#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 0.01 0.15 1.09 -1.32 -1.26 -0.80 115.64 113.51 1pma s THR 2 Ca 0.00 -0.07 0.01 0.00 -1.21 0.00 0.00 61.69 60.43 1pma s THR 2 Cb 0.00 -0.39 -0.04 0.00 -1.51 0.00 0.00 72.50 70.56 1pma s THR 2 CO 0.00 -0.04 -0.00 0.42 -2.21 0.00 0.00 174.62 172.79 1pma s THR 3 N -0.03 0.58 -0.28 5.08 -4.23 -0.18 -2.33 115.64 114.24 1pma s THR 3 Ca -0.02 -1.96 -0.18 0.00 -1.18 0.00 0.00 61.69 58.36 1pma s THR 3 Cb -0.02 -2.03 0.08 0.00 1.34 0.00 0.00 72.50 71.87 1pma s THR 3 CO 0.01 -0.55 0.72 0.54 -0.54 0.00 0.00 174.62 174.80 1pma s VAL 4 N -3.72 0.00 -0.01 2.29 0.11 -0.40 -1.28 120.40 117.40 1pma s VAL 4 Ca 0.22 0.00 0.04 0.00 -2.93 0.00 0.00 61.98 59.31 1pma s VAL 4 Cb 0.06 -1.00 -0.03 0.00 -1.53 0.00 0.00 36.38 33.88 1pma s VAL 4 CO 0.02 0.00 -0.13 -0.83 -3.33 0.00 0.00 175.10 170.83 1pma s GLY 5 N 1.40 1.61 -0.02 6.54 0.00 -0.06 -2.25 107.32 114.54 1pma s GLY 5 Ca -0.08 -1.05 -0.04 0.00 0.00 0.00 0.00 44.72 43.55 1pma s GLY 5 CO -0.16 -0.89 0.10 -1.50 0.00 0.00 0.00 173.10 170.65 1pma s ILE 6 N -0.87 0.03 0.00 0.90 2.07 -0.37 -1.19 121.20 121.77 1pma s ILE 6 Ca 0.14 -0.25 0.03 0.00 -1.41 0.00 0.00 60.65 59.15 1pma s ILE 6 Cb -0.11 -0.23 -0.03 0.00 0.13 0.00 0.00 42.46 42.22 1pma s ILE 6 CO 0.04 -0.14 -0.05 -0.89 -1.91 0.00 0.00 174.94 171.99 1pma s THR 7 N -0.43 3.75 -0.27 4.00 2.01 0.70 -1.79 115.64 123.60 1pma s THR 7 Ca -0.05 -0.74 -0.24 0.00 0.31 0.00 0.00 61.69 60.97 1pma s THR 7 Cb -0.03 -2.64 0.09 0.00 0.01 0.00 0.00 72.50 69.93 1pma s THR 7 CO 0.00 0.39 0.80 -1.48 -0.69 0.00 0.00 174.62 173.65 1pma s LEU 8 N -1.43 -0.68 0.00 4.42 0.05 -1.09 -4.86 118.68 115.08 1pma s LEU 8 Ca 0.17 1.29 0.00 0.00 0.05 0.00 0.00 54.13 55.65 1pma s LEU 8 Cb -0.11 2.30 0.00 0.00 -2.05 0.00 0.00 46.19 46.33 1pma s LEU 8 CO 0.08 -0.22 0.00 1.17 -0.55 0.00 0.00 176.35 176.83 1pma n LYS 9 N 2.70 0.00 -2.63 1.48 3.00 -1.26 -0.98 118.16 120.48 1pma n LYS 9 Ca -0.14 0.00 -0.19 0.00 -0.00 0.00 0.00 58.31 57.98 1pma n LYS 9 Cb 0.56 0.00 0.01 0.00 0.00 0.00 0.00 35.03 35.59 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 0.80 3.15 -3.64 3.14 8.00 -1.26 -4.76 116.55 121.98 1pma n ASP 10 Ca 0.00 -3.27 -0.02 0.00 0.71 0.00 0.00 54.79 52.21 1pma n ASP 10 Cb 0.00 -0.50 -0.01 0.00 -0.02 0.00 0.00 41.12 40.58 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 -3.30 -2.00 -0.02 2.24 0.00 -0.15 -4.57 121.76 113.96 1pma s ALA 11 Ca 0.39 0.71 -0.03 0.00 0.00 0.00 0.00 51.96 53.03 1pma s ALA 11 Cb 0.41 0.37 0.00 0.00 0.00 0.00 0.00 23.12 23.91 1pma s ALA 11 CO -0.09 -0.94 0.07 0.54 0.00 0.00 0.00 175.76 175.34 1pma s VAL 12 N -2.75 0.01 -0.02 0.00 0.11 -0.80 -2.68 120.40 114.27 1pma s VAL 12 Ca 0.12 -0.11 0.06 0.00 -2.93 0.00 0.00 61.98 59.12 1pma s VAL 12 Cb 0.02 -0.14 -0.01 0.00 -1.53 0.00 0.00 36.38 34.71 1pma s VAL 12 CO -0.03 -0.06 -0.20 -0.63 -3.33 0.00 0.00 175.10 170.85 1pma s ILE 13 N -0.16 1.63 -0.01 7.04 1.01 -0.74 -0.90 121.20 129.08 1pma s ILE 13 Ca -0.02 -0.87 0.01 0.00 0.00 0.00 0.00 60.65 59.77 1pma s ILE 13 Cb -0.02 -1.36 -0.00 0.00 0.01 0.00 0.00 42.46 41.09 1pma s ILE 13 CO 0.00 0.46 -0.04 -0.04 0.00 0.00 0.00 174.94 175.32 1pma s MET 14 N -0.39 0.36 0.11 2.79 -1.94 -0.27 -1.24 119.30 118.73 1pma s MET 14 Ca 0.06 -0.14 -0.17 0.00 -1.71 0.00 0.00 55.69 53.73 1pma s MET 14 Cb -0.09 -0.36 0.04 0.00 2.01 0.00 0.00 34.83 36.43 1pma s MET 14 CO -0.00 0.08 0.41 0.00 -0.01 0.00 0.00 175.02 175.50 1pma s ALA 15 N -0.02 -0.96 0.31 3.03 0.00 -0.95 -0.37 121.76 122.79 1pma s ALA 15 Ca 0.01 0.02 -0.08 0.00 0.00 0.00 0.00 51.96 51.90 1pma s ALA 15 Cb -0.03 0.65 0.01 0.00 0.00 0.00 0.00 23.12 23.75 1pma s ALA 15 CO -0.00 -0.62 0.51 0.95 0.00 0.00 0.00 175.76 176.60 1pma s THR 16 N -3.62 0.00 0.00 0.00 -4.23 -0.66 -1.27 115.64 105.86 1pma s THR 16 Ca 0.02 -1.46 0.00 0.00 -1.18 0.00 0.00 61.69 59.07 1pma s THR 16 Cb 0.01 -2.51 0.00 0.00 1.34 0.00 0.00 72.50 71.35 1pma s THR 16 CO -0.11 0.00 0.00 -1.84 -0.54 0.00 0.00 174.62 172.13 1pma n GLU 17 N -0.48 3.10 -2.62 3.99 -0.00 -0.99 -1.14 120.64 122.50 1pma n GLU 17 Ca -0.01 0.00 -0.02 0.00 -0.00 0.00 0.00 57.16 57.13 1pma n GLU 17 Cb 0.62 0.00 0.11 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 -0.04 1.36 -3.44 3.44 1.85 -0.74 -4.66 116.66 114.44 1pma n ARG 18 Ca 0.00 -1.64 -0.37 0.00 -1.00 0.00 0.00 57.85 54.84 1pma n ARG 18 Cb 0.00 0.05 -0.06 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 -0.61 4.24 -0.20 2.89 3.52 -0.83 -0.60 118.95 127.36 1pma s ARG 19 Ca 0.12 0.30 -0.01 0.00 -0.13 0.00 0.00 55.73 56.01 1pma s ARG 19 Cb 0.41 -3.40 0.01 0.00 -1.56 0.00 0.00 34.95 30.41 1pma s ARG 19 CO -0.11 0.27 -0.13 0.54 -0.81 0.00 0.00 175.30 175.07 1pma s VAL 20 N 0.30 2.61 0.25 7.11 0.11 0.84 -4.67 120.40 126.95 1pma s VAL 20 Ca 0.22 -0.80 0.08 0.00 -2.93 0.00 0.00 61.98 58.55 1pma s VAL 20 Cb -0.14 -2.16 -0.05 0.00 -1.53 0.00 0.00 36.38 32.49 1pma s VAL 20 CO 0.08 0.46 -0.12 0.28 -3.33 0.00 0.00 175.10 172.47 1pma s THR 21 N 1.36 1.82 -0.48 5.04 -1.32 -1.26 -0.54 115.64 120.26 1pma s THR 21 Ca 0.05 -2.21 0.03 0.00 -1.21 0.00 0.00 61.69 58.35 1pma s THR 21 Cb -0.14 -2.24 0.13 0.00 -1.51 0.00 0.00 72.50 68.74 1pma s THR 21 CO -0.09 -0.45 0.26 -0.32 -2.21 0.00 0.00 174.62 171.81 1pma s MET 22 N -3.65 1.65 5.84 7.08 -2.45 -0.54 -4.89 119.30 122.33 1pma s MET 22 Ca 0.26 -2.34 0.00 0.00 -1.25 0.00 0.00 55.69 52.36 1pma s MET 22 Cb 0.00 -2.84 0.00 0.00 1.25 0.00 0.00 34.83 33.24 1pma s MET 22 CO 0.10 -1.14 0.00 0.39 1.05 0.00 0.00 175.02 175.42 1pma n GLU 23 N 3.29 0.00 -0.01 4.11 1.02 -1.26 -1.85 120.64 125.94 1pma n GLU 23 Ca 0.07 0.00 0.09 0.00 -0.02 0.00 0.00 57.16 57.30 1pma n GLU 23 Cb 0.33 0.00 -0.14 0.00 -0.02 0.00 0.00 31.44 31.62 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 10.35 0.87 -4.55 1.62 6.94 -1.26 -4.83 115.26 124.40 1pma n ASN 24 Ca 0.00 -0.10 -0.40 0.00 -0.02 0.00 0.00 54.58 54.06 1pma n ASN 24 Cb 0.00 1.73 -0.03 0.00 -2.36 0.00 0.00 39.78 39.12 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 -3.19 2.05 -0.58 -2.53 5.36 -0.77 -4.92 117.98 113.40 1pma s PHE 25 Ca -0.05 0.25 -0.28 0.00 -0.96 0.00 0.00 56.93 55.90 1pma s PHE 25 Cb 0.12 -4.42 0.01 0.00 -0.34 0.00 0.00 43.02 38.39 1pma s PHE 25 CO 0.75 -2.16 1.48 -1.50 -1.46 0.00 0.00 175.22 172.34 1pma s ILE 26 N 7.05 3.70 -0.08 3.12 -1.16 -1.26 -1.47 121.20 131.10 1pma s ILE 26 Ca 0.48 0.56 0.07 0.00 -0.51 0.00 0.00 60.65 61.25 1pma s ILE 26 Cb -0.09 -4.38 -0.24 0.00 0.61 0.00 0.00 42.46 38.35 1pma s ILE 26 CO 0.16 -1.18 0.53 0.80 -2.81 0.00 0.00 174.94 172.44 1pma n MET 27 N 8.82 0.67 -3.85 3.50 0.00 -1.11 -4.86 117.12 120.29 1pma n MET 27 Ca 0.13 0.27 -0.28 0.00 -0.00 0.00 0.00 