#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 -0.02 0.18 1.09 -1.32 -1.26 0.76 115.64 115.07 1pma s THR 2 Ca 0.00 0.08 0.04 0.00 -1.21 0.00 0.00 61.69 60.60 1pma s THR 2 Cb 0.00 -0.33 -0.05 0.00 -1.51 0.00 0.00 72.50 70.61 1pma s THR 2 CO 0.00 0.03 -0.07 0.42 -2.21 0.00 0.00 174.62 172.80 1pma s THR 3 N 0.71 1.12 -0.26 5.08 -4.23 0.31 -2.29 115.64 116.08 1pma s THR 3 Ca -0.05 -2.05 -0.18 0.00 -1.18 0.00 0.00 61.69 58.23 1pma s THR 3 Cb -0.06 -2.02 0.07 0.00 1.34 0.00 0.00 72.50 71.83 1pma s THR 3 CO -0.04 -0.60 0.66 0.54 -0.54 0.00 0.00 174.62 174.64 1pma s VAL 4 N -3.36 -0.00 -0.10 2.29 0.11 -0.17 -1.29 120.40 117.89 1pma s VAL 4 Ca 0.21 0.01 0.03 0.00 -2.93 0.00 0.00 61.98 59.30 1pma s VAL 4 Cb 0.04 -0.94 -0.01 0.00 -1.53 0.00 0.00 36.38 33.94 1pma s VAL 4 CO 0.03 0.00 -0.20 -0.83 -3.33 0.00 0.00 175.10 170.77 1pma s GLY 5 N 1.14 1.40 -0.04 6.54 0.00 -0.42 -1.97 107.32 113.97 1pma s GLY 5 Ca -0.06 -0.96 0.01 0.00 0.00 0.00 0.00 44.72 43.71 1pma s GLY 5 CO -0.12 -0.38 -0.05 -1.50 0.00 0.00 0.00 173.10 171.06 1pma s ILE 6 N 0.17 0.56 0.03 0.90 2.07 -0.49 -1.02 121.20 123.43 1pma s ILE 6 Ca -0.11 -0.14 -0.11 0.00 -1.41 0.00 0.00 60.65 58.88 1pma s ILE 6 Cb -0.16 -0.58 -0.05 0.00 0.13 0.00 0.00 42.46 41.79 1pma s ILE 6 CO 0.06 0.23 0.37 -0.89 -1.91 0.00 0.00 174.94 172.80 1pma s THR 7 N 0.89 5.13 -0.25 4.00 2.01 0.22 -1.67 115.64 125.96 1pma s THR 7 Ca -0.12 0.52 -0.26 0.00 0.31 0.00 0.00 61.69 62.15 1pma s THR 7 Cb -0.14 -3.64 0.09 0.00 0.01 0.00 0.00 72.50 68.81 1pma s THR 7 CO 0.00 0.41 0.82 -1.48 -0.69 0.00 0.00 174.62 173.69 1pma s LEU 8 N -1.57 -0.64 0.00 4.42 0.05 -1.01 -4.87 118.68 115.06 1pma s LEU 8 Ca 0.28 1.18 0.00 0.00 0.05 0.00 0.00 54.13 55.64 1pma s LEU 8 Cb -0.15 2.28 0.00 0.00 -2.05 0.00 0.00 46.19 46.27 1pma s LEU 8 CO 0.15 -0.25 0.00 1.17 -0.55 0.00 0.00 176.35 176.87 1pma n LYS 9 N 2.33 0.00 -2.60 1.48 3.00 -1.26 -0.24 118.16 120.86 1pma n LYS 9 Ca -0.14 0.00 -0.12 0.00 -0.00 0.00 0.00 58.31 58.05 1pma n LYS 9 Cb 0.56 0.00 0.03 0.00 0.00 0.00 0.00 35.03 35.61 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 0.33 2.46 -3.74 3.14 8.00 -1.26 -4.83 116.55 120.65 1pma n ASP 10 Ca 0.00 -2.88 -0.04 0.00 0.71 0.00 0.00 54.79 52.58 1pma n ASP 10 Cb 0.00 -0.49 -0.01 0.00 -0.02 0.00 0.00 41.12 40.60 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 -3.38 -1.55 -0.05 2.24 0.00 0.66 -4.48 121.76 115.19 1pma s ALA 11 Ca 0.33 0.00 -0.03 0.00 0.00 0.00 0.00 51.96 52.26 1pma s ALA 11 Cb 0.42 0.68 0.02 0.00 0.00 0.00 0.00 23.12 24.24 1pma s ALA 11 CO -0.03 -1.04 0.12 0.54 0.00 0.00 0.00 175.76 175.35 1pma s VAL 12 N -3.33 -0.02 -0.05 0.00 0.11 -0.90 -2.40 120.40 113.82 1pma s VAL 12 Ca 0.13 0.07 0.07 0.00 -2.93 0.00 0.00 61.98 59.31 1pma s VAL 12 Cb -0.02 -0.19 -0.01 0.00 -1.53 0.00 0.00 36.38 34.62 1pma s VAL 12 CO 0.04 0.03 -0.25 -0.63 -3.33 0.00 0.00 175.10 170.96 1pma s ILE 13 N 0.48 2.02 -0.02 7.04 1.01 -0.67 -0.85 121.20 130.21 1pma s ILE 13 Ca -0.03 -1.06 0.03 0.00 0.00 0.00 0.00 60.65 59.58 1pma s ILE 13 Cb -0.05 -1.70 -0.00 0.00 0.01 0.00 0.00 42.46 40.72 1pma s ILE 13 CO -0.02 0.56 -0.09 -0.04 0.00 0.00 0.00 174.94 175.35 1pma s MET 14 N -0.28 0.83 0.03 2.79 -1.94 0.22 -1.39 119.30 119.56 1pma s MET 14 Ca 0.00 -0.32 -0.13 0.00 -1.71 0.00 0.00 55.69 53.54 1pma s MET 14 Cb -0.13 -0.80 0.02 0.00 2.01 0.00 0.00 34.83 35.94 1pma s MET 14 CO 0.02 0.16 0.28 0.00 -0.01 0.00 0.00 175.02 175.47 1pma s ALA 15 N -0.03 -0.63 0.15 3.03 0.00 -0.83 -0.34 121.76 123.11 1pma s ALA 15 Ca 0.01 -0.01 -0.13 0.00 0.00 0.00 0.00 51.96 51.83 1pma s ALA 15 Cb -0.06 0.27 0.01 0.00 0.00 0.00 0.00 23.12 23.35 1pma s ALA 15 CO -0.00 -0.38 0.37 0.95 0.00 0.00 0.00 175.76 176.70 1pma s THR 16 N -2.36 0.07 0.00 0.00 -4.23 -0.30 -1.00 115.64 107.82 1pma s THR 16 Ca -0.06 -0.99 0.00 0.00 -1.18 0.00 0.00 61.69 59.46 1pma s THR 16 Cb -0.02 -1.54 0.00 0.00 1.34 0.00 0.00 72.50 72.29 1pma s THR 16 CO -0.02 -0.30 0.00 -1.84 -0.54 0.00 0.00 174.62 171.92 1pma n GLU 17 N -0.23 1.82 -2.36 3.99 -0.00 -0.97 -0.49 120.64 122.39 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 0.07 0.00 -0.00 0.00 0.00 31.44 32.14 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 -0.45 1.14 -3.37 3.44 1.85 -0.94 -4.61 116.66 113.72 1pma n ARG 18 Ca 0.00 -1.90 -0.37 0.00 -1.00 0.00 0.00 57.85 54.58 1pma n ARG 18 Cb 0.00 -0.17 -0.06 0.00 -1.05 0.00 0.00 32.46 31.18 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 -1.01 4.32 -0.18 2.89 3.52 -0.68 -0.71 118.95 127.10 1pma s ARG 19 Ca 0.15 0.35 -0.02 0.00 -0.13 0.00 0.00 55.73 56.08 1pma s ARG 19 Cb 0.34 -3.43 -0.01 0.00 -1.56 0.00 0.00 34.95 30.28 1pma s ARG 19 CO -0.09 0.18 -0.08 0.54 -0.81 0.00 0.00 175.30 175.04 1pma s VAL 20 N 0.59 3.29 0.19 7.11 0.11 0.40 -4.63 120.40 127.46 1pma s VAL 20 Ca 0.23 -0.55 0.05 0.00 -2.93 0.00 0.00 61.98 58.79 1pma s VAL 20 Cb -0.14 -2.45 -0.05 0.00 -1.53 0.00 0.00 36.38 32.21 1pma s VAL 20 CO 0.08 0.47 -0.08 0.28 -3.33 0.00 0.00 175.10 172.53 1pma s THR 21 N 0.90 1.29 -0.56 5.04 -1.32 -1.26 -1.20 115.64 118.52 1pma s THR 21 Ca -0.02 -2.09 0.04 0.00 -1.21 0.00 0.00 61.69 58.41 1pma s THR 21 Cb -0.15 -2.08 0.14 0.00 -1.51 0.00 0.00 72.50 68.91 1pma s THR 21 CO 0.00 -0.56 0.33 -0.32 -2.21 0.00 0.00 174.62 171.87 1pma s MET 22 N -3.76 1.99 6.57 7.08 -2.45 0.46 -4.88 119.30 124.31 1pma s MET 22 Ca 0.22 -2.75 0.00 0.00 -1.25 0.00 0.00 55.69 51.92 1pma s MET 22 Cb 0.03 -3.14 0.00 0.00 1.25 0.00 0.00 34.83 32.97 1pma s MET 22 CO 0.05 -1.18 0.00 0.39 1.05 0.00 0.00 175.02 175.33 1pma n GLU 23 N 2.80 0.00 -0.00 4.11 1.02 -1.26 -1.71 120.64 125.60 1pma n GLU 23 Ca 0.11 0.00 0.10 0.00 -0.02 0.00 0.00 57.16 57.35 1pma n GLU 23 Cb 0.34 0.00 -0.13 0.00 -0.02 0.00 0.00 31.44 31.63 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 10.23 0.80 -4.51 1.62 6.94 -1.26 -4.79 115.26 124.29 1pma n ASN 24 Ca 0.00 -0.79 -0.42 0.00 -0.02 0.00 0.00 54.58 53.35 1pma