#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gft s THR 2 N 0.00 5.34 -0.10 3.17 2.01 -1.26 -4.99 115.64 119.81 3gft s THR 2 Ca 0.00 0.33 -0.02 0.00 0.31 0.00 0.00 61.69 62.31 3gft s THR 2 Cb 0.00 -3.55 -0.03 0.00 0.01 0.00 0.00 72.50 68.93 3gft s THR 2 CO 0.00 0.36 -0.02 -0.70 -0.69 0.00 0.00 174.62 173.57 3gft s GLU 3 N 0.81 3.12 -0.09 4.92 2.12 -1.26 0.59 118.70 128.90 3gft s GLU 3 Ca 0.11 -0.46 0.04 0.00 0.36 0.00 0.00 54.97 55.01 3gft s GLU 3 Cb -0.13 -2.79 0.00 0.00 0.26 0.00 0.00 34.13 31.47 3gft s GLU 3 CO 0.03 0.58 -0.21 0.71 -0.54 0.00 0.00 175.26 175.82 3gft s TYR 4 N -0.55 2.33 -0.49 5.30 2.02 -0.36 -4.94 117.35 120.66 3gft s TYR 4 Ca 0.09 -0.95 -0.18 0.00 -0.37 0.00 0.00 57.07 55.66 3gft s TYR 4 Cb -0.12 -1.58 0.06 0.00 -0.40 0.00 0.00 41.96 39.92 3gft s TYR 4 CO 0.02 -0.40 0.55 0.15 -1.57 0.00 0.00 175.55 174.30 3gft s LYS 5 N 0.42 3.07 -0.14 -0.62 1.02 -1.26 -0.62 119.74 121.62 3gft s LYS 5 Ca -0.18 -1.05 -0.05 0.00 0.02 0.00 0.00 55.97 54.72 3gft s LYS 5 Cb -0.17 -4.11 -0.03 0.00 -0.52 0.00 0.00 37.83 32.99 3gft s LYS 5 CO 0.08 -1.16 0.02 -0.51 -0.92 0.00 0.00 175.35 172.86 3gft s LEU 6 N 2.29 3.64 -0.12 3.17 1.43 0.58 -0.42 118.68 129.25 3gft s LEU 6 Ca 0.11 0.08 0.02 0.00 -1.03 0.00 0.00 54.13 53.31 3gft s LEU 6 Cb -0.21 -1.88 -0.00 0.00 0.03 0.00 0.00 46.19 44.13 3gft s LEU 6 CO 0.10 0.25 -0.20 -0.69 0.23 0.00 0.00 176.35 176.05 3gft s VAL 7 N -0.13 2.41 -0.35 -1.59 1.01 0.41 -0.69 120.40 121.47 3gft s VAL 7 Ca 0.05 -0.89 -0.13 0.00 0.00 0.00 0.00 61.98 61.02 3gft s VAL 7 Cb -0.12 -1.97 -0.01 0.00 0.00 0.00 0.00 36.38 34.28 3gft s VAL 7 CO 0.02 0.54 0.25 -0.69 0.00 0.00 0.00 175.10 175.22 3gft s VAL 8 N 0.46 5.28 0.21 2.92 1.01 -0.33 -0.93 120.40 129.02 3gft s VAL 8 Ca -0.14 -0.27 0.11 0.00 0.00 0.00 0.00 61.98 61.68 3gft s VAL 8 Cb -0.17 -3.75 -0.05 0.00 0.00 0.00 0.00 36.38 32.42 3gft s VAL 8 CO 0.06 -0.05 -0.21 0.68 0.00 0.00 0.00 175.10 175.57 3gft s VAL 9 N 1.72 2.26 0.00 2.92 -7.23 -0.08 -3.14 120.40 116.86 3gft s VAL 9 Ca 0.06 -2.13 0.00 0.00 -1.81 0.00 0.00 61.98 58.10 3gft s VAL 9 Cb -0.18 -2.12 0.00 0.00 0.56 0.00 0.00 36.38 34.64 3gft s VAL 9 CO 0.10 -0.26 0.00 0.61 -0.31 0.00 0.00 175.10 175.25 3gft n GLY 10 N -0.01 3.60 3.54 2.32 0.00 -1.26 -0.33 105.19 113.04 3gft n GLY 10 Ca -0.10 -1.40 -0.35 0.00 0.00 0.00 0.00 46.02 44.17 3gft n GLY 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gft n ALA 11 N -1.70 -1.10 -1.69 4.61 0.00 -1.26 -4.03 120.51 115.35 3gft n ALA 11 Ca 0.00 -0.32 -0.44 0.00 0.00 0.00 0.00 53.44 52.67 3gft n ALA 11 Cb 0.00 -1.99 -0.03 0.00 0.00 0.00 0.00 19.45 17.43 3gft n ALA 11 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gft n GLY 12 N 1.24 1.12 2.24 0.00 0.00 -1.26 -2.84 105.19 105.68 3gft n GLY 12 Ca 0.11 0.57 -0.02 0.00 0.00 0.00 0.00 46.02 46.68 3gft n GLY 12 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gft n GLY 13 N 2.92 0.55 0.22 -0.02 0.00 -1.26 -4.92 105.19 102.69 3gft n GLY 13 Ca 0.14 -0.31 0.15 0.00 0.00 0.00 0.00 46.02 46.00 3gft n GLY 13 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 3gft h VAL 14 N 0.00 0.00 0.00 1.61 -1.51 -1.89 -3.47 116.25 110.99 3gft h VAL 14 Ca -0.05 -0.53 0.00 0.00 -1.23 0.00 0.00 66.70 64.89 3gft h VAL 14 Cb 0.32 1.48 0.00 0.00 -2.13 0.00 0.00 31.29 30.96 3gft h VAL 14 CO 0.07 0.00 0.00 0.61 -1.23 0.00 0.00 177.57 177.02 3gft n GLY 15 N 0.32 1.77 0.23 5.19 0.00 -1.26 -4.46 105.19 106.98 3gft n GLY 15 Ca 0.02 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.96 3gft n GLY 15 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3gft h LYS 16 N 0.00 0.75 -0.13 1.61 1.57 -1.91 -0.48 116.57 117.98 3gft h LYS 16 Ca 0.00 -0.14 -0.14 0.00 -1.87 0.00 0.00 60.65 58.50 3gft h LYS 16 Cb 0.00 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.20 3gft h LYS 16 CO 0.00 0.67 -0.46 0.77 -0.57 0.00 0.00 179.45 179.86 3gft h SER 17 N 0.66 0.63 -0.35 0.86 0.02 -1.96 -2.67 113.55 110.73 3gft h SER 17 Ca 0.16 -0.61 0.07 0.00 -0.84 0.00 0.00 61.79 60.57 3gft h SER 17 Cb 0.21 -0.19 -0.06 0.00 0.14 0.00 0.00 62.40 62.50 3gft h SER 17 CO -0.01 1.14 -0.06 0.00 -1.14 0.00 0.00 176.83 176.75 3gft h ALA 18 N 0.51 0.26 -0.46 3.77 0.00 -1.84 0.28 119.26 121.78 3gft h ALA 18 Ca -0.02 0.13 0.05 0.00 0.00 0.00 0.00 54.91 55.06 3gft h ALA 18 Cb 1.09 0.24 -0.04 0.00 0.00 0.00 0.00 17.79 19.08 3gft h ALA 18 CO 0.10 -0.44 0.21 -0.07 0.00 0.00 0.00 179.25 179.04 3gft h LEU 19 N 0.03 0.28 -0.25 0.00 3.38 -1.13 -1.03 115.31 116.58 3gft h LEU 19 Ca 0.17 0.03 -0.15 0.00 0.09 0.00 0.00 57.88 58.02 3gft h LEU 19 Cb 0.26 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.99 3gft h LEU 19 CO -0.34 0.20 -0.44 0.74 0.09 0.00 0.00 178.44 178.68 3gft h THR 20 N 0.42 1.30 -0.33 0.22 2.02 -0.97 -1.39 112.91 114.17 3gft h THR 20 Ca 0.20 -1.64 -0.13 0.00 0.77 0.00 0.00 66.41 65.61 3gft h THR 20 Cb 0.14 1.72 -0.01 0.00 -1.74 0.00 0.00 68.15 68.27 3gft h THR 20 CO -0.17 0.52 -0.29 0.40 0.37 0.00 