57.70 57.82 1pma n MET 27 Cb 0.49 -1.75 -0.16 0.00 0.00 0.00 0.00 33.22 31.80 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 -2.58 1.57 0.13 1.12 3.76 0.30 -5.01 115.29 114.59 1pma s HIS 28 Ca -0.10 -1.06 0.18 0.00 -0.15 0.00 0.00 55.06 53.92 1pma s HIS 28 Cb 0.07 -1.25 0.57 0.00 1.11 0.00 0.00 32.58 33.09 1pma s HIS 28 CO 0.81 -0.62 1.68 0.87 -0.85 0.00 0.00 174.74 176.63 1pma h LYS 29 N 8.14 0.00 -2.81 1.40 1.57 -1.84 0.24 116.57 123.27 1pma h LYS 29 Ca -0.21 0.00 -0.61 0.00 -1.87 0.00 0.00 60.65 57.96 1pma h LYS 29 Cb 1.11 0.00 -0.41 0.00 0.08 0.00 0.00 32.23 33.01 1pma h LYS 29 CO 0.38 0.42 -0.72 0.09 -0.57 0.00 0.00 179.45 179.04 1pma n ASN 30 N -3.51 1.74 -3.69 0.86 4.13 -1.24 -4.14 115.26 109.41 1pma n ASN 30 Ca -0.00 -2.91 -0.15 0.00 1.68 0.00 0.00 54.58 53.20 1pma n ASN 30 Cb 0.55 -0.68 0.08 0.00 -1.54 0.00 0.00 39.78 38.19 1pma n ASN 30 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1pma n GLY 31 N 2.27 0.73 3.04 7.41 0.00 0.23 -5.04 105.19 113.84 1pma n GLY 31 Ca 0.24 -2.01 -0.24 0.00 0.00 0.00 0.00 46.02 44.00 1pma n GLY 31 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1pma s LYS 32 N -4.16 1.64 0.00 1.61 2.20 -1.26 -4.82 119.74 114.95 1pma s LYS 32 Ca 0.44 -0.43 0.00 0.00 -0.36 0.00 0.00 55.97 55.61 1pma s LYS 32 Cb -0.02 -1.38 0.00 0.00 -1.51 0.00 0.00 37.83 34.92 1pma s LYS 32 CO 0.29 0.07 0.08 1.63 -0.36 0.00 0.00 175.35 177.06 1pma n LYS 33 N 3.65 4.11 -4.04 4.03 5.02 -1.26 -4.97 118.16 124.70 1pma n LYS 33 Ca -0.22 -0.08 -0.35 0.00 -2.02 0.00 0.00 58.31 55.65 1pma n LYS 33 Cb 0.52 -0.48 -0.13 0.00 -0.02 0.00 0.00 35.03 34.92 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 -1.22 3.19 -0.02 -0.35 2.96 -1.26 -1.63 118.68 120.35 1pma s LEU 34 Ca 0.00 -0.24 0.02 0.00 -0.22 0.00 0.00 54.13 53.69 1pma s LEU 34 Cb 0.00 -1.81 0.00 0.00 0.50 0.00 0.00 46.19 44.88 1pma s LEU 34 CO 0.00 0.04 -0.06 -0.36 -1.32 0.00 0.00 176.35 174.65 1pma s PHE 35 N 1.12 0.68 0.19 5.38 0.08 -0.41 -5.01 117.98 120.01 1pma s PHE 35 Ca 0.02 -0.15 -0.29 0.00 0.12 0.00 0.00 56.93 56.64 1pma s PHE 35 Cb -0.14 -0.49 -0.08 0.00 -0.57 0.00 0.00 43.02 41.74 1pma s PHE 35 CO 0.01 -0.06 0.90 -1.14 -0.10 0.00 0.00 175.22 174.83 1pma s GLN 36 N 0.14 4.76 0.00 0.44 0.74 -1.26 -0.41 119.66 124.06 1pma s GLN 36 Ca -0.02 1.40 0.00 0.00 0.05 0.00 0.00 55.36 56.79 1pma s GLN 36 Cb -0.06 -3.30 0.00 0.00 1.10 0.00 0.00 33.01 30.75 1pma s GLN 36 CO -0.00 0.46 0.07 1.51 -0.55 0.00 0.00 175.29 176.78 1pma n ILE 37 N 1.82 0.00 -3.59 -2.34 3.06 -0.27 -4.89 119.36 113.14 1pma n ILE 37 Ca -0.02 -0.48 -0.05 0.00 -2.50 0.00 0.00 62.75 59.70 1pma n ILE 37 Cb 0.48 1.01 -0.03 0.00 0.54 0.00 0.00 39.64 41.64 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 -0.81 -0.18 0.35 9.51 2.15 -0.99 -4.72 116.67 121.97 1pma s ASP 38 Ca 0.00 0.08 0.21 0.00 0.43 0.00 0.00 52.55 53.27 1pma s ASP 38 Cb 0.00 0.18 1.26 0.00 -0.30 0.00 0.00 42.92 44.06 1pma s ASP 38 CO 0.00 -0.25 1.45 0.35 -0.17 0.00 0.00 175.17 176.54 1pma n THR 39 N 0.17 -0.36 -1.83 1.71 -2.24 -1.26 -1.10 114.28 109.37 1pma n THR 39 Ca -0.03 1.82 -0.02 0.00 -2.27 0.00 0.00 64.05 63.56 1pma n THR 39 Cb 0.59 -2.97 0.14 0.00 -2.10 0.00 0.00 70.33 65.99 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 -4.98 0.75 -3.56 4.78 4.01 -1.26 -3.13 117.16 113.77 1pma n TYR 40 Ca 0.35 -1.62 -0.17 0.00 -0.16 0.00 0.00 57.90 56.30 1pma n TYR 40 Cb 1.23 -0.26 -0.06 0.00 -0.31 0.00 0.00 39.34 39.93 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 -3.33 0.00 0.26 -0.72 -1.32 -0.26 -1.71 115.64 108.56 1pma s THR 41 Ca 0.41 -0.02 0.02 0.00 -1.21 0.00 0.00 61.69 60.88 1pma s THR 41 Cb 0.38 -0.98 -0.05 0.00 -1.51 0.00 0.00 72.50 70.34 1pma s THR 41 CO -0.05 -0.01 0.09 -0.83 -2.21 0.00 0.00 174.62 171.61 1pma s GLY 42 N -0.81 1.74 -0.01 6.08 0.00 -0.26 -1.12 107.32 112.94 1pma s GLY 42 Ca -0.08 -1.87 -0.04 0.00 0.00 0.00 0.00 44.72 42.73 1pma s GLY 42 CO 0.08 -1.61 0.07 -0.29 0.00 0.00 0.00 173.10 171.35 1pma s MET 43 N -4.01 0.26 -0.10 2.90 1.75 0.45 -1.78 119.30 118.76 1pma s MET 43 Ca 0.37 -0.20 0.03 0.00 -1.25 0.00 0.00 55.69 54.64 1pma s MET 43 Cb 0.08 0.11 -0.00 0.00 2.84 0.00 0.00 34.83 37.85 1pma s MET 43 CO 0.13 -0.05 -0.22 0.95 -0.65 0.00 0.00 175.02 175.18 1pma s THR 44 N -0.72 2.24 0.06 10.11 -4.23 -0.49 -1.29 115.64 121.32 1pma s THR 44 Ca -0.08 -0.96 -0.09 0.00 -1.18 0.00 0.00 61.69 59.38 1pma s THR 44 Cb -0.05 -1.87 -0.06 0.00 1.34 0.00 0.00 72.50 71.87 1pma s THR 44 CO 0.00 0.56 0.37 -0.63 -0.54 0.00 0.00 174.62 174.38 1pma s ILE 45 N 0.29 5.14 -0.29 2.99 1.01 -0.65 -2.78 121.20 126.90 1pma s ILE 45 Ca -0.16 0.41 -0.12 0.00 0.00 0.00 0.00 60.65 60.78 1pma s ILE 45 Cb -0.17 -3.63 0.12 0.00 0.01 0.00 0.00 42.46 38.79 1pma s ILE 45 CO 0.08 0.33 0.70 0.00 0.00 0.00 0.00 174.94 176.05 1pma s ALA 46 N -1.35 -2.07 0.00 9.38 0.00 -1.12 -4.89 121.76 121.70 1pma s ALA 46 Ca 0.31 2.34 0.00 0.00 0.00 0.00 0.00 51.96 54.61 1pma s ALA 46 Cb -0.14 -1.71 0.00 0.00 0.00 0.00 0.00 23.12 21.27 1pma s ALA 46 CO 0.17 -0.77 0.00 0.41 0.00 0.00 0.00 175.76 175.58 1pma n GLY 47 N 5.05 0.36 3.66 0.00 0.00 -1.26 0.28 105.19 113.27 1pma n GLY 47 Ca -0.14 -1.44 -0.43 0.00 0.00 0.00 0.00 46.02 44.01 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 4.10 0.13 0.99 2.96 -1.03 -4.98 118.68 120.85 1pma s LEU 48 Ca 0.00 1.28 -0.31 0.00 -0.22 0.00 0.00 54.13 54.88 1pma s LEU 48 Cb 0.00 -3.42 -0.08 0.00 0.50 0.00 0.00 46.19 43.18 1pma s LEU 48 CO 0.00 -0.60 1.57 -0.37 -1.32 0.00 0.00 176.35 175.63 1pma h VAL 49 N 5.42 0.08 -0.77 1.68 -1.51 -1.96 -1.12 116.25 118.07 1pma h VAL 49 Ca -0.21 0.00 0.12 0.00 -1.23 0.00 0.00 66.70 65.38 1pma h VAL 49 Cb 1.08 0.08 -0.13 0.00 -2.13 0.00 0.00 31.29 30.19 1pma h VAL 49 CO 0.94 0.00 -0.39 1.23 -1.23 0.00 0.00 177.57 178.12 1pma h GLY 50 N -0.54 -0.13 0.98 5.19 0.00 -1.97 0.24 103.07 106.84 1pma h GLY 50 Ca 0.06 0.51 -0.01 0.00 0.00 0.00 0.00 47.33 47.89 1pma h GLY 50 CO -0.41 -0.19 0.27 -0.55 0.00 0.00 0.00 176.54 175.66 1pma h ASP 51 N -0.10 0.60 0.22 0.19 3.32 -1.85 -2.86 116.42 115.95 1pma h ASP 51 Ca 0.27 -0.09 -0.01 0.00 0.02 0.00 0.00 57.03 57.22 1pma h ASP 51 Cb 0.57 -0.15 -0.00 0.00 0.22 0.00 0.00 39.33 39.96 1pma h ASP 51 CO -0.82 0.52 -0.14 0.00 -1.72 0.00 0.00 179.24 177.07 1pma h ALA 52 N 1.11 -0.34 0.16 3.45 0.00 0.34 -2.50 119.26 121.49 1pma h ALA 52 Ca 0.17 -0.06 0.02 0.00 0.00 0.00 0.00 54.91 55.03 1pma h ALA 52 Cb 0.05 0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.97 1pma h ALA 52 CO -0.03 -0.70 -0.37 1.96 0.00 0.00 0.00 179.25 180.12 1pma h GLN 53 N -0.35 -0.60 -0.79 0.00 4.20 -0.56 -0.81 115.11 116.19 1pma h GLN 53 Ca -0.02 0.04 0.11 0.00 0.06 0.00 0.00 