#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gpn s LEU 2 N 0.00 1.45 -0.17 -0.89 2.96 -0.03 -4.10 118.68 117.90 3gpn s LEU 2 Ca 0.00 -0.24 -0.02 0.00 -0.22 0.00 0.00 54.13 53.66 3gpn s LEU 2 Cb 0.00 -0.69 0.05 0.00 0.50 0.00 0.00 46.19 46.05 3gpn s LEU 2 CO 0.00 -0.02 0.01 -1.61 -1.32 0.00 0.00 176.35 173.40 3gpn s GLU 3 N 0.91 0.89 -0.21 1.98 8.01 -0.26 -2.51 118.70 127.50 3gpn s GLU 3 Ca -0.10 -0.42 0.00 0.00 0.01 0.00 0.00 54.97 54.46 3gpn s GLU 3 Cb -0.15 -1.97 0.05 0.00 -4.31 0.00 0.00 34.13 27.75 3gpn s GLU 3 CO 0.01 -0.55 -0.06 0.00 0.01 0.00 0.00 175.26 174.67 3gpn s ALA 4 N 1.79 1.86 -0.16 5.21 0.00 -0.54 0.45 121.76 130.38 3gpn s ALA 4 Ca -0.00 -1.21 -0.00 0.00 0.00 0.00 0.00 51.96 50.74 3gpn s ALA 4 Cb -0.16 -1.34 -0.00 0.00 0.00 0.00 0.00 23.12 21.61 3gpn s ALA 4 CO -0.07 -1.04 -0.14 0.21 0.00 0.00 0.00 175.76 174.72 3gpn s LYS 5 N 1.45 3.27 -0.13 0.00 2.20 -0.49 -0.00 119.74 126.04 3gpn s LYS 5 Ca -0.04 -0.72 -0.12 0.00 -0.36 0.00 0.00 55.97 54.73 3gpn s LYS 5 Cb -0.18 -2.67 -0.05 0.00 -1.51 0.00 0.00 37.83 33.42 3gpn s LYS 5 CO -0.07 0.02 0.26 -0.06 -0.36 0.00 0.00 175.35 175.15 3gpn s PHE 6 N 0.81 3.54 0.17 4.03 0.08 0.11 -1.18 117.98 125.54 3gpn s PHE 6 Ca -0.05 0.63 -0.14 0.00 0.12 0.00 0.00 56.93 57.48 3gpn s PHE 6 Cb -0.15 -2.22 0.10 0.00 -0.57 0.00 0.00 43.02 40.18 3gpn s PHE 6 CO 0.00 0.43 1.77 1.49 -0.10 0.00 0.00 175.22 178.82 3gpn h GLU 7 N 5.92 0.39 -4.93 0.44 4.81 -1.88 -2.63 114.58 116.70 3gpn h GLU 7 Ca -0.46 -0.02 -0.67 0.00 -0.13 0.00 0.00 59.36 58.07 3gpn h GLU 7 Cb 1.19 -0.09 -0.35 0.00 0.63 0.00 0.00 28.75 30.13 3gpn h GLU 7 CO 0.69 0.26 -0.80 -1.21 -0.73 0.00 0.00 179.01 177.22 3gpn s GLU 8 N -6.14 2.63 0.39 1.92 0.41 -1.26 -4.10 118.70 112.55 3gpn s GLU 8 Ca -0.13 -1.09 0.21 0.00 -0.41 0.00 0.00 54.97 53.55 3gpn s GLU 8 Cb 0.13 -2.83 1.22 0.00 -1.78 0.00 0.00 34.13 30.86 3gpn s GLU 8 CO 0.72 -0.42 1.67 0.00 -0.49 0.00 0.00 175.26 176.75 3gpn h ALA 9 N 7.90 2.31 -0.63 5.21 0.00 -1.14 -2.54 119.26 130.37 3gpn h ALA 9 Ca -0.31 0.13 0.13 0.00 0.00 0.00 0.00 54.91 54.86 3gpn h ALA 9 Cb 1.09 0.14 -0.10 0.00 0.00 0.00 0.00 17.79 18.92 3gpn h ALA 9 CO 0.55 -0.88 0.02 0.66 0.00 0.00 0.00 179.25 179.60 3gpn h SER 10 N 0.25 -0.24 -0.69 0.00 4.64 -1.84 -0.38 113.55 115.28 3gpn h SER 10 Ca 0.73 0.15 0.14 0.00 -0.47 0.00 0.00 61.79 62.34 3gpn h SER 10 Cb 1.97 0.26 -0.13 0.00 -0.31 0.00 0.00 62.40 64.19 3gpn h SER 10 CO -0.46 -0.10 -0.22 0.25 -0.87 0.00 0.00 176.83 175.43 3gpn h LEU 11 N 0.13 -0.79 -1.06 5.97 5.85 -1.78 -0.81 115.31 122.83 3gpn h LEU 11 Ca 0.33 0.22 -0.09 0.00 0.84 0.00 0.00 57.88 59.18 3gpn h LEU 11 Cb 0.54 0.48 -0.01 0.00 0.37 0.00 0.00 40.66 42.03 3gpn h LEU 11 CO -0.52 -0.25 -0.26 0.15 -0.34 0.00 0.00 178.44 177.22 3gpn h PHE 12 N -0.04 0.39 -0.20 1.25 3.57 -1.23 -1.83 116.94 118.86 3gpn h PHE 12 Ca 0.32 -0.08 -0.01 0.00 3.53 0.00 0.00 57.97 61.74 3gpn h PHE 12 Cb 0.53 -0.10 -0.01 0.00 2.79 0.00 0.00 35.95 39.17 3gpn h PHE 12 CO -0.59 0.58 0.10 0.87 -2.23 0.00 0.00 178.31 177.04 3gpn h LYS 13 N 0.31 0.28 -0.11 1.11 1.79 -0.95 -1.51 116.57 117.50 3gpn h LYS 13 Ca 0.05 -0.04 -0.12 0.00 -2.18 0.00 0.00 60.65 58.36 3gpn h LYS 13 Cb 0.63 -0.05 -0.01 0.00 -1.58 0.00 0.00 32.23 31.21 3gpn h LYS 13 CO 0.04 0.29 -0.48 0.00 -1.08 0.00 0.00 179.45 178.23 3gpn h ARG 14 N 0.21 0.27 -0.58 3.15 3.08 -1.00 0.81 114.38 120.31 3gpn h ARG 14 Ca 0.07 -0.15 -0.01 0.00 0.07 0.00 0.00 59.98 59.97 3gpn h ARG 14 Cb 0.09 0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.12 3gpn h ARG 14 CO -0.01 0.69 0.34 0.82 -1.07 0.00 0.00 179.97 180.74 3gpn h ILE 15 N 0.22 1.18 0.00 2.04 2.04 -1.11 -2.21 117.51 119.66 3gpn h ILE 15 Ca 0.01 -0.42 -0.08 0.00 1.00 0.00 0.00 64.86 65.38 3gpn h ILE 15 Cb 0.92 0.41 -0.01 0.00 -0.74 0.00 0.00 36.82 37.40 3gpn h ILE 15 CO 0.08 0.19 -0.37 0.40 0.00 0.00 0.00 178.15 178.44 3gpn h ILE 16 N 0.78 0.84 -0.54 -0.67 1.08 -0.50 -3.11 117.51 115.40 3gpn h ILE 16 Ca 0.21 -1.55 -0.09 0.00 -0.39 0.00 0.00 64.86 63.04 3gpn h ILE 16 Cb 0.00 1.96 -0.02 0.00 -3.07 0.00 0.00 36.82 35.69 3gpn h ILE 16 CO -0.04 0.36 -0.01 0.44 -0.69 0.00 0.00 178.15 178.22 3gpn h ASP 17 N 0.00 0.90 0.38 1.72 3.32 -0.26 -1.03 116.42 121.45 3gpn h ASP 17 Ca -0.00 -0.24 0.00 0.00 0.02 0.00 0.00 57.03 56.81 3gpn h ASP 17 Cb 0.93 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 40.24 3gpn h ASP 17 CO 0.05 0.96 0.00 1.23 -1.72 0.00 0.00 179.24 179.76 3gpn h GLY 18 N 0.99 0.00 0.00 2.75 0.00 -1.39 -3.35 103.07 102.07 3gpn h GLY 18 Ca 0.16 0.00 -0.40 0.00 0.00 0.00 0.00 47.33 47.09 3gpn h GLY 18 CO 0.03 0.00 -2.32 0.69 0.00 0.00 0.00 176.54 174.94 3gpn n PHE 19 N -2.44 0.00 0.21 5.60 3.01 -0.74 -4.75 117.46 118.36 3gpn n PHE 19 Ca -0.00 0.00 0.17 0.00 1.01 0.00 0.00 57.45 58.63 3gpn n PHE 19 Cb 0.14 -0.85 0.83 0.00 -0.01 0.00 0.00 39.48 39.60 3gpn n PHE 19 CO 0.00 0.00 0.00 1.57 1.01 0.00 0.00 176.76 179.34 3gpn h LYS 20 N -0.82 0.00 0.00 -1.08 2.10 -1.35 -1.86 116.57 113.56 3gpn h LYS 20 Ca -0.60 0.00 -0.09 0.00 -2.00 0.00 0.00 60.65 57.97 3gpn h LYS 20 Cb 1.53 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.85 3gpn h LYS 20 CO -0.35 0.00 -0.75 -0.44 -2.00 0.00 0.00 179.45 175.90 3gpn h ASP 21 N 0.00 0.00 0.00 7.07 3.32 -1.85 -3.37 116.42 121.59 3gpn h ASP 21 Ca 0.09 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.14 3gpn h ASP 21 Cb 0.49 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.04 3gpn h ASP 21 CO -0.00 0.36 -0.58 0.00 -1.72 0.00 0.00 179.24 177.30 3gpn s VAL 23 N -1.89 0.04 -0.24 0.00 1.01 -0.82 -4.63 120.40 113.87 3gpn s VAL 23 Ca 0.01 -0.31 0.03 0.00 0.00 0.00 0.00 61.98 61.72 3gpn s VAL 23 Cb 0.05 -0.20 -0.16 0.00 0.00 0.00 0.00 36.38 36.07 3gpn s VAL 23 CO 0.31 -0.17 -0.19 0.00 0.00 0.00 0.00 175.10 175.04 3gpn n GLN 24 N 2.47 0.63 -4.20 2.72 6.02 -1.26 -4.09 117.38 119.67 3gpn n GLN 24 Ca -0.16 0.13 -0.34 0.00 -0.01 0.00 0.00 57.00 56.61 3gpn n GLN 24 Cb 0.58 -1.48 -0.14 0.00 1.02 0.00 0.00 30.24 30.21 3gpn n GLN 24 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 3gpn s LEU 25 N -6.33 2.76 -0.01 1.08 1.43 -1.26 -0.16 118.68 116.18 3gpn s LEU 25 Ca -0.31 -0.40 0.02 0.00 -1.03 0.00 0.00 54.13 52.42 3gpn s LEU 25 Cb 0.08 -1.67 -0.01 0.00 0.03 0.00 0.00 46.19 44.62 3gpn s LEU 25 CO 0.57 0.04 -0.08 0.54 0.23 0.00 0.00 176.35 177.66 3gpn s VAL 26 N 1.10 0.62 0.05 -1.59 0.11 -1.10 -5.00 120.40 114.58 3gpn s VAL 26 Ca 0.01 -0.34 -0.23 0.00 -2.93 0.00 0.00 61.98 58.49 3gpn s VAL 26 Cb -0.15 -0.52 -0.06 0.00 -1.53 0.00 0.00 36.38 34.13 3gpn s VAL 26 CO -0.02 0.17 0.68 0.20 -3.33 0.00 0.00 175.10 172.80 3gpn s ASN 27 N -0.19 7.14 -0.29 3.54 0.01 -1.26 -1.40 114.94 122.48 3gpn s ASN 27 Ca 0.03 1.35 -0.06 0.00 -0.71 0.00 0.00 52.86 53.47 3gpn s ASN 27 Cb -0.03 -2.42 0.01 0.00 0.41 0.00 0.00 41.25 39.22 3gpn s ASN 27 CO -0.00 0.12 0.07 -0.36 -1.51 0.00 0.00 177.10 175.41 3gpn s PHE 28 N -0.44 3.14 -0.54 2.20 0.08 0.11 -4.10 117.98 118.44 3gpn s PHE 28 Ca 0.34 -1.01 -0.17 0.00 0.12 0.00 0.00 56.93 56.21 3gpn s PHE 28 Cb -0.20 -2.24 0.10 0.00 -0.57 0.00 0.00 43.02 40.12 3gpn s PHE 28 CO 0.21 -0.58 0.56 -0.65 -0.10 0.00 0.00 175.22 174.65 3gpn s GLN 29 N 1.49 3.02 -0.03 0.44 -0.21 -0.39 -0.77 119.66 123.20 3gpn s GLN 29 Ca 0.02 -1.43 -0.14 0.00 0.02 0.00 0.00 55.36 53.84 3gpn s GLN 29 Cb -0.17 -4.23 -0.05 0.00 1.00 0.00 0.00 33.01 29.55 3gpn s GLN 29 CO 0.02 -1.33 0.38 0.00 -2.12 0.00 0.00 175.29 172.24 3gpn n LYS 31 N 2.08 0.00 -0.19 0.00 2.85 -0.08 -2.10 118.16 120.72 3gpn n LYS 31 Ca -0.14 0.00 -0.08 0.00 -1.05 0.00 0.00 58.31 57.04 3gpn n LYS 31 Cb 0.53 0.00 0.06 0.00 -0.65 0.00 0.00 35.03 34.97 3gpn n LYS 31 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 177.40 178.28 3gpn h GLU 32 N 0.00 1.02 -0.02 -1.58 5.08 -1.88 -2.08 114.58 115.12 3gpn h GLU 32 Ca 0.00 -0.30 0.00 0.00 -1.00 0.00 0.00 59.36 58.06 3gpn h GLU 32 Cb 0.00 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.15 3gpn h GLU 32 CO 0.00 0.99 0.00 -0.40 -1.00 0.00 0.00 179.01 178.60 3gpn n ASP 33 N -4.19 0.91 0.00 1.42 5.75 -1.26 -4.81 116.55 114.37 3gpn n ASP 33 Ca 0.03 -1.33 0.00 0.00 -0.01 0.00 0.00 54.79 53.48 3gpn n ASP 33 Cb 0.33 -0.01 0.00 0.00 -1.03 0.00 0.00 41.12 40.41 3gpn n ASP 33 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3gpn n GLY 34 N 1.09 0.50 3.30 6.12 0.00 -0.78 -2.36 105.19 113.06 3gpn n GLY 34 Ca 0.20 -1.94 -0.32 0.00 0.00 0.00 0.00 46.02 43.96 3gpn n GLY 34 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3gpn s ILE 35 N -1.43 