.16 0.00 0.00 28.75 29.51 3gpw h GLU 29 CO -0.00 0.67 -0.06 0.00 -1.18 0.00 0.00 179.01 178.44 3gpw h ALA 30 N 1.33 1.87 0.15 2.92 0.00 -0.59 -2.51 119.26 122.43 3gpw h ALA 30 Ca 0.06 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 3gpw h ALA 30 Cb 0.65 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.43 3gpw h ALA 30 CO 0.05 0.07 -0.07 0.82 0.00 0.00 0.00 179.25 180.12 3gpw h ILE 31 N 0.00 1.01 -0.88 0.00 2.04 -1.46 -2.94 117.51 115.28 3gpw h ILE 31 Ca -0.00 -0.92 0.20 0.00 1.00 0.00 0.00 64.86 65.14 3gpw h ILE 31 Cb 0.10 1.55 -0.06 0.00 -0.74 0.00 0.00 36.82 37.67 3gpw h ILE 31 CO 0.01 0.21 0.59 0.11 0.00 0.00 0.00 178.15 179.06 3gpw h LYS 32 N -0.66 0.37 0.00 2.37 6.56 -1.39 1.02 116.57 124.85 3gpw h LYS 32 Ca -0.02 -0.02 0.00 0.00 -1.06 0.00 0.00 60.65 59.55 3gpw h LYS 32 Cb 0.49 -0.08 0.00 0.00 -0.57 0.00 0.00 32.23 32.07 3gpw h LYS 32 CO 0.03 0.24 0.00 0.94 -2.06 0.00 0.00 179.45 178.61 3gpw n GLN 33 N -4.49 0.29 -2.79 3.15 7.27 -0.99 -2.01 117.38 117.81 3gpw n GLN 33 Ca 0.18 0.05 -0.30 0.00 0.07 0.00 0.00 57.00 57.01 3gpw n GLN 33 Cb 0.69 -1.50 -0.03 0.00 2.41 0.00 0.00 30.24 31.81 3gpw n GLN 33 CO 0.00 0.00 0.00 0.20 0.07 0.00 0.00 177.06 177.33 3gpw s GLY 34 N -2.65 1.92 0.56 1.69 0.00 0.35 -4.82 107.32 104.37 3gpw s GLY 34 Ca 0.22 -0.19 -0.21 0.00 0.00 0.00 0.00 44.72 44.53 3gpw s GLY 34 CO 0.39 0.00 1.33 -0.45 0.00 0.00 0.00 173.10 174.38 3gpw s SER 35 N -3.24 5.22 0.56 1.64 0.15 -1.26 0.21 113.70 116.98 3gpw s SER 35 Ca 0.52 2.71 -0.19 0.00 0.70 0.00 0.00 55.95 59.68 3gpw s SER 35 Cb -0.10 -2.63 -0.05 0.00 -1.71 0.00 0.00 66.02 61.53 3gpw s SER 35 CO 0.33 -1.60 1.16 0.54 1.20 0.00 0.00 173.24 174.87 3gpw s VAL 36 N -1.34 2.96 -0.07 4.45 0.11 -1.26 -4.49 120.40 120.77 3gpw s VAL 36 Ca 0.73 0.60 -0.14 0.00 -2.93 0.00 0.00 61.98 60.23 3gpw s VAL 36 Cb -0.39 -3.24 0.03 0.00 -1.53 0.00 0.00 36.38 31.25 3gpw s VAL 36 CO 0.45 -0.13 0.34 0.28 -3.33 0.00 0.00 175.10 172.72 3gpw s THR 37 N -1.71 0.03 0.16 5.04 -1.32 -0.65 -1.54 115.64 115.65 3gpw s THR 37 Ca 0.74 -0.26 0.08 0.00 -1.21 0.00 0.00 61.69 61.05 3gpw s THR 37 Cb -0.26 -0.58 -0.04 0.00 -1.51 0.00 0.00 72.50 70.11 3gpw s THR 37 CO 0.29 -0.14 -0.17 -0.69 -2.21 0.00 0.00 174.62 171.70 3gpw s VAL 38 N -0.67 1.73 -0.07 5.08 1.01 0.31 -1.73 120.40 126.06 3gpw s VAL 38 Ca -0.08 -1.90 -0.06 0.00 0.00 0.00 0.00 61.98 59.94 3gpw s VAL 38 Cb -0.04 -1.81 0.02 0.00 0.00 0.00 0.00 36.38 34.55 3gpw s VAL 38 CO 0.03 -0.35 0.17 -0.83 0.00 0.00 0.00 175.10 174.12 3gpw s GLY 39 N -2.67 -0.12 0.01 4.51 0.00 0.38 -1.10 107.32 108.32 3gpw s GLY 39 Ca 0.15 0.52 -0.25 0.00 0.00 0.00 0.00 44.72 45.14 3gpw s GLY 39 CO 0.06 0.50 0.57 0.48 0.00 0.00 0.00 173.10 174.70 3gpw s LEU 40 N 0.22 -0.24 0.02 0.66 2.34 -0.95 0.10 118.68 120.84 3gpw s LEU 40 Ca -0.01 0.38 -0.03 0.00 0.06 0.00 0.00 54.13 54.52 3gpw s LEU 40 Cb -0.02 2.22 -0.01 0.00 -0.56 0.00 0.00 46.19 47.81 3gpw s LEU 40 CO -0.01 -0.66 0.04 0.00 -1.06 0.00 0.00 176.35 174.66 3gpw s ARG 41 N -1.88 0.45 0.00 1.48 1.70 0.09 -0.39 118.95 120.40 3gpw s ARG 41 Ca -0.08 -0.66 0.00 0.00 -0.47 0.00 0.00 55.73 54.52 3gpw s ARG 41 Cb -0.01 0.17 0.00 0.00 -0.57 0.00 0.00 34.95 34.54 3gpw s ARG 41 CO 0.03 -0.09 0.00 -1.13 -1.08 0.00 0.00 175.30 173.03 3gpw n SER 42 N 1.22 0.00 -0.13 -2.89 3.41 -0.15 -4.43 113.62 110.64 3gpw n SER 42 Ca -0.22 0.00 0.05 0.00 -0.26 0.00 0.00 58.87 58.45 3gpw n SER 42 Cb 0.57 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.49 3gpw n SER 42 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3gpw n ASN 43 N 0.00 0.91 -0.01 4.04 3.02 -1.25 -4.60 115.26 117.37 3gpw n ASN 43 Ca 0.00 -0.96 -0.01 0.00 -0.03 0.00 0.00 54.58 53.59 3gpw n ASN 43 Cb 0.00 0.71 -0.03 0.00 -0.61 0.00 0.00 39.78 39.85 3gpw n ASN 43 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 3gpw n THR 44 N -0.69 0.18 -4.25 3.41 -2.24 -1.26 -4.29 114.28 105.14 3gpw n THR 44 Ca 0.03 -0.14 -0.14 0.00 -2.27 0.00 0.00 64.05 61.53 3gpw n THR 44 Cb 0.20 -0.46 -0.10 0.00 -2.10 0.00 0.00 70.33 67.87 3gpw n THR 44 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 3gpw s HIS 45 N -2.16 1.27 -0.01 4.78 3.76 -1.26 -1.79 115.29 119.88 3gpw s HIS 45 Ca -0.02 -1.20 0.01 0.00 -0.15 0.00 0.00 55.06 53.70 3gpw s HIS 45 Cb 0.02 -0.71 0.00 0.00 1.11 0.00 0.00 32.58 33.00 3gpw s HIS 45 CO 0.17 -0.41 -0.02 0.00 -0.85 0.00 0.00 174.74 173.63 3gpw s ALA 46 N -3.87 0.23 0.06 -1.40 0.00 -0.39 -0.98 121.76 115.41 3gpw s ALA 46 Ca 0.33 -0.06 0.06 0.00 0.00 0.00 0.00 51.96 52.28 3gpw s ALA 46 Cb 0.07 -0.10 -0.03 0.00 0.00 0.00 0.00 23.12 23.07 3gpw s ALA 46 CO 0.09 0.03 -0.16 0.08 0.00 0.00 0.00 175.76 175.81 3gpw s VAL 47 N 0.12 1.24 -0.12 0.00 1.01 0.48 -2.03 120.40 121.10 3gpw s VAL 47 Ca -0.01 -1.21 0.01 0.00 0.00 0.00 0.00 61.98 60.77 3gpw s VAL 47 Cb -0.03 -1.15 0.02 0.00 0.00 0.00 0.00 36.38 35.22 3gpw s VAL 47 CO -0.00 -0.08 -0.14 -0.76 0.00 0.00 0.00 175.10 174.12 3gpw s LEU 48 N -1.48 1.63 -0.14 3.92 1.43 0.67 -2.24 118.68 122.47 3gpw s LEU 48 Ca 0.01 -0.42 0.02 0.00 -1.03 0.00 0.00 54.13 52.71 3gpw s LEU 48 Cb -0.09 -1.07 0.01 0.00 0.03 0.00 0.00 46.19 45.07 3gpw s LEU 48 CO 0.02 -0.02 -0.19 -0.69 0.23 0.00 0.00 176.35 175.69 3gpw s VAL 49 N 1.23 1.90 -0.02 -1.59 1.01 -0.26 -0.42 120.40 122.25 3gpw s VAL 49 Ca -0.02 -0.87 0.02 0.00 0.00 0.00 0.00 61.98 61.11 3gpw s VAL 49 Cb -0.14 -1.71 0.00 0.00 0.00 0.00 0.00 36.38 34.53 3gpw s VAL 49 CO -0.05 0.52 -0.07 0.00 0.00 0.00 0.00 175.10 175.49 3gpw s ALA 50 N 1.02 0.69 -0.38 5.51 0.00 0.46 0.11 121.76 129.16 3gpw s ALA 50 Ca -0.03 -0.27 -0.25 0.00 0.00 0.00 0.00 51.96 51.41 3gpw s ALA 50 Cb -0.15 -0.25 0.02 0.00 0.00 0.00 0.00 23.12 22.74 3gpw s ALA 50 CO -0.05 0.12 0.90 -1.17 0.00 0.00 0.00 175.76 175.56 3gpw s LEU 51 N 0.13 4.02 0.14 0.00 2.96 -0.59 -2.24 118.68 123.10 3gpw s LEU 51 Ca -0.02 0.47 -0.29 0.00 -0.22 0.00 0.00 54.13 54.07 3gpw s LEU 51 Cb -0.07 -3.21 -0.07 0.00 0.50 0.00 0.00 46.19 43.34 3gpw s LEU 51 CO 0.00 -0.87 0.91 -0.54 -1.32 0.00 0.00 176.35 174.53 3gpw s LYS 52 N 3.46 4.70 -0.09 1.98 1.02 -0.67 -4.57 119.74 125.57 3gpw s LYS 52 Ca 0.37 1.38 -0.03 0.00 0.02 0.00 0.00 55.97 57.71 3gpw s LYS 52 Cb -0.12 -3.34 -0.04 0.00 -0.52 0.00 0.00 37.83 33.82 3gpw s LYS 52 CO 0.20 0.34 0.04 0.50 -0.92 0.00 0.00 175.35 175.50 3gpw s ARG 53 N -0.42 3.11 0.12 1.68 3.52 -1.26 -4.87 118.95 120.82 3gpw s ARG 53 Ca 0.43 -0.33 0.07 0.00 -0.13 0.00 0.00 55.73 55.77 3gpw s ARG 53 Cb -0.24 -2.90 -0.04 0.00 -1.56 0.00 0.00 34.95 30.21 3gpw s ARG 53 CO 0.29 0.72 -0.08 0.54 -0.81 0.00 0.00 175.30 175.97 3gpw s ASN 54 N -0.95 4.49 -0.02 -2.12 4.22 -1.26 -1.95 114.94 117.35 3gpw s ASN 54 Ca 0.14 -0.38 -0.02 0.00 -2.14 0.00 0.00 52.86 50.46 3gpw s ASN 54 Cb -0.12 -0.88 -0.01 0.00 1.28 0.00 0.00 41.25 41.52 3gpw s ASN 54 CO 0.03 0.16 0.20 0.00 -2.04 0.00 0.00 177.10 175.45 3gpw h ALA 55 N 3.43 -0.19 -4.62 3.54 0.00 -1.86 -3.49 119.26 116.08 3gpw h ALA 