0.00 175.52 176.36 3gft h ILE 21 N 0.48 1.29 -0.70 3.11 1.08 -0.95 -0.43 117.51 121.39 3gft h ILE 21 Ca 0.02 -1.46 0.08 0.00 -0.39 0.00 0.00 64.86 63.11 3gft h ILE 21 Cb 1.04 1.47 -0.07 0.00 -3.07 0.00 0.00 36.82 36.20 3gft h ILE 21 CO 0.10 0.48 0.36 -0.61 -0.69 0.00 0.00 178.15 177.78 3gft h GLN 22 N 0.57 0.60 -0.25 2.37 5.75 -0.94 0.39 115.11 123.61 3gft h GLN 22 Ca 0.06 -0.04 -0.03 0.00 -0.15 0.00 0.00 58.65 58.49 3gft h GLN 22 Cb 0.87 -0.14 -0.01 0.00 1.07 0.00 0.00 27.48 29.27 3gft h GLN 22 CO 0.07 0.40 0.05 1.25 -2.65 0.00 0.00 178.83 177.96 3gft h LEU 23 N 0.62 0.39 0.09 -2.39 5.85 -0.70 -2.11 115.31 117.06 3gft h LEU 23 Ca 0.34 -0.24 -0.12 0.00 0.84 0.00 0.00 57.88 58.69 3gft h LEU 23 Cb 0.32 -0.10 0.01 0.00 0.37 0.00 0.00 40.66 41.26 3gft h LEU 23 CO -0.25 0.54 -0.52 0.40 -0.34 0.00 0.00 178.44 178.27 3gft h ILE 24 N 0.23 1.61 -0.01 4.05 1.08 -0.73 -3.39 117.51 120.36 3gft h ILE 24 Ca 0.08 -2.44 0.00 0.00 -0.39 0.00 0.00 64.86 62.11 3gft h ILE 24 Cb 0.30 3.23 0.00 0.00 -3.07 0.00 0.00 36.82 37.28 3gft h ILE 24 CO 0.00 0.67 -0.12 0.00 -0.69 0.00 0.00 178.15 178.01 3gft n GLN 25 N -4.30 2.03 -2.41 2.37 6.02 0.14 -4.98 117.38 116.25 3gft n GLN 25 Ca -0.12 -0.54 -0.20 0.00 -0.01 0.00 0.00 57.00 56.12 3gft n GLN 25 Cb 0.70 -0.99 -0.01 0.00 1.02 0.00 0.00 30.24 30.95 3gft n GLN 25 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 3gft n ASN 26 N -0.24 -5.80 -4.20 1.08 4.13 -0.79 -4.97 115.26 104.47 3gft n ASN 26 Ca 0.03 -0.03 -0.30 0.00 1.68 0.00 0.00 54.58 55.96 3gft n ASN 26 Cb 0.14 -4.81 -0.17 0.00 -1.54 0.00 0.00 39.78 33.41 3gft n ASN 26 CO 0.00 0.00 0.00 -2.28 0.28 0.00 0.00 177.26 175.26 3gft s HIS 27 N -3.02 2.26 -0.30 3.10 2.46 -1.24 -4.98 115.29 113.57 3gft s HIS 27 Ca 0.01 -0.80 -0.18 0.00 0.47 0.00 0.00 55.06 54.56 3gft s HIS 27 Cb -0.01 -1.51 -0.02 0.00 -0.13 0.00 0.00 32.58 30.91 3gft s HIS 27 CO 0.02 -0.30 0.50 0.12 -2.47 0.00 0.00 174.74 172.60 3gft s PHE 28 N 0.18 3.23 -0.50 3.88 5.36 -1.26 -2.63 117.98 126.24 3gft s PHE 28 Ca -0.12 0.42 -0.19 0.00 -0.96 0.00 0.00 56.93 56.09 3gft s PHE 28 Cb -0.15 -2.79 0.06 0.00 -0.34 0.00 0.00 43.02 39.79 3gft s PHE 28 CO 0.06 -0.38 0.61 0.14 -1.46 0.00 0.00 175.22 174.18 3gft s VAL 29 N 2.32 4.90 -0.53 3.12 -7.23 -1.26 -4.89 120.40 116.82 3gft s VAL 29 Ca 0.19 -0.50 0.24 0.00 -1.81 0.00 0.00 61.98 60.11 3gft s VAL 29 Cb -0.16 -4.28 0.30 0.00 0.56 0.00 0.00 36.38 32.80 3gft s VAL 29 CO 0.11 -0.77 1.63 -0.78 -0.31 0.00 0.00 175.10 174.97 3gft h ASP 30 N 8.97 0.00 0.00 4.85 3.58 -2.01 -3.46 116.42 128.34 3gft h ASP 30 Ca -0.27 -0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.17 3gft h ASP 30 Cb 1.10 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.15 3gft h ASP 30 CO 0.95 0.00 0.00 1.21 -2.88 0.00 0.00 179.24 178.53 3gft n GLU 31 N -2.79 0.00 0.00 0.28 2.13 -1.26 -5.23 120.64 113.77 3gft n GLU 31 Ca 0.04 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.86 3gft n GLU 31 Cb 0.50 -0.40 0.00 0.00 0.27 0.00 0.00 31.44 31.80 3gft n GLU 31 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 3gft n ASP 38 N -0.07 0.00 -4.24 4.31 8.00 -1.11 -5.09 116.55 118.35 3gft n ASP 38 Ca 0.00 0.00 -0.27 0.00 0.71 0.00 0.00 54.79 55.23 3gft n ASP 38 Cb 0.00 0.00 -0.15 0.00 -0.02 0.00 0.00 41.12 40.95 3gft n ASP 38 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 3gft s SER 39 N 0.00 2.52 0.21 -2.24 1.04 -1.26 -0.70 113.70 113.26 3gft s SER 39 Ca 0.00 -0.42 0.06 0.00 0.48 0.00 0.00 55.95 56.07 3gft s SER 39 Cb 0.00 -0.26 -0.05 0.00 0.10 0.00 0.00 66.02 65.81 3gft s SER 39 CO 0.00 0.24 -0.09 -0.31 0.98 0.00 0.00 173.24 174.06 3gft s TYR 40 N -0.57 1.60 0.03 5.02 1.51 0.33 -4.99 117.35 120.28 3gft s TYR 40 Ca 0.08 -0.71 0.02 0.00 -1.01 0.00 0.00 57.07 55.45 3gft s TYR 40 Cb -0.08 -0.83 -0.02 0.00 -0.11 0.00 0.00 41.96 40.92 3gft s TYR 40 CO -0.00 0.19 -0.07 1.03 -1.11 0.00 0.00 175.55 175.59 3gft s ARG 41 N -3.73 0.48 -0.28 -0.62 0.52 -1.26 -0.87 118.95 113.20 3gft s ARG 41 Ca 0.23 -0.67 -0.19 0.00 -0.52 0.00 0.00 55.73 54.58 3gft s ARG 41 Cb 0.02 -0.25 0.08 0.00 0.52 0.00 0.00 34.95 35.33 3gft s ARG 41 CO 0.06 0.04 0.73 0.21 0.02 0.00 0.00 175.30 176.37 3gft s LYS 42 N -1.40 0.72 -0.17 3.54 2.20 -0.58 -4.99 119.74 119.07 3gft s LYS 42 Ca -0.09 1.09 -0.20 0.00 -0.36 0.00 0.00 55.97 56.41 3gft s LYS 42 Cb -0.09 0.23 -0.03 0.00 -1.51 0.00 0.00 37.83 36.42 3gft s LYS 42 CO 0.00 -0.13 0.56 -1.14 -0.36 0.00 0.00 175.35 174.29 3gft s GLN 43 N 1.16 4.25 0.08 4.03 0.74 -1.26 -0.16 119.66 128.50 3gft s GLN 43 Ca -0.06 0.53 0.02 0.00 0.05 0.00 0.00 55.36 55.90 3gft s GLN 43 Cb -0.05 -3.53 -0.04 0.00 1.10 0.00 0.00 33.01 30.50 3gft s GLN 43 CO -0.12 -0.09 -0.08 0.14 -0.55 0.00 0.00 175.29 174.59 3gft s VAL 44 N 1.42 0.72 -0.24 1.34 -7.23 -0.24 -4.99 120.40 111.18 3gft s VAL 44 Ca 0.27 -1.65 -0.06 0.00 -1.81 0.00 0.00 61.98 58.73 3gft s VAL 44 Cb -0.16 -1.34 -0.02 0.00 0.56 0.00 0.00 36.38 35.42 3gft s VAL 44 CO 0.11 -0.68 