2.26 0.01 -0.61 1.01 0.14 -0.90 121.20 121.68 3gpn s ILE 35 Ca 0.00 -0.99 0.07 0.00 0.00 0.00 0.00 60.65 59.73 3gpn s ILE 35 Cb 0.00 -1.84 -0.03 0.00 0.01 0.00 0.00 42.46 40.60 3gpn s ILE 35 CO 0.00 0.57 -0.20 0.27 0.00 0.00 0.00 174.94 175.58 3gpn s ILE 36 N -0.13 2.63 -0.03 2.92 -4.36 -1.09 -0.18 121.20 120.96 3gpn s ILE 36 Ca -0.04 -1.09 0.01 0.00 -0.26 0.00 0.00 60.65 59.27 3gpn s ILE 36 Cb -0.14 -2.05 0.01 0.00 1.25 0.00 0.00 42.46 41.54 3gpn s ILE 36 CO 0.04 0.44 -0.05 0.00 0.24 0.00 0.00 174.94 175.62 3gpn s ALA 37 N -0.81 0.60 -0.04 2.27 0.00 -0.92 -1.27 121.76 121.60 3gpn s ALA 37 Ca 0.13 -0.09 -0.01 0.00 0.00 0.00 0.00 51.96 51.98 3gpn s ALA 37 Cb -0.10 -0.32 0.03 0.00 0.00 0.00 0.00 23.12 22.72 3gpn s ALA 37 CO 0.03 0.03 0.08 -0.65 0.00 0.00 0.00 175.76 175.25 3gpn s GLN 38 N 0.61 0.03 0.04 0.00 -0.21 -1.26 -0.07 119.66 118.80 3gpn s GLN 38 Ca -0.08 0.26 -0.06 0.00 0.02 0.00 0.00 55.36 55.50 3gpn s GLN 38 Cb -0.11 -0.19 -0.01 0.00 1.00 0.00 0.00 33.01 33.70 3gpn s GLN 38 CO -0.00 -0.15 0.11 0.00 -2.12 0.00 0.00 175.29 173.13 3gpn s ALA 39 N 0.99 -0.11 0.06 6.09 0.00 -0.56 -4.73 121.76 123.51 3gpn s ALA 39 Ca -0.08 -0.52 0.02 0.00 0.00 0.00 0.00 51.96 51.37 3gpn s ALA 39 Cb -0.11 0.26 -0.04 0.00 0.00 0.00 0.00 23.12 23.24 3gpn s ALA 39 CO -0.04 -0.33 0.11 0.08 0.00 0.00 0.00 175.76 175.58 3gpn s VAL 40 N -2.68 4.79 0.61 0.00 1.01 -1.26 -0.56 120.40 122.31 3gpn s VAL 40 Ca -0.04 -0.60 -0.20 0.00 0.00 0.00 0.00 61.98 61.14 3gpn s VAL 40 Cb -0.01 -3.30 -0.03 0.00 0.00 0.00 0.00 36.38 33.05 3gpn s VAL 40 CO -0.05 0.17 1.33 -0.62 0.00 0.00 0.00 175.10 175.93 3gpn s ASP 41 N -2.30 4.85 0.25 3.32 2.15 0.31 -4.89 116.67 120.35 3gpn s ASP 41 Ca 0.30 2.71 -0.07 0.00 0.43 0.00 0.00 52.55 55.91 3gpn s ASP 41 Cb -0.12 -2.63 0.45 0.00 -0.30 0.00 0.00 42.92 40.32 3gpn s ASP 41 CO 0.22 -1.85 1.62 0.44 -0.17 0.00 0.00 175.17 175.43 3gpn h ASP 42 N 0.92 -0.45 -0.11 -0.34 3.32 -1.89 0.48 116.42 118.35 3gpn h ASP 42 Ca -0.51 0.22 0.00 0.00 0.02 0.00 0.00 57.03 56.76 3gpn h ASP 42 Cb 1.32 0.40 0.00 0.00 0.22 0.00 0.00 39.33 41.27 3gpn h ASP 42 CO 0.55 -0.22 0.00 -1.20 -1.72 0.00 0.00 179.24 176.65 3gpn n SER 43 N -5.40 0.68 -1.62 6.45 7.64 -1.26 -4.88 113.62 115.23 3gpn n SER 43 Ca 0.14 -1.81 -0.13 0.00 1.01 0.00 0.00 58.87 58.08 3gpn n SER 43 Cb 0.49 -0.07 -0.04 0.00 -1.01 0.00 0.00 64.21 63.58 3gpn n SER 43 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 3gpn n ARG 44 N -0.21 -1.49 0.03 1.43 1.74 0.16 -4.83 116.66 113.48 3gpn n ARG 44 Ca 0.09 0.72 -0.20 0.00 -0.77 0.00 0.00 57.85 57.69 3gpn n ARG 44 Cb 0.13 -5.05 -0.14 0.00 -1.02 0.00 0.00 32.46 26.38 3gpn n ARG 44 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 3gpn h VAL 45 N 0.00 0.81 -3.24 1.55 2.07 -1.90 -3.46 116.25 112.09 3gpn h VAL 45 Ca -0.27 -2.49 -0.66 0.00 0.82 0.00 0.00 66.70 64.09 3gpn h VAL 45 Cb 0.93 2.61 -0.31 0.00 -1.52 0.00 0.00 31.29 33.00 3gpn h VAL 45 CO 0.38 0.84 -0.79 -0.22 0.02 0.00 0.00 177.57 177.80 3gpn s LEU 46 N -7.02 2.53 -0.17 2.57 0.20 -1.26 -3.18 118.68 112.35 3gpn s LEU 46 Ca -0.17 -0.51 -0.07 0.00 0.69 0.00 0.00 54.13 54.07 3gpn s LEU 46 Cb 0.06 -1.62 -0.04 0.00 -0.43 0.00 0.00 46.19 44.17 3gpn s LEU 46 CO 0.81 -0.01 0.07 -0.76 -0.29 0.00 0.00 176.35 176.18 3gpn s LEU 47 N 1.38 3.90 -0.02 -0.68 1.02 -0.56 0.11 118.68 123.84 3gpn s LEU 47 Ca 0.05 0.14 0.02 0.00 0.02 0.00 0.00 54.13 54.36 3gpn s LEU 47 Cb -0.14 -1.98 -0.03 0.00 0.02 0.00 0.00 46.19 44.06 3gpn s LEU 47 CO -0.08 0.21 -0.02 -0.69 0.02 0.00 0.00 176.35 175.79 3gpn s VAL 48 N 0.14 3.99 -0.18 -1.59 1.01 0.28 -0.25 120.40 123.79 3gpn s VAL 48 Ca 0.05 -0.60 -0.04 0.00 0.00 0.00 0.00 61.98 61.40 3gpn s VAL 48 Cb -0.12 -2.74 0.09 0.00 0.00 0.00 0.00 36.38 33.61 3gpn s VAL 48 CO 0.00 0.43 0.28 -0.55 0.00 0.00 0.00 175.10 175.26 3gpn s SER 49 N -1.37 0.63 -0.09 3.32 0.15 -0.14 -1.49 113.70 114.72 3gpn s SER 49 Ca 0.17 0.28 -0.02 0.00 0.70 0.00 0.00 55.95 57.09 3gpn s SER 49 Cb -0.11 0.71 -0.03 0.00 -1.71 0.00 0.00 66.02 64.87 3gpn s SER 49 CO 0.08 -0.28 -0.01 -0.22 1.20 0.00 0.00 173.24 174.01 3gpn s LEU 50 N 2.42 3.48 -0.14 3.45 2.96 0.90 0.01 118.68 131.75 3gpn s LEU 50 Ca 0.05 0.08 0.01 0.00 -0.22 0.00 0.00 54.13 54.05 3gpn s LEU 50 Cb -0.14 -1.80 0.02 0.00 0.50 0.00 0.00 46.19 44.77 3gpn s LEU 50 CO -0.11 0.34 -0.15 -1.61 -1.32 0.00 0.00 176.35 173.50 3gpn s GLU 51 N -0.68 2.37 -0.22 1.98 2.02 -0.74 -2.16 118.70 121.26 3gpn s GLU 51 Ca 0.11 -0.59 0.01 0.00 0.02 0.00 0.00 54.97 54.52 3gpn s GLU 51 Cb -0.12 -2.12 0.03 0.00 0.10 0.00 0.00 34.13 32.03 3gpn s GLU 51 CO 0.02 -0.19 -0.14 0.42 0.02 0.00 0.00 175.26 175.39 3gpn s ILE 52 N 1.35 2.29 0.70 -1.63 1.01 0.74 -1.32 121.20 124.35 3gpn s ILE 52 Ca 0.02 -1.20 -0.10 0.00 0.00 0.00 0.00 60.65 59.38 3gpn s ILE 52 Cb -0.13 -2.14 0.03 0.00 0.01 0.00 0.00 42.46 40.22 3gpn s ILE 52 CO -0.09 0.27 1.06 -0.83 0.00 0.00 0.00 174.94 175.35 3gpn s GLY 53 N 1.23 1.62 0.30 6.18 0.00 -0.48 -0.68 107.32 115.50 3gpn s GLY 53 Ca -0.01 -0.51 0.04 0.00 0.00 0.00 0.00 44.72 44.24 3gpn s GLY 53 CO -0.08 -0.13 1.63 -2.08 0.00 0.00 0.00 173.10 172.44 3gpn h VAL 54 N -0.62 0.25 0.00 1.40 2.07 -1.78 -1.42 116.25 116.15 3gpn h VAL 54 Ca -0.45 -0.06 0.00 0.00 0.82 0.00 0.00 66.70 67.01 3gpn h VAL 54 Cb 1.27 0.06 0.00 0.00 -1.52 0.00 0.00 31.29 31.10 3gpn h VAL 54 CO 0.63 0.03 0.00 -0.08 0.02 0.00 0.00 177.57 178.17 3gpn h GLU 55 N 0.17 0.00 0.00 1.57 4.57 -1.89 -2.26 114.58 116.74 3gpn h GLU 55 Ca 0.59 0.00 -0.05 0.00 -1.18 0.00 0.00 59.36 58.72 3gpn h GLU 55 Cb 1.23 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.82 3gpn h GLU 55 CO -0.70 0.00 -0.25 0.00 -1.18 0.00 0.00 179.01 176.88 3gpn h ALA 56 N 2.07 0.89 -2.36 2.92 0.00 -1.47 -3.46 119.26 117.84 3gpn h ALA 56 Ca 0.00 -0.23 -0.50 0.00 0.00 0.00 0.00 54.91 54.18 3gpn h ALA 56 Cb 0.15 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 3gpn h ALA 56 CO 0.00 0.31 -0.27 -0.06 0.00 0.00 0.00 179.25 179.23 3gpn s PHE 57 N -3.28 3.48 0.04 0.00 0.08 -0.85 -4.84 117.98 112.61 3gpn s PHE 57 Ca 0.04 0.33 -0.21 0.00 0.12 0.00 0.00 56.93 57.21 3gpn s PHE 57 Cb 0.08 -1.86 -0.14 0.00 -0.57 0.00 0.00 43.02 40.52 3gpn s PHE 57 CO 0.68 0.27 1.40 0.37 -0.10 0.00 0.00 175.22 177.84 3gpn h GLN 58 N 1.39 0.27 -2.78 0.44 4.15 -1.44 -3.46 115.11 113.68 3gpn h GLN 58 Ca -0.49 -0.11 -0.12 0.00 0.77 0.00 0.00 58.65 58.70 3gpn h GLN 58 Cb 1.21 -0.01 -0.23 0.00 0.21 0.00 0.00 27.48 28.65 3gpn h GLN 58 CO 0.64 0.59 -0.23 -1.83 -1.93 0.00 0.00 178.83 176.07 3gpn s GLU 59 N -4.63 0.52 -0.03 1.69 -1.05 -1.23 -5.05 118.70 108.92 3gpn s GLU 59 Ca -0.14 0.43 -0.03 0.00 -0.15 0.00 0.00 54.97 55.08 3gpn s GLU 59 Cb 0.05 0.25 0.01 0.00 -0.44 0.00 0.00 34.13 34.00 3gpn s GLU 59 CO 0.72 -0.08 0.09 -0.47 0.95 0.00 0.00 175.26 176.47 3gpn s TYR 60 N -0.07 -0.10 -0.16 4.83 5.04 -1.26 -1.39 117.35 124.23 3gpn s TYR 60 Ca -0.02 0.24 -0.06 0.00 -2.44 0.00 0.00 57.07 54.79 3gpn s TYR 60 Cb -0.03 0.03 0.08 0.00 0.35 0.00 0.00 41.96 42.39 3gpn s TYR 60 CO 0.01 -0.05 0.34 0.50 -1.34 0.00 0.00 175.55 175.02 3gpn s ARG 61 N 0.06 0.24 -0.30 4.97 3.52 0.17 -4.98 118.95 122.64 3gpn s ARG 61 Ca -0.00 0.88 0.02 0.00 -0.13 0.00 0.00 55.73 56.49 3gpn s ARG 61 Cb -0.01 0.13 0.15 0.00 -1.56 0.00 0.00 34.95 33.67 3gpn s ARG 61 CO 0.00 -0.26 0.38 0.00 -0.81 0.00 0.00 175.30 174.61 3gpn h ASP 63 N 8.07 0.71 -3.87 0.00 3.32 -1.91 -3.23 116.42 119.51 3gpn h ASP 63 Ca -0.08 -0.89 -0.69 0.00 0.02 0.00 0.00 57.03 55.39 3gpn h ASP 63 Cb 1.10 -0.23 -0.30 0.00 0.22 0.00 0.00 39.33 40.12 3gpn h ASP 63 CO 0.28 1.73 -0.85 -1.00 -1.72 0.00 0.00 179.24 177.67 3gpn s HIS 64 N -2.59 2.54 0.01 4.55 3.76 -1.26 -4.85 115.29 117.44 3gpn s HIS 64 Ca -0.12 -0.66 -0.38 0.00 -0.15 0.00 0.00 55.06 53.75 3gpn s HIS 64 Cb 0.05 -1.65 -0.17 0.00 1.11 0.00 0.00 32.58 31.92 3gpn s HIS 64 CO 0.90 -0.18 1.33 -2.30 -0.85 0.00 0.00 174.74 173.64 3gpn n PRO 65 N 2.99 0.87 -4.28 8.40 -0.02 -1.26 -4.86 135.00 136.84 3gpn n PRO 65 Ca -0.18 0.32 -0.18 0.00 -2.02 0.00 0.00 63.50 61.44 3gpn n PRO 65 Cb 0.52 -1.93 -0.13 0.00 -0.02 0.00 0.00 33.50 31.94 3gpn n PRO 65 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 3gpn s VAL 66 N 0.78 0.86 -0.24 -1.45 -7.23 -0.89 -5.02 120.40 107.21 3gpn s VAL 66 Ca 0.88 -0.83 -0.07 0.00 -1.81 0.00 0.00 61.98 60.15 3gpn s VAL 66 Cb -1.05 -0.79 -0.03 0.00 0.56 0.00 0.00 36.38 35.07 3gpn s VAL 66 CO 0.52 -0.02 0.06 -0.89 -0.31 0.00 0.00 175.10 174.46 3gpn s THR 67 N -0.76 4.36 -0.51 5.32 2.01 -1.26 -0.98 115.64 123.81 