n ASN 24 Cb 0.00 1.20 -0.03 0.00 -2.36 0.00 0.00 39.78 38.59 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 -3.09 2.43 -0.78 -2.53 5.36 -0.69 -4.94 117.98 113.74 1pma s PHE 25 Ca 0.05 -0.24 -0.26 0.00 -0.96 0.00 0.00 56.93 55.52 1pma s PHE 25 Cb 0.15 -4.50 0.02 0.00 -0.34 0.00 0.00 43.02 38.35 1pma s PHE 25 CO 0.87 -1.92 1.46 -1.50 -1.46 0.00 0.00 175.22 172.67 1pma s ILE 26 N 5.11 3.67 0.05 3.12 -1.16 -1.26 -0.41 121.20 130.33 1pma s ILE 26 Ca 0.30 0.11 -0.02 0.00 -0.51 0.00 0.00 60.65 60.53 1pma s ILE 26 Cb -0.11 -4.71 -0.27 0.00 0.61 0.00 0.00 42.46 37.98 1pma s ILE 26 CO 0.13 -1.65 1.02 -0.03 -2.81 0.00 0.00 174.94 171.60 1pma h MET 27 N 10.97 0.21 -4.29 3.50 1.85 -1.88 -3.45 114.93 121.84 1pma h MET 27 Ca -0.16 -0.37 -0.54 0.00 -0.61 0.00 0.00 59.70 58.02 1pma h MET 27 Cb 1.06 0.14 -0.37 0.00 0.43 0.00 0.00 31.60 32.86 1pma h MET 27 CO 1.29 1.11 -0.81 -1.01 -0.40 0.00 0.00 176.91 177.10 1pma s HIS 28 N -2.64 1.64 0.18 1.39 3.76 -0.34 -5.01 115.29 114.26 1pma s HIS 28 Ca -0.05 -0.89 0.09 0.00 -0.15 0.00 0.00 55.06 54.06 1pma s HIS 28 Cb 0.07 -1.31 0.06 0.00 1.11 0.00 0.00 32.58 32.51 1pma s HIS 28 CO 0.86 -0.56 1.44 0.87 -0.85 0.00 0.00 174.74 176.50 1pma h LYS 29 N 8.15 0.00 -2.33 1.40 1.57 -1.83 0.11 116.57 123.64 1pma h LYS 29 Ca -0.30 0.00 -0.60 0.00 -1.87 0.00 0.00 60.65 57.88 1pma h LYS 29 Cb 1.13 0.00 -0.41 0.00 0.08 0.00 0.00 32.23 33.02 1pma h LYS 29 CO 0.42 0.81 -0.69 0.09 -0.57 0.00 0.00 179.45 179.51 1pma n ASN 30 N -3.54 2.84 -4.23 0.86 4.13 -1.25 -4.17 115.26 109.90 1pma n ASN 30 Ca -0.00 -3.23 -0.28 0.00 1.68 0.00 0.00 54.58 52.75 1pma n ASN 30 Cb 0.79 -0.68 0.17 0.00 -1.54 0.00 0.00 39.78 38.53 1pma n ASN 30 CO 0.00 0.00 0.00 -0.83 0.28 0.00 0.00 177.26 176.71 1pma s GLY 31 N -1.97 1.79 -0.10 7.41 0.00 0.11 -5.05 107.32 109.52 1pma s GLY 31 Ca 0.36 -1.54 0.02 0.00 0.00 0.00 0.00 44.72 43.55 1pma s GLY 31 CO -0.06 -0.79 -0.13 1.25 0.00 0.00 0.00 173.10 173.36 1pma s LYS 32 N -5.65 1.94 0.00 2.90 2.20 -1.26 -4.77 119.74 115.10 1pma s LYS 32 Ca 0.73 -0.46 0.00 0.00 -0.36 0.00 0.00 55.97 55.88 1pma s LYS 32 Cb -0.03 -1.69 0.00 0.00 -1.51 0.00 0.00 37.83 34.60 1pma s LYS 32 CO 0.50 -0.07 0.30 1.63 -0.36 0.00 0.00 175.35 177.36 1pma n LYS 33 N 4.20 1.74 -4.38 4.03 5.02 -1.26 -4.97 118.16 122.54 1pma n LYS 33 Ca -0.19 -0.30 -0.34 0.00 -2.02 0.00 0.00 58.31 55.46 1pma n LYS 33 Cb 0.51 -0.79 -0.14 0.00 -0.02 0.00 0.00 35.03 34.58 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 -0.67 2.69 -0.01 -0.35 2.96 -1.26 -1.68 118.68 120.35 1pma s LEU 34 Ca 0.00 -0.40 0.02 0.00 -0.22 0.00 0.00 54.13 53.53 1pma s LEU 34 Cb 0.00 -1.64 -0.00 0.00 0.50 0.00 0.00 46.19 45.05 1pma s LEU 34 CO 0.00 0.08 -0.07 -0.36 -1.32 0.00 0.00 176.35 174.67 1pma s PHE 35 N 0.89 0.70 0.21 5.38 0.08 -0.39 -5.00 117.98 119.85 1pma s PHE 35 Ca -0.03 -0.14 -0.30 0.00 0.12 0.00 0.00 56.93 56.58 1pma s PHE 35 Cb -0.15 -0.47 -0.08 0.00 -0.57 0.00 0.00 43.02 41.75 1pma s PHE 35 CO -0.00 -0.03 0.96 -1.14 -0.10 0.00 0.00 175.22 174.90 1pma s GLN 36 N -0.07 4.81 0.00 0.44 0.74 -1.26 -0.51 119.66 123.80 1pma s GLN 36 Ca 0.01 1.50 0.00 0.00 0.05 0.00 0.00 55.36 56.93 1pma s GLN 36 Cb -0.04 -3.30 0.00 0.00 1.10 0.00 0.00 33.01 30.77 1pma s GLN 36 CO -0.00 0.43 0.00 1.51 -0.55 0.00 0.00 175.29 176.68 1pma n ILE 37 N 1.76 0.00 -3.58 -2.34 3.06 0.23 -4.90 119.36 113.59 1pma n ILE 37 Ca -0.01 -0.41 -0.06 0.00 -2.50 0.00 0.00 62.75 59.77 1pma n ILE 37 Cb 0.47 0.93 -0.02 0.00 0.54 0.00 0.00 39.64 41.56 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 -1.07 -0.20 0.31 9.51 2.15 -0.91 -4.67 116.67 121.79 1pma s ASP 38 Ca 0.00 0.04 0.11 0.00 0.43 0.00 0.00 52.55 53.13 1pma s ASP 38 Cb 0.00 0.20 0.98 0.00 -0.30 0.00 0.00 42.92 43.80 1pma s ASP 38 CO 0.00 -0.31 1.44 0.35 -0.17 0.00 0.00 175.17 176.47 1pma n THR 39 N -0.01 -0.38 -1.84 1.71 -2.24 -1.26 -1.13 114.28 109.13 1pma n THR 39 Ca -0.03 1.93 -0.12 0.00 -2.27 0.00 0.00 64.05 63.56 1pma n THR 39 Cb 0.59 -2.97 0.10 0.00 -2.10 0.00 0.00 70.33 65.94 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 -5.19 1.67 -3.56 4.78 4.01 -1.26 -2.93 117.16 114.67 1pma n TYR 40 Ca 0.28 -1.94 -0.16 0.00 -0.16 0.00 0.00 57.90 55.93 1pma n TYR 40 Cb 0.95 -0.32 -0.06 0.00 -0.31 0.00 0.00 39.34 39.60 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 -4.06 0.00 0.33 -0.72 -1.32 -0.28 -1.59 115.64 108.00 1pma s THR 41 Ca 0.46 0.00 0.03 0.00 -1.21 0.00 0.00 61.69 60.97 1pma s THR 41 Cb 0.40 -1.00 -0.05 0.00 -1.51 0.00 0.00 72.50 70.34 1pma s THR 41 CO -0.00 0.00 0.10 -0.83 -2.21 0.00 0.00 174.62 171.67 1pma s GLY 42 N -0.65 2.15 -0.02 6.08 0.00 0.23 -0.61 107.32 114.50 1pma s GLY 42 Ca -0.06 -1.75 -0.13 0.00 0.00 0.00 0.00 44.72 42.78 1pma s GLY 42 CO 0.06 -1.75 0.28 -0.29 0.00 0.00 0.00 173.10 171.40 1pma s MET 43 N -3.87 0.61 -0.10 2.90 1.75 0.33 -1.48 119.30 119.44 1pma s MET 43 Ca 0.33 -0.16 0.03 0.00 -1.25 0.00 0.00 55.69 54.65 1pma s MET 43 Cb 0.06 0.27 0.00 0.00 2.84 0.00 0.00 34.83 38.01 1pma s MET 43 CO 0.15 -0.16 -0.22 0.95 -0.65 0.00 0.00 175.02 175.10 1pma s THR 44 N -1.18 1.90 0.01 10.11 -4.23 0.12 -1.26 115.64 121.12 1pma s THR 44 Ca -0.12 -0.92 -0.07 0.00 -1.18 0.00 0.00 61.69 59.40 1pma s THR 44 Cb -0.05 -1.66 -0.05 0.00 1.34 0.00 0.00 72.50 72.08 1pma s THR 44 CO 0.03 0.52 0.28 -0.63 -0.54 0.00 0.00 174.62 174.28 1pma s ILE 45 N 0.46 5.29 -0.28 2.99 1.01 -0.68 -1.94 121.20 128.05 1pma s ILE 45 Ca -0.17 0.19 -0.18 0.00 0.00 0.00 0.00 60.65 60.50 1pma s ILE 45 Cb -0.17 -3.57 0.09 0.00 0.01 0.00 0.00 42.46 38.81 1pma s ILE 45 CO 0.07 0.37 0.73 0.00 0.00 0.00 0.00 174.94 176.11 1pma s ALA 46 N -1.30 -1.90 0.00 9.38 0.00 -1.12 -4.86 121.76 121.95 1pma s ALA 46 Ca 0.28 2.31 0.00 0.00 0.00 0.00 0.00 51.96 54.55 1pma s ALA 46 Cb -0.13 -1.41 0.00 0.00 0.00 0.00 0.00 23.12 21.58 1pma s ALA 46 CO 0.16 -0.36 0.00 0.41 0.00 0.00 0.00 175.76 175.97 1pma n GLY 47 N 3.88 0.22 3.67 0.00 0.00 -1.26 -0.83 105.19 110.86 1pma n GLY 47 Ca -0.18 -1.58 -0.43 0.00 0.00 0.00 0.00 46.02 43.83 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 4.19 0.21 0.99 2.96 -0.86 -4.95 118.68 121.23 1pma s LEU 48 Ca 0.00 1.54 -0.12 0.00 -0.22 0.00 0.00 54.13 55.34 1pma s LEU 48 Cb 0.00 -3.55 0.26 0.00 0.50 0.00 0.00 46.19 43.40 1pma s LEU 48 CO 0.00 -0.59 1.67 -0.37 -1.32 0.00 0.00 176.35 175.74 1pma h VAL 49 N 5.26 0.53 -0.10 1.68 -1.51 -1.95 -2.25 116.25 117.91 1pma h VAL 49 Ca -0.27 -0.04 0.02 0.00 -1.23 0.00 0.00 66.70 65.18 1pma h VAL 49 Cb 1.11 0.40 -0.03 0.00 -2.13 0.00 0.00 31.29 30.64 1pma h VAL 49 CO 0.92 0.02 -0.25 1.23 -1.23 0.00 0.00 177.57 178.26 1pma h GLY 50 N 0.12 -1.41 0.63 5.19 0.00 -1.97 -1.92 103.07 103.72 1pma h GLY 50 Ca 0.30 0.71 0.08 0.00 0.00 0.00 0.00 47.33 48.42 1pma h GLY 50 CO -0.49 -0.43 0.57 -0.55 0.00 0.00 0.00 176.54 175.64 1pma h ASP 51 N -0.24 0.87 0.91 0.19 3.32 -1.87 -2.72 116.42 116.88 1pma h ASP 51 Ca 0.02 0.03 -0.04 0.00 0.02 0.00 0.00 57.03 57.05 1pma h ASP 51 Cb 0.30 -0.15 0.01 0.00 0.22 0.00 0.00 39.33 39.70 1pma h ASP 51 CO -0.22 0.53 -0.44 0.00 -1.72 0.00 0.00 179.24 177.39 1pma h ALA 52 N 1.46 -1.30 -0.36 3.45 0.00 -1.31 -2.08 119.26 119.12 1pma h ALA 52 Ca 0.42 -0.27 0.08 0.00 0.00 0.00 0.00 54.91 55.14 1pma h ALA 52 Cb 0.28 0.47 -0.09 0.00 0.00 0.00 0.00 17.79 18.45 1pma h ALA 52 CO -0.21 -1.21 -0.28 1.96 0.00 0.00 0.00 179.25 179.51 1pma h GLN 53 N -1.25 -0.22 -0.91 0.00 4.20 -1.21 0.49 115.11 116.21 1pma h GLN 53 Ca -0.12 0.02 0.07 0.00 0.06 0.00 0.00 58.65 58.67 1pma h GLN 53 Cb 0.93 0.05 -0.06 0.00 0.30 0.00 0.00 27.48 28.70 1pma h GLN 53 CO 0.20 -0.15 0.59 -0.24 -0.67 0.00 0.00 178.83 178.56 1pma h VAL 54 N -0.23 1.04 -0.74 -0.54 3.04 -1.57 -0.90 116.25 116.36 1pma h VAL 54 Ca 0.17 -0.34 -0.04 0.00 -1.01 0.00 0.00 66.70 65.48 1pma h VAL 54 Cb 0.51 -0.05 -0.03 0.00 -2.01 0.00 0.00 31.29 29.71 1pma h VAL 54 CO -0.50 0.18 0.31 0.25 -1.01 0.00 0.00 177.57 176.81 1pma h LEU 55 N 1.01 1.01 -0.41 3.16 5.85 0.53 -1.32 115.31 125.15 1pma h LEU 55 Ca 0.40 -0.16 -0.02 0.00 0.84 0.00 0.00 57.88 58.93 1pma h LEU 55 Cb 0.24 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 40.99 1pma h LEU 55 CO -0.16 0.89 0.16 1.62 -0.34 0.00 0.00 178.44 180.62 1pma h VAL 56 N 1.06 1.20 -0.34 1.05 3.04 0.73 -2.04 116.25 120.95 1pma h VAL 56 Ca 0.25 -0.61 -0.00 0.00 -1.01 0.00 0.00 66.70 65.32 1pma h VAL 56 Cb 0.19 0.84 -0.02 0.00 -2.01 0.00 0.00 31.29 30.30 1pma h VAL 56 CO -0.02 0.22 0.20 0.03 -1.01 0.00 0.00 177.57 176.98 1pma h ARG 57 N 0.51 0.47 0.19 4.17 3.08 -0.81 0.67 114.38 122.65 1pma h ARG 57 Ca 0.13 -0.05 0.01 0.00 0.07 0.00 0.00 59.98 60.15 1pma h ARG 57 Cb 0.19 -0.09 -0.03 0.00 0.08 0.00 0.00 29.97 30.12 1pma h ARG 57 CO -0.01 0.37 -0.27 1.88 -1.07 0.00 0.00 179.97 180.87 1pma h TYR 58 N 0.43 -0.73 -0.33 3.04 0.05 -1.12 -1.95 116.97 116.35 1pma h TYR 58 Ca 0.12 0.01 0.07 0.00 0.05 0.00 0.00 58.73 58.98 1pma h TYR 58 Cb 0.03 0.30 -0.06 0.00 1.01 0.00 0.00 36.73 38.01 1pma h TYR 58 CO -0.03 -0.39 -0.08 1.98 -1.05 0.00 0.00 178.16 178.59 1pma h MET 59 N -0.53 0.00 -0.23 4.88 4.05 -1.12 0.23 114.93 122.21 1pma h MET 59 Ca 0.01 -0.00 0.06 0.00 -0.28 0.00 0.00 59.70 59.49 1pma h MET 59 Cb 0.52 -0.00 -0.07 0.00 -0.80 0.00 0.00 31.60 31.25 1pma h MET 59 CO -0.11 0.00 -0.26 -0.22 0.23 0.00 0.00 176.91 176.55 1pma h LYS 60 N 0.00 -0.27 0.18 0.39 3.64 -0.65 -0.25 116.57 119.62 1pma h LYS 60 Ca 0.16 0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.55 1pma h LYS 60 Cb 0.24 0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.13 1pma h LYS 60 CO -0.34 -0.18 -0.09 0.00 -2.27 0.00 0.00 179.45 176.57 1pma h ALA 61 N 0.72 -0.24 -1.10 5.00 0.00 -0.96 -2.62 119.26 120.06 1pma h ALA 61 Ca 0.13 -0.18 0.30 0.00 0.00 0.00 0.00 54.91 55.16 1pma h ALA 61 Cb 0.48 0.09 -0.08 0.00 0.00 0.00 0.00 17.79 18.28 1pma h ALA 61 CO -0.39 -0.46 0.74 1.49 0.00 0.00 0.00 179.25 180.62 1pma h GLU 62 N -0.59 0.24 -0.03 0.00 4.57 -0.20 0.51 114.58 119.08 1pma h GLU 62 Ca -0.02 -0.01 -0.05 0.00 -1.18 0.00 0.00 59.36 58.09 1pma h GLU 62 Cb 0.44 -0.05 0.00 0.00 -0.16 0.00 0.00 28.75 28.98 1pma h GLU 62 CO 0.04 0.16 -0.19 -0.07 -1.18 0.00 0.00 179.01 177.77 1pma h LEU 63 N 0.25 0.21 -0.86 1.64 4.07 -0.92 -2.60 115.31 117.10 1pma h LEU 63 Ca 0.60 -0.69 0.03 0.00 0.08 0.00 0.00 57.88 57.90 1pma h LEU 63 Cb 1.81 -0.06 -0.05 0.00 1.08 0.00 0.00 40.66 43.44 1pma h LEU 63 CO -0.22 0.87 0.56 -0.08 -1.08 0.00 0.00 178.44 178.49 1pma h GLU 64 N -0.42 1.07 -0.21 1.13 4.81 -0.60 0.85 114.58 121.21 1pma h GLU 64 Ca -0.02 -0.06 -0.01 0.00 -0.13 0.00 0.00 59.36 59.14 1pma h GLU 64 Cb 0.87 -0.24 -0.01 0.00 0.63 0.00 0.00 28.75 30.00 1pma h GLU 64 CO 0.04 0.71 0.10 1.25 -0.73 0.00 0.00 179.01 180.38 1pma h LEU 65 N 1.10 0.27 -0.35 1.64 5.85 -1.14 -2.27 115.31 120.41 1pma h LEU 65 Ca 0.34 -0.12 0.04 0.00 0.84 0.00 0.00 57.88 58.98 1pma h LEU 65 Cb -0.03 -0.07 -0.04 0.00 0.37 0.00 0.00 40.66 40.89 1pma h LEU 65 CO -0.11 0.31 0.11 0.22 -0.34 0.00 0.00 178.44 178.63 1pma h TYR 66 N 0.21 0.19 -0.02 1.25 5.03 -0.97 -2.13 116.97 120.52 1pma h TYR 66 Ca 0.07 0.02 0.03 0.00 2.58 0.00 0.00 58.73 61.43 1pma h TYR 66 Cb 0.11 -0.03 -0.05 0.00 1.55 0.00 0.00 36.73 38.30 1pma h TYR 66 CO -0.03 0.07 -0.35 -0.09 -1.32 0.00 0.00 178.16 176.45 1pma h ARG 67 N 0.25 -0.47 -0.37 1.82 2.43 -0.62 -0.99 114.38 116.42 1pma h ARG 67 Ca 0.16 0.03 0.05 0.00 -0.81 0.00 0.00 59.98 59.41 1pma h ARG 67 Cb 0.14 0.11 -0.05 0.00 -0.42 0.00 0.00 29.97 29.75 1pma h ARG 67 CO -0.17 -0.31 0.09 -0.07 -1.51 0.00 0.00 179.97 178.00 1pma h LEU 68 N -0.49 0.05 -0.79 3.80 4.07 -1.16 0.43 115.31 121.22 1pma h LEU 68 Ca 0.06 0.06 -0.13 0.00 0.08 0.00 0.00 57.88 57.95 1pma h LEU 68 Cb 0.58 0.07 -0.02 0.00 1.08 0.00 0.00 40.66 42.37 1pma h LEU 68 CO -0.30 0.07 -0.59 1.56 -1.08 0.00 0.00 178.44 178.10 1pma h GLN 69 N 0.23 0.04 -0.01 1.13 4.20 -1.30 -3.28 115.11 116.11 