#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 -0.29 -4.13 0.63 -1.26 0.89 116.66 112.49 3gpw n ARG 5 Ca 0.00 0.14 0.29 0.00 -0.92 0.00 0.00 57.85 57.36 3gpw n ARG 5 Cb 0.00 -0.20 0.65 0.00 0.45 0.00 0.00 32.46 33.36 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 0.85 6.15 -1.24 -2.07 0.28 115.58 119.72 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 -0.28 0.59 -1.29 0.00 0.00 177.43 176.40 3gpw n ASN 7 N -4.37 0.37 -0.21 1.15 5.03 0.26 -4.02 115.26 113.48 3gpw n ASN 7 Ca 0.24 0.18 0.08 0.00 0.87 0.00 0.00 54.58 55.94 3gpw n ASN 7 Cb 1.04 -0.16 0.11 0.00 -1.02 0.00 0.00 39.78 39.75 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 -1.67 0.00 -1.05 3.10 4.01 0.90 -4.72 117.16 117.72 3gpw n TYR 8 Ca 0.06 -0.82 0.05 0.00 -0.16 0.00 0.00 57.90 57.03 3gpw n TYR 8 Cb 0.36 -0.14 0.07 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 -1.10 1.60 0.00 7.72 3.85 -0.79 -4.47 116.55 123.36 3gpw n ASP 9 Ca 0.13 -2.49 0.12 0.00 -0.71 0.00 0.00 54.79 51.84 3gpw n ASP 9 Cb 0.66 -0.26 0.53 0.00 -1.35 0.00 0.00 41.12 40.70 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 -0.84 -1.35 3.61 6.12 0.00 -1.26 -4.58 105.19 106.89 3gpw n GLY 10 Ca 0.08 -0.09 -0.05 0.00 0.00 0.00 0.00 46.02 45.97 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 -3.00 -0.14 0.43 1.61 1.47 -1.26 -5.04 116.67 110.74 3gpw s ASP 11 Ca 0.12 0.11 0.29 0.00 1.18 0.00 0.00 52.55 54.25 3gpw s ASP 11 Cb 0.16 0.13 1.54 0.00 -0.34 0.00 0.00 42.92 44.41 3gpw s ASP 11 CO 0.45 -0.16 1.89 0.74 0.68 0.00 0.00 175.17 178.77 3gpw h THR 12 N 2.15 0.00 -0.09 2.11 2.02 -1.88 -2.88 112.91 114.34 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 0.73 0.00 0.00 -1.74 0.00 0.00 68.15 68.31 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 -2.54 0.12 -5.09 3.16 3.14 -1.26 -4.62 118.33 111.23 3gpw n VAL 13 Ca -0.01 -0.13 -0.32 0.00 -2.96 0.00 0.00 64.34 60.91 3gpw n VAL 13 Cb 0.08 0.01 -0.16 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 -1.88 2.30 0.13 1.55 2.01 -1.09 -5.06 115.64 113.61 3gpw s THR 14 Ca 0.16 -0.93 -0.15 0.00 0.31 0.00 0.00 61.69 61.07 3gpw s THR 14 Cb 0.08 -1.91 -0.07 0.00 0.01 0.00 0.00 72.50 70.61 3gpw s THR 14 CO 0.12 0.55 0.56 -0.36 -0.69 0.00 0.00 174.62 174.80 3gpw s PHE 15 N 0.36 3.65 0.75 4.92 0.08 -1.26 -4.68 117.98 121.80 3gpw s PHE 15 Ca -0.17 1.11 -0.08 0.00 0.12 0.00 0.00 56.93 57.91 3gpw s PHE 15 Cb -0.17 -2.40 0.08 0.00 -0.57 0.00 0.00 43.02 39.96 3gpw s PHE 15 CO 0.08 0.46 1.08 -1.54 -0.10 0.00 0.00 175.22 175.20 3gpw s SER 16 N -1.57 4.55 0.63 1.36 1.04 -0.42 -4.92 113.70 114.36 3gpw s SER 16 Ca 0.36 0.45 0.42 0.00 0.48 0.00 0.00 55.95 57.65 3gpw s SER 16 Cb -0.16 -0.99 2.19 0.00 0.10 0.00 0.00 66.02 67.16 3gpw s SER 16 CO 0.19 -1.79 2.27 -0.65 0.98 0.00 0.00 173.24 174.24 3gpw h PRO 17 N -0.79 0.00 -0.11 4.02 0.11 -1.98 -1.81 132.00 131.45 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 1.31 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.42 3gpw h PRO 17 CO 0.58 0.00 0.00 0.25 -0.21 0.00 0.00 178.00 178.62 3gpw n THR 18 N -3.03 0.11 -0.41 -1.15 -2.24 -1.26 -4.95 114.28 101.35 3gpw n THR 18 Ca -0.02 -0.52 0.00 0.00 -2.27 0.00 0.00 64.05 61.23 3gpw n THR 18 Cb 0.11 1.27 0.00 0.00 -2.10 0.00 0.00 70.33 69.61 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 1.36 0.81 3.97 3.38 0.00 -0.68 -5.09 105.19 108.94 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 -0.88 3.45 -0.53 1.61 0.52 -1.26 -4.81 118.95 117.05 3gpw s ARG 20 Ca 0.00 -0.70 0.04 0.00 -0.52 0.00 0.00 55.73 54.55 3gpw s ARG 20 Cb 0.00 -2.86 0.14 0.00 0.52 0.00 0.00 34.95 32.75 3gpw s ARG 20 CO 0.00 0.40 0.30 -0.51 0.02 0.00 0.00 175.30 175.50 3gpw s LEU 21 N -4.01 3.89 0.23 2.53 1.43 -1.26 -1.30 118.68 120.19 3gpw s LEU 21 Ca 0.35 -3.06 -0.06 0.00 -1.03 0.00 0.00 54.13 50.33 3gpw s LEU 21 Cb -0.09 -1.45 0.36 0.00 0.03 0.00 0.00 46.19 45.04 3gpw s LEU 21 CO 0.30 -0.21 1.78 -0.26 0.23 0.00 0.00 176.35 178.18 3gpw h PHE 22 N 6.35 0.65 -0.96 0.29 0.04 -1.83 -1.33 116.94 120.13 3gpw h PHE 22 Ca -0.01 0.03 0.09 0.00 2.80 0.00 0.00 57.97 60.88 3gpw h PHE 22 Cb 0.88 -0.18 -0.08 0.00 2.20 0.00 0.00 35.95 38.77 3gpw h PHE 22 CO 0.53 0.22 0.60 1.96 -0.60 0.00 0.00 178.31 181.02 3gpw h GLN 23 N 0.60 0.98 -0.42 1.51 1.08 -1.86 0.78 115.11 117.80 3gpw h GLN 23 Ca 0.36 -0.06 -0.04 0.00 -1.45 0.00 0.00 58.65 57.47 3gpw h GLN 23 Cb 0.40 -0.22 -0.02 0.00 -0.05 0.00 0.00 27.48 27.59 3gpw h GLN 23 CO -0.28 0.65 0.11 0.28 -0.95 0.00 0.00 178.83 178.64 3gpw h VAL 24 N 1.01 1.23 -0.57 -0.54 2.07 -1.67 -1.39 116.25 116.39 3gpw h VAL 24 Ca 0.45 -0.77 -0.07 0.00 0.82 0.00 0.00 66.70 67.13 3gpw h VAL 24 Cb 0.34 0.93 -0.02 0.00 -1.52 0.00 0.00 31.29 31.02 3gpw h VAL 24 CO -0.23 0.27 0.07 -0.33 0.02 0.00 0.00 177.57 177.37 3gpw h GLU 25 N 0.54 0.93 -0.02 1.57 5.08 -0.01 -1.28 114.58 121.39 3gpw h GLU 25 Ca 0.13 -0.24 -0.07 0.00 -1.00 0.00 0.00 59.36 58.18 3gpw h GLU 25 Cb 0.30 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.42 3gpw h GLU 25 CO -0.00 0.88 -0.33 1.88 -1.00 0.00 0.00 179.01 180.44 3gpw h TYR 26 N 0.87 0.04 -0.11 4.33 0.05 0.74 -1.98 116.97 120.91 3gpw h TYR 26 Ca 0.17 -0.01 -0.03 0.00 0.05 0.00 0.00 58.73 58.91 3gpw h TYR 26 Cb 0.42 -0.01 -0.00 0.00 1.01 0.00 0.00 36.73 38.15 3gpw h TYR 26 CO 0.03 0.36 -0.06 0.00 -1.05 0.00 0.00 178.16 177.44 3gpw h ALA 27 N 1.64 0.16 -0.41 3.88 0.00 -0.62 -2.55 119.26 121.36 3gpw h ALA 27 Ca 0.00 -0.26 0.12 0.00 0.00 0.00 0.00 54.91 54.77 3gpw h ALA 27 Cb 0.60 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 3gpw h ALA 27 CO 0.04 -0.06 0.36 -0.07 0.00 0.00 0.00 179.25 179.52 3gpw h LEU 28 N -0.13 0.00 -0.91 0.00 4.07 -0.76 0.14 115.31 117.73 3gpw h LEU 28 Ca 0.02 0.00 -0.10 0.00 0.08 0.00 0.00 57.88 57.88 3gpw h LEU 28 Cb 0.53 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.26 3gpw h LEU 28 CO 0.02 0.00 -0.31 -0.08 -1.08 0.00 0.00 178.44 176.99 3gpw h GLU 29 N 0.00 0.44 -0.03 1.13 4.57 -0.94 -2.51 114.58 117.23 3gpw h GLU 29 Ca 0.19 -0.18 -0.02 0.00 -1.18 0.00 0.00 59.36 58.18 3gpw h GLU 29 Cb 0.90 -0.02 -0.00 0.00 -0.16 0.00 0.00 28.75 29.47 3gpw h GLU 29 CO -0.00 0.70 -0.06 0.00 -1.18 0.00 0.00 179.01 178.47 3gpw h ALA 30 N 1.30 1.84 0.12 2.92 0.00 -0.64 -2.50 119.26 122.30 3gpw h ALA 30 Ca 0.05 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 3gpw h ALA 30 Cb 0.73 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.50 3gpw h ALA 30 CO 0.06 0.12 -0.06 0.82 0.00 0.00 0.00 179.25 180.19 3gpw h ILE 31 N 0.05 1.06 -0.82 0.00 2.04 -1.46 -2.92 117.51 115.46 3gpw h ILE 31 Ca 0.01 -0.84 0.19 0.00 1.00 0.00 0.00 64.86 65.22 3gpw h ILE 31 Cb 0.13 1.58 -0.05 0.00 -0.74 0.00 0.00 36.82 37.74 3gpw h ILE 31 CO 0.01 0.20 0.55 0.11 0.00 0.00 0.00 178.15 179.02 3gpw h LYS 32 N -0.56 0.33 0.00 2.37 6.56 -1.39 0.87 116.57 124.75 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 0.45 -0.07 0.00 0.00 -0.57 0.00 0.00 32.23 32.03 3gpw h LYS 32 CO 0.03 0.22 0.00 0.94 -2.06 0.00 0.00 179.45 178.58 3gpw n GLN 33 N -4.46 0.32 -2.73 3.15 7.27 -0.99 -1.98 117.38 117.95 3gpw n GLN 33 Ca 0.17 0.04 -0.30 0.00 0.07 0.00 0.00 57.00 56.98 3gpw n GLN 33 Cb 0.66 -1.50 -0.02 0.00 2.41 0.00 0.00 30.24 31.79 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 -2.63 1.81 0.55 1.69 0.00 0.30 -4.82 