3gpn s THR 67 Ca -0.00 -0.16 -0.08 0.00 0.31 0.00 0.00 61.69 61.76 3gpn s THR 67 Cb -0.07 -3.02 0.13 0.00 0.01 0.00 0.00 72.50 69.55 3gpn s THR 67 CO 0.01 0.36 0.37 -0.76 -0.69 0.00 0.00 174.62 173.91 3gpn s LEU 68 N 1.38 5.65 -0.34 4.42 1.02 0.05 -4.91 118.68 125.95 3gpn s LEU 68 Ca 0.05 -2.14 -0.23 0.00 0.02 0.00 0.00 54.13 51.84 3gpn s LEU 68 Cb -0.15 -1.98 0.00 0.00 0.02 0.00 0.00 46.19 44.09 3gpn s LEU 68 CO 0.03 -0.61 0.76 -0.83 0.02 0.00 0.00 176.35 175.71 3gpn s GLY 69 N 2.21 1.69 0.00 -3.19 0.00 -1.26 -0.71 107.32 106.07 3gpn s GLY 69 Ca 0.09 -0.59 0.01 0.00 0.00 0.00 0.00 44.72 44.22 3gpn s GLY 69 CO -0.02 1.70 -0.04 -3.16 0.00 0.00 0.00 173.10 171.58 3gpn s MET 70 N 2.96 0.29 -0.14 2.90 0.23 -0.50 -0.91 119.30 124.13 3gpn s MET 70 Ca 0.30 -0.23 -0.29 0.00 -1.03 0.00 0.00 55.69 54.44 3gpn s MET 70 Cb -0.14 -0.22 -0.03 0.00 -1.53 0.00 0.00 34.83 32.92 3gpn s MET 70 CO 0.15 0.06 1.40 0.34 -2.03 0.00 0.00 175.02 174.94 3gpn s ASP 71 N -0.37 6.81 0.50 -1.18 -1.08 -1.26 -2.71 116.67 117.37 3gpn s ASP 71 Ca -0.02 1.82 0.29 0.00 -0.52 0.00 0.00 52.55 54.12 3gpn s ASP 71 Cb -0.03 -2.54 0.92 0.00 -1.46 0.00 0.00 42.92 39.82 3gpn s ASP 71 CO -0.00 -0.86 1.82 -0.07 0.52 0.00 0.00 175.17 176.58 3gpn h LEU 72 N 10.08 0.00 -0.00 -1.34 3.38 -0.88 0.18 115.31 126.72 3gpn h LEU 72 Ca -0.31 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.66 3gpn h LEU 72 Cb 1.13 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.88 3gpn h LEU 72 CO 0.97 0.02 -0.00 0.74 0.09 0.00 0.00 178.44 180.26 3gpn h THR 73 N 0.00 1.44 0.15 0.22 2.02 -1.89 -1.58 112.91 113.26 3gpn h THR 73 Ca -0.00 -1.29 0.01 0.00 0.77 0.00 0.00 66.41 65.90 3gpn h THR 73 Cb 0.73 2.31 -0.02 0.00 -1.74 0.00 0.00 68.15 69.43 3gpn h THR 73 CO 0.00 0.33 -0.20 0.28 0.37 0.00 0.00 175.52 176.31 3gpn h SER 74 N -0.54 -0.54 -0.91 4.18 0.02 -1.89 -2.53 113.55 111.32 3gpn h SER 74 Ca 0.00 0.06 0.12 0.00 -0.84 0.00 0.00 61.79 61.12 3gpn h SER 74 Cb 0.55 0.20 -0.08 0.00 0.14 0.00 0.00 62.40 63.20 3gpn h SER 74 CO 0.00 -0.29 0.54 0.25 -1.14 0.00 0.00 176.83 176.20 3gpn h LEU 75 N -0.40 0.77 -0.92 5.07 5.85 -0.69 -1.87 115.31 123.13 3gpn h LEU 75 Ca 0.02 0.05 -0.09 0.00 0.84 0.00 0.00 57.88 58.70 3gpn h LEU 75 Cb 0.40 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.32 3gpn h LEU 75 CO -0.08 0.41 -0.14 -1.28 -0.34 0.00 0.00 178.44 177.01 3gpn h SER 76 N 0.86 0.63 -0.01 1.25 0.87 -1.10 -1.14 113.55 114.92 3gpn h SER 76 Ca 0.46 -0.19 -0.09 0.00 -1.23 0.00 0.00 61.79 60.74 3gpn h SER 76 Cb 0.47 -0.17 -0.01 0.00 -0.44 0.00 0.00 62.40 62.25 3gpn h SER 76 CO -0.27 0.79 -0.24 0.11 -0.53 0.00 0.00 176.83 176.69 3gpn h LYS 77 N 0.58 0.41 -0.19 2.24 1.57 -0.92 -1.55 116.57 118.72 3gpn h LYS 77 Ca 0.10 -0.15 -0.10 0.00 -1.87 0.00 0.00 60.65 58.63 3gpn h LYS 77 Cb 0.57 -0.03 -0.00 0.00 0.08 0.00 0.00 32.23 32.85 3gpn h LYS 77 CO 0.04 0.63 -0.28 0.82 -0.57 0.00 0.00 179.45 180.09 3gpn h ILE 78 N 0.37 1.34 0.00 1.86 2.04 -1.10 -3.23 117.51 118.78 3gpn h ILE 78 Ca 0.06 -1.49 -0.01 0.00 1.00 0.00 0.00 64.86 64.41 3gpn h ILE 78 Cb 0.63 1.85 -0.00 0.00 -0.74 0.00 0.00 36.82 38.55 3gpn h ILE 78 CO 0.04 0.45 -0.06 -0.07 0.00 0.00 0.00 178.15 178.52 3gpn h LEU 79 N 0.18 0.00 -1.38 1.44 4.07 -1.02 -2.39 115.31 116.21 3gpn h LEU 79 Ca 0.02 0.00 -0.02 0.00 0.08 0.00 0.00 57.88 57.96 3gpn h LEU 79 Cb 0.86 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 42.57 3gpn h LEU 79 CO 0.06 0.06 0.22 -0.09 -1.08 0.00 0.00 178.44 177.62 3gpn h ARG 80 N 0.00 0.64 0.00 1.13 2.43 -1.30 -2.73 114.38 114.55 3gpn h ARG 80 Ca -0.00 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.10 3gpn h ARG 80 Cb 0.21 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 29.64 3gpn h ARG 80 CO 0.01 0.50 0.00 0.00 -1.51 0.00 0.00 179.97 178.97 3gpn s GLY 82 N -2.96 2.35 0.00 0.00 0.00 -1.03 -4.98 107.32 100.69 3gpn s GLY 82 Ca 0.06 -0.30 0.16 0.00 0.00 0.00 0.00 44.72 44.64 3gpn s GLY 82 CO 0.21 -0.09 1.44 0.70 0.00 0.00 0.00 173.10 175.37 3gpn n ASN 83 N 0.52 0.00 0.00 1.64 4.13 -1.26 -4.82 115.26 115.47 3gpn n ASN 83 Ca -0.04 -1.04 0.00 0.00 1.68 0.00 0.00 54.58 55.18 3gpn n ASN 83 Cb 0.52 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.76 3gpn n ASN 83 CO 0.00 0.00 0.00 -3.20 0.28 0.00 0.00 177.26 174.34 3gpn n ASN 84 N -0.82 0.00 0.00 6.41 5.15 -1.26 -4.48 115.26 120.26 3gpn n ASN 84 Ca 0.12 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.10 3gpn n ASN 84 Cb 0.05 -0.15 0.00 0.00 -0.53 0.00 0.00 39.78 39.15 3gpn n ASN 84 CO 0.00 0.00 0.00 1.07 1.40 0.00 0.00 177.26 179.73 3gpn n THR 85 N -2.00 0.00 -0.68 -0.44 5.66 -1.26 -3.55 114.28 112.01 3gpn n THR 85 Ca 0.00 -0.24 -0.29 0.00 -3.05 0.00 0.00 64.05 60.46 3gpn n THR 85 Cb 0.00 1.17 0.25 0.00 -1.55 0.00 0.00 70.33 70.20 3gpn n THR 85 CO 0.00 0.00 0.00 -1.81 -3.05 0.00 0.00 175.07 170.21 3gpn s ASP 86 N -0.33 0.60 -0.08 1.09 1.01 -1.26 -4.68 116.67 113.02 3gpn s ASP 86 Ca 0.00 1.13 -0.21 0.00 0.71 0.00 0.00 52.55 54.18 3gpn s ASP 86 Cb 0.00 -1.71 -0.04 0.00 1.01 0.00 0.00 42.92 42.18 3gpn s ASP 86 CO 0.00 -4.38 0.61 -0.89 0.21 0.00 0.00 175.17 170.72 3gpn s THR 87 N -2.57 5.09 -0.20 -1.27 2.01 0.40 -0.75 115.64 118.34 3gpn s THR 87 Ca 0.68 1.25 -0.03 0.00 0.31 0.00 0.00 61.69 63.91 3gpn s THR 87 Cb -0.19 -3.95 -0.01 0.00 0.01 0.00 0.00 72.50 68.36 3gpn s THR 87 CO 0.61 0.29 -0.06 -0.22 -0.69 0.00 0.00 174.62 174.55 3gpn s LEU 88 N 0.66 2.90 -0.16 4.42 2.96 -0.99 -1.59 118.68 126.88 3gpn s LEU 88 Ca 0.33 -0.36 0.02 0.00 -0.22 0.00 0.00 54.13 53.90 3gpn s LEU 88 Cb -0.17 -1.72 0.01 0.00 0.50 0.00 0.00 46.19 44.81 3gpn s LEU 88 CO 0.15 0.03 -0.21 -0.89 -1.32 0.00 0.00 176.35 174.11 3gpn s THR 89 N 1.19 2.12 -0.11 3.68 2.01 -0.61 0.08 115.64 124.01 3gpn s THR 89 Ca 0.02 -0.94 -0.14 0.00 0.31 0.00 0.00 61.69 60.94 3gpn s THR 89 Cb -0.14 -1.87 -0.05 0.00 0.01 0.00 0.00 72.50 70.45 3gpn s THR 89 CO -0.01 0.54 0.33 -0.76 -0.69 0.00 0.00 174.62 174.02 3gpn s LEU 90 N 0.98 4.32 -0.04 4.42 1.43 1.00 -1.50 118.68 129.28 3gpn s LEU 90 Ca -0.03 0.65 0.01 0.00 -1.03 0.00 0.00 54.13 53.73 3gpn s LEU 90 Cb -0.15 -2.43 0.02 0.00 0.03 0.00 0.00 46.19 43.66 3gpn s LEU 90 CO -0.05 0.17 -0.04 -0.63 0.23 0.00 0.00 176.35 176.02 3gpn s ILE 91 N -0.02 0.50 -0.08 -0.59 1.01 -0.25 -1.46 121.20 120.31 3gpn s ILE 91 Ca 0.19 -0.12 -0.08 0.00 0.00 0.00 0.00 60.65 60.63 3gpn s ILE 91 Cb -0.14 -0.51 0.02 0.00 0.01 0.00 0.00 42.46 41.84 3gpn s ILE 91 CO 0.07 0.21 0.23 0.00 0.00 0.00 0.00 174.94 175.45 3gpn s ALA 92 N 0.77 -0.58 0.99 9.38 0.00 -1.04 -1.27 121.76 130.00 3gpn s ALA 92 Ca -0.10 0.62 -0.13 0.00 0.00 0.00 0.00 51.96 52.35 3gpn s ALA 92 Cb -0.13 -0.35 0.18 0.00 0.00 0.00 0.00 23.12 22.82 3gpn s ALA 92 CO 0.00 -0.12 1.06 -0.40 0.00 0.00 0.00 175.76 176.30 3gpn n ASP 93 N 2.83 0.11 -0.00 0.00 5.75 -1.26 -0.85 116.55 123.12 3gpn n ASP 93 Ca -0.13 -1.40 -0.00 0.00 -0.01 0.00 0.00 54.79 53.24 3gpn n ASP 93 Cb 0.58 -0.81 -0.00 0.00 -1.03 0.00 0.00 41.12 39.86 3gpn n ASP 93 CO 0.00 0.00 0.00 -1.13 -0.11 0.00 0.00 177.20 175.96 3gpn h ASN 94 N -1.38 -0.02 -3.44 -1.12 -0.73 -1.99 -3.32 115.58 103.57 3gpn h ASN 94 Ca -0.34 0.00 -0.71 0.00 1.87 0.00 0.00 56.30 57.12 3gpn h ASN 94 Cb 0.95 0.01 -0.32 0.00 0.27 0.00 0.00 38.32 39.23 3gpn h ASN 94 CO 0.24 -0.01 -0.50 0.42 -0.37 0.00 0.00 177.43 177.22 3gpn s THR 95 N -3.03 3.64 -0.03 -3.57 -4.23 -1.26 -4.86 115.64 102.30 3gpn s THR 95 Ca -0.00 -1.89 -0.19 0.00 -1.18 0.00 0.00 61.69 58.43 3gpn s THR 95 Cb 0.00 -3.42 -0.05 0.00 1.34 0.00 0.00 72.50 70.37 3gpn s THR 95 CO 0.01 -0.68 0.54 -2.16 -0.54 0.00 0.00 174.62 171.79 3gpn s PRO 96 N 1.24 4.27 0.05 3.99 0.05 -1.25 -4.94 135.00 138.40 3gpn s PRO 96 Ca 0.06 0.62 0.22 0.00 0.05 0.00 0.00 61.00 61.95 3gpn s PRO 96 Cb -0.24 -3.35 -0.22 0.00 0.05 0.00 0.00 34.50 30.75 3gpn s PRO 96 CO -0.02 0.36 0.68 -0.25 0.05 0.00 0.00 177.00 177.81 3gpn n ASP 97 N 2.84 0.31 -3.95 6.66 8.00 -1.26 -4.91 116.55 124.24 3gpn n ASP 97 Ca -0.08 0.12 -0.09 0.00 0.71 0.00 0.00 54.79 55.45 3gpn n ASP 97 Cb 0.51 1.42 -0.09 0.00 -0.02 0.00 0.00 41.12 42.95 3gpn n ASP 97 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 3gpn s SER 98 N -4.84 0.24 0.13 -2.24 0.01 -1.26 -1.22 113.70 104.52 3gpn s SER 98 Ca -0.05 -0.68 0.11 0.00 1.31 0.00 0.00 55.95 56.63 3gpn s SER 98 Cb 0.12 0.25 -0.04 0.00 0.21 0.00 0.00 66.02 66.56 3gpn s SER 98 CO 0.87 -0.59 -0.26 -0.51 0.41 0.00 0.00 173.24 173.15 3gpn s ILE 99 N -3.27 2.31 -0.11 1.44 2.07 0.37 -4.68 121.20 119.33 3gpn s ILE 99 Ca 0.01 -1.75 0.03 