0.04 -0.69 -0.31 0.00 0.00 175.10 173.57 3gft s VAL 45 N -2.78 4.07 -0.09 1.32 1.01 -1.26 -0.81 120.40 121.86 3gft s VAL 45 Ca 0.05 -0.25 0.00 0.00 0.00 0.00 0.00 61.98 61.78 3gft s VAL 45 Cb -0.00 -2.89 0.02 0.00 0.00 0.00 0.00 36.38 33.51 3gft s VAL 45 CO -0.02 0.37 -0.08 -0.63 0.00 0.00 0.00 175.10 174.74 3gft s ILE 46 N 1.50 0.97 -1.55 2.22 1.01 -0.83 -4.75 121.20 119.76 3gft s ILE 46 Ca 0.06 -0.30 -0.15 0.00 0.00 0.00 0.00 60.65 60.26 3gft s ILE 46 Cb -0.15 -0.96 0.11 0.00 0.01 0.00 0.00 42.46 41.47 3gft s ILE 46 CO 0.02 0.34 0.84 0.47 0.00 0.00 0.00 174.94 176.61 3gft n ASP 47 N 4.57 -4.21 0.00 3.58 8.00 -1.26 -1.36 116.55 125.87 3gft n ASP 47 Ca -0.16 -0.78 0.00 0.00 0.71 0.00 0.00 54.79 54.56 3gft n ASP 47 Cb 0.51 -3.40 0.00 0.00 -0.02 0.00 0.00 41.12 38.21 3gft n ASP 47 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3gft n GLY 48 N -1.50 0.42 3.33 0.44 0.00 -1.26 -4.98 105.19 101.63 3gft n GLY 48 Ca 0.05 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.71 3gft n GLY 48 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3gft s GLU 49 N -0.46 3.38 0.18 1.61 4.04 -0.47 -5.10 118.70 121.88 3gft s GLU 49 Ca 0.00 -0.63 -0.30 0.00 0.04 0.00 0.00 54.97 54.08 3gft s GLU 49 Cb 0.00 -3.09 -0.08 0.00 0.02 0.00 0.00 34.13 30.98 3gft s GLU 49 CO 0.00 -0.22 1.23 0.99 -1.84 0.00 0.00 175.26 175.42 3gft s THR 50 N 1.50 3.49 0.13 1.83 2.01 -1.26 -1.97 115.64 121.37 3gft s THR 50 Ca 0.05 1.23 -0.11 0.00 0.31 0.00 0.00 61.69 63.18 3gft s THR 50 Cb -0.15 -3.79 0.00 0.00 0.01 0.00 0.00 72.50 68.58 3gft s THR 50 CO -0.02 0.19 0.29 0.00 -0.69 0.00 0.00 174.62 174.39 3gft s LEU 52 N -2.89 3.94 -0.19 0.00 2.96 0.20 -1.08 118.68 121.62 3gft s LEU 52 Ca 0.09 -0.78 -0.21 0.00 -0.22 0.00 0.00 54.13 53.01 3gft s LEU 52 Cb 0.03 -1.88 -0.03 0.00 0.50 0.00 0.00 46.19 44.82 3gft s LEU 52 CO -0.07 -0.22 0.63 -0.76 -1.32 0.00 0.00 176.35 174.61 3gft s LEU 53 N 1.49 4.16 -0.43 -0.68 1.43 0.77 -1.22 118.68 124.18 3gft s LEU 53 Ca 0.02 0.85 -0.10 0.00 -1.03 0.00 0.00 54.13 53.87 3gft s LEU 53 Cb -0.18 -2.89 0.09 0.00 0.03 0.00 0.00 46.19 43.24 3gft s LEU 53 CO 0.03 -0.26 0.29 -1.81 0.23 0.00 0.00 176.35 174.83 3gft s ASP 54 N 1.16 5.70 -0.25 2.29 1.11 0.21 -1.52 116.67 125.37 3gft s ASP 54 Ca 0.29 -1.58 -0.08 0.00 0.18 0.00 0.00 52.55 51.36 3gft s ASP 54 Cb -0.16 -2.01 -0.04 0.00 1.07 0.00 0.00 42.92 41.78 3gft s ASP 54 CO 0.11 -0.58 0.11 -0.63 1.18 0.00 0.00 175.17 175.35 3gft s ILE 55 N 1.43 4.67 -0.28 0.77 1.01 -0.05 -0.31 121.20 128.44 3gft s ILE 55 Ca 0.04 -0.05 -0.11 0.00 0.00 0.00 0.00 60.65 60.52 3gft s ILE 55 Cb -0.24 -3.19 -0.05 0.00 0.01 0.00 0.00 42.46 38.99 3gft s ILE 55 CO 0.02 0.32 0.19 -0.22 0.00 0.00 0.00 174.94 175.25 3gft s LEU 56 N 1.54 4.05 -0.30 2.97 2.96 0.13 -0.51 118.68 129.52 3gft s LEU 56 Ca 0.06 -0.05 -0.14 0.00 -0.22 0.00 0.00 54.13 53.79 3gft s LEU 56 Cb -0.15 -2.12 -0.03 0.00 0.50 0.00 0.00 46.19 44.39 3gft s LEU 56 CO 0.06 -0.07 0.30 -0.62 -1.32 0.00 0.00 176.35 174.70 3gft s ASP 57 N 1.75 6.15 0.44 3.68 2.15 0.12 -1.19 116.67 129.77 3gft s ASP 57 Ca 0.07 -0.00 0.03 0.00 0.43 0.00 0.00 52.55 53.07 3gft s ASP 57 Cb -0.16 -2.17 0.00 0.00 -0.30 0.00 0.00 42.92 40.29 3gft s ASP 57 CO 0.11 -0.19 0.63 0.42 -0.17 0.00 0.00 175.17 175.97 3gft s THR 58 N 1.93 3.69 0.10 1.71 -4.23 -1.19 -2.77 115.64 114.89 3gft s THR 58 Ca 0.11 -0.69 -0.13 0.00 -1.18 0.00 0.00 61.69 59.81 3gft s THR 58 Cb -0.16 -3.34 -0.06 0.00 1.34 0.00 0.00 72.50 70.28 3gft s THR 58 CO 0.11 -0.20 0.47 0.00 -0.54 0.00 0.00 174.62 174.45 3gft s ALA 59 N -2.49 3.66 -0.59 3.99 0.00 -1.26 -4.93 121.76 120.14 3gft s ALA 59 Ca 0.50 -0.24 0.03 0.00 0.00 0.00 0.00 51.96 52.25 3gft s ALA 59 Cb -0.10 -2.40 0.15 0.00 0.00 0.00 0.00 23.12 20.77 3gft s ALA 59 CO 0.36 0.50 0.36 0.20 0.00 0.00 0.00 175.76 177.18 3gft s GLY 60 N -1.63 2.60 0.00 0.00 0.00 -1.26 -4.92 107.32 102.12 3gft s GLY 60 Ca 0.34 -3.44 0.00 0.00 0.00 0.00 0.00 44.72 41.61 3gft s GLY 60 CO 0.18 1.04 0.00 1.03 0.00 0.00 0.00 173.10 175.35 3gft n MET 72 N 2.83 0.00 0.26 2.90 0.00 -1.26 -4.44 117.12 117.41 3gft n MET 72 Ca 0.10 0.00 0.12 0.00 0.00 0.00 0.00 57.70 57.92 3gft n MET 72 Cb 0.34 0.00 0.72 0.00 0.00 0.00 0.00 33.22 34.27 3gft n MET 72 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 175.97 175.88 3gft h ARG 73 N 0.00 0.00 0.00 0.03 2.43 -1.98 -0.55 114.38 114.31 3gft h ARG 73 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 3gft h ARG 73 Cb 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.55 3gft h ARG 73 CO 0.00 0.12 -0.62 1.79 -1.51 0.00 0.00 179.97 179.75 3gft h THR 74 N 0.00 0.00 -2.98 0.20 1.35 -2.01 -3.47 112.91 106.00 3gft h THR 74 Ca -0.00 -0.60 -0.53 0.00 -0.55 0.00 0.00 66.41 64.73 3gft h THR 74 Cb 0.31 1.21 0.05 0.00 -1.73 0.00 0.00 68.15 67.99 3gft h THR 74 CO 0.02 0.00 0.84 -0.83 -0.25 0.00 0.00 175.52 175.30 3gft s GLY 75 N -3.80 1.77 0.03 5.82 0.00 -0.22 -4.86 107.32 106.07 3gft s GLY 75 Ca 0.05 1.36 0.20 