#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pma s THR 2 N 0.00 0.08 0.05 1.09 -1.32 -1.26 0.56 115.64 114.84 1pma s THR 2 Ca 0.00 0.00 0.02 0.00 -1.21 0.00 0.00 61.69 60.50 1pma s THR 2 Cb 0.00 -0.11 -0.03 0.00 -1.51 0.00 0.00 72.50 70.86 1pma s THR 2 CO 0.00 0.05 -0.07 0.42 -2.21 0.00 0.00 174.62 172.81 1pma s THR 3 N 0.25 0.50 -0.12 5.08 -4.23 -0.70 -2.33 115.64 114.10 1pma s THR 3 Ca -0.02 -1.22 -0.13 0.00 -1.18 0.00 0.00 61.69 59.13 1pma s THR 3 Cb -0.04 -0.77 0.03 0.00 1.34 0.00 0.00 72.50 73.06 1pma s THR 3 CO -0.01 -0.50 0.36 0.54 -0.54 0.00 0.00 174.62 174.48 1pma s VAL 4 N -1.84 0.01 -0.02 2.29 0.11 0.04 -1.17 120.40 119.80 1pma s VAL 4 Ca -0.07 -0.06 0.07 0.00 -2.93 0.00 0.00 61.98 58.99 1pma s VAL 4 Cb -0.07 -0.54 -0.02 0.00 -1.53 0.00 0.00 36.38 34.23 1pma s VAL 4 CO -0.01 -0.04 -0.23 -0.83 -3.33 0.00 0.00 175.10 170.67 1pma s GLY 5 N -0.03 1.13 -0.01 6.54 0.00 -0.45 -1.87 107.32 112.64 1pma s GLY 5 Ca -0.02 -0.98 -0.00 0.00 0.00 0.00 0.00 44.72 43.72 1pma s GLY 5 CO 0.01 -0.78 0.02 -1.50 0.00 0.00 0.00 173.10 170.86 1pma s ILE 6 N -0.46 -0.04 -0.12 0.90 2.07 -0.58 -1.18 121.20 121.79 1pma s ILE 6 Ca 0.07 0.13 -0.06 0.00 -1.41 0.00 0.00 60.65 59.37 1pma s ILE 6 Cb -0.10 -0.06 -0.04 0.00 0.13 0.00 0.00 42.46 42.40 1pma s ILE 6 CO -0.00 0.05 0.12 -0.89 -1.91 0.00 0.00 174.94 172.31 1pma s THR 7 N 0.65 5.33 -0.25 4.00 2.01 0.19 -1.53 115.64 126.05 1pma s THR 7 Ca -0.05 0.14 -0.21 0.00 0.31 0.00 0.00 61.69 61.88 1pma s THR 7 Cb -0.08 -3.32 0.07 0.00 0.01 0.00 0.00 72.50 69.18 1pma s THR 7 CO -0.02 0.61 0.66 -1.48 -0.69 0.00 0.00 174.62 173.70 1pma s LEU 8 N -0.94 -0.60 0.00 4.42 0.05 -0.78 -4.87 118.68 115.96 1pma s LEU 8 Ca 0.14 1.36 0.00 0.00 0.05 0.00 0.00 54.13 55.68 1pma s LEU 8 Cb -0.12 2.27 0.00 0.00 -2.05 0.00 0.00 46.19 46.29 1pma s LEU 8 CO 0.03 -0.23 0.00 1.17 -0.55 0.00 0.00 176.35 176.77 1pma n LYS 9 N 3.06 0.00 -2.45 1.48 3.00 -1.26 -0.12 118.16 121.87 1pma n LYS 9 Ca -0.15 0.00 -0.14 0.00 -0.00 0.00 0.00 58.31 58.02 1pma n LYS 9 Cb 0.56 0.00 0.03 0.00 0.00 0.00 0.00 35.03 35.62 1pma n LYS 9 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 1pma n ASP 10 N 0.44 3.27 -3.66 3.14 8.00 -1.26 -4.80 116.55 121.68 1pma n ASP 10 Ca 0.00 -2.99 -0.05 0.00 0.71 0.00 0.00 54.79 52.46 1pma n ASP 10 Cb 0.00 -0.43 -0.02 0.00 -0.02 0.00 0.00 41.12 40.66 1pma n ASP 10 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1pma s ALA 11 N -3.62 -1.71 -0.04 2.24 0.00 0.83 -4.47 121.76 114.99 1pma s ALA 11 Ca 0.39 0.45 0.01 0.00 0.00 0.00 0.00 51.96 52.81 1pma s ALA 11 Cb 0.38 0.57 0.02 0.00 0.00 0.00 0.00 23.12 24.09 1pma s ALA 11 CO -0.02 -0.91 -0.05 0.54 0.00 0.00 0.00 175.76 175.33 1pma s VAL 12 N -3.24 0.53 -0.04 0.00 0.11 -0.61 -1.87 120.40 115.27 1pma s VAL 12 Ca 0.09 -0.14 0.03 0.00 -2.93 0.00 0.00 61.98 59.04 1pma s VAL 12 Cb -0.01 -0.54 -0.03 0.00 -1.53 0.00 0.00 36.38 34.27 1pma s VAL 12 CO -0.02 0.21 -0.13 -0.63 -3.33 0.00 0.00 175.10 171.20 1pma s ILE 13 N 0.75 3.21 -0.02 7.04 1.01 -0.58 -0.41 121.20 132.20 1pma s ILE 13 Ca -0.10 -0.73 0.01 0.00 0.00 0.00 0.00 60.65 59.82 1pma s ILE 13 Cb -0.13 -2.29 0.01 0.00 0.01 0.00 0.00 42.46 40.06 1pma s ILE 13 CO 0.00 0.55 -0.01 -0.04 0.00 0.00 0.00 174.94 175.44 1pma s MET 14 N -0.89 0.21 0.07 2.79 -1.94 0.51 -1.53 119.30 118.53 1pma s MET 14 Ca 0.13 0.01 -0.09 0.00 -1.71 0.00 0.00 55.69 54.03 1pma s MET 14 Cb -0.11 -0.31 -0.00 0.00 2.01 0.00 0.00 34.83 36.42 1pma s MET 14 CO 0.02 -0.05 0.19 0.00 -0.01 0.00 0.00 175.02 175.17 1pma s ALA 15 N 0.51 -0.26 0.16 3.03 0.00 -0.78 -0.35 121.76 124.06 1pma s ALA 15 Ca -0.05 -0.50 -0.14 0.00 0.00 0.00 0.00 51.96 51.28 1pma s ALA 15 Cb -0.07 0.40 0.01 0.00 0.00 0.00 0.00 23.12 23.46 1pma s ALA 15 CO -0.01 -0.45 0.39 0.95 0.00 0.00 0.00 175.76 176.64 1pma s THR 16 N -3.36 0.06 0.00 0.00 -4.23 -0.90 -0.78 115.64 106.42 1pma s THR 16 Ca 0.01 -0.97 0.00 0.00 -1.18 0.00 0.00 61.69 59.55 1pma s THR 16 Cb 0.03 -1.55 0.00 0.00 1.34 0.00 0.00 72.50 72.32 1pma s THR 16 CO -0.08 -0.27 0.00 -1.84 -0.54 0.00 0.00 174.62 171.88 1pma n GLU 17 N -0.25 2.86 -2.45 3.99 -0.00 -0.98 -1.37 120.64 122.44 1pma n GLU 17 Ca -0.11 0.00 -0.02 0.00 -0.00 0.00 0.00 57.16 57.03 1pma n GLU 17 Cb 0.63 0.00 0.09 0.00 -0.00 0.00 0.00 31.44 32.16 1pma n GLU 17 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.13 180.02 1pma n ARG 18 N 0.00 1.22 -3.47 3.44 1.85 -0.33 -4.67 116.66 114.70 1pma n ARG 18 Ca 0.00 -1.61 -0.37 0.00 -1.00 0.00 0.00 57.85 54.87 1pma n ARG 18 Cb 0.00 0.07 -0.07 0.00 -1.05 0.00 0.00 32.46 31.40 1pma n ARG 18 CO 0.00 0.00 0.00 0.50 -0.01 0.00 0.00 177.63 178.12 1pma s ARG 19 N -0.58 4.24 -0.19 2.89 3.52 -0.91 -0.83 118.95 127.09 1pma s ARG 19 Ca 0.12 0.16 -0.02 0.00 -0.13 0.00 0.00 55.73 55.86 1pma s ARG 19 Cb 0.37 -3.46 -0.01 0.00 -1.56 0.00 0.00 34.95 30.29 1pma s ARG 19 CO -0.10 0.14 -0.08 0.14 -0.81 0.00 0.00 175.30 174.59 1pma s VAL 20 N 0.75 3.20 0.22 7.11 -7.23 0.16 -4.64 120.40 119.97 1pma s VAL 20 Ca 0.18 -0.57 0.07 0.00 -1.81 0.00 0.00 61.98 59.85 1pma s VAL 20 Cb -0.14 -2.41 -0.05 0.00 0.56 0.00 0.00 36.38 34.34 1pma s VAL 20 CO 0.06 0.47 -0.12 0.28 -0.31 0.00 0.00 175.10 175.48 1pma s THR 21 N 1.05 1.66 -0.59 5.32 -1.32 -1.26 -1.47 115.64 119.03 1pma s THR 21 Ca 0.00 -2.18 0.04 0.00 -1.21 0.00 0.00 61.69 58.35 1pma s THR 21 Cb -0.15 -2.15 0.15 0.00 -1.51 0.00 0.00 72.50 68.84 1pma s THR 21 CO -0.01 -0.52 0.36 -0.32 -2.21 0.00 0.00 174.62 171.93 1pma s MET 22 N -3.68 2.10 4.09 7.08 -2.45 -0.33 -4.91 119.30 121.21 1pma s MET 22 Ca 0.24 -2.88 0.00 0.00 -1.25 0.00 0.00 55.69 51.80 1pma s MET 22 Cb 0.01 -3.22 0.00 0.00 1.25 0.00 0.00 34.83 32.86 1pma s MET 22 CO 0.08 -1.20 0.00 0.39 1.05 0.00 0.00 175.02 175.34 1pma n GLU 23 N 2.63 0.00 -0.03 4.11 1.02 -1.26 -1.95 120.64 125.16 1pma n GLU 23 Ca 0.13 0.00 0.01 0.00 -0.02 0.00 0.00 57.16 57.28 1pma n GLU 23 Cb 0.34 0.00 -0.09 0.00 -0.02 0.00 0.00 31.44 31.67 1pma n GLU 23 CO 0.00 0.00 0.00 0.27 1.18 0.00 0.00 177.13 178.58 1pma n ASN 24 N 7.36 2.29 -4.55 1.62 6.94 -1.26 -4.87 115.26 122.80 1pma n ASN 24 Ca 0.00 0.00 -0.36 0.00 -0.02 0.00 0.00 54.58 54.20 1pma n ASN 24 Cb 0.00 1.22 -0.04 0.00 -2.36 0.00 0.00 39.78 38.61 1pma n ASN 24 CO 0.00 0.00 0.00 0.12 -1.03 0.00 0.00 177.26 176.35 1pma s PHE 25 N -2.59 1.81 -0.53 -2.53 5.36 -0.82 -4.91 117.98 113.76 1pma s PHE 25 Ca -0.05 0.58 -0.28 0.00 -0.96 0.00 0.00 56.93 56.22 1pma s PHE 25 Cb 0.06 -4.17 0.01 0.00 -0.34 0.00 0.00 43.02 38.58 1pma s PHE 25 CO 0.47 -2.13 1.39 -1.50 -1.46 0.00 0.00 175.22 172.00 1pma s ILE 26 N 8.76 3.84 -0.12 3.12 -1.16 -1.26 -1.18 121.20 133.20 1pma s ILE 26 Ca 0.63 0.76 -0.05 0.00 -0.51 0.00 0.00 60.65 61.48 1pma s ILE 26 Cb -0.10 -4.41 -0.26 0.00 0.61 0.00 0.00 42.46 38.30 1pma s ILE 26 CO 0.13 -1.09 0.36 0.80 -2.81 0.00 0.00 174.94 172.33 1pma n MET 27 N 