107.32 104.22 3gpw s GLY 34 Ca 0.23 -0.27 -0.21 0.00 0.00 0.00 0.00 44.72 44.47 3gpw s GLY 34 CO 0.41 -0.08 1.30 -0.45 0.00 0.00 0.00 173.10 174.27 3gpw s SER 35 N -3.47 5.32 0.56 1.64 0.15 -1.26 0.25 113.70 116.87 3gpw s SER 35 Ca 0.51 2.62 -0.20 0.00 0.70 0.00 0.00 55.95 59.58 3gpw s SER 35 Cb -0.10 -2.62 -0.05 0.00 -1.71 0.00 0.00 66.02 61.53 3gpw s SER 35 CO 0.36 -1.53 1.17 0.54 1.20 0.00 0.00 173.24 174.99 3gpw s VAL 36 N -1.39 2.92 -0.07 4.45 0.11 -1.26 -4.49 120.40 120.67 3gpw s VAL 36 Ca 0.73 0.58 -0.14 0.00 -2.93 0.00 0.00 61.98 60.22 3gpw s VAL 36 Cb -0.37 -3.24 0.03 0.00 -1.53 0.00 0.00 36.38 31.27 3gpw s VAL 36 CO 0.43 -0.11 0.33 0.28 -3.33 0.00 0.00 175.10 172.69 3gpw s THR 37 N -1.67 0.03 0.18 5.04 -1.32 -0.66 -1.61 115.64 115.63 3gpw s THR 37 Ca 0.74 -0.24 0.09 0.00 -1.21 0.00 0.00 61.69 61.07 3gpw s THR 37 Cb -0.27 -0.55 -0.04 0.00 -1.51 0.00 0.00 72.50 70.12 3gpw s THR 37 CO 0.30 -0.13 -0.18 -0.69 -2.21 0.00 0.00 174.62 171.71 3gpw s VAL 38 N -0.59 1.86 -0.06 5.08 1.01 0.32 -1.76 120.40 126.25 3gpw s VAL 38 Ca -0.07 -1.98 -0.06 0.00 0.00 0.00 0.00 61.98 59.87 3gpw s VAL 38 Cb -0.04 -1.90 0.02 0.00 0.00 0.00 0.00 36.38 34.46 3gpw s VAL 38 CO 0.02 -0.34 0.17 -0.83 0.00 0.00 0.00 175.10 174.12 3gpw s GLY 39 N -2.79 -0.12 0.01 4.51 0.00 0.49 -1.17 107.32 108.25 3gpw s GLY 39 Ca 0.17 0.48 -0.26 0.00 0.00 0.00 0.00 44.72 45.12 3gpw s GLY 39 CO 0.07 0.44 0.59 0.48 0.00 0.00 0.00 173.10 174.68 3gpw s LEU 40 N 0.16 -0.33 0.02 0.66 2.34 -0.94 0.05 118.68 120.65 3gpw s LEU 40 Ca -0.01 0.40 -0.03 0.00 0.06 0.00 0.00 54.13 54.55 3gpw s LEU 40 Cb -0.02 2.30 -0.01 0.00 -0.56 0.00 0.00 46.19 47.90 3gpw s LEU 40 CO -0.00 -0.67 0.05 0.00 -1.06 0.00 0.00 176.35 174.66 3gpw s ARG 41 N -1.91 0.46 0.00 1.48 1.70 0.09 -0.26 118.95 120.50 3gpw s ARG 41 Ca -0.08 -0.64 0.00 0.00 -0.47 0.00 0.00 55.73 54.54 3gpw s ARG 41 Cb -0.01 0.17 0.00 0.00 -0.57 0.00 0.00 34.95 34.55 3gpw s ARG 41 CO 0.03 -0.10 0.00 -1.13 -1.08 0.00 0.00 175.30 173.02 3gpw n SER 42 N 1.21 0.00 -0.14 -2.89 3.41 -0.12 -4.44 113.62 110.66 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 0.94 -0.01 4.04 3.02 -1.25 -4.58 115.26 117.41 3gpw n ASN 43 Ca 0.00 -0.97 -0.01 0.00 -0.03 0.00 0.00 54.58 53.57 3gpw n ASN 43 Cb 0.00 0.72 -0.03 0.00 -0.61 0.00 0.00 39.78 39.86 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 -0.71 0.20 -4.25 3.41 -2.24 -1.26 -4.29 114.28 105.14 3gpw n THR 44 Ca 0.04 -0.15 -0.14 0.00 -2.27 0.00 0.00 64.05 61.52 3gpw n THR 44 Cb 0.21 -0.49 -0.10 0.00 -2.10 0.00 0.00 70.33 67.85 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 -2.17 1.28 -0.01 4.78 3.76 -1.26 -1.82 115.29 119.85 3gpw s HIS 45 Ca -0.02 -1.22 0.01 0.00 -0.15 0.00 0.00 55.06 53.68 3gpw s HIS 45 Cb 0.02 -0.71 0.00 0.00 1.11 0.00 0.00 32.58 33.01 3gpw s HIS 45 CO 0.18 -0.43 -0.02 0.00 -0.85 0.00 0.00 174.74 173.62 3gpw s ALA 46 N -3.90 0.21 0.06 -1.40 0.00 -0.45 -0.94 121.76 115.35 3gpw s ALA 46 Ca 0.34 -0.04 0.06 0.00 0.00 0.00 0.00 51.96 52.31 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 0.10 0.02 -0.16 0.08 0.00 0.00 0.00 175.76 175.80 3gpw s VAL 47 N 0.15 1.28 -0.11 0.00 1.01 0.64 -2.09 120.40 121.29 3gpw s VAL 47 Ca -0.01 -1.23 0.01 0.00 0.00 0.00 0.00 61.98 60.75 3gpw s VAL 47 Cb -0.03 -1.18 0.02 0.00 0.00 0.00 0.00 36.38 35.18 3gpw s VAL 47 CO -0.00 -0.07 -0.14 -0.76 0.00 0.00 0.00 175.10 174.13 3gpw s LEU 48 N -1.49 1.65 -0.14 3.92 1.43 0.54 -2.21 118.68 122.38 3gpw s LEU 48 Ca 0.02 -0.41 0.02 0.00 -1.03 0.00 0.00 54.13 52.73 3gpw s LEU 48 Cb -0.09 -1.04 0.02 0.00 0.03 0.00 0.00 46.19 45.10 3gpw s LEU 48 CO 0.02 -0.01 -0.18 -0.69 0.23 0.00 0.00 176.35 175.73 3gpw s VAL 49 N 1.09 1.77 -0.02 -1.59 1.01 -0.32 -0.41 120.40 121.93 3gpw s VAL 49 Ca -0.05 -0.79 0.02 0.00 0.00 0.00 0.00 61.98 61.16 3gpw s VAL 49 Cb -0.14 -1.60 0.00 0.00 0.00 0.00 0.00 36.38 34.63 3gpw s VAL 49 CO -0.03 0.49 -0.07 0.00 0.00 0.00 0.00 175.10 175.50 3gpw s ALA 50 N 1.07 0.67 -0.37 5.51 0.00 0.38 0.12 121.76 129.13 3gpw s ALA 50 Ca -0.03 -0.26 -0.25 0.00 0.00 0.00 0.00 51.96 51.42 3gpw s ALA 50 Cb -0.14 -0.24 0.01 0.00 0.00 0.00 0.00 23.12 22.75 3gpw s ALA 50 CO -0.05 0.11 0.89 -1.17 0.00 0.00 0.00 175.76 175.54 3gpw s LEU 51 N 0.14 4.03 0.17 0.00 2.96 -0.63 -2.30 118.68 123.04 3gpw s LEU 51 Ca -0.02 0.49 -0.29 0.00 -0.22 0.00 0.00 54.13 54.10 3gpw s LEU 51 Cb -0.07 -3.20 -0.07 0.00 0.50 0.00 0.00 46.19 43.35 3gpw s LEU 51 CO -0.00 -0.84 0.89 -0.54 -1.32 0.00 0.00 176.35 174.54 3gpw s LYS 52 N 3.40 4.72 -0.09 1.98 1.02 -0.65 -4.58 119.74 125.54 3gpw s LYS 52 Ca 0.36 1.37 -0.02 0.00 0.02 0.00 0.00 55.97 57.70 3gpw s LYS 52 Cb -0.12 -3.31 -0.03 0.00 -0.52 0.00 0.00 37.83 33.84 3gpw s LYS 52 CO 0.19 0.41 0.01 0.50 -0.92 0.00 0.00 175.35 175.54 3gpw s ARG 53 N -0.71 3.01 0.13 1.68 3.52 -1.26 -4.88 118.95 120.44 3gpw s ARG 53 Ca 0.41 -0.39 0.07 0.00 -0.13 0.00 0.00 55.73 55.70 3gpw s ARG 53 Cb -0.24 -2.82 -0.04 0.00 -1.56 0.00 0.00 34.95 30.29 3gpw s ARG 53 CO 0.29 0.71 -0.09 0.54 -0.81 0.00 0.00 175.30 175.94 3gpw s ASN 54 N -0.91 4.41 -0.01 -2.12 4.22 -1.26 -2.04 114.94 117.22 3gpw s ASN 54 Ca 0.14 -0.43 -0.01 0.00 -2.14 0.00 0.00 52.86 50.42 3gpw s ASN 54 Cb -0.11 -0.83 -0.01 0.00 1.28 0.00 0.00 41.25 41.58 3gpw s ASN 54 CO 0.03 0.15 0.18 0.00 -2.04 0.00 0.00 177.10 175.42 3gpw h ALA 55 N 3.37 -0.17 -4.49 3.54 0.00 -1.86 -3.49 119.26 116.15 3gpw h ALA 55 Ca -0.48 -0.01 -0.18 0.00 0.00 0.00 0.00 54.91 54.23 3gpw h ALA 55 Cb 1.18 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.96 3gpw h ALA 55 CO 0.53 -0.17 -0.10 -0.25 0.00 0.00 0.00 179.25 179.26 3gpw n ASP 56 N -2.56 1.81 -0.81 0.00 9.92 -1.26 -4.99 116.55 118.66 3gpw n ASP 56 Ca -0.01 -1.61 0.11 0.00 -0.53 0.00 0.00 54.79 52.75 3gpw n ASP 56 Cb 0.02 0.03 0.30 0.00 -0.64 0.00 0.00 41.12 40.82 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 -0.74 2.06 0.00 -1.24 4.71 -1.26 -3.10 120.64 121.08 3gpw n GLU 57 Ca -0.02 -1.60 0.06 0.00 -0.01 0.00 0.00 57.16 55.59 3gpw n GLU 57 Cb 0.19 -1.44 0.03 0.00 -1.01 0.00 0.00 31.44 29.21 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 0.83 1.79 -4.87 -4.62 4.32 -1.26 -5.00 117.00 108.18 3gpw n LEU 58 Ca 0.17 -0.92 -0.21 0.00 -0.02 0.00 0.00 56.01 55.03 3gpw n LEU 58 Cb 0.45 0.00 -0.03 0.00 -1.62 0.00 0.00 43.42 42.22 3gpw n LEU 58 CO 0.14 0.34 -0.07 -0.94 -1.22 0.00 0.00 177.39 175.64 3gpw s SER 59 N -1.19 5.36 0.69 -1.43 1.04 -1.18 -5.12 113.70 111.87 3gpw s SER 59 Ca 0.13 -0.47 -0.07 0.00 0.48 0.00 0.00 55.95 56.02 3gpw s SER 59 Cb 0.10 -1.00 0.05 0.00 0.10 0.00 0.00 66.02 65.28 3gpw s SER 59 CO 0.20 -0.36 1.01 -0.94 0.98 0.00 0.00 173.24 174.12 3gpw s SER 60 N -4.01 4.92 -0.44 7.02 1.04 -1.26 -4.77 113.70 116.20 3gpw s SER 60 Ca 0.41 0.51 -0.15 0.00 0.48 0.00 0.00 55.95 57.21 3gpw s SER 60 Cb -0.06 -1.21 0.04 0.00 0.10 0.00 0.00 66.02 64.90 3gpw s SER 60 CO 0.27 -1.53 0.35 -0.31 0.98 0.00 0.00 173.24 173.00 3gpw s TYR 63 N -3.23 3.24 -0.08 5.02 1.51 -1.26 -4.10 117.35 118.45 3gpw s TYR 63 Ca 0.59 -0.75 -0.39 0.00 -1.01 0.00 0.00 57.07 55.52 3gpw s TYR 63 Cb -0.11 -2.87 -0.17 0.00 -0.11 0.00 0.00 41.96 38.71 3gpw s TYR 63 CO 0.45 -0.69 1.43 0.94 -1.11 0.00 0.00 175.55 176.57 3gpw n GLN 64 N 5.18 0.87 -1.76 -0.62 7.27 -0.87 -4.78 117.38 122.67 3gpw n GLN 64 