0.00 -1.41 0.00 0.00 60.65 57.53 3gpn s ILE 99 Cb 0.03 -2.03 0.00 0.00 0.13 0.00 0.00 42.46 40.60 3gpn s ILE 99 CO -0.08 0.09 -0.22 -0.63 -1.91 0.00 0.00 174.94 172.18 3gpn s ILE 100 N -1.08 1.99 -0.16 2.00 1.01 -0.40 -0.38 121.20 124.17 3gpn s ILE 100 Ca 0.14 -0.97 -0.01 0.00 0.00 0.00 0.00 60.65 59.82 3gpn s ILE 100 Cb -0.10 -1.74 -0.00 0.00 0.01 0.00 0.00 42.46 40.63 3gpn s ILE 100 CO 0.06 0.54 -0.13 -0.76 0.00 0.00 0.00 174.94 174.65 3gpn s LEU 101 N 0.52 2.58 -0.26 2.97 1.02 -0.50 -1.09 118.68 123.92 3gpn s LEU 101 Ca -0.15 -0.43 0.00 0.00 0.02 0.00 0.00 54.13 53.57 3gpn s LEU 101 Cb -0.17 -1.60 0.08 0.00 0.02 0.00 0.00 46.19 44.52 3gpn s LEU 101 CO 0.05 0.08 0.01 -0.22 0.02 0.00 0.00 176.35 176.29 3gpn s LEU 102 N 0.85 2.58 -0.06 1.79 2.96 -0.57 -0.66 118.68 125.57 3gpn s LEU 102 Ca -0.04 -1.38 -0.19 0.00 -0.22 0.00 0.00 54.13 52.30 3gpn s LEU 102 Cb -0.15 -1.07 -0.05 0.00 0.50 0.00 0.00 46.19 45.42 3gpn s LEU 102 CO -0.00 -0.31 0.54 -0.36 -1.32 0.00 0.00 176.35 174.89 3gpn s PHE 103 N 1.45 3.60 -0.03 5.38 0.08 0.11 -1.57 117.98 127.01 3gpn s PHE 103 Ca 0.01 1.05 -0.02 0.00 0.12 0.00 0.00 56.93 58.09 3gpn s PHE 103 Cb -0.18 -2.57 0.01 0.00 -0.57 0.00 0.00 43.02 39.71 3gpn s PHE 103 CO -0.12 0.28 0.07 -2.00 -0.10 0.00 0.00 175.22 173.35 3gpn s GLU 104 N 0.16 0.07 -0.30 0.44 2.12 -0.62 0.23 118.70 120.80 3gpn s GLU 104 Ca 0.29 0.13 -0.01 0.00 0.36 0.00 0.00 54.97 55.75 3gpn s GLU 104 Cb -0.17 -0.01 0.10 0.00 0.26 0.00 0.00 34.13 34.31 3gpn s GLU 104 CO 0.14 -0.04 0.08 0.34 -0.54 0.00 0.00 175.26 175.24 3gpn s ASP 105 N 0.26 4.01 0.53 -1.70 2.15 0.28 -0.45 116.67 121.75 3gpn s ASP 105 Ca -0.02 -1.61 0.21 0.00 0.43 0.00 0.00 52.55 51.57 3gpn s ASP 105 Cb -0.03 -0.91 1.43 0.00 -0.30 0.00 0.00 42.92 43.11 3gpn s ASP 105 CO -0.01 -0.40 2.15 0.71 -0.17 0.00 0.00 175.17 177.46 3gpn h THR 106 N 6.51 0.83 0.77 1.71 1.35 -1.96 -1.00 112.91 121.12 3gpn h THR 106 Ca -0.13 -0.14 -0.04 0.00 -0.55 0.00 0.00 66.41 65.54 3gpn h THR 106 Cb 1.02 1.08 0.01 0.00 -1.73 0.00 0.00 68.15 68.53 3gpn h THR 106 CO 0.46 0.04 -0.37 0.11 -0.25 0.00 0.00 175.52 175.51 3gpn h LYS 107 N 0.00 -1.00 -0.00 4.72 1.57 -1.95 -3.26 116.57 116.65 3gpn h LYS 107 Ca -0.00 0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.85 3gpn h LYS 107 Cb 0.08 0.23 0.00 0.00 0.08 0.00 0.00 32.23 32.62 3gpn h LYS 107 CO 0.01 -0.65 -0.04 1.63 -0.57 0.00 0.00 179.45 179.83 3gpn n LYS 108 N -5.49 0.56 -2.77 3.15 4.76 -1.16 -4.91 118.16 112.30 3gpn n LYS 108 Ca -0.14 -0.07 -0.21 0.00 -2.87 0.00 0.00 58.31 55.03 3gpn n LYS 108 Cb 0.42 -1.50 0.01 0.00 -1.84 0.00 0.00 35.03 32.12 3gpn n LYS 108 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 3gpn n ASP 109 N -1.16 -5.51 -4.82 4.39 8.00 -0.40 -5.00 116.55 112.05 3gpn n ASP 109 Ca 0.15 -0.14 -0.36 0.00 0.71 0.00 0.00 54.79 55.15 3gpn n ASP 109 Cb 0.24 -4.53 -0.07 0.00 -0.02 0.00 0.00 41.12 36.74 3gpn n ASP 109 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 3gpn s ARG 110 N -5.43 3.50 -0.02 -1.24 0.52 -1.05 -5.00 118.95 110.24 3gpn s ARG 110 Ca 0.17 -0.19 0.02 0.00 -0.52 0.00 0.00 55.73 55.21 3gpn s ARG 110 Cb -0.08 -3.17 0.00 0.00 0.52 0.00 0.00 34.95 32.23 3gpn s ARG 110 CO 0.21 0.68 -0.05 -1.50 0.02 0.00 0.00 175.30 174.67 3gpn s ILE 111 N -0.77 0.46 -0.00 1.52 1.10 -1.26 -0.55 121.20 121.69 3gpn s ILE 111 Ca 0.13 -0.19 -0.04 0.00 -0.51 0.00 0.00 60.65 60.04 3gpn s ILE 111 Cb -0.12 -0.42 -0.00 0.00 0.15 0.00 0.00 42.46 42.07 3gpn s ILE 111 CO 0.03 0.16 0.08 0.00 -2.11 0.00 0.00 174.94 173.10 3gpn s ALA 112 N 0.22 -0.19 0.01 1.50 0.00 0.14 -5.00 121.76 118.44 3gpn s ALA 112 Ca -0.02 -0.16 0.00 0.00 0.00 0.00 0.00 51.96 51.78 3gpn s ALA 112 Cb -0.06 0.06 -0.01 0.00 0.00 0.00 0.00 23.12 23.10 3gpn s ALA 112 CO -0.00 -0.16 -0.02 0.20 0.00 0.00 0.00 175.76 175.78 3gpn s GLY 113 N -1.07 0.15 0.10 0.00 0.00 -1.26 0.03 107.32 105.28 3gpn s GLY 113 Ca -0.12 -0.26 0.03 0.00 0.00 0.00 0.00 44.72 44.38 3gpn s GLY 113 CO 0.01 -0.28 -0.09 -0.19 0.00 0.00 0.00 173.10 172.55 3gpn s TYR 114 N -0.52 1.01 -0.10 1.90 1.51 0.17 -5.00 117.35 116.32 3gpn s TYR 114 Ca -0.05 -0.71 0.03 0.00 -1.01 0.00 0.00 57.07 55.34 3gpn s TYR 114 Cb -0.04 -0.56 0.00 0.00 -0.11 0.00 0.00 41.96 41.26 3gpn s TYR 114 CO -0.00 -0.03 -0.22 0.45 -1.11 0.00 0.00 175.55 174.64 3gpn s SER 115 N -2.58 2.90 -0.15 2.29 0.15 -1.26 -1.41 113.70 113.64 3gpn s SER 115 Ca 0.07 -0.53 0.02 0.00 0.70 0.00 0.00 55.95 56.20 3gpn s SER 115 Cb -0.01 -1.33 0.01 0.00 -1.71 0.00 0.00 66.02 62.98 3gpn s SER 115 CO -0.01 0.12 -0.20 -0.22 1.20 0.00 0.00 173.24 174.13 3gpn s LEU 116 N 0.52 2.18 -0.09 3.45 2.96 0.48 -4.97 118.68 123.22 3gpn s LEU 116 Ca -0.15 -0.59 -0.29 0.00 -0.22 0.00 0.00 54.13 52.87 3gpn s LEU 116 Cb -0.17 -1.48 -0.05 0.00 0.50 0.00 0.00 46.19 45.00 3gpn s LEU 116 CO 0.05 0.06 1.64 -0.75 -1.32 0.00 0.00 176.35 176.03 3gpn s LYS 117 N 0.94 4.11 0.65 1.98 2.36 -1.26 -0.48 119.74 128.04 3gpn s LYS 117 Ca -0.04 2.08 -0.13 0.00 -2.55 0.00 0.00 55.97 55.33 3gpn s LYS 117 Cb -0.15 -3.99 -0.01 0.00 -1.05 0.00 0.00 37.83 32.63 3gpn s LYS 117 CO -0.04 -0.93 1.06 -0.51 1.55 0.00 0.00 175.35 176.48 3gpn s LEU 118 N 4.26 3.30 0.12 5.43 1.43 -0.36 -4.81 118.68 128.06 3gpn s LEU 118 Ca 0.73 1.75 0.02 0.00 -1.03 0.00 0.00 54.13 55.59 3gpn s LEU 118 Cb -0.31 -4.52 -0.04 0.00 0.03 0.00 0.00 46.19 41.35 3gpn s LEU 118 CO 0.29 -1.38 -0.06 0.00 0.23 0.00 0.00 176.35 175.43 3gpn s MET 119 N -4.54 0.94 -0.60 1.70 0.23 -0.09 -4.87 119.30 112.07 3gpn s MET 119 Ca 0.61 -1.40 -0.24 0.00 -1.03 0.00 0.00 55.69 53.63 3gpn s MET 119 Cb -0.15 -0.29 0.05 0.00 -1.53 0.00 0.00 34.83 32.90 3gpn s MET 119 CO 0.46 -0.03 1.00 0.34 -2.03 0.00 0.00 175.02 174.76 3gpn s ASP 120 N -3.09 6.29 -0.05 -1.18 -1.08 -1.26 -4.12 116.67 112.17 3gpn s ASP 120 Ca 0.15 -0.48 -0.15 0.00 -0.52 0.00 0.00 52.55 51.56 3gpn s ASP 120 Cb 0.05 -2.45 -0.31 0.00 -1.46 0.00 0.00 42.92 38.75 3gpn s ASP 120 CO -0.02 -1.36 0.73 0.40 0.52 0.00 0.00 175.17 175.44 3gpn h ILE 121 N 6.02 1.11 -5.91 4.11 5.03 -1.96 -3.49 117.51 122.41 3gpn h ILE 121 Ca -0.27 -2.52 -0.38 0.00 -0.12 0.00 0.00 64.86 61.57 3gpn h ILE 121 Cb 1.07 2.86 0.10 0.00 -3.03 0.00 0.00 36.82 37.82 3gpn h ILE 121 CO 1.14 0.78 -0.81 0.47 -0.68 0.00 0.00 178.15 179.05 3gpn n ASP 122 N -3.79 -1.56 -4.92 1.72 8.00 -1.26 -5.00 116.55 109.74 3gpn n ASP 122 Ca -0.22 -0.74 -0.27 0.00 0.71 0.00 0.00 54.79 54.27 3gpn n ASP 122 Cb 0.99 -4.48 0.05 0.00 -0.02 0.00 0.00 41.12 37.66 3gpn n ASP 122 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3gpn s ALA 123 N -3.55 3.19 0.25 2.24 0.00 -1.26 -5.05 121.76 117.58 3gpn s ALA 123 Ca 0.01 -0.71 -0.30 0.00 0.00 0.00 0.00 51.96 50.96 3gpn s ALA 123 Cb -0.00 -2.67 -0.09 0.00 0.00 0.00 0.00 23.12 20.36 3gpn s ALA 123 CO 0.78 -1.01 1.18 -0.51 0.00 0.00 0.00 175.76 176.20 3gpn s ASP 124 N -4.38 7.10 0.34 0.00 1.11 -1.26 -5.00 116.67 114.58 3gpn s ASP 124 Ca 0.56 2.34 -0.28 0.00 0.18 0.00 0.00 52.55 55.35 3gpn s ASP 124 Cb -0.11 -2.62 -0.12 0.00 1.07 0.00 0.00 42.92 41.14 3gpn s ASP 124 CO 0.46 -0.30 1.25 0.33 1.18 0.00 0.00 175.17 178.09 3gpn n PHE 125 N 1.63 2.15 -3.81 4.23 7.35 -1.26 -4.98 117.46 122.76 3gpn n PHE 125 Ca 0.01 0.57 -0.36 0.00 -0.76 0.00 0.00 57.45 56.91 3gpn n PHE 125 Cb 0.44 -2.39 -0.13 0.00 0.35 0.00 0.00 39.48 37.75 3gpn n PHE 125 CO 0.00 0.00 0.00 -0.51 -0.76 0.00 0.00 176.76 175.49 3gpn s LEU 126 N -0.85 3.60 -0.64 -2.13 1.02 -1.26 -5.05 118.68 113.38 3gpn s LEU 126 Ca 0.56 -0.68 -0.20 0.00 0.02 0.00 0.00 54.13 53.82 3gpn s LEU 126 Cb -0.58 -1.83 0.09 0.00 0.02 0.00 0.00 46.19 43.89 3gpn s LEU 126 CO 0.62 -0.15 0.82 -0.75 0.02 0.00 0.00 176.35 176.91 3gpn s LYS 127 N 1.47 3.10 -0.44 1.70 2.20 -1.26 -4.99 119.74 121.52 3gpn s LYS 127 Ca 0.03 -1.16 -0.10 0.00 -0.36 0.00 0.00 55.97 54.37 3gpn s LYS 127 Cb -0.17 -4.28 0.09 0.00 -1.51 0.00 0.00 37.83 31.96 3gpn s LYS 127 CO 0.01 -1.66 0.30 0.42 -0.36 0.00 0.00 175.35 174.05 3gpn s ILE 128 N 3.20 4.34 0.35 5.43 1.01 -1.26 -5.08 121.20 129.18 3gpn s ILE 128 Ca 0.17 -1.46 -0.01 0.00 0.00 0.00 0.00 60.65 59.34 3gpn s ILE 128 Cb -0.20 -3.70 -0.04 0.00 0.01 0.00 0.00 42.46 38.53 3gpn s ILE 128 CO 0.07 -0.58 0.58 -1.83 0.00 0.00 0.00 174.94 173.17 3gpn s GLU 129 N 1.43 3.52 -0.16 2.79 1.03 -1.26 -5.07 118.70 120.99 3gpn s GLU 129 Ca 0.04 -0.19 -0.23 0.00 0.03 0.00 0.00 54.97 54.62 3gpn s GLU 129 Cb -0.24 -2.63 -0.02 0.00 -0.80 0.00 0.00 34.13 30.44 3gpn s GLU 129 CO 0.02 0.12 0.70 -1.21 -1.33 0.00 0.00 175.26 173.56 3gpn s GLU 130 N -4.18 4.29 0.39 -4.83 2.02 -1.26 -5.05 118.70 110.07 3gpn s GLU 130 Ca 0.42 0.78 0.06 0.00 0.02 0.00 0.00 54.97 56.25 3gpn s GLU 130 Cb -0.10 -3.55 -0.08 0.00 0.10 0.00 0.00 34.13 30.51 3gpn s GLU 130 CO 0.36 -0.19 0.01 -0.51 0.02 0.00 0.00 175.26 174.95 3gpn s LEU 131 N 1.72 2.74 -0.12 1.80 1.43 -1.26 -5.13 118.68 119.86 3gpn s LEU 131 Ca 0.33 -1.36 -0.04 0.00 -1.03 0.00 0.00 54.13 52.02 3gpn s LEU 131 Cb -0.16 -0.81 -0.04 0.00 0.03 0.00 0.00 46.19 45.21 3gpn s LEU 131 CO 0.12 -0.47 0.04 -1.10 0.23 0.00 0.00 176.35 175.17 3gpn s GLN 132 N -3.74 3.37 0.07 1.70 -1.52 -1.26 -5.12 119.66 113.17 3gpn s GLN 132 Ca 0.35 -0.35 0.08 0.00 -1.95 0.00 0.00 55.36 53.49 3gpn s GLN 132 Cb 0.09 -2.98 -0.04 0.00 -0.22 0.00 0.00 33.01 29.87 3gpn s GLN 132 CO 0.17 0.57 -0.18 0.71 -0.25 0.00 0.00 175.29 176.31 3gpn s TYR 133 N -0.49 2.55 0.15 0.91 1.51 -1.26 -4.97 117.35 115.74 3gpn s TYR 133 Ca 0.09 -0.26 -0.15 0.00 -1.01 0.00 0.00 57.07 55.74 3gpn s TYR 133 Cb -0.12 -1.41 0.02 0.00 -0.11 0.00 0.00 41.96 40.34 3gpn s TYR 133 CO 0.02 0.31 1.73 -0.44 -1.11 0.00 0.00 175.55 176.06 3gpn h ASP 134 N 4.20 0.59 -4.55 2.29 3.32 -1.31 -3.45 116.42 117.51 3gpn h ASP 134 Ca -0.49 -0.13 -0.27 0.00 0.02 0.00 0.00 57.03 56.17 3gpn h ASP 134 Cb 1.16 -0.15 -0.23 0.00 0.22 0.00 0.00 39.33 40.33 3gpn h ASP 134 CO 0.47 0.55 -0.73 -0.44 -1.72 0.00 0.00 179.24 177.36 3gpn s SER 135 N -5.82 0.67 -0.02 6.45 0.01 -0.76 -0.18 113.70 114.03 3gpn s SER 135 Ca -0.13 -0.41 0.02 0.00 1.31 0.00 0.00 55.95 56.74 3gpn s SER 135 Cb 0.11 0.02 0.00 0.00 0.21 0.00 0.00 66.02 66.36 3gpn s SER 135 CO 0.75 -0.15 -0.08 -0.89 0.41 0.00 0.00 173.24 173.29 3gpn s THR 136 N -1.04 0.71 0.03 1.44 2.01 0.88 -0.69 115.64 118.98 3gpn s THR 136 Ca -0.08 -0.32 -0.12 0.00 0.31 0.00 0.00 61.69 61.48 3gpn s THR 136 Cb -0.08 -0.64 0.01 0.00 0.01 0.00 0.00 72.50 71.81 3gpn s THR 136 CO 0.00 0.23 0.25 -1.48 -0.69 0.00 0.00 174.62 172.93 3gpn s LEU 137 N 0.20 1.11 0.10 4.42 2.34 -0.48 0.14 118.68 126.52 3gpn s LEU 137 Ca -0.03 -0.22 0.04 0.00 0.06 0.00 0.00 54.13 53.99 3gpn s LEU 137 Cb -0.08 1.14 -0.04 0.00 -0.56 0.00 0.00 46.19 46.65 3gpn s LEU 137 CO 0.00 -0.55 -0.11 -0.94 -1.06 0.00 0.00 176.35 173.69 3gpn s SER 138 N -1.91 1.61 0.19 1.48 1.04 -0.58 -0.44 113.70 115.08 3gpn s SER 138 Ca -0.07 -0.81 -0.23 0.00 0.48 0.00 0.00 55.95 55.32 3gpn s SER 138 Cb -0.02 -0.02 0.05 0.00 0.10 0.00 0.00 66.02 66.14 3gpn s SER 138 CO -0.02 -0.22 0.75 -1.48 0.98 0.00 0.00 173.24 173.25 3gpn s LEU 139 N -2.43 -0.34 0.18 2.42 2.34 -1.05 -1.61 118.68 118.19 3gpn s LEU 139 Ca 0.06 -0.33 -0.33 0.00 0.06 0.00 0.00 54.13 53.59 3gpn s LEU 139 Cb -0.04 2.51 -0.14 0.00 -0.56 0.00 0.00 46.19 47.96 3gpn s LEU 139 CO 0.01 -1.08 1.42 -2.65 -1.06 0.00 0.00 176.35 173.00 3gpn n PRO 140 N -0.41 1.84 0.26 1.48 -0.02 -1.26 -1.54 135.00 135.35 3gpn n PRO 140 Ca -0.09 0.66 0.11 0.00 -2.02 0.00 0.00 63.50 62.17 3gpn n PRO 140 Cb 0.61 -2.33 0.73 0.00 -0.02 0.00 0.00 33.50 32.49 3gpn n PRO 140 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3gpn h SER 141 N 4.71 0.00 1.64 2.55 4.64 -0.32 -2.12 113.55 124.65 3gpn h SER 141 Ca -0.45 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 60.82 3gpn h SER 141 Cb 1.28 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.37 3gpn h SER 141 CO 0.80 0.09 -0.37 0.77 -0.87 0.00 0.00 176.83 177.25 3gpn h SER 142 N 0.00 0.00 -0.33 4.97 4.64 -1.88 -0.51 113.55 120.44 3gpn h SER 142 Ca -0.00 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 61.18 3gpn h SER 142 Cb 0.21 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.29 3gpn h SER 142 CO 0.01 0.23 -0.33 -0.08 -0.87 0.00 0.00 176.83 175.80 3gpn h GLU 143 N 0.00 0.81 -0.33 4.77 4.81 -1.76 -2.34 114.58 120.54 3gpn h GLU 143 Ca -0.01 -0.43 0.01 0.00 -0.13 0.00 0.00 59.36 58.80 3gpn h GLU 143 Cb 1.19 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 30.56 3gpn h GLU 143 CO 0.03 1.06 0.19 0.35 -0.73 0.00 0.00 179.01 179.91 3gpn h PHE 144 N 0.59 0.36 -0.42 0.92 3.57 -1.02 -2.40 116.94 118.55 3gpn h PHE 144 Ca 0.05 0.01 0.08 0.00 3.53 0.00 0.00 57.97 61.65 3gpn h PHE 144 Cb 0.91 -0.12 -0.08 0.00 2.79 0.00 0.00 35.95 39.45 3gpn h PHE 144 CO 0.07 0.22 -0.12 0.77 -2.23 0.00 0.00 178.31 177.02 3gpn h SER 145 N 0.40 -0.42 -0.48 0.41 0.02 -1.07 -1.41 113.55 111.00 3gpn h SER 145 Ca 0.13 0.13 -0.08 0.00 -0.84 0.00 0.00 61.79 61.13 3gpn h SER 145 Cb -0.00 0.27 -0.02 0.00 0.14 0.00 0.00 62.40 62.79 3gpn h SER 145 CO -0.06 -0.15 0.02 0.11 -1.14 0.00 0.00 176.83 175.62 3gpn h LYS 146 N -0.01 0.89 -0.25 3.45 1.57 -1.00 0.45 116.57 121.67 3gpn h LYS 146 Ca 0.20 -0.24 -0.03 0.00 -1.87 0.00 0.00 60.65 58.71 3gpn h LYS 146 Cb 0.32 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.52 3gpn h LYS 146 CO -0.44 0.87 0.04 0.82 -0.57 0.00 0.00 179.45 180.18 3gpn h ILE 147 N 0.83 1.23 -0.18 1.86 2.04 -1.32 -1.61 117.51 120.36 3gpn h ILE 147 Ca 0.16 -0.76 -0.04 0.00 1.00 0.00 0.00 64.86 65.22 3gpn h ILE 147 Cb 0.46 1.24 -0.01 0.00 -0.74 0.00 0.00 36.82 37.78 3gpn h ILE 147 CO 0.02 0.24 -0.05 0.58 0.00 0.00 0.00 178.15 178.94 3gpn h VAL 148 N 0.23 1.29 -0.97 1.67 2.07 -0.50 -1.30 116.25 118.75 3gpn h VAL 148 Ca 0.08 -1.03 0.03 0.00 0.82 0.00 0.00 66.70 66.59 3gpn h VAL 148 Cb 0.32 1.61 -0.05 0.00 -1.52 0.00 0.00 31.29 31.64 3gpn h VAL 148 CO 0.00 0.31 0.64 0.03 0.02 0.00 0.00 177.57 178.57 3gpn h ARG 149 N 0.05 1.21 0.23 1.57 3.08 -0.17 -1.98 114.38 118.36 3gpn h ARG 149 Ca 0.04 -0.07 -0.01 0.00 0.07 0.00 0.00 59.98 60.01 3gpn h ARG 149 Cb 0.50 -0.27 0.00 0.00 0.08 0.00 0.00 29.97 30.28 3gpn h ARG 149 CO 0.02 0.80 -0.11 0.22 -1.07 0.00 0.00 179.97 179.83 3gpn h ASP 150 N 1.24 -0.26 0.39 7.04 3.58 -1.22 -3.30 116.42 123.89 3gpn h ASP 150 Ca 0.38 -0.25 -0.00 0.00 0.42 0.00 0.00 57.03 57.58 3gpn h ASP 150 Cb -0.03 0.07 -0.00 0.00 1.72 0.00 0.00 39.33 41.08 3gpn h ASP 150 CO -0.11 0.25 -0.01 -0.07 -2.88 0.00 0.00 179.24 176.42 3gpn h LEU 151 N -0.92 0.00 -1.24 2.28 3.38 -1.25 -2.94 115.31 114.62 3gpn h LEU 151 Ca -0.03 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.89 3gpn h LEU 151 Cb 0.49 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.24 3gpn h LEU 151 CO 0.05 0.01 -0.25 0.28 0.09 0.00 0.00 178.44 178.62 3gpn h SER 152 N 0.00 0.00 0.62 -0.43 0.02 -1.43 -2.49 113.55 109.84 3gpn h SER 152 Ca -0.00 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.93 3gpn h SER 152 Cb 0.20 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.74 3gpn h SER 152 CO 0.00 0.25 -0.08 1.56 -1.14 0.00 0.00 176.83 177.42 3gpn h GLN 153 N 0.00 0.00 0.00 3.45 4.20 -1.65 -3.24 115.11 117.87 3gpn h GLN 153 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3gpn h GLN 153 Cb 0.70 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.48 3gpn h GLN 153 CO 0.03 0.08 -1.85 1.28 -0.67 0.00 0.00 178.83 177.69 3gpn n LEU 154 N -3.32 0.03 -3.59 1.46 4.77 -0.94 -5.00 117.00 110.41 3gpn n LEU 154 Ca -0.01 -0.02 -0.13 0.00 -0.03 0.00 0.00 56.01 55.83 3gpn n LEU 154 Cb 0.27 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.29 3gpn n LEU 154 CO 0.28 0.01 0.61 -0.55 -1.33 0.00 0.00 177.39 176.41 3gpn s SER 155 N -4.19 -0.54 0.14 -1.43 0.15 -1.22 -2.45 113.70 104.16 3gpn s SER 155 Ca -0.07 0.84 0.19 0.00 0.70 0.00 0.00 55.95 57.62 3gpn s SER 155 Cb 0.12 0.78 0.80 0.00 -1.71 0.00 0.00 66.02 66.02 3gpn s SER 155 CO 0.81 -0.33 1.58 0.47 1.20 0.00 0.00 173.24 176.97 3gpn n ASP 156 N 1.64 0.36 -4.28 5.45 8.00 -1.26 -4.64 116.55 121.82 3gpn n ASP 156 Ca -0.14 0.59 -0.29 0.00 0.71 0.00 0.00 54.79 55.66 3gpn n ASP 156 Cb 0.56 -0.67 -0.16 0.00 -0.02 0.00 0.00 41.12 40.84 3gpn n ASP 156 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 3gpn s SER 157 N -3.66 2.79 -0.12 -2.24 0.01 -1.26 0.97 113.70 110.19 3gpn s SER 157 Ca 0.05 -0.45 0.03 0.00 1.31 0.00 0.00 55.95 56.89 3gpn s SER 157 Cb 0.09 -0.30 0.01 0.00 0.21 0.00 0.00 66.02 66.03 3gpn s SER 157 CO 0.32 0.28 -0.21 -0.63 0.41 0.00 0.00 173.24 173.40 3gpn s ILE 158 N -0.60 1.96 -0.17 1.44 1.01 -0.50 -4.40 121.20 119.94 3gpn s ILE 158 Ca 0.09 -0.93 -0.12 0.00 0.00 0.00 0.00 60.65 59.68 3gpn s ILE 158 Cb -0.09 -1.73 -0.05 0.00 0.01 0.00 0.00 42.46 40.61 3gpn s ILE 158 CO -0.00 0.53 0.24 0.21 0.00 0.00 0.00 174.94 175.92 3gpn s ASN 159 N 0.68 6.37 -0.18 3.58 2.47 0.62 -1.62 114.94 126.86 3gpn s ASN 159 Ca -0.11 0.42 -0.02 0.00 0.42 0.00 0.00 52.86 53.58 3gpn s ASN 159 Cb -0.16 -2.15 -0.01 0.00 -1.45 0.00 0.00 41.25 37.48 3gpn s ASN 159 CO 0.02 0.13 -0.10 -0.63 -3.72 0.00 0.00 177.10 172.80 3gpn s