8.49 0.75 -4.14 3.50 0.00 -1.15 -4.89 117.12 119.68 1pma n MET 27 Ca 0.13 0.26 -0.30 0.00 -0.00 0.00 0.00 57.70 57.79 1pma n MET 27 Cb 0.49 -1.71 -0.17 0.00 0.00 0.00 0.00 33.22 31.84 1pma n MET 27 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 175.97 174.96 1pma s HIS 28 N -2.56 2.09 -0.32 1.12 3.76 -0.54 -5.00 115.29 113.84 1pma s HIS 28 Ca -0.22 -1.12 0.22 0.00 -0.15 0.00 0.00 55.06 53.79 1pma s HIS 28 Cb 0.07 -1.54 0.17 0.00 1.11 0.00 0.00 32.58 32.39 1pma s HIS 28 CO 0.77 -0.61 1.36 0.87 -0.85 0.00 0.00 174.74 176.28 1pma h LYS 29 N 7.88 0.00 -2.77 1.40 1.57 -1.84 0.49 116.57 123.30 1pma h LYS 29 Ca -0.36 0.00 -0.60 0.00 -1.87 0.00 0.00 60.65 57.82 1pma h LYS 29 Cb 1.15 0.00 -0.40 0.00 0.08 0.00 0.00 32.23 33.06 1pma h LYS 29 CO 0.51 0.07 -0.78 -0.80 -0.57 0.00 0.00 179.45 177.88 1pma s ASN 30 N -5.94 3.14 0.50 0.86 -0.87 -1.24 -4.24 114.94 107.16 1pma s ASN 30 Ca 0.04 -3.12 0.09 0.00 -1.57 0.00 0.00 52.86 48.29 1pma s ASN 30 Cb 0.07 -0.96 0.05 0.00 -0.02 0.00 0.00 41.25 40.39 1pma s ASN 30 CO 0.73 -0.18 0.69 -0.83 -2.57 0.00 0.00 177.10 174.94 1pma s GLY 31 N -0.24 1.83 -0.06 0.66 0.00 -0.01 -5.04 107.32 104.45 1pma s GLY 31 Ca 0.25 -1.93 0.05 0.00 0.00 0.00 0.00 44.72 43.10 1pma s GLY 31 CO -0.12 -1.59 -0.23 1.25 0.00 0.00 0.00 173.10 172.41 1pma s LYS 32 N -4.53 2.63 0.00 2.90 2.20 -1.26 -4.75 119.74 116.93 1pma s LYS 32 Ca 0.59 -0.86 0.00 0.00 -0.36 0.00 0.00 55.97 55.34 1pma s LYS 32 Cb -0.08 -2.23 0.00 0.00 -1.51 0.00 0.00 37.83 34.01 1pma s LYS 32 CO 0.36 0.39 0.38 1.63 -0.36 0.00 0.00 175.35 177.76 1pma n LYS 33 N 2.93 -0.24 -4.69 4.03 5.02 -1.26 -4.97 118.16 118.98 1pma n LYS 33 Ca -0.17 -0.43 -0.33 0.00 -2.02 0.00 0.00 58.31 55.36 1pma n LYS 33 Cb 0.52 -0.81 -0.16 0.00 -0.02 0.00 0.00 35.03 34.56 1pma n LYS 33 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 1pma s LEU 34 N -0.09 2.30 -0.01 -0.35 2.96 -1.26 -1.99 118.68 120.24 1pma s LEU 34 Ca 0.00 -0.52 0.02 0.00 -0.22 0.00 0.00 54.13 53.40 1pma s LEU 34 Cb 0.00 -1.50 0.00 0.00 0.50 0.00 0.00 46.19 45.19 1pma s LEU 34 CO 0.00 0.10 -0.05 -0.36 -1.32 0.00 0.00 176.35 174.72 1pma s PHE 35 N 0.73 0.51 0.21 5.38 0.08 -0.38 -5.01 117.98 119.50 1pma s PHE 35 Ca -0.08 -0.10 -0.29 0.00 0.12 0.00 0.00 56.93 56.58 1pma s PHE 35 Cb -0.16 -0.37 -0.08 0.00 -0.57 0.00 0.00 43.02 41.84 1pma s PHE 35 CO 0.01 -0.04 0.92 -1.14 -0.10 0.00 0.00 175.22 174.87 1pma s GLN 36 N 0.10 4.80 -0.00 0.44 0.74 -1.26 -0.77 119.66 123.71 1pma s GLN 36 Ca -0.01 1.44 0.02 0.00 0.05 0.00 0.00 55.36 56.87 1pma s GLN 36 Cb -0.05 -3.29 -0.03 0.00 1.10 0.00 0.00 33.01 30.74 1pma s GLN 36 CO -0.00 0.48 0.07 1.51 -0.55 0.00 0.00 175.29 176.80 1pma n ILE 37 N 1.69 0.00 -3.57 -2.34 3.06 0.15 -4.90 119.36 113.45 1pma n ILE 37 Ca -0.02 -0.25 -0.07 0.00 -2.50 0.00 0.00 62.75 59.91 1pma n ILE 37 Cb 0.47 0.73 -0.03 0.00 0.54 0.00 0.00 39.64 41.36 1pma n ILE 37 CO 0.00 0.00 0.00 -0.62 -2.50 0.00 0.00 176.55 173.43 1pma s ASP 38 N -1.71 -0.25 0.21 9.51 2.15 -0.90 -4.71 116.67 120.97 1pma s ASP 38 Ca 0.00 0.10 0.04 0.00 0.43 0.00 0.00 52.55 53.12 1pma s ASP 38 Cb 0.01 0.25 0.58 0.00 -0.30 0.00 0.00 42.92 43.46 1pma s ASP 38 CO 0.09 -0.36 0.99 0.35 -0.17 0.00 0.00 175.17 176.07 1pma n THR 39 N 0.11 -0.27 -1.95 1.71 -2.24 -1.26 0.21 114.28 110.60 1pma n THR 39 Ca -0.05 1.36 -0.14 0.00 -2.27 0.00 0.00 64.05 62.95 1pma n THR 39 Cb 0.59 -2.04 0.08 0.00 -2.10 0.00 0.00 70.33 66.86 1pma n THR 39 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 1pma n TYR 40 N -4.72 1.84 -3.63 4.78 4.01 -1.26 -3.19 117.16 114.99 1pma n TYR 40 Ca 0.17 -1.98 -0.15 0.00 -0.16 0.00 0.00 57.90 55.79 1pma n TYR 40 Cb 0.57 -0.31 -0.07 0.00 -0.31 0.00 0.00 39.34 39.22 1pma n TYR 40 CO 0.00 0.00 0.00 -0.08 -0.46 0.00 0.00 176.86 176.32 1pma s THR 41 N -4.08 0.01 0.18 -0.72 -1.32 0.13 -2.10 115.64 107.73 1pma s THR 41 Ca 0.46 -0.05 0.02 0.00 -1.21 0.00 0.00 61.69 60.91 1pma s THR 41 Cb 0.39 -0.87 -0.05 0.00 -1.51 0.00 0.00 72.50 70.46 1pma s THR 41 CO 0.00 -0.03 -0.01 -0.83 -2.21 0.00 0.00 174.62 171.54 1pma s GLY 42 N -0.30 1.24 -0.01 6.08 0.00 0.25 0.32 107.32 114.89 1pma s GLY 42 Ca -0.05 -1.60 -0.03 0.00 0.00 0.00 0.00 44.72 43.04 1pma s GLY 42 CO 0.04 -1.55 0.07 -0.29 0.00 0.00 0.00 173.10 171.37 1pma s MET 43 N -3.89 0.23 -0.15 2.90 1.75 0.05 -0.53 119.30 119.67 1pma s MET 43 Ca 0.23 -0.15 0.01 0.00 -1.25 0.00 0.00 55.69 54.54 1pma s MET 43 Cb 0.06 0.10 0.01 0.00 2.84 0.00 0.00 34.83 37.83 1pma s MET 43 CO 0.04 -0.04 -0.18 0.95 -0.65 0.00 0.00 175.02 175.13 1pma s THR 44 N -0.58 2.37 0.08 10.11 -4.23 -0.01 -1.25 115.64 122.13 1pma s THR 44 Ca -0.07 -0.87 -0.19 0.00 -1.18 0.00 0.00 61.69 59.39 1pma s THR 44 Cb -0.04 -1.98 -0.07 0.00 1.34 0.00 0.00 72.50 71.75 1pma s THR 44 CO 0.00 0.53 0.57 -0.63 -0.54 0.00 0.00 174.62 174.55 1pma s ILE 45 N 0.89 4.75 -0.29 2.99 1.01 -0.84 -2.60 121.20 127.10 1pma s ILE 45 Ca -0.05 1.18 -0.13 0.00 0.00 0.00 0.00 60.65 61.66 1pma s ILE 45 Cb -0.15 -3.88 0.12 0.00 0.01 0.00 0.00 42.46 38.56 1pma s ILE 45 CO -0.02 0.53 0.74 0.00 0.00 0.00 0.00 174.94 176.19 1pma s ALA 46 N -1.14 -2.13 0.00 9.38 0.00 -1.16 -4.88 121.76 121.83 1pma s ALA 46 Ca 0.30 2.31 0.00 0.00 0.00 0.00 0.00 51.96 54.57 1pma s ALA 46 Cb -0.19 -1.72 0.00 0.00 0.00 0.00 0.00 23.12 21.21 1pma s ALA 46 CO 0.19 -0.73 0.00 0.41 0.00 0.00 0.00 175.76 175.62 1pma n GLY 47 N 4.92 0.44 3.65 0.00 0.00 -1.26 0.13 105.19 113.06 1pma n GLY 47 Ca -0.14 -1.28 -0.43 0.00 0.00 0.00 0.00 46.02 44.17 1pma n GLY 47 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1pma s LEU 48 N 0.00 4.02 0.08 0.99 2.96 -0.22 -4.97 118.68 121.53 1pma s LEU 48 Ca 0.00 1.19 -0.19 0.00 -0.22 0.00 0.00 54.13 54.91 1pma s LEU 48 Cb 0.00 -3.51 -0.06 0.00 0.50 0.00 0.00 46.19 43.12 1pma s LEU 48 CO 0.00 -0.76 1.31 -0.37 -1.32 0.00 0.00 176.35 175.22 1pma h VAL 49 N 5.58 0.00 -0.98 1.68 -1.51 -1.96 0.04 116.25 119.09 1pma h VAL 49 Ca -0.20 0.00 0.10 0.00 -1.23 0.00 0.00 66.70 65.37 1pma h VAL 49 Cb 1.06 0.00 -0.13 0.00 -2.13 0.00 0.00 31.29 30.09 1pma h VAL 49 CO 1.00 0.00 -0.53 0.61 -1.23 0.00 0.00 177.57 177.41 1pma n GLY 50 N -1.21 -2.42 0.09 5.19 0.00 -1.26 -0.25 105.19 105.32 1pma n GLY 50 Ca -0.02 1.15 -0.10 0.00 0.00 0.00 0.00 46.02 47.06 1pma n GLY 50 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1pma h ASP 51 N 0.00 0.01 0.13 1.61 3.32 -1.84 -2.43 116.42 117.23 1pma h ASP 51 Ca 0.20 0.02 0.02 0.00 0.02 0.00 0.00 57.03 57.29 1pma h ASP 51 Cb 0.45 0.03 -0.04 0.00 0.22 0.00 0.00 39.33 39.99 1pma h ASP 51 CO -0.94 0.03 -0.31 0.00 -1.72 0.00 0.00 179.24 176.31 1pma h ALA 52 N 1.10 -0.53 0.30 3.45 0.00 0.69 -0.95 119.26 123.32 1pma h ALA 52 Ca 0.06 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 1pma h ALA 52 Cb 0.05 0.50 -0.03 0.00 0.00 0.00 0.00 17.79 18.32 1pma h ALA 52 CO -0.08 -0.85 -0.42 1.96 0.00 0.00 