Ca -0.12 0.31 -0.41 0.00 0.07 0.00 0.00 57.00 56.86 3gpw n GLN 64 Cb 0.45 -1.93 -0.01 0.00 2.41 0.00 0.00 30.24 31.16 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 3.27 2.73 0.00 3.69 2.85 -1.26 -4.38 118.16 125.06 3gpw n LYS 65 Ca 0.22 0.97 0.00 0.00 -1.05 0.00 0.00 58.31 58.45 3gpw n LYS 65 Cb 0.13 -2.74 0.00 0.00 -0.65 0.00 0.00 35.03 31.77 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 1.54 -0.47 -5.23 -1.58 5.02 -1.26 -5.00 118.16 111.17 3gpw n LYS 66 Ca 0.06 -0.62 -0.32 0.00 -2.02 0.00 0.00 58.31 55.41 3gpw n LYS 66 Cb 0.38 -0.99 -0.17 0.00 -0.02 0.00 0.00 35.03 34.23 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 -0.13 2.10 -0.05 -0.18 1.01 -1.26 -1.16 121.20 121.53 3gpw s ILE 67 Ca 0.00 -1.03 0.03 0.00 0.00 0.00 0.00 60.65 59.65 3gpw s ILE 67 Cb 0.00 -1.77 0.00 0.00 0.01 0.00 0.00 42.46 40.70 3gpw s ILE 67 CO 0.00 0.57 -0.15 -0.63 0.00 0.00 0.00 174.94 174.73 3gpw s ILE 68 N 0.03 1.27 -0.12 2.92 -1.09 -0.39 -5.00 121.20 118.82 3gpw s ILE 68 Ca -0.09 -0.61 -0.21 0.00 -2.23 0.00 0.00 60.65 57.51 3gpw s ILE 68 Cb -0.15 -1.11 -0.04 0.00 -1.58 0.00 0.00 42.46 39.58 3gpw s ILE 68 CO 0.06 0.37 0.60 -0.75 -1.23 0.00 0.00 174.94 173.99 3gpw s LYS 69 N 0.23 4.34 -0.14 2.79 2.20 -1.26 -0.82 119.74 127.07 3gpw s LYS 69 Ca -0.07 0.66 0.18 0.00 -0.36 0.00 0.00 55.97 56.38 3gpw s LYS 69 Cb -0.12 -3.48 -0.25 0.00 -1.51 0.00 0.00 37.83 32.46 3gpw s LYS 69 CO 0.02 0.01 0.23 0.00 -0.36 0.00 0.00 175.35 175.26 3gpw n ASP 71 N -2.71 -0.90 0.14 0.00 4.64 -0.89 -4.41 116.55 112.41 3gpw n ASP 71 Ca -0.26 -1.57 0.13 0.00 -1.38 0.00 0.00 54.79 51.71 3gpw n ASP 71 Cb 1.04 1.49 0.46 0.00 -1.04 0.00 0.00 41.12 43.07 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 -1.97 -3.17 114.58 113.17 3gpw h GLU 72 Ca -0.13 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.57 3gpw h GLU 72 Cb 0.53 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.18 3gpw h GLU 72 CO 0.17 0.00 0.00 -2.39 -1.16 0.00 0.00 179.01 175.63 3gpw n HIS 73 N -2.40 0.00 -3.85 4.33 1.44 -1.26 -1.00 115.22 112.47 3gpw n HIS 73 Ca 0.03 -0.34 -0.11 0.00 -2.01 0.00 0.00 57.72 55.30 3gpw n HIS 73 Cb 0.33 -0.03 -0.09 0.00 0.12 0.00 0.00 29.99 30.31 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 -0.67 0.62 0.01 -1.40 -2.45 -1.20 -1.97 119.30 112.24 3gpw s MET 74 Ca 0.00 -0.53 -0.29 0.00 -1.25 0.00 0.00 55.69 53.62 3gpw s MET 74 Cb 0.00 0.26 0.11 0.00 1.25 0.00 0.00 34.83 36.45 3gpw s MET 74 CO 0.00 -0.17 1.22 0.20 1.05 0.00 0.00 175.02 177.33 3gpw s GLY 75 N -1.81 -0.38 0.27 2.11 0.00 -0.80 -1.19 107.32 105.52 3gpw s GLY 75 Ca -0.09 0.60 -0.04 0.00 0.00 0.00 0.00 44.72 45.18 3gpw s GLY 75 CO -0.01 0.10 0.35 0.48 0.00 0.00 0.00 173.10 174.02 3gpw s LEU 76 N -2.97 0.90 0.04 0.66 2.34 -0.00 -0.96 118.68 118.70 3gpw s LEU 76 Ca 0.14 -1.31 0.07 0.00 0.06 0.00 0.00 54.13 53.09 3gpw s LEU 76 Cb 0.04 1.15 -0.02 0.00 -0.56 0.00 0.00 46.19 46.79 3gpw s LEU 76 CO -0.03 -1.09 -0.19 -0.94 -1.06 0.00 0.00 176.35 173.04 3gpw s SER 77 N -3.16 2.26 0.16 1.48 1.04 0.03 -1.26 113.70 114.26 3gpw s SER 77 Ca 0.31 -0.50 0.10 0.00 0.48 0.00 0.00 55.95 56.34 3gpw s SER 77 Cb 0.02 -0.18 -0.04 0.00 0.10 0.00 0.00 66.02 65.92 3gpw s SER 77 CO 0.15 0.13 -0.18 -1.48 0.98 0.00 0.00 173.24 172.84 3gpw s LEU 78 N -1.14 2.67 -0.22 2.42 0.05 -0.31 -0.96 118.68 121.19 3gpw s LEU 78 Ca 0.06 -0.66 -0.03 0.00 0.05 0.00 0.00 54.13 53.54 3gpw s LEU 78 Cb -0.08 -1.45 0.10 0.00 -2.05 0.00 0.00 46.19 42.71 3gpw s LEU 78 CO 0.02 0.14 0.22 0.00 -0.55 0.00 0.00 176.35 176.18 3gpw s ALA 79 N -1.43 -0.22 0.00 1.48 0.00 -0.31 -4.92 121.76 116.36 3gpw s ALA 79 Ca 0.20 0.06 0.00 0.00 0.00 0.00 0.00 51.96 52.22 3gpw s ALA 79 Cb -0.09 -1.40 0.00 0.00 0.00 0.00 0.00 23.12 21.63 3gpw s ALA 79 CO 0.11 -1.32 0.00 0.41 0.00 0.00 0.00 175.76 174.96 3gpw n GLY 80 N 5.31 0.42 3.60 0.00 0.00 -1.26 -0.34 105.19 112.92 3gpw n GLY 80 Ca -0.05 -1.55 -0.43 0.00 0.00 0.00 0.00 46.02 43.99 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 3.53 0.17 0.99 1.43 0.14 -4.89 118.68 120.05 3gpw s LEU 81 Ca 0.00 1.43 -0.15 0.00 -1.03 0.00 0.00 54.13 54.38 3gpw s LEU 81 Cb 0.00 -3.52 0.13 0.00 0.03 0.00 0.00 46.19 42.83 3gpw s LEU 81 CO 0.00 -1.70 1.72 0.00 0.23 0.00 0.00 176.35 176.59 3gpw h ALA 82 N 13.01 0.46 -0.88 4.21 0.00 -1.96 -2.34 119.26 131.76 3gpw h ALA 82 Ca -0.35 0.09 0.16 0.00 0.00 0.00 0.00 54.91 54.82 3gpw h ALA 82 Cb 1.18 0.13 -0.10 0.00 0.00 0.00 0.00 17.79 18.99 3gpw h ALA 82 CO 1.02 -0.33 0.46 -1.35 0.00 0.00 0.00 179.25 179.05 3gpw h PRO 83 N 0.20 0.59 0.00 0.00 0.11 -1.98 0.55 132.00 131.48 3gpw h PRO 83 Ca 0.21 -0.04 -0.04 0.00 0.11 0.00 0.00 66.00 66.25 3gpw h PRO 83 Cb 0.27 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 31.24 3gpw h PRO 83 CO -0.28 0.39 -0.17 -0.44 -0.21 0.00 0.00 178.00 177.29 3gpw h ASP 84 N 0.61 0.00 0.56 -2.05 3.45 -1.80 -1.80 116.42 115.40 3gpw h ASP 84 Ca 0.50 0.00 -0.23 0.00 0.43 0.00 0.00 57.03 57.72 3gpw h ASP 84 Cb 0.75 0.00 -0.00 0.00 -0.56 0.00 0.00 39.33 39.52 3gpw h ASP 84 CO -0.39 0.17 -1.02 0.00 -1.57 0.00 0.00 179.24 176.43 3gpw h ALA 85 N 1.83 0.33 -0.47 3.45 0.00 -0.79 -1.90 119.26 121.71 3gpw h ALA 85 Ca -0.00 -0.79 -0.02 0.00 0.00 0.00 0.00 54.91 54.10 3gpw h ALA 85 Cb 0.44 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 3gpw h ALA 85 CO 0.02 0.93 0.21 -0.09 0.00 0.00 0.00 179.25 180.32 3gpw h ARG 86 N 0.12 0.69 0.12 0.00 2.43 -0.59 0.43 114.38 117.58 3gpw h ARG 86 Ca -0.08 -0.11 -0.01 0.00 -0.81 0.00 0.00 59.98 58.97 3gpw h ARG 86 Cb 1.70 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 31.13 3gpw h ARG 86 CO 0.16 0.60 -0.06 0.28 -1.51 0.00 0.00 179.97 179.45 3gpw h VAL 87 N 0.62 0.97 -0.62 0.20 2.07 -1.33 0.13 116.25 118.29 3gpw h VAL 87 Ca 0.16 -0.38 -0.08 0.00 0.82 0.00 0.00 66.70 67.22 3gpw h VAL 87 Cb 0.15 1.21 -0.02 0.00 -1.52 0.00 0.00 31.29 31.11 3gpw h VAL 87 CO -0.02 0.09 0.06 -0.07 0.02 0.00 0.00 177.57 177.66 3gpw h LEU 88 N -0.34 0.99 -0.44 2.57 3.38 -1.20 -1.24 115.31 119.02 3gpw h LEU 88 Ca -0.02 -0.25 -0.17 0.00 0.09 0.00 0.00 57.88 57.54 3gpw h LEU 88 Cb 0.28 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.76 3gpw h LEU 88 CO 0.03 1.01 -0.50 0.77 0.09 0.00 0.00 178.44 179.84 3gpw h SER 89 N 0.96 0.81 -0.81 -0.43 4.64 -0.14 -1.10 113.55 117.48 3gpw h SER 89 Ca 0.19 -0.41 0.00 0.00 -0.47 0.00 0.00 61.79 61.10 3gpw h SER 89 Cb 0.46 -0.23 -0.04 0.00 -0.31 0.00 0.00 62.40 62.28 3gpw h SER 89 CO 0.02 1.17 0.51 -1.13 -0.87 0.00 0.00 176.83 176.53 3gpw h ASN 90 N 0.58 0.96 -0.26 4.97 -0.73 -0.71 0.36 115.58 120.75 3gpw h ASN 90 Ca 0.03 -0.05 -0.07 0.00 1.87 0.00 0.00 56.30 58.08 3gpw h ASN 90 Cb 1.07 -0.24 -0.02 0.00 0.27 0.00 0.00 38.32 39.40 3gpw h ASN 90 CO 0.10 0.72 -0.06 0.22 -0.37 0.00 0.00 177.43 178.04 3gpw h TYR 91 N 1.11 0.67 -0.10 0.67 5.03 -1.00 -1.44 116.97 121.91 3gpw h TYR 91 Ca 0.29 -0.09 -0.13 0.00 2.58 0.00 0.00 58.73 61.38 3gpw h TYR 91 Cb -0.08 -0.18 -0.01 0.00 1.55 0.00 0.00 36.73 38.00 3gpw h TYR 91 CO -0.01 0.68 -0.53 1.25 -1.32 0.00 0.00 178.16 178.23 3gpw h LEU 92 N 0.58 0.30 -0.58 2.82 5.85 0.10 -1.45 115.31 122.94 3gpw h LEU 92 Ca 0.11 -0.15 -0.08 0.00 0.84 0.00 0.00 57.88 58.60 3gpw h LEU 92 Cb 0.46 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.38 3gpw h LEU 92 CO 0.02 