55 Ca -0.48 -0.02 -0.26 0.00 0.00 0.00 0.00 54.91 54.16 3gpw h ALA 55 Cb 1.17 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.96 3gpw h ALA 55 CO 0.54 -0.18 -0.15 -0.25 0.00 0.00 0.00 179.25 179.20 3gpw n ASP 56 N -2.89 2.12 -0.76 0.00 9.92 -1.26 -4.99 116.55 118.70 3gpw n ASP 56 Ca -0.01 -1.85 0.11 0.00 -0.53 0.00 0.00 54.79 52.51 3gpw n ASP 56 Cb 0.03 0.06 0.31 0.00 -0.64 0.00 0.00 41.12 40.88 3gpw n ASP 56 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 3gpw n GLU 57 N -0.80 2.00 0.00 -1.24 4.71 -1.26 -2.99 120.64 121.06 3gpw n GLU 57 Ca -0.05 -1.50 0.06 0.00 -0.01 0.00 0.00 57.16 55.67 3gpw n GLU 57 Cb 0.26 -1.43 0.03 0.00 -1.01 0.00 0.00 31.44 29.29 3gpw n GLU 57 CO 0.00 0.00 0.00 1.28 0.09 0.00 0.00 177.13 178.50 3gpw n LEU 58 N 0.73 1.78 -4.88 -4.62 4.32 -1.26 -5.00 117.00 108.07 3gpw n LEU 58 Ca 0.17 -0.90 -0.21 0.00 -0.02 0.00 0.00 56.01 55.05 3gpw n LEU 58 Cb 0.43 0.00 -0.03 0.00 -1.62 0.00 0.00 43.42 42.20 3gpw n LEU 58 CO 0.14 0.34 -0.05 -0.94 -1.22 0.00 0.00 177.39 175.66 3gpw s SER 59 N -1.29 5.43 0.66 -1.43 1.04 -1.16 -5.12 113.70 111.84 3gpw s SER 59 Ca 0.13 -0.44 -0.06 0.00 0.48 0.00 0.00 55.95 56.06 3gpw s SER 59 Cb 0.10 -1.02 0.04 0.00 0.10 0.00 0.00 66.02 65.24 3gpw s SER 59 CO 0.22 -0.37 0.98 -0.94 0.98 0.00 0.00 173.24 174.11 3gpw s SER 60 N -4.03 5.10 -0.46 7.02 1.04 -1.26 -4.77 113.70 116.34 3gpw s SER 60 Ca 0.42 0.56 -0.16 0.00 0.48 0.00 0.00 55.95 57.25 3gpw s SER 60 Cb -0.06 -1.33 0.05 0.00 0.10 0.00 0.00 66.02 64.78 3gpw s SER 60 CO 0.27 -1.41 0.41 -0.31 0.98 0.00 0.00 173.24 173.19 3gpw s TYR 63 N -3.16 3.21 -0.08 5.02 1.51 -1.26 -4.09 117.35 118.49 3gpw s TYR 63 Ca 0.58 -0.73 -0.39 0.00 -1.01 0.00 0.00 57.07 55.52 3gpw s TYR 63 Cb -0.11 -3.07 -0.17 0.00 -0.11 0.00 0.00 41.96 38.50 3gpw s TYR 63 CO 0.45 -0.78 1.44 0.94 -1.11 0.00 0.00 175.55 176.50 3gpw n GLN 64 N 5.39 0.89 -1.75 -0.62 7.27 -0.82 -4.78 117.38 122.96 3gpw n GLN 64 Ca -0.11 0.32 -0.42 0.00 0.07 0.00 0.00 57.00 56.87 3gpw n GLN 64 Cb 0.45 -1.95 -0.01 0.00 2.41 0.00 0.00 30.24 31.14 3gpw n GLN 64 CO 0.00 0.00 0.00 0.36 0.07 0.00 0.00 177.06 177.49 3gpw n LYS 65 N 3.36 2.69 -0.00 3.69 2.85 -1.26 -4.38 118.16 125.11 3gpw n LYS 65 Ca 0.22 0.95 0.00 0.00 -1.05 0.00 0.00 58.31 58.44 3gpw n LYS 65 Cb 0.14 -2.73 0.00 0.00 -0.65 0.00 0.00 35.03 31.79 3gpw n LYS 65 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98 3gpw n LYS 66 N 1.91 -0.39 -5.23 -1.58 5.02 -1.26 -5.00 118.16 111.63 3gpw n LYS 66 Ca 0.08 -0.66 -0.32 0.00 -2.02 0.00 0.00 58.31 55.39 3gpw n LYS 66 Cb 0.37 -1.00 -0.17 0.00 -0.02 0.00 0.00 35.03 34.21 3gpw n LYS 66 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3gpw s ILE 67 N -0.16 2.04 -0.05 -0.18 1.01 -1.26 -1.14 121.20 121.46 3gpw s ILE 67 Ca 0.00 -1.04 0.03 0.00 0.00 0.00 0.00 60.65 59.65 3gpw s ILE 67 Cb 0.00 -1.74 0.00 0.00 0.01 0.00 0.00 42.46 40.73 3gpw s ILE 67 CO 0.00 0.56 -0.15 -0.63 0.00 0.00 0.00 174.94 174.72 3gpw s ILE 68 N 0.07 1.31 -0.13 2.92 1.01 -0.30 -5.00 121.20 121.09 3gpw s ILE 68 Ca -0.11 -0.62 -0.22 0.00 0.00 0.00 0.00 60.65 59.71 3gpw s ILE 68 Cb -0.16 -1.15 -0.03 0.00 0.01 0.00 0.00 42.46 41.13 3gpw s ILE 68 CO 0.06 0.39 0.65 -0.75 0.00 0.00 0.00 174.94 175.29 3gpw s LYS 69 N 0.31 4.33 -0.13 2.79 2.20 -1.26 -0.80 119.74 127.18 3gpw s LYS 69 Ca -0.09 0.74 0.18 0.00 -0.36 0.00 0.00 55.97 56.43 3gpw s LYS 69 Cb -0.13 -3.50 -0.25 0.00 -1.51 0.00 0.00 37.83 32.44 3gpw s LYS 69 CO 0.03 -0.06 0.28 0.00 -0.36 0.00 0.00 175.35 175.24 3gpw n ASP 71 N -2.73 -0.72 0.16 0.00 4.64 -0.90 -4.40 116.55 112.60 3gpw n ASP 71 Ca -0.25 -1.46 0.13 0.00 -1.38 0.00 0.00 54.79 51.84 3gpw n ASP 71 Cb 1.03 1.19 0.45 0.00 -1.04 0.00 0.00 41.12 42.76 3gpw n ASP 71 CO 0.00 0.00 0.00 -0.33 -0.82 0.00 0.00 177.20 176.05 3gpw h GLU 72 N 0.00 0.00 0.00 -0.67 4.39 -1.96 -3.19 114.58 113.15 3gpw h GLU 72 Ca -0.11 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.59 3gpw h GLU 72 Cb 0.42 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.07 3gpw h GLU 72 CO 0.14 0.00 0.00 -2.39 -1.16 0.00 0.00 179.01 175.60 3gpw n HIS 73 N -2.53 0.00 -3.81 4.33 1.44 -1.26 -0.91 115.22 112.48 3gpw n HIS 73 Ca 0.03 -0.41 -0.12 0.00 -2.01 0.00 0.00 57.72 55.21 3gpw n HIS 73 Cb 0.35 -0.04 -0.09 0.00 0.12 0.00 0.00 29.99 30.33 3gpw n HIS 73 CO 0.00 0.00 0.00 1.41 -2.81 0.00 0.00 176.34 174.94 3gpw s MET 74 N -0.83 0.66 0.03 -1.40 -2.45 -1.21 -2.03 119.30 112.07 3gpw s MET 74 Ca 0.00 -0.43 -0.29 0.00 -1.25 0.00 0.00 55.69 53.72 3gpw s MET 74 Cb 0.00 0.28 0.10 0.00 1.25 0.00 0.00 34.83 36.47 3gpw s MET 74 CO 0.00 -0.19 1.20 0.20 1.05 0.00 0.00 175.02 177.29 3gpw s GLY 75 N -1.70 -0.35 0.27 2.11 0.00 -0.79 -1.23 107.32 105.62 3gpw s GLY 75 Ca -0.10 0.51 -0.05 0.00 0.00 0.00 0.00 44.72 45.08 3gpw s GLY 75 CO -0.00 0.31 0.37 0.48 0.00 0.00 0.00 173.10 174.26 3gpw s LEU 76 N -3.01 0.84 0.04 0.66 2.34 0.02 -1.02 118.68 118.54 3gpw s LEU 76 Ca 0.14 -1.27 0.07 0.00 0.06 0.00 0.00 54.13 53.13 3gpw s LEU 76 Cb 0.03 1.22 -0.02 0.00 -0.56 0.00 0.00 46.19 46.86 3gpw s LEU 76 CO -0.02 -1.10 -0.19 -0.94 -1.06 0.00 0.00 176.35 173.04 3gpw s SER 77 N -3.14 2.28 0.14 1.48 1.04 0.01 -1.14 113.70 114.36 3gpw s SER 77 Ca 0.31 -0.49 0.10 0.00 0.48 0.00 0.00 55.95 56.34 3gpw s SER 77 Cb 0.02 -0.19 -0.04 0.00 0.10 0.00 0.00 66.02 65.91 3gpw s SER 77 CO 0.14 0.14 -0.20 -1.48 0.98 0.00 0.00 173.24 172.83 3gpw s LEU 78 N -1.08 2.60 -0.20 2.42 0.05 -0.29 -0.91 118.68 121.26 3gpw s LEU 78 Ca 0.06 -0.64 -0.04 0.00 0.05 0.00 0.00 54.13 53.56 3gpw s LEU 78 Cb -0.08 -1.43 0.09 0.00 -2.05 0.00 0.00 46.19 42.71 3gpw s LEU 78 CO 0.01 0.16 0.18 0.00 -0.55 0.00 0.00 176.35 176.15 3gpw s ALA 79 N -1.24 0.01 0.00 1.48 0.00 -0.28 -4.92 121.76 116.82 3gpw s ALA 79 Ca 0.18 -0.06 0.00 0.00 0.00 0.00 0.00 51.96 52.08 3gpw s ALA 79 Cb -0.10 -1.26 0.00 0.00 0.00 0.00 0.00 23.12 21.76 3gpw s ALA 79 CO 0.10 -1.26 0.00 0.41 0.00 0.00 0.00 175.76 175.01 3gpw n GLY 80 N 5.30 0.39 3.60 0.00 0.00 -1.26 -0.27 105.19 112.95 3gpw n GLY 80 Ca -0.06 -1.57 -0.43 0.00 0.00 0.00 0.00 46.02 43.96 3gpw n GLY 80 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3gpw s LEU 81 N 0.00 3.48 0.17 0.99 1.43 0.13 -4.89 118.68 119.99 3gpw s LEU 81 Ca 0.00 1.37 -0.16 0.00 -1.03 0.00 0.00 54.13 54.32 3gpw s LEU 81 Cb 0.00 -3.44 0.11 0.00 0.03 0.00 0.00 46.19 42.89 3gpw s LEU 81 CO 0.00 -1.82 1.70 0.00 0.23 0.00 0.00 176.35 176.47 3gpw h ALA 82 N 13.56 0.38 -0.89 4.21 0.00 -1.96 -2.21 119.26 132.35 3gpw h ALA 82 Ca -0.35 0.11 0.17 0.00 0.00 0.00 0.00 54.91 54.85 3gpw h ALA 82 Cb 1.18 0.18 -0.10 0.00 0.00 0.00 0.00 17.79 19.05 3gpw h ALA 82 CO 1.03 -0.38 0.46 -1.35 0.00 0.00 0.00 179.25 179.01 3gpw h PRO 83 N 0.12 0.58 0.00 0.00 0.11 -1.98 0.90 132.00 131.73 3gpw h PRO 83 Ca 0.20 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 66.24 3gpw h PRO 83 Cb 0.27 -0.13 -0.00 0.00 0.11 0.00 0.00 31.00 31.25 3gpw h PRO 83 CO -0.32 0.38 -0.15 -0.44 -0.21 0.00 0.00 178.00 177.27 3gpw h ASP 84 N 0.60 0.00 0.66 -2.05 3.45 -1.78 -1.86 116.42 115.43 3gpw h ASP 84 Ca 0.51 0.00 -0.23 0.00 0.43 0.00 0.00 57.03 57.74 3gpw h ASP 84 Cb 0.80 0.00 -0.01 0.00 -0.56 0.00 0.00 39.33 39.57 3gpw h ASP 84 CO -0.41 0.15 -1.04 0.00 -1.57 0.00 0.00 179.24 176.37 3gpw h ALA 85 N 1.85 0.31 -0.40 3.45 0.00 -0.72 -1.86 119.26 121.90 3gpw h ALA 85 Ca -0.00 -0.82 -0.02 0.00 0.00 0.00 0.00 54.91 54.07 3gpw h ALA 85 Cb 0.46 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 3gpw h ALA 85 CO 0.02 0.99 0.16 -0.09 0.00 0.00 0.00 179.25 180.33 3gpw h ARG 86 N 0.09 0.60 0.22 0.00 2.43 -0.64 0.41 114.38 117.49 3gpw h ARG 86 Ca -0.07 -0.11 -0.01 0.00 -0.81 0.00 0.00 59.98 58.98 3gpw h ARG 86 Cb 1.74 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 31.19 3gpw h ARG 86 CO 0.16 0.57 -0.10 0.28 -1.51 0.00 0.00 179.97 179.36 3gpw h VAL 87 N 0.50 0.84 -0.72 0.20 2.07 -1.35 0.46 116.25 118.25 3gpw h VAL 87 Ca 0.13 -0.29 -0.06 0.00 0.82 0.00 0.00 66.70 67.31 3gpw h VAL 87 Cb 0.19 1.01 -0.03 0.00 -1.52 0.00 0.00 31.29 30.94 3gpw h VAL 87 CO -0.01 0.07 0.22 -0.07 0.02 0.00 0.00 177.57 177.79 3gpw h LEU 88 N -0.43 1.04 -0.40 2.57 3.38 -1.22 -1.13 115.31 119.12 3gpw h LEU 88 Ca -0.03 -0.20 -0.17 0.00 0.09 0.00 0.00 57.88 57.57 3gpw h LEU 88 Cb 0.33 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.80 3gpw h LEU 88 CO 0.05 0.97 -0.54 0.77 0.09 0.00 0.00 178.44 179.78 3gpw h SER 89 N 1.07 0.82 -0.82 -0.43 4.64 -0.15 -0.96 113.55 117.72 3gpw h SER 89 Ca 0.23 -0.44 -0.00 0.00 -0.47 0.00 0.00 61.79 61.11 3gpw h SER 89 Cb 0.31 -0.24 -0.04 0.00 -0.31 0.00 0.00 62.40 62.12 3gpw h SER 89 CO -0.01 1.20 0.51 -1.13 -0.87 0.00 0.00 176.83 176.53 3gpw h ASN 90 N 0.57 0.98 -0.25 4.97 -0.73 -0.65 0.37 115.58 120.83 3gpw h ASN 90 Ca 0.01 -0.06 -0.07 0.00 1.87 0.00 0.00 56.30 58.06 3gpw h ASN 90 Cb 1.12 -0.25 -0.02 0.00 0.27 0.00 0.00 38.32 39.44 3gpw h ASN 90 CO 0.11 0.74 -0.05 0.22 -0.37 0.00 0.00 177.43 178.08 3gpw h TYR 91 N 1.12 0.65 -0.11 0.67 5.03 -0.97 -1.44 116.97 121.93 3gpw h TYR 91 Ca 0.30 -0.09 -0.13 0.00 2.58 0.00 0.00 58.73 61.39 3gpw h TYR 91 Cb -0.06 -0.18 -0.01 0.00 1.55 0.00 0.00 36.73 38.03 3gpw h TYR 91 CO -0.01 0.66 -0.50 1.25 -1.32 0.00 0.00 178.16 178.24 3gpw h LEU 92 N 0.57 0.32 -0.54 2.82 5.85 0.14 -1.41 115.31 123.06 3gpw h LEU 92 Ca 0.11 -0.16 -0.07 0.00 0.84 0.00 0.00 57.88 58.61 3gpw h LEU 92 Cb 0.44 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.36 3gpw h LEU 92 CO 0.02 0.77 0.08 0.03 -0.34 0.00 0.00 178.44 179.01 3gpw h ARG 93 N 0.24 0.91 -0.29 1.25 3.08 0.38 -1.66 114.38 118.28 3gpw h ARG 93 Ca 0.01 -0.25 -0.04 0.00 0.07 0.00 0.00 59.98 59.77 3gpw h ARG 93 Cb 0.97 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.90 3gpw h ARG 93 CO 0.08 0.88 0.02 1.96 -1.07 0.00 0.00 179.97 181.84 3gpw h GLN 94 N 0.79 0.50 -0.73 0.04 4.20 -1.08 -1.11 115.11 117.73 3gpw h GLN 94 Ca 0.16 -0.15 -0.00 0.00 0.06 0.00 0.00 58.65 58.72 3gpw h GLN 94 Cb 0.42 -0.05 -0.04 0.00 0.30 0.00 0.00 27.48 28.11 3gpw h GLN 94 CO 0.01 0.63 0.44 1.96 -0.67 0.00 0.00 178.83 181.20 3gpw h GLN 95 N 0.30 0.98 -0.37 1.46 1.08 -1.14 0.26 115.11 117.70 3gpw h GLN 95 Ca 0.09 -0.08 -0.13 0.00 -1.45 0.00 0.00 58.65 57.07 3gpw h GLN 95 Cb 0.39 -0.21 -0.01 0.00 -0.05 0.00 0.00 27.48 27.60 3gpw h GLN 95 CO 0.01 0.69 -0.27 0.00 -0.95 0.00 0.00 178.83 178.31 3gpw h ASN 97 N 0.62 0.88 0.18 0.00 -0.00 -0.59 -2.23 115.58 114.44 3gpw h ASN 97 Ca 0.07 -0.12 -0.01 0.00 -0.00 0.00 0.00 56.30 56.24 3gpw h ASN 97 Cb 0.84 -0.22 0.00 0.00 -0.00 0.00 0.00 38.32 38.94 3gpw h ASN 97 CO 0.07 0.75 -0.08 0.22 -0.00 0.00 0.00 177.43 178.38 3gpw h TYR 98 N 0.95 -0.22 -0.76 0.67 3.20 -0.36 -0.69 116.97 119.75 3gpw h TYR 98 Ca 0.24 -0.01 0.14 0.00 3.14 0.00 0.00 58.73 62.24 3gpw h TYR 98 Cb 0.08 0.07 -0.09 0.00 1.54 0.00 0.00 36.73 38.33 3gpw h TYR 98 CO 0.00 -0.09 0.32 1.03 -1.64 0.00 0.00 178.16 177.78 3gpw h SER 99 N -0.30 0.31 0.55 -2.11 0.87 -1.16 -0.67 113.55 111.05 3gpw h SER 99 Ca -0.02 0.11 -0.03 0.00 -1.23 0.00 0.00 61.79 60.61 3gpw h SER 99 Cb 0.23 0.08 0.01 0.00 -0.44 0.00 0.00 62.40 62.27 3gpw h SER 99 CO 0.04 0.12 -0.27 0.28 -0.53 0.00 0.00 176.83 176.47 3gpw h SER 100 N 0.47 -0.63 -0.21 6.23 0.02 -1.10 -1.39 113.55 116.94 3gpw h SER 100 Ca 0.42 -0.05 0.04 0.00 -0.84 0.00 0.00 61.79 61.36 3gpw h SER 100 Cb 0.63 0.16 -0.04 0.00 0.14 0.00 0.00 62.40 63.29 3gpw h SER 100 CO -0.40 -0.27 -0.04 -0.07 -1.14 0.00 0.00 176.83 174.92 3gpw h LEU 101 N -1.04 -0.17 0.06 5.07 3.38 -0.85 0.44 115.31 122.19 3gpw h LEU 101 Ca -0.08 0.06 -0.13 0.00 0.09 0.00 0.00 57.88 57.83 3gpw h LEU 101 Cb 0.64 0.12 0.01 0.00 0.09 0.00 0.00 40.66 41.52 3gpw h LEU 101 CO 0.12 -0.06 -0.53 0.58 0.09 0.00 0.00 178.44 178.65 3gpw h VAL 102 N 0.01 1.54 -0.02 1.22 2.07 -1.23 -3.38 116.25 116.46 3gpw h VAL 102 Ca 0.10 -2.27 0.00 0.00 0.82 0.00 0.00 66.70 65.35 3gpw h VAL 102 Cb 0.15 2.98 0.00 0.00 -1.52 0.00 0.00 31.29 32.90 3gpw h VAL 102 CO -0.20 0.64 -0.03 0.49 0.02 0.00 0.00 177.57 178.48 3gpw n PHE 103 N -4.29 0.00 -3.86 1.57 3.01 -0.56 -4.97 117.46 108.35 3gpw n PHE 103 Ca -0.12 0.00 -0.27 0.00 1.01 0.00 0.00 57.45 58.07 3gpw n PHE 103 Cb 0.67 0.00 0.02 0.00 -0.01 0.00 0.00 39.48 40.16 3gpw n PHE 103 CO 0.00 0.00 0.00 -1.71 1.01 0.00 0.00 176.76 176.06 3gpw n ASN 104 N 0.68 -3.12 -4.00 4.37 4.05 0.15 -4.96 115.26 112.44 3gpw n ASN 104 Ca 0.08 -0.83 -0.17 0.00 0.45 0.00 0.00 54.58 54.11 3gpw n ASN 104 Cb 0.35 -3.81 -0.15 0.00 1.23 0.00 0.00 39.78 37.40 3gpw n ASN 104 CO 0.00 0.00 0.00 -0.60 -3.05 0.00 0.00 177.26 173.61 3gpw s ARG 105 N -6.42 0.61 0.13 1.20 3.52 -1.09 -4.96 118.95 111.94 3gpw s ARG 105 Ca 0.39 -0.27 -0.27 0.00 -0.13 0.00 0.00 55.73 55.46 3gpw s ARG 105 Cb -0.20 -0.59 -0.07 0.00 -1.56 0.00 0.00 34.95 32.53 3gpw s ARG 105 CO 0.83 0.16 0.83 0.15 -0.81 0.00 0.00 175.30 176.46 3gpw s LYS 106 N -0.17 4.61 0.07 5.12 1.02 -1.26 -2.51 119.74 126.62 3gpw s LYS 106 Ca 0.03 1.23 -0.31 0.00 0.02 0.00 0.00 55.97 56.94 3gpw s LYS 106 Cb -0.03 -3.31 -0.08 0.00 -0.52 0.00 0.00 37.83 33.89 3gpw s LYS 106 CO -0.00 0.42 1.52 -1.17 -0.92 0.00 0.00 175.35 175.19 3gpw s LEU 107 N -0.64 4.35 0.25 3.17 2.96 -1.26 -4.96 118.68 122.56 3gpw s LEU 107 Ca 0.39 2.36 -0.30 0.00 -0.22 0.00 0.00 54.13 56.36 3gpw s LEU 107 Cb -0.23 -3.57 -0.10 0.00 0.50 0.00 0.00 46.19 42.79 3gpw s LEU 107 CO 0.27 -0.78 1.46 0.00 -1.32 0.00 0.00 176.35 175.97 3gpw s ALA 108 N 2.10 3.65 0.38 5.97 0.00 -1.26 -4.88 121.76 127.71 3gpw s ALA 108 Ca 0.69 1.36 0.08 0.00 0.00 0.00 0.00 51.96 54.08 3gpw s ALA 108 Cb -0.37 -3.57 0.81 0.00 0.00 0.00 0.00 23.12 19.99 3gpw s ALA 108 CO 0.30 -0.77 1.95 0.28 0.00 0.00 0.00 175.76 177.52 3gpw h VAL 109 N 3.54 0.97 -0.16 0.00 2.07 -1.93 0.11 116.25 120.85 3gpw h VAL 109 Ca -0.46 -0.23 -0.10 0.00 0.82 0.00 0.00 66.70 66.72 3gpw h VAL 109 Cb 1.22 0.24 -0.01 0.00 -1.52 0.00 0.00 31.29 31.21 3gpw h VAL 109 CO 