0.00 179.25 179.86 1pma h GLN 53 N -0.54 -0.72 -0.60 0.00 4.20 -0.43 -0.34 115.11 116.68 1pma h GLN 53 Ca 0.03 0.05 0.15 0.00 0.06 0.00 0.00 58.65 58.94 1pma h GLN 53 Cb 0.56 0.16 -0.03 0.00 0.30 0.00 0.00 27.48 28.47 1pma h GLN 53 CO -0.17 -0.48 0.42 -0.24 -0.67 0.00 0.00 178.83 177.69 1pma h VAL 54 N -0.74 0.75 -0.57 -0.54 3.04 -1.41 0.60 116.25 117.38 1pma h VAL 54 Ca -0.04 -0.04 -0.10 0.00 -1.01 0.00 0.00 66.70 65.51 1pma h VAL 54 Cb 0.67 0.63 -0.02 0.00 -2.01 0.00 0.00 31.29 30.56 1pma h VAL 54 CO -0.11 0.02 -0.05 0.25 -1.01 0.00 0.00 177.57 176.67 1pma h LEU 55 N 0.12 1.02 -0.75 3.16 5.85 -0.16 -2.37 115.31 122.17 1pma h LEU 55 Ca 0.29 -0.31 -0.04 0.00 0.84 0.00 0.00 57.88 58.66 1pma h LEU 55 Cb 0.97 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 41.69 1pma h LEU 55 CO -0.03 1.09 0.31 1.62 -0.34 0.00 0.00 178.44 181.09 1pma h VAL 56 N 0.93 1.25 -0.14 1.05 3.04 0.19 -2.25 116.25 120.32 1pma h VAL 56 Ca 0.16 -0.78 -0.01 0.00 -1.01 0.00 0.00 66.70 65.05 1pma h VAL 56 Cb 0.60 0.36 -0.01 0.00 -2.01 0.00 0.00 31.29 30.24 1pma h VAL 56 CO 0.04 0.32 0.05 0.03 -1.01 0.00 0.00 177.57 177.00 1pma h ARG 57 N 1.08 0.21 0.22 4.17 3.08 -1.29 0.61 114.38 122.46 1pma h ARG 57 Ca 0.25 -0.04 0.01 0.00 0.07 0.00 0.00 59.98 60.27 1pma h ARG 57 Cb 0.20 -0.03 -0.03 0.00 0.08 0.00 0.00 29.97 30.19 1pma h ARG 57 CO -0.02 0.31 -0.31 1.88 -1.07 0.00 0.00 179.97 180.77 1pma h TYR 58 N 0.05 -0.82 -0.51 3.04 -1.99 -1.35 -1.23 116.97 114.17 1pma h TYR 58 Ca 0.04 0.01 0.10 0.00 2.00 0.00 0.00 58.73 60.89 1pma h TYR 58 Cb 0.19 0.33 -0.10 0.00 2.00 0.00 0.00 36.73 39.15 1pma h TYR 58 CO -0.01 -0.43 -0.18 1.98 -0.00 0.00 0.00 178.16 179.52 1pma h MET 59 N -0.59 -0.06 0.10 4.88 4.05 -1.26 0.16 114.93 122.21 1pma h MET 59 Ca 0.01 0.00 0.01 0.00 -0.28 0.00 0.00 59.70 59.44 1pma h MET 59 Cb 0.57 0.01 -0.04 0.00 -0.80 0.00 0.00 31.60 31.35 1pma h MET 59 CO -0.11 -0.04 -0.44 -0.22 0.23 0.00 0.00 176.91 176.33 1pma h LYS 60 N -0.06 -0.60 0.17 0.39 3.64 -0.40 -1.16 116.57 118.54 1pma h LYS 60 Ca 0.24 0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.65 1pma h LYS 60 Cb 0.43 0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.39 1pma h LYS 60 CO -0.55 -0.40 -0.08 0.00 -2.27 0.00 0.00 179.45 176.14 1pma h ALA 61 N -0.72 -0.23 -0.98 5.00 0.00 -0.80 -1.91 119.26 119.62 1pma h ALA 61 Ca -0.00 -0.06 0.23 0.00 0.00 0.00 0.00 54.91 55.08 1pma h ALA 61 Cb 0.63 0.09 -0.12 0.00 0.00 0.00 0.00 17.79 18.38 1pma h ALA 61 CO -0.24 -0.62 0.56 1.49 0.00 0.00 0.00 179.25 180.44 1pma h GLU 62 N -0.25 0.55 0.10 0.00 4.57 -0.48 -0.10 114.58 118.98 1pma h GLU 62 Ca -0.02 -0.03 -0.00 0.00 -1.18 0.00 0.00 59.36 58.12 1pma h GLU 62 Cb 0.19 -0.12 0.00 0.00 -0.16 0.00 0.00 28.75 28.66 1pma h GLU 62 CO 0.04 0.37 -0.05 -0.07 -1.18 0.00 0.00 179.01 178.12 1pma h LEU 63 N 0.57 -0.12 -0.33 1.64 4.07 -0.88 -2.26 115.31 118.01 1pma h LEU 63 Ca 0.62 -0.35 0.07 0.00 0.08 0.00 0.00 57.88 58.31 1pma h LEU 63 Cb 1.16 0.03 -0.08 0.00 1.08 0.00 0.00 40.66 42.85 1pma h LEU 63 CO -0.47 0.30 -0.23 -0.08 -1.08 0.00 0.00 178.44 176.88 1pma h GLU 64 N -0.56 -0.19 -0.48 1.13 4.81 -0.29 -0.09 114.58 118.91 1pma h GLU 64 Ca -0.01 0.01 0.08 0.00 -0.13 0.00 0.00 59.36 59.31 1pma h GLU 64 Cb 0.45 0.04 -0.07 0.00 0.63 0.00 0.00 28.75 29.81 1pma h GLU 64 CO 0.02 -0.12 0.10 1.25 -0.73 0.00 0.00 179.01 179.53 1pma h LEU 65 N -0.19 0.00 -0.28 1.64 5.85 -1.15 -0.99 115.31 120.19 1pma h LEU 65 Ca 0.17 0.09 0.05 0.00 0.84 0.00 0.00 57.88 59.02 1pma h LEU 65 Cb 0.45 0.12 -0.05 0.00 0.37 0.00 0.00 40.66 41.55 1pma h LEU 65 CO -0.44 0.03 -0.02 0.22 -0.34 0.00 0.00 178.44 177.89 1pma h TYR 66 N 0.23 -0.05 -0.23 1.25 5.03 -0.52 -0.95 116.97 121.73 1pma h TYR 66 Ca 0.24 0.02 0.06 0.00 2.58 0.00 0.00 58.73 61.63 1pma h TYR 66 Cb 0.32 0.06 -0.06 0.00 1.55 0.00 0.00 36.73 38.60 1pma h TYR 66 CO -0.22 -0.07 -0.15 -0.09 -1.32 0.00 0.00 178.16 176.31 1pma h ARG 67 N 0.06 -0.14 -0.10 1.82 2.43 0.22 0.31 114.38 118.98 1pma h ARG 67 Ca 0.13 0.01 0.01 0.00 -0.81 0.00 0.00 59.98 59.32 1pma h ARG 67 Cb 0.18 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.75 1pma h ARG 67 CO -0.24 -0.09 0.04 -0.07 -1.51 0.00 0.00 179.97 178.10 1pma h LEU 68 N -0.14 0.05 -0.97 3.80 4.07 -1.04 0.11 115.31 121.19 1pma h LEU 68 Ca 0.13 0.01 -0.10 0.00 0.08 0.00 0.00 57.88 58.00 1pma h LEU 68 Cb 0.34 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.07 1pma h LEU 68 CO -0.32 0.04 -0.33 1.56 -1.08 0.00 0.00 178.44 178.31 1pma h GLN 69 N 0.09 0.33 -0.02 1.13 4.20 -0.61 -3.23 115.11 117.00 1pma h GLN 69 Ca 0.04 -0.14 0.00 0.00 0.06 0.00 0.00 58.65 58.61 1pma h GLN 69 Cb 0.02 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 27.78 1pma h GLN 69 CO -0.04 0.63 -0.06 0.54 -0.67 0.00 0.00 178.83 179.23 1pma n ARG 70 N -4.08 1.71 -1.22 1.46 1.74 0.10 -4.97 116.66 111.40 1pma n ARG 70 Ca -0.01 -1.57 -0.08 0.00 -0.77 0.00 0.00 57.85 55.43 1pma n ARG 70 Cb 0.44 -1.38 -0.03 0.00 -1.02 0.00 0.00 32.46 30.47 1pma n ARG 70 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 1pma n ARG 71 N 0.94 -1.67 -3.85 5.56 3.00 0.37 -4.93 116.66 116.09 1pma n ARG 71 Ca 0.11 0.75 -0.09 0.00 -0.00 0.00 0.00 57.85 58.61 1pma n ARG 71 Cb 0.48 -5.12 -0.07 0.00 0.00 0.00 0.00 32.46 27.76 1pma n ARG 71 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 1pma s VAL 72 N -1.71 0.11 0.36 5.15 0.11 -1.20 -5.04 120.40 118.17 1pma s VAL 72 Ca 0.00 -1.14 -0.24 0.00 -2.93 0.00 0.00 61.98 57.67 1pma s VAL 72 Cb 0.00 -1.45 -0.10 0.00 -1.53 0.00 0.00 36.38 33.29 1pma s VAL 72 CO 0.00 -0.49 0.95 0.20 -3.33 0.00 0.00 175.10 172.43 1pma s ASN 73 N -2.88 7.18 0.13 3.54 -0.87 -1.26 -4.07 114.94 116.70 1pma s ASN 73 Ca 0.08 1.81 -0.30 0.00 -1.57 0.00 0.00 52.86 52.87 1pma s ASN 73 Cb 0.04 -2.57 -0.07 0.00 -0.02 0.00 0.00 41.25 38.63 1pma s ASN 73 CO -0.08 -0.19 1.22 -0.32 -2.57 0.00 0.00 177.10 175.16 1pma s MET 74 N -2.42 4.45 0.61 -0.60 -2.45 -1.26 -4.98 119.30 112.64 1pma s MET 74 Ca 0.54 1.86 -0.19 0.00 -1.25 0.00 0.00 55.69 56.65 1pma s MET 74 Cb -0.16 -3.28 -0.02 0.00 1.25 0.00 0.00 34.83 32.61 1pma s MET 74 CO 0.21 -0.19 1.32 -2.14 1.05 0.00 0.00 175.02 175.27 1pma s PRO 75 N 0.42 2.75 0.11 4.11 0.02 -1.26 -4.79 135.00 136.36 1pma s PRO 75 Ca 0.56 2.14 -0.23 0.00 0.02 0.00 0.00 61.00 63.49 1pma s PRO 75 Cb -0.32 -1.99 -0.07 0.00 0.02 0.00 0.00 34.50 32.14 1pma s PRO 75 CO 0.33 -1.46 1.69 0.82 -0.33 0.00 0.00 177.00 178.04 1pma h ILE 76 N 0.86 0.70 -0.93 2.83 1.08 -1.94 -0.55 117.51 119.56 1pma h ILE 76 Ca -0.51 0.00 0.19 0.00 -0.39 0.00 0.00 64.86 64.15 1pma h ILE 76 Cb 1.33 0.70 -0.08 0.00 -3.07 0.00 0.00 36.82 35.70 1pma h ILE 76 CO 0.55 0.00 0.60 -0.08 -0.69 0.00 0.00 178.15 178.53 1pma h GLU 77 N -0.18 0.56 0.07 2.37 4.81 -1.98 0.11 114.58 120.33 1pma h GLU 77 Ca 0.05 -0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 59.25 