0.00 0.00 0.00 0.00 44.72 46.33 3gft s GLY 75 CO 0.72 2.53 0.65 1.18 0.00 0.00 0.00 173.10 178.18 3gft n GLU 76 N 3.53 0.64 -3.69 2.90 1.02 0.44 -4.97 120.64 120.52 3gft n GLU 76 Ca 0.12 0.02 -0.14 0.00 -0.02 0.00 0.00 57.16 57.14 3gft n GLU 76 Cb 0.39 -1.67 -0.09 0.00 -0.02 0.00 0.00 31.44 30.05 3gft n GLU 76 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 3gft s GLY 77 N -4.70 -0.39 -0.05 0.62 0.00 -1.03 -4.30 107.32 97.46 3gft s GLY 77 Ca -0.05 1.41 0.05 0.00 0.00 0.00 0.00 44.72 46.12 3gft s GLY 77 CO 0.84 1.19 -0.20 -1.36 0.00 0.00 0.00 173.10 173.58 3gft s PHE 78 N 0.07 1.98 -0.28 1.90 0.08 -0.49 -0.44 117.98 120.79 3gft s PHE 78 Ca -0.02 -0.62 -0.15 0.00 0.12 0.00 0.00 56.93 56.26 3gft s PHE 78 Cb -0.04 -1.33 -0.03 0.00 -0.57 0.00 0.00 43.02 41.06 3gft s PHE 78 CO 0.02 -0.21 0.39 -0.51 -0.10 0.00 0.00 175.22 174.80 3gft s LEU 79 N 0.06 4.11 -0.39 -0.37 1.43 -0.10 -0.82 118.68 122.60 3gft s LEU 79 Ca -0.06 0.21 -0.12 0.00 -1.03 0.00 0.00 54.13 53.12 3gft s LEU 79 Cb -0.13 -2.44 0.03 0.00 0.03 0.00 0.00 46.19 43.68 3gft s LEU 79 CO 0.03 -0.23 0.24 0.00 0.23 0.00 0.00 176.35 176.62 3gft s VAL 81 N 1.59 3.42 0.44 0.00 1.01 0.55 -0.94 120.40 126.46 3gft s VAL 81 Ca 0.03 -0.51 0.05 0.00 0.00 0.00 0.00 61.98 61.55 3gft s VAL 81 Cb -0.20 -2.50 -0.06 0.00 0.00 0.00 0.00 36.38 33.62 3gft s VAL 81 CO 0.07 0.48 0.01 0.72 0.00 0.00 0.00 175.10 176.38 3gft s PHE 82 N 0.76 2.34 -0.11 5.22 -0.12 -0.08 -4.03 117.98 121.97 3gft s PHE 82 Ca -0.03 -0.75 -0.01 0.00 -0.05 0.00 0.00 56.93 56.10 3gft s PHE 82 Cb -0.15 -1.74 -0.03 0.00 -0.63 0.00 0.00 43.02 40.48 3gft s PHE 82 CO 0.02 0.39 -0.07 0.00 -0.05 0.00 0.00 175.22 175.50 3gft s ALA 83 N -2.75 2.89 -1.23 1.99 0.00 -1.26 -0.18 121.76 121.22 3gft s ALA 83 Ca 0.27 -0.87 0.18 0.00 0.00 0.00 0.00 51.96 51.54 3gft s ALA 83 Cb 0.08 -1.34 0.82 0.00 0.00 0.00 0.00 23.12 22.69 3gft s ALA 83 CO 0.14 0.37 1.54 0.44 0.00 0.00 0.00 175.76 178.25 3gft n ILE 84 N 3.01 0.63 -0.76 0.00 -5.35 -0.41 -1.81 119.36 114.67 3gft n ILE 84 Ca -0.18 0.16 0.08 0.00 -0.27 0.00 0.00 62.75 62.54 3gft n ILE 84 Cb 0.53 -0.86 0.24 0.00 -1.74 0.00 0.00 39.64 37.81 3gft n ILE 84 CO 0.00 0.00 0.00 -0.46 -1.76 0.00 0.00 176.55 174.33 3gft n ASN 85 N -1.38 3.73 -3.47 7.28 6.94 -1.26 -0.60 115.26 126.49 3gft n ASN 85 Ca 0.06 -2.73 -0.27 0.00 -0.02 0.00 0.00 54.58 51.63 3gft n ASN 85 Cb 0.17 -0.47 -0.12 0.00 -2.36 0.00 0.00 39.78 37.00 3gft n ASN 85 CO 0.00 0.00 0.00 0.21 -1.03 0.00 0.00 177.26 176.44 3gft s ASN 86 N -1.61 2.87 0.28 0.53 3.84 -0.75 -4.72 114.94 115.38 3gft s ASN 86 Ca 0.38 -1.80 0.01 0.00 0.21 0.00 0.00 52.86 51.66 3gft s ASN 86 Cb 0.29 -0.23 0.54 0.00 -0.55 0.00 0.00 41.25 41.29 3gft s ASN 86 CO 0.11 -0.34 1.84 0.74 -2.79 0.00 0.00 177.10 176.66 3gft h THR 87 N 5.47 0.94 -0.61 -5.21 2.02 -1.88 -2.42 112.91 111.22 3gft h THR 87 Ca -0.02 -0.35 -0.09 0.00 0.77 0.00 0.00 66.41 66.72 3gft h THR 87 Cb 1.00 -0.16 -0.02 0.00 -1.74 0.00 0.00 68.15 67.22 3gft h THR 87 CO 0.31 0.19 0.02 0.50 0.37 0.00 0.00 175.52 176.91 3gft h LYS 88 N 1.02 1.05 -0.01 6.66 3.64 -1.95 -1.40 116.57 125.58 3gft h LYS 88 Ca 0.49 -0.32 -0.06 0.00 -1.27 0.00 0.00 60.65 59.49 3gft h LYS 88 Cb 0.45 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.16 3gft h LYS 88 CO -0.25 1.01 -0.28 0.66 -2.27 0.00 0.00 179.45 178.32 3gft h SER 89 N 0.97 0.02 0.24 4.20 4.64 -1.77 -0.69 113.55 121.15 3gft h SER 89 Ca 0.18 -0.01 -0.25 0.00 -0.47 0.00 0.00 61.79 61.24 3gft h SER 89 Cb 0.52 -0.01 0.01 0.00 -0.31 0.00 0.00 62.40 62.62 3gft h SER 89 CO 0.03 0.30 -1.03 0.15 -0.87 0.00 0.00 176.83 175.41 3gft h PHE 90 N 0.02 0.78 0.00 4.77 3.57 -1.31 -3.12 116.94 121.65 3gft h PHE 90 Ca 0.00 -0.44 -0.05 0.00 3.53 0.00 0.00 57.97 61.01 3gft h PHE 90 Cb 0.51 -0.08 -0.01 0.00 2.79 0.00 0.00 35.95 39.16 3gft h PHE 90 CO 0.00 1.27 -0.23 0.93 -2.23 0.00 0.00 178.31 178.05 3gft h GLU 91 N 0.27 0.00 0.00 1.11 5.08 -0.45 -2.58 114.58 118.02 3gft h GLU 91 Ca -0.11 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.25 3gft h GLU 91 Cb 1.68 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.93 3gft h GLU 91 CO 0.19 0.23 0.00 -0.44 -1.00 0.00 0.00 179.01 177.99 3gft h ASP 92 N 0.00 0.00 -0.33 1.42 3.32 -1.09 -3.31 116.42 116.43 3gft h ASP 92 Ca -0.00 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.03 3gft h ASP 92 Cb 0.51 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.04 3gft h ASP 92 CO 0.03 0.00 0.14 0.40 -1.72 0.00 0.00 179.24 178.09 3gft h ILE 93 N 0.00 1.16 -0.73 0.35 1.08 -1.52 -0.42 117.51 117.42 3gft h ILE 93 Ca 0.00 -0.50 0.02 0.00 -0.39 0.00 0.00 64.86 64.00 3gft h ILE 93 Cb 0.56 0.71 -0.04 0.00 -3.07 0.00 0.00 36.82 34.98 3gft h ILE 93 CO 0.00 0.19 0.47 -0.74 -0.69 0.00 0.00 178.15 177.38 3gft h HIS 94 N 0.55 0.88 -0.34 1.37 2.76 -1.79 -2.13 115.15 116.45 3gft h HIS 94 Ca 0.13 0.02 0.01 0.00 -2.20 0.00 0.00 60.37 58.34 3gft h HIS 94 Cb 0.13 -0.29 -0.02 0.00 1.55 0.00 0.00 27.41 28.78 