0.78 0.12 -0.35 -0.08 0.02 0.00 0.00 177.57 178.06 3gpw h GLU 110 N 0.67 0.34 -0.16 1.57 4.81 -2.00 -2.13 114.58 117.69 3gpw h GLU 110 Ca 0.32 -0.15 -0.18 0.00 -0.13 0.00 0.00 59.36 59.22 3gpw h GLU 110 Cb 0.37 -0.01 -0.00 0.00 0.63 0.00 0.00 28.75 29.74 3gpw h GLU 110 CO -0.11 0.65 -0.64 -0.09 -0.73 0.00 0.00 179.01 178.10 3gpw h ARG 111 N 0.29 0.60 -0.66 1.92 9.65 -1.23 -2.63 114.38 122.32 3gpw h ARG 111 Ca 0.03 -0.42 -0.01 0.00 -1.10 0.00 0.00 59.98 58.48 3gpw h ARG 111 Cb 0.76 0.07 -0.03 0.00 -1.39 0.00 0.00 29.97 29.38 3gpw h ARG 111 CO 0.06 1.04 0.36 0.00 2.80 0.00 0.00 179.97 184.23 3gpw h ALA 112 N 0.86 0.85 -0.51 2.80 0.00 -0.82 -1.76 119.26 120.67 3gpw h ALA 112 Ca -0.01 -0.11 0.04 0.00 0.00 0.00 0.00 54.91 54.83 3gpw h ALA 112 Cb 1.21 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 18.69 3gpw h ALA 112 CO 0.12 0.36 0.27 0.78 0.00 0.00 0.00 179.25 180.78 3gpw h GLY 113 N 0.90 0.72 1.38 0.00 0.00 -1.23 -0.74 103.07 104.10 3gpw h GLY 113 Ca 0.23 -0.19 -0.03 0.00 0.00 0.00 0.00 47.33 47.35 3gpw h GLY 113 CO -0.04 0.13 0.23 0.45 0.00 0.00 0.00 176.54 177.31 3gpw h HIS 114 N 0.52 0.80 -0.28 5.60 -0.00 -1.07 -1.23 115.15 119.49 3gpw h HIS 114 Ca 0.22 -0.04 -0.14 0.00 -0.00 0.00 0.00 60.37 60.41 3gpw h HIS 114 Cb 0.12 -0.25 -0.01 0.00 -0.00 0.00 0.00 27.41 27.27 3gpw h HIS 114 CO -0.10 0.62 -0.41 -0.07 -0.00 0.00 0.00 177.93 177.98 3gpw h LEU 115 N 0.79 0.73 -0.34 2.43 3.38 -0.52 -1.77 115.31 120.02 3gpw h LEU 115 Ca 0.19 -0.33 -0.13 0.00 0.09 0.00 0.00 57.88 57.70 3gpw h LEU 115 Cb 0.15 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 3gpw h LEU 115 CO -0.02 1.05 -0.29 -0.07 0.09 0.00 0.00 178.44 179.19 3gpw h LEU 116 N 0.56 0.85 -0.06 1.67 3.38 -0.83 -2.19 115.31 118.70 3gpw h LEU 116 Ca 0.05 -0.45 0.01 0.00 0.09 0.00 0.00 57.88 57.58 3gpw h LEU 116 Cb 0.94 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.44 3gpw h LEU 116 CO 0.09 1.13 -0.03 0.00 0.09 0.00 0.00 178.44 179.71 3gpw h ASP 118 N -0.03 0.00 0.24 0.00 3.32 -1.29 -0.30 116.42 118.36 3gpw h ASP 118 Ca 0.03 0.00 -0.24 0.00 0.02 0.00 0.00 57.03 56.84 3gpw h ASP 118 Cb 0.08 0.00 0.01 0.00 0.22 0.00 0.00 39.33 39.64 3gpw h ASP 118 CO -0.07 0.19 -0.98 0.50 -1.72 0.00 0.00 179.24 177.16 3gpw h LYS 119 N 0.00 0.50 -0.23 3.56 3.64 -0.99 -3.16 116.57 119.89 3gpw h LYS 119 Ca -0.00 -0.54 -0.15 0.00 -1.27 0.00 0.00 60.65 58.69 3gpw h LYS 119 Cb 0.34 0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 32.31 3gpw h LYS 119 CO 0.02 1.18 -0.47 0.00 -2.27 0.00 0.00 179.45 177.92 3gpw h ALA 120 N 0.63 0.76 -0.91 5.00 0.00 -0.81 -3.21 119.26 120.73 3gpw h ALA 120 Ca -0.10 -0.47 -0.01 0.00 0.00 0.00 0.00 54.91 54.33 3gpw h ALA 120 Cb 1.62 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 19.27 3gpw h ALA 120 CO 0.18 0.67 0.54 0.37 0.00 0.00 0.00 179.25 181.00 3gpw h GLN 121 N 0.48 1.24 -0.37 0.00 -0.00 -1.07 -2.53 115.11 112.85 3gpw h GLN 121 Ca 0.03 -0.12 0.06 0.00 -0.00 0.00 0.00 58.65 58.62 3gpw h GLN 121 Cb 0.99 -0.26 -0.02 0.00 0.00 0.00 0.00 27.48 28.20 3gpw h GLN 121 CO 0.09 0.87 0.25 0.87 0.00 0.00 0.00 178.83 180.92 3gpw h LYS 122 N 1.26 0.22 -0.36 1.69 1.57 -1.54 -0.74 116.57 118.66 3gpw h LYS 122 Ca 0.32 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 59.09 3gpw h LYS 122 Cb -0.04 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.22 3gpw h LYS 122 CO -0.06 0.15 0.00 0.09 -0.57 0.00 0.00 179.45 179.06 3gpw n ASN 123 N -4.47 0.98 0.00 0.86 3.02 -0.95 -3.49 115.26 111.21 3gpw n ASN 123 Ca 0.05 -2.04 0.00 0.00 -0.03 0.00 0.00 54.58 52.55 3gpw n ASN 123 Cb 0.28 -0.21 0.00 0.00 -0.61 0.00 0.00 39.78 39.24 3gpw n ASN 123 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 3gpw n THR 124 N -0.07 0.40 -0.09 3.41 -2.24 -0.29 -3.35 114.28 112.05 3gpw n THR 124 Ca 0.04 -0.51 0.00 0.00 -2.27 0.00 0.00 64.05 61.32 3gpw n THR 124 Cb 0.19 0.94 0.00 0.00 -2.10 0.00 0.00 70.33 69.36 3gpw n THR 124 CO 0.00 0.00 0.00 1.67 -0.57 0.00 0.00 175.07 176.17 3gpw n GLN 125 N -0.20 3.06 -4.60 -0.78 7.27 -1.23 -4.66 117.38 116.24 3gpw n GLN 125 Ca 0.00 -0.07 -0.30 0.00 0.07 0.00 0.00 57.00 56.70 3gpw n GLN 125 Cb 0.26 -0.42 -0.13 0.00 2.41 0.00 0.00 30.24 32.36 3gpw n GLN 125 CO 0.00 0.00 0.00 -1.12 0.07 0.00 0.00 177.06 176.01 3gpw s SER 126 N -0.46 3.66 0.43 1.69 0.01 -1.25 -4.84 113.70 112.94 3gpw s SER 126 Ca 0.00 -0.51 -0.24 0.00 1.31 0.00 0.00 55.95 56.50 3gpw s SER 126 Cb 0.00 -0.50 -0.08 0.00 0.21 0.00 0.00 66.02 65.65 3gpw s SER 126 CO 0.00 0.23 1.19 -0.47 0.41 0.00 0.00 173.24 174.60 3gpw s TYR 127 N -0.96 2.92 0.00 2.43 5.04 -1.26 -3.73 117.35 121.79 3gpw s TYR 127 Ca 0.15 1.52 0.00 0.00 -2.44 0.00 0.00 57.07 56.30 3gpw s TYR 127 Cb -0.10 -3.44 0.00 0.00 0.35 0.00 0.00 41.96 38.77 3gpw s TYR 127 CO 0.06 -1.56 0.00 0.41 -1.34 0.00 0.00 175.55 173.12 3gpw n GLY 128 N 0.56 3.03 1.39 8.97 0.00 -1.26 -5.03 105.19 112.84 3gpw n GLY 128 Ca 0.06 -0.83 -0.10 0.00 0.00 0.00 0.00 46.02 45.14 3gpw n GLY 128 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gpw n GLY 129 N 0.00 -1.17 3.11 -0.02 0.00 -1.24 -5.11 105.19 100.75 3gpw n GLY 129 Ca 0.00 -1.70 -0.10 0.00 0.00 0.00 0.00 46.02 44.22 3gpw n GLY 129 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3gpw s ARG 130 N -4.01 0.53 0.78 1.61 1.70 -1.26 -4.75 118.95 113.54 3gpw s ARG 130 Ca 0.27 -0.56 -0.11 0.00 -0.47 0.00 0.00 55.73 54.86 3gpw s ARG 130 Cb -0.01 0.21 0.06 0.00 -0.57 0.00 0.00 34.95 34.65 3gpw s ARG 130 CO 0.19 -0.13 1.09 -2.14 -1.08 0.00 0.00 175.30 173.23 3gpw s PRO 131 N -1.93 2.19 0.35 3.89 0.02 -1.21 -4.84 135.00 133.46 3gpw s PRO 131 Ca -0.11 1.09 -0.26 0.00 0.02 0.00 0.00 61.00 61.74 3gpw s PRO 131 Cb -0.05 -1.90 -0.09 0.00 0.02 0.00 0.00 34.50 32.48 3gpw s PRO 131 CO -0.01 -1.67 1.09 0.71 -0.33 0.00 0.00 177.00 176.80 3gpw s TYR 132 N -2.93 3.34 -0.77 6.54 1.51 -1.26 -4.95 117.35 118.84 3gpw s TYR 132 Ca 0.61 1.65 0.02 0.00 -1.01 0.00 0.00 57.07 58.33 3gpw s TYR 132 Cb -0.17 -3.25 0.35 0.00 -0.11 0.00 0.00 41.96 38.78 3gpw s TYR 132 CO 0.56 -0.75 1.46 0.41 -1.11 0.00 0.00 175.55 176.12 3gpw n GLY 133 N 0.73 5.85 3.48 0.71 0.00 -1.26 -4.64 105.19 110.07 3gpw n GLY 133 Ca 0.02 -2.66 -0.16 0.00 0.00 0.00 0.00 46.02 43.22 3gpw n GLY 133 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3gpw s VAL 134 N -4.67 0.01 0.08 1.61 0.11 -1.26 0.19 120.40 116.47 3gpw s VAL 134 Ca 0.46 -0.08 0.04 0.00 -2.93 0.00 0.00 61.98 59.47 3gpw s VAL 134 Cb 0.29 -0.90 -0.04 0.00 -1.53 0.00 0.00 36.38 34.20 3gpw s VAL 134 CO -0.19 -0.04 0.02 -0.83 -3.33 0.00 0.00 175.10 170.73 3gpw s GLY 135 N -0.80 1.95 0.01 6.54 0.00 0.63 -4.00 107.32 111.65 3gpw s GLY 135 Ca -0.08 -1.07 0.02 0.00 0.00 0.00 0.00 44.72 43.58 3gpw s GLY 135 CO 0.07 -1.05 -0.06 1.08 0.00 0.00 0.00 173.10 173.14 3gpw s LEU 136 N -2.28 2.08 -0.25 0.66 1.43 -0.68 -1.12 118.68 118.52 3gpw s LEU 136 Ca 0.26 -0.22 0.01 0.00 -1.03 0.00 0.00 54.13 53.15 3gpw s LEU 136 Cb -0.12 -0.24 0.04 0.00 