1pma h GLU 77 Cb 0.25 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 29.51 1pma h GLU 77 CO -0.14 0.37 -0.03 0.00 -0.73 0.00 0.00 179.01 178.48 1pma h ALA 78 N 1.61 -0.09 -0.77 2.92 0.00 -1.50 0.10 119.26 121.53 1pma h ALA 78 Ca 0.50 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.30 1pma h ALA 78 Cb 0.99 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.78 1pma h ALA 78 CO -0.24 -0.47 0.44 -0.24 0.00 0.00 0.00 179.25 178.74 1pma h VAL 79 N -0.25 1.22 0.19 0.00 3.04 0.26 -0.04 116.25 120.66 1pma h VAL 79 Ca -0.01 -0.54 0.00 0.00 -1.01 0.00 0.00 66.70 65.15 1pma h VAL 79 Cb 0.22 0.16 -0.02 0.00 -2.01 0.00 0.00 31.29 29.65 1pma h VAL 79 CO 0.01 0.25 -0.18 0.00 -1.01 0.00 0.00 177.57 176.64 1pma h ALA 80 N 1.41 -0.36 -0.20 3.17 0.00 -0.71 -1.81 119.26 120.75 1pma h ALA 80 Ca 0.27 -0.05 0.05 0.00 0.00 0.00 0.00 54.91 55.19 1pma h ALA 80 Cb 0.00 0.25 -0.06 0.00 0.00 0.00 0.00 17.79 17.99 1pma h ALA 80 CO -0.05 -0.73 -0.18 1.15 0.00 0.00 0.00 179.25 179.44 1pma h THR 81 N -0.39 0.51 -0.37 0.00 2.02 -0.15 -0.04 112.91 114.48 1pma h THR 81 Ca 0.00 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.25 1pma h THR 81 Cb 0.37 0.51 -0.09 0.00 -1.74 0.00 0.00 68.15 67.20 1pma h THR 81 CO -0.04 0.00 -0.41 0.25 0.37 0.00 0.00 175.52 175.69 1pma h LEU 82 N -0.20 -1.35 -0.84 2.58 5.85 -0.70 0.13 115.31 120.79 1pma h LEU 82 Ca 0.12 0.21 0.15 0.00 0.84 0.00 0.00 57.88 59.20 1pma h LEU 82 Cb 0.38 0.59 -0.10 0.00 0.37 0.00 0.00 40.66 41.91 1pma h LEU 82 CO -0.32 -0.37 0.42 0.25 -0.34 0.00 0.00 178.44 178.08 1pma h LEU 83 N -0.33 0.49 0.56 2.25 5.85 -0.60 0.73 115.31 124.25 1pma h LEU 83 Ca 0.14 0.10 -0.02 0.00 0.84 0.00 0.00 57.88 58.93 1pma h LEU 83 Cb 0.58 0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.63 1pma h LEU 83 CO -0.55 0.20 -0.36 -1.28 -0.34 0.00 0.00 178.44 176.11 1pma h SER 84 N 0.59 -0.92 -0.40 1.25 0.87 0.91 -0.22 113.55 115.64 1pma h SER 84 Ca 0.46 0.06 0.08 0.00 -1.23 0.00 0.00 61.79 61.16 1pma h SER 84 Cb 0.67 0.28 -0.07 0.00 -0.44 0.00 0.00 62.40 62.83 1pma h SER 84 CO -0.37 -0.56 -0.08 0.78 -0.53 0.00 0.00 176.83 176.07 1pma h ASN 85 N -0.88 -0.33 -0.13 6.23 4.21 0.54 -1.01 115.58 124.21 1pma h ASN 85 Ca -0.07 0.11 0.04 0.00 1.21 0.00 0.00 56.30 57.60 1pma h ASN 85 Cb 0.72 0.23 -0.04 0.00 -1.12 0.00 0.00 38.32 38.11 1pma h ASN 85 CO 0.06 -0.12 -0.11 0.24 -1.29 0.00 0.00 177.43 176.21 1pma h MET 86 N 0.02 -0.13 0.41 0.81 2.86 -0.73 -1.27 114.93 116.91 1pma h MET 86 Ca 0.19 0.01 -0.02 0.00 -2.06 0.00 0.00 59.70 57.82 1pma h MET 86 Cb 0.29 0.03 0.00 0.00 0.06 0.00 0.00 31.60 31.98 1pma h MET 86 CO -0.39 -0.08 -0.20 -0.07 1.06 0.00 0.00 176.91 177.23 1pma h LEU 87 N -0.13 -0.47 -0.97 1.22 4.07 -0.57 -3.27 115.31 115.19 1pma h LEU 87 Ca 0.09 -0.07 0.02 0.00 0.08 0.00 0.00 57.88 58.00 1pma h LEU 87 Cb 0.26 0.12 -0.05 0.00 1.08 0.00 0.00 40.66 42.06 1pma h LEU 87 CO -0.21 -0.20 0.64 -1.13 -1.08 0.00 0.00 178.44 176.45 1pma h ASN 88 N -0.73 1.08 0.00 -0.43 -0.73 -1.17 -1.11 115.58 112.50 1pma h ASN 88 Ca -0.06 -0.02 0.00 0.00 1.87 0.00 0.00 56.30 58.10 1pma h ASN 88 Cb 0.51 -0.26 0.00 0.00 0.27 0.00 0.00 38.32 38.85 1pma h ASN 88 CO 0.09 0.76 0.11 1.67 -0.37 0.00 0.00 177.43 179.69 1pma n GLN 89 N -4.44 0.05 -0.59 6.67 7.27 -0.48 -0.96 117.38 124.91 1pma n GLN 89 Ca 0.12 0.50 0.05 0.00 0.07 0.00 0.00 57.00 57.75 1pma n GLN 89 Cb 0.06 -1.79 0.09 0.00 2.41 0.00 0.00 30.24 31.01 1pma n GLN 89 CO 0.00 0.00 0.00 1.55 0.07 0.00 0.00 177.06 178.68 1pma n VAL 90 N -1.76 1.01 -0.37 1.69 3.14 -0.43 -4.89 118.33 116.71 1pma n VAL 90 Ca -0.01 -1.52 0.31 0.00 -2.96 0.00 0.00 64.34 60.16 1pma n VAL 90 Cb 0.12 0.23 0.61 0.00 -1.06 0.00 0.00 33.84 33.74 1pma n VAL 90 CO 0.00 0.00 0.00 0.07 -6.46 0.00 0.00 176.83 170.44 1pma h LYS 91 N 0.39 0.20 -0.00 1.45 2.10 -0.88 0.27 116.57 120.10 1pma h LYS 91 Ca -0.05 -0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.59 1pma h LYS 91 Cb 1.30 -0.05 0.00 0.00 -0.90 0.00 0.00 32.23 32.58 1pma h LYS 91 CO 0.02 0.13 -0.00 0.66 -2.00 0.00 0.00 179.45 178.26 1pma n TYR 92 N -4.52 0.00 -2.88 0.07 4.01 -1.26 -3.46 117.16 109.11 1pma n TYR 92 Ca 0.30 0.00 -0.12 0.00 -0.16 0.00 0.00 57.90 57.92 1pma n TYR 92 Cb 1.16 -0.12 0.05 0.00 -0.31 0.00 0.00 39.34 40.13 1pma n TYR 92 CO 0.00 0.00 0.00 -1.33 -0.46 0.00 0.00 176.86 175.07 1pma n MET 93 N -1.09 1.00 -0.84 -0.72 2.81 0.86 -5.15 117.12 114.00 1pma n MET 93 Ca 0.20 -2.41 -0.30 0.00 -1.81 0.00 0.00 57.70 53.38 1pma n MET 93 Cb 0.17 -1.26 0.16 0.00 -0.71 0.00 0.00 33.22 31.58 1pma n MET 93 CO 0.00 0.00 0.00 -1.25 1.51 0.00 0.00 175.97 176.23 1pma s PRO 94 N -0.61 0.93 -0.51 0.03 0.04 -0.74 -4.93 135.00 129.21 1pma s PRO 94 Ca 0.28 1.26 -0.20 0.00 0.04 0.00 0.00 61.00 62.38 1pma s PRO 94 Cb 0.31 -1.74 0.05 0.00 0.04 0.00 0.00 34.50 33.16 1pma s PRO 94 CO -0.06 -2.60 0.67 0.71 0.04 0.00 0.00 177.00 175.76 1pma s TYR 95 N -2.70 3.01 -1.16 0.56 2.02 -1.26 -4.96 117.35 112.86 1pma s TYR 95 Ca 0.66 -0.42 -0.23 0.00 -0.37 0.00 0.00 57.07 56.71 1pma s TYR 95 Cb -0.21 -3.59 -0.08 0.00 -0.40 0.00 0.00 41.96 37.67 1pma s TYR 95 CO 0.59 -1.06 1.93 -1.64 -1.57 0.00 0.00 175.55 173.80 1pma s MET 96 N 2.83 2.50 0.17 -0.62 -1.94 -1.26 -4.65 119.30 116.33 1pma s MET 96 Ca 0.18 -1.10 -0.05 0.00 -1.71 0.00 0.00 55.69 53.01 1pma s MET 96 Cb -0.18 -5.23 -0.03 0.00 2.01 0.00 0.00 34.83 31.41 1pma s MET 96 CO 0.14 -3.93 0.20 0.54 -0.01 0.00 0.00 175.02 171.95 1pma s VAL 97 N 10.93 0.05 -0.18 -6.03 0.11 -1.26 -1.06 120.40 122.97 1pma s VAL 97 Ca 0.68 -1.70 -0.05 0.00 -2.93 0.00 0.00 61.98 57.99 1pma s VAL 97 Cb -0.01 -2.10 0.06 0.00 -1.53 0.00 0.00 36.38 32.80 1pma s VAL 97 CO 0.12 -0.25 0.09 -1.58 -3.33 0.00 0.00 175.10 170.15 1pma s GLN 98 N -4.04 0.11 0.09 1.54 0.74 0.12 -3.16 119.66 115.05 1pma s GLN 98 Ca 0.25 -0.12 0.03 0.00 0.05 0.00 0.00 55.36 55.57 1pma s GLN 98 Cb 0.05 -1.83 -0.04 0.00 1.10 0.00 0.00 33.01 32.29 1pma s GLN 98 CO 0.04 -0.68 0.10 -0.51 -0.55 0.00 0.00 175.29 173.69 1pma s LEU 99 N 2.12 3.85 -0.12 3.68 1.43 -0.76 -2.98 118.68 125.89 1pma s LEU 99 Ca 0.02 0.00 -0.01 0.00 -1.03 0.00 0.00 54.13 53.11 1pma s LEU 99 Cb -0.16 -2.52 0.03 0.00 0.03 0.00 0.00 46.19 43.58 1pma s LEU 99 CO -0.10 0.16 -0.03 -0.22 0.23 0.00 0.00 176.35 176.40 1pma s LEU 100 N -2.46 1.10 -0.22 1.79 2.96 -1.07 -1.20 118.68 119.58 1pma s LEU 100 Ca 0.30 -0.40 0.02 0.00 -0.22 0.00 0.00 54.13 53.83 1pma s LEU 100 Cb -0.12 -0.69 0.04 0.00 0.50 0.00 0.00 46.19 45.92 1pma s LEU 100 CO 0.23 -0.19 -0.15 0.54 -1.32 0.00 0.00 176.35 175.46 1pma s VAL 101 N 1.80 2.08 0.26 1.68 0.11 -0.55 -0.83 120.40 124.95 1pma s VAL 101 Ca 0.03 -1.27 0.10 0.00 -2.93 0.00 0.00 61.98 57.91 1pma s VAL 101 Cb -0.14 -2.04 -0.05 0.00 -1.53 0.00 0.00 36.38 32.62 1pma s VAL 101 CO -0.07 0.24 -0.10 -0.83 -3.33 0.00 0.00 175.10 171.01 1pma s GLY 102 N 1.21 1.75 -0.07 