58.65 58.84 1pma h GLN 53 Cb 0.30 0.14 -0.06 0.00 0.30 0.00 0.00 27.48 28.16 1pma h GLN 53 CO 0.02 -0.40 0.52 -0.24 -0.67 0.00 0.00 178.83 178.05 1pma h VAL 54 N -0.62 0.91 -0.39 -0.54 3.04 -1.55 -0.34 116.25 116.77 1pma h VAL 54 Ca 0.02 -0.23 -0.11 0.00 -1.01 0.00 0.00 66.70 65.37 1pma h VAL 54 Cb 0.63 0.18 -0.01 0.00 -2.01 0.00 0.00 31.29 30.08 1pma h VAL 54 CO -0.19 0.12 -0.20 0.25 -1.01 0.00 0.00 177.57 176.54 1pma h LEU 55 N 0.68 0.75 -0.62 3.16 5.85 -0.91 -0.88 115.31 123.34 1pma h LEU 55 Ca 0.37 -0.26 -0.10 0.00 0.84 0.00 0.00 57.88 58.73 1pma h LEU 55 Cb 0.53 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.33 1pma h LEU 55 CO -0.14 0.94 -0.01 1.62 -0.34 0.00 0.00 178.44 180.51 1pma h VAL 56 N 0.66 1.27 -0.25 1.05 3.04 0.33 -0.78 116.25 121.56 1pma h VAL 56 Ca 0.10 -1.17 -0.04 0.00 -1.01 0.00 0.00 66.70 64.58 1pma h VAL 56 Cb 0.70 0.80 -0.01 0.00 -2.01 0.00 0.00 31.29 30.77 1pma h VAL 56 CO 0.05 0.42 0.01 0.03 -1.01 0.00 0.00 177.57 177.08 1pma h ARG 57 N 0.98 0.43 0.38 4.17 3.08 -0.99 0.47 114.38 122.91 1pma h ARG 57 Ca 0.17 -0.13 -0.01 0.00 0.07 0.00 0.00 59.98 60.08 1pma h ARG 57 Cb 0.57 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.57 1pma h ARG 57 CO 0.03 0.59 -0.28 1.88 -1.07 0.00 0.00 179.97 181.12 1pma h TYR 58 N 0.22 -0.74 -0.64 3.04 -1.99 -1.09 -2.08 116.97 113.68 1pma h TYR 58 Ca 0.07 -0.00 0.13 0.00 2.00 0.00 0.00 58.73 60.93 1pma h TYR 58 Cb 0.39 0.28 -0.11 0.00 2.00 0.00 0.00 36.73 39.29 1pma h TYR 58 CO 0.03 -0.42 0.00 1.98 -0.00 0.00 0.00 178.16 179.75 1pma h MET 59 N -0.66 0.11 0.12 4.88 4.05 -1.00 -0.94 114.93 121.49 1pma h MET 59 Ca -0.03 -0.01 0.02 0.00 -0.28 0.00 0.00 59.70 59.40 1pma h MET 59 Cb 0.56 -0.03 -0.04 0.00 -0.80 0.00 0.00 31.60 31.29 1pma h MET 59 CO 0.01 0.07 -0.39 -0.22 0.23 0.00 0.00 176.91 176.61 1pma h LYS 60 N 0.12 -0.60 -0.15 0.39 3.64 -0.50 -2.12 116.57 117.34 1pma h LYS 60 Ca 0.34 0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.75 1pma h LYS 60 Cb 0.55 0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 32.50 1pma h LYS 60 CO -0.55 -0.40 0.07 0.00 -2.27 0.00 0.00 179.45 176.30 1pma h ALA 61 N -0.10 0.19 -0.75 5.00 0.00 -0.86 -2.54 119.26 120.20 1pma h ALA 61 Ca 0.02 -0.07 0.12 0.00 0.00 0.00 0.00 54.91 54.98 1pma h ALA 61 Cb 0.65 -0.06 -0.09 0.00 0.00 0.00 0.00 17.79 18.30 1pma h ALA 61 CO -0.23 -0.25 0.35 1.49 0.00 0.00 0.00 179.25 180.61 1pma h GLU 62 N 0.12 0.52 -0.15 0.00 4.57 -1.01 0.13 114.58 118.76 1pma h GLU 62 Ca 0.05 -0.03 -0.04 0.00 -1.18 0.00 0.00 59.36 58.16 1pma h GLU 62 Cb 0.11 -0.12 -0.00 0.00 -0.16 0.00 0.00 28.75 28.58 1pma h GLU 62 CO -0.01 0.34 -0.06 -0.07 -1.18 0.00 0.00 179.01 178.04 1pma h LEU 63 N 0.54 0.31 -0.44 1.64 4.07 -1.31 -2.08 115.31 118.03 1pma h LEU 63 Ca 0.40 -0.39 0.04 0.00 0.08 0.00 0.00 57.88 58.00 1pma h LEU 63 Cb 0.53 -0.08 -0.04 0.00 1.08 0.00 0.00 40.66 42.15 1pma h LEU 63 CO -0.34 0.63 0.22 -0.08 -1.08 0.00 0.00 178.44 177.79 1pma h GLU 64 N -0.02 0.43 -0.00 1.13 4.81 -0.95 0.18 114.58 120.16 1pma h GLU 64 Ca 0.04 -0.03 0.02 0.00 -0.13 0.00 0.00 59.36 59.26 1pma h GLU 64 Cb 0.51 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.77 1pma h GLU 64 CO 0.02 0.28 -0.11 1.25 -0.73 0.00 0.00 179.01 179.72 1pma h LEU 65 N 0.44 -0.33 -0.28 1.64 5.85 -0.76 -2.14 115.31 119.73 1pma h LEU 65 Ca 0.19 0.05 0.07 0.00 0.84 0.00 0.00 57.88 59.03 1pma h LEU 65 Cb 0.10 0.14 -0.07 0.00 0.37 0.00 0.00 40.66 41.20 1pma h LEU 65 CO -0.14 -0.16 -0.17 0.22 -0.34 0.00 0.00 178.44 177.86 1pma h TYR 66 N -0.19 -0.41 -0.57 1.25 5.03 -0.63 -0.56 116.97 120.88 1pma h TYR 66 Ca 0.04 0.03 0.11 0.00 2.58 0.00 0.00 58.73 61.49 1pma h TYR 66 Cb 0.24 0.23 -0.08 0.00 1.55 0.00 0.00 36.73 38.67 1pma h TYR 66 CO -0.17 -0.24 0.09 -0.09 -1.32 0.00 0.00 178.16 176.43 1pma h ARG 67 N -0.14 0.21 -0.29 1.82 2.43 -0.29 0.38 114.38 118.50 1pma h ARG 67 Ca 0.15 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.30 1pma h ARG 67 Cb 0.36 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.85 1pma h ARG 67 CO -0.37 0.14 0.14 -0.07 -1.51 0.00 0.00 179.97 178.30 1pma h LEU 68 N 0.22 0.39 -0.56 3.80 4.07 -0.58 0.32 115.31 122.96 1pma h LEU 68 Ca 0.30 -0.14 -0.16 0.00 0.08 0.00 0.00 57.88 57.96 1pma h LEU 68 Cb 0.44 -0.10 -0.01 0.00 1.08 0.00 0.00 40.66 42.07 1pma h LEU 68 CO -0.41 0.42 -0.69 1.56 -1.08 0.00 0.00 178.44 178.24 1pma h GLN 69 N 0.34 0.15 -0.02 1.13 4.20 -0.53 -3.25 115.11 117.13 1pma h GLN 69 Ca 0.10 -0.12 0.00 0.00 0.06 0.00 0.00 58.65 58.69 1pma h GLN 69 Cb 0.13 0.03 0.00 0.00 0.30 0.00 0.00 27.48 27.94 1pma h GLN 69 CO -0.01 0.78 -0.36 0.54 -0.67 0.00 0.00 178.83 179.11 1pma n ARG 70 N -3.78 1.48 -1.06 1.46 1.74 0.13 -4.96 116.66 111.67 1pma n ARG 70 Ca -0.02 -1.16 -0.02 0.00 -0.77 0.00 0.00 57.85 55.88 1pma n ARG 70 Cb 0.68 -1.44 -0.01 0.00 -1.02 0.00 0.00 32.46 30.67 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 0.24 -1.83 -3.89 5.56 3.00 0.11 -4.92 116.66 114.94 1pma n ARG 71 Ca 0.10 0.55 -0.09 0.00 -0.00 0.00 0.00 57.85 58.41 1pma n ARG 71 Cb 0.47 -4.96 -0.08 0.00 0.00 0.00 0.00 32.46 27.89 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 -1.24 0.14 0.41 5.15 0.11 -1.19 -5.02 120.40 118.77 1pma s VAL 72 Ca 0.00 -1.16 -0.23 0.00 -2.93 0.00 0.00 61.98 57.65 1pma s VAL 72 Cb 0.00 -1.19 -0.09 0.00 -1.53 0.00 0.00 36.38 33.57 1pma s VAL 72 CO 0.00 -0.64 1.06 0.20 -3.33 0.00 0.00 175.10 172.39 1pma s ASN 73 N -2.57 6.65 -0.01 3.54 -0.87 -1.26 -4.26 114.94 116.16 1pma s ASN 73 Ca 0.01 2.05 -0.30 0.00 -1.57 0.00 0.00 52.86 53.05 1pma s ASN 73 Cb 0.03 -2.58 -0.05 0.00 -0.02 0.00 0.00 41.25 38.63 1pma s ASN 73 CO -0.08 -0.56 1.28 -0.32 -2.57 0.00 0.00 177.10 174.84 1pma s MET 74 N -2.60 4.34 0.69 -0.60 -2.45 -1.26 -5.00 119.30 112.42 1pma s MET 74 Ca 0.59 1.80 -0.17 0.00 -1.25 0.00 0.00 55.69 56.67 1pma s MET 74 Cb -0.22 -3.52 0.02 0.00 1.25 0.00 0.00 34.83 32.36 1pma s MET 74 CO 0.27 -0.46 1.26 -2.14 1.05 0.00 0.00 175.02 175.01 1pma s PRO 75 N 2.07 2.29 0.19 4.11 0.02 -1.26 -4.80 135.00 137.62 1pma s PRO 75 Ca 0.59 1.96 -0.12 0.00 0.02 0.00 0.00 61.00 63.45 1pma s PRO 75 Cb -0.28 -1.83 0.10 0.00 0.02 0.00 0.00 34.50 32.51 1pma s PRO 75 CO 0.25 -1.77 1.84 0.82 -0.33 0.00 0.00 177.00 177.81 1pma h ILE 76 N 0.12 1.17 0.00 2.83 1.08 -1.94 -0.36 117.51 120.42 1pma h ILE 76 Ca -0.50 -0.35 -0.01 0.00 -0.39 0.00 0.00 64.86 63.61 1pma h ILE 76 Cb 1.32 0.28 -0.00 0.00 -3.07 0.00 0.00 36.82 35.35 1pma h ILE 76 CO 0.51 0.17 -0.07 -0.08 -0.69 0.00 0.00 178.15 178.00 1pma h GLU 77 N 0.85 0.00 -0.00 2.37 4.81 -1.99 -2.23 114.58 118.39 1pma h GLU 77 Ca 0.23 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.44 1pma h GLU 77 Cb -0.06 