0.78 0.06 0.03 -0.34 0.00 0.00 178.44 178.99 3gpw h ARG 93 N 0.21 0.98 -0.30 1.25 3.08 0.32 -1.67 114.38 118.25 3gpw h ARG 93 Ca 0.00 -0.28 -0.05 0.00 0.07 0.00 0.00 59.98 59.72 3gpw h ARG 93 Cb 1.00 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.94 3gpw h ARG 93 CO 0.08 0.95 -0.02 1.96 -1.07 0.00 0.00 179.97 181.87 3gpw h GLN 94 N 0.87 0.55 -0.67 0.04 4.20 -1.08 -1.42 115.11 117.61 3gpw h GLN 94 Ca 0.17 -0.19 -0.01 0.00 0.06 0.00 0.00 58.65 58.69 3gpw h GLN 94 Cb 0.47 -0.04 -0.03 0.00 0.30 0.00 0.00 27.48 28.17 3gpw h GLN 94 CO 0.02 0.71 0.39 1.96 -0.67 0.00 0.00 178.83 181.23 3gpw h GLN 95 N 0.34 0.91 -0.37 1.46 1.08 -1.13 0.30 115.11 117.70 3gpw h GLN 95 Ca 0.08 -0.08 -0.17 0.00 -1.45 0.00 0.00 58.65 57.03 3gpw h GLN 95 Cb 0.47 -0.19 -0.00 0.00 -0.05 0.00 0.00 27.48 27.71 3gpw h GLN 95 CO 0.02 0.65 -0.42 0.00 -0.95 0.00 0.00 178.83 178.13 3gpw h ASN 97 N 0.75 0.86 0.20 0.00 -0.00 -0.56 -2.29 115.58 114.53 3gpw h ASN 97 Ca 0.05 -0.21 -0.01 0.00 -0.00 0.00 0.00 56.30 56.13 3gpw h ASN 97 Cb 1.02 -0.22 0.00 0.00 -0.00 0.00 0.00 38.32 39.12 3gpw h ASN 97 CO 0.10 0.84 -0.10 0.22 -0.00 0.00 0.00 177.43 178.50 3gpw h TYR 98 N 0.82 -0.25 -0.79 0.67 3.20 -0.33 -0.57 116.97 119.73 3gpw h TYR 98 Ca 0.19 -0.01 0.14 0.00 3.14 0.00 0.00 58.73 62.19 3gpw h TYR 98 Cb 0.30 0.08 -0.09 0.00 1.54 0.00 0.00 36.73 38.56 3gpw h TYR 98 CO 0.02 -0.12 0.36 1.03 -1.64 0.00 0.00 178.16 177.81 3gpw h SER 99 N -0.31 0.38 0.53 -2.11 0.87 -1.24 -0.65 113.55 111.01 3gpw h SER 99 Ca -0.03 0.10 -0.03 0.00 -1.23 0.00 0.00 61.79 60.61 3gpw h SER 99 Cb 0.24 0.05 0.01 0.00 -0.44 0.00 0.00 62.40 62.26 3gpw h SER 99 CO 0.05 0.15 -0.25 0.28 -0.53 0.00 0.00 176.83 176.53 3gpw h SER 100 N 0.52 -0.60 -0.24 6.23 0.02 -1.08 -1.43 113.55 116.97 3gpw h SER 100 Ca 0.43 -0.06 0.04 0.00 -0.84 0.00 0.00 61.79 61.37 3gpw h SER 100 Cb 0.63 0.15 -0.04 0.00 0.14 0.00 0.00 62.40 63.29 3gpw h SER 100 CO -0.38 -0.23 -0.00 -0.07 -1.14 0.00 0.00 176.83 175.00 3gpw h LEU 101 N -1.02 -0.10 0.06 5.07 3.38 -0.81 0.52 115.31 122.41 3gpw h LEU 101 Ca -0.07 0.05 -0.13 0.00 0.09 0.00 0.00 57.88 57.82 3gpw h LEU 101 Cb 0.62 0.10 0.01 0.00 0.09 0.00 0.00 40.66 41.48 3gpw h LEU 101 CO 0.12 -0.02 -0.54 0.58 0.09 0.00 0.00 178.44 178.67 3gpw h VAL 102 N 0.07 1.54 -0.02 1.22 2.07 -1.23 -3.38 116.25 116.53 3gpw h VAL 102 Ca 0.11 -2.29 0.00 0.00 0.82 0.00 0.00 66.70 65.34 3gpw h VAL 102 Cb 0.15 3.01 0.00 0.00 -1.52 0.00 0.00 31.29 32.93 3gpw h VAL 102 CO -0.19 0.64 -0.01 0.49 0.02 0.00 0.00 177.57 178.52 3gpw n PHE 103 N -4.29 0.00 -3.90 1.57 3.01 -0.58 -4.97 117.46 108.30 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 0.68 0.00 0.01 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 0.75 -2.74 -4.00 4.37 4.05 0.18 -4.95 115.26 112.92 3gpw n ASN 104 Ca 0.08 -0.86 -0.17 0.00 0.45 0.00 0.00 54.58 54.08 3gpw n ASN 104 Cb 0.35 -3.65 -0.14 0.00 1.23 0.00 0.00 39.78 37.56 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 -6.46 0.62 0.11 1.20 3.52 -1.07 -4.96 118.95 111.90 3gpw s ARG 105 Ca 0.36 -0.29 -0.26 0.00 -0.13 0.00 0.00 55.73 55.40 3gpw s ARG 105 Cb -0.18 -0.59 -0.07 0.00 -1.56 0.00 0.00 34.95 32.55 3gpw s ARG 105 CO 0.85 0.16 0.82 0.15 -0.81 0.00 0.00 175.30 176.47 3gpw s LYS 106 N -0.23 4.59 0.04 5.12 1.02 -1.26 -2.45 119.74 126.56 3gpw s LYS 106 Ca 0.03 1.21 -0.30 0.00 0.02 0.00 0.00 55.97 56.92 3gpw s LYS 106 Cb -0.03 -3.33 -0.07 0.00 -0.52 0.00 0.00 37.83 33.88 3gpw s LYS 106 CO -0.00 0.37 1.59 -1.17 -0.92 0.00 0.00 175.35 175.22 3gpw s LEU 107 N -0.45 4.35 0.28 3.17 2.96 -1.26 -4.95 118.68 122.78 3gpw s LEU 107 Ca 0.40 2.36 -0.30 0.00 -0.22 0.00 0.00 54.13 56.37 3gpw s LEU 107 Cb -0.22 -3.56 -0.11 0.00 0.50 0.00 0.00 46.19 42.80 3gpw s LEU 107 CO 0.26 -0.85 1.52 0.00 -1.32 0.00 0.00 176.35 175.97 3gpw s ALA 108 N 2.74 3.69 0.40 5.97 0.00 -1.26 -4.87 121.76 128.43 3gpw s ALA 108 Ca 0.71 1.47 0.09 0.00 0.00 0.00 0.00 51.96 54.24 3gpw s ALA 108 Cb -0.37 -3.61 0.89 0.00 0.00 0.00 0.00 23.12 20.03 3gpw s ALA 108 CO 0.30 -0.89 2.00 0.28 0.00 0.00 0.00 175.76 177.45 3gpw h VAL 109 N 3.41 1.00 -0.15 0.00 2.07 -1.93 0.67 116.25 121.32 3gpw h VAL 109 Ca -0.47 -0.19 -0.12 0.00 0.82 0.00 0.00 66.70 66.74 3gpw h VAL 109 Cb 1.22 0.39 -0.01 0.00 -1.52 0.00 0.00 31.29 31.36 3gpw h VAL 109 CO 0.77 0.10 -0.44 -0.08 0.02 0.00 0.00 177.57 177.95 3gpw h GLU 110 N 0.56 0.36 -0.20 1.57 4.81 -2.00 -2.24 114.58 117.44 3gpw h GLU 110 Ca 0.25 -0.18 -0.17 0.00 -0.13 0.00 0.00 59.36 59.12 3gpw h GLU 110 Cb 0.28 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.66 3gpw h GLU 110 CO -0.07 0.73 -0.58 -0.09 -0.73 0.00 0.00 179.01 178.27 3gpw h ARG 111 N 0.29 0.64 -0.76 1.92 9.65 -1.31 -2.57 114.38 122.24 3gpw h ARG 111 Ca 0.02 -0.42 -0.02 0.00 -1.10 0.00 0.00 59.98 58.46 3gpw h ARG 111 Cb 0.90 0.05 -0.04 0.00 -1.39 0.00 0.00 29.97 29.49 3gpw h ARG 111 CO 0.07 1.04 0.40 0.00 2.80 0.00 0.00 179.97 184.28 3gpw h ALA 112 N 0.87 0.98 -0.52 2.80 0.00 -0.91 -1.62 119.26 120.86 3gpw h ALA 112 Ca 0.00 -0.13 0.02 0.00 0.00 0.00 0.00 54.91 54.80 3gpw h ALA 112 Cb 1.15 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 18.60 3gpw h ALA 112 CO 0.11 0.51 0.32 0.78 0.00 0.00 0.00 179.25 180.97 3gpw h GLY 113 N 1.06 0.73 1.23 0.00 0.00 -1.22 -0.89 103.07 103.99 3gpw h GLY 113 Ca 0.27 -0.24 -0.02 0.00 0.00 0.00 0.00 47.33 47.33 3gpw h GLY 113 CO -0.04 0.21 0.34 0.45 0.00 0.00 0.00 176.54 177.50 3gpw h HIS 114 N 0.63 0.99 -0.35 5.60 -0.00 -1.04 -1.22 115.15 119.77 3gpw h HIS 114 Ca 0.20 -0.04 -0.12 0.00 -0.00 0.00 0.00 60.37 60.42 3gpw h HIS 114 Cb -0.00 -0.31 -0.01 0.00 -0.00 0.00 0.00 27.41 27.08 3gpw h HIS 114 CO -0.06 0.72 -0.26 -0.07 -0.00 0.00 0.00 177.93 178.26 3gpw h LEU 115 N 1.00 0.73 -0.27 2.43 3.38 -0.62 -1.98 115.31 119.98 3gpw h LEU 115 Ca 0.24 -0.27 -0.13 0.00 0.09 0.00 0.00 57.88 57.81 3gpw h LEU 115 Cb 0.09 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 40.64 3gpw h LEU 115 CO -0.03 0.96 -0.34 -0.07 0.09 0.00 0.00 178.44 179.05 3gpw h LEU 116 N 0.62 0.77 -0.09 1.67 3.38 -0.83 -2.10 115.31 118.72 3gpw h LEU 116 Ca 0.08 -0.49 0.03 0.00 0.09 0.00 0.00 57.88 57.58 3gpw h LEU 116 Cb 0.76 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 41.27 3gpw h LEU 116 CO 0.06 1.11 -0.07 0.00 0.09 0.00 0.00 178.44 179.63 3gpw h ASP 118 N -0.08 0.03 0.27 0.00 3.32 -1.33 0.00 116.42 118.64 3gpw h ASP 118 Ca 0.06 -0.01 -0.23 0.00 0.02 0.00 0.00 57.03 56.88 3gpw h ASP 118 Cb 0.16 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 39.71 3gpw h ASP 118 CO -0.14 0.23 -0.92 0.50 -1.72 0.00 0.00 179.24 177.19 3gpw h LYS 119 N 0.03 0.46 -0.21 3.56 3.64 -0.94 -3.14 116.57 119.98 3gpw h LYS 119 Ca 0.01 -0.47 -0.15 0.00 -1.27 0.00 0.00 60.65 58.76 3gpw h LYS 119 Cb 0.37 0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 32.31 3gpw h LYS 119 CO 0.03 1.12 -0.49 0.00 -2.27 0.00 0.00 179.45 177.84 3gpw h ALA 120 N 0.72 0.75 -0.93 5.00 0.00 -0.73 -3.21 119.26 120.85 3gpw h ALA 120 Ca -0.08 -0.48 -0.00 0.00 0.00 0.00 0.00 54.91 54.34 3gpw h ALA 120 Cb 1.55 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 19.20 3gpw h ALA 120 CO 0.16 0.67 0.57 0.37 0.00 0.00 0.00 179.25 181.02 3gpw h GLN 121 N 0.45 1.26 -0.25 0.00 -0.00 -1.00 -2.42 115.11 113.16 3gpw h GLN 121 Ca 0.02 -0.11 0.06 0.00 -0.00 