1pma h GLN 69 Ca 0.18 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.86 1pma h GLN 69 Cb 0.19 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.97 1pma h GLN 69 CO -0.21 0.62 -0.45 0.54 -0.67 0.00 0.00 178.83 178.65 1pma n ARG 70 N -3.85 1.34 -0.79 1.46 1.74 -0.38 -4.99 116.66 111.19 1pma n ARG 70 Ca -0.01 -0.89 0.00 0.00 -0.77 0.00 0.00 57.85 56.18 1pma n ARG 70 Cb 0.59 -1.41 0.00 0.00 -1.02 0.00 0.00 32.46 30.63 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 -0.13 -0.92 -3.96 5.56 3.00 0.15 -4.92 116.66 115.44 1pma n ARG 71 Ca 0.08 0.23 -0.09 0.00 -0.00 0.00 0.00 57.85 58.07 1pma n ARG 71 Cb 0.42 -4.51 -0.10 0.00 0.00 0.00 0.00 32.46 28.27 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 -1.25 0.13 0.41 5.15 0.11 -1.22 -5.01 120.40 118.72 1pma s VAL 72 Ca 0.00 -1.04 -0.25 0.00 -2.93 0.00 0.00 61.98 57.76 1pma s VAL 72 Cb 0.00 -0.63 -0.08 0.00 -1.53 0.00 0.00 36.38 34.14 1pma s VAL 72 CO 0.00 -0.57 1.20 0.20 -3.33 0.00 0.00 175.10 172.59 1pma s ASN 73 N -1.82 6.42 0.26 3.54 -0.87 -1.26 -4.36 114.94 116.85 1pma s ASN 73 Ca -0.10 2.41 -0.30 0.00 -1.57 0.00 0.00 52.86 53.31 1pma s ASN 73 Cb -0.05 -2.62 -0.10 0.00 -0.02 0.00 0.00 41.25 38.47 1pma s ASN 73 CO -0.03 -0.75 1.35 -0.32 -2.57 0.00 0.00 177.10 174.78 1pma s MET 74 N -2.34 4.34 0.64 -0.60 -2.45 -1.26 -4.99 119.30 112.65 1pma s MET 74 Ca 0.58 2.18 -0.16 0.00 -1.25 0.00 0.00 55.69 57.04 1pma s MET 74 Cb -0.32 -3.13 -0.01 0.00 1.25 0.00 0.00 34.83 32.62 1pma s MET 74 CO 0.40 -0.28 1.13 -2.14 1.05 0.00 0.00 175.02 175.18 1pma s PRO 75 N -0.77 2.84 0.12 4.11 0.02 -1.26 -4.85 135.00 135.21 1pma s PRO 75 Ca 0.55 1.50 -0.20 0.00 0.02 0.00 0.00 61.00 62.87 1pma s PRO 75 Cb -0.39 -1.95 -0.07 0.00 0.02 0.00 0.00 34.50 32.11 1pma s PRO 75 CO 0.45 -1.23 1.75 0.82 -0.33 0.00 0.00 177.00 178.45 1pma h ILE 76 N 0.27 1.08 0.00 2.83 1.08 -1.94 -0.99 117.51 119.83 1pma h ILE 76 Ca -0.48 -0.18 -0.01 0.00 -0.39 0.00 0.00 64.86 63.80 1pma h ILE 76 Cb 1.26 0.83 -0.00 0.00 -3.07 0.00 0.00 36.82 35.84 1pma h ILE 76 CO 0.54 0.07 -0.06 -0.08 -0.69 0.00 0.00 178.15 177.94 1pma h GLU 77 N 0.25 0.00 0.17 2.37 4.81 -1.98 -1.11 114.58 119.09 1pma h GLU 77 Ca 0.07 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.30 1pma h GLU 77 Cb 0.01 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.39 1pma h GLU 77 CO -0.01 0.06 -0.08 0.00 -0.73 0.00 0.00 179.01 178.24 1pma h ALA 78 N 1.94 -0.23 -0.75 2.92 0.00 -1.61 -0.22 119.26 121.32 1pma h ALA 78 Ca -0.00 -0.20 0.12 0.00 0.00 0.00 0.00 54.91 54.83 1pma h ALA 78 Cb 0.12 0.09 -0.08 0.00 0.00 0.00 0.00 17.79 17.92 1pma h ALA 78 CO 0.01 -0.42 0.36 -0.24 0.00 0.00 0.00 179.25 178.95 1pma h VAL 79 N -0.64 0.78 -0.68 0.00 3.04 -0.61 0.21 116.25 118.35 1pma h VAL 79 Ca -0.02 -0.19 -0.01 0.00 -1.01 0.00 0.00 66.70 65.46 1pma h VAL 79 Cb 0.47 0.16 -0.03 0.00 -2.01 0.00 0.00 31.29 29.88 1pma h VAL 79 CO 0.04 0.10 0.39 0.00 -1.01 0.00 0.00 177.57 177.09 1pma h ALA 80 N 1.48 0.87 -0.31 3.17 0.00 -1.11 -1.24 119.26 122.13 1pma h ALA 80 Ca 0.39 -0.10 -0.09 0.00 0.00 0.00 0.00 54.91 55.11 1pma h ALA 80 Cb 0.48 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1pma h ALA 80 CO -0.32 0.37 -0.14 1.15 0.00 0.00 0.00 179.25 180.31 1pma h THR 81 N 0.93 1.29 -0.00 0.00 2.02 0.45 0.31 112.91 117.91 1pma h THR 81 Ca 0.24 -1.24 0.02 0.00 0.77 0.00 0.00 66.41 66.20 1pma h THR 81 Cb 0.01 1.45 -0.05 0.00 -1.74 0.00 0.00 68.15 67.81 1pma h THR 81 CO -0.04 0.40 -0.51 0.25 0.37 0.00 0.00 175.52 175.98 1pma h LEU 82 N 0.40 -1.59 -0.44 2.58 5.85 -0.32 0.18 115.31 121.97 1pma h LEU 82 Ca 0.07 0.18 0.09 0.00 0.84 0.00 0.00 57.88 59.06 1pma h LEU 82 Cb 0.67 0.60 -0.09 0.00 0.37 0.00 0.00 40.66 42.21 1pma h LEU 82 CO 0.04 -0.50 -0.14 0.25 -0.34 0.00 0.00 178.44 177.75 1pma h LEU 83 N -0.64 -0.51 -0.70 2.25 5.85 -1.19 0.89 115.31 121.26 1pma h LEU 83 Ca 0.01 0.14 0.13 0.00 0.84 0.00 0.00 57.88 59.01 1pma h LEU 83 Cb 0.69 0.31 -0.09 0.00 0.37 0.00 0.00 40.66 41.94 1pma h LEU 83 CO -0.34 -0.18 0.23 -1.28 -0.34 0.00 0.00 178.44 176.53 1pma h SER 84 N -0.04 0.16 -0.02 1.25 0.87 0.21 -0.84 113.55 115.14 1pma h SER 84 Ca 0.21 0.11 0.00 0.00 -1.23 0.00 0.00 61.79 60.89 1pma h SER 84 Cb 0.37 0.12 -0.00 0.00 -0.44 0.00 0.00 62.40 62.44 1pma h SER 84 CO -0.48 0.06 -0.00 0.78 -0.53 0.00 0.00 176.83 176.66 1pma h ASN 85 N 0.37 -0.01 -0.06 6.23 4.21 0.18 -2.30 115.58 124.18 1pma h ASN 85 Ca 0.38 0.00 0.04 0.00 1.21 0.00 0.00 56.30 57.93 1pma h ASN 85 Cb 0.57 0.01 -0.06 0.00 -1.12 0.00 0.00 38.32 37.73 1pma h ASN 85 CO -0.41 -0.01 -0.33 0.24 -1.29 0.00 0.00 177.43 175.63 1pma h MET 86 N 0.00 -0.43 -0.35 0.81 2.86 -0.38 -1.12 114.93 116.32 1pma h MET 86 Ca 0.01 0.03 -0.00 0.00 -2.06 0.00 0.00 59.70 57.67 1pma h MET 86 Cb 0.01 0.10 -0.02 0.00 0.06 0.00 0.00 31.60 31.75 1pma h MET 86 CO -0.02 -0.29 0.20 -0.07 1.06 0.00 0.00 176.91 177.79 1pma h LEU 87 N -0.45 0.42 -0.81 1.22 4.07 -1.38 -3.00 115.31 115.38 1pma h LEU 87 Ca 0.08 -0.07 -0.11 0.00 0.08 0.00 0.00 57.88 57.85 1pma h LEU 87 Cb 0.57 -0.11 -0.01 0.00 1.08 0.00 0.00 40.66 42.19 1pma h LEU 87 CO -0.31 0.37 -0.28 -1.13 -1.08 0.00 0.00 178.44 176.01 1pma h ASN 88 N 0.44 0.59 0.00 -0.43 -0.73 -1.28 -2.57 115.58 111.60 1pma h ASN 88 Ca 0.12 -0.22 0.00 0.00 1.87 0.00 0.00 56.30 58.08 1pma h ASN 88 Cb 0.04 -0.16 0.00 0.00 0.27 0.00 0.00 38.32 38.46 1pma h ASN 88 CO -0.02 0.84 0.16 -0.61 -0.37 0.00 0.00 177.43 177.43 1pma h GLN 89 N 0.50 0.00 -0.07 6.67 4.15 -1.06 -1.50 115.11 123.80 1pma h GLN 89 Ca 0.07 0.00 -0.11 0.00 0.77 0.00 0.00 58.65 59.37 1pma h GLN 89 Cb 0.74 0.00 -0.18 0.00 0.21 0.00 0.00 27.48 28.24 1pma h GLN 89 CO 0.06 0.00 -0.74 1.55 -1.93 0.00 0.00 178.83 177.77 1pma n VAL 90 N -2.90 1.44 -0.14 2.39 3.14 -0.99 -4.87 118.33 116.39 1pma n VAL 90 Ca -0.02 -2.54 0.21 0.00 -2.96 0.00 0.00 64.34 59.02 1pma n VAL 90 Cb 0.22 0.19 0.61 0.00 -1.06 0.00 0.00 33.84 33.79 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 