6.54 0.00 0.31 -1.34 107.32 115.73 1pma s GLY 102 Ca -0.02 -1.71 -0.21 0.00 0.00 0.00 0.00 44.72 42.77 1pma s GLY 102 CO -0.09 -1.78 0.95 0.61 0.00 0.00 0.00 173.10 172.79 1pma n GLY 103 N -0.60 0.17 2.67 0.20 0.00 -0.60 -0.59 105.19 106.44 1pma n GLY 103 Ca -0.07 -0.95 -0.23 0.00 0.00 0.00 0.00 46.02 44.78 1pma n GLY 103 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1pma s ILE 104 N -2.00 -0.16 0.00 -0.61 2.07 -0.89 -0.71 121.20 118.90 1pma s ILE 104 Ca 0.23 -0.04 0.00 0.00 -1.41 0.00 0.00 60.65 59.43 1pma s ILE 104 Cb -0.00 -0.52 0.00 0.00 0.13 0.00 0.00 42.46 42.07 1pma s ILE 104 CO -0.02 -0.17 0.00 -0.90 -1.91 0.00 0.00 174.94 171.94 1pma n ASP 105 N 5.29 0.00 0.28 4.50 5.68 -1.26 -4.86 116.55 126.18 1pma n ASP 105 Ca -0.06 0.00 0.14 0.00 -0.50 0.00 0.00 54.79 54.37 1pma n ASP 105 Cb 0.49 0.00 0.81 0.00 -1.14 0.00 0.00 41.12 41.28 1pma n ASP 105 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1pma h THR 106 N 0.00 0.57 -3.06 2.12 1.03 -2.02 -3.45 112.91 108.11 1pma h THR 106 Ca 0.00 -0.29 0.05 0.00 -0.01 0.00 0.00 66.41 66.17 1pma h THR 106 Cb 0.00 1.18 -0.06 0.00 -1.07 0.00 0.00 68.15 68.20 1pma h THR 106 CO 0.00 0.06 0.20 0.00 -0.01 0.00 0.00 175.52 175.77 1pma s ALA 107 N -4.42 -1.15 0.67 0.00 0.00 -1.26 -5.16 121.76 110.44 1pma s ALA 107 Ca -0.04 -0.31 -0.15 0.00 0.00 0.00 0.00 51.96 51.46 1pma s ALA 107 Cb 0.14 0.87 0.01 0.00 0.00 0.00 0.00 23.12 24.14 1pma s ALA 107 CO 0.57 -1.01 1.12 -2.14 0.00 0.00 0.00 175.76 174.31 1pma s PRO 108 N -3.92 2.68 0.05 0.00 0.02 -1.26 -4.49 135.00 128.08 1pma s PRO 108 Ca 0.11 1.45 -0.18 0.00 0.02 0.00 0.00 61.00 62.40 1pma s PRO 108 Cb -0.05 -1.93 0.04 0.00 0.02 0.00 0.00 34.50 32.57 1pma s PRO 108 CO 0.06 -1.35 0.41 -1.01 -0.33 0.00 0.00 177.00 174.78 1pma s HIS 109 N -2.29 -0.26 -0.25 6.54 3.76 0.11 -4.94 115.29 117.96 1pma s HIS 109 Ca 0.68 0.18 -0.09 0.00 -0.15 0.00 0.00 55.06 55.68 1pma s HIS 109 Cb -0.22 0.22 0.11 0.00 1.11 0.00 0.00 32.58 33.80 1pma s HIS 109 CO 0.42 -0.59 0.54 0.54 -0.85 0.00 0.00 174.74 174.80 1pma s VAL 110 N -2.65 -0.73 0.04 -0.90 0.11 -1.26 -1.55 120.40 113.46 1pma s VAL 110 Ca -0.04 0.08 0.08 0.00 -2.93 0.00 0.00 61.98 59.17 1pma s VAL 110 Cb -0.00 -0.83 -0.03 0.00 -1.53 0.00 0.00 36.38 33.98 1pma s VAL 110 CO -0.04 0.03 -0.22 -0.36 -3.33 0.00 0.00 175.10 171.18 1pma s PHE 111 N 2.61 2.43 -0.24 1.54 0.40 -0.45 -2.62 117.98 121.65 1pma s PHE 111 Ca -0.05 -0.34 -0.07 0.00 -0.60 0.00 0.00 56.93 55.88 1pma s PHE 111 Cb -0.11 -1.43 -0.03 0.00 0.51 0.00 0.00 43.02 41.97 1pma s PHE 111 CO -0.16 0.19 0.05 0.45 0.70 0.00 0.00 175.22 176.44 1pma s SER 112 N -1.33 4.98 -0.11 1.36 0.15 -0.17 -1.48 113.70 117.11 1pma s SER 112 Ca 0.13 -0.23 0.03 0.00 0.70 0.00 0.00 55.95 56.57 1pma s SER 112 Cb -0.10 -1.89 -0.00 0.00 -1.71 0.00 0.00 66.02 62.32 1pma s SER 112 CO 0.03 -0.03 -0.21 -0.63 1.20 0.00 0.00 173.24 173.61 1pma s ILE 113 N 1.55 2.34 0.31 6.45 -1.09 -0.34 -1.87 121.20 128.56 1pma s ILE 113 Ca 0.06 -0.92 0.07 0.00 -2.23 0.00 0.00 60.65 57.63 1pma s ILE 113 Cb -0.15 -1.92 -0.02 0.00 -1.58 0.00 0.00 42.46 38.79 1pma s ILE 113 CO 0.02 0.55 0.38 1.51 -1.23 0.00 0.00 174.94 176.17 1pma s ASP 114 N 0.35 5.80 0.00 3.58 1.47 -0.60 -1.84 116.67 125.43 1pma s ASP 114 Ca -0.17 -0.23 0.00 0.00 1.18 0.00 0.00 52.55 53.33 1pma s ASP 114 Cb -0.17 -1.29 0.00 0.00 -0.34 0.00 0.00 42.92 41.12 1pma s ASP 114 CO 0.08 -0.31 0.66 0.00 0.68 0.00 0.00 175.17 176.28 1pma n ALA 115 N -1.48 1.12 -0.19 2.11 0.00 -1.19 -0.24 120.51 120.65 1pma n ALA 115 Ca -0.03 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.47 1pma n ALA 115 Cb 0.58 -0.88 0.16 0.00 0.00 0.00 0.00 19.45 19.32 1pma n ALA 115 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1pma n ALA 116 N -1.16 2.19 -0.99 0.00 0.00 -1.26 -4.57 120.51 114.72 1pma n ALA 116 Ca 0.00 -1.15 0.00 0.00 0.00 0.00 0.00 53.44 52.29 1pma n ALA 116 Cb 0.03 -0.46 0.00 0.00 0.00 0.00 0.00 19.45 19.01 1pma n ALA 116 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1pma n GLY 117 N 0.58 0.42 3.71 0.00 0.00 0.67 -4.00 105.19 106.57 1pma n GLY 117 Ca 0.12 -0.76 -0.42 0.00 0.00 0.00 0.00 46.02 44.96 1pma n GLY 117 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1pma s GLY 118 N -2.69 2.86 -0.06 -0.02 0.00 -1.24 -4.75 107.32 101.43 1pma s GLY 118 Ca 0.00 0.58 0.02 0.00 0.00 0.00 0.00 44.72 45.31 1pma s GLY 118 CO 0.00 1.71 -0.09 -0.45 0.00 0.00 0.00 173.10 174.27 1pma s SER 119 N 0.94 1.40 -0.09 1.64 0.15 -1.26 -1.56 113.70 114.92 1pma s SER 119 Ca 0.52 -0.22 -0.08 0.00 0.70 0.00 0.00 55.95 56.87 1pma s SER 119 Cb -0.22 -0.66 0.02 0.00 -1.71 0.00 0.00 66.02 63.45 1pma s SER 119 CO 0.28 -0.00 0.23 0.54 1.20 0.00 0.00 173.24 175.49 1pma s VAL 120 N 0.77 0.00 -0.05 4.45 0.11 -0.78 -4.99 120.40 119.91 1pma s VAL 120 Ca -0.13 -0.01 -0.06 0.00 -2.93 0.00 0.00 61.98 58.85 1pma s VAL 120 Cb -0.15 -0.33 -0.04 0.00 -1.53 0.00 0.00 36.38 34.33 1pma s VAL 120 CO 0.02 -0.01 0.20 -0.70 -3.33 0.00 0.00 175.10 171.29 1pma s GLU 121 N 0.10 3.50 0.32 1.54 2.12 -1.26 -1.00 118.70 124.02 1pma s GLU 121 Ca -0.00 -0.15 0.06 0.00 0.36 0.00 0.00 54.97 55.24 1pma s GLU 121 Cb -0.02 -3.13 -0.03 0.00 0.26 0.00 0.00 34.13 31.21 1pma s GLU 121 CO 0.00 0.71 0.25 0.34 -0.54 0.00 0.00 175.26 176.02 1pma s ASP 122 N -1.50 1.62 0.00 -1.70 2.15 -1.08 -5.01 116.67 111.16 1pma s ASP 122 Ca 0.23 -1.71 0.26 0.00 0.43 0.00 0.00 52.55 51.75 1pma s ASP 122 Cb -0.13 0.53 0.66 0.00 -0.30 0.00 0.00 42.92 43.69 1pma s ASP 122 CO 0.12 -1.03 1.52 2.30 -0.17 0.00 0.00 175.17 177.92 1pma n ILE 123 N -0.61 0.00 -3.63 4.11 -0.00 -1.26 -4.36 119.36 113.60 1pma n ILE 123 Ca 0.06 -0.02 -0.03 0.00 -0.00 0.00 0.00 62.75 62.75 1pma n ILE 123 Cb 0.63 0.17 -0.04 0.00 -0.00 0.00 0.00 39.64 40.40 1pma n ILE 123 CO 0.00 0.00 0.00 -0.72 -0.00 0.00 0.00 176.55 175.83 1pma s TYR 124 N -2.90 -0.08 -0.17 4.28 -0.85 -1.26 -0.63 117.35 115.73 1pma s TYR 124 Ca 0.14 0.13 -0.28 0.00 -0.52 0.00 0.00 57.07 56.54 1pma s TYR 124 Cb 0.18 0.49 0.09 0.00 0.38 0.00 0.00 41.96 43.10 1pma s TYR 124 CO 0.64 -0.08 0.81 0.00 -1.52 0.00 0.00 175.55 175.41 1pma s ALA 125 N -1.19 -1.84 0.25 9.51 0.00 -0.33 -4.99 121.76 123.17 1pma s ALA 125 Ca 0.08 1.66 0.10 0.00 0.00 0.00 0.00 51.96 53.80 1pma s ALA 125 Cb -0.01 -0.71 -0.04 0.00 0.00 0.00 0.00 23.12 22.35 1pma s ALA 125 CO -0.06 -0.33 -0.08 0.45 0.00 0.00 0.00 175.76 175.74 1pma s SER 126 N -0.50 4.18 0.02 0.00 0.15 -1.26 -1.34 113.70 114.95 1pma s SER 126 Ca -0.04 -0.75 -0.01 0.00 0.70 0.00 0.00 55.95 55.86 1pma s SER 126 Cb -0.02 -0.65 -0.02 0.00 -1.71 0.00 0.00 66.02 63.62 1pma s SER 126 CO 0.03 0.04 -0.01 0.28 1.20 0.00 0.00 173.24 174.77 1pma s THR 127 N -2.24 0.10 0.00 6.45 -1.32 -0.32 -4.95 115.64 113.37 1pma s THR 127 Ca 0.29 -0.83 0.00 0.00 -1.21 0.00 0.00 61.69 59.94 1pma s THR 127 Cb -0.06 -0.26 0.00 0.00 -1.51 