0.00 0.00 58.65 58.62 3gpw h GLN 121 Cb 1.02 -0.27 -0.01 0.00 0.00 0.00 0.00 27.48 28.23 3gpw h GLN 121 CO 0.09 0.88 0.18 0.87 0.00 0.00 0.00 178.83 180.85 3gpw h LYS 122 N 1.28 0.03 -0.39 1.69 1.57 -1.54 -0.44 116.57 118.77 3gpw h LYS 122 Ca 0.34 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.11 3gpw h LYS 122 Cb -0.06 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.24 3gpw h LYS 122 CO -0.06 0.02 0.00 0.09 -0.57 0.00 0.00 179.45 178.93 3gpw n ASN 123 N -4.47 1.26 0.00 0.86 3.02 -0.91 -3.52 115.26 111.50 3gpw n ASN 123 Ca 0.03 -2.06 0.00 0.00 -0.03 0.00 0.00 54.58 52.51 3gpw n ASN 123 Cb 0.30 -0.24 0.00 0.00 -0.61 0.00 0.00 39.78 39.23 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 0.04 0.35 -0.09 3.41 -2.24 -0.18 -3.35 114.28 112.23 3gpw n THR 124 Ca 0.06 -0.49 0.00 0.00 -2.27 0.00 0.00 64.05 61.35 3gpw n THR 124 Cb 0.24 0.98 0.00 0.00 -2.10 0.00 0.00 70.33 69.46 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 -0.18 3.21 -4.57 -0.78 7.27 -1.23 -4.64 117.38 116.47 3gpw n GLN 125 Ca 0.00 -0.08 -0.30 0.00 0.07 0.00 0.00 57.00 56.69 3gpw n GLN 125 Cb 0.23 -0.44 -0.13 0.00 2.41 0.00 0.00 30.24 32.32 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 -0.48 3.66 0.42 1.69 0.01 -1.25 -4.84 113.70 112.90 3gpw s SER 126 Ca 0.00 -0.53 -0.25 0.00 1.31 0.00 0.00 55.95 56.48 3gpw s SER 126 Cb 0.00 -0.49 -0.08 0.00 0.21 0.00 0.00 66.02 65.66 3gpw s SER 126 CO 0.00 0.23 1.20 -0.47 0.41 0.00 0.00 173.24 174.60 3gpw s TYR 127 N -0.98 2.97 0.00 2.43 5.04 -1.26 -3.75 117.35 121.80 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 -3.45 0.00 0.00 0.35 0.00 0.00 41.96 38.76 3gpw s TYR 127 CO 0.06 -1.53 0.00 0.41 -1.34 0.00 0.00 175.55 173.16 3gpw n GLY 128 N 0.61 3.06 0.94 8.97 0.00 -1.26 -5.04 105.19 112.48 3gpw n GLY 128 Ca 0.05 -0.85 -0.07 0.00 0.00 0.00 0.00 46.02 45.15 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 -1.04 3.13 -0.02 0.00 -1.25 -5.11 105.19 100.91 3gpw n GLY 129 Ca 0.00 -1.71 -0.11 0.00 0.00 0.00 0.00 46.02 44.21 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 -3.65 0.57 0.83 1.61 1.70 -1.26 -4.75 118.95 113.99 3gpw s ARG 130 Ca 0.18 -0.53 -0.11 0.00 -0.47 0.00 0.00 55.73 54.81 3gpw s ARG 130 Cb -0.01 0.23 0.09 0.00 -0.57 0.00 0.00 34.95 34.70 3gpw s ARG 130 CO 0.13 -0.15 1.09 -2.14 -1.08 0.00 0.00 175.30 173.15 3gpw s PRO 131 N -1.94 1.82 0.35 3.89 0.02 -1.21 -4.85 135.00 133.07 3gpw s PRO 131 Ca -0.10 1.00 -0.26 0.00 0.02 0.00 0.00 61.00 61.65 3gpw s PRO 131 Cb -0.05 -1.86 -0.09 0.00 0.02 0.00 0.00 34.50 32.52 3gpw s PRO 131 CO -0.01 -1.90 1.07 0.71 -0.33 0.00 0.00 177.00 176.54 3gpw s TYR 132 N -2.93 3.40 -0.78 6.54 1.51 -1.26 -4.95 117.35 118.88 3gpw s TYR 132 Ca 0.62 1.67 0.02 0.00 -1.01 0.00 0.00 57.07 58.37 3gpw s TYR 132 Cb -0.17 -3.19 0.34 0.00 -0.11 0.00 0.00 41.96 38.83 3gpw s TYR 132 CO 0.56 -0.58 1.46 0.41 -1.11 0.00 0.00 175.55 176.29 3gpw n GLY 133 N 0.70 5.87 3.51 0.71 0.00 -1.26 -4.65 105.19 110.07 3gpw n GLY 133 Ca 0.02 -2.66 -0.17 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 -4.61 0.01 0.06 1.61 0.11 -1.26 0.23 120.40 116.54 3gpw s VAL 134 Ca 0.45 -0.04 0.03 0.00 -2.93 0.00 0.00 61.98 59.49 3gpw s VAL 134 Cb 0.28 -0.95 -0.04 0.00 -1.53 0.00 0.00 36.38 34.14 3gpw s VAL 134 CO -0.18 -0.02 0.01 -0.83 -3.33 0.00 0.00 175.10 170.75 3gpw s GLY 135 N -0.85 1.92 0.01 6.54 0.00 0.53 -4.00 107.32 111.48 3gpw s GLY 135 Ca -0.09 -1.05 0.02 0.00 0.00 0.00 0.00 44.72 43.61 3gpw s GLY 135 CO 0.07 -0.99 -0.08 1.08 0.00 0.00 0.00 173.10 173.19 3gpw s LEU 136 N -2.06 2.09 -0.24 0.66 1.43 -0.68 -1.16 118.68 118.72 3gpw s LEU 136 Ca 0.24 -0.26 0.02 0.00 -1.03 0.00 0.00 54.13 53.09 3gpw s LEU 136 Cb -0.12 -0.32 0.05 0.00 0.03 0.00 0.00 46.19 45.83 3gpw s LEU 136 CO 0.16 0.01 -0.12 -0.76 0.23 0.00 0.00 176.35 175.87 3gpw s LEU 137 N -0.62 3.13 -0.18 1.79 1.43 -0.13 0.77 118.68 124.87 3gpw s LEU 137 Ca -0.01 -1.15 -0.08 0.00 -1.03 0.00 0.00 54.13 51.87 3gpw s LEU 137 Cb -0.05 -1.56 -0.04 0.00 0.03 0.00 0.00 46.19 44.57 3gpw s LEU 137 CO 0.00 -0.14 0.07 -0.63 0.23 0.00 0.00 176.35 175.88 3gpw s ILE 138 N 1.18 4.91 0.07 -0.59 1.09 0.63 -0.79 121.20 127.70 3gpw s ILE 138 Ca -0.04 0.01 0.07 0.00 -1.10 0.00 0.00 60.65 59.59 3gpw s ILE 138 Cb -0.18 -3.21 -0.03 0.00 -1.06 0.00 0.00 42.46 37.98 3gpw s ILE 138 CO -0.07 0.47 -0.20 0.27 -0.10 0.00 0.00 174.94 175.31 3gpw s ILE 139 N 0.28 1.59 -0.19 2.92 -4.36 -0.13 0.91 121.20 122.21 3gpw s ILE 139 Ca 0.05 -1.30 -0.32 0.00 -0.26 0.00 0.00 60.65 58.81 3gpw s ILE 139 Cb -0.12 -1.42 0.15 0.00 1.25 0.00 0.00 42.46 42.32 3gpw s ILE 139 CO -0.00 0.07 1.18 -0.83 0.24 0.00 0.00 174.94 175.60 3gpw s GLY 140 N -1.46 -0.21 -0.23 6.27 0.00 -0.71 -1.91 107.32 109.07 3gpw s GLY 140 Ca 0.06 1.92 -0.03 0.00 0.00 0.00 0.00 44.72 46.67 3gpw s GLY 140 CO 0.03 0.74 -0.06 -0.47 0.00 0.00 0.00 173.10 173.34 3gpw s TYR 141 N -1.90 2.98 0.00 1.90 5.04 -0.83 -0.87 117.35 123.67 3gpw s TYR 141 Ca 0.07 -1.19 0.00 0.00 -2.44 0.00 0.00 57.07 53.51 3gpw s TYR 141 Cb -0.01 -2.08 0.00 0.00 0.35 0.00 0.00 41.96 40.22 3gpw s TYR 141 CO -0.04 -0.63 0.00 -0.40 -1.34 0.00 0.00 175.55 173.13 3gpw n ASP 142 N 4.75 1.20 0.00 4.32 3.85 -0.52 -4.84 116.55 125.31 3gpw n ASP 142 Ca -0.18 0.00 0.05 0.00 -0.71 0.00 0.00 54.79 53.95 3gpw n ASP 142 Cb 0.49 0.00 0.30 0.00 -1.35 0.00 0.00 41.12 40.56 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 0.28 -0.21 0.11 5.02 -1.26 -2.10 118.16 119.99 3gpw n LYS 143 Ca 0.00 0.05 0.07 0.00 -2.02 0.00 0.00 58.31 56.41 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 -1.08 1.60 0.00 4.39 3.41 -1.26 -5.12 113.62 115.56 3gpw n SER 144 Ca 0.07 -2.75 0.00 0.00 -0.26 0.00 0.00 58.87 55.93 3gpw n SER 144 Cb 0.05 -0.36 0.00 0.00 -0.26 0.00 0.00 64.21 63.64 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 -0.98 -1.11 3.81 5.00 0.00 -0.89 -4.98 105.19 106.04 3gpw n GLY 145 Ca 0.11 -1.93 -0.35 0.00 0.00 0.00 0.00 46.02 43.84 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 -1.44 121.76 124.91 3gpw s ALA 146 Ca 0.00 0.35 -0.08 0.00 0.00 0.00 0.00 51.96 52.23 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 0.15 -1.01 0.00 0.00 0.00 175.76 175.12 3gpw s HIS 147 N -1.77 0.04 -0.02 0.00 3.76 -0.05 -4.98 115.29 112.27 3gpw s HIS 147 Ca 0.52 -0.16 0.00 0.00 -0.15 0.00 0.00 55.06 55.27 3gpw s HIS 147 Cb -0.15 -0.05 0.03 0.00 1.11 0.00 0.00 32.58 33.52 3gpw s HIS 147 CO 0.20 -0.31 0.02 -1.17 -0.85 0.00 0.00 174.74 172.62 3gpw s LEU 148 N -1.51 1.15 0.06 0.89 2.96 -1.25 -1.74 118.68 119.25 3gpw s LEU 148 Ca -0.13 0.01 0.06 0.00 -0.22 0.00 0.00 54.13 53.85 3gpw s LEU 148 Cb -0.06 -0.12 -0.03 0.00 0.50 0.00 0.00 46.19 46.47 3gpw s LEU 148 CO 0.01 -0.11 -0.17 -0.76 -1.32 0.00 0.00 176.35 173.99 3gpw s LEU 149 N 1.00 2.22 -0.16 -0.68 1.02 0.26 -1.49 118.68 120.85 3gpw s LEU 149 Ca -0.09 -0.56 0.01 0.00 0.02 0.00 0.00 54.13 53.51 3gpw s LEU 149 Cb -0.13 -0.73 0.01 0.00 0.02 0.00 0.00 46.19 45.36 3gpw s LEU 149 CO -0.02 0.05 -0.18 -0.70 0.02 0.00 0.00 176.35 175.51 3gpw s GLU 150 N -1.44 3.11 -0.19 1.70 2.12 0.55 -0.27 118.70 124.28 3gpw s GLU 150 Ca 0.03 -0.80 -0.04 0.00 0.36 0.00 0.00 54.97 54.53 3gpw s GLU 150 Cb -0.09 -2.57 -0.02 0.00 0.26 0.00 0.00 34.13 31.71 3gpw s GLU 150 CO 0.02 -0.06 -0.03 0.12 -0.54 0.00 0.00 175.26 174.77 3gpw s PHE 151 N 0.97 2.99 -0.05 5.30 5.36 0.23 -1.15 117.98 131.63 3gpw s PHE 151 Ca -0.03 -0.57 0.03 0.00 -0.96 0.00 0.00 56.93 55.41 3gpw s PHE 151 Cb -0.15 -2.04 -0.03 0.00 -0.34 0.00 0.00 43.02 40.47 3gpw s PHE 151 CO -0.04 -0.28 -0.13 -0.65 -1.46 0.00 0.00 175.22 172.66 3gpw s GLN 152 N 0.93 2.56 0.65 10.12 -1.52 0.06 -1.68 119.66 130.77 3gpw s GLN 152 Ca 0.00 -0.68 0.22 0.00 -1.95 0.00 0.00 55.36 52.96 3gpw s GLN 152 Cb -0.15 -2.41 1.16 0.00 -0.22 0.00 0.00 33.01 31.39 3gpw s GLN 152 CO 0.01 0.62 1.65 -1.35 -0.25 0.00 0.00 175.29 175.97 3gpw h PRO 153 N 5.37 0.00 0.00 2.91 0.11 -1.83 0.82 132.00 139.38 3gpw h PRO 153 Ca -0.46 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.63 3gpw h PRO 153 Cb 1.16 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.26 3gpw h PRO 153 CO 0.51 0.00 -0.10 0.66 -0.21 0.00 0.00 178.00 178.86 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 0.07 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.39 3gpw h SER 154 Cb 1.