3gft h HIS 94 CO 0.01 0.52 0.20 1.25 -1.30 0.00 0.00 177.93 178.60 3gft h HIS 95 N 0.93 0.38 -0.59 5.26 -0.00 -1.31 -2.06 115.15 117.75 3gft h HIS 95 Ca 0.29 0.01 -0.06 0.00 -0.00 0.00 0.00 60.37 60.61 3gft h HIS 95 Cb -0.02 -0.12 -0.02 0.00 -0.00 0.00 0.00 27.41 27.25 3gft h HIS 95 CO -0.03 0.22 0.14 1.88 -0.00 0.00 0.00 177.93 180.14 3gft h TYR 96 N 0.41 0.99 -0.48 5.26 0.05 -1.19 -1.50 116.97 120.51 3gft h TYR 96 Ca 0.13 -0.12 -0.07 0.00 0.05 0.00 0.00 58.73 58.72 3gft h TYR 96 Cb -0.00 -0.28 -0.02 0.00 1.01 0.00 0.00 36.73 37.44 3gft h TYR 96 CO -0.07 0.85 -0.00 -0.09 -1.05 0.00 0.00 178.16 177.79 3gft h ARG 97 N 0.85 0.79 0.02 4.88 2.43 -1.11 -1.28 114.38 120.96 3gft h ARG 97 Ca 0.18 -0.21 -0.26 0.00 -0.81 0.00 0.00 59.98 58.88 3gft h ARG 97 Cb 0.36 -0.09 0.02 0.00 -0.42 0.00 0.00 29.97 29.84 3gft h ARG 97 CO 0.00 0.80 -1.02 0.93 -1.51 0.00 0.00 179.97 179.18 3gft h GLU 98 N 0.74 0.66 -0.81 0.20 4.39 -1.10 -1.86 114.58 116.80 3gft h GLU 98 Ca 0.14 -0.73 0.00 0.00 0.34 0.00 0.00 59.36 59.12 3gft h GLU 98 Cb 0.46 0.21 -0.04 0.00 -0.10 0.00 0.00 28.75 29.28 3gft h GLU 98 CO 0.02 1.31 0.52 0.37 -1.16 0.00 0.00 179.01 180.07 3gft h GLN 99 N 0.31 1.08 -0.18 2.33 4.15 -1.14 -0.65 115.11 121.02 3gft h GLN 99 Ca -0.13 -0.07 -0.11 0.00 0.77 0.00 0.00 58.65 59.11 3gft h GLN 99 Cb 1.68 -0.24 0.00 0.00 0.21 0.00 0.00 27.48 29.13 3gft h GLN 99 CO 0.20 0.73 -0.31 0.82 -1.93 0.00 0.00 178.83 178.34 3gft h ILE 100 N 1.11 1.34 -0.14 2.39 2.04 -1.02 -2.39 117.51 120.85 3gft h ILE 100 Ca 0.30 -1.54 -0.10 0.00 1.00 0.00 0.00 64.86 64.51 3gft h ILE 100 Cb -0.10 1.91 -0.01 0.00 -0.74 0.00 0.00 36.82 37.87 3gft h ILE 100 CO -0.06 0.47 -0.36 0.11 0.00 0.00 0.00 178.15 178.31 3gft h LYS 101 N 0.17 0.28 -0.04 2.37 1.57 -1.16 -0.59 116.57 119.18 3gft h LYS 101 Ca 0.01 -0.12 -0.01 0.00 -1.87 0.00 0.00 60.65 58.66 3gft h LYS 101 Cb 0.90 -0.01 -0.00 0.00 0.08 0.00 0.00 32.23 33.20 3gft h LYS 101 CO 0.07 0.60 -0.02 -0.09 -0.57 0.00 0.00 179.45 179.44 3gft h ARG 102 N 0.24 0.08 0.17 3.15 2.43 -1.06 -0.05 114.38 119.35 3gft h ARG 102 Ca 0.03 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.15 3gft h ARG 102 Cb 0.75 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.30 3gft h ARG 102 CO 0.06 0.50 -0.08 0.28 -1.51 0.00 0.00 179.97 179.22 3gft h VAL 103 N -0.34 0.93 0.00 0.20 2.07 -1.39 -3.07 116.25 114.65 3gft h VAL 103 Ca 0.01 -0.55 0.00 0.00 0.82 0.00 0.00 66.70 66.98 3gft h VAL 103 Cb 0.48 1.27 0.00 0.00 -1.52 0.00 0.00 31.29 31.52 3gft h VAL 103 CO 0.01 0.13 0.00 0.29 0.02 0.00 0.00 177.57 178.01 3gft n LYS 104 N -5.07 0.02 -3.74 1.57 4.76 -0.23 -4.88 118.16 110.58 3gft n LYS 104 Ca -0.09 0.18 -0.25 0.00 -2.87 0.00 0.00 58.31 55.29 3gft n LYS 104 Cb 0.21 -1.54 0.02 0.00 -1.84 0.00 0.00 35.03 31.88 3gft n LYS 104 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 3gft n ASP 105 N -1.58 -2.19 -3.75 4.39 2.03 -0.09 -4.98 116.55 110.38 3gft n ASP 105 Ca 0.05 -0.92 -0.13 0.00 0.52 0.00 0.00 54.79 54.31 3gft n ASP 105 Cb 0.24 -3.67 -0.08 0.00 -0.72 0.00 0.00 41.12 36.89 3gft n ASP 105 CO 0.00 0.00 0.00 -0.55 -1.92 0.00 0.00 177.20 174.73 3gft s SER 106 N -4.10 -0.18 -0.15 1.67 0.15 -0.82 -5.05 113.70 105.22 3gft s SER 106 Ca 0.14 -0.01 0.05 0.00 0.70 0.00 0.00 55.95 56.83 3gft s SER 106 Cb -0.04 0.34 -0.23 0.00 -1.71 0.00 0.00 66.02 64.37 3gft s SER 106 CO 0.84 -0.52 0.23 -0.62 1.20 0.00 0.00 173.24 174.37 3gft n GLU 107 N 0.98 0.69 -2.55 5.44 -0.58 -1.26 -4.51 120.64 118.85 3gft n GLU 107 Ca -0.20 0.19 -0.33 0.00 -0.42 0.00 0.00 57.16 56.39 3gft n GLU 107 Cb 0.57 -1.65 0.00 0.00 -0.57 0.00 0.00 31.44 29.80 3gft n GLU 107 CO 0.00 0.00 0.00 -0.40 -0.48 0.00 0.00 177.13 176.25 3gft n ASP 108 N -3.17 5.88 -4.72 1.62 5.75 -1.26 -5.02 116.55 115.62 3gft n ASP 108 Ca -0.32 -3.73 -0.41 0.00 -0.01 0.00 0.00 54.79 50.32 3gft n ASP 108 Cb 1.06 -0.79 -0.04 0.00 -1.03 0.00 0.00 41.12 40.32 3gft n ASP 108 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 3gft s VAL 109 N -4.82 4.75 -0.20 2.12 1.01 -1.26 -4.98 120.40 117.02 3gft s VAL 109 Ca 0.47 1.94 -0.35 0.00 0.00 0.00 0.00 61.98 64.05 3gft s VAL 109 Cb 0.32 -4.27 -0.11 0.00 0.00 0.00 0.00 36.38 32.32 3gft s VAL 109 CO -0.21 0.25 1.99 -2.65 0.00 0.00 0.00 175.10 174.48 3gft n PRO 110 N 3.38 1.73 -3.96 2.72 -0.02 -1.26 -4.97 135.00 132.62 3gft n PRO 110 Ca 0.03 0.59 -0.09 0.00 -2.02 0.00 0.00 63.50 62.00 3gft n PRO 110 Cb 0.50 -2.60 -0.11 0.00 -0.02 0.00 0.00 33.50 31.28 3gft n PRO 110 CO 0.00 0.00 0.00 -1.64 1.98 0.00 0.00 175.50 175.84 3gft s MET 111 N 4.87 0.32 -0.05 -0.52 -1.94 -1.26 -1.40 119.30 119.32 3gft s MET 111 Ca 0.99 -0.56 0.04 0.00 -1.71 0.00 0.00 55.69 54.45 3gft s MET 111 Cb -0.74 0.12 0.00 0.00 2.01 0.00 0.00 34.83 36.21 3gft s MET 111 CO 0.51 -0.06 -0.15 0.08 -0.01 0.00 0.00 175.02 175.39 3gft s VAL 112 N -1.39 1.31 -0.21 -6.03 1.01 -0.00 -4.31 120.40 110.78 3gft s VAL 112 Ca -0.15 -0.64 -0.19 0.00 0.00 0.00 0.00 61.98 61.00 3gft s