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.32 1pma h GLU 77 CO -0.05 0.07 -0.06 0.00 -0.73 0.00 0.00 179.01 178.24 1pma h ALA 78 N 1.93 0.01 -0.58 2.92 0.00 -1.46 -2.05 119.26 120.04 1pma h ALA 78 Ca -0.00 -0.39 0.05 0.00 0.00 0.00 0.00 54.91 54.57 1pma h ALA 78 Cb 0.21 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 17.96 1pma h ALA 78 CO 0.01 -0.08 0.32 -0.24 0.00 0.00 0.00 179.25 179.26 1pma h VAL 79 N -0.67 0.98 -0.22 0.00 3.04 -1.12 0.14 116.25 118.40 1pma h VAL 79 Ca -0.01 -0.21 0.03 0.00 -1.01 0.00 0.00 66.70 65.50 1pma h VAL 79 Cb 0.80 0.32 -0.03 0.00 -2.01 0.00 0.00 31.29 30.37 1pma h VAL 79 CO 0.01 0.11 0.05 0.00 -1.01 0.00 0.00 177.57 176.73 1pma h ALA 80 N 1.29 0.23 -0.60 3.17 0.00 -1.46 0.19 119.26 122.08 1pma h ALA 80 Ca 0.25 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.19 1pma h ALA 80 Cb 0.13 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 1pma h ALA 80 CO -0.15 -0.37 0.35 1.15 0.00 0.00 0.00 179.25 180.22 1pma h THR 81 N 0.14 1.18 0.45 0.00 2.02 -0.94 0.38 112.91 116.14 1pma h THR 81 Ca 0.10 -0.43 -0.01 0.00 0.77 0.00 0.00 66.41 66.83 1pma h THR 81 Cb 0.09 0.38 -0.03 0.00 -1.74 0.00 0.00 68.15 66.86 1pma h THR 81 CO -0.13 0.19 -0.51 0.25 0.37 0.00 0.00 175.52 175.70 1pma h LEU 82 N 0.81 -1.41 -0.74 2.58 5.85 0.20 0.29 115.31 122.89 1pma h LEU 82 Ca 0.21 0.12 0.14 0.00 0.84 0.00 0.00 57.88 59.19 1pma h LEU 82 Cb 0.01 0.47 -0.10 0.00 0.37 0.00 0.00 40.66 41.41 1pma h LEU 82 CO -0.04 -0.65 0.28 0.25 -0.34 0.00 0.00 178.44 177.94 1pma h LEU 83 N -0.97 0.24 -0.05 2.25 5.85 -0.35 -0.73 115.31 121.55 1pma h LEU 83 Ca -0.06 0.11 0.04 0.00 0.84 0.00 0.00 57.88 58.82 1pma h LEU 83 Cb 0.85 0.10 -0.05 0.00 0.37 0.00 0.00 40.66 41.93 1pma h LEU 83 CO -0.09 0.09 -0.28 -1.28 -0.34 0.00 0.00 178.44 176.53 1pma h SER 84 N 0.42 -0.86 -0.31 1.25 0.87 0.45 -1.21 113.55 114.15 1pma h SER 84 Ca 0.41 0.12 0.05 0.00 -1.23 0.00 0.00 61.79 61.14 1pma h SER 84 Cb 0.62 0.36 -0.05 0.00 -0.44 0.00 0.00 62.40 62.90 1pma h SER 84 CO -0.41 -0.34 0.01 0.78 -0.53 0.00 0.00 176.83 176.34 1pma h ASN 85 N -0.40 -0.10 -0.07 6.23 4.21 0.45 -0.23 115.58 125.68 1pma h ASN 85 Ca 0.08 0.07 0.04 0.00 1.21 0.00 0.00 56.30 57.69 1pma h ASN 85 Cb 0.51 0.11 -0.06 0.00 -1.12 0.00 0.00 38.32 37.77 1pma h ASN 85 CO -0.28 -0.01 -0.35 0.24 -1.29 0.00 0.00 177.43 175.74 1pma h MET 86 N 0.10 -0.44 -0.02 0.81 2.86 -0.50 -0.72 114.93 117.03 1pma h MET 86 Ca 0.15 0.03 -0.00 0.00 -2.06 0.00 0.00 59.70 57.82 1pma h MET 86 Cb 0.19 0.10 -0.00 0.00 0.06 0.00 0.00 31.60 31.95 1pma h MET 86 CO -0.24 -0.29 0.01 -0.07 1.06 0.00 0.00 176.91 177.38 1pma h LEU 87 N -0.46 0.02 -0.60 1.22 4.07 -0.98 -3.07 115.31 115.52 1pma h LEU 87 Ca 0.08 -0.06 -0.02 0.00 0.08 0.00 0.00 57.88 57.96 1pma h LEU 87 Cb 0.58 -0.01 -0.03 0.00 1.08 0.00 0.00 40.66 42.28 1pma h LEU 87 CO -0.33 0.07 0.31 -1.13 -1.08 0.00 0.00 178.44 176.28 1pma h ASN 88 N -0.03 0.77 -0.28 -0.43 -0.73 -0.89 -2.51 115.58 111.49 1pma h ASN 88 Ca 0.01 -0.12 0.08 0.00 1.87 0.00 0.00 56.30 58.14 1pma h ASN 88 Cb 0.06 -0.20 -0.01 0.00 0.27 0.00 0.00 38.32 38.44 1pma h ASN 88 CO -0.00 0.67 0.57 -0.61 -0.37 0.00 0.00 177.43 177.69 1pma h GLN 89 N 0.82 0.00 0.00 6.67 4.15 -1.02 0.10 115.11 125.83 1pma h GLN 89 Ca 0.21 0.00 -0.05 0.00 0.77 0.00 0.00 58.65 59.58 1pma h GLN 89 Cb 0.09 0.00 -0.11 0.00 0.21 0.00 0.00 27.48 27.67 1pma h GLN 89 CO -0.03 0.00 -0.62 1.55 -1.93 0.00 0.00 178.83 177.80 1pma n VAL 90 N -3.17 1.47 -0.07 2.39 3.14 -0.96 -4.84 118.33 116.28 1pma n VAL 90 Ca 0.05 -2.41 0.24 0.00 -2.96 0.00 0.00 64.34 59.26 1pma n VAL 90 Cb 0.69 0.15 0.72 0.00 -1.06 0.00 0.00 33.84 34.33 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 0.89 0.00 0.00 1.45 2.10 -0.57 0.29 116.57 120.73 1pma h LYS 91 Ca -0.07 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.58 1pma h LYS 91 Cb 1.28 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.61 1pma h LYS 91 CO 0.03 0.00 0.00 0.66 -2.00 0.00 0.00 179.45 178.14 1pma n TYR 92 N -4.19 0.00 -2.87 0.07 4.01 -1.26 -3.60 117.16 109.32 1pma n TYR 92 Ca 0.13 0.00 -0.12 0.00 -0.16 0.00 0.00 57.90 57.76 1pma n TYR 92 Cb 0.78 -0.49 0.04 0.00 -0.31 0.00 0.00 39.34 39.36 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 -1.49 1.05 -0.85 -0.72 2.81 0.82 -5.14 117.12 113.61 1pma n MET 93 Ca 0.07 -2.67 -0.33 0.00 -1.81 0.00 0.00 57.70 52.96 1pma n MET 93 Cb 0.32 -1.15 0.12 0.00 -0.71 0.00 0.00 33.22 31.81 1pma n MET 93 CO 0.00 0.00 0.00 -0.35 1.51 0.00 0.00 175.97 177.13 1pma n PRO 94 N 0.10 -0.22 -3.00 0.03 -0.04 -0.09 -4.95 135.00 126.84 1pma n PRO 94 Ca 0.12 -0.01 -0.43 0.00 -0.04 0.00 0.00 63.50 63.13 1pma n PRO 94 Cb 0.73 -1.99 -0.05 0.00 -0.04 0.00 0.00 33.50 32.15 1pma n PRO 94 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 1pma s TYR 95 N -2.36 2.90 -0.66 0.54 2.02 -1.26 -4.94 117.35 113.58 1pma s TYR 95 Ca 0.61 -0.38 -0.26 0.00 -0.37 0.00 0.00 57.07 56.67 1pma s TYR 95 Cb -0.24 -3.87 -0.07 0.00 -0.40 0.00 0.00 41.96 37.39 1pma s TYR 95 CO 0.63 -1.25 2.17 -1.64 -1.57 0.00 0.00 175.55 173.89 1pma s MET 96 N 3.30 2.23 0.21 -0.62 -1.94 -1.26 -4.72 119.30 116.49 1pma s MET 96 Ca 0.21 0.67 -0.21 0.00 -1.71 0.00 0.00 55.69 54.66 1pma s MET 96 Cb -0.17 -4.66 0.04 0.00 2.01 0.00 0.00 34.83 32.06 1pma s MET 96 CO 0.14 -3.39 0.62 0.54 -0.01 0.00 0.00 175.02 172.92 1pma s VAL 97 N 11.46 0.01 -0.17 -6.03 0.11 -1.26 -2.45 120.40 122.07 1pma s VAL 97 Ca 0.83 -0.53 -0.04 0.00 -2.93 0.00 0.00 61.98 59.31 1pma s VAL 97 Cb -0.13 -1.47 0.06 0.00 -1.53 0.00 0.00 36.38 33.31 1pma s VAL 97 CO 0.16 -0.03 0.08 -1.58 -3.33 0.00 0.00 175.10 170.39 1pma s GLN 98 N -3.84 0.19 0.04 1.54 0.74 0.14 -3.39 119.66 115.09 1pma s GLN 98 Ca 0.06 -0.13 0.02 0.00 0.05 0.00 0.00 55.36 55.36 1pma s GLN 98 Cb -0.03 -1.81 -0.04 0.00 1.10 0.00 0.00 33.01 32.24 1pma s GLN 98 CO -0.04 -0.64 0.07 -0.51 -0.55 0.00 0.00 175.29 173.62 1pma s LEU 99 N 2.08 3.80 -0.20 3.68 1.43 -1.03 -2.81 118.68 125.63 1pma s LEU 99 Ca 0.02 0.04 -0.01 0.00 -1.03 0.00 0.00 54.13 53.15 1pma s LEU 99 Cb -0.16 -2.36 0.06 0.00 0.03 0.00 0.00 46.19 43.76 1pma s LEU 99 CO -0.08 0.22 -0.01 -0.22 0.23 0.00 0.00 176.35 176.48 1pma s LEU 100 N -2.07 1.74 -0.17 1.79 2.96 -1.12 -1.07 118.68 120.74 1pma s LEU 100 Ca 0.26 -0.90 -0.00 0.00 -0.22 0.00 0.00 54.13 53.27 1pma s LEU 100 Cb -0.12 -0.86 -0.00 0.00 0.50 0.00 0.00 46.19 45.71 1pma s LEU 100 CO 0.18 -0.26 -0.14 0.54 -1.32 0.00 0.00 176.35 175.36 1pma s VAL 101 N 1.65 2.75 0.27 1.68 0.11 -0.50 -1.40 120.40 124.97 1pma s VAL 101 Ca -0.02 -0.73 0.06 0.00 -2.93 0.00 0.00 61.98 58.35 1pma s VAL 101 Cb -0.17 -2.17 -0.06 0.00 -1.53 0.00 0.00 36.38 32.45 1pma s VAL 101 CO -0.07 0.50 -0.05 -0.83 -3.33 0.00 0.00 175.10 171.32 1pma s GLY 102 N 0.92 1.80 0.00 6.54 0.00 -0.74 0.08 107.32 115.93 1pma s GLY 102 Ca -0.03 -1.89 0.00 0.00 0.00 0.00 0.00 44.72 42.80 1pma s GLY 102 CO -0.01 -1.82 0.00 0.61 0.00 0.00 0.00 173.10 171.88 1pma n GLY 103 N -0.56 -1.31 3.19 0.20 0.00 -0.52 -1.11 105.19 105.08 1pma n GLY 103 Ca -0.05 -0.95 -0.10 0.00 0.00 0.00 0.00 46.02 44.92 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 -2.95 -0.55 0.00 -0.61 2.07 -0.69 -1.38 121.20 117.08 1pma s ILE 104 Ca 0.00 0.20 0.00 0.00 -1.41 0.00 0.00 60.65 59.44 1pma s ILE 104 Cb 0.00 -0.60 0.00 0.00 0.13 0.00 0.00 42.46 41.99 1pma s ILE 104 CO 0.00 0.08 0.00 -0.90 -1.91 0.00 0.00 174.94 172.21 1pma n ASP 105 N 5.31 0.00 0.25 4.50 5.68 -1.26 -4.86 116.55 126.18 1pma n ASP 105 Ca -0.09 0.00 0.15 0.00 -0.50 0.00 0.00 54.79 54.35 1pma n ASP 105 Cb 0.50 0.00 0.54 0.00 -1.14 0.00 0.00 41.12 41.01 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 0.11 -2.90 2.12 1.03 -2.02 -3.46 112.91 107.79 1pma h THR 106 Ca 0.00 -0.74 0.03 0.00 -0.01 0.00 0.00 66.41 65.68 1pma h THR 106 Cb 0.00 1.67 -0.10 0.00 -1.07 0.00 0.00 68.15 68.64 1pma h THR 106 CO 0.00 0.05 0.25 0.00 -0.01 0.00 0.00 175.52 175.81 1pma s ALA 107 N -3.56 -1.52 0.58 0.00 0.00 -1.26 -5.17 121.76 110.82 1pma s ALA 107 Ca 0.02 0.31 -0.19 0.00 0.00 0.00 0.00 51.96 52.10 1pma s ALA 107 Cb 0.08 0.82 -0.04 0.00 0.00 0.00 0.00 23.12 23.98 1pma s ALA 107 CO 0.59 -0.85 1.18 -2.14 0.00 0.00 0.00 175.76 174.54 1pma s PRO 108 N -3.72 3.10 0.05 0.00 0.02 -1.26 -4.48 135.00 128.72 1pma s PRO 108 Ca 0.05 1.75 -0.20 0.00 0.02 0.00 0.00 61.00 62.62 1pma s PRO 108 Cb -0.02 -1.96 0.04 0.00 0.02 0.00 0.00 34.50 32.59 1pma s PRO 108 CO -0.07 -1.08 0.47 -1.01 -0.33 0.00 0.00 177.00 174.98 1pma s HIS 109 N -1.65 -0.35 -0.23 6.54 3.76 -0.48 -4.96 115.29 117.92 1pma s HIS 109 Ca 0.76 0.34 -0.10 0.00 -0.15 0.00 0.00 55.06 55.91 1pma s HIS 109 Cb -0.28 0.29 0.09 0.00 1.11 0.00 0.00 32.58 33.79 1pma s HIS 109 CO 0.31 -0.62 0.51 0.54 -0.85 0.00 0.00 174.74 174.63 1pma s VAL 110 N -2.56 -0.47 0.04 -0.90 0.11 -1.26 -1.44 120.40 113.92 1pma s VAL 110 Ca -0.05 0.09 0.08 0.00 -2.93 0.00 0.00 61.98 59.17 1pma s VAL 110 Cb -0.01 -0.78 -0.03 0.00 -1.53 0.00 0.00 36.38 34.04 1pma s VAL 110 CO -0.03 0.04 -0.24 -0.36 -3.33 0.00 0.00 175.10 171.18 1pma s PHE 111 N 2.23 2.08 -0.22 1.54 0.40 0.11 -3.06 117.98 121.07 1pma s PHE 111 Ca -0.06 -0.39 -0.10 0.00 -0.60 0.00 0.00 56.93 55.78 1pma s PHE 111 Cb -0.10 -1.25 -0.05 0.00 0.51 0.00 0.00 43.02 42.13 1pma s PHE 111 CO -0.15 0.10 0.13 0.45 0.70 0.00 0.00 175.22 176.45 1pma s SER 112 N -1.16 6.03 -0.04 1.36 0.15 0.59 -1.41 113.70 119.22 1pma s SER 112 Ca 0.10 0.13 0.06 0.00 0.70 0.00 0.00 55.95 56.94 1pma s SER 112 Cb -0.09 -2.07 -0.01 0.00 -1.71 0.00 0.00 66.02 62.14 1pma s SER 112 CO 0.02 0.12 -0.24 -0.63 1.20 0.00 0.00 173.24 173.71 1pma s ILE 113 N 0.72 1.93 0.34 6.45 -1.09 -0.24 -1.13 121.20 128.19 1pma s ILE 113 Ca 0.07 -1.01 0.08 0.00 -2.23 0.00 0.00 60.65 57.56 1pma s ILE 113 Cb -0.13 -1.62 -0.03 0.00 -1.58 0.00 0.00 42.46 39.10 1pma s ILE 113 CO 0.01 0.54 0.23 1.51 -1.23 0.00 0.00 174.94 176.00 1pma s ASP 114 N -0.25 4.99 0.00 3.58 1.47 -0.23 -2.47 116.67 123.76 1pma s ASP 114 Ca 0.00 -0.64 0.00 0.00 1.18 0.00 0.00 52.55 53.09 1pma s ASP 114 Cb -0.12 -0.83 0.00 0.00 -0.34 0.00 0.00 42.92 41.63 1pma s ASP 114 CO 0.02 -0.35 0.53 0.00 0.68 0.00 0.00 175.17 176.06 1pma n ALA 115 N -1.28 1.17 -0.11 2.11 0.00 -1.22 -0.80 120.51 120.38 1pma n ALA 115 Ca -0.02 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.45 1pma n ALA 115 Cb 0.61 -0.84 0.08 0.00 0.00 0.00 0.00 19.45 19.30 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 -1.03 2.10 -0.76 0.00 0.00 -1.26 -4.57 120.51 114.99 1pma n ALA 116 Ca 0.00 -1.09 0.00 0.00 0.00 0.00 0.00 53.44 52.35 1pma n ALA 116 Cb 0.02 -0.24 0.00 0.00 0.00 0.00 0.00 19.45 19.23 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 0.05 0.55 3.67 0.00 0.00 0.02 -3.67 105.19 105.80 1pma n GLY 117 Ca 0.06 -0.71 -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 -2.64 2.08 -0.05 -0.02 0.00 -1.24 -4.74 107.32 100.71 1pma s GLY 118 Ca 0.00 0.17 0.04 0.00 0.00 0.00 0.00 44.72 44.93 1pma s GLY 118 CO 0.00 1.88 -0.16 -0.45 0.00 0.00 0.00 173.10 174.36 1pma s SER 119 N 1.15 2.09 -0.15 1.64 0.15 -1.26 -1.06 113.70 116.27 1pma s SER 119 Ca 0.43 -0.34 -0.12 0.00 0.70 0.00 0.00 55.95 56.61 1pma s SER 119 Cb -0.17 -0.63 0.04 0.00 -1.71 0.00 0.00 66.02 63.55 1pma s SER 119 CO 0.13 0.14 0.38 0.54 1.20 0.00 0.00 173.24 175.62 1pma s VAL 120 N 0.12 -0.01 0.09 4.45 0.11 -0.28 -4.97 120.40 119.91 1pma s VAL 120 Ca -0.05 0.02 -0.09 0.00 -2.93 0.00 0.00 61.98 58.93 1pma s VAL 120 Cb -0.12 -0.54 -0.06 0.00 -1.53 0.00 0.00 36.38 34.13 1pma s VAL 120 CO 0.02 0.01 0.41 -0.70 -3.33 0.00 0.00 175.10 171.51 1pma s GLU 121 N 0.45 3.75 0.22 1.54 2.12 -1.26 -0.30 118.70 125.22 1pma s GLU 121 Ca -0.02 0.16 0.02 0.00 0.36 0.00 0.00 54.97 55.49 1pma s GLU 121 Cb -0.04 -2.96 -0.01 0.00 0.26 0.00 0.00 34.13 31.38 1pma s GLU 121 CO -0.02 0.54 0.25 -3.47 -0.54 0.00 0.00 175.26 172.01 1pma n ASP 122 N 0.76 -0.67 -0.16 -1.70 2.03 -1.17 -4.98 116.55 110.66 1pma n ASP 122 Ca -0.07 -2.33 0.11 0.00 0.52 0.00 0.00 54.79 53.02 1pma n ASP 122 Cb 0.52 1.37 0.12 0.00 -0.72 0.00 0.00 41.12 42.42 1pma n ASP 122 CO 0.00 0.00 0.00 2.30 -1.92 0.00 0.00 177.20 177.58 1pma n ILE 123 N -0.40 0.00 -3.64 5.18 -0.00 -1.26 -4.47 119.36 114.78 1pma n ILE 123 Ca 0.03 -0.08 -0.03 0.00 -0.00 0.00 0.00 62.75 62.67 1pma n ILE 123 Cb 0.39 0.70 -0.03 0.00 -0.00 0.00 0.00 39.64 40.70 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 -2.77 -0.05 -0.21 4.28 1.13 -1.26 -0.22 117.35 118.25 1pma s TYR 124 Ca 0.15 0.08 -0.27 0.00 -1.41 0.00 0.00 57.07 55.61 1pma s TYR 124 Cb 0.18 0.50 0.10 0.00 -1.10 0.00 0.00 41.96 41.64 1pma s TYR 124 CO 0.68 -0.06 0.90 0.00 -2.51 0.00 0.00 175.55 174.56 1pma s ALA 125 N -1.37 -1.89 0.29 9.51 0.00 -0.33 -4.99 121.76 122.98 1pma s ALA 125 Ca 0.09 1.73 0.10 0.00 0.00 0.00 0.00 51.96 53.88 1pma s ALA 125 Cb -0.01 -0.94 -0.05 0.00 0.00 0.00 0.00 23.12 22.12 1pma s ALA 125 CO -0.06 -0.30 -0.00 0.45 0.00 0.00 0.00 175.76 175.85 1pma s SER 126 N -0.34 4.41 0.00 0.00 0.15 -1.26 -0.89 113.70 115.78 1pma s SER 126 Ca -0.01 -0.76 -0.09 0.00 0.70 0.00 0.00 55.95 55.79 1pma s SER 126 Cb -0.03 -0.73 0.01 0.00 -1.71 0.00 0.00 66.02 63.56 1pma s SER 126 CO 0.00 -0.07 0.17 0.28 1.20 0.00 0.00 173.24 174.82 1pma s THR 127 N -2.39 0.08 0.00 6.45 -1.32 -0.40 -4.94 115.64 113.12 1pma s THR 127 Ca 0.33 -0.68 0.00 0.00 -1.21 0.00 0.00 61.69 60.13 1pma s THR 127 Cb -0.05 -0.52 0.00 0.00 -1.51 0.00 0.00 72.50 