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.32 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 -0.74 0.78 3.66 -0.77 0.00 0.28 -4.64 105.19 103.77 3gpw n GLY 155 Ca -0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.58 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 -1.47 6.96 -0.09 1.61 0.01 -1.11 -4.46 114.94 116.38 3gpw s ASN 156 Ca 0.00 1.18 0.03 0.00 -0.71 0.00 0.00 52.86 53.37 3gpw s ASN 156 Cb 0.00 -2.47 0.00 0.00 0.41 0.00 0.00 41.25 39.20 3gpw s ASN 156 CO 0.00 -0.47 -0.20 -0.69 -1.51 0.00 0.00 177.10 174.23 3gpw s VAL 157 N 2.46 1.74 0.03 1.60 1.01 -1.26 -0.76 120.40 125.22 3gpw s VAL 157 Ca 0.39 -0.83 0.05 0.00 0.00 0.00 0.00 61.98 61.58 3gpw s VAL 157 Cb -0.16 -1.53 -0.02 0.00 0.00 0.00 0.00 36.38 34.67 3gpw s VAL 157 CO 0.10 0.49 -0.15 -0.89 0.00 0.00 0.00 175.10 174.66 3gpw s THR 158 N 0.47 1.16 -0.12 3.92 2.01 -0.30 -4.93 115.64 117.85 3gpw s THR 158 Ca -0.17 -0.96 -0.14 0.00 0.31 0.00 0.00 61.69 60.73 3gpw s THR 158 Cb -0.17 -1.04 -0.05 0.00 0.01 0.00 0.00 72.50 71.25 3gpw s THR 158 CO 0.07 0.07 0.34 -0.70 -0.69 0.00 0.00 174.62 173.71 3gpw s GLU 159 N -1.02 4.14 0.29 4.92 2.12 -1.26 -0.33 118.70 127.55 3gpw s GLU 159 Ca 0.03 0.21 0.04 0.00 0.36 0.00 0.00 54.97 55.60 3gpw s GLU 159 Cb -0.08 -3.37 -0.03 0.00 0.26 0.00 0.00 34.13 30.91 3gpw s GLU 159 CO 0.01 0.36 0.22 -0.51 -0.54 0.00 0.00 175.26 174.80 3gpw s LEU 160 N 0.06 1.55 -0.03 2.70 1.43 -0.56 -5.00 118.68 118.83 3gpw s LEU 160 Ca 0.20 -1.62 0.13 0.00 -1.03 0.00 0.00 54.13 51.81 3gpw s LEU 160 Cb -0.14 0.46 -0.22 0.00 0.03 0.00 0.00 46.19 46.32 3gpw s LEU 160 CO 0.07 -0.97 0.69 1.88 0.23 0.00 0.00 176.35 178.25 3gpw h TYR 161 N 2.30 0.00 -1.94 0.29 0.05 -1.93 -3.35 116.97 112.39 3gpw h TYR 161 Ca -0.30 0.00 0.20 0.00 0.05 0.00 0.00 58.73 58.69 3gpw h TYR 161 Cb 1.24 0.00 -0.14 0.00 1.01 0.00 0.00 36.73 38.84 3gpw h TYR 161 CO 1.19 0.96 0.63 0.20 -1.05 0.00 0.00 178.16 180.09 3gpw s GLY 162 N -5.07 -0.36 0.00 3.88 0.00 -1.26 -0.73 107.32 103.79 3gpw s GLY 162 Ca -0.04 0.88 0.00 0.00 0.00 0.00 0.00 44.72 45.56 3gpw s GLY 162 CO 0.82 0.26 0.00 -0.37 0.00 0.00 0.00 173.10 173.82 3gpw n THR 163 N -0.31 0.00 -3.71 0.90 5.66 0.11 -4.96 114.28 111.97 3gpw n THR 163 Ca -0.06 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 -0.95 0.04 1.79 0.00 -1.26 -0.37 121.76 119.00 3gpw s ALA 164 Ca 0.00 0.43 -0.00 0.00 0.00 0.00 0.00 51.96 52.39 3gpw s ALA 164 Cb 0.00 0.14 -0.03 0.00 0.00 0.00 0.00 23.12 23.23 3gpw s ALA 164 CO 0.00 -0.32 -0.04 0.96 0.00 0.00 0.00 175.76 176.36 3gpw s ILE 165 N -1.62 0.22 0.00 0.00 -4.36 -0.72 -4.85 121.20 109.85 3gpw s ILE 165 Ca -0.11 -1.30 0.00 0.00 -0.26 0.00 0.00 60.65 58.98 3gpw s ILE 165 Cb -0.03 -0.81 0.00 0.00 1.25 0.00 0.00 42.46 42.86 3gpw s ILE 165 CO 0.03 -0.69 0.00 0.61 0.24 0.00 0.00 174.94 175.13 3gpw n GLY 166 N 0.97 -0.49 3.72 6.27 0.00 -1.26 -1.65 105.19 112.74 3gpw n GLY 166 Ca -0.20 -2.22 -0.42 0.00 0.00 0.00 0.00 46.02 43.19 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 -1.99 3.72 -1.06 4.61 0.00 0.14 -2.27 121.76 124.91 3gpw s ALA 167 Ca 0.00 1.29 0.00 0.00 0.00 0.00 0.00 51.96 53.25 3gpw s ALA 167 Cb 0.00 -3.59 0.00 0.00 0.00 0.00 0.00 23.12 19.53 3gpw s ALA 167 CO 0.00 -0.73 0.00 0.54 0.00 0.00 0.00 175.76 175.57 3gpw n ARG 168 N 3.98 -1.35 -0.08 0.00 1.74 -1.26 -4.20 116.66 115.50 3gpw n ARG 168 Ca 0.13 0.81 0.19 0.00 -0.77 0.00 0.00 57.85 58.21 3gpw n ARG 168 Cb 0.40 -5.02 0.62 0.00 -1.02 0.00 0.00 32.46 27.44 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 0.15 -0.54 0.55 4.64 -1.76 -1.94 113.55 114.65 3gpw h SER 169 Ca -0.20 0.01 0.16 0.00 -0.47 0.00 0.00 61.79 61.28 3gpw h SER 169 Cb 0.98 -0.02 -0.02 0.00 -0.31 0.00 0.00 62.40 63.02 3gpw h SER 169 CO 0.30 0.08 0.43 -0.61 -0.87 0.00 0.00 176.83 176.15 3gpw h GLN 170 N 0.16 0.00 0.67 4.77 5.75 -1.88 -1.72 115.11 122.86 3gpw h GLN 170 Ca 0.31 0.00 -0.03 0.00 -0.15 0.00 0.00 58.65 58.78 3gpw h GLN 170 Cb 1.00 0.00 0.01 0.00 1.07 0.00 0.00 27.48 29.56 3gpw h GLN 170 CO -0.05 0.00 -0.32 0.78 -2.65 0.00 0.00 178.83 176.59 3gpw h GLY 171 N 0.00 -0.95 0.61 2.39 0.00 -1.53 -2.34 103.07 101.26 3gpw h GLY 171 Ca 0.26 0.35 0.10 0.00 0.00 0.00 0.00 47.33 48.03 3gpw h GLY 171 CO -0.00 -0.34 0.63 0.00 0.00 0.00 0.00 176.54 176.82 3gpw h ALA 172 N -1.56 1.50 -0.93 3.60 0.00 -1.50 -2.22 119.26 118.15 3gpw h ALA 172 Ca -0.09 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.81 3gpw h ALA 172 Cb 0.69 -0.25 -0.05 0.00 0.00 0.00 0.00 17.79 18.19 3gpw h ALA 172 CO 0.15 0.30 0.57 -0.22 0.00 0.00 0.00 179.25 180.05 3gpw h LYS 173 N 1.04 1.26 -0.34 0.00 3.64 -1.27 0.11 116.57 121.02 3gpw h LYS 173 Ca 0.46 -0.11 -0.16 0.00 -1.27 0.00 0.00 60.65 59.56 3gpw h LYS 173 Cb 0.36 -0.27 -0.00 0.00 -0.41 0.00 0.00 32.23 31.91 3gpw h LYS 173 CO -0.21 0.88 -0.43 1.15 -2.27 0.00 0.00 179.45 178.57 3gpw h THR 174 N 1.28 1.28 -0.32 1.00 2.02 -0.86 -1.18 112.91 116.12 3gpw h THR 174 Ca 0.33 -1.60 0.04 0.00 0.77 0.00 0.00 66.41 65.96 3gpw h THR 174 Cb -0.06 1.50 -0.04 0.00 -1.74 0.00 0.00 68.15 67.80 3gpw h THR 174 CO -0.06 0.53 0.08 0.22 0.37 0.00 0.00 175.52 176.65 3gpw h TYR 175 N 0.69 0.13 -0.45 3.16 3.20 -0.88 -1.77 116.97 121.05 3gpw h TYR 175 Ca 0.04 0.02 -0.07 0.00 3.14 0.00 0.00 58.73 61.86 3gpw h TYR 175 Cb 1.03 -0.01 -0.02 0.00 1.54 0.00 0.00 36.73 39.27 3gpw h TYR 175 CO 0.07 0.04 0.02 -0.07 -1.64 0.00 0.00 178.16 176.57 3gpw h LEU 176 N 0.20 0.77 -1.06 2.82 3.38 -0.91 0.28 115.31 120.79 3gpw h LEU 176 Ca 0.15 -0.30 0.00 0.00 0.09 0.00 0.00 57.88 57.82 3gpw h LEU 176 Cb 0.16 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.70 3gpw h LEU 176 CO -0.19 0.88 0.00 1.21 0.09 0.00 0.00 178.44 180.43 3gpw n GLU 177 N -4.40 0.11 -0.11 1.13 2.13 -0.46 -0.25 120.64 118.80 3gpw n GLU 177 Ca 0.00 0.58 -0.20 0.00 0.66 0.00 0.00 57.16 58.21 3gpw n GLU 177 Cb 0.29 -1.85 -0.07 0.00 0.27 0.00 0.00 31.44 30.08 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 -2.09 0.56 0.00 5.31 0.00 -0.71 -4.39 116.66 115.34 3gpw n ARG 178 Ca -0.01 0.29 0.06 0.00 -0.00 0.00 0.00 57.85 58.20 3gpw n ARG 178 Cb 0.05 -1.51 0.30 0.00 0.00 0.00 0.00 32.46 31.30 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 -4.37 0.60 0.00 5.15 -1.04 0.93 -4.37 114.28 111.18 3gpw