1.16 0.19 0.00 1.45 2.10 -1.03 -0.27 116.57 120.18 1pma h LYS 91 Ca -0.06 -0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.58 1pma h LYS 91 Cb 1.36 -0.04 0.00 0.00 -0.90 0.00 0.00 32.23 32.64 1pma h LYS 91 CO 0.10 0.13 0.00 0.66 -2.00 0.00 0.00 179.45 178.34 1pma n TYR 92 N -4.41 0.00 -2.78 0.07 4.01 -1.26 -3.55 117.16 109.24 1pma n TYR 92 Ca 0.15 0.00 -0.10 0.00 -0.16 0.00 0.00 57.90 57.80 1pma n TYR 92 Cb 0.70 -0.28 0.07 0.00 -0.31 0.00 0.00 39.34 39.52 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 -1.28 1.10 -1.04 -0.72 2.81 -0.40 -5.14 117.12 112.45 1pma n MET 93 Ca 0.14 -2.41 -0.34 0.00 -1.81 0.00 0.00 57.70 53.29 1pma n MET 93 Cb 0.24 -0.83 0.12 0.00 -0.71 0.00 0.00 33.22 32.03 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 -0.09 0.07 -2.75 0.03 -0.04 -0.25 -4.96 135.00 127.02 1pma n PRO 94 Ca 0.07 0.09 -0.43 0.00 -0.04 0.00 0.00 63.50 63.19 1pma n PRO 94 Cb 0.77 -2.26 -0.04 0.00 -0.04 0.00 0.00 33.50 31.93 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 -2.18 2.71 -0.90 0.54 1.51 -1.26 -4.92 117.35 112.86 1pma s TYR 95 Ca 0.69 0.09 -0.25 0.00 -1.01 0.00 0.00 57.07 56.60 1pma s TYR 95 Cb -0.28 -4.24 -0.07 0.00 -0.11 0.00 0.00 41.96 37.26 1pma s TYR 95 CO 0.55 -1.46 2.03 -1.64 -1.11 0.00 0.00 175.55 173.92 1pma s MET 96 N 4.32 2.36 0.24 -0.62 -1.94 -1.26 -4.69 119.30 117.71 1pma s MET 96 Ca 0.34 -0.20 -0.14 0.00 -1.71 0.00 0.00 55.69 53.98 1pma s MET 96 Cb -0.11 -5.02 0.00 0.00 2.01 0.00 0.00 34.83 31.71 1pma s MET 96 CO 0.20 -3.64 0.50 0.54 -0.01 0.00 0.00 175.02 172.62 1pma s VAL 97 N 11.10 0.01 -0.16 -6.03 0.11 -1.26 -2.02 120.40 122.15 1pma s VAL 97 Ca 0.74 -1.29 -0.04 0.00 -2.93 0.00 0.00 61.98 58.47 1pma s VAL 97 Cb -0.07 -2.08 0.07 0.00 -1.53 0.00 0.00 36.38 32.77 1pma s VAL 97 CO 0.02 -0.03 0.19 -1.58 -3.33 0.00 0.00 175.10 170.36 1pma s GLN 98 N -3.99 0.12 0.04 1.54 0.74 -0.01 -3.16 119.66 114.94 1pma s GLN 98 Ca 0.19 0.30 0.03 0.00 0.05 0.00 0.00 55.36 55.94 1pma s GLN 98 Cb -0.01 -0.95 -0.04 0.00 1.10 0.00 0.00 33.01 33.11 1pma s GLN 98 CO 0.07 -0.53 -0.01 -0.51 -0.55 0.00 0.00 175.29 173.76 1pma s LEU 99 N 2.30 3.46 -0.16 3.68 1.43 -0.49 -2.81 118.68 126.08 1pma s LEU 99 Ca 0.05 -0.10 -0.00 0.00 -1.03 0.00 0.00 54.13 53.04 1pma s LEU 99 Cb -0.14 -2.09 0.04 0.00 0.03 0.00 0.00 46.19 44.02 1pma s LEU 99 CO -0.10 0.23 -0.08 -0.22 0.23 0.00 0.00 176.35 176.41 1pma s LEU 100 N -1.92 1.71 -0.21 1.79 2.96 -0.82 -0.55 118.68 121.63 1pma s LEU 100 Ca 0.22 -0.64 0.01 0.00 -0.22 0.00 0.00 54.13 53.51 1pma s LEU 100 Cb -0.12 -1.01 0.03 0.00 0.50 0.00 0.00 46.19 45.60 1pma s LEU 100 CO 0.14 -0.15 -0.15 0.54 -1.32 0.00 0.00 176.35 175.41 1pma s VAL 101 N 1.57 2.27 0.22 1.68 0.11 -0.76 0.14 120.40 125.62 1pma s VAL 101 Ca 0.01 -1.12 0.09 0.00 -2.93 0.00 0.00 61.98 58.03 1pma s VAL 101 Cb -0.15 -2.09 -0.04 0.00 -1.53 0.00 0.00 36.38 32.57 1pma s VAL 101 CO -0.08 0.33 -0.03 -0.83 -3.33 0.00 0.00 175.10 171.16 1pma s GLY 102 N 1.25 1.69 0.00 6.54 0.00 -0.55 -1.45 107.32 114.81 1pma s GLY 102 Ca 0.01 -1.52 0.00 0.00 0.00 0.00 0.00 44.72 43.21 1pma s GLY 102 CO -0.09 -1.56 0.00 0.61 0.00 0.00 0.00 173.10 172.06 1pma n GLY 103 N -0.42 -0.81 2.80 0.20 0.00 -1.12 -0.60 105.19 105.25 1pma n GLY 103 Ca -0.09 -1.09 -0.18 0.00 0.00 0.00 0.00 46.02 44.67 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 -0.24 0.00 -0.61 2.07 -0.62 -0.92 121.20 118.87 1pma s ILE 104 Ca 0.00 0.30 0.00 0.00 -1.41 0.00 0.00 60.65 59.54 1pma s ILE 104 Cb 0.00 -0.33 0.00 0.00 0.13 0.00 0.00 42.46 42.26 1pma s ILE 104 CO 0.00 0.10 0.00 -0.90 -1.91 0.00 0.00 174.94 172.23 1pma n ASP 105 N 5.32 0.00 0.23 4.50 5.68 -1.26 -4.84 116.55 126.18 1pma n ASP 105 Ca -0.05 0.00 0.10 0.00 -0.50 0.00 0.00 54.79 54.34 1pma n ASP 105 Cb 0.50 0.00 0.56 0.00 -1.14 0.00 0.00 41.12 41.04 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 0.71 -3.33 2.12 1.03 -2.00 -3.46 112.91 107.98 1pma h THR 106 Ca 0.00 -0.90 -0.02 0.00 -0.01 0.00 0.00 66.41 65.48 1pma h THR 106 Cb 0.00 1.56 -0.06 0.00 -1.07 0.00 0.00 68.15 68.58 1pma h THR 106 CO 0.00 0.21 0.08 0.00 -0.01 0.00 0.00 175.52 175.80 1pma s ALA 107 N -4.00 -0.62 0.49 0.00 0.00 -1.26 -5.17 121.76 111.20 1pma s ALA 107 Ca -0.02 -0.69 -0.19 0.00 0.00 0.00 0.00 51.96 51.06 1pma s ALA 107 Cb 0.12 0.92 -0.08 0.00 0.00 0.00 0.00 23.12 24.09 1pma s ALA 107 CO 0.63 -0.94 1.02 -2.14 0.00 0.00 0.00 175.76 174.33 1pma s PRO 108 N -3.59 3.82 0.20 0.00 0.02 -1.26 -4.41 135.00 129.78 1pma s PRO 108 Ca 0.18 1.25 -0.09 0.00 0.02 0.00 0.00 61.00 62.35 1pma s PRO 108 Cb -0.03 -2.10 -0.01 0.00 0.02 0.00 0.00 34.50 32.37 1pma s PRO 108 CO 0.10 -0.40 0.34 -1.01 -0.33 0.00 0.00 177.00 175.70 1pma s HIS 109 N -2.15 0.49 -0.30 6.54 3.76 -0.10 -4.98 115.29 118.55 1pma s HIS 109 Ca 0.65 -0.83 -0.13 0.00 -0.15 0.00 0.00 55.06 54.61 1pma s HIS 109 Cb -0.14 -0.03 0.15 0.00 1.11 0.00 0.00 32.58 33.66 1pma s HIS 109 CO 0.22 -0.81 0.82 0.54 -0.85 0.00 0.00 174.74 174.66 1pma s VAL 110 N -4.01 -0.72 0.06 -0.90 0.11 -1.26 -2.77 120.40 110.91 1pma s VAL 110 Ca 0.22 0.00 0.10 0.00 -2.93 0.00 0.00 61.98 59.37 1pma s VAL 110 Cb 0.02 -1.00 -0.03 0.00 -1.53 0.00 0.00 36.38 33.84 1pma s VAL 110 CO 0.05 0.00 -0.26 -0.36 -3.33 0.00 0.00 175.10 171.20 1pma s PHE 111 N 2.62 2.33 -0.19 1.54 0.40 -0.53 -2.65 117.98 121.50 1pma s PHE 111 Ca -0.05 -0.40 -0.08 0.00 -0.60 0.00 0.00 56.93 55.80 1pma s PHE 111 Cb -0.09 -1.37 -0.04 0.00 0.51 0.00 0.00 43.02 42.03 1pma s PHE 111 CO -0.18 0.18 0.09 0.45 0.70 0.00 0.00 175.22 176.46 1pma s SER 112 N -1.43 5.85 -0.06 1.36 0.15 0.45 -1.82 113.70 118.20 1pma s SER 112 Ca 0.12 0.13 0.03 0.00 0.70 0.00 0.00 55.95 56.93 1pma s SER 112 Cb -0.10 -2.02 0.01 0.00 -1.71 0.00 0.00 66.02 62.21 1pma s SER 112 CO 0.03 0.16 -0.13 -0.63 1.20 0.00 0.00 173.24 173.88 1pma s ILE 113 N 0.44 1.18 0.38 6.45 -1.09 0.29 -1.60 121.20 127.24 1pma s ILE 113 Ca 0.05 -0.51 0.08 0.00 -2.23 