0.00 0.00 72.50 70.66 1pma s THR 127 CO 0.17 -0.46 0.00 0.61 -2.21 0.00 0.00 174.62 172.73 1pma n GLY 128 N 1.67 1.28 0.35 6.08 0.00 -1.26 -1.71 105.19 111.60 1pma n GLY 128 Ca -0.23 -2.05 0.05 0.00 0.00 0.00 0.00 46.02 43.79 1pma n GLY 128 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1pma n SER 129 N 0.00 -0.38 -0.82 1.61 2.88 0.19 -0.84 113.62 116.26 1pma n SER 129 Ca 0.00 1.69 0.07 0.00 -1.33 0.00 0.00 58.87 59.30 1pma n SER 129 Cb 0.00 -0.50 0.21 0.00 -0.75 0.00 0.00 64.21 63.17 1pma n SER 129 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1pma n GLY 130 N -1.60 1.08 0.34 0.46 0.00 -1.21 -4.58 105.19 99.68 1pma n GLY 130 Ca 0.15 -0.49 0.12 0.00 0.00 0.00 0.00 46.02 45.80 1pma n GLY 130 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1pma h SER 131 N 2.64 -0.56 -0.18 1.61 0.02 -1.21 -2.01 113.55 113.86 1pma h SER 131 Ca 0.00 0.27 0.05 0.00 -0.84 0.00 0.00 61.79 61.28 1pma h SER 131 Cb 0.60 0.50 -0.07 0.00 0.14 0.00 0.00 62.40 63.58 1pma h SER 131 CO 0.00 -0.33 -0.27 -0.65 -1.14 0.00 0.00 176.83 174.44 1pma h PRO 132 N 0.02 -0.31 -0.17 3.45 0.11 -1.83 0.15 132.00 133.42 1pma h PRO 132 Ca 0.55 0.02 0.04 0.00 0.11 0.00 0.00 66.00 66.73 1pma h PRO 132 Cb 1.06 0.07 -0.05 0.00 0.11 0.00 0.00 31.00 32.19 1pma h PRO 132 CO -0.91 -0.20 -0.13 0.74 -0.21 0.00 0.00 178.00 177.29 1pma h PHE 133 N -0.32 -0.31 -0.75 0.65 0.04 -1.73 -0.35 116.94 114.16 1pma h PHE 133 Ca 0.11 0.02 -0.05 0.00 2.80 0.00 0.00 57.97 60.85 1pma h PHE 133 Cb 0.49 0.17 -0.03 0.00 2.20 0.00 0.00 35.95 38.78 1pma h PHE 133 CO -0.39 -0.19 0.26 -0.24 -0.60 0.00 0.00 178.31 177.14 1pma h VAL 134 N -0.13 1.26 -0.52 -0.55 3.04 -1.43 0.02 116.25 117.94 1pma h VAL 134 Ca 0.10 -0.88 0.13 0.00 -1.01 0.00 0.00 66.70 65.04 1pma h VAL 134 Cb 0.29 0.42 -0.03 0.00 -2.01 0.00 0.00 31.29 29.96 1pma h VAL 134 CO -0.25 0.35 0.37 1.88 -1.01 0.00 0.00 177.57 178.90 1pma h TYR 135 N 1.11 0.15 0.61 3.17 0.05 -0.01 0.67 116.97 122.71 1pma h TYR 135 Ca 0.24 0.00 -0.03 0.00 0.05 0.00 0.00 58.73 59.00 1pma h TYR 135 Cb 0.28 -0.05 0.01 0.00 1.01 0.00 0.00 36.73 37.98 1pma h TYR 135 CO 0.02 0.07 -0.29 0.78 -1.05 0.00 0.00 178.16 177.69 1pma h GLY 136 N 0.14 -0.85 1.06 3.88 0.00 0.71 -1.05 103.07 106.95 1pma h GLY 136 Ca 0.25 0.32 -0.01 0.00 0.00 0.00 0.00 47.33 47.88 1pma h GLY 136 CO -0.03 -0.31 0.51 -0.39 0.00 0.00 0.00 176.54 176.31 1pma h VAL 137 N -0.98 1.25 0.25 4.60 -1.51 -0.88 -1.45 116.25 117.53 1pma h VAL 137 Ca -0.08 -0.61 -0.01 0.00 -1.23 0.00 0.00 66.70 64.77 1pma h VAL 137 Cb 0.63 0.02 -0.00 0.00 -2.13 0.00 0.00 31.29 29.80 1pma h VAL 137 CO 0.14 0.28 -0.16 -0.07 -1.23 0.00 0.00 177.57 176.53 1pma h LEU 138 N 1.25 -0.40 -1.38 4.19 4.07 -0.93 0.31 115.31 122.43 1pma h LEU 138 Ca 0.32 0.03 0.18 0.00 0.08 0.00 0.00 57.88 58.49 1pma h LEU 138 Cb 0.00 0.12 -0.07 0.00 1.08 0.00 0.00 40.66 41.79 1pma h LEU 138 CO -0.05 -0.25 0.59 -0.08 -1.08 0.00 0.00 178.44 177.56 1pma h GLU 139 N -0.40 0.52 -0.01 1.13 4.57 -0.83 0.33 114.58 119.89 1pma h GLU 139 Ca -0.02 -0.03 -0.20 0.00 -1.18 0.00 0.00 59.36 57.93 1pma h GLU 139 Cb 0.33 -0.12 0.02 0.00 -0.16 0.00 0.00 28.75 28.82 1pma h GLU 139 CO 0.02 0.34 -0.77 1.03 -1.18 0.00 0.00 179.01 178.46 1pma h SER 140 N 0.54 0.68 0.00 1.04 0.87 -0.13 -3.40 113.55 113.14 1pma h SER 140 Ca 0.48 -0.75 0.00 0.00 -1.23 0.00 0.00 61.79 60.29 1pma h SER 140 Cb 1.00 -0.21 0.00 0.00 -0.44 0.00 0.00 62.40 62.75 1pma h SER 140 CO -0.21 1.34 0.00 0.00 -0.53 0.00 0.00 176.83 177.43 1pma n GLN 141 N -4.08 -0.02 -2.55 2.24 6.02 0.97 -5.05 117.38 114.91 1pma n GLN 141 Ca -0.10 -0.66 -0.36 0.00 -0.01 0.00 0.00 57.00 55.86 1pma n GLN 141 Cb 0.75 -0.93 -0.04 0.00 1.02 0.00 0.00 30.24 31.03 1pma n GLN 141 CO 0.00 0.00 0.00 -0.47 -1.01 0.00 0.00 177.06 175.58 1pma s TYR 142 N -0.21 3.28 -0.18 1.08 5.04 0.11 -5.02 117.35 121.44 1pma s TYR 142 Ca 0.00 1.65 -0.07 0.00 -2.44 0.00 0.00 57.07 56.21 1pma s TYR 142 Cb 0.00 -3.12 0.08 0.00 0.35 0.00 0.00 41.96 39.27 1pma s TYR 142 CO 0.00 -0.60 0.39 0.45 -1.34 0.00 0.00 175.55 174.45 1pma s SER 143 N -1.57 -0.18 0.00 4.32 0.15 -1.26 -4.98 113.70 110.18 1pma s SER 143 Ca 0.57 0.90 0.00 0.00 0.70 0.00 0.00 55.95 58.12 1pma s SER 143 Cb -0.22 1.13 0.00 0.00 -1.71 0.00 0.00 66.02 65.22 1pma s SER 143 CO 0.27 -0.23 0.60 -1.84 1.20 0.00 0.00 173.24 173.24 1pma n GLU 144 N 5.20 0.00 -0.78 5.44 -0.00 -1.26 -1.08 120.64 128.16 1pma n GLU 144 Ca -0.10 0.12 0.08 0.00 -0.00 0.00 0.00 57.16 57.25 1pma n GLU 144 Cb 0.50 -1.51 0.39 0.00 -0.00 0.00 0.00 31.44 30.83 1pma n GLU 144 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 1pma n LYS 145 N -1.10 4.39 -2.37 3.44 5.02 -1.26 -4.35 118.16 121.93 1pma n LYS 145 Ca 0.00 -3.06 -0.30 0.00 -2.02 0.00 0.00 58.31 52.94 1pma n LYS 145 Cb 0.01 -2.11 -0.01 0.00 -0.02 0.00 0.00 35.03 32.90 1pma n LYS 145 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 1pma s MET 146 N -2.35 3.67 0.25 1.97 -1.94 -0.24 -5.08 119.30 115.58 1pma s MET 146 Ca 0.54 0.56 -0.03 0.00 -1.71 0.00 0.00 55.69 55.05 1pma s MET 146 Cb 0.38 -2.24 -0.05 0.00 2.01 0.00 0.00 34.83 34.94 1pma s MET 146 CO 0.20 -0.31 0.48 0.95 -0.01 0.00 0.00 175.02 176.33 1pma s THR 147 N -2.81 5.11 0.62 2.05 -4.23 -1.26 -4.71 115.64 110.42 1pma s THR 147 Ca 0.53 -0.16 0.29 0.00 -1.18 0.00 0.00 61.69 61.16 1pma s THR 147 Cb -0.10 -3.74 0.34 0.00 1.34 0.00 0.00 72.50 70.33 1pma s THR 147 CO 0.43 -0.26 1.89 1.62 -0.54 0.00 0.00 174.62 177.76 1pma h VAL 148 N 1.41 0.21 0.04 2.29 3.04 -1.98 0.31 116.25 121.58 1pma h VAL 148 Ca -0.48 0.00 -0.11 0.00 -1.01 0.00 0.00 66.70 65.10 1pma h VAL 148 Cb 1.19 0.63 0.01 0.00 -2.01 0.00 0.00 31.29 31.11 1pma h VAL 148 CO 0.67 0.00 -0.45 -0.78 -1.01 0.00 0.00 177.57 176.00 1pma h ASP 149 N 0.00 0.32 -0.84 3.17 3.58 -2.00 -2.38 116.42 118.28 1pma h ASP 149 Ca 0.12 -0.86 0.09 0.00 0.42 0.00 0.00 57.03 56.79 1pma h ASP 149 Cb 0.96 -0.10 -0.07 0.00 1.72 0.00 0.00 39.33 41.84 1pma h ASP 149 CO -0.00 1.15 0.49 -0.33 -2.88 0.00 0.00 179.24 177.67 1pma h GLU 150 N -0.46 0.81 0.49 0.28 5.08 -1.38 -2.48 114.58 116.91 1pma h GLU 150 Ca -0.07 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.23 1pma h GLU 150 Cb 1.26 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 30.31 1pma h GLU 150 CO 0.09 0.53 -0.50 0.78 -1.00 0.00 0.00 179.01 178.91 1pma h GLY 151 N 0.83 -1.26 -0.19 -3.84 0.00 -1.16 -0.12 103.07 97.33 1pma h GLY 151 Ca 0.40 0.59 0.27 0.00 0.00 0.00 0.00 47.33 48.58 1pma h GLY 151 CO -0.24 -0.37 0.65 -0.24 0.00 0.00 0.00 176.54 176.34 1pma h VAL 152 N -0.98 0.51 0.18 4.60 3.04 -1.05 0.14 116.25 122.68 1pma h VAL 152 Ca -0.06 -0.15 -0.01 0.00 -1.01 0.00 0.00 66.70 65.47 1pma h VAL 152 Cb 0.85 0.03 0.00 0.00 -2.01 0.00 0.00 31.29 30.17 1pma h VAL 152 CO -0.06 0.08 -0.09 0.44 -1.01 0.00 0.00 177.57 176.93 1pma h ASP 153 N 0.44 -0.21 -0.72 3.17 5.19 -1.00 -2.08 