0.03 0.00 0.00 46.19 45.91 3gpw s LEU 136 CO 0.19 -0.01 -0.10 -0.76 0.23 0.00 0.00 176.35 175.89 3gpw s LEU 137 N -0.54 3.19 -0.18 1.79 1.43 -0.09 0.96 118.68 125.24 3gpw s LEU 137 Ca -0.01 -1.11 -0.07 0.00 -1.03 0.00 0.00 54.13 51.90 3gpw s LEU 137 Cb -0.04 -1.59 -0.04 0.00 0.03 0.00 0.00 46.19 44.55 3gpw s LEU 137 CO -0.00 -0.15 0.07 -0.63 0.23 0.00 0.00 176.35 175.87 3gpw s ILE 138 N 1.21 4.86 0.07 -0.59 1.09 0.65 -0.81 121.20 127.68 3gpw s ILE 138 Ca -0.04 -0.01 0.07 0.00 -1.10 0.00 0.00 60.65 59.58 3gpw s ILE 138 Cb -0.18 -3.18 -0.03 0.00 -1.06 0.00 0.00 42.46 38.01 3gpw s ILE 138 CO -0.06 0.47 -0.20 0.27 -0.10 0.00 0.00 174.94 175.33 3gpw s ILE 139 N 0.23 1.61 -0.21 2.92 -4.36 -0.19 0.91 121.20 122.11 3gpw s ILE 139 Ca 0.05 -1.35 -0.32 0.00 -0.26 0.00 0.00 60.65 58.76 3gpw s ILE 139 Cb -0.12 -1.44 0.15 0.00 1.25 0.00 0.00 42.46 42.30 3gpw s ILE 139 CO 0.00 0.04 1.22 -0.83 0.24 0.00 0.00 174.94 175.61 3gpw s GLY 140 N -1.55 -0.17 -0.24 6.27 0.00 -0.66 -1.89 107.32 109.08 3gpw s GLY 140 Ca 0.06 2.05 -0.04 0.00 0.00 0.00 0.00 44.72 46.80 3gpw s GLY 140 CO 0.03 0.80 -0.03 -0.47 0.00 0.00 0.00 173.10 173.43 3gpw s TYR 141 N -1.76 3.03 0.00 1.90 5.04 -0.86 -0.81 117.35 123.89 3gpw s TYR 141 Ca 0.07 -1.14 0.00 0.00 -2.44 0.00 0.00 57.07 53.56 3gpw s TYR 141 Cb -0.01 -2.12 0.00 0.00 0.35 0.00 0.00 41.96 40.18 3gpw s TYR 141 CO -0.05 -0.61 0.00 -0.40 -1.34 0.00 0.00 175.55 173.15 3gpw n ASP 142 N 4.77 1.10 0.00 4.32 3.85 -0.51 -4.84 116.55 125.24 3gpw n ASP 142 Ca -0.17 0.00 0.06 0.00 -0.71 0.00 0.00 54.79 53.97 3gpw n ASP 142 Cb 0.49 0.00 0.34 0.00 -1.35 0.00 0.00 41.12 40.60 3gpw n ASP 142 CO 0.00 0.00 0.00 0.29 -1.01 0.00 0.00 177.20 176.48 3gpw n LYS 143 N 0.00 0.31 -0.22 0.11 5.02 -1.26 -2.19 118.16 119.93 3gpw n LYS 143 Ca 0.00 0.06 0.07 0.00 -2.02 0.00 0.00 58.31 56.42 3gpw n LYS 143 Cb 0.00 -1.50 0.10 0.00 -0.02 0.00 0.00 35.03 33.61 3gpw n LYS 143 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 3gpw n SER 144 N -1.10 1.62 0.00 4.39 3.41 -1.26 -5.12 113.62 115.57 3gpw n SER 144 Ca 0.08 -2.77 0.00 0.00 -0.26 0.00 0.00 58.87 55.92 3gpw n SER 144 Cb 0.06 -0.36 0.00 0.00 -0.26 0.00 0.00 64.21 63.65 3gpw n SER 144 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3gpw n GLY 145 N -0.99 -1.25 3.81 5.00 0.00 -0.93 -4.98 105.19 105.86 3gpw n GLY 145 Ca 0.11 -1.95 -0.35 0.00 0.00 0.00 0.00 46.02 43.83 3gpw n GLY 145 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gpw s ALA 146 N -2.00 3.23 0.01 4.61 0.00 -1.26 -1.42 121.76 124.93 3gpw s ALA 146 Ca 0.00 0.35 -0.07 0.00 0.00 0.00 0.00 51.96 52.24 3gpw s ALA 146 Cb 0.00 -3.04 -0.00 0.00 0.00 0.00 0.00 23.12 20.08 3gpw s ALA 146 CO 0.00 0.22 0.14 -1.01 0.00 0.00 0.00 175.76 175.11 3gpw s HIS 147 N -1.78 0.07 -0.02 0.00 3.76 0.01 -4.98 115.29 112.35 3gpw s HIS 147 Ca 0.52 -0.22 0.00 0.00 -0.15 0.00 0.00 55.06 55.21 3gpw s HIS 147 Cb -0.15 -0.06 0.03 0.00 1.11 0.00 0.00 32.58 33.51 3gpw s HIS 147 CO 0.20 -0.32 0.02 -1.17 -0.85 0.00 0.00 174.74 172.61 3gpw s LEU 148 N -1.62 1.19 0.06 0.89 2.96 -1.25 -1.65 118.68 119.25 3gpw s LEU 148 Ca -0.12 0.02 0.06 0.00 -0.22 0.00 0.00 54.13 53.87 3gpw s LEU 148 Cb -0.05 -0.10 -0.03 0.00 0.50 0.00 0.00 46.19 46.51 3gpw s LEU 148 CO -0.00 -0.11 -0.17 -0.76 -1.32 0.00 0.00 176.35 173.99 3gpw s LEU 149 N 0.95 2.23 -0.16 -0.68 1.02 0.26 -1.56 118.68 120.74 3gpw s LEU 149 Ca -0.08 -0.56 0.01 0.00 0.02 0.00 0.00 54.13 53.52 3gpw s LEU 149 Cb -0.12 -0.69 0.01 0.00 0.02 0.00 0.00 46.19 45.40 3gpw s LEU 149 CO -0.02 0.03 -0.19 -0.70 0.02 0.00 0.00 176.35 175.49 3gpw s GLU 150 N -1.46 3.09 -0.19 1.70 2.12 0.60 -0.26 118.70 124.30 3gpw s GLU 150 Ca 0.02 -0.81 -0.04 0.00 0.36 0.00 0.00 54.97 54.50 3gpw s GLU 150 Cb -0.09 -2.55 -0.02 0.00 0.26 0.00 0.00 34.13 31.72 3gpw s GLU 150 CO 0.02 -0.06 -0.02 0.12 -0.54 0.00 0.00 175.26 174.78 3gpw s PHE 151 N 0.96 3.01 -0.06 5.30 5.36 0.27 -1.05 117.98 131.78 3gpw s PHE 151 Ca -0.03 -0.51 0.03 0.00 -0.96 0.00 0.00 56.93 55.46 3gpw s PHE 151 Cb -0.15 -2.06 -0.02 0.00 -0.34 0.00 0.00 43.02 40.45 3gpw s PHE 151 CO -0.04 -0.25 -0.14 -0.65 -1.46 0.00 0.00 175.22 172.68 3gpw s GLN 152 N 0.95 2.62 0.66 10.12 -1.52 0.22 -1.69 119.66 131.02 3gpw s GLN 152 Ca 0.01 -0.69 0.19 0.00 -1.95 0.00 0.00 55.36 52.92 3gpw s GLN 152 Cb -0.14 -2.41 1.04 0.00 -0.22 0.00 0.00 33.01 31.27 3gpw s GLN 152 CO 0.01 0.57 1.58 -1.35 -0.25 0.00 0.00 175.29 175.85 3gpw h PRO 153 N 5.53 0.00 0.00 2.91 0.11 -1.82 1.15 132.00 139.88 3gpw h PRO 153 Ca -0.44 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.65 3gpw h PRO 153 Cb 1.16 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.27 3gpw h PRO 153 CO 0.51 0.00 -0.10 0.66 -0.21 0.00 0.00 178.00 178.85 3gpw h SER 154 N 0.00 0.00 0.00 -2.05 4.64 -1.89 -3.41 113.55 110.84 3gpw h SER 154 Ca 0.02 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 3gpw h SER 154 Cb 1.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.31 3gpw h SER 154 CO -0.00 0.10 0.00 0.61 -0.87 0.00 0.00 176.83 176.67 3gpw n GLY 155 N -0.51 0.80 3.66 -0.77 0.00 0.40 -4.64 105.19 104.13 3gpw n GLY 155 Ca -0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.59 3gpw n GLY 155 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3gpw s ASN 156 N -1.57 6.91 -0.09 1.61 0.01 -1.09 -4.46 114.94 116.26 3gpw s ASN 156 Ca 0.00 1.12 0.03 0.00 -0.71 0.00 0.00 52.86 53.31 3gpw s ASN 156 Cb 0.00 -2.45 0.01 0.00 0.41 0.00 0.00 41.25 39.22 3gpw s ASN 156 CO 0.00 -0.45 -0.19 -0.69 -1.51 0.00 0.00 177.10 174.26 3gpw s VAL 157 N 2.43 1.72 0.03 1.60 1.01 -1.26 -0.61 120.40 125.32 3gpw s VAL 157 Ca 0.37 -0.82 0.05 0.00 0.00 0.00 0.00 61.98 61.59 3gpw s VAL 157 Cb -0.16 -1.51 -0.02 0.00 0.00 0.00 0.00 36.38 34.69 3gpw s VAL 157 CO 0.10 0.48 -0.15 -0.89 0.00 0.00 0.00 175.10 174.65 3gpw s THR 158 N 0.53 1.19 -0.11 3.92 2.01 -0.22 -4.93 115.64 118.03 3gpw s THR 158 Ca -0.16 -0.92 -0.14 0.00 0.31 0.00 0.00 61.69 60.78 3gpw s THR 158 Cb -0.17 -1.05 -0.05 0.00 0.01 0.00 0.00 72.50 71.25 3gpw s THR 158 CO 0.06 0.11 0.34 -0.70 -0.69 0.00 0.00 174.62 173.74 3gpw s GLU 159 N -0.94 4.11 0.30 4.92 2.12 -1.26 -0.29 118.70 127.65 3gpw s GLU 159 Ca 0.03 0.21 0.05 0.00 0.36 0.00 0.00 54.97 55.63 3gpw s GLU 159 Cb -0.07 -3.35 -0.03 0.00 0.26 0.00 0.00 34.13 30.93 3gpw s GLU 159 CO 0.01 0.39 0.24 -0.51 -0.54 0.00 0.00 175.26 174.85 3gpw s LEU 160 N -0.04 1.59 -0.03 2.70 1.43 -0.60 -5.00 118.68 118.74 3gpw s LEU 160 Ca 0.20 -1.66 0.15 0.00 -1.03 0.00 0.00 54.13 51.79 3gpw s LEU 160 Cb -0.14 0.50 -0.20 0.00 0.03 0.00 0.00 46.19 46.37 3gpw s LEU 160 CO 0.07 -1.00 0.65 -1.22 0.23 0.00 0.00 176.35 175.09 3gpw n TYR 161 N -0.53 0.88 -3.61 0.29 4.01 -1.26 -4.09 117.16 112.85 3gpw n TYR 161 Ca 0.06 0.31 -0.04 0.00 -0.16 0.00 0.00 57.90 58.07 3gpw n TYR 161 Cb 0.63 -1.13 -0.01 0.00 -0.31 0.00 0.00 39.34 38.52 3gpw n TYR 161 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 3gpw s GLY 162 N -5.03 -0.35 0.00 2.72 0.00 -1.26 -0.73 107.32 102.67 3gpw s GLY 162 Ca -0.05 0.93 0.00 0.00 0.00 0.00 0.00 44.72 45.61 3gpw s GLY 162 CO 0.82 0.27 0.00 -0.37 0.00 0.00 0.00 173.10 173.83 3gpw n THR 163 N -0.31 0.00 -3.69 0.90 5.66 0.12 -4.96 114.28 112.00 3gpw n THR 163 Ca -0.05 0.00 -0.14 0.00 -3.05 0.00 0.00 64.05 60.80 3gpw n THR 163 Cb 0.61 0.00 -0.08 0.00 -1.55 0.00 0.00 70.33 69.31 3gpw n THR 163 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3gpw s ALA 164 N -2.00 -1.05 0.04 1.79 0.00 -1.26 -0.47 121.76 118.82 3gpw s ALA 164 Ca 0.00 0.56 0.00 0.00 0.00 0.00 0.00 51.96 52.53 3gpw s ALA 164 Cb 0.00 0.09 -0.03 0.00 0.00 0.00 0.00 23.12 23.18 3gpw s ALA 164 CO 0.00 -0.31 -0.05 0.96 0.00 0.00 0.00 175.76 176.36 3gpw s ILE 165 N -1.43 0.31 0.00 0.00 -4.36 -0.70 -4.85 121.20 110.17 3gpw s ILE 165 Ca -0.12 -1.33 0.00 0.00 -0.26 0.00 0.00 60.65 58.94 3gpw s ILE 165 Cb -0.03 -0.86 0.00 0.00 1.25 0.00 0.00 42.46 42.81 3gpw s ILE 165 CO 0.05 -0.66 0.00 0.61 0.24 0.00 0.00 174.94 175.18 3gpw n GLY 166 N 0.95 -0.42 3.71 6.27 0.00 -1.26 -1.64 105.19 112.80 3gpw n GLY 166 Ca -0.19 -2.22 -0.42 0.00 0.00 0.00 0.00 46.02 43.18 3gpw n GLY 166 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gpw s ALA 167 N -2.00 3.68 -0.90 4.61 0.00 0.13 -2.35 121.76 124.93 3gpw s ALA 167 Ca 0.00 1.21 0.00 0.00 0.00 0.00 0.00 51.96 53.17 3gpw s ALA 167 Cb 0.00 -3.61 0.00 0.00 0.00 0.00 0.00 23.12 19.51 3gpw s ALA 167 CO 0.00 -0.82 0.00 0.54 0.00 0.00 0.00 175.76 175.48 3gpw n ARG 168 N 4.49 -1.25 -0.07 0.00 1.74 -1.26 -4.21 116.66 116.10 3gpw n ARG 168 Ca 0.14 0.74 0.19 0.00 -0.77 0.00 0.00 57.85 58.15 3gpw n ARG 168 Cb 0.41 -4.87 0.63 0.00 -1.02 0.00 0.00 32.46 27.60 3gpw n ARG 168 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 3gpw h SER 169 N 0.00 0.13 -0.53 0.55 4.64 -1.77 -1.83 113.55 114.73 3gpw h SER 169 Ca -0.17 0.01 0.15 0.00 -0.47 0.00 0.00 61.79 61.31 3gpw h SER 169 Cb 0.89 -0.02 -0.02 0.00 -0.31 0.00 0.00 62.40 62.94 3gpw h SER 169 CO 0.26 0.07 0.44 -0.61 -0.87 0.00 0.00 176.83 176.11 3gpw h GLN 170 N 0.14 0.00 0.63 4.77 5.75 -1.89 -1.87 115.11 122.65 3gpw h GLN 170 Ca 0.30 0.00 -0.03 0.00 -0.15 0.00 0.00 58.65 58.77 3gpw h GLN 170 Cb 1.01 0.00 0.01 0.00 1.07 0.00 0.00 27.48 29.57 3gpw h GLN 170 CO -0.04 0.00 -0.30 0.78 -2.65 0.00 0.00 178.83 176.62 3gpw h GLY 171 N 0.00 -0.88 0.56 2.39 0.00 -1.51 -2.36 103.07 101.27 3gpw h GLY 171 Ca 0.25 0.33 0.11 0.00 0.00 0.00 0.00 47.33 48.02 3gpw h GLY 171 CO -0.00 -0.32 0.63 0.00 0.00 0.00 0.00 176.54 176.85 3gpw h ALA 172 N -1.58 1.51 -0.95 3.60 0.00 -1.50 -2.19 119.26 118.15 3gpw h ALA 172 Ca -0.09 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 3gpw h ALA 172 Cb 0.65 -0.23 -0.05 0.00 0.00 0.00 0.00 17.79 18.16 3gpw h ALA 172 CO 0.14 0.27 0.56 -0.22 0.00 0.00 0.00 179.25 180.01 3gpw h LYS 173 N 1.02 1.29 -0.30 0.00 3.64 -1.30 0.08 116.57 121.00 3gpw h LYS 173 Ca 0.47 -0.12 -0.18 0.00 -1.27 0.00 0.00 60.65 59.56 3gpw h LYS 173 Cb 0.41 -0.27 -0.00 0.00 -0.41 0.00 0.00 32.23 31.96 3gpw h LYS 173 CO -0.23 0.91 -0.50 1.15 -2.27 0.00 0.00 179.45 178.51 3gpw h THR 174 N 1.31 1.28 -0.32 1.00 2.02 -0.90 -1.19 112.91 116.11 3gpw h THR 174 Ca 0.34 -1.68 0.04 0.00 0.77 0.00 0.00 66.41 65.88 3gpw h THR 174 Cb -0.05 1.61 -0.04 0.00 -1.74 0.00 0.00 68.15 67.93 3gpw h THR 174 CO -0.06 0.55 0.08 0.22 0.37 0.00 0.00 175.52 176.68 3gpw h TYR 175 N 0.64 0.14 -0.46 3.16 3.20 -0.92 -1.87 116.97 120.87 3gpw h TYR 175 Ca 0.02 0.02 -0.07 0.00 3.14 0.00 0.00 58.73 61.84 3gpw h TYR 175 Cb 1.10 -0.02 -0.02 0.00 1.54 0.00 0.00 36.73 39.34 3gpw h TYR 175 CO 0.07 0.05 0.02 -0.07 -1.64 0.00 0.00 178.16 176.59 3gpw h LEU 176 N 0.21 0.77 -1.16 2.82 3.38 -0.94 0.30 115.31 120.69 3gpw h LEU 176 Ca 0.15 -0.29 0.00 0.00 0.09 0.00 0.00 57.88 57.82 3gpw h LEU 176 Cb 0.15 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.69 3gpw h LEU 176 CO -0.18 0.87 0.00 1.21 0.09 0.00 0.00 178.44 180.43 3gpw n GLU 177 N -4.40 0.12 -0.11 1.13 2.13 -0.45 -0.23 120.64 118.83 3gpw n GLU 177 Ca 0.00 0.60 -0.18 0.00 0.66 0.00 0.00 57.16 58.23 3gpw n GLU 177 Cb 0.29 -1.88 -0.07 0.00 0.27 0.00 0.00 31.44 30.05 3gpw n GLU 177 CO 0.00 0.00 0.00 -2.13 -0.41 0.00 0.00 177.13 174.59 3gpw n ARG 178 N -2.14 0.55 0.00 5.31 0.00 -0.74 -4.39 116.66 115.25 3gpw n ARG 178 Ca -0.01 0.30 0.05 0.00 -0.00 0.00 0.00 57.85 58.20 3gpw n ARG 178 Cb 0.05 -1.51 0.29 0.00 0.00 0.00 0.00 32.46 31.28 3gpw n ARG 178 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.63 180.04 3gpw n THR 179 N -4.39 0.60 0.00 5.15 -1.04 0.99 -4.36 114.28 111.22 3gpw n THR 179 Ca -0.32 0.15 0.00 0.00 -2.04 0.00 0.00 64.05 61.84 3gpw n THR 179 Cb 0.66 -0.97 0.00 0.00 -1.82 0.00 0.00 70.33 68.20 3gpw n THR 179 CO 0.00 0.00 0.00 -0.11 -0.64 0.00 0.00 175.07 174.32 3gpw n LEU 180 N -1.24 0.00 -0.05 -4.42 7.94 0.68 -0.27 117.00 119.64 3gpw n LEU 180 Ca 0.06 0.62 0.23 0.00 -1.11 0.00 0.00 56.01 55.81 3gpw n LEU 180 Cb 0.08 -0.22 0.55 0.00 0.53 0.00 0.00 43.42 44.36 3gpw n LEU 180 CO 0.08 -0.22 1.21 0.44 -1.11 0.00 0.00 177.39 177.79 3gpw h ASP 18 N 0.00 0.00 0.02 1.96 3.45 -1.88 -2.41 116.42 117.55 3gpw h ASP 18 Ca 0.00 0.00 -0.00 0.00 0.43 0.00 0.00 57.03 57.46 3gpw h ASP 18 Cb 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.77 3gpw h ASP 18 CO 0.00 0.00 -0.01 0.74 -1.57 0.00 0.00 179.24 178.40 3gpw h THR 18 N 0.00 0.00 0.00 0.35 2.02 -0.94 -3.40 112.91 110.94 3gpw h THR 18 Ca 0.34 -0.39 -0.06 0.00 0.77 0.00 0.00 66.41 67.07 3gpw h THR 18 Cb 2.10 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 68.51 3gpw h THR 18 CO -0.00 0.00 -0.28 2.19 0.37 0.00 0.00 175.52 177.80 3gpw h PHE 18 N -0.41 0.00 0.00 3.16 -5.15 -1.20 -2.84 116.94 110.49 3gpw h PHE 18 Ca -0.00 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.77 3gpw h PHE 18 Cb 0.02 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.19 3gpw h PHE 18 CO 0.01 0.28 0.00 1.51 -2.00 0.00 0.00 178.31 178.11 3gpw n ILE 18 N -4.08 1.44 0.09 0.88 3.06 -0.93 -0.59 119.36 119.22 3gpw n ILE 18 Ca -0.02 0.64 0.06 0.00 -2.50 0.00 0.00 62.75 60.93 3gpw n ILE 18 Cb 0.34 -1.64 0.12 0.00 0.54 0.00 0.00 39.64 39.00 3gpw n ILE 18 CO 0.00 0.00 0.00 0.29 -2.50 0.00 0.00 176.55 174.34 3gpw n LYS 18 N -1.94 1.97 -1.39 9.51 5.02 -1.07 -3.94 118.16 126.33 3gpw n LYS 18 Ca -0.01 -1.74 -0.39 0.00 -2.02 0.00 0.00 58.31 54.16 3gpw n LYS 18 Cb 0.02 -1.26 -0.02 0.00 -0.02 0.00 0.00 35.03 33.75 3gpw n LYS 18 CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 3gpw n ILE 18 N 0.62 3.22 -3.35 -0.18 2.08 0.24 -4.90 119.36 117.08 3gpw n ILE 18 Ca 0.10 -2.42 -0.38 0.00 0.56 0.00 0.00 62.75 60.61 3gpw n ILE 18 Cb 0.38 -2.49 -0.06 0.00 -0.75 0.00 0.00 39.64 36.72 3gpw n ILE 18 CO 0.00 0.00 0.00 -1.81 0.56 0.00 0.00 176.55 175.30 3gpw s ASP 183 N 3.33 6.81 -0.31 4.38 1.01 -1.26 -4.13 116.67 126.50 3gpw s ASP 183 Ca 0.54 0.96 0.00 0.00 0.71 0.00 0.00 52.55 54.76 3gpw s ASP 183 Cb 0.15 -2.29 