0.00 0.00 60.65 58.03 1pma s ILE 113 Cb -0.12 -1.07 -0.02 0.00 -1.58 0.00 0.00 42.46 39.67 1pma s ILE 113 CO -0.00 0.36 0.37 1.51 -1.23 0.00 0.00 174.94 175.95 1pma s ASP 114 N 0.58 5.29 0.01 3.58 1.47 -0.77 -1.40 116.67 125.42 1pma s ASP 114 Ca -0.13 -0.56 0.01 0.00 1.18 0.00 0.00 52.55 53.04 1pma s ASP 114 Cb -0.15 -0.80 0.03 0.00 -0.34 0.00 0.00 42.92 41.66 1pma s ASP 114 CO 0.04 -0.52 0.89 0.00 0.68 0.00 0.00 175.17 176.26 1pma n ALA 115 N -1.51 0.75 -0.06 2.11 0.00 -1.19 -0.36 120.51 120.24 1pma n ALA 115 Ca 0.01 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.54 1pma n ALA 115 Cb 0.60 -0.76 0.18 0.00 0.00 0.00 0.00 19.45 19.48 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 -1.38 2.29 -1.71 0.00 0.00 -1.26 -4.59 120.51 113.86 1pma n ALA 116 Ca -0.00 -1.08 -0.02 0.00 0.00 0.00 0.00 53.44 52.34 1pma n ALA 116 Cb 0.13 -0.59 -0.00 0.00 0.00 0.00 0.00 19.45 18.99 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 0.90 0.37 3.70 0.00 0.00 0.51 -3.70 105.19 106.97 1pma n GLY 117 Ca 0.15 -0.88 -0.40 0.00 0.00 0.00 0.00 46.02 44.88 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 -2.94 2.47 -0.07 -0.02 0.00 -1.25 -4.78 107.32 100.72 1pma s GLY 118 Ca 0.00 0.11 0.03 0.00 0.00 0.00 0.00 44.72 44.85 1pma s GLY 118 CO 0.00 1.35 -0.15 -0.45 0.00 0.00 0.00 173.10 173.85 1pma s SER 119 N 0.94 2.11 -0.14 1.64 0.15 -1.26 -1.85 113.70 115.29 1pma s SER 119 Ca 0.38 -0.37 -0.10 0.00 0.70 0.00 0.00 55.95 56.57 1pma s SER 119 Cb -0.18 -0.98 0.05 0.00 -1.71 0.00 0.00 66.02 63.20 1pma s SER 119 CO 0.17 0.07 0.36 0.54 1.20 0.00 0.00 173.24 175.57 1pma s VAL 120 N 0.59 -0.02 -0.03 4.45 0.11 -0.62 -4.98 120.40 119.90 1pma s VAL 120 Ca -0.16 0.06 -0.12 0.00 -2.93 0.00 0.00 61.98 58.83 1pma s VAL 120 Cb -0.16 -0.52 -0.05 0.00 -1.53 0.00 0.00 36.38 34.12 1pma s VAL 120 CO 0.05 0.02 0.33 -0.70 -3.33 0.00 0.00 175.10 171.47 1pma s GLU 121 N 0.82 3.76 0.37 1.54 2.12 -1.26 -0.41 118.70 125.64 1pma s GLU 121 Ca -0.05 0.23 0.06 0.00 0.36 0.00 0.00 54.97 55.57 1pma s GLU 121 Cb -0.06 -3.19 -0.03 0.00 0.26 0.00 0.00 34.13 31.11 1pma s GLU 121 CO -0.06 0.71 0.23 0.34 -0.54 0.00 0.00 175.26 175.94 1pma s ASP 122 N -1.14 2.19 0.15 -1.70 2.15 -1.08 -5.00 116.67 112.24 1pma s ASP 122 Ca 0.22 -1.76 0.24 0.00 0.43 0.00 0.00 52.55 51.68 1pma s ASP 122 Cb -0.15 0.58 0.36 0.00 -0.30 0.00 0.00 42.92 43.41 1pma s ASP 122 CO 0.11 -1.04 1.35 0.16 -0.17 0.00 0.00 175.17 175.58 1pma h ILE 123 N 1.97 0.00 -1.51 4.11 -2.65 -1.95 -3.39 117.51 114.09 1pma h ILE 123 Ca -0.28 -0.56 0.20 0.00 1.03 0.00 0.00 64.86 65.25 1pma h ILE 123 Cb 1.25 1.19 -0.21 0.00 -2.05 0.00 0.00 36.82 37.00 1pma h ILE 123 CO 0.43 0.00 0.75 -0.72 0.03 0.00 0.00 178.15 178.63 1pma s TYR 124 N -3.18 -0.19 -0.09 0.16 1.13 -1.26 0.69 117.35 114.61 1pma s TYR 124 Ca 0.06 0.20 -0.30 0.00 -1.41 0.00 0.00 57.07 55.62 1pma s TYR 124 Cb 0.13 0.50 0.12 0.00 -1.10 0.00 0.00 41.96 41.60 1pma s TYR 124 CO 0.71 -0.24 0.98 0.00 -2.51 0.00 0.00 175.55 174.49 1pma s ALA 125 N -1.97 -1.90 0.27 9.51 0.00 -0.18 -5.00 121.76 122.49 1pma s ALA 125 Ca 0.06 1.30 0.10 0.00 0.00 0.00 0.00 51.96 53.43 1pma s ALA 125 Cb -0.01 -0.06 -0.05 0.00 0.00 0.00 0.00 23.12 23.00 1pma s ALA 125 CO -0.05 -0.54 -0.15 0.45 0.00 0.00 0.00 175.76 175.47 1pma s SER 126 N -1.96 3.26 -0.01 0.00 0.15 -1.26 -1.31 113.70 112.57 1pma s SER 126 Ca 0.03 -1.08 -0.03 0.00 0.70 0.00 0.00 55.95 55.58 1pma s SER 126 Cb -0.01 -0.25 0.00 0.00 -1.71 0.00 0.00 66.02 64.05 1pma s SER 126 CO -0.05 -0.10 0.06 -0.89 1.20 0.00 0.00 173.24 173.46 1pma s THR 127 N -2.70 0.03 0.00 6.45 2.01 -0.41 -4.96 115.64 116.06 1pma s THR 127 Ca 0.29 -0.26 0.00 0.00 0.31 0.00 0.00 61.69 62.02 1pma s THR 127 Cb -0.02 -0.18 0.00 0.00 0.01 0.00 0.00 72.50 72.32 1pma s THR 127 CO 0.13 -0.14 0.00 0.61 -0.69 0.00 0.00 174.62 174.52 1pma n GLY 128 N 2.56 1.36 0.32 4.40 0.00 -1.26 -0.53 105.19 112.04 1pma n GLY 128 Ca -0.16 -2.13 0.09 0.00 0.00 0.00 0.00 46.02 43.83 1pma n GLY 128 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1pma h SER 129 N 0.00 -0.48 -0.34 1.61 0.87 -0.07 0.97 113.55 116.11 1pma h SER 129 Ca 0.00 0.24 0.00 0.00 -1.23 0.00 0.00 61.79 60.80 1pma h SER 129 Cb 0.00 0.44 0.00 0.00 -0.44 0.00 0.00 62.40 62.40 1pma h SER 129 CO 0.00 -0.27 0.00 0.61 -0.53 0.00 0.00 176.83 176.64 1pma n GLY 130 N -1.48 1.52 0.35 5.77 0.00 -1.04 -4.63 105.19 105.68 1pma n GLY 130 Ca 0.18 -0.44 -0.07 0.00 0.00 0.00 0.00 46.02 45.69 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 2.14 -1.17 -0.57 1.61 0.02 -1.05 -2.89 113.55 111.64 1pma h SER 131 Ca 0.00 0.21 0.10 0.00 -0.84 0.00 0.00 61.79 61.26 1pma h SER 131 Cb 0.88 0.56 -0.11 0.00 0.14 0.00 0.00 62.40 63.87 1pma h SER 131 CO 0.13 -0.32 -0.36 -0.65 -1.14 0.00 0.00 176.83 174.49 1pma h PRO 132 N -0.21 -0.18 -0.39 3.45 0.11 -1.83 -0.17 132.00 132.77 1pma h PRO 132 Ca 0.20 0.01 0.08 0.00 0.11 0.00 0.00 66.00 66.40 1pma h PRO 132 Cb 0.55 0.04 -0.08 0.00 0.11 0.00 0.00 31.00 31.62 1pma h PRO 132 CO -0.62 -0.12 -0.11 0.74 -0.21 0.00 0.00 178.00 177.68 1pma h PHE 133 N -0.19 -0.24 -0.20 0.65 0.04 -1.88 0.24 116.94 115.36 1pma h PHE 133 Ca 0.21 0.04 -0.02 0.00 2.80 0.00 0.00 57.97 61.00 1pma h PHE 133 Cb 0.56 0.17 -0.01 0.00 2.20 0.00 0.00 35.95 38.86 1pma h PHE 133 CO -0.65 -0.18 0.05 -0.24 -0.60 0.00 0.00 178.31 176.68 1pma h VAL 134 N -0.02 1.21 -0.59 -0.55 3.04 -1.35 -0.02 116.25 117.97 1pma h VAL 134 Ca 0.19 -0.67 0.17 0.00 -1.01 0.00 0.00 66.70 65.38 1pma h VAL 134 Cb 0.30 1.27 -0.02 0.00 -2.01 0.00 0.00 31.29 30.83 1pma h VAL 134 CO -0.41 0.21 0.47 1.88 -1.01 0.00 0.00 177.57 178.71 1pma h TYR 135 N 0.14 0.00 0.47 3.17 0.05 -0.22 0.32 116.97 120.89 1pma h TYR 135 Ca 0.06 0.00 -0.02 0.00 0.05 0.00 0.00 58.73 58.82 1pma h TYR 135 Cb 0.28 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.02 1pma h TYR 135 CO 0.01 0.00 -0.23 0.78 -1.05 0.00 0.00 178.16 177.67 1pma h GLY 136 N 0.00 -0.66 1.68 