n THR 179 Ca -0.35 0.15 0.00 0.00 -2.04 0.00 0.00 64.05 61.82 3gpw n THR 179 Cb 0.69 -0.96 0.00 0.00 -1.82 0.00 0.00 70.33 68.24 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 -0.00 -4.42 7.94 0.66 -0.15 117.00 119.78 3gpw n LEU 180 Ca 0.06 0.62 0.21 0.00 -1.11 0.00 0.00 56.01 55.79 3gpw n LEU 180 Cb 0.09 -0.22 0.53 0.00 0.53 0.00 0.00 43.42 44.34 3gpw n LEU 180 CO 0.09 -0.22 1.19 0.44 -1.11 0.00 0.00 177.39 177.78 3gpw h ASP 18 N 0.00 0.00 0.00 1.96 3.45 -1.88 -2.36 116.42 117.58 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 -0.00 0.74 -1.57 0.00 0.00 179.24 178.41 3gpw h THR 18 N 0.00 0.00 0.00 0.35 2.02 -0.86 -3.40 112.91 111.02 3gpw h THR 18 Ca 0.30 -0.47 -0.06 0.00 0.77 0.00 0.00 66.41 66.94 3gpw h THR 18 Cb 2.01 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 68.41 3gpw h THR 18 CO -0.00 0.00 -0.30 2.19 0.37 0.00 0.00 175.52 177.78 3gpw h PHE 18 N -0.47 0.00 0.00 3.16 -5.15 -1.15 -2.82 116.94 110.50 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 0.00 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.17 3gpw h PHE 18 CO 0.00 0.30 0.00 1.51 -2.00 0.00 0.00 178.31 178.12 3gpw n ILE 18 N -4.04 1.42 0.08 0.88 3.06 -0.92 -0.72 119.36 119.12 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 0.36 -1.64 0.12 0.00 0.54 0.00 0.00 39.64 39.02 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 -1.95 2.03 -1.41 9.51 5.02 -1.06 -3.95 118.16 126.34 3gpw n LYS 18 Ca -0.01 -1.77 -0.39 0.00 -2.02 0.00 0.00 58.31 54.12 3gpw n LYS 18 Cb 0.02 -1.27 -0.02 0.00 -0.02 0.00 0.00 35.03 33.74 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 0.65 3.27 -3.40 -0.18 2.08 0.10 -4.91 119.36 116.98 3gpw n ILE 18 Ca 0.11 -2.48 -0.38 0.00 0.56 0.00 0.00 62.75 60.56 3gpw n ILE 18 Cb 0.39 -2.51 -0.06 0.00 -0.75 0.00 0.00 39.64 36.71 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 3.28 6.75 -0.28 4.38 1.01 -1.26 -4.15 116.67 126.41 3gpw s ASP 183 Ca 0.54 0.89 0.00 0.00 0.71 0.00 0.00 52.55 54.69 3gpw s ASP 183 Cb 0.15 -2.27 0.00 0.00 1.01 0.00 0.00 42.92 41.80 3gpw s ASP 183 CO -0.04 0.16 0.00 0.61 0.21 0.00 0.00 175.17 176.11 3gpw n GLY 184 N 2.59 0.59 2.49 0.21 0.00 -1.26 -4.97 105.19 104.84 3gpw n GLY 184 Ca -0.10 -0.54 -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 0.72 -1.39 -0.15 1.61 4.05 -1.26 -5.02 115.26 113.82 3gpw n ASN 185 Ca -0.03 -2.58 -0.04 0.00 0.45 0.00 0.00 54.58 52.38 3gpw n ASN 185 Cb 0.12 0.19 0.02 0.00 1.23 0.00 0.00 39.78 41.34 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 5.29 -0.10 -0.96 1.20 0.13 -1.93 -1.77 132.00 133.85 3gpw h PRO 186 Ca 0.18 0.01 0.21 0.00 -0.87 0.00 0.00 66.00 65.53 3gpw h PRO 186 Cb 0.97 0.02 -0.11 0.00 0.13 0.00 0.00 31.00 32.01 3gpw h PRO 186 CO 0.27 -0.07 0.54 -0.44 -0.23 0.00 0.00 178.00 178.07 3gpw h ASP 187 N -0.11 0.62 -0.50 1.44 3.32 -1.98 0.19 116.42 119.41 3gpw h ASP 187 Ca 0.23 0.12 -0.11 0.00 0.02 0.00 0.00 57.03 57.29 3gpw h ASP 187 Cb 0.46 0.03 -0.02 0.00 0.22 0.00 0.00 39.33 40.02 3gpw h ASP 187 CO -0.56 0.15 -0.13 -0.33 -1.72 0.00 0.00 179.24 176.65 3gpw h GLU 188 N 0.61 0.98 -0.36 3.56 4.39 -1.73 -1.30 114.58 120.73 3gpw h GLU 188 Ca 0.58 -0.38 -0.03 0.00 0.34 0.00 0.00 59.36 59.87 3gpw h GLU 188 Cb 1.01 -0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 29.59 3gpw h GLU 188 CO -0.44 1.05 0.10 1.25 -1.16 0.00 0.00 179.01 179.82 3gpw h LEU 189 N 0.84 0.53 -0.47 1.33 6.46 -0.48 -1.87 115.31 121.65 3gpw h LEU 189 Ca 0.13 -0.21 -0.00 0.00 -0.12 0.00 0.00 57.88 57.67 3gpw h LEU 189 Cb 0.70 -0.14 -0.02 0.00 -0.73 0.00 0.00 40.66 40.47 3gpw h LEU 189 CO 0.05 0.60 0.29 0.40 -0.62 0.00 0.00 178.44 179.17 3gpw h ILE 190 N 0.43 1.14 -0.78 4.05 2.04 -0.65 -0.85 117.51 122.89 3gpw h ILE 190 Ca 0.11 -0.31 0.03 0.00 1.00 0.00 0.00 64.86 65.69 3gpw h ILE 190 Cb 0.27 0.50 -0.05 0.00 -0.74 0.00 0.00 36.82 36.80 3gpw h ILE 190 CO -0.00 0.14 0.50 0.11 0.00 0.00 0.00 178.15 178.90 3gpw h LYS 191 N 0.63 0.95 -0.12 2.37 1.57 -1.12 0.63 116.57 121.48 3gpw h LYS 191 Ca 0.17 -0.06 -0.03 0.00 -1.87 0.00 0.00 60.65 58.87 3gpw h LYS 191 Cb -0.02 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 32.07 3gpw h LYS 191 CO -0.03 0.63 -0.05 0.00 -0.57 0.00 0.00 179.45 179.43 3gpw h ALA 192 N 1.32 1.71 -0.21 3.86 0.00 -0.79 -0.10 119.26 125.05 3gpw h ALA 192 Ca 0.30 -0.12 -0.12 0.00 0.00 0.00 0.00 54.91 54.98 3gpw h ALA 192 Cb -0.02 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.71 3gpw h ALA 192 CO -0.10 0.22 -0.33 0.78 0.00 0.00 0.00 179.25 179.82 3gpw h GLY 193 N 0.48 0.65 1.85 0.00 0.00 0.46 -2.43 103.07 104.08 3gpw h GLY 193 Ca 0.04 -0.73 -0.07 0.00 0.00 0.00 0.00 47.33 46.56 3gpw h GLY 193 CO 0.01 0.66 -0.28 -2.08 0.00 0.00 0.00 176.54 174.85 3gpw h VAL 194 N 0.28 1.24 0.00 4.60 2.07 -0.31 -1.36 116.25 122.76 3gpw h VAL 194 Ca 0.02 -1.13 -0.10 0.00 0.82 0.00 0.00 66.70 66.31 3gpw h VAL 194 Cb 0.91 1.48 -0.01 0.00 -1.52 0.00 0.00 31.29 32.14 3gpw h VAL 194 CO 0.08 0.34 -0.49 -0.08 0.02 0.00 0.00 177.57 177.43 3gpw h GLU 195 N 0.16 0.00 0.23 1.57 4.81 -0.96 -1.50 114.58 118.89 3gpw h GLU 195 Ca 0.02 0.00 -0.33 0.00 -0.13 0.00 0.00 59.36 58.92 3gpw h GLU 195 Cb 0.58 0.00 0.04 0.00 0.63 0.00 0.00 28.75 30.00 3gpw h GLU 195 CO 0.04 0.49 -1.44 0.00 -0.73 0.00 0.00 179.01 177.36 3gpw h ALA 196 N 1.51 -0.14 -0.21 2.92 0.00 -0.99 -3.30 119.26 119.05 3gpw h ALA 196 Ca -0.00 -0.84 -0.12 0.00 0.00 0.00 0.00 54.91 53.94 3gpw h ALA 196 Cb 1.00 0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.95 3gpw h ALA 196 CO 0.06 0.69 -0.39 0.97 0.00 0.00 0.00 179.25 180.58 3gpw h ILE 197 N 0.17 1.30 0.00 0.00 2.10 -1.14 -2.21 117.51 117.74 3gpw h ILE 197 Ca -0.25 -1.54 0.00 0.00 1.08 0.00 0.00 64.86 64.15 3gpw h ILE 197 Cb 2.13 1.57 0.00 0.00 -1.09 0.00 0.00 36.82 39.43 3gpw h ILE 197 CO 0.27 0.48 0.00 -1.54 -1.08 0.00 0.00 178.15 176.28 3gpw n SER 198 N -4.03 0.00 -0.05 2.19 3.41 -0.58 -1.49 113.62 113.07 3gpw n SER 198 Ca -0.02 0.34 0.16 0.00 -0.26 0.00 0.00 58.87 59.09 3gpw n SER 198 Cb 0.50 -0.42 0.91 0.00 -0.26 0.00 0.00 64.21 64.94 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 -1.42 1.06 0.00 4.33 -0.06 -0.83 -2.84 117.38 117.62 3gpw n GLN 199 Ca 0.05 -0.09 0.00 0.00 -2.00 0.00 0.00 57.00 54.96 3gpw n GLN 199 Cb 0.15 -1.50 0.00 0.00 -4.06 0.00 0.00 30.24 24.83 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 -0.89 1.58 -4.06 1.69 7.64 -0.56 -3.85 113.62 115.18 3gpw n SER 200 Ca 0.23 -1.75 -0.30 0.00 1.01 0.00 0.00 58.87 58.06 3gpw n SER 200 Cb 0.14 0.00 0.20 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 -0.75 2.07 0.00 -3.43 1.43 -1.13 -4.80 118.68 112.07 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 -2.36 0.00 0.00 0.03 0.00 0.00 46.19 43.86 3gpw s LEU 201 CO 0.00 -3.15 0.00 -1.14 0.23 0.00 0.00 176.35 172.29 3gpw n ARG 202 N -4.07 0.00 0.00 1.70 0.63 -1.26 -5.01 116.66 108.65 3gpw n ARG 202 Ca 0.14 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.07 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 0.74 0.00 0.00 0.52 0.00 0.00 54.79 56.05 3gpw n ASP 203 Cb 0.00 -0.25 0.00 0.00 -0.72 0.00 0.00 41.12 40.15 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 -1.26 3.65 -4.28 -0.67 0.28 -1.26 -5.16 120.64 111.94 3gpw n GLU 204 Ca 0.00 0.00 -0.17 0.00 -0.16 0.00 0.00 57.16 56.83 