70.43 1pma s THR 127 CO 0.20 -0.37 0.00 0.61 -2.21 0.00 0.00 174.62 172.84 1pma n GLY 128 N 1.33 1.37 0.44 6.08 0.00 -1.26 -1.02 105.19 112.14 1pma n GLY 128 Ca -0.22 -2.00 0.37 0.00 0.00 0.00 0.00 46.02 44.17 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 0.17 -1.34 1.61 2.88 0.02 0.27 113.62 117.23 1pma n SER 129 Ca 0.00 1.20 0.08 0.00 -1.33 0.00 0.00 58.87 58.82 1pma n SER 129 Cb 0.00 -0.59 0.32 0.00 -0.75 0.00 0.00 64.21 63.18 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 -1.49 3.19 0.36 0.46 0.00 -1.15 -4.72 105.19 101.84 1pma n GLY 130 Ca 0.36 -0.87 -0.08 0.00 0.00 0.00 0.00 46.02 45.43 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 3.15 -1.25 -0.49 1.61 0.02 -0.41 -2.96 113.55 113.21 1pma h SER 131 Ca 0.00 0.21 0.05 0.00 -0.84 0.00 0.00 61.79 61.21 1pma h SER 131 Cb 1.49 0.57 -0.08 0.00 0.14 0.00 0.00 62.40 64.52 1pma h SER 131 CO 0.26 -0.34 -0.47 -0.65 -1.14 0.00 0.00 176.83 174.49 1pma h PRO 132 N -0.27 -0.22 -0.95 3.45 0.11 -1.84 0.19 132.00 132.47 1pma h PRO 132 Ca 0.17 0.01 0.23 0.00 0.11 0.00 0.00 66.00 66.52 1pma h PRO 132 Cb 0.56 0.05 -0.12 0.00 0.11 0.00 0.00 31.00 31.60 1pma h PRO 132 CO -0.58 -0.15 0.50 0.74 -0.21 0.00 0.00 178.00 178.30 1pma h PHE 133 N -0.23 0.84 -0.11 0.65 0.04 -1.90 0.23 116.94 116.47 1pma h PHE 133 Ca 0.08 0.04 -0.19 0.00 2.80 0.00 0.00 57.97 60.70 1pma h PHE 133 Cb 0.45 -0.22 0.01 0.00 2.20 0.00 0.00 35.95 38.38 1pma h PHE 133 CO -0.80 0.02 -0.69 -0.24 -0.60 0.00 0.00 178.31 176.00 1pma h VAL 134 N 0.50 1.32 -0.51 -0.55 3.04 -1.02 -2.83 116.25 116.19 1pma h VAL 134 Ca 0.60 -1.94 0.15 0.00 -1.01 0.00 0.00 66.70 64.50 1pma h VAL 134 Cb 1.13 2.13 -0.02 0.00 -2.01 0.00 0.00 31.29 32.52 1pma h VAL 134 CO -0.50 0.60 0.38 1.88 -1.01 0.00 0.00 177.57 178.93 1pma h TYR 135 N 0.34 0.00 0.17 3.17 0.05 0.23 0.22 116.97 121.15 1pma h TYR 135 Ca -0.05 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.72 1pma h TYR 135 Cb 1.33 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.07 1pma h TYR 135 CO 0.10 0.00 -0.08 0.78 -1.05 0.00 0.00 178.16 177.91 1pma h GLY 136 N 0.00 -0.24 0.83 3.88 0.00 -0.72 0.28 103.07 107.10 1pma h GLY 136 Ca 0.24 0.09 0.13 0.00 0.00 0.00 0.00 47.33 47.79 1pma h GLY 136 CO -0.00 -0.09 0.47 -0.39 0.00 0.00 0.00 176.54 176.53 1pma h VAL 137 N -0.35 0.84 0.17 4.60 -1.51 -1.20 0.28 116.25 119.07 1pma h VAL 137 Ca -0.02 -0.15 -0.01 0.00 -1.23 0.00 0.00 66.70 65.29 1pma h VAL 137 Cb 0.18 0.37 0.00 0.00 -2.13 0.00 0.00 31.29 29.71 1pma h VAL 137 CO 0.04 0.08 -0.08 0.25 -1.23 0.00 0.00 177.57 176.63 1pma h LEU 138 N 0.43 -0.19 -1.63 4.19 5.85 -0.62 0.28 115.31 123.62 1pma h LEU 138 Ca 0.34 -0.25 0.13 0.00 0.84 0.00 0.00 57.88 58.94 1pma h LEU 138 Cb 0.71 0.05 -0.04 0.00 0.37 0.00 0.00 40.66 41.75 1pma h LEU 138 CO -0.10 0.17 0.46 -0.08 -0.34 0.00 0.00 178.44 178.54 1pma h GLU 139 N -0.57 0.37 -0.03 1.25 4.57 0.72 0.18 114.58 121.07 1pma h GLU 139 Ca -0.02 -0.02 -0.08 0.00 -1.18 0.00 0.00 59.36 58.05 1pma h GLU 139 Cb 0.43 -0.08 0.00 0.00 -0.16 0.00 0.00 28.75 28.94 1pma h GLU 139 CO 0.04 0.25 -0.29 1.03 -1.18 0.00 0.00 179.01 178.85 1pma h SER 140 N 0.39 0.31 -0.00 1.04 0.87 0.10 -3.40 113.55 112.85 1pma h SER 140 Ca 0.33 -0.70 0.00 0.00 -1.23 0.00 0.00 61.79 60.19 1pma h SER 140 Cb 0.76 -0.09 0.00 0.00 -0.44 0.00 0.00 62.40 62.62 1pma h SER 140 CO -0.10 0.97 -0.04 0.00 -0.53 0.00 0.00 176.83 177.13 1pma n GLN 141 N -4.47 1.34 -2.44 2.24 6.02 0.92 -5.04 117.38 115.95 1pma n GLN 141 Ca -0.09 -0.51 -0.41 0.00 -0.01 0.00 0.00 57.00 55.98 1pma n GLN 141 Cb 0.50 -0.95 -0.04 0.00 1.02 0.00 0.00 30.24 30.78 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 -0.58 3.51 -0.03 1.08 5.04 0.58 -5.02 117.35 121.92 1pma s TYR 142 Ca 0.03 1.51 -0.01 0.00 -2.44 0.00 0.00 57.07 56.17 1pma s TYR 142 Cb 0.03 -3.35 0.03 0.00 0.35 0.00 0.00 41.96 39.02 1pma s TYR 142 CO 0.07 -0.90 0.04 0.45 -1.34 0.00 0.00 175.55 173.87 1pma s SER 143 N 0.01 0.58 0.45 4.32 0.15 -1.26 -4.97 113.70 112.98 1pma s SER 143 Ca 0.51 0.06 0.28 0.00 0.70 0.00 0.00 55.95 57.50 1pma s SER 143 Cb -0.31 -0.11 1.53 0.00 -1.71 0.00 0.00 66.02 65.43 1pma s SER 143 CO 0.36 -0.19 1.85 1.05 1.20 0.00 0.00 173.24 177.51 1pma h GLU 144 N 7.84 0.00 -0.72 5.44 -0.00 -1.95 -0.42 114.58 124.77 1pma h GLU 144 Ca -0.30 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.06 1pma h GLU 144 Cb 1.12 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.87 1pma h GLU 144 CO 0.32 0.00 0.00 1.63 -0.00 0.00 0.00 179.01 180.96 1pma n LYS 145 N -2.53 2.27 -2.17 1.06 5.02 -1.26 -4.08 118.16 116.47 1pma n LYS 145 Ca -0.02 -1.13 -0.32 0.00 -2.02 0.00 0.00 58.31 54.83 1pma n LYS 145 Cb 0.11 -1.66 -0.01 0.00 -0.02 0.00 0.00 35.03 33.45 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 -1.65 3.79 0.35 1.97 -1.94 -0.17 -5.07 119.30 116.59 1pma s MET 146 Ca 0.20 0.86 -0.03 0.00 -1.71 0.00 0.00 55.69 55.00 1pma s MET 146 Cb 0.14 -2.11 -0.04 0.00 2.01 0.00 0.00 34.83 34.82 1pma s MET 146 CO 0.07 -0.40 0.61 0.95 -0.01 0.00 0.00 175.02 176.24 1pma s THR 147 N -2.87 5.02 0.57 2.05 -4.23 -1.26 -4.71 115.64 110.20 1pma s THR 147 Ca 0.57 -0.06 0.28 0.00 -1.18 0.00 0.00 61.69 61.30 1pma s THR 147 Cb -0.10 -3.80 0.39 0.00 1.34 0.00 0.00 72.50 70.32 1pma s THR 147 CO 0.41 -0.51 1.97 1.62 -0.54 0.00 0.00 174.62 177.57 1pma h VAL 148 N 0.92 0.53 0.18 2.29 3.04 -1.97 -0.38 116.25 120.85 1pma h VAL 148 Ca -0.48 0.00 -0.27 0.00 -1.01 0.00 0.00 66.70 64.94 1pma h VAL 148 Cb 1.20 0.70 0.02 0.00 -2.01 0.00 0.00 31.29 31.20 1pma h VAL 148 CO 0.64 0.00 -1.22 -0.78 -1.01 0.00 0.00 177.57 175.19 1pma h ASP 149 N 0.00 0.59 -0.93 3.17 1.82 -2.00 -2.84 116.42 116.23 1pma h ASP 149 Ca 0.21 -0.92 0.03 0.00 -0.39 0.00 0.00 57.03 55.96 1pma h ASP 149 Cb 1.01 -0.19 -0.05 0.00 0.68 0.00 0.00 39.33 40.78 1pma h ASP 149 CO -0.00 1.57 0.60 -0.33 -1.61 0.00 0.00 179.24 179.48 1pma h GLU 150 N -0.15 1.14 0.61 0.28 5.08 -1.59 -2.78 114.58 117.17 1pma h GLU 150 Ca -0.23 -0.07 -0.02 0.00 -1.00 0.00 0.00 59.36 58.04 1pma h GLU 150 Cb 1.87 -0.26 -0.02 0.00 0.50 0.00 0.00 28.75 30.85 1pma h GLU 150 CO 0.18 0.76 -0.51 0.78 -1.00 0.00 0.00 179.01 179.22 1pma h GLY 151 N 1.18 -1.30 -0.10 -3.84 0.00 -1.18 0.05 103.07 97.88 1pma h GLY 151 Ca 0.37 0.58 0.29 0.00 0.00 0.00 0.00 47.33 48.57 1pma h GLY 151 CO -0.12 -0.40 0.73 -0.24 0.00 0.00 0.00 176.54 176.51 1pma h VAL 152 N -1.09 0.50 0.28 4.60 3.04 -1.31 0.29 116.25 122.56 1pma h VAL 152 Ca -0.08 -0.04 -0.01 0.00 -1.01 0.00 0.00 66.70 65.55 1pma h VAL 152 Cb 0.92 0.36 0.00 0.00 -2.01 0.00 0.00 31.29 30.56 1pma h VAL 152 CO -0.01 0.02 -0.14 0.44 -1.01 0.00 0.00 177.57 176.88 1pma h ASP 153 N 0.13 -0.32 -0.89 3.17 3.32 -1.14 -2.66 