ILE 160 N 0.38 3.05 -0.05 -5.21 1.01 0.10 -0.89 121.20 119.59 3gpn s ILE 160 Ca 0.14 -0.63 0.04 0.00 0.00 0.00 0.00 60.65 60.20 3gpn s ILE 160 Cb -0.12 -2.33 -0.00 0.00 0.01 0.00 0.00 42.46 40.01 3gpn s ILE 160 CO 0.02 0.48 -0.17 -0.04 0.00 0.00 0.00 174.94 175.23 3gpn s MET 161 N 0.99 1.86 -0.13 2.79 -1.94 0.79 -0.80 119.30 122.86 3gpn s MET 161 Ca -0.01 -0.62 0.02 0.00 -1.71 0.00 0.00 55.69 53.37 3gpn s MET 161 Cb -0.15 -1.59 -0.00 0.00 2.01 0.00 0.00 34.83 35.10 3gpn s MET 161 CO -0.01 0.23 -0.20 0.42 -0.01 0.00 0.00 175.02 175.45 3gpn s ILE 162 N 0.09 2.38 0.36 2.53 1.01 -0.37 -0.09 121.20 127.11 3gpn s ILE 162 Ca -0.05 -0.89 0.06 0.00 0.00 0.00 0.00 60.65 59.77 3gpn s ILE 162 Cb -0.12 -1.96 -0.02 0.00 0.01 0.00 0.00 42.46 40.36 3gpn s ILE 162 CO 0.03 0.54 0.22 0.35 0.00 0.00 0.00 174.94 176.08 3gpn n THR 163 N 3.76 0.00 -0.28 2.92 -2.24 -0.65 -2.57 114.28 115.22 3gpn n THR 163 Ca -0.19 -2.38 0.10 0.00 -2.27 0.00 0.00 64.05 59.31 3gpn n THR 163 Cb 0.52 1.04 0.25 0.00 -2.10 0.00 0.00 70.33 70.05 3gpn n THR 163 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 3gpn h LYS 164 N 0.00 0.34 -0.11 -0.78 1.57 -1.99 -1.60 116.57 114.01 3gpn h LYS 164 Ca -0.27 -0.02 -0.17 0.00 -1.87 0.00 0.00 60.65 58.32 3gpn h LYS 164 Cb 1.19 -0.08 -0.30 0.00 0.08 0.00 0.00 32.23 33.12 3gpn h LYS 164 CO 0.41 0.23 -0.91 0.39 -0.57 0.00 0.00 179.45 179.00 3gpn n GLU 165 N -5.09 0.86 -4.19 3.15 -0.58 -1.26 -4.96 120.64 108.57 3gpn n GLU 165 Ca 0.19 -2.67 -0.22 0.00 -0.42 0.00 0.00 57.16 54.04 3gpn n GLU 165 Cb 0.56 -0.76 -0.17 0.00 -0.57 0.00 0.00 31.44 30.50 3gpn n GLU 165 CO 0.00 0.00 0.00 0.99 -0.48 0.00 0.00 177.13 177.64 3gpn s THR 166 N -1.62 0.71 -0.27 2.62 2.01 -0.60 -4.12 115.64 114.37 3gpn s THR 166 Ca 0.35 -0.20 -0.04 0.00 0.31 0.00 0.00 61.69 62.11 3gpn s THR 166 Cb 0.38 -0.72 0.02 0.00 0.01 0.00 0.00 72.50 72.18 3gpn s THR 166 CO -0.11 0.27 0.01 -0.63 -0.69 0.00 0.00 174.62 173.47 3gpn s ILE 167 N 1.05 3.43 -0.12 1.82 1.01 -0.42 -1.64 121.20 126.34 3gpn s ILE 167 Ca -0.09 -0.87 0.02 0.00 0.00 0.00 0.00 60.65 59.71 3gpn s ILE 167 Cb -0.14 -2.77 -0.00 0.00 0.01 0.00 0.00 42.46 39.56 3gpn s ILE 167 CO -0.00 0.12 -0.20 -0.75 0.00 0.00 0.00 174.94 174.11 3gpn s LYS 168 N 1.41 3.15 -0.05 2.79 2.20 0.87 -1.13 119.74 128.99 3gpn s LYS 168 Ca 0.01 -0.81 0.05 0.00 -0.36 0.00 0.00 55.97 54.86 3gpn s LYS 168 Cb -0.17 -2.46 -0.02 0.00 -1.51 0.00 0.00 37.83 33.67 3gpn s LYS 168 CO -0.01 0.13 -0.18 -0.06 -0.36 0.00 0.00 175.35 174.86 3gpn s PHE 169 N 0.51 2.59 -0.03 4.03 0.40 0.31 -0.15 117.98 125.64 3gpn s PHE 169 Ca -0.13 -0.36 -0.03 0.00 -0.60 0.00 0.00 56.93 55.82 3gpn s PHE 169 Cb -0.17 -1.62 0.01 0.00 0.51 0.00 0.00 43.02 41.75 3gpn s PHE 169 CO 0.05 0.03 0.08 0.08 0.70 0.00 0.00 175.22 176.16 3gpn s VAL 170 N -0.50 -0.00 -0.04 -0.44 1.01 -0.07 -0.81 120.40 119.55 3gpn s VAL 170 Ca 0.06 0.01 -0.00 0.00 0.00 0.00 0.00 61.98 62.05 3gpn s VAL 170 Cb -0.12 -0.12 0.03 0.00 0.00 0.00 0.00 36.38 36.17 3gpn s VAL 170 CO 0.01 0.00 -0.00 0.00 0.00 0.00 0.00 175.10 175.12 3gpn s ALA 171 N 0.11 0.43 -0.18 5.51 0.00 -0.63 -0.28 121.76 126.72 3gpn s ALA 171 Ca -0.01 0.09 -0.02 0.00 0.00 0.00 0.00 51.96 52.02 3gpn s ALA 171 Cb -0.01 -0.44 0.05 0.00 0.00 0.00 0.00 23.12 22.73 3gpn s ALA 171 CO -0.00 -0.17 0.03 0.34 0.00 0.00 0.00 175.76 175.95 3gpn s ASP 172 N 1.28 2.75 0.00 0.00 2.15 -1.26 0.86 116.67 122.45 3gpn s ASP 172 Ca -0.06 -0.72 0.00 0.00 0.43 0.00 0.00 52.55 52.20 3gpn s ASP 172 Cb -0.13 -0.60 0.00 0.00 -0.30 0.00 0.00 42.92 41.89 3gpn s ASP 172 CO -0.02 -0.28 0.00 0.61 -0.17 0.00 0.00 175.17 175.30 3gpn n GLY 173 N 5.05 5.50 0.08 2.66 0.00 0.04 -4.79 105.19 113.72 3gpn n GLY 173 Ca -0.09 -1.63 -0.06 0.00 0.00 0.00 0.00 46.02 44.24 3gpn n GLY 173 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3gpn h ASP 174 N 0.00 0.00 0.31 1.61 3.32 -1.99 -3.36 116.42 116.31 3gpn h ASP 174 Ca 0.00 0.00 -0.20 0.00 0.02 0.00 0.00 57.03 56.85 3gpn h ASP 174 Cb 0.00 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 39.51 3gpn h ASP 174 CO 0.00 0.92 -1.87 2.30 -1.72 0.00 0.00 179.24 178.86 3gpn n ILE 175 N -3.21 1.02 -1.24 0.35 -5.35 -1.26 -5.07 119.36 104.59 3gpn n ILE 175 Ca -0.05 -0.71 0.00 0.00 -0.27 0.00 0.00 62.75 61.72 3gpn n ILE 175 Cb 0.94 -0.50 0.00 0.00 -1.74 0.00 0.00 39.64 38.35 3gpn n ILE 175 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3gpn n GLY 176 N 1.49 -1.22 3.64 3.28 0.00 -1.26 -5.15 105.19 105.97 3gpn n GLY 176 Ca -0.16 -0.95 -0.05 0.00 0.00 0.00 0.00 46.02 44.85 3gpn n GLY 176 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3gpn s SER 177 N -1.61 -0.96 0.06 1.61 0.15 -1.26 -0.78 113.70 110.90 3gpn s SER 177 Ca 0.00 1.49 0.03 0.00 0.70 0.00 0.00 55.95 58.17 3gpn s SER 177 Cb 0.00 1.58 -0.03 0.00 -1.71 0.00 0.00 66.02 65.86 3gpn s SER 177 CO 0.00 -0.23 -0.09 -0.83 1.20 0.00 0.00 173.24 173.29 3gpn s GLY 178 N 1.91 0.67 -0.15 9.45 0.00 0.25 -4.98 107.32 114.47 3gpn s GLY 178 Ca -0.09 -0.95 -0.06 0.00 0.00 0.00 0.00 44.72 43.62 3gpn s GLY 178 CO -0.19 -1.01 0.32 -0.45 0.00 0.00 0.00 173.10 171.76 3gpn s SER 179 N -1.92 -0.01 -0.07 1.64 0.15 -1.26 -1.60 113.70 110.62 3gpn s SER 179 Ca -0.03 0.71 0.03 0.00 0.70 0.00 0.00 55.95 57.36 3gpn s SER 179 Cb -0.07 0.81 0.01 0.00 -1.71 0.00 0.00 66.02 65.06 3gpn s SER 179 CO 0.00 -0.22 -0.16 -0.69 1.20 0.00 0.00 173.24 173.38 3gpn s VAL 180 N 2.13 1.41 -0.17 4.45 1.01 0.01 -5.01 120.40 124.22 3gpn s VAL 180 Ca -0.03 -0.64 0.01 0.00 0.00 0.00 0.00 61.98 61.32 3gpn s VAL 180 Cb -0.11 -1.26 0.02 0.00 0.00 0.00 0.00 36.38 35.03 3gpn s VAL 180 CO -0.10 0.42 -0.20 -0.63 0.00 0.00 0.00 175.10 174.58 3gpn s ILE 181 N 0.56 2.06 0.12 2.22 1.01 -1.26 -0.53 121.20 125.38 3gpn s ILE 181 Ca -0.16 -0.94 0.10 0.00 0.00 0.00 0.00 60.65 59.65 3gpn s ILE 181 Cb -0.16 -1.85 -0.04 0.00 0.01 0.00 0.00 42.46 40.41 3gpn s ILE 181 CO 0.05 0.54 -0.24 0.27 0.00 0.00 0.00 174.94 175.57 3gpn s ILE 182 N 1.23 2.47 0.02 2.92 -4.36 -0.28 -4.99 121.20 118.20 3gpn s ILE 182 Ca 0.03 -1.64 0.08 0.00 -0.26 0.00 0.00 60.65 58.86 3gpn s ILE 182 Cb -0.13 -2.10 -0.03 0.00 1.25 0.00 0.00 42.46 41.45 3gpn s ILE 182 CO -0.12 0.11 -0.22 -0.54 0.24 0.00 0.00 174.94 174.41 3gpn s LYS 183 N -2.04 2.04 0.41 0.37 1.02 -1.26 -1.30 119.74 118.99 3gpn s LYS 183 Ca 0.15 -0.98 -0.27 0.00 0.02 0.00 0.00 55.97 54.90 3gpn s LYS 183 Cb -0.10 -2.10 -0.10 0.00 -0.52 0.00 0.00 37.83 35.01 3gpn s LYS 183 CO 0.07 0.55 1.47 -2.30 -0.92 0.00 0.00 175.35 174.22 3gpn n PRO 184 N 1.94 2.50 -3.65 -1.68 -0.02 -1.26 -4.84 135.00 128.00 3gpn n PRO 184 Ca -0.16 0.88 -0.15 0.00 -2.02 0.00 0.00 63.50 62.05 3gpn n PRO 184 Cb 0.52 -2.66 -0.08 0.00 -0.02 0.00 0.00 33.50 31.26 3gpn n PRO 184 CO 0.00 0.00 0.00 -0.59 1.98 0.00 0.00 175.50 176.89 3gpn s PHE 185 N -1.15 -0.51 -0.17 6.00 -0.12 -0.64 -4.97 117.98 116.42 3gpn s PHE 185 Ca 0.57 1.02 -0.14 0.00 -0.05 0.00 0.00 56.93 58.33 3gpn s PHE 185 Cb -0.46 0.25 -0.05 0.00 -0.63 0.00 0.00 43.02 42.13 3gpn s PHE 185 CO 0.61 -0.43 0.28 0.08 -0.05 0.00 0.00 175.22 175.72 3gpn s VAL 186 N -0.66 5.31 -0.36 -2.49 1.01 -1.26 -2.56 120.40 119.38 3gpn s VAL 186 Ca -0.08 0.52 -0.04 0.00 0.00 0.00 0.00 61.98 62.38 3gpn s VAL 186 Cb -0.03 -3.62 0.07 0.00 0.00 0.00 0.00 36.38 32.80 3gpn s VAL 186 CO 0.05 0.37 0.13 -0.62 0.00 0.00 0.00 175.10 175.03 3gpn s ASP 187 N 0.57 5.21 0.04 3.32 -1.08 -1.26 -4.99 116.67 118.48 3gpn s ASP 187 Ca 0.16 -1.55 -0.10 0.00 -0.52 0.00 0.00 52.55 50.54 3gpn s ASP 187 Cb -0.13 -1.82 -0.03 0.00 -1.46 0.00 0.00 42.92 39.48 3gpn s ASP 187 CO 0.04 -0.41 1.16 -0.03 0.52 0.00 0.00 175.17 176.45 3gpn h MET 188 N 8.12 -0.08 0.00 4.34 1.85 -1.98 -2.89 114.93 124.29 3gpn h MET 188 Ca -0.19 0.01 -0.10 0.00 -0.61 0.00 0.00 59.70 58.80 3gpn h MET 188 Cb 1.06 0.02 -0.01 0.00 0.43 0.00 0.00 31.60 33.10 3gpn h MET 188 CO 0.64 -0.05 -0.49 1.49 -0.40 0.00 0.00 176.91 178.10 3gpn h GLU 189 N -0.08 0.00 -2.32 0.39 4.81 -2.06 -3.38 114.58 111.94 3gpn h GLU 189 Ca 0.03 0.00 -0.58 0.00 -0.13 0.00 0.00 59.36 58.68 3gpn h GLU 189 Cb 0.16 0.00 -0.39 0.00 0.63 0.00 0.00 28.75 29.15 3gpn h GLU 189 CO -0.21 0.49 -0.95 0.72 -0.73 0.00 0.00 179.01 178.32 3gpn n HIS 190 N -3.50 -0.06 0.30 0.92 8.25 -1.15 -4.97 115.22 115.01 3gpn n HIS 190 Ca 0.00 -3.53 0.20 0.00 -0.26 0.00 0.00 57.72 54.12 3gpn n HIS 190 Cb 0.60 -0.06 1.02 0.00 1.12 0.00 0.00 29.99 32.68 3gpn n HIS 190 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 3gpn h PRO 191 N 5.04 0.00 0.00 -0.41 0.13 -1.70 -1.43 132.00 133.62 