3.88 0.00 0.14 -1.33 103.07 106.77 1pma h GLY 136 Ca 0.28 0.25 -0.03 0.00 0.00 0.00 0.00 47.33 47.82 1pma h GLY 136 CO -0.00 -0.24 0.03 -0.39 0.00 0.00 0.00 176.54 175.94 1pma h VAL 137 N -0.75 1.16 -0.35 4.60 -1.51 -0.36 -1.69 116.25 117.34 1pma h VAL 137 Ca -0.06 -0.58 -0.08 0.00 -1.23 0.00 0.00 66.70 64.75 1pma h VAL 137 Cb 0.49 0.91 -0.01 0.00 -2.13 0.00 0.00 31.29 30.54 1pma h VAL 137 CO 0.11 0.20 -0.07 -0.07 -1.23 0.00 0.00 177.57 176.50 1pma h LEU 138 N 0.40 0.68 -1.59 4.19 4.07 -0.52 0.20 115.31 122.75 1pma h LEU 138 Ca 0.09 -0.36 0.06 0.00 0.08 0.00 0.00 57.88 57.76 1pma h LEU 138 Cb 0.22 -0.18 -0.03 0.00 1.08 0.00 0.00 40.66 41.74 1pma h LEU 138 CO 0.00 0.88 0.37 -0.08 -1.08 0.00 0.00 178.44 178.53 1pma h GLU 139 N 0.47 0.49 0.19 1.13 4.57 -0.61 -0.18 114.58 120.64 1pma h GLU 139 Ca 0.09 -0.03 -0.31 0.00 -1.18 0.00 0.00 59.36 57.93 1pma h GLU 139 Cb 0.57 -0.11 0.02 0.00 -0.16 0.00 0.00 28.75 29.07 1pma h GLU 139 CO 0.03 0.32 -1.43 1.03 -1.18 0.00 0.00 179.01 177.79 1pma h SER 140 N 0.50 0.64 0.00 1.04 0.87 -0.43 -3.41 113.55 112.76 1pma h SER 140 Ca 0.24 -0.72 0.00 0.00 -1.23 0.00 0.00 61.79 60.08 1pma h SER 140 Cb 0.31 -0.21 0.00 0.00 -0.44 0.00 0.00 62.40 62.06 1pma h SER 140 CO -0.07 1.57 0.00 0.00 -0.53 0.00 0.00 176.83 177.80 1pma n GLN 141 N -3.62 1.05 -2.96 2.24 6.02 0.61 -5.06 117.38 115.67 1pma n GLN 141 Ca -0.15 -0.88 -0.38 0.00 -0.01 0.00 0.00 57.00 55.59 1pma n GLN 141 Cb 1.07 -0.85 -0.06 0.00 1.02 0.00 0.00 30.24 31.42 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 -0.44 3.77 -0.08 1.08 5.04 -0.10 -5.02 117.35 121.60 1pma s TYR 142 Ca 0.00 1.61 -0.04 0.00 -2.44 0.00 0.00 57.07 56.19 1pma s TYR 142 Cb 0.00 -2.77 0.04 0.00 0.35 0.00 0.00 41.96 39.58 1pma s TYR 142 CO 0.00 0.37 0.19 0.45 -1.34 0.00 0.00 175.55 175.22 1pma s SER 143 N -1.44 -0.18 0.00 4.32 0.15 -1.26 -4.99 113.70 110.29 1pma s SER 143 Ca 0.42 0.40 0.06 0.00 0.70 0.00 0.00 55.95 57.53 1pma s SER 143 Cb -0.20 0.31 0.31 0.00 -1.71 0.00 0.00 66.02 64.73 1pma s SER 143 CO 0.24 -0.14 1.09 -1.84 1.20 0.00 0.00 173.24 173.80 1pma n GLU 144 N 3.95 0.07 -1.07 5.44 -0.00 -1.26 -2.25 120.64 125.52 1pma n GLU 144 Ca -0.23 0.27 -0.11 0.00 -0.00 0.00 0.00 57.16 57.09 1pma n GLU 144 Cb 0.54 -1.50 0.27 0.00 -0.00 0.00 0.00 31.44 30.75 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 -1.34 3.27 -2.98 3.44 5.02 -1.26 -4.14 118.16 120.17 1pma n LYS 145 Ca 0.03 -3.08 -0.26 0.00 -2.02 0.00 0.00 58.31 52.98 1pma n LYS 145 Cb 0.06 -2.19 -0.01 0.00 -0.02 0.00 0.00 35.03 32.87 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 -3.09 3.53 0.27 1.97 -1.94 -0.95 -5.09 119.30 114.00 1pma s MET 146 Ca 0.55 -0.03 -0.03 0.00 -1.71 0.00 0.00 55.69 54.48 1pma s MET 146 Cb 0.45 -2.51 -0.05 0.00 2.01 0.00 0.00 34.83 34.74 1pma s MET 146 CO 0.12 -0.04 0.51 0.95 -0.01 0.00 0.00 175.02 176.56 1pma s THR 147 N -2.53 5.08 0.55 2.05 -4.23 -1.26 -4.71 115.64 110.59 1pma s THR 147 Ca 0.44 -0.13 0.29 0.00 -1.18 0.00 0.00 61.69 61.11 1pma s THR 147 Cb -0.10 -3.75 0.44 0.00 1.34 0.00 0.00 72.50 70.43 1pma s THR 147 CO 0.40 -0.32 1.92 1.62 -0.54 0.00 0.00 174.62 177.70 1pma h VAL 148 N 1.31 0.55 -0.01 2.29 3.04 -1.98 0.17 116.25 121.61 1pma h VAL 148 Ca -0.48 0.00 -0.18 0.00 -1.01 0.00 0.00 66.70 65.03 1pma h VAL 148 Cb 1.19 0.61 0.01 0.00 -2.01 0.00 0.00 31.29 31.10 1pma h VAL 148 CO 0.66 0.00 -0.69 -0.78 -1.01 0.00 0.00 177.57 175.75 1pma h ASP 149 N 0.00 0.63 -0.55 3.17 1.82 -2.00 -2.12 116.42 117.37 1pma h ASP 149 Ca 0.33 -0.74 0.03 0.00 -0.39 0.00 0.00 57.03 56.26 1pma h ASP 149 Cb 1.41 -0.19 -0.04 0.00 0.68 0.00 0.00 39.33 41.19 1pma h ASP 149 CO -0.00 1.29 0.32 -0.33 -1.61 0.00 0.00 179.24 178.90 1pma h GLU 150 N 0.03 0.60 0.08 0.28 5.08 -1.14 -2.72 114.58 116.79 1pma h GLU 150 Ca -0.08 -0.04 0.02 0.00 -1.00 0.00 0.00 59.36 58.26 1pma h GLU 150 Cb 1.38 -0.14 -0.05 0.00 0.50 0.00 0.00 28.75 30.45 1pma h GLU 150 CO 0.14 0.40 -0.43 0.78 -1.00 0.00 0.00 179.01 178.89 1pma h GLY 151 N 0.62 -0.86 0.24 -3.84 0.00 -0.94 -0.81 103.07 97.48 1pma h GLY 151 Ca 0.23 0.52 0.24 0.00 0.00 0.00 0.00 47.33 48.32 1pma h GLY 151 CO -0.12 -0.26 0.62 -0.24 0.00 0.00 0.00 176.54 176.54 1pma h VAL 152 N -0.64 0.60 0.06 4.60 3.04 -1.08 -0.39 116.25 122.43 1pma h VAL 152 Ca 0.03 -0.06 -0.00 0.00 -1.01 0.00 0.00 66.70 65.66 1pma h VAL 152 Cb 0.68 0.42 0.00 0.00 -2.01 0.00 0.00 31.29 30.38 1pma h VAL 152 CO -0.27 0.03 -0.03 0.44 -1.01 0.00 0.00 177.57 176.73 1pma h ASP 153 N 0.16 -0.06 -0.66 3.17 5.19 -1.03 -2.86 116.42 120.34 1pma h ASP 153 Ca 0.45 -0.58 0.14 0.00 -0.62 0.00 0.00 57.03 56.42 1pma h ASP 153 Cb 1.49 0.02 -0.12 0.00 0.18 0.00 0.00 39.33 40.90 1pma h ASP 153 CO -0.08 0.61 -0.09 0.25 -3.12 0.00 0.00 179.24 176.81 1pma h LEU 154 N -0.81 -0.47 0.47 1.55 5.85 0.23 0.44 115.31 122.58 1pma h LEU 154 Ca -0.01 0.18 -0.01 0.00 0.84 0.00 0.00 57.88 58.88 1pma h LEU 154 Cb 0.64 0.36 -0.02 0.00 0.37 0.00 0.00 40.66 42.01 1pma h LEU 154 CO 0.01 -0.18 -0.40 0.58 -0.34 0.00 0.00 178.44 178.11 1pma h VAL 155 N 0.05 0.20 -0.76 1.05 2.07 -1.29 0.17 116.25 117.73 1pma h VAL 155 Ca 0.33 0.00 0.16 0.00 0.82 0.00 0.00 66.70 68.02 1pma h VAL 155 Cb 0.53 0.20 -0.11 0.00 -1.52 0.00 0.00 31.29 30.39 1pma h VAL 155 CO -0.63 0.00 0.23 0.40 0.02 0.00 0.00 177.57 177.60 1pma h ILE 156 N -0.87 0.54 0.22 4.57 2.04 -0.98 0.21 117.51 123.25 1pma h ILE 156 Ca -0.05 -0.11 0.00 0.00 1.00 0.00 0.00 64.86 65.70 1pma h ILE 156 Cb 0.75 0.19 -0.02 0.00 -0.74 0.00 0.00 36.82 37.00 1pma h ILE 156 CO -0.02 0.06 -0.20 0.03 0.00 0.00 0.00 178.15 178.02 1pma h ARG 157 N 0.33 -0.43 -0.68 2.37 3.08 -0.58 0.11 114.38 118.57 1pma h ARG 157 Ca 0.43 0.03 0.13 0.00 0.07 0.00 0.00 59.98 60.64 1pma h ARG 157 Cb 0.74 0.10 -0.09 0.00 0.08 0.00 0.00 29.97 30.79 1pma h ARG 157 CO -0.49 -0.29 0.20 0.00 -1.07 0.00 0.00 179.97 178.32 1pma h ALA 158 N 0.27 0.87 -0.19 0.04 0.00 0.22 -0.58 119.26 119.90 1pma h ALA 158 