VAL 112 Cb -0.09 -1.14 -0.03 0.00 0.00 0.00 0.00 36.38 35.12 3gft s VAL 112 CO -0.01 0.38 0.55 -0.22 0.00 0.00 0.00 175.10 175.81 3gft s LEU 113 N 0.16 4.14 -0.18 3.92 2.96 -0.34 -0.35 118.68 128.98 3gft s LEU 113 Ca -0.06 0.70 0.01 0.00 -0.22 0.00 0.00 54.13 54.57 3gft s LEU 113 Cb -0.12 -2.75 0.03 0.00 0.50 0.00 0.00 46.19 43.85 3gft s LEU 113 CO 0.02 -0.22 -0.16 -0.69 -1.32 0.00 0.00 176.35 173.99 3gft s VAL 114 N 1.78 1.86 -0.62 1.68 1.01 -0.11 -1.03 120.40 124.97 3gft s VAL 114 Ca 0.25 -0.95 -0.14 0.00 0.00 0.00 0.00 61.98 61.14 3gft s VAL 114 Cb -0.16 -1.78 0.16 0.00 0.00 0.00 0.00 36.38 34.61 3gft s VAL 114 CO 0.10 0.39 0.56 -0.83 0.00 0.00 0.00 175.10 175.31 3gft s GLY 115 N 1.34 2.27 0.73 4.51 0.00 -0.41 -0.90 107.32 114.87 3gft s GLY 115 Ca 0.02 -2.80 -0.09 0.00 0.00 0.00 0.00 44.72 41.86 3gft s GLY 115 CO -0.11 1.20 1.07 0.21 0.00 0.00 0.00 173.10 175.48 3gft s ASN 116 N 2.97 4.82 -1.11 1.64 2.47 0.75 -1.49 114.94 124.99 3gft s ASN 116 Ca 0.08 0.65 -0.01 0.00 0.42 0.00 0.00 52.86 54.00 3gft s ASN 116 Cb -0.23 -1.28 0.00 0.00 -1.45 0.00 0.00 41.25 38.29 3gft s ASN 116 CO -0.01 -1.64 0.14 0.29 -3.72 0.00 0.00 177.10 172.15 3gft n LYS 117 N -3.04 -1.81 0.00 0.43 5.02 -0.59 -1.29 118.16 116.88 3gft n LYS 117 Ca 0.08 0.64 0.06 0.00 -2.02 0.00 0.00 58.31 57.06 3gft n LYS 117 Cb 0.60 -4.87 0.31 0.00 -0.02 0.00 0.00 35.03 31.05 3gft n LYS 117 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3gft h ASP 119 N 0.00 0.00 -3.43 0.00 2.03 -1.90 -3.47 116.42 109.65 3gft h ASP 119 Ca 0.00 -0.08 -0.54 0.00 -0.73 0.00 0.00 57.03 55.68 3gft h ASP 119 Cb 0.05 0.00 -0.03 0.00 -0.83 0.00 0.00 39.33 38.51 3gft h ASP 119 CO 0.00 0.04 -0.02 -0.76 -1.03 0.00 0.00 179.24 177.47 3gft s LEU 120 N -5.00 4.30 0.00 0.15 1.43 -0.58 -5.08 118.68 113.90 3gft s LEU 120 Ca 0.03 1.17 0.00 0.00 -1.03 0.00 0.00 54.13 54.29 3gft s LEU 120 Cb 0.11 -3.45 0.00 0.00 0.03 0.00 0.00 46.19 42.87 3gft s LEU 120 CO 0.75 0.04 0.00 -0.81 0.23 0.00 0.00 176.35 176.57 3gft n PRO 121 N 0.60 0.23 -3.64 1.29 -0.04 -1.26 -4.50 135.00 127.68 3gft n PRO 121 Ca -0.03 0.00 -0.25 0.00 -0.04 0.00 0.00 63.50 63.18 3gft n PRO 121 Cb 0.52 0.00 0.07 0.00 -0.04 0.00 0.00 33.50 34.05 3gft n PRO 121 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 3gft n SER 122 N -2.66 -6.14 -4.69 3.54 7.64 -1.26 -4.93 113.62 105.11 3gft n SER 122 Ca 0.00 -0.57 -0.44 0.00 1.01 0.00 0.00 58.87 58.86 3gft n SER 122 Cb 0.00 -4.88 -0.03 0.00 -1.01 0.00 0.00 64.21 58.28 3gft n SER 122 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89 3gft n ARG 123 N -4.97 2.37 -0.00 1.43 0.63 -1.26 -4.64 116.66 110.22 3gft n ARG 123 Ca 0.01 0.85 0.03 0.00 -0.92 0.00 0.00 57.85 57.82 3gft n ARG 123 Cb 0.56 -2.63 -0.03 0.00 0.45 0.00 0.00 32.46 30.80 3gft n ARG 123 CO 0.00 0.00 0.00 0.25 -2.51 0.00 0.00 177.63 175.37 3gft n THR 124 N 3.27 0.00 -4.15 5.15 -2.24 0.23 -4.96 114.28 111.58 3gft n THR 124 Ca 0.15 -0.28 -0.34 0.00 -2.27 0.00 0.00 64.05 61.31 3gft n THR 124 Cb 0.32 0.77 -0.15 0.00 -2.10 0.00 0.00 70.33 69.17 3gft n THR 124 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3gft s VAL 125 N -1.82 2.84 0.63 2.28 1.01 -0.53 -4.85 120.40 119.95 3gft s VAL 125 Ca 0.01 -0.69 -0.15 0.00 0.00 0.00 0.00 61.98 61.15 3gft s VAL 125 Cb 0.04 -2.24 -0.02 0.00 0.00 0.00 0.00 36.38 34.15 3gft s VAL 125 CO 0.22 0.48 1.08 -1.81 0.00 0.00 0.00 175.10 175.07 3gft s ASP 126 N 1.21 5.51 0.17 3.32 1.01 -1.26 -4.91 116.67 121.72 3gft s ASP 126 Ca 0.02 1.87 -0.05 0.00 0.71 0.00 0.00 52.55 55.09 3gft s ASP 126 Cb -0.14 -2.54 0.06 0.00 1.01 0.00 0.00 42.92 41.31 3gft s ASP 126 CO -0.05 -1.36 1.48 0.74 0.21 0.00 0.00 175.17 176.20 3gft h THR 127 N 0.20 1.31 -0.44 -1.27 2.02 -1.99 -3.06 112.91 109.67 3gft h THR 127 Ca -0.47 -1.77 -0.12 0.00 0.77 0.00 0.00 66.41 64.83 3gft h THR 127 Cb 1.23 1.72 -0.01 0.00 -1.74 0.00 0.00 68.15 69.34 3gft h THR 127 CO 0.56 0.56 -0.20 0.50 0.37 0.00 0.00 175.52 177.31 3gft h LYS 128 N 0.50 0.88 0.15 6.66 3.64 -1.97 0.68 116.57 127.10 3gft h LYS 128 Ca 0.01 -0.35 -0.01 0.00 -1.27 0.00 0.00 60.65 59.03 3gft h LYS 128 Cb 1.10 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.88 3gft h LYS 128 CO 0.11 1.00 -0.07 1.96 -2.27 0.00 0.00 179.45 180.17 3gft h GLN 129 N 0.77 -0.20 -0.59 1.90 4.20 -1.95 0.21 115.11 119.45 3gft h GLN 129 Ca 0.11 0.01 -0.05 0.00 0.06 0.00 0.00 58.65 58.78 3gft h GLN 129 Cb 0.74 0.04 -0.02 0.00 0.30 0.00 0.00 27.48 28.54 3gft h GLN 129 CO 0.06 -0.10 0.19 0.00 -0.67 0.00 0.00 178.83 178.30 3gft h ALA 130 N 0.61 0.77 -0.89 3.87 0.00 -1.47 -0.78 119.26 121.38 3gft h ALA 130 Ca -0.02 -0.20 0.05 0.00 0.00 0.00 0.00 54.91 54.74 3gft h ALA 130 Cb 0.19 -0.23 -0.05 0.00 0.00 0.00 0.00 17.79 17.70 3gft h ALA 130 CO 0.03 0.43 0.58 1.96 0.00 0.00 0.00 179.25 182.26 3gft h GLN 131 N 0.83 1.02 -0.25 0.00 4.20 -0.60 -0.55 115.11 119.76 3gft h GLN 131 Ca 0.19 -0.06 -0.20 0.00 0.06 0.00 0.00 58.65 58.64 3gft h GLN 131 Cb 0.28 -0.23 