116.42 118.02 1pma h ASP 153 Ca 0.52 -0.17 0.14 0.00 0.02 0.00 0.00 57.03 57.54 1pma h ASP 153 Cb 1.84 0.08 -0.15 0.00 0.22 0.00 0.00 39.33 41.32 1pma h ASP 153 CO -0.09 0.16 -0.37 0.25 -1.72 0.00 0.00 179.24 177.47 1pma h LEU 154 N -0.98 -1.34 -0.48 1.55 5.85 0.14 0.13 115.31 120.19 1pma h LEU 154 Ca -0.04 0.29 0.04 0.00 0.84 0.00 0.00 57.88 59.01 1pma h LEU 154 Cb 0.48 0.70 -0.04 0.00 0.37 0.00 0.00 40.66 42.17 1pma h LEU 154 CO 0.06 -0.29 0.23 0.58 -0.34 0.00 0.00 178.44 178.68 1pma h VAL 155 N -0.04 0.95 -0.68 1.05 2.07 -1.01 0.36 116.25 118.95 1pma h VAL 155 Ca 0.32 -0.16 0.02 0.00 0.82 0.00 0.00 66.70 67.70 1pma h VAL 155 Cb 0.59 0.45 -0.04 0.00 -1.52 0.00 0.00 31.29 30.77 1pma h VAL 155 CO -0.91 0.08 0.44 0.40 0.02 0.00 0.00 177.57 177.60 1pma h ILE 156 N 0.46 1.14 0.05 4.57 2.04 -0.44 -0.37 117.51 124.96 1pma h ILE 156 Ca 0.21 -0.30 -0.00 0.00 1.00 0.00 0.00 64.86 65.77 1pma h ILE 156 Cb 0.13 0.18 0.00 0.00 -0.74 0.00 0.00 36.82 36.39 1pma h ILE 156 CO -0.16 0.16 -0.03 0.03 0.00 0.00 0.00 178.15 178.16 1pma h ARG 157 N 0.88 -0.07 0.10 2.37 3.08 -0.49 -0.32 114.38 119.94 1pma h ARG 157 Ca 0.26 0.00 0.02 0.00 0.07 0.00 0.00 59.98 60.34 1pma h ARG 157 Cb -0.05 0.02 -0.04 0.00 0.08 0.00 0.00 29.97 29.97 1pma h ARG 157 CO -0.08 0.10 -0.35 0.00 -1.07 0.00 0.00 179.97 178.57 1pma h ALA 158 N 0.72 -0.59 -0.85 0.04 0.00 -0.69 -0.64 119.26 117.24 1pma h ALA 158 Ca -0.01 -0.05 0.06 0.00 0.00 0.00 0.00 54.91 54.91 1pma h ALA 158 Cb 0.19 0.58 -0.06 0.00 0.00 0.00 0.00 17.79 18.51 1pma h ALA 158 CO 0.01 -0.89 0.53 0.82 0.00 0.00 0.00 179.25 179.72 1pma h ILE 159 N -0.57 1.04 -0.51 0.00 2.04 -1.01 -1.95 117.51 116.57 1pma h ILE 159 Ca 0.03 -0.33 0.07 0.00 1.00 0.00 0.00 64.86 65.63 1pma h ILE 159 Cb 0.61 -0.01 -0.06 0.00 -0.74 0.00 0.00 36.82 36.62 1pma h ILE 159 CO -0.22 0.18 0.20 0.28 0.00 0.00 0.00 178.15 178.59 1pma h SER 160 N 0.97 0.22 0.02 1.72 0.02 -0.28 -0.40 113.55 115.82 1pma h SER 160 Ca 0.37 0.06 0.03 0.00 -0.84 0.00 0.00 61.79 61.41 1pma h SER 160 Cb 0.17 0.03 -0.05 0.00 0.14 0.00 0.00 62.40 62.69 1pma h SER 160 CO -0.17 0.15 -0.33 0.00 -1.14 0.00 0.00 176.83 175.34 1pma h ALA 161 N 1.33 -0.51 -1.00 3.77 0.00 -0.38 -0.39 119.26 122.08 1pma h ALA 161 Ca 0.24 -0.03 0.09 0.00 0.00 0.00 0.00 54.91 55.21 1pma h ALA 161 Cb 0.24 0.58 -0.07 0.00 0.00 0.00 0.00 17.79 18.54 1pma h ALA 161 CO -0.23 -0.86 0.64 0.00 0.00 0.00 0.00 179.25 178.80 1pma h ALA 162 N 0.19 1.43 -0.24 0.00 0.00 -1.01 0.57 119.26 120.20 1pma h ALA 162 Ca 0.05 -0.00 0.07 0.00 0.00 0.00 0.00 54.91 55.03 1pma h ALA 162 Cb 0.58 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 1pma h ALA 162 CO -0.26 0.34 0.19 0.87 0.00 0.00 0.00 179.25 180.40 1pma h LYS 163 N 1.09 0.00 -0.05 0.00 1.57 0.55 0.17 116.57 119.90 1pma h LYS 163 Ca 0.46 0.00 -0.14 0.00 -1.87 0.00 0.00 60.65 59.10 1pma h LYS 163 Cb 0.30 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.62 1pma h LYS 163 CO -0.21 0.00 -0.51 1.96 -0.57 0.00 0.00 179.45 180.12 1pma h GLN 164 N 0.00 0.43 -0.33 3.15 1.08 0.11 -3.35 115.11 116.21 1pma h GLN 164 Ca 0.11 -0.40 0.00 0.00 -1.45 0.00 0.00 58.65 56.92 1pma h GLN 164 Cb 0.50 0.10 0.00 0.00 -0.05 0.00 0.00 27.48 28.03 1pma h GLN 164 CO -0.00 1.05 0.00 0.54 -0.95 0.00 0.00 178.83 179.46 1pma n ARG 165 N -4.27 2.25 -3.63 1.46 3.00 -0.32 -4.84 116.66 110.32 1pma n ARG 165 Ca -0.09 -1.89 -0.27 0.00 -0.01 0.00 0.00 57.85 55.59 1pma n ARG 165 Cb 0.61 -1.47 -0.17 0.00 0.00 0.00 0.00 32.46 31.43 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 -1.48 2.53 0.13 0.55 2.15 0.45 -5.00 116.67 116.01 1pma s ASP 166 Ca 0.36 -0.70 0.13 0.00 0.43 0.00 0.00 52.55 52.77 1pma s ASP 166 Cb 0.21 -0.31 0.62 0.00 -0.30 0.00 0.00 42.92 43.13 1pma s ASP 166 CO 0.29 -0.35 1.40 -1.54 -0.17 0.00 0.00 175.17 174.80 1pma n SER 167 N 5.24 0.27 0.08 -0.34 3.41 -1.26 -1.34 113.62 119.67 1pma n SER 167 Ca -0.07 0.60 0.12 0.00 -0.26 0.00 0.00 58.87 59.26 1pma n SER 167 Cb 0.48 -0.64 0.27 0.00 -0.26 0.00 0.00 64.21 64.06 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 -1.62 2.67 -2.73 7.33 0.00 -1.26 -4.84 120.51 120.05 1pma n ALA 168 Ca 0.01 -0.16 -0.28 0.00 0.00 0.00 0.00 53.44 53.01 1pma n ALA 168 Cb 0.08 -1.30 -0.07 0.00 0.00 0.00 0.00 19.45 18.17 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 -4.32 5.20 0.00 0.00 0.01 -0.45 0.13 113.70 114.27 1pma s SER 169 Ca 0.08 -0.18 0.00 0.00 1.31 0.00 0.00 55.95 57.16 1pma s SER 169 Cb 0.13 -1.28 0.00 0.00 0.21 0.00 0.00 66.02 65.08 1pma s SER 169 CO 0.67 0.13 0.00 0.61 0.41 0.00 0.00 173.24 175.06 1pma n GLY 170 N 0.16 -0.94 1.21 3.44 0.00 -1.26 -4.85 105.19 102.95 1pma n GLY 170 Ca -0.09 -1.11 0.00 0.00 0.00 0.00 0.00 46.02 44.81 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 -0.35 -2.61 3.70 -0.02 0.00 -1.26 -1.79 105.19 102.85 1pma n GLY 171 Ca 0.00 -1.66 -0.42 0.00 0.00 0.00 0.00 46.02 43.94 1pma n GLY 171 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1pma s MET 172 N -0.77 4.22 0.18 1.61 -2.45 -1.26 -4.61 119.30 116.21 1pma s MET 172 Ca 0.00 2.28 -0.27 0.00 -1.25 0.00 0.00 55.69 56.45 1pma s MET 172 Cb 0.00 -3.50 -0.08 0.00 1.25 0.00 0.00 34.83 32.50 1pma s MET 172 CO 0.00 -0.68 0.85 -1.50 1.05 0.00 0.00 175.02 174.74 1pma s ILE 173 N 2.26 4.28 0.00 10.11 -1.16 -1.26 -3.85 121.20 131.58 1pma s ILE 173 Ca 0.71 1.87 0.01 0.00 -0.51 0.00 0.00 60.65 62.73 1pma s ILE 173 Cb -0.39 -4.22 -0.01 0.00 0.61 0.00 0.00 42.46 38.45 1pma s ILE 173 CO 0.31 0.49 -0.04 1.51 -2.81 0.00 0.00 174.94 174.40 1pma s ASP 174 N -1.04 0.50 0.17 4.50 1.47 -0.29 -4.90 116.67 117.08 1pma s ASP 174 Ca 0.38 -0.13 0.09 0.00 1.18 0.00 0.00 52.55 54.08 1pma s ASP 174 Cb -0.24 -0.04 -0.04 0.00 -0.34 0.00 0.00 42.92 42.26 1pma s ASP 174 CO 0.28 0.01 -0.20 0.54 0.68 0.00 0.00 175.17 176.49 1pma s VAL 175 N -0.26 1.96 -0.02 2.11 0.11 -1.26 -1.66 120.40 121.38 1pma s VAL 175 Ca -0.00 -1.94 0.01 0.00 -2.93 0.00 0.00 61.98 57.12 1pma s VAL 175 Cb -0.03 -1.91 0.02 0.00 -1.53 0.00 0.00 36.38 32.93 1pma s VAL 175 CO -0.00 -0.25 -0.02 0.00 -3.33 0.00 0.00 175.10 171.50 1pma s ALA 176 N -1.92 0.36 -0.03 1.54 0.00 0.50 -1.66 121.76 120.55 1pma s ALA 176 Ca 0.17 0.03 0.05 0.00 0.00 0.00 0.00 51.96 52.21 1pma s ALA 176 Cb -0.06 -0.25 -0.02 0.00 0.00 0.00 0.00 23.12 22.78 1pma s ALA 176 CO 0.07 -0.01 -0.19 0.54 0.00 0.00 0.00 175.76 176.18 1pma s VAL 177 N 0.62 2.69 -0.09 0.00 0.11 0.20 -1.11 120.40 122.82 1pma s VAL 177 Ca -0.07 -0.89 0.02 0.00 -2.93 0.00 0.00 61.98 58.11 1pma s VAL 177 Cb -0.10 -2.03 0.02 0.00 -1.53 0.00 0.00 36.38 32.74 1pma s VAL 177 CO -0.01 0.57 -0.13 -0.51 -3.33 0.00 0.00 175.10 171.69 1pma s ILE 178 N -0.71 1.29 0.09 7.04 2.07 -0.07 -0.54 