116.42 121.20 1pma h ASP 153 Ca 0.62 -0.31 0.14 0.00 -0.62 0.00 0.00 57.03 56.87 1pma h ASP 153 Cb 1.47 0.05 -0.14 0.00 0.18 0.00 0.00 39.33 40.90 1pma h ASP 153 CO -0.36 0.24 -0.18 0.25 -3.12 0.00 0.00 179.24 176.07 1pma h LEU 154 N -0.72 -0.67 -0.28 1.55 5.85 0.10 0.37 115.31 121.51 1pma h LEU 154 Ca -0.03 0.22 0.02 0.00 0.84 0.00 0.00 57.88 58.93 1pma h LEU 154 Cb 0.50 0.45 -0.03 0.00 0.37 0.00 0.00 40.66 41.95 1pma h LEU 154 CO 0.04 -0.24 0.12 0.58 -0.34 0.00 0.00 178.44 178.60 1pma h VAL 155 N 0.00 0.96 -0.60 1.05 2.07 -0.86 -0.03 116.25 118.85 1pma h VAL 155 Ca 0.35 -0.09 0.04 0.00 0.82 0.00 0.00 66.70 67.82 1pma h VAL 155 Cb 0.53 0.68 -0.04 0.00 -1.52 0.00 0.00 31.29 30.93 1pma h VAL 155 CO -0.74 0.05 0.35 0.40 0.02 0.00 0.00 177.57 177.64 1pma h ILE 156 N 0.26 1.02 0.36 4.57 2.04 0.35 -0.97 117.51 125.13 1pma h ILE 156 Ca 0.12 -0.23 -0.02 0.00 1.00 0.00 0.00 64.86 65.73 1pma h ILE 156 Cb 0.06 0.29 0.00 0.00 -0.74 0.00 0.00 36.82 36.43 1pma h ILE 156 CO -0.10 0.12 -0.17 0.03 0.00 0.00 0.00 178.15 178.03 1pma h ARG 157 N 0.67 -0.46 -0.19 2.37 3.08 -0.49 -0.52 114.38 118.84 1pma h ARG 157 Ca 0.25 0.03 0.03 0.00 0.07 0.00 0.00 59.98 60.37 1pma h ARG 157 Cb 0.09 0.11 -0.06 0.00 0.08 0.00 0.00 29.97 30.18 1pma h ARG 157 CO -0.13 -0.30 -0.47 0.00 -1.07 0.00 0.00 179.97 177.99 1pma h ALA 158 N 0.15 -0.80 -0.83 0.04 0.00 -0.55 1.00 119.26 118.26 1pma h ALA 158 Ca -0.05 -0.04 0.07 0.00 0.00 0.00 0.00 54.91 54.89 1pma h ALA 158 Cb 0.38 0.99 -0.05 0.00 0.00 0.00 0.00 17.79 19.11 1pma h ALA 158 CO 0.08 -0.99 0.54 0.82 0.00 0.00 0.00 179.25 179.71 1pma h ILE 159 N -0.45 1.04 -0.64 0.00 2.04 -1.16 -1.48 117.51 116.86 1pma h ILE 159 Ca 0.04 -0.31 0.01 0.00 1.00 0.00 0.00 64.86 65.60 1pma h ILE 159 Cb 0.56 0.05 -0.03 0.00 -0.74 0.00 0.00 36.82 36.66 1pma h ILE 159 CO -0.42 0.17 0.42 0.28 0.00 0.00 0.00 178.15 178.59 1pma h SER 160 N 0.91 0.71 0.26 1.72 0.02 0.41 0.05 113.55 117.63 1pma h SER 160 Ca 0.36 -0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 61.28 1pma h SER 160 Cb 0.24 -0.17 0.00 0.00 0.14 0.00 0.00 62.40 62.61 1pma h SER 160 CO -0.13 0.51 -0.13 0.00 -1.14 0.00 0.00 176.83 175.95 1pma h ALA 161 N 1.24 -0.35 -0.76 3.77 0.00 0.14 -2.38 119.26 120.91 1pma h ALA 161 Ca 0.24 -0.08 0.15 0.00 0.00 0.00 0.00 54.91 55.22 1pma h ALA 161 Cb -0.07 0.14 -0.10 0.00 0.00 0.00 0.00 17.79 17.75 1pma h ALA 161 CO -0.06 -0.70 0.30 0.00 0.00 0.00 0.00 179.25 178.80 1pma h ALA 162 N 0.39 1.08 -0.12 0.00 0.00 -0.95 0.41 119.26 120.08 1pma h ALA 162 Ca -0.04 0.12 0.03 0.00 0.00 0.00 0.00 54.91 55.03 1pma h ALA 162 Cb 0.27 0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.15 1pma h ALA 162 CO 0.06 -0.22 0.10 0.87 0.00 0.00 0.00 179.25 180.06 1pma h LYS 163 N 0.44 0.00 -0.04 0.00 1.57 -0.49 0.16 116.57 118.21 1pma h LYS 163 Ca 0.42 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 59.16 1pma h LYS 163 Cb 0.65 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.96 1pma h LYS 163 CO -0.41 0.00 -0.15 1.96 -0.57 0.00 0.00 179.45 180.27 1pma h GLN 164 N 0.00 0.17 -0.14 3.15 1.08 0.17 -3.33 115.11 116.20 1pma h GLN 164 Ca 0.06 -0.13 0.00 0.00 -1.45 0.00 0.00 58.65 57.12 1pma h GLN 164 Cb 0.25 0.03 0.00 0.00 -0.05 0.00 0.00 27.48 27.71 1pma h GLN 164 CO -0.00 0.78 0.00 0.54 -0.95 0.00 0.00 178.83 179.20 1pma n ARG 165 N -4.61 1.77 -3.64 1.46 3.00 -0.88 -4.80 116.66 108.96 1pma n ARG 165 Ca -0.09 -1.15 -0.28 0.00 -0.01 0.00 0.00 57.85 56.32 1pma n ARG 165 Cb 0.41 -1.42 -0.16 0.00 0.00 0.00 0.00 32.46 31.29 1pma n ARG 165 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.63 177.97 1pma s ASP 166 N -1.67 3.28 0.30 0.55 2.15 -0.01 -4.99 116.67 116.27 1pma s ASP 166 Ca 0.34 -1.13 0.21 0.00 0.43 0.00 0.00 52.55 52.40 1pma s ASP 166 Cb 0.19 -0.50 1.09 0.00 -0.30 0.00 0.00 42.92 43.40 1pma s ASP 166 CO 0.28 -0.39 1.64 -1.54 -0.17 0.00 0.00 175.17 175.00 1pma n SER 167 N 5.12 0.55 0.06 -0.34 3.41 -1.26 -0.68 113.62 120.47 1pma n SER 167 Ca -0.06 0.74 0.13 0.00 -0.26 0.00 0.00 58.87 59.41 1pma n SER 167 Cb 0.45 -0.82 0.36 0.00 -0.26 0.00 0.00 64.21 63.94 1pma n SER 167 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1pma n ALA 168 N -1.76 2.64 -2.70 7.33 0.00 -1.26 -4.84 120.51 119.91 1pma n ALA 168 Ca -0.01 -0.15 -0.31 0.00 0.00 0.00 0.00 53.44 52.98 1pma n ALA 168 Cb 0.06 -1.34 -0.08 0.00 0.00 0.00 0.00 19.45 18.10 1pma n ALA 168 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1pma s SER 169 N -3.95 5.16 0.00 0.00 0.01 0.14 -0.68 113.70 114.38 1pma s SER 169 Ca 0.10 -0.08 0.00 0.00 1.31 0.00 0.00 55.95 57.28 1pma s SER 169 Cb 0.15 -1.30 0.00 0.00 0.21 0.00 0.00 66.02 65.07 1pma s SER 169 CO 0.63 0.21 0.00 0.61 0.41 0.00 0.00 173.24 175.10 1pma n GLY 170 N 0.83 -1.28 0.12 3.44 0.00 -1.26 -4.83 105.19 102.20 1pma n GLY 170 Ca -0.12 -0.94 0.02 0.00 0.00 0.00 0.00 46.02 44.98 1pma n GLY 170 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pma n GLY 171 N -0.05 -1.50 3.68 -0.02 0.00 -1.26 -1.19 105.19 104.84 1pma n GLY 171 Ca 0.00 -1.50 -0.42 0.00 0.00 0.00 0.00 46.02 44.10 1pma n GLY 171 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1pma n MET 172 N -1.63 2.85 -2.86 1.61 0.00 -1.26 -4.48 117.12 111.36 1pma n MET 172 Ca -0.00 1.04 -0.40 0.00 -0.00 0.00 0.00 57.70 58.34 1pma n MET 172 Cb 0.05 -2.96 -0.06 0.00 0.00 0.00 0.00 33.22 30.25 1pma n MET 172 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 175.97 174.47 1pma s ILE 173 N 3.44 4.29 0.00 1.12 -1.16 -1.26 -3.81 121.20 123.82 1pma s ILE 173 Ca 0.85 1.90 0.02 0.00 -0.51 0.00 0.00 60.65 62.91 1pma s ILE 173 Cb -0.46 -4.24 -0.01 0.00 0.61 0.00 0.00 42.46 38.37 1pma s ILE 173 CO 0.39 0.48 -0.07 1.51 -2.81 0.00 0.00 174.94 174.44 1pma s ASP 174 N -0.93 0.82 0.15 4.50 1.47 -0.47 -4.90 116.67 117.32 1pma s ASP 174 Ca 0.39 -0.20 0.09 0.00 1.18 0.00 0.00 52.55 54.02 1pma s ASP 174 Cb -0.24 -0.07 -0.04 0.00 -0.34 0.00 0.00 42.92 42.23 1pma s ASP 174 CO 0.29 0.04 -0.20 0.54 0.68 0.00 0.00 175.17 176.52 1pma s VAL 175 N -0.36 1.87 -0.03 2.11 0.11 -1.26 -2.13 120.40 120.71 1pma s VAL 175 Ca 0.01 -1.85 0.01 0.00 -2.93 0.00 0.00 61.98 57.22 1pma s VAL 175 Cb -0.04 -1.82 0.02 0.00 -1.53 0.00 0.00 36.38 33.01 1pma s VAL 175 CO -0.00 -0.23 -0.03 0.00 -3.33 0.00 0.00 175.10 171.51 1pma s ALA 176 N -1.80 0.46 -0.05 1.54 0.00 0.52 -1.42 121.76 121.01 1pma s ALA 176 Ca 0.14 0.00 0.05 0.00 0.00 0.00 0.00 51.96 52.16 1pma s ALA 176 Cb -0.07 -0.30 -0.02 0.00 0.00 0.00 0.00 23.12 22.73 1pma s ALA 176 CO 0.06 -0.00 -0.20 0.54 0.00 0.00 0.00 175.76 176.16 1pma s VAL 177 N 0.70 2.52 -0.10 0.00 0.11 0.14 -0.36 120.40 123.42 1pma s VAL 177 Ca -0.08 -0.92 0.02 0.00 -2.93 0.00 0.00 61.98 58.07 1pma s VAL 177 Cb -0.11 -1.95 0.01 0.00 -1.53 0.00 0.00 36.38 32.80 1pma s VAL 177 CO -0.01 0.58 -0.16 -0.51 -3.33 0.00 0.00 175.10 171.67 1pma s ILE 178 N -0.49 1.49 