0.00 0.00 0.30 0.00 0.00 27.48 27.84 3gft h GLN 131 CO -0.01 0.67 -0.63 -0.44 -0.67 0.00 0.00 178.83 177.76 3gft h ASP 132 N 1.05 0.98 -0.16 1.46 3.32 -0.10 -1.82 116.42 121.15 3gft h ASP 132 Ca 0.37 -0.57 -0.11 0.00 0.02 0.00 0.00 57.03 56.74 3gft h ASP 132 Cb 0.12 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.38 3gft h ASP 132 CO -0.13 1.37 -0.27 0.25 -1.72 0.00 0.00 179.24 178.74 3gft h LEU 133 N 0.63 0.64 0.05 1.55 5.85 -0.75 -1.01 115.31 122.28 3gft h LEU 133 Ca -0.01 -0.24 -0.00 0.00 0.84 0.00 0.00 57.88 58.47 3gft h LEU 133 Cb 1.24 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 42.10 3gft h LEU 133 CO 0.14 0.89 -0.03 0.00 -0.34 0.00 0.00 178.44 179.10 3gft h ALA 134 N 1.16 -0.07 -0.44 1.25 0.00 -1.08 -2.85 119.26 117.23 3gft h ALA 134 Ca 0.07 -0.18 0.07 0.00 0.00 0.00 0.00 54.91 54.87 3gft h ALA 134 Cb 0.75 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.54 3gft h ALA 134 CO 0.06 -0.36 0.30 -0.09 0.00 0.00 0.00 179.25 179.16 3gft h ARG 135 N -0.44 0.27 0.00 0.00 2.43 -1.17 0.11 114.38 115.58 3gft h ARG 135 Ca -0.01 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 3gft h ARG 135 Cb 0.39 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 29.88 3gft h ARG 135 CO 0.01 0.18 0.00 0.66 -1.51 0.00 0.00 179.97 179.31 3gft h SER 136 N 0.28 0.00 0.00 -3.80 4.64 -0.99 -2.82 113.55 110.86 3gft h SER 136 Ca 0.20 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.52 3gft h SER 136 Cb 0.42 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.51 3gft h SER 136 CO -0.04 0.00 -0.98 -1.22 -0.87 0.00 0.00 176.83 173.72 3gft n TYR 137 N -3.02 0.00 -2.31 4.77 4.01 0.27 -4.97 117.16 115.92 3gft n TYR 137 Ca 0.02 0.00 -0.14 0.00 -0.16 0.00 0.00 57.90 57.62 3gft n TYR 137 Cb 0.39 -0.02 -0.00 0.00 -0.31 0.00 0.00 39.34 39.39 3gft n TYR 137 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3gft n GLY 138 N 1.46 -0.18 3.53 2.72 0.00 -0.50 -5.04 105.19 107.17 3gft n GLY 138 Ca 0.03 -0.30 -0.24 0.00 0.00 0.00 0.00 46.02 45.51 3gft n GLY 138 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3gft s ILE 139 N -2.70 2.73 0.59 -0.61 -4.36 -0.77 -5.02 121.20 111.06 3gft s ILE 139 Ca 0.02 -2.24 -0.14 0.00 -0.26 0.00 0.00 60.65 58.03 3gft s ILE 139 Cb -0.01 -2.50 -0.05 0.00 1.25 0.00 0.00 42.46 41.16 3gft s ILE 139 CO 0.03 -0.37 1.02 -2.84 0.24 0.00 0.00 174.94 173.02 3gft s PRO 140 N -3.57 3.57 -0.04 0.37 0.02 -1.26 -4.15 135.00 129.94 3gft s PRO 140 Ca 0.31 0.95 0.05 0.00 0.02 0.00 0.00 61.00 62.33 3gft s PRO 140 Cb -0.05 -2.08 -0.01 0.00 0.02 0.00 0.00 34.50 32.39 3gft s PRO 140 CO 0.17 -0.59 -0.20 0.12 -0.33 0.00 0.00 177.00 176.17 3gft s PHE 141 N -2.81 1.95 -0.00 6.54 5.36 -1.26 -1.20 117.98 126.57 3gft s PHE 141 Ca 0.59 -0.53 0.01 0.00 -0.96 0.00 0.00 56.93 56.04 3gft s PHE 141 Cb -0.12 -1.29 -0.00 0.00 -0.34 0.00 0.00 43.02 41.27 3gft s PHE 141 CO 0.42 -0.15 -0.04 0.42 -1.46 0.00 0.00 175.22 174.40 3gft s ILE 142 N -0.12 0.35 -0.16 3.12 -1.09 -0.19 -4.99 121.20 118.12 3gft s ILE 142 Ca -0.01 -0.23 -0.09 0.00 -2.23 0.00 0.00 60.65 58.09 3gft s ILE 142 Cb -0.11 -0.30 -0.05 0.00 -1.58 0.00 0.00 42.46 40.42 3gft s ILE 142 CO 0.02 0.07 0.16 -1.61 -1.23 0.00 0.00 174.94 172.35 3gft s GLU 143 N -0.17 3.88 0.10 2.79 2.02 -1.26 -1.28 118.70 124.77 3gft s GLU 143 Ca 0.01 -0.13 0.03 0.00 0.02 0.00 0.00 54.97 54.90 3gft s GLU 143 Cb -0.02 -3.32 -0.04 0.00 0.10 0.00 0.00 34.13 30.85 3gft s GLU 143 CO -0.00 0.50 -0.08 0.95 0.02 0.00 0.00 175.26 176.65 3gft s THR 144 N -0.25 0.82 -0.04 3.63 -4.23 -0.56 -4.31 115.64 110.70 3gft s THR 144 Ca 0.12 -1.72 -0.01 0.00 -1.18 0.00 0.00 61.69 58.91 3gft s THR 144 Cb -0.12 -1.43 0.03 0.00 1.34 0.00 0.00 72.50 72.32 3gft s THR 144 CO 0.02 -0.67 0.02 -0.55 -0.54 0.00 0.00 174.62 172.89 3gft s SER 145 N -2.62 0.96 0.51 3.99 0.15 -0.10 -1.12 113.70 115.47 3gft s SER 145 Ca 0.07 -0.02 0.31 0.00 0.70 0.00 0.00 55.95 57.02 3gft s SER 145 Cb -0.00 -0.27 1.20 0.00 -1.71 0.00 0.00 66.02 65.24 3gft s SER 145 CO -0.02 -0.17 1.91 0.00 1.20 0.00 0.00 173.24 176.17 3gft h ALA 146 N 7.88 1.00 0.00 5.45 0.00 -1.90 -0.13 119.26 131.56 3gft h ALA 146 Ca -0.28 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.63 3gft h ALA 146 Cb 1.13 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.92 3gft h ALA 146 CO 0.33 0.00 -0.07 -0.22 0.00 0.00 0.00 179.25 179.28 3gft h LYS 147 N 0.00 0.00 0.00 0.00 3.64 -1.95 -3.36 116.57 114.90 3gft h LYS 147 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3gft h LYS 147 Cb 0.56 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.38 3gft h LYS 147 CO 0.00 0.19 -0.26 0.25 -2.27 0.00 0.00 179.45 177.36 3gft n THR 148 N -4.73 0.20 -0.86 1.00 -2.24 -1.24 -4.91 114.28 101.50 3gft n THR 148 Ca -0.03 -0.12 0.00 0.00 -2.27 0.00 0.00 64.05 61.63 3gft n THR 148 Cb 0.12 -0.25 0.00 0.00 -2.10 0.00 0.00 70.33 68.10 3gft n THR 148 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 3gft n ARG 149 N -1.79 0.00 -1.67 -0.78 