121.20 130.38 1pma s ILE 178 Ca 0.11 -0.52 0.04 0.00 -1.41 0.00 0.00 60.65 58.86 1pma s ILE 178 Cb -0.10 -1.20 -0.03 0.00 0.13 0.00 0.00 42.46 41.25 1pma s ILE 178 CO 0.00 0.40 -0.10 0.28 -1.91 0.00 0.00 174.94 173.61 1pma s THR 179 N 1.00 0.93 0.29 4.00 -1.32 -0.64 -1.91 115.64 117.98 1pma s THR 179 Ca -0.07 -1.59 -0.00 0.00 -1.21 0.00 0.00 61.69 58.81 1pma s THR 179 Cb -0.15 -1.30 0.16 0.00 -1.51 0.00 0.00 72.50 69.71 1pma s THR 179 CO -0.01 -0.53 1.85 -0.09 -2.21 0.00 0.00 174.62 173.63 1pma h ARG 180 N 3.66 0.79 0.81 7.08 9.65 -1.85 1.21 114.38 135.73 1pma h ARG 180 Ca -0.37 -0.15 -0.04 0.00 -1.10 0.00 0.00 59.98 58.32 1pma h ARG 180 Cb 1.19 -0.12 -0.00 0.00 -1.39 0.00 0.00 29.97 29.64 1pma h ARG 180 CO 0.51 0.71 -0.49 -0.22 2.80 0.00 0.00 179.97 183.28 1pma h LYS 181 N 0.77 -1.17 0.00 0.20 1.63 -1.96 -3.31 116.57 112.73 1pma h LYS 181 Ca 0.17 0.08 0.00 0.00 -0.85 0.00 0.00 60.65 60.05 1pma h LYS 181 Cb 0.27 0.27 0.00 0.00 -0.60 0.00 0.00 32.23 32.16 1pma h LYS 181 CO -0.00 -0.78 -1.28 -0.25 -3.45 0.00 0.00 179.45 173.69 1pma n ASP 182 N -5.63 0.72 0.00 4.20 8.00 -1.19 -5.09 116.55 117.56 1pma n ASP 182 Ca -0.15 -0.70 0.00 0.00 0.71 0.00 0.00 54.79 54.65 1pma n ASP 182 Cb 0.50 1.29 0.00 0.00 -0.02 0.00 0.00 41.12 42.90 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 1.43 -1.55 3.67 0.44 0.00 0.42 -4.79 105.19 104.81 1pma n GLY 183 Ca 0.02 -1.50 -0.43 0.00 0.00 0.00 0.00 46.02 44.11 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 3.40 -0.05 1.61 6.14 -1.18 -1.62 117.35 125.64 1pma s TYR 184 Ca 0.00 1.51 0.01 0.00 0.64 0.00 0.00 57.07 59.23 1pma s TYR 184 Cb 0.00 -3.24 0.02 0.00 0.42 0.00 0.00 41.96 39.16 1pma s TYR 184 CO 0.00 -0.41 -0.04 0.54 0.64 0.00 0.00 175.55 176.28 1pma s VAL 185 N 2.69 0.58 -0.29 3.14 0.11 0.30 -4.99 120.40 121.95 1pma s VAL 185 Ca 0.46 -0.11 -0.15 0.00 -2.93 0.00 0.00 61.98 59.25 1pma s VAL 185 Cb -0.17 -0.62 -0.03 0.00 -1.53 0.00 0.00 36.38 34.03 1pma s VAL 185 CO 0.11 0.25 0.38 -1.58 -3.33 0.00 0.00 175.10 170.94 1pma s GLN 186 N 1.13 3.93 0.39 1.54 0.74 -1.26 -0.63 119.66 125.50 1pma s GLN 186 Ca -0.08 -0.04 -0.26 0.00 0.05 0.00 0.00 55.36 55.04 1pma s GLN 186 Cb -0.14 -3.69 -0.11 0.00 1.10 0.00 0.00 33.01 30.17 1pma s GLN 186 CO -0.01 -0.34 1.18 1.28 -0.55 0.00 0.00 175.29 176.85 1pma n LEU 187 N 5.37 3.32 -4.74 3.68 4.32 -0.66 -4.91 117.00 123.38 1pma n LEU 187 Ca -0.08 1.12 -0.41 0.00 -0.02 0.00 0.00 56.01 56.61 1pma n LEU 187 Cb 0.50 -1.44 -0.03 0.00 -1.62 0.00 0.00 43.42 40.84 1pma n LEU 187 CO 0.38 -0.91 1.08 -2.84 -1.22 0.00 0.00 177.39 173.88 1pma s PRO 188 N -2.02 4.30 0.26 3.23 0.02 -1.26 -4.82 135.00 134.72 1pma s PRO 188 Ca 0.60 2.22 -0.05 0.00 0.02 0.00 0.00 61.00 63.79 1pma s PRO 188 Cb -0.55 -3.15 0.51 0.00 0.02 0.00 0.00 34.50 31.32 1pma s PRO 188 CO 0.59 -0.40 1.62 0.00 -0.33 0.00 0.00 177.00 178.48 1pma h THR 189 N 3.73 0.25 -0.38 0.99 1.03 -1.98 -1.43 112.91 115.11 1pma h THR 189 Ca -0.45 -0.03 0.01 0.00 -0.01 0.00 0.00 66.41 65.94 1pma h THR 189 Cb 1.21 0.16 -0.02 0.00 -1.07 0.00 0.00 68.15 68.44 1pma h THR 189 CO 0.80 0.01 0.24 -2.24 -0.01 0.00 0.00 175.52 174.32 1pma h ASP 190 N 0.08 0.39 -0.90 0.00 2.03 -1.99 -2.28 116.42 113.75 1pma h ASP 190 Ca 0.46 -0.00 0.10 0.00 -0.73 0.00 0.00 57.03 56.86 1pma h ASP 190 Cb 0.84 -0.09 -0.07 0.00 -0.83 0.00 0.00 39.33 39.18 1pma h ASP 190 CO -0.75 0.29 0.58 -0.61 -1.03 0.00 0.00 179.24 177.72 1pma h GLN 191 N 0.48 0.85 0.67 4.15 4.15 -1.65 0.32 115.11 124.07 1pma h GLN 191 Ca 0.14 -0.05 -0.03 0.00 0.77 0.00 0.00 58.65 59.48 1pma h GLN 191 Cb -0.03 -0.19 0.01 0.00 0.21 0.00 0.00 27.48 27.48 1pma h GLN 191 CO -0.05 0.56 -0.32 0.82 -1.93 0.00 0.00 178.83 177.91 1pma h ILE 192 N 0.87 0.00 -0.41 2.39 2.04 -1.32 -1.11 117.51 119.98 1pma h ILE 192 Ca 0.42 -0.24 0.12 0.00 1.00 0.00 0.00 64.86 66.16 1pma h ILE 192 Cb 0.45 0.00 -0.02 0.00 -0.74 0.00 0.00 36.82 36.51 1pma h ILE 192 CO -0.19 0.00 0.30 1.05 0.00 0.00 0.00 178.15 179.31 1pma h GLU 193 N -1.14 0.00 0.57 2.37 4.11 -0.98 0.25 114.58 119.76 1pma h GLU 193 Ca -0.09 0.00 -0.03 0.00 0.07 0.00 0.00 59.36 59.31 1pma h GLU 193 Cb 0.69 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.94 1pma h GLU 193 CO 0.15 0.00 -0.27 1.03 0.07 0.00 0.00 179.01 179.99 1pma h SER 194 N 0.00 -0.65 -0.99 3.06 0.87 -0.20 -1.25 113.55 114.39 1pma h SER 194 Ca 0.19 -0.01 0.16 0.00 -1.23 0.00 0.00 61.79 60.90 1pma h SER 194 Cb 0.80 0.17 -0.10 0.00 -0.44 0.00 0.00 62.40 62.83 1pma h SER 194 CO -0.00 -0.40 0.60 0.03 -0.53 0.00 0.00 176.83 176.53 1pma h ARG 195 N -0.86 0.81 0.19 2.24 3.08 0.71 -0.05 114.38 120.50 1pma h ARG 195 Ca -0.08 -0.05 0.01 0.00 0.07 0.00 0.00 59.98 59.93 1pma h ARG 195 Cb 0.62 -0.18 -0.04 0.00 0.08 0.00 0.00 29.97 30.45 1pma h ARG 195 CO 0.13 0.54 -0.49 0.82 -1.07 0.00 0.00 179.97 179.89 1pma h ILE 196 N 0.83 0.05 -0.24 2.04 2.04 -0.56 0.25 117.51 121.92 1pma h ILE 196 Ca 0.54 0.00 0.06 0.00 1.00 0.00 0.00 64.86 66.46 1pma h ILE 196 Cb 0.72 0.05 -0.07 0.00 -0.74 0.00 0.00 36.82 36.79 1pma h ILE 196 CO -0.34 0.00 -0.23 -0.09 0.00 0.00 0.00 178.15 177.49 1pma h ARG 197 N -0.77 -0.23 -0.92 2.37 2.43 0.07 -1.44 114.38 115.90 1pma h ARG 197 Ca -0.01 0.02 0.05 0.00 -0.81 0.00 0.00 59.98 59.23 1pma h ARG 197 Cb 0.76 0.05 -0.06 0.00 -0.42 0.00 0.00 29.97 30.30 1pma h ARG 197 CO -0.24 -0.15 0.59 -0.22 -1.51 0.00 0.00 179.97 178.44 1pma h LYS 198 N -0.24 1.07 0.00 0.20 3.64 -0.69 -0.68 116.57 119.87 1pma h LYS 198 Ca 0.14 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.45 1pma h LYS 198 Cb 0.45 -0.24 0.00 0.00 -0.41 0.00 0.00 32.23 32.03 1pma h LYS 198 CO -0.38 0.71 0.00 1.28 -2.27 0.00 0.00 179.45 178.78 1pma n LEU 199 N -4.54 0.00 -0.63 5.20 4.77 0.86 -4.86 117.00 117.78 1pma n LEU 199 Ca 0.13 0.31 -0.08 0.00 -0.03 0.00 0.00 56.01 56.34 1pma n LEU 199 Cb 0.14 -0.31 -0.03 0.00 -2.33 0.00 0.00 43.42 40.89 1pma n LEU 199 CO 0.33 -0.11 -0.08 0.61 -1.33 0.00 0.00 177.39 176.81 1pma n GLY 200 N 0.38 0.98 0.00 -0.72 0.00 -0.26 -5.02 105.19 100.55 1pma n GLY 200 Ca 0.09 -0.67 0.00 0.00 0.00 0.00 0.00 46.02 45.44 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 -0.93 0.00 -3.92 0.99 4.32 -0.90 -5.03 117.00 111.53 1pma n LEU 201 Ca -0.08 0.00 -0.10 0.00 -0.02 0.00 0.00 56.01 55.81 1pma n LEU 201 Cb 0.28 0.00 -0.11 0.00 -1.62 0.00 0.00 43.42 41.97 1pma n LEU 201 CO 0.12 -0.40 -0.26 -0.51 -1.22 0.00 0.00 177.39 175.12 1pma s ILE 202 N -0.33 0.09 0.00 -0.08 2.07 -1.26 -4.70 121.20 116.98 1pma s ILE 202 Ca 0.00 -0.71 0.00 0.00 -1.41 0.00 0.00 60.65 58.53 1pma s ILE 202 Cb 0.00 -0.32 0.00 0.00 0.13 0.00 0.00 42.46 42.27 1pma s ILE 202 CO 0.00 -0.39 0.00 -0.11 -1.91 0.00 0.00 174.94 172.53