0.00 0.00 1.01 0.00 0.00 42.92 41.78 3gpw s ASP 183 CO -0.03 0.15 0.00 0.61 0.21 0.00 0.00 175.17 176.10 3gpw n GLY 184 N 2.54 0.61 2.50 0.21 0.00 -1.26 -4.96 105.19 104.82 3gpw n GLY 184 Ca -0.10 -0.53 -0.20 0.00 0.00 0.00 0.00 46.02 45.19 3gpw n GLY 184 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3gpw n ASN 185 N 0.69 -1.40 -0.13 1.61 4.05 -1.26 -5.02 115.26 113.81 3gpw n ASN 185 Ca -0.03 -2.54 -0.05 0.00 0.45 0.00 0.00 54.58 52.41 3gpw n ASN 185 Cb 0.14 0.15 0.01 0.00 1.23 0.00 0.00 39.78 41.31 3gpw n ASN 185 CO 0.00 0.00 0.00 1.55 -3.05 0.00 0.00 177.26 175.76 3gpw h PRO 186 N 5.43 -0.14 -0.95 1.20 0.13 -1.93 -2.00 132.00 133.74 3gpw h PRO 186 Ca 0.21 0.01 0.22 0.00 -0.87 0.00 0.00 66.00 65.57 3gpw h PRO 186 Cb 0.97 0.03 -0.12 0.00 0.13 0.00 0.00 31.00 32.01 3gpw h PRO 186 CO 0.26 -0.09 0.50 -0.44 -0.23 0.00 0.00 178.00 178.00 3gpw h ASP 187 N -0.14 0.54 -0.51 1.44 3.32 -1.98 0.20 116.42 119.29 3gpw h ASP 187 Ca 0.20 0.14 -0.11 0.00 0.02 0.00 0.00 57.03 57.27 3gpw h ASP 187 Cb 0.46 0.06 -0.02 0.00 0.22 0.00 0.00 39.33 40.06 3gpw h ASP 187 CO -0.51 0.09 -0.12 -0.33 -1.72 0.00 0.00 179.24 176.65 3gpw h GLU 188 N 0.53 0.98 -0.36 3.56 4.39 -1.77 -1.18 114.58 120.73 3gpw h GLU 188 Ca 0.59 -0.38 -0.03 0.00 0.34 0.00 0.00 59.36 59.88 3gpw h GLU 188 Cb 1.08 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 29.66 3gpw h GLU 188 CO -0.48 1.05 0.10 1.25 -1.16 0.00 0.00 179.01 179.77 3gpw h LEU 189 N 0.85 0.54 -0.43 1.33 6.46 -0.43 -1.80 115.31 121.82 3gpw h LEU 189 Ca 0.13 -0.22 -0.00 0.00 -0.12 0.00 0.00 57.88 57.66 3gpw h LEU 189 Cb 0.69 -0.14 -0.02 0.00 -0.73 0.00 0.00 40.66 40.45 3gpw h LEU 189 CO 0.05 0.63 0.25 0.40 -0.62 0.00 0.00 178.44 179.15 3gpw h ILE 190 N 0.44 1.14 -0.73 4.05 2.04 -0.66 -0.91 117.51 122.88 3gpw h ILE 190 Ca 0.11 -0.34 0.03 0.00 1.00 0.00 0.00 64.86 65.67 3gpw h ILE 190 Cb 0.29 0.59 -0.04 0.00 -0.74 0.00 0.00 36.82 36.91 3gpw h ILE 190 CO -0.00 0.15 0.46 0.11 0.00 0.00 0.00 178.15 178.86 3gpw h LYS 191 N 0.57 0.87 -0.18 2.37 1.57 -1.11 0.48 116.57 121.14 3gpw h LYS 191 Ca 0.15 -0.05 -0.02 0.00 -1.87 0.00 0.00 60.65 58.86 3gpw h LYS 191 Cb 0.01 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 32.12 3gpw h LYS 191 CO -0.03 0.58 0.03 0.00 -0.57 0.00 0.00 179.45 179.46 3gpw h ALA 192 N 1.31 1.72 -0.22 3.86 0.00 -0.85 -0.01 119.26 125.06 3gpw h ALA 192 Ca 0.29 -0.09 -0.12 0.00 0.00 0.00 0.00 54.91 54.99 3gpw h ALA 192 Cb 0.01 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.71 3gpw h ALA 192 CO -0.11 0.22 -0.32 0.78 0.00 0.00 0.00 179.25 179.83 3gpw h GLY 193 N 0.46 0.66 1.85 0.00 0.00 0.38 -2.37 103.07 104.04 3gpw h GLY 193 Ca 0.06 -0.73 -0.07 0.00 0.00 0.00 0.00 47.33 46.59 3gpw h GLY 193 CO -0.00 0.66 -0.25 -2.08 0.00 0.00 0.00 176.54 174.87 3gpw h VAL 194 N 0.30 1.23 0.00 4.60 2.07 -0.27 -1.24 116.25 122.94 3gpw h VAL 194 Ca 0.02 -1.05 -0.11 0.00 0.82 0.00 0.00 66.70 66.38 3gpw h VAL 194 Cb 0.90 1.42 -0.02 0.00 -1.52 0.00 0.00 31.29 32.08 3gpw h VAL 194 CO 0.07 0.32 -0.51 -0.08 0.02 0.00 0.00 177.57 177.39 3gpw h GLU 195 N 0.17 0.00 0.21 1.57 4.81 -0.93 -1.43 114.58 118.97 3gpw h GLU 195 Ca 0.03 0.00 -0.32 0.00 -0.13 0.00 0.00 59.36 58.94 3gpw h GLU 195 Cb 0.54 0.00 0.03 0.00 0.63 0.00 0.00 28.75 29.95 3gpw h GLU 195 CO 0.04 0.51 -1.40 0.00 -0.73 0.00 0.00 179.01 177.43 3gpw h ALA 196 N 1.49 -0.09 -0.23 2.92 0.00 -0.95 -3.30 119.26 119.11 3gpw h ALA 196 Ca -0.01 -0.85 -0.14 0.00 0.00 0.00 0.00 54.91 53.92 3gpw h ALA 196 Cb 1.03 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.95 3gpw h ALA 196 CO 0.07 0.74 -0.42 0.97 0.00 0.00 0.00 179.25 180.60 3gpw h ILE 197 N 0.16 1.30 0.00 0.00 2.10 -1.12 -2.34 117.51 117.61 3gpw h ILE 197 Ca -0.22 -1.60 0.00 0.00 1.08 0.00 0.00 64.86 64.12 3gpw h ILE 197 Cb 2.09 1.59 0.00 0.00 -1.09 0.00 0.00 36.82 39.41 3gpw h ILE 197 CO 0.26 0.50 0.00 -1.54 -1.08 0.00 0.00 178.15 176.29 3gpw n SER 198 N -4.02 0.00 -0.06 2.19 3.41 -0.55 -1.36 113.62 113.24 3gpw n SER 198 Ca -0.02 0.33 0.15 0.00 -0.26 0.00 0.00 58.87 59.07 3gpw n SER 198 Cb 0.53 -0.41 0.83 0.00 -0.26 0.00 0.00 64.21 64.89 3gpw n SER 198 CO 0.00 0.00 0.00 1.67 -0.16 0.00 0.00 175.04 176.55 3gpw n GLN 199 N -1.41 1.08 0.00 4.33 -0.06 -0.88 -2.87 117.38 117.56 3gpw n GLN 199 Ca 0.05 -0.11 0.00 0.00 -2.00 0.00 0.00 57.00 54.94 3gpw n GLN 199 Cb 0.14 -1.46 0.00 0.00 -4.06 0.00 0.00 30.24 24.86 3gpw n GLN 199 CO 0.00 0.00 0.00 0.43 -0.20 0.00 0.00 177.06 177.29 3gpw n SER 200 N -0.83 1.48 -4.00 1.69 7.64 -0.46 -3.78 113.62 115.35 3gpw n SER 200 Ca 0.22 -1.69 -0.30 0.00 1.01 0.00 0.00 58.87 58.11 3gpw n SER 200 Cb 0.13 0.00 0.21 0.00 -1.01 0.00 0.00 64.21 63.54 3gpw n SER 200 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3gpw s LEU 201 N -0.69 1.95 0.00 -3.43 1.43 -1.14 -4.80 118.68 112.01 3gpw s LEU 201 Ca 0.00 0.40 0.00 0.00 -1.03 0.00 0.00 54.13 53.50 3gpw s LEU 201 Cb 0.00 -2.32 0.00 0.00 0.03 0.00 0.00 46.19 43.90 3gpw s LEU 201 CO 0.00 -3.27 0.00 -1.14 0.23 0.00 0.00 176.35 172.17 3gpw n ARG 202 N -4.15 0.00 0.00 1.70 0.63 -1.26 -5.01 116.66 108.57 3gpw n ARG 202 Ca 0.15 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.08 3gpw n ARG 202 Cb 0.59 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.50 3gpw n ARG 202 CO 0.00 0.00 0.00 -3.47 -2.51 0.00 0.00 177.63 171.65 3gpw n ASP 203 N 0.00 0.00 0.00 6.15 2.03 -1.26 -4.97 116.55 118.50 3gpw n ASP 203 Ca 0.00 0.71 0.00 0.00 0.52 0.00 0.00 54.79 56.02 3gpw n ASP 203 Cb 0.00 -0.23 0.00 0.00 -0.72 0.00 0.00 41.12 40.17 3gpw n ASP 203 CO 0.00 0.00 0.00 -1.84 -1.92 0.00 0.00 177.20 173.44 3gpw n GLU 204 N -1.18 3.72 -4.31 -0.67 0.28 -1.26 -5.16 120.64 112.06 3gpw n GLU 204 Ca 0.00 0.00 -0.18 0.00 -0.16 0.00 0.00 57.16 56.82 3gpw n GLU 204 Cb 0.00 0.00 -0.14 0.00 1.43 0.00 0.00 31.44 32.73 3gpw n GLU 204 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 3gpw s SER 206 N 1.00 1.09 -0.03 -1.84 0.15 -1.26 -4.91 113.70 107.90 3gpw s SER 206 Ca 0.00 -0.25 -0.32 0.00 0.70 0.00 0.00 55.95 56.08 3gpw s SER 206 Cb 0.00 -0.09 -0.10 0.00 -1.71 0.00 0.00 66.02 64.12 3gpw s SER 206 CO 0.00 0.05 1.94 0.00 1.20 0.00 0.00 173.24 176.43 3gpw n LEU 207 N 2.53 3.83 0.00 3.45 -0.00 -1.26 -4.98 117.00 120.57 3gpw n LEU 207 Ca -0.15 0.93 -0.11 0.00 -0.00 0.00 0.00 56.01 56.67 3gpw n LEU 207 Cb 0.56 -1.45 0.02 0.00 -0.00 0.00 0.00 43.42 42.55 3gpw n LEU 207 CO 0.24 0.08 0.12 0.35 -0.00 0.00 0.00 177.39 178.18 3gpw n THR 2 N 5.40 0.00 -0.06 1.47 -2.24 -1.26 -4.92 114.28 112.68 3gpw n THR 2 Ca 0.21 -1.01 -0.13 0.00 -2.27 0.00 0.00 64.05 60.86 3gpw n THR 2 Cb 0.36 -0.55 -0.07 0.00 -2.10 0.00 0.00 70.33 67.97 3gpw n THR 2 CO 0.00 0.00 0.00 1.62 -0.57 0.00 0.00 175.07 176.12 3gpw h VAL 2 N 0.27 1.34 -0.38 2.28 3.04 -1.93 -1.63 116.25 119.25 3gpw h VAL 2 Ca -0.15 -1.28 0.00 0.00 -1.01 0.00 0.00 66.70 64.26 3gpw h VAL 2 Cb 0.62 1.84 0.00 0.00 -2.01 0.00 0.00 31.29 31.74 3gpw h VAL 2 CO 0.22 0.38 0.00 -0.90 -1.01 0.00 0.00 177.57 176.26 3gpw n ASP 2 N -4.56 2.07 -0.04 3.17 5.68 -1.26 -2.72 116.55 118.91 3gpw n ASP 2 Ca -0.06 -2.01 -0.02 0.00 -0.50 0.00 0.00 54.79 52.20 3gpw n ASP 2 Cb 0.36 -0.26 -0.08 0.00 -1.14 0.00 0.00 41.12 40.00 3gpw n ASP 2 CO 0.00 0.00 0.00 -3.20 -1.33 0.00 0.00 177.20 172.67 3gpw n ASN 2 N 0.62 2.65 -4.85 -1.12 5.15 -1.14 -4.65 115.26 111.92 3gpw n ASN 2 Ca 0.13 0.00 -0.37 0.00 -0.60 0.00 0.00 54.58 53.74 3gpw n ASN 2 Cb 0.33 0.94 -0.06 0.00 -0.53 0.00 0.00 39.78 40.46 3gpw n ASN 2 CO 0.00 0.00 0.00 -0.22 1.40 0.00 0.00 177.26 178.44 3gpw s LEU 210 N -4.43 4.43 -0.04 1.20 2.96 -0.62 -1.67 118.68 120.50 3gpw s LEU 210 Ca -0.04 0.92 -0.00 0.00 -0.22 0.00 0.00 54.13 54.78 3gpw s LEU 210 Cb 0.04 -2.76 0.03 0.00 0.50 0.00 0.00 46.19 43.99 3gpw s LEU 210 CO 0.40 0.26 0.00 -0.55 -1.32 0.00 0.00 176.35 175.14 3gpw s SER 211 N -1.34 0.91 0.05 3.68 0.15 -0.95 -4.06 113.70 112.14 3gpw s SER 211 Ca 0.28 -0.05 0.04 0.00 0.70 0.00 0.00 55.95 56.92 3gpw s SER 211 Cb -0.16 -0.31 -0.02 0.00 -1.71 0.00 0.00 66.02 63.82 3gpw s SER 211 CO 0.15 -0.14 -0.12 -0.63 1.20 0.00 0.00 173.24 173.70 3gpw s ILE 212 N 1.40 0.96 -0.02 6.45 1.01 -0.42 -0.40 121.20 130.18 3gpw s ILE 212 Ca -0.04 -1.05 -0.03 0.00 0.00 0.00 0.00 60.65 59.52 3gpw s ILE 212 Cb -0.13 -0.91 0.00 0.00 0.01 0.00 0.00 42.46 41.43 3gpw s ILE 212 CO -0.03 -0.13 0.07 0.00 0.00 0.00 0.00 174.94 174.86 3gpw s ALA 213 N -1.03 -0.17 0.03 9.38 0.00 0.44 0.10 121.76 130.52 3gpw s ALA 213 Ca -0.02 0.03 -0.00 0.00 0.00 0.00 0.00 51.96 51.97 3gpw s ALA 213 Cb -0.08 -0.05 -0.03 0.00 0.00 0.00 0.00 23.12 22.96 3gpw s ALA 213 CO 0.01 -0.09 -0.03 -1.50 0.00 0.00 0.00 175.76 174.16 3gpw s ILE 214 N -0.44 0.17 -0.02 0.00 2.07 -0.77 -0.24 121.20 121.96 3gpw s ILE 214 Ca -0.05 -1.34 -0.17 0.00 -1.41 0.00 0.00 60.65 57.67 3gpw s ILE 214 Cb -0.03 -0.87 0.03 0.00 0.13 0.00 0.00 42.46 41.72 3gpw s ILE 214 CO 0.00 -0.74 0.37 0.54 -1.91 0.00 0.00 174.94 173.20 3gpw s VAL 215 N -2.64 0.05 0.00 4.00 0.11 -0.86 -1.48 120.40 119.57 3gpw s VAL 215 Ca -0.05 -0.41 0.00 0.00 -2.93 0.00 0.00 61.98 58.59 3gpw s VAL 215 Cb -0.01 -0.68 0.00 0.00 -1.53 0.00 0.00 36.38 34.15 3gpw s VAL 215 CO -0.05 -0.23 0.00 0.61 -3.33 0.00 0.00 175.10 172.10 3gpw n GLY 216 N 1.19 -0.51 0.00 6.54 0.00 -0.25 -1.26 105.19 110.90 3gpw n GLY 216 Ca -0.21 -1.10 0.00 0.00 0.00 0.00 0.00 46.02 44.71 3gpw n GLY 216 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3gpw n LYS 217 N -0.44 0.00 -2.25 1.61 4.81 -0.74 0.14 118.16 121.28 3gpw n LYS 217 Ca 0.00 0.00 -0.19 0.00 -0.87 0.00 0.00 58.31 57.25 3gpw n LYS 217 Cb 0.00 0.00 0.03 0.00 0.02 0.00 0.00 35.03 35.08 3gpw n LYS 217 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 3gpw n ASP 218 N -1.82 4.09 -3.64 3.14 10.43 -1.26 -4.98 116.55 122.52 3gpw n ASP 218 Ca 0.00 -3.34 -0.28 0.00 2.57 0.00 0.00 54.79 53.74 3gpw n ASP 218 Cb 0.00 -0.38 -0.16 0.00 1.84 0.00 0.00 41.12 42.42 3gpw n ASP 218 CO 0.00 0.00 0.00 -0.89 -1.07 0.00 0.00 177.20 175.24 3gpw s THR 219 N -4.46 0.22 0.31 -3.53 2.01 0.36 -5.12 115.64 105.43 3gpw s THR 219 Ca 0.45 -0.65 -0.29 0.00 0.31 0.00 0.00 61.69 61.51 3gpw s THR 219 Cb 0.39 -0.99 -0.10 0.00 0.01 0.00 0.00 72.50 71.81 3gpw s THR 219 CO 0.01 -0.48 1.27 -2.16 -0.69 0.00 0.00 174.62 172.57 3gpw s PRO 220 N 1.98 4.41 -0.43 4.92 0.04 -1.26 -1.09 135.00 143.57 3gpw s PRO 220 Ca 0.05 2.13 -0.43 0.00 0.04 0.00 0.00 61.00 62.79 3gpw s PRO 220 Cb -0.16 -3.11 -0.17 0.00 0.04 0.00 0.00 34.50 31.10 3gpw s PRO 220 CO -0.21 -0.13 1.93 0.34 0.04 0.00 0.00 177.00 178.97 3gpw n PHE 221 N 1.10 1.58 -4.15 0.56 -0.00 -0.09 -4.75 117.46 111.72 3gpw n PHE 221 Ca 0.01 0.74 -0.17 0.00 -0.00 0.00 0.00 57.45 58.03 3gpw n PHE 221 Cb 0.42 -2.35 -0.12 0.00 -0.00 0.00 0.00 39.48 37.43 3gpw n PHE 221 CO 0.00 0.00 0.00 0.95 -0.00 0.00 0.00 176.76 177.71 3gpw s THR 222 N 4.94 0.89 -0.13 -2.13 -4.23 -0.55 -4.93 115.64 109.51 3gpw s THR 222 Ca 1.10 -1.17 -0.01 0.00 -1.18 0.00 0.00 61.69 60.43 3gpw s THR 222 Cb -1.30 -0.88 -0.02 0.00 1.34 0.00 0.00 72.50 71.63 3gpw s THR 222 CO 0.67 -0.25 -0.10 -0.63 -0.54 0.00 0.00 174.62 173.78 3gpw s ILE 223 N -1.24 3.36 -0.15 2.99 1.01 -1.26 -1.86 121.20 124.05 3gpw s ILE 223 Ca -0.04 -0.56 -0.01 0.00 0.00 0.00 0.00 60.65 60.04 3gpw s ILE 223 Cb -0.10 -2.43 -0.01 0.00 0.01 0.00 0.00 42.46 39.94 3gpw s ILE 223 CO 0.01 0.52 -0.12 -0.31 0.00 0.00 0.00 174.94 175.05 3gpw s TYR 224 N 0.22 2.84 0.02 3.97 2.02 0.28 -4.99 117.35 121.71 3gpw s TYR 224 Ca -0.06 -0.77 0.01 0.00 -0.37 0.00 0.00 57.07 55.88 3gpw s TYR 224 Cb -0.15 -1.90 -0.02 0.00 -0.40 0.00 0.00 41.96 39.49 3gpw s TYR 224 CO 0.04 -0.32 -0.05 -0.51 -1.57 0.00 0.00 175.55 173.14 3gpw s ASP 225 N 0.65 0.51 0.71 2.29 1.01 -1.26 -1.30 116.67 119.29 3gpw s ASP 225 Ca -0.06 -0.37 0.00 0.00 0.71 0.00 0.00 52.55 52.82 3gpw s ASP 225 Cb -0.15 0.03 0.00 0.00 1.01 0.00 0.00 42.92 43.81 3gpw s ASP 225 CO 0.03 -0.15 0.00 0.61 0.21 0.00 0.00 175.17 175.86 3gpw n GLY 226 N 2.00 2.14 0.22 0.21 0.00 -1.10 -3.41 105.19 105.25 3gpw n GLY 226 Ca -0.20 -0.54 0.11 0.00 0.00 0.00 0.00 46.02 45.40 3gpw n GLY 226 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3gpw n GLU 227 N 12.52 -0.05 0.30 1.61 4.71 -1.26 0.22 120.64 138.69 3gpw n GLU 227 Ca 0.00 0.95 0.19 0.00 -0.01 0.00 0.00 57.16 58.29 3gpw n GLU 227 Cb 0.00 -1.55 1.02 0.00 -1.01 0.00 0.00 31.44 29.91 3gpw n GLU 227 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 3gpw h ALA 228 N 1.29 1.33 -0.02 0.62 0.00 -1.94 -0.62 119.26 119.92 3gpw h ALA 228 Ca 0.42 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.33 3gpw h ALA 228 Cb 0.92 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.71 3gpw h ALA 228 CO -0.59 -0.10 -0.13 1.33 0.00 0.00 0.00 179.25 179.76 3gpw n VAL 229 N -3.38 0.00 -0.33 0.00 0.24 0.59 -4.54 118.33 110.90 3gpw n VAL 229 Ca -0.02 -0.44 0.08 0.00 -2.04 0.00 0.00 64.34 61.92 3gpw n VAL 229 Cb 0.16 1.32 0.24 0.00 -1.47 0.00 0.00 33.84 34.09 3gpw n VAL 229 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3gpw h ALA 230 N 3.35 1.42 0.00 2.33 0.00 -0.80 -1.01 119.26 124.56 3gpw h ALA 230 Ca 0.00 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.97 3gpw h ALA 230 Cb 0.69 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.38 3gpw h ALA 230 CO 0.00 0.04 0.00 0.36 0.00 0.00 0.00 179.25 179.65 3gpw n LYS 231 N -4.75 0.53 0.00 0.00 0.00 -1.26 -2.35 118.16 110.32 3gpw n LYS 231 Ca 0.19 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.50 3gpw n LYS 231 Cb 0.42 -1.05 0.00 0.00 -0.00 0.00 0.00 35.03 34.40 3gpw n LYS 231 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.40 178.06 3gpw n TYR 232 N -0.37 0.00 1.81 5.58 4.02 -0.38 -5.12 117.16 122.70 3gpw n TYR 232 Ca 0.00 0.00 0.15 0.00 -0.01 0.00 0.00 57.90 58.04 3gpw n TYR 232 Cb 0.02 0.00 0.78 0.00 -0.02 0.00 0.00 39.34 40.13 3gpw n TYR 232 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 176.86 174.96