0.63 -0.07 -4.98 116.66 108.00 3gft n ARG 149 Ca 0.06 0.00 -0.50 0.00 -0.92 0.00 0.00 57.85 56.49 3gft n ARG 149 Cb 0.38 -2.65 -0.05 0.00 0.45 0.00 0.00 32.46 30.58 3gft n ARG 149 CO 0.00 0.00 0.00 0.94 -2.51 0.00 0.00 177.63 176.06 3gft n GLN 150 N -2.00 1.86 -0.85 -0.14 7.27 -1.16 -2.48 117.38 119.87 3gft n GLN 150 Ca 0.00 0.68 0.00 0.00 0.07 0.00 0.00 57.00 57.75 3gft n GLN 150 Cb 0.00 -2.45 0.00 0.00 2.41 0.00 0.00 30.24 30.20 3gft n GLN 150 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3gft n GLY 151 N 3.88 0.53 0.44 1.69 0.00 -1.26 -0.92 105.19 109.55 3gft n GLY 151 Ca 0.21 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.05 3gft n GLY 151 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3gft h VAL 152 N 0.00 0.18 -0.65 1.61 2.07 -1.77 -0.34 116.25 117.35 3gft h VAL 152 Ca 0.00 -0.04 0.04 0.00 0.82 0.00 0.00 66.70 67.52 3gft h VAL 152 Cb 0.09 0.19 -0.05 0.00 -1.52 0.00 0.00 31.29 30.00 3gft h VAL 152 CO 0.00 0.00 0.38 0.44 0.02 0.00 0.00 177.57 178.41 3gft h ASP 153 N -1.13 0.60 -0.49 0.57 3.32 -1.91 -2.94 116.42 114.44 3gft h ASP 153 Ca -0.11 0.01 0.07 0.00 0.02 0.00 0.00 57.03 57.02 3gft h ASP 153 Cb 0.84 -0.11 -0.06 0.00 0.22 0.00 0.00 39.33 40.22 3gft h ASP 153 CO 0.18 0.41 0.16 -0.78 -1.72 0.00 0.00 179.24 177.49 3gft h ASP 154 N 0.73 0.14 -0.60 6.45 1.82 -1.91 0.19 116.42 123.25 3gft h ASP 154 Ca 0.27 0.07 0.00 0.00 -0.39 0.00 0.00 57.03 56.98 3gft h ASP 154 Cb 0.09 0.06 -0.03 0.00 0.68 0.00 0.00 39.33 40.13 3gft h ASP 154 CO -0.14 0.11 0.39 0.00 -1.61 0.00 0.00 179.24 177.98 3gft h ALA 155 N 1.34 0.76 -0.06 -0.78 0.00 -0.88 0.25 119.26 119.89 3gft h ALA 155 Ca 0.24 -0.05 -0.10 0.00 0.00 0.00 0.00 54.91 55.00 3gft h ALA 155 Cb 0.27 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.82 3gft h ALA 155 CO -0.26 0.21 -0.34 0.74 0.00 0.00 0.00 179.25 179.60 3gft h PHE 156 N 0.81 0.47 -0.41 0.00 0.04 -1.29 -2.53 116.94 114.04 3gft h PHE 156 Ca 0.22 -0.21 -0.08 0.00 2.80 0.00 0.00 57.97 60.70 3gft h PHE 156 Cb -0.07 -0.07 -0.02 0.00 2.20 0.00 0.00 35.95 37.99 3gft h PHE 156 CO -0.03 0.95 -0.07 1.88 -0.60 0.00 0.00 178.31 180.44 3gft h TYR 157 N -0.16 0.75 -0.66 -0.55 -1.99 -0.57 -2.41 116.97 111.39 3gft h TYR 157 Ca -0.02 -0.12 -0.05 0.00 2.00 0.00 0.00 58.73 60.54 3gft h TYR 157 Cb 1.00 -0.20 -0.03 0.00 2.00 0.00 0.00 36.73 39.50 3gft h TYR 157 CO 0.13 0.75 0.21 1.15 -0.00 0.00 0.00 178.16 180.40 3gft h THR 158 N 0.64 1.25 -0.75 -2.88 2.02 -0.52 -2.10 112.91 110.57 3gft h THR 158 Ca 0.12 -0.85 -0.03 0.00 0.77 0.00 0.00 66.41 66.41 3gft h THR 158 Cb 0.51 0.55 -0.03 0.00 -1.74 0.00 0.00 68.15 67.44 3gft h THR 158 CO 0.03 0.33 0.33 0.25 0.37 0.00 0.00 175.52 176.83 3gft h LEU 159 N 0.96 0.98 -0.59 2.58 5.85 -1.18 -1.45 115.31 122.46 3gft h LEU 159 Ca 0.21 -0.12 -0.03 0.00 0.84 0.00 0.00 57.88 58.78 3gft h LEU 159 Cb 0.29 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 41.04 3gft h LEU 159 CO -0.01 0.85 0.25 0.58 -0.34 0.00 0.00 178.44 179.77 3gft h VAL 160 N 1.07 1.22 -0.30 1.05 2.07 -1.22 -1.07 116.25 119.06 3gft h VAL 160 Ca 0.26 -0.67 -0.04 0.00 0.82 0.00 0.00 66.70 67.06 3gft h VAL 160 Cb 0.14 0.57 -0.02 0.00 -1.52 0.00 0.00 31.29 30.47 3gft h VAL 160 CO -0.03 0.26 -0.00 0.03 0.02 0.00 0.00 177.57 177.86 3gft h ARG 161 N 0.81 0.46 -0.48 1.57 3.08 -0.96 -0.18 114.38 118.68 3gft h ARG 161 Ca 0.20 -0.09 -0.13 0.00 0.07 0.00 0.00 59.98 60.03 3gft h ARG 161 Cb 0.18 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.14 3gft h ARG 161 CO -0.02 0.49 -0.19 0.93 -1.07 0.00 0.00 179.97 180.11 3gft h GLU 162 N 0.44 0.98 -0.42 0.04 4.39 -0.81 -1.24 114.58 117.96 3gft h GLU 162 Ca 0.10 -0.41 -0.08 0.00 0.34 0.00 0.00 59.36 59.31 3gft h GLU 162 Cb 0.29 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 28.89 3gft h GLU 162 CO 0.01 1.08 -0.04 0.82 -1.16 0.00 0.00 179.01 179.72 3gft h ILE 163 N 0.83 1.27 0.00 3.13 2.04 -0.69 -1.96 117.51 122.13 3gft h ILE 163 Ca 0.11 -1.11 -0.06 0.00 1.00 0.00 0.00 64.86 64.81 3gft h ILE 163 Cb 0.76 1.13 -0.01 0.00 -0.74 0.00 0.00 36.82 37.96 3gft h ILE 163 CO 0.06 0.38 -0.28 0.03 0.00 0.00 0.00 178.15 178.34 3gft h ARG 164 N 0.61 0.00 0.02 2.37 3.08 -0.92 -1.48 114.38 118.05 3gft h ARG 164 Ca 0.11 0.00 -0.22 0.00 0.07 0.00 0.00 59.98 59.94 3gft h ARG 164 Cb 0.55 0.00 0.02 0.00 0.08 0.00 0.00 29.97 30.62 3gft h ARG 164 CO 0.03 0.28 -0.89 0.87 -1.07 0.00 0.00 179.97 179.19 3gft h LYS 165 N 0.00 0.57 0.00 0.04 1.57 -1.04 -3.23 116.57 114.47 3gft h LYS 165 Ca -0.00 -0.64 -0.07 0.00 -1.87 0.00 0.00 60.65 58.07 3gft h LYS 165 Cb 0.64 0.19 -0.01 0.00 0.08 0.00 0.00 32.23 33.13 3gft h LYS 165 CO 0.04 1.25 -0.35 0.45 -0.57 0.00 0.00 179.45 180.27 3gft h HIS 166 N 0.15 0.00 -0.02 -1.35 3.86 -1.00 -3.51 115.15 113.29 3gft h HIS 166 Ca -0.12 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.09 3gft h HIS 166 Cb 1.57 0.00 0.00 0.00 1.06 0.00 0.00 27.41 30.04 3gft h HIS 166 CO 0.13 0.35 0.00 0.36 0.86 0.00 0.00 177.93 179.62