3gpn h PRO 191 Ca 0.19 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.32 3gpn h PRO 191 Cb 0.87 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.00 3gpn h PRO 191 CO 0.46 0.00 0.00 0.93 -0.23 0.00 0.00 178.00 179.16 3gpn h GLU 192 N 0.00 0.00 0.00 0.86 3.07 -1.93 -2.63 114.58 113.95 3gpn h GLU 192 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 3gpn h GLU 192 Cb 0.09 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.00 3gpn h GLU 192 CO 0.00 0.00 -0.79 2.41 -1.40 0.00 0.00 179.01 179.23 3gpn n THR 193 N -2.56 0.30 -1.73 1.13 -1.04 -0.54 -4.42 114.28 105.41 3gpn n THR 193 Ca 0.01 -0.27 -0.38 0.00 -2.04 0.00 0.00 64.05 61.37 3gpn n THR 193 Cb 0.24 -0.02 0.06 0.00 -1.82 0.00 0.00 70.33 68.79 3gpn n THR 193 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 3gpn n SER 194 N -2.08 2.31 -4.51 8.00 7.64 -0.99 -4.57 113.62 119.41 3gpn n SER 194 Ca 0.03 0.89 -0.36 0.00 1.01 0.00 0.00 58.87 60.43 3gpn n SER 194 Cb 0.44 -1.56 -0.12 0.00 -1.01 0.00 0.00 64.21 61.96 3gpn n SER 194 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 3gpn s ILE 195 N -1.35 4.60 -0.06 0.44 1.01 -1.06 -4.30 121.20 120.49 3gpn s ILE 195 Ca 0.78 -0.08 0.02 0.00 0.00 0.00 0.00 60.65 61.38 3gpn s ILE 195 Cb -0.39 -3.14 -0.03 0.00 0.01 0.00 0.00 42.46 38.90 3gpn s ILE 195 CO 0.44 0.35 -0.11 -0.54 0.00 0.00 0.00 174.94 175.08 3gpn s LYS 196 N 1.37 2.61 -0.04 2.79 1.02 -0.64 -1.62 119.74 125.24 3gpn s LYS 196 Ca 0.06 -0.63 0.03 0.00 0.02 0.00 0.00 55.97 55.44 3gpn s LYS 196 Cb -0.15 -2.47 0.00 0.00 -0.52 0.00 0.00 37.83 34.69 3gpn s LYS 196 CO 0.05 0.64 -0.11 -1.17 -0.92 0.00 0.00 175.35 173.84 3gpn s LEU 197 N -0.80 1.76 -0.21 3.17 2.96 -1.26 -1.53 118.68 122.77 3gpn s LEU 197 Ca 0.12 -0.23 0.01 0.00 -0.22 0.00 0.00 54.13 53.80 3gpn s LEU 197 Cb -0.11 -0.67 0.05 0.00 0.50 0.00 0.00 46.19 45.96 3gpn s LEU 197 CO 0.01 0.07 -0.08 -0.70 -1.32 0.00 0.00 176.35 174.33 3gpn s GLU 198 N 0.28 1.86 -0.23 1.98 2.12 0.37 -4.98 118.70 120.10 3gpn s GLU 198 Ca -0.06 -0.88 -0.01 0.00 0.36 0.00 0.00 54.97 54.38 3gpn s GLU 198 Cb -0.11 -2.46 0.02 0.00 0.26 0.00 0.00 34.13 31.85 3gpn s GLU 198 CO 0.01 -0.49 -0.09 1.41 -0.54 0.00 0.00 175.26 175.57 3gpn s MET 199 N 1.40 2.96 -0.08 4.30 -2.45 -1.26 -0.08 119.30 124.09 3gpn s MET 199 Ca -0.03 -0.89 0.03 0.00 -1.25 0.00 0.00 55.69 53.55 3gpn s MET 199 Cb -0.17 -2.91 -0.25 0.00 1.25 0.00 0.00 34.83 32.75 3gpn s MET 199 CO -0.07 -0.33 0.53 -0.25 1.05 0.00 0.00 175.02 175.95 3gpn n ASP 200 N 4.68 1.51 -3.80 1.11 8.00 0.74 -4.97 116.55 123.82 3gpn n ASP 200 Ca -0.18 0.32 -0.13 0.00 0.71 0.00 0.00 54.79 55.52 3gpn n ASP 200 Cb 0.48 -0.48 -0.13 0.00 -0.02 0.00 0.00 41.12 40.98 3gpn n ASP 200 CO 0.00 0.00 0.00 -1.58 -0.39 0.00 0.00 177.20 175.23 3gpn s GLN 201 N -2.58 0.19 0.58 -1.24 2.00 -0.96 -5.05 119.66 112.61 3gpn s GLN 201 Ca -0.13 0.29 -0.19 0.00 -2.00 0.00 0.00 55.36 53.32 3gpn s GLN 201 Cb 0.07 0.05 -0.06 0.00 0.80 0.00 0.00 33.01 33.88 3gpn s GLN 201 CO 0.80 -0.05 0.95 -2.30 -0.50 0.00 0.00 175.29 174.18 3gpn n PRO 202 N 3.24 0.93 -4.15 1.67 -0.02 -1.26 -4.42 135.00 130.99 3gpn n PRO 202 Ca -0.15 0.36 -0.13 0.00 -2.02 0.00 0.00 63.50 61.56 3gpn n PRO 202 Cb 0.57 -2.14 -0.11 0.00 -0.02 0.00 0.00 33.50 31.81 3gpn n PRO 202 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 3gpn s VAL 203 N -1.50 0.77 -0.29 -1.45 -7.23 -1.06 -4.92 120.40 104.71 3gpn s VAL 203 Ca 0.74 -1.62 0.03 0.00 -1.81 0.00 0.00 61.98 59.32 3gpn s VAL 203 Cb -0.43 -1.30 0.17 0.00 0.56 0.00 0.00 36.38 35.38 3gpn s VAL 203 CO 0.48 -0.63 0.48 -0.62 -0.31 0.00 0.00 175.10 174.50 3gpn s ASP 204 N -2.46 -0.38 0.02 4.85 -1.08 -1.25 -1.24 116.67 115.12 3gpn s ASP 204 Ca 0.04 -0.09 0.00 0.00 -0.52 0.00 0.00 52.55 51.98 3gpn s ASP 204 Cb -0.02 1.47 -0.01 0.00 -1.46 0.00 0.00 42.92 42.90 3gpn s ASP 204 CO -0.02 -0.33 -0.03 -0.76 0.52 0.00 0.00 175.17 174.56 3gpn s LEU 205 N 2.65 2.17 -0.01 -1.34 1.43 0.02 -4.98 118.68 118.62 3gpn s LEU 205 Ca 0.11 -0.36 0.07 0.00 -1.03 0.00 0.00 54.13 52.92 3gpn s LEU 205 Cb -0.12 0.02 -0.02 0.00 0.03 0.00 0.00 46.19 46.10 3gpn s LEU 205 CO -0.27 -0.19 -0.21 -0.89 0.23 0.00 0.00 176.35 175.01 3gpn s THR 206 N -1.00 2.50 0.04 5.49 2.01 -1.26 0.01 115.64 123.44 3gpn s THR 206 Ca -0.10 -1.04 0.01 0.00 0.31 0.00 0.00 61.69 60.88 3gpn s THR 206 Cb -0.07 -1.95 -0.03 0.00 0.01 0.00 0.00 72.50 70.46 3gpn s THR 206 CO -0.01 0.52 -0.06 -0.36 -0.69 0.00 0.00 174.62 174.02 3gpn s PHE 207 N -0.73 0.58 -0.05 4.92 0.08 -0.64 -0.89 117.98 121.26 3gpn s PHE 207 Ca 0.11 -0.59 -0.30 0.00 0.12 0.00 0.00 56.93 56.27 3gpn s PHE 207 Cb -0.10 -0.36 -0.04 0.00 -0.57 0.00 0.00 43.02 41.95 3gpn s PHE 207 CO 0.01 -0.14 1.27 0.20 -0.10 0.00 0.00 175.22 176.46 3gpn s GLY 208 N -1.81 1.98 0.36 4.36 0.00 -1.26 -1.41 107.32 109.55 3gpn s GLY 208 Ca -0.08 0.69 0.11 0.00 0.00 0.00 0.00 44.72 45.44 3gpn s GLY 208 CO -0.01 2.34 1.85 0.00 0.00 0.00 0.00 173.10 177.28 3gpn h ALA 209 N 7.66 1.91 -1.01 3.20 0.00 0.33 -2.28 119.26 129.08 3gpn h ALA 209 Ca -0.35 0.03 0.04 0.00 0.00 0.00 0.00 54.91 54.62 3gpn h ALA 209 Cb 1.16 -0.09 -0.06 0.00 0.00 0.00 0.00 17.79 18.80 3gpn h ALA 209 CO 0.90 -0.19 0.66 1.57 0.00 0.00 0.00 179.25 182.19 3gpn h LYS 210 N 0.62 1.25 -0.22 0.00 2.10 -1.91 0.42 116.57 118.83 3gpn h LYS 210 Ca 0.48 -0.07 -0.19 0.00 -2.00 0.00 0.00 60.65 58.86 3gpn h LYS 210 Cb 0.88 -0.28 0.00 0.00 -0.90 0.00 0.00 32.23 31.93 3gpn h LYS 210 CO -0.23 0.82 -0.60 1.88 -2.00 0.00 0.00 179.45 179.33 3gpn h TYR 211 N 1.28 0.94 -0.47 0.07 0.05 -1.80 -2.57 116.97 114.48 3gpn h TYR 211 Ca 0.40 -0.36 -0.09 0.00 0.05 0.00 0.00 58.73 58.74 3gpn h TYR 211 Cb -0.01 -0.17 -0.02 0.00 1.01 0.00 0.00 36.73 37.54 3gpn h TYR 211 CO -0.00 1.15 -0.07 -0.07 -1.05 0.00 0.00 178.16 178.13 3gpn h LEU 212 N 0.55 0.80 -2.07 3.88 3.38 -1.13 -1.98 115.31 118.73 3gpn h LEU 212 Ca -0.00 -0.22 0.08 0.00 0.09 0.00 0.00 57.88 57.82 3gpn h LEU 212 Cb 1.20 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.72 3gpn h LEU 212 CO 0.12 0.91 0.23 -0.07 0.09 0.00 0.00 178.44 179.72 3gpn h LEU 213 N 0.75 0.00 0.03 1.67 3.38 0.04 -2.28 115.31 118.89 3gpn h LEU 213 Ca 0.13 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.04 3gpn h LEU 213 Cb 0.55 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.30 3gpn h LEU 213 CO 0.03 0.00 -0.27 0.44 0.09 0.00 0.00 178.44 178.74 3gpn h ASP 214 N 0.00 0.19 -0.89 -0.43 3.32 -0.98 -3.35 116.42 114.27 3gpn h ASP 214 Ca 0.13 -0.87 0.02 0.00 0.02 0.00 0.00 57.03 56.33 3gpn h ASP 214 Cb 0.59 -0.06 -0.05 0.00 0.22 0.00 0.00 39.33 40.03 3gpn h ASP 214 CO -0.00 1.05 0.59 0.40 -1.72 0.00 0.00 179.24 179.55 3gpn h ILE 215 N -0.64 1.19 0.00 0.35 2.04 -1.23 -2.06 117.51 117.16 3gpn h ILE 215 Ca -0.04 -0.40 0.00 0.00 1.00 0.00 0.00 64.86 65.42 3gpn h ILE 215 Cb 1.11 -0.08 0.00 0.00 -0.74 0.00 0.00 36.82 37.11 3gpn h ILE 215 CO 0.05 0.21 0.00 2.30 0.00 0.00 0.00 178.15 180.71 3gpn n ILE 216 N -4.42 0.38 0.81 -0.67 -5.35 -0.87 -1.33 119.36 107.91 3gpn n ILE 216 Ca 0.11 0.10 0.13 0.00 -0.27 0.00 0.00 62.75 62.82 3gpn n ILE 216 Cb 0.06 -0.86 0.46 0.00 -1.74 0.00 0.00 39.64 37.56 3gpn n ILE 216 CO 0.00 0.00 0.00 0.29 -1.76 0.00 0.00 176.55 175.08 3gpn n LYS 217 N -1.18 0.13 0.00 6.28 5.02 -0.78 -2.63 118.16 125.01 3gpn n LYS 217 Ca 0.08 0.10 0.10 0.00 -2.02 0.00 0.00 58.31 56.57 3gpn n LYS 217 Cb 0.09 -1.64 0.55 0.00 -0.02 0.00 0.00 35.03 34.01 3gpn n LYS 217 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3gpn n GLY 218 N 1.41 -0.76 0.19 0.72 0.00 -0.44 -3.85 105.19 102.47 3gpn n GLY 218 Ca 0.06 -0.11 0.02 0.00 0.00 0.00 0.00 46.02 45.99 3gpn n GLY 218 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3gpn h SER 219 N 0.00 0.04 0.69 1.61 0.02 -1.70 -2.13 113.55 112.08 3gpn h SER 219 Ca 0.00 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.94 3gpn h SER 219 Cb 0.08 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 62.61 3gpn h SER 219 CO 0.00 0.41 0.00 -1.54 -1.14 0.00 0.00 176.83 174.56 3gpn n SER 220 N -4.09 0.58 0.15 3.07 3.41 -1.26 -2.90 113.62 112.57 3gpn n SER 220 Ca -0.02 0.64 0.12 0.00 -0.26 0.00 0.00 58.87 59.36 3gpn n SER 220 Cb 0.41 -0.76 0.18 0.00 -0.26 0.00 0.00 64.21 63.77 3gpn n SER 220 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 3gpn h LEU 221 N 0.00 0.00 -7.14 1.04 3.38 -1.70 -3.47 115.31 107.42 3gpn h LEU 221 Ca 0.00 -0.03 -0.07 0.00 0.09 0.00 0.00 57.88 57.87 3gpn h LEU 221 Cb 0.35 0.00 -0.22 0.00 0.09 0.00 0.00 40.66 40.87 3gpn h LEU 221 CO 0.00 0.01 -0.05 -0.55 0.09 