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 1.03 -0.02 -1.84 0.15 -1.26 -4.92 113.70 107.84 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 -0.08 -0.10 0.00 -1.71 0.00 0.00 66.02 64.13 3gpw s SER 206 CO 0.00 0.04 1.95 0.00 1.20 0.00 0.00 173.24 176.43 3gpw n LEU 207 N 2.53 3.87 0.00 3.45 -0.00 -1.26 -4.98 117.00 120.61 3gpw n LEU 207 Ca -0.15 0.92 -0.12 0.00 -0.00 0.00 0.00 56.01 56.66 3gpw n LEU 207 Cb 0.56 -1.46 0.02 0.00 -0.00 0.00 0.00 43.42 42.54 3gpw n LEU 207 CO 0.24 0.09 0.12 0.35 -0.00 0.00 0.00 177.39 178.19 3gpw n THR 2 N 5.45 0.00 -0.07 1.47 -2.24 -1.26 -4.92 114.28 112.71 3gpw n THR 2 Ca 0.21 -1.05 -0.13 0.00 -2.27 0.00 0.00 64.05 60.81 3gpw n THR 2 Cb 0.36 -0.53 -0.06 0.00 -2.10 0.00 0.00 70.33 68.00 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 0.29 1.33 -0.42 2.28 3.04 -1.93 -1.60 116.25 119.25 3gpw h VAL 2 Ca -0.16 -1.36 0.00 0.00 -1.01 0.00 0.00 66.70 64.17 3gpw h VAL 2 Cb 0.65 1.80 0.00 0.00 -2.01 0.00 0.00 31.29 31.72 3gpw h VAL 2 CO 0.24 0.41 0.00 -0.90 -1.01 0.00 0.00 177.57 176.31 3gpw n ASP 2 N -4.46 2.28 -0.04 3.17 5.68 -1.26 -2.70 116.55 119.22 3gpw n ASP 2 Ca -0.05 -2.02 -0.03 0.00 -0.50 0.00 0.00 54.79 52.19 3gpw n ASP 2 Cb 0.40 -0.29 -0.08 0.00 -1.14 0.00 0.00 41.12 40.01 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 0.72 2.58 -4.84 -1.12 5.15 -1.14 -4.65 115.26 111.95 3gpw n ASN 2 Ca 0.14 0.00 -0.37 0.00 -0.60 0.00 0.00 54.58 53.75 3gpw n ASN 2 Cb 0.37 0.89 -0.06 0.00 -0.53 0.00 0.00 39.78 40.45 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 -4.53 4.43 -0.05 1.20 2.96 -0.61 -1.64 118.68 120.45 3gpw s LEU 210 Ca -0.05 0.96 -0.00 0.00 -0.22 0.00 0.00 54.13 54.82 3gpw s LEU 210 Cb 0.04 -2.78 0.03 0.00 0.50 0.00 0.00 46.19 43.98 3gpw s LEU 210 CO 0.41 0.26 -0.00 -0.55 -1.32 0.00 0.00 176.35 175.15 3gpw s SER 211 N -1.31 0.93 0.04 3.68 0.15 -0.97 -4.04 113.70 112.18 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 -0.32 -0.02 0.00 -1.71 0.00 0.00 66.02 63.81 3gpw s SER 211 CO 0.16 -0.13 -0.12 -0.63 1.20 0.00 0.00 173.24 173.71 3gpw s ILE 212 N 1.39 0.93 -0.01 6.45 1.01 -0.42 -0.47 121.20 130.08 3gpw s ILE 212 Ca -0.04 -1.02 -0.02 0.00 0.00 0.00 0.00 60.65 59.56 3gpw s ILE 212 Cb -0.13 -0.88 -0.00 0.00 0.01 0.00 0.00 42.46 41.46 3gpw s ILE 212 CO -0.02 -0.12 0.05 0.00 0.00 0.00 0.00 174.94 174.84 3gpw s ALA 213 N -1.00 -0.10 0.04 9.38 0.00 0.45 0.11 121.76 130.62 3gpw s ALA 213 Ca -0.02 -0.06 -0.01 0.00 0.00 0.00 0.00 51.96 51.87 3gpw s ALA 213 Cb -0.08 -0.01 -0.03 0.00 0.00 0.00 0.00 23.12 23.00 3gpw s ALA 213 CO 0.01 -0.08 -0.01 -1.50 0.00 0.00 0.00 175.76 174.18 3gpw s ILE 214 N -0.52 0.16 -0.01 0.00 2.07 -0.77 -0.34 121.20 121.78 3gpw s ILE 214 Ca -0.06 -1.33 -0.18 0.00 -1.41 0.00 0.00 60.65 57.68 3gpw s ILE 214 Cb -0.04 -0.90 0.03 0.00 0.13 0.00 0.00 42.46 41.69 3gpw s ILE 214 CO 0.00 -0.73 0.38 0.54 -1.91 0.00 0.00 174.94 173.21 3gpw s VAL 215 N -2.69 0.05 0.00 4.00 0.11 -0.89 -1.56 120.40 119.42 3gpw s VAL 215 Ca -0.04 -0.42 0.00 0.00 -2.93 0.00 0.00 61.98 58.59 3gpw s VAL 215 Cb -0.01 -0.73 0.00 0.00 -1.53 0.00 0.00 36.38 34.11 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 1.09 -0.58 0.00 6.54 0.00 -0.21 -1.34 105.19 110.69 3gpw n GLY 216 Ca -0.21 -1.12 0.00 0.00 0.00 0.00 0.00 46.02 44.69 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 -0.47 0.00 -2.23 1.61 4.81 -0.76 0.12 118.16 121.25 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 0.02 0.00 0.02 0.00 0.00 35.03 35.07 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 -1.93 4.17 -3.64 3.14 10.43 -1.26 -4.98 116.55 122.49 3gpw n ASP 218 Ca 0.00 -3.38 -0.28 0.00 2.57 0.00 0.00 54.79 53.70 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 -4.47 0.25 0.31 -3.53 2.01 0.34 -5.12 115.64 105.42 3gpw s THR 219 Ca 0.46 -0.73 -0.29 0.00 0.31 0.00 0.00 61.69 61.44 3gpw s THR 219 Cb 0.39 -1.05 -0.10 0.00 0.01 0.00 0.00 72.50 71.75 3gpw s THR 219 CO 0.01 -0.51 1.30 -2.16 -0.69 0.00 0.00 174.62 172.57 3gpw s PRO 220 N 1.95 4.37 -0.43 4.92 0.04 -1.26 -1.05 135.00 143.55 3gpw s PRO 220 Ca 0.06 2.18 -0.43 0.00 0.04 0.00 0.00 61.00 62.85 3gpw s PRO 220 Cb -0.16 -3.09 -0.17 0.00 0.04 0.00 0.00 34.50 31.11 3gpw s PRO 220 CO -0.22 -0.18 1.87 0.34 0.04 0.00 0.00 177.00 178.84 3gpw n PHE 221 N 1.11 1.64 -4.15 0.56 -0.00 -0.17 -4.74 117.46 111.70 3gpw n PHE 221 Ca 0.01 0.77 -0.16 0.00 -0.00 0.00 0.00 57.45 58.07 3gpw n PHE 221 Cb 0.42 -2.34 -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 4.58 0.79 -0.13 -2.13 -4.23 -0.60 -4.93 115.64 108.99 3gpw s THR 222 Ca 1.08 -1.05 -0.02 0.00 -1.18 0.00 0.00 61.69 60.53 3gpw s THR 222 Cb -1.31 -0.79 -0.03 0.00 1.34 0.00 0.00 72.50 71.72 3gpw s THR 222 CO 0.69 -0.22 -0.06 -0.63 -0.54 0.00 0.00 174.62 173.86 3gpw s ILE 223 N -1.14 3.68 -0.15 2.99 1.01 -1.26 -1.86 121.20 124.47 3gpw s ILE 223 Ca -0.05 -0.45 -0.01 0.00 0.00 0.00 0.00 60.65 60.15 3gpw s ILE 223 Cb -0.09 -2.58 -0.01 0.00 0.01 0.00 0.00 42.46 39.80 3gpw s ILE 223 CO 0.01 0.52 -0.12 -0.31 0.00 0.00 0.00 174.94 175.04 3gpw s TYR 224 N 0.11 2.83 0.02 3.97 2.02 0.29 -4.99 117.35 121.61 3gpw s TYR 224 Ca -0.02 -0.82 0.01 0.00 -0.37 0.00 0.00 57.07 55.87 3gpw s TYR 224 Cb -0.14 -1.90 -0.02 0.00 -0.40 0.00 0.00 41.96 39.51 3gpw s TYR 224 CO 0.03 -0.35 -0.05 -0.51 -1.57 0.00 0.00 175.55 173.11 3gpw s ASP 225 N 0.67 0.54 0.73 2.29 1.01 -1.26 -1.30 116.67 119.35 3gpw s ASP 225 Ca -0.06 -0.40 0.00 0.00 0.71 0.00 0.00 52.55 52.80 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 0.02 -0.16 0.00 0.61 0.21 0.00 0.00 175.17 175.85 3gpw n GLY 226 N 1.94 2.13 0.22 0.21 0.00 -1.10 -3.39 105.19 105.20 3gpw n GLY 226 Ca -0.20 -0.54 0.13 0.00 0.00 0.00 0.00 46.02 45.41 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 12.10 -0.05 0.31 1.61 4.71 -1.26 0.22 120.64 138.28 3gpw n GLU 227 Ca 0.00 0.96 0.19 0.00 -0.01 0.00 0.00 57.16 58.30 3gpw n GLU 227 Cb 0.00 -1.57 1.06 0.00 -1.01 0.00 0.00 31.44 29.92 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 1.30 1.27 -0.02 0.62 0.00 -1.94 -0.79 119.26 119.71 3gpw h ALA 228 Ca 0.44 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.35 3gpw h ALA 228 Cb 0.99 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.78 3gpw h ALA 228 CO -0.58 -0.05 -0.10 1.33 0.00 0.00 0.00 179.25 179.84 3gpw n VAL 229 N -3.38 0.00 -0.31 0.00 0.24 0.59 -4.54 118.33 110.92 3gpw n VAL 229 Ca -0.02 -0.45 0.06 0.00 -2.04 0.00 0.00 64.34 61.89 3gpw n VAL 229 Cb 0.12 1.33 0.22 0.00 -1.47 0.00 0.00 33.84 34.04 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 3.44 1.32 0.00 2.33 0.00 -0.85 -0.91 119.26 124.59 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 0.72 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.42 3gpw h ALA 230 CO 0.00 0.03 0.00 0.36 0.00 0.00 0.00 179.25 179.64 3gpw n LYS 231 N -4.78 0.50 0.00 0.00 0.00 -1.26 -2.28 118.16 110.33 3gpw n LYS 231 Ca 0.17 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.48 3gpw n LYS 231 Cb 0.38 -1.04 0.00 0.00 -0.00 0.00 0.00 35.03 34.37 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 -0.38 0.00 1.82 5.58 4.02 -0.35 -5.12 117.16 122.73 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 0.80 0.00 -0.02 0.00 0.00 39.34 40.14 3gpw n TYR 232 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 176.86 174.96