0.10 7.04 2.07 0.45 -1.04 121.20 130.82 1pma s ILE 178 Ca 0.06 -0.66 0.03 0.00 -1.41 0.00 0.00 60.65 58.67 1pma s ILE 178 Cb -0.11 -1.35 -0.04 0.00 0.13 0.00 0.00 42.46 41.09 1pma s ILE 178 CO 0.01 0.44 -0.08 0.28 -1.91 0.00 0.00 174.94 173.68 1pma s THR 179 N 0.80 0.80 0.27 4.00 -1.32 -0.45 -1.58 115.64 118.15 1pma s THR 179 Ca -0.11 -1.83 0.03 0.00 -1.21 0.00 0.00 61.69 58.57 1pma s THR 179 Cb -0.16 -1.56 0.03 0.00 -1.51 0.00 0.00 72.50 69.30 1pma s THR 179 CO 0.02 -0.76 1.66 -0.09 -2.21 0.00 0.00 174.62 173.24 1pma h ARG 180 N 3.17 0.38 0.55 7.08 9.65 -1.86 0.77 114.38 134.13 1pma h ARG 180 Ca -0.36 -0.18 -0.03 0.00 -1.10 0.00 0.00 59.98 58.31 1pma h ARG 180 Cb 1.18 -0.00 0.01 0.00 -1.39 0.00 0.00 29.97 29.76 1pma h ARG 180 CO 0.60 0.72 -0.26 -0.22 2.80 0.00 0.00 179.97 183.61 1pma h LYS 181 N 0.32 -0.71 0.00 0.20 1.63 -1.97 -3.35 116.57 112.70 1pma h LYS 181 Ca 0.03 0.05 0.00 0.00 -0.85 0.00 0.00 60.65 59.88 1pma h LYS 181 Cb 0.83 0.16 0.00 0.00 -0.60 0.00 0.00 32.23 32.62 1pma h LYS 181 CO 0.07 -0.41 -1.52 -0.25 -3.45 0.00 0.00 179.45 173.89 1pma n ASP 182 N -5.35 0.58 0.00 4.20 8.00 -1.23 -5.10 116.55 117.64 1pma n ASP 182 Ca -0.12 -0.41 0.00 0.00 0.71 0.00 0.00 54.79 54.97 1pma n ASP 182 Cb 0.33 1.54 0.00 0.00 -0.02 0.00 0.00 41.12 42.97 1pma n ASP 182 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1pma n GLY 183 N 1.39 -1.37 3.64 0.44 0.00 0.27 -4.77 105.19 104.79 1pma n GLY 183 Ca -0.01 -1.55 -0.43 0.00 0.00 0.00 0.00 46.02 44.04 1pma n GLY 183 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1pma s TYR 184 N 0.00 3.21 -0.08 1.61 6.14 -1.19 -1.34 117.35 125.70 1pma s TYR 184 Ca 0.00 1.15 0.02 0.00 0.64 0.00 0.00 57.07 58.88 1pma s TYR 184 Cb 0.00 -3.45 0.01 0.00 0.42 0.00 0.00 41.96 38.94 1pma s TYR 184 CO 0.00 -0.64 -0.12 0.54 0.64 0.00 0.00 175.55 175.97 1pma s VAL 185 N 3.34 1.19 -0.24 3.14 0.11 -0.20 -5.00 120.40 122.75 1pma s VAL 185 Ca 0.41 -0.49 -0.12 0.00 -2.93 0.00 0.00 61.98 58.85 1pma s VAL 185 Cb -0.13 -1.10 -0.05 0.00 -1.53 0.00 0.00 36.38 33.57 1pma s VAL 185 CO 0.12 0.37 0.22 -1.58 -3.33 0.00 0.00 175.10 170.91 1pma s GLN 186 N 0.81 4.08 0.57 1.54 0.74 -1.26 -0.68 119.66 125.46 1pma s GLN 186 Ca -0.12 -0.16 -0.21 0.00 0.05 0.00 0.00 55.36 54.93 1pma s GLN 186 Cb -0.15 -3.56 -0.04 0.00 1.10 0.00 0.00 33.01 30.36 1pma s GLN 186 CO 0.02 -0.00 1.31 -0.51 -0.55 0.00 0.00 175.29 175.56 1pma s LEU 187 N 1.23 3.78 0.14 3.68 1.02 -0.51 -4.96 118.68 123.06 1pma s LEU 187 Ca 0.10 2.66 -0.30 0.00 0.02 0.00 0.00 54.13 56.61 1pma s LEU 187 Cb -0.14 -4.39 -0.07 0.00 0.02 0.00 0.00 46.19 41.61 1pma s LEU 187 CO 0.06 -1.63 1.24 -2.84 0.02 0.00 0.00 176.35 173.20 1pma s PRO 188 N -3.05 4.43 0.15 1.29 0.02 -1.26 -4.78 135.00 131.80 1pma s PRO 188 Ca 0.74 1.89 -0.19 0.00 0.02 0.00 0.00 61.00 63.46 1pma s PRO 188 Cb -0.38 -3.27 0.05 0.00 0.02 0.00 0.00 34.50 30.92 1pma s PRO 188 CO 0.43 -0.22 1.18 -2.37 -0.33 0.00 0.00 177.00 175.70 1pma n THR 189 N 3.21 -0.47 -0.26 0.99 5.66 -1.26 -0.19 114.28 121.96 1pma n THR 189 Ca 0.07 1.83 0.02 0.00 -3.05 0.00 0.00 64.05 62.92 1pma n THR 189 Cb 0.45 -2.33 0.15 0.00 -1.55 0.00 0.00 70.33 67.05 1pma n THR 189 CO 0.00 0.00 0.00 -2.24 -3.05 0.00 0.00 175.07 169.78 1pma h ASP 190 N 0.00 0.51 -0.83 1.09 3.04 -1.99 0.16 116.42 118.40 1pma h ASP 190 Ca 0.19 0.06 0.01 0.00 -3.24 0.00 0.00 57.03 54.05 1pma h ASP 190 Cb 0.38 -0.03 -0.04 0.00 -1.04 0.00 0.00 39.33 38.60 1pma h ASP 190 CO -0.74 0.29 0.55 -0.61 -2.04 0.00 0.00 179.24 176.69 1pma h GLN 191 N 0.64 1.09 0.09 4.15 4.15 -0.96 0.10 115.11 124.38 1pma h GLN 191 Ca 0.36 -0.07 -0.00 0.00 0.77 0.00 0.00 58.65 59.71 1pma h GLN 191 Cb 0.38 -0.25 0.00 0.00 0.21 0.00 0.00 27.48 27.82 1pma h GLN 191 CO -0.27 0.72 -0.04 0.82 -1.93 0.00 0.00 178.83 178.13 1pma h ILE 192 N 1.13 1.13 0.00 2.39 2.04 -0.63 -2.49 117.51 121.08 1pma h ILE 192 Ca 0.31 -0.88 -0.02 0.00 1.00 0.00 0.00 64.86 65.27 1pma h ILE 192 Cb -0.12 1.69 -0.00 0.00 -0.74 0.00 0.00 36.82 37.64 1pma h ILE 192 CO -0.07 0.21 -0.09 1.05 0.00 0.00 0.00 178.15 179.25 1pma h GLU 193 N -0.53 0.00 0.28 2.37 4.11 -0.86 -2.12 114.58 117.82 1pma h GLU 193 Ca -0.01 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.40 1pma h GLU 193 Cb 0.44 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.69 1pma h GLU 193 CO 0.02 0.09 -0.13 1.03 0.07 0.00 0.00 179.01 180.09 1pma h SER 194 N 0.00 -0.32 -0.87 3.06 0.87 -0.66 -2.20 113.55 113.44 1pma h SER 194 Ca -0.00 -0.16 0.05 0.00 -1.23 0.00 0.00 61.79 60.45 1pma h SER 194 Cb 0.25 0.08 -0.05 0.00 -0.44 0.00 0.00 62.40 62.24 1pma h SER 194 CO 0.01 -0.00 0.57 0.03 -0.53 0.00 0.00 176.83 176.91 1pma h ARG 195 N -0.65 0.99 0.18 2.24 3.08 -1.00 -1.09 114.38 118.12 1pma h ARG 195 Ca -0.04 -0.06 0.01 0.00 0.07 0.00 0.00 59.98 59.97 1pma h ARG 195 Cb 0.46 -0.22 -0.04 0.00 0.08 0.00 0.00 29.97 30.25 1pma h ARG 195 CO 0.06 0.65 -0.39 0.82 -1.07 0.00 0.00 179.97 180.04 1pma h ILE 196 N 1.02 0.20 0.02 2.04 2.04 -1.24 0.10 117.51 121.69 1pma h ILE 196 Ca 0.36 0.00 0.03 0.00 1.00 0.00 0.00 64.86 66.25 1pma h ILE 196 Cb 0.14 0.20 -0.05 0.00 -0.74 0.00 0.00 36.82 36.37 1pma h ILE 196 CO -0.12 0.00 -0.28 -0.09 0.00 0.00 0.00 178.15 177.66 1pma h ARG 197 N -0.66 -0.42 -0.80 2.37 2.43 -0.90 -0.60 114.38 115.78 1pma h ARG 197 Ca 0.01 0.03 0.13 0.00 -0.81 0.00 0.00 59.98 59.35 1pma h ARG 197 Cb 0.67 0.10 -0.09 0.00 -0.42 0.00 0.00 29.97 30.22 1pma h ARG 197 CO -0.20 -0.28 0.39 -0.22 -1.51 0.00 0.00 179.97 178.16 1pma h LYS 198 N -0.44 0.57 0.00 0.20 3.64 -0.95 0.22 116.57 119.81 1pma h LYS 198 Ca 0.06 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.40 1pma h LYS 198 Cb 0.51 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.21 1pma h LYS 198 CO -0.23 0.37 0.00 -0.07 -2.27 0.00 0.00 179.45 177.26 1pma h LEU 199 N 0.58 0.00 0.00 5.20 3.38 -0.26 -3.46 115.31 120.75 1pma h LEU 199 Ca 0.43 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.40 1pma h LEU 199 Cb 0.59 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.34 1pma h LEU 199 CO -0.35 0.00 0.00 0.61 0.09 0.00 0.00 178.44 178.79 1pma n GLY 200 N 0.21 0.45 0.00 0.83 0.00 0.77 -5.04 105.19 102.40 1pma n GLY 200 Ca 0.02 -0.86 0.00 0.00 0.00 0.00 0.00 46.02 45.18 1pma n GLY 200 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1pma n LEU 201 N 0.00 0.00 -3.81 0.99 4.32 -0.33 -5.00 117.00 113.17 1pma n LEU 201 Ca 0.00 0.00 -0.12 0.00 -0.02 0.00 0.00 56.01 55.87 1pma n LEU 201 Cb 0.00 0.00 -0.09 0.00 -1.62 0.00 0.00 43.42 41.71 1pma n LEU 201 CO 0.00 -0.48 -0.05 -0.51 -1.22 0.00 0.00 177.39 175.13 1pma s ILE 202 N -0.94 0.08 0.00 -0.08 2.07 -1.26 -4.63 121.20 116.43 1pma s ILE 202 Ca 0.00 -0.66 0.00 0.00 -1.41 0.00 0.00 60.65 58.58 1pma s ILE 202 Cb 0.00 -0.68 0.00 0.00 0.13 0.00 0.00 42.46 41.91 1pma s ILE 202 CO 0.00 -0.36 0.00 -0.11 -1.91 0.00 0.00 174.94 172.56