0.00 0.00 178.44 177.95 3gpn s SER 222 N -5.42 -0.62 0.55 -0.43 0.15 -1.14 -4.74 113.70 102.04 3gpn s SER 222 Ca 0.06 1.17 0.23 0.00 0.70 0.00 0.00 55.95 58.11 3gpn s SER 222 Cb 0.09 1.17 1.51 0.00 -1.71 0.00 0.00 66.02 67.08 3gpn s SER 222 CO 0.69 -0.20 2.18 0.44 1.20 0.00 0.00 173.24 177.55 3gpn h ASP 223 N 5.39 0.00 -3.76 5.45 3.32 -1.90 -3.41 116.42 121.50 3gpn h ASP 223 Ca -0.28 0.00 -0.45 0.00 0.02 0.00 0.00 57.03 56.32 3gpn h ASP 223 Cb 1.17 0.00 -0.17 0.00 0.22 0.00 0.00 39.33 40.55 3gpn h ASP 223 CO 0.15 0.03 -0.76 -0.13 -1.72 0.00 0.00 179.24 176.81 3gpn s ARG 224 N -4.76 1.15 0.02 3.56 0.52 -1.26 0.37 118.95 118.54 3gpn s ARG 224 Ca -0.05 -1.36 0.04 0.00 -0.52 0.00 0.00 55.73 53.84 3gpn s ARG 224 Cb 0.16 -1.04 -0.01 0.00 0.52 0.00 0.00 34.95 34.57 3gpn s ARG 224 CO 0.61 0.20 -0.11 0.54 0.02 0.00 0.00 175.30 176.56 3gpn s VAL 225 N -2.33 0.86 -0.14 3.52 0.11 -0.59 -4.51 120.40 117.31 3gpn s VAL 225 Ca 0.14 -0.72 -0.02 0.00 -2.93 0.00 0.00 61.98 58.44 3gpn s VAL 225 Cb -0.04 -0.77 -0.02 0.00 -1.53 0.00 0.00 36.38 34.02 3gpn s VAL 225 CO 0.04 0.05 -0.07 -0.83 -3.33 0.00 0.00 175.10 170.97 3gpn s GLY 226 N -0.75 1.66 -0.15 6.54 0.00 -0.55 -2.53 107.32 111.54 3gpn s GLY 226 Ca 0.01 -0.84 0.01 0.00 0.00 0.00 0.00 44.72 43.90 3gpn s GLY 226 CO 0.00 -0.15 -0.18 -0.42 0.00 0.00 0.00 173.10 172.36 3gpn s ILE 227 N 0.27 2.44 -0.13 0.90 1.01 0.42 -1.32 121.20 124.79 3gpn s ILE 227 Ca -0.05 -0.85 0.00 0.00 0.00 0.00 0.00 60.65 59.76 3gpn s ILE 227 Cb -0.14 -2.01 -0.01 0.00 0.01 0.00 0.00 42.46 40.30 3gpn s ILE 227 CO 0.04 0.53 -0.15 -0.13 0.00 0.00 0.00 174.94 175.22 3gpn s ARG 228 N 0.81 3.29 0.07 2.79 0.52 0.09 -1.39 118.95 125.12 3gpn s ARG 228 Ca -0.06 -0.73 0.09 0.00 -0.52 0.00 0.00 55.73 54.51 3gpn s ARG 228 Cb -0.15 -2.59 -0.03 0.00 0.52 0.00 0.00 34.95 32.70 3gpn s ARG 228 CO -0.01 0.14 -0.24 -0.51 0.02 0.00 0.00 175.30 174.71 3gpn s LEU 229 N 0.51 2.21 -0.02 2.53 1.43 0.13 -1.17 118.68 124.30 3gpn s LEU 229 Ca -0.10 -0.61 -0.15 0.00 -1.03 0.00 0.00 54.13 52.25 3gpn s LEU 229 Cb -0.16 -1.11 0.02 0.00 0.03 0.00 0.00 46.19 44.98 3gpn s LEU 229 CO 0.04 0.18 0.32 -0.94 0.23 0.00 0.00 176.35 176.18 3gpn s SER 230 N -1.45 -0.21 0.25 2.29 1.04 -1.26 -0.82 113.70 113.54 3gpn s SER 230 Ca 0.10 0.15 -0.01 0.00 0.48 0.00 0.00 55.95 56.66 3gpn s SER 230 Cb -0.10 0.35 0.31 0.00 0.10 0.00 0.00 66.02 66.68 3gpn s SER 230 CO 0.03 -0.42 1.69 0.77 0.98 0.00 0.00 173.24 176.29 3gpn h SER 231 N 4.02 0.66 0.09 7.02 4.64 -1.97 -3.33 113.55 124.68 3gpn h SER 231 Ca -0.29 -0.21 -0.24 0.00 -0.47 0.00 0.00 61.79 60.58 3gpn h SER 231 Cb 1.18 -0.18 -0.01 0.00 -0.31 0.00 0.00 62.40 63.08 3gpn h SER 231 CO 0.39 0.85 -1.21 -0.33 -0.87 0.00 0.00 176.83 175.66 3gpn h GLU 232 N 0.59 0.18 -6.54 4.77 4.39 -1.98 -3.49 114.58 112.50 3gpn h GLU 232 Ca 0.09 -0.31 -0.44 0.00 0.34 0.00 0.00 59.36 59.03 3gpn h GLU 232 Cb 0.65 0.12 0.02 0.00 -0.10 0.00 0.00 28.75 29.44 3gpn h GLU 232 CO 0.05 1.15 -0.20 0.00 -1.16 0.00 0.00 179.01 178.85 3gpn s ALA 233 N -2.43 4.04 0.72 3.43 0.00 -1.25 -5.09 121.76 121.18 3gpn s ALA 233 Ca -0.21 -1.31 -0.16 0.00 0.00 0.00 0.00 51.96 50.28 3gpn s ALA 233 Cb 0.04 -1.90 0.01 0.00 0.00 0.00 0.00 23.12 21.26 3gpn s ALA 233 CO 0.73 -0.28 0.98 -2.30 0.00 0.00 0.00 175.76 174.90 3gpn n PRO 234 N -1.92 0.52 -2.15 0.00 -0.02 -1.26 -4.48 135.00 125.69 3gpn n PRO 234 Ca 0.02 0.24 -0.32 0.00 -2.02 0.00 0.00 63.50 61.42 3gpn n PRO 234 Cb 0.58 -2.24 -0.01 0.00 -0.02 0.00 0.00 33.50 31.82 3gpn n PRO 234 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3gpn s ALA 235 N -1.81 2.92 -0.12 3.55 0.00 0.16 -4.67 121.76 121.80 3gpn s ALA 235 Ca 0.74 0.23 0.02 0.00 0.00 0.00 0.00 51.96 52.94 3gpn s ALA 235 Cb -0.35 -3.16 0.01 0.00 0.00 0.00 0.00 23.12 19.63 3gpn s ALA 235 CO 0.50 -0.57 -0.16 -1.17 0.00 0.00 0.00 175.76 174.36 3gpn s LEU 236 N -4.45 1.77 -0.12 0.00 0.20 -0.31 -0.56 118.68 115.20 3gpn s LEU 236 Ca 0.60 -0.46 0.00 0.00 0.69 0.00 0.00 54.13 54.97 3gpn s LEU 236 Cb -0.13 -1.14 -0.02 0.00 -0.43 0.00 0.00 46.19 44.47 3gpn s LEU 236 CO 0.37 0.02 -0.13 -0.36 -0.29 0.00 0.00 176.35 175.96 3gpn s PHE 237 N 1.01 2.81 -0.03 5.38 0.40 0.88 -0.74 117.98 127.69 3gpn s PHE 237 Ca -0.06 -0.56 0.01 0.00 -0.60 0.00 0.00 56.93 55.72 3gpn s PHE 237 Cb -0.15 -1.82 0.01 0.00 0.51 0.00 0.00 43.02 41.57 3gpn s PHE 237 CO -0.02 -0.15 -0.04 -1.14 0.70 0.00 0.00 175.22 174.56 3gpn s GLN 238 N 0.21 0.62 -0.22 0.44 0.74 -0.43 -0.16 119.66 120.85 3gpn s GLN 238 Ca -0.08 -0.10 -0.03 0.00 0.05 0.00 0.00 55.36 55.19 3gpn s GLN 238 Cb -0.15 -0.65 -0.00 0.00 1.10 0.00 0.00 33.01 33.31 3gpn s GLN 238 CO 0.05 -0.02 -0.05 -0.06 -0.55 0.00 0.00 175.29 174.65 3gpn s PHE 239 N 0.60 2.96 0.07 1.67 0.08 0.63 -1.48 117.98 122.52 3gpn s PHE 239 Ca -0.07 -1.06 -0.30 0.00 0.12 0.00 0.00 56.93 55.61 3gpn s PHE 239 Cb -0.11 -2.09 -0.05 0.00 -0.57 0.00 0.00 43.02 40.20 3gpn s PHE 239 CO -0.00 -0.59 1.08 -0.51 -0.10 0.00 0.00 175.22 175.10 3gpn s ASP 240 N 1.45 7.26 0.40 1.36 1.01 -1.26 0.07 116.67 126.96 3gpn s ASP 240 Ca 0.05 1.89 0.03 0.00 0.71 0.00 0.00 52.55 55.24 3gpn s ASP 240 Cb -0.15 -2.58 -0.00 0.00 1.01 0.00 0.00 42.92 41.20 3gpn s ASP 240 CO -0.04 -0.30 0.58 -0.76 0.21 0.00 0.00 175.17 174.86 3gpn s LEU 241 N 0.59 3.79 -0.14 1.23 1.43 0.14 -4.53 118.68 121.20 3gpn s LEU 241 Ca 0.53 0.05 -0.30 0.00 -1.03 0.00 0.00 54.13 53.38 3gpn s LEU 241 Cb -0.26 -2.96 -0.07 0.00 0.03 0.00 0.00 46.19 42.93 3gpn s LEU 241 CO 0.30 -0.59 2.12 1.17 0.23 0.00 0.00 176.35 179.58 3gpn n LYS 242 N -1.88 2.21 -3.27 1.70 4.81 -1.26 -2.86 118.16 117.61 3gpn n LYS 242 Ca 0.01 0.70 -0.23 0.00 -0.87 0.00 0.00 58.31 57.92 3gpn n LYS 242 Cb 0.58 -3.07 0.02 0.00 0.02 0.00 0.00 35.03 32.58 3gpn n LYS 242 CO 0.00 0.00 0.00 0.43 1.17 0.00 0.00 177.40 179.00 3gpn n SER 243 N 9.88 -4.81 0.00 3.14 7.64 -1.26 -4.47 113.62 123.74 3gpn n SER 243 Ca 0.27 -0.38 0.00 0.00 1.01 0.00 0.00 58.87 59.77 3gpn n SER 243 Cb 0.41 -3.92 0.00 0.00 -1.01 0.00 0.00 64.21 59.69 3gpn n SER 243 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3gpn n GLY 244 N -1.37 1.03 3.82 0.23 0.00 -1.13 -1.38 105.19 106.39 3gpn n GLY 244 Ca -0.05 -0.42 -0.07 0.00 0.00 0.00 0.00 46.02 45.48 3gpn n GLY 244 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3gpn s PHE 245 N -1.49 -0.19 -0.10 1.61 -0.12 -0.43 0.26 117.98 117.52 3gpn s PHE 245 Ca 0.00 -0.25 0.00 0.00 -0.05 0.00 0.00 56.93 56.63 3gpn s PHE 245 Cb 0.00 0.68 0.02 0.00 -0.63 0.00 0.00 43.02 43.09 3gpn s PHE 245 CO 0.00 -1.20 -0.10 -1.17 -0.05 0.00 0.00 175.22 172.70 3gpn s LEU 246 N -2.91 1.38 0.05 -1.99 2.96 0.11 -1.80 118.68 116.48 3gpn s LEU 246 Ca 0.11 -0.32 0.06 0.00 -0.22 0.00 0.00 54.13 53.75 3gpn s LEU 246 Cb -0.05 -0.88 -0.04 0.00 0.50 0.00 0.00 46.19 45.72 3gpn s LEU 246 CO 0.06 -0.07 -0.12 -1.10 -1.32 0.00 0.00 176.35 173.80 3gpn s GLN 247 N 1.38 2.21 -0.06 1.98 -0.21 0.10 -0.27 119.66 124.79 3gpn s GLN 247 Ca -0.01 -0.93 0.04 0.00 0.02 0.00 0.00 55.36 54.48 3gpn s GLN 247 Cb -0.14 -2.31 0.00 0.00 1.00 0.00 0.00 33.01 31.57 3gpn s GLN 247 CO -0.05 0.54 -0.17 -0.06 -2.12 0.00 0.00 175.29 173.44 3gpn s PHE 248 N -1.05 1.79 -0.19 0.91 0.40 0.77 -0.96 117.98 119.65 3gpn s PHE 248 Ca 0.18 -0.62 -0.07 0.00 -0.60 0.00 0.00 56.93 55.82 3gpn s PHE 248 Cb -0.11 -1.24 -0.04 0.00 0.51 0.00 0.00 43.02 42.15 3gpn s PHE 248 CO 0.09 -0.25 0.05 -0.06 0.70 0.00 0.00 175.22 175.74 3gpn s PHE 249 N 0.31 3.18 -0.07 0.36 0.40 0.65 -0.08 117.98 122.73 3gpn s PHE 249 Ca -0.11 -0.09 0.01 0.00 -0.60 0.00 0.00 56.93 56.15 3gpn s PHE 249 Cb -0.14 -2.10 0.02 0.00 0.51 0.00 0.00 43.02 41.31 3gpn s PHE 249 CO 0.04 0.01 -0.09 -1.17 0.70 0.00 0.00 175.22 174.71 3gpn s LEU 250 N 0.67 1.41 0.05 -0.37 2.96 0.27 -1.49 118.68 122.17 3gpn s LEU 250 Ca 0.03 -0.25 -0.30 0.00 -0.22 0.00 0.00 54.13 53.38 3gpn s LEU 250 Cb -0.13 -0.72 -0.05 0.00 0.50 0.00 0.00 46.19 45.78 3gpn s LEU 250 CO 0.02 -0.04 1.19 0.00 -1.32 0.00 0.00 176.35 176.20 3gpn s ALA 251 N 1.04 3.38 0.41 5.97 0.00 -1.19 0.40 121.76 131.78 3gpn s ALA 251 Ca -0.08 0.82 -0.24 0.00 0.00 0.00 0.00 51.96 52.46 3gpn s ALA 251 Cb -0.14 -3.44 -0.09 0.00 0.00 0.00 0.00 23.12 19.44 3gpn s ALA 251 CO -0.01 -0.45 1.06 -1.25 0.00 0.00 0.00 175.76 175.12 3gpn s PRO 252 N 1.14 4.11 0.00 0.00 0.05 -1.26 -4.81 135.00 134.23 3gpn s PRO 252 Ca 0.58 1.53 0.00 0.00 0.05 0.00 0.00 61.00 63.17 3gpn s PRO 252 Cb -0.29 -2.51 0.03 0.00 0.05 0.00 0.00 34.50 31.78 3gpn s PRO 252 CO 0.29 -0.19 0.53 1.63 0.05 0.00 0.00 177.00 179.30