Ca -0.00 0.13 -0.11 0.00 0.00 0.00 0.00 54.91 54.93 1pma h ALA 158 Cb 0.41 0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.36 1pma h ALA 158 CO -0.04 -0.28 -0.30 0.82 0.00 0.00 0.00 179.25 179.46 1pma h ILE 159 N 0.33 1.34 -0.09 0.00 2.04 -0.47 -2.85 117.51 117.80 1pma h ILE 159 Ca 0.37 -1.52 0.02 0.00 1.00 0.00 0.00 64.86 64.73 1pma h ILE 159 Cb 0.56 1.85 -0.00 0.00 -0.74 0.00 0.00 36.82 38.49 1pma h ILE 159 CO -0.42 0.46 0.06 0.28 0.00 0.00 0.00 178.15 178.54 1pma h SER 160 N 0.20 0.01 0.03 1.72 0.02 -0.09 0.35 113.55 115.80 1pma h SER 160 Ca 0.02 -0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.97 1pma h SER 160 Cb 0.88 -0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.42 1pma h SER 160 CO 0.07 0.00 -0.02 0.00 -1.14 0.00 0.00 176.83 175.75 1pma h ALA 161 N 1.96 -0.04 -0.42 3.77 0.00 -1.06 -3.04 119.26 120.43 1pma h ALA 161 Ca 0.04 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 1pma h ALA 161 Cb 0.16 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 1pma h ALA 161 CO -0.00 -0.29 0.23 0.00 0.00 0.00 0.00 179.25 179.19 1pma h ALA 162 N 0.44 1.62 -0.36 0.00 0.00 -1.12 -0.71 119.26 119.12 1pma h ALA 162 Ca -0.00 -0.07 0.03 0.00 0.00 0.00 0.00 54.91 54.87 1pma h ALA 162 Cb 0.47 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 1pma h ALA 162 CO 0.01 0.33 0.24 0.87 0.00 0.00 0.00 179.25 180.70 1pma h LYS 163 N 0.58 0.37 -0.12 0.00 1.57 -0.90 -0.40 116.57 117.67 1pma h LYS 163 Ca 0.15 -0.02 -0.09 0.00 -1.87 0.00 0.00 60.65 58.82 1pma h LYS 163 Cb 0.01 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.24 1pma h LYS 163 CO -0.03 0.24 -0.26 1.96 -0.57 0.00 0.00 179.45 180.80 1pma h GLN 164 N 0.38 0.40 -0.37 3.15 1.08 -1.02 -3.31 115.11 115.43 1pma h GLN 164 Ca 0.15 -0.26 0.00 0.00 -1.45 0.00 0.00 58.65 57.09 1pma h GLN 164 Cb 0.12 0.03 0.00 0.00 -0.05 0.00 0.00 27.48 27.58 1pma h GLN 164 CO -0.03 0.86 0.00 0.54 -0.95 0.00 0.00 178.83 179.25 1pma n ARG 165 N -4.45 2.25 -3.63 1.46 3.00 -1.10 -4.82 116.66 109.36 1pma n ARG 165 Ca -0.07 -1.90 -0.28 0.00 -0.01 0.00 0.00 57.85 55.59 1pma n ARG 165 Cb 0.45 -1.46 -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 -1.41 3.11 0.60 0.55 2.15 -0.18 -5.01 116.67 116.50 1pma s ASP 166 Ca 0.37 -1.03 0.32 0.00 0.43 0.00 0.00 52.55 52.63 1pma s ASP 166 Cb 0.21 -0.45 1.86 0.00 -0.30 0.00 0.00 42.92 44.24 1pma s ASP 166 CO 0.29 -0.38 2.22 0.77 -0.17 0.00 0.00 175.17 177.90 1pma h SER 167 N 8.33 0.00 1.29 -0.34 4.64 -1.86 -1.30 113.55 124.31 1pma h SER 167 Ca -0.17 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.15 1pma h SER 167 Cb 1.08 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.17 1pma h SER 167 CO 0.38 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 176.34 1pma h ALA 168 N 1.92 1.00 -2.63 5.18 0.00 -1.93 -3.44 119.26 119.35 1pma h ALA 168 Ca 0.02 0.00 -0.56 0.00 0.00 0.00 0.00 54.91 54.38 1pma h ALA 168 Cb 0.15 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 17.89 1pma h ALA 168 CO -0.00 0.00 -0.51 -1.12 0.00 0.00 0.00 179.25 177.62 1pma s SER 169 N -5.68 5.97 0.00 0.00 0.01 -0.49 -1.54 113.70 111.96 1pma s SER 169 Ca 0.03 0.04 0.00 0.00 1.31 0.00 0.00 55.95 57.33 1pma s SER 169 Cb 0.08 -1.70 0.00 0.00 0.21 0.00 0.00 66.02 64.61 1pma s SER 169 CO 0.57 0.06 0.00 0.61 0.41 0.00 0.00 173.24 174.89 1pma n GLY 170 N -0.44 -0.79 2.69 3.44 0.00 -1.26 -4.87 105.19 103.96 1pma n GLY 170 Ca -0.08 -1.22 0.00 0.00 0.00 0.00 0.00 46.02 44.72 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 -0.72 -2.30 3.69 -0.02 0.00 -1.26 -1.69 105.19 102.89 1pma n GLY 171 Ca 0.00 -1.55 -0.42 0.00 0.00 0.00 0.00 46.02 44.05 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 -0.58 4.14 0.14 1.61 -2.45 -1.26 -4.62 119.30 116.28 1pma s MET 172 Ca 0.00 2.57 -0.23 0.00 -1.25 0.00 0.00 55.69 56.78 1pma s MET 172 Cb 0.00 -3.57 -0.08 0.00 1.25 0.00 0.00 34.83 32.43 1pma s MET 172 CO 0.00 -0.83 0.70 -1.50 1.05 0.00 0.00 175.02 174.45 1pma s ILE 173 N 2.66 4.50 0.01 10.11 -1.16 -1.26 -3.65 121.20 132.41 1pma s ILE 173 Ca 0.80 1.52 0.03 0.00 -0.51 0.00 0.00 60.65 62.49 1pma s ILE 173 Cb -0.46 -4.04 -0.01 0.00 0.61 0.00 0.00 42.46 38.56 1pma s ILE 173 CO 0.36 0.52 -0.09 1.51 -2.81 0.00 0.00 174.94 174.42 1pma s ASP 174 N -1.16 1.08 0.16 4.50 1.47 0.35 -4.92 116.67 118.14 1pma s ASP 174 Ca 0.34 -0.27 0.06 0.00 1.18 0.00 0.00 52.55 53.86 1pma s ASP 174 Cb -0.22 -0.08 -0.04 0.00 -0.34 0.00 0.00 42.92 42.24 1pma s ASP 174 CO 0.24 0.04 -0.13 0.54 0.68 0.00 0.00 175.17 176.53 1pma s VAL 175 N -0.52 1.44 -0.07 2.11 0.11 -1.26 -1.15 120.40 121.06 1pma s VAL 175 Ca 0.01 -1.99 -0.05 0.00 -2.93 0.00 0.00 61.98 57.02 1pma s VAL 175 Cb -0.05 -1.81 0.02 0.00 -1.53 0.00 0.00 36.38 33.02 1pma s VAL 175 CO 0.00 -0.57 0.17 0.00 -3.33 0.00 0.00 175.10 171.38 1pma s ALA 176 N -2.75 -0.41 -0.06 1.54 0.00 0.54 -1.58 121.76 119.04 1pma s ALA 176 Ca 0.16 0.58 0.04 0.00 0.00 0.00 0.00 51.96 52.74 1pma s ALA 176 Cb -0.01 -0.35 -0.02 0.00 0.00 0.00 0.00 23.12 22.73 1pma s ALA 176 CO 0.04 -0.11 -0.17 0.54 0.00 0.00 0.00 175.76 176.06 1pma s VAL 177 N 0.43 2.81 -0.15 0.00 0.11 -0.31 -0.61 120.40 122.68 1pma s VAL 177 Ca -0.03 -0.80 0.01 0.00 -2.93 0.00 0.00 61.98 58.23 1pma s VAL 177 Cb -0.04 -2.09 0.02 0.00 -1.53 0.00 0.00 36.38 32.73 1pma s VAL 177 CO -0.02 0.58 -0.15 -0.51 -3.33 0.00 0.00 175.10 171.67 1pma s ILE 178 N -0.45 1.62 0.18 7.04 2.07 -0.03 -1.36 121.20 130.28 1pma s ILE 178 Ca 0.05 -0.67 0.08 0.00 -1.41 0.00 0.00 60.65 58.71 1pma s ILE 178 Cb -0.12 -1.51 -0.04 0.00 0.13 0.00 0.00 42.46 40.92 1pma s ILE 178 CO 0.02 0.47 -0.17 0.28 -1.91 0.00 0.00 174.94 173.63 1pma s THR 179 N 1.41 1.81 0.30 4.00 -1.32 -0.06 -2.13 115.64 119.64 1pma s THR 179 Ca 0.04 -2.05 0.13 0.00 -1.21 0.00 0.00 61.69 58.60 1pma s THR 179 Cb -0.13 -1.93 0.05 0.00 -1.51 0.00 0.00 72.50 68.98 1pma s THR 179 CO -0.10 -0.43 1.72 -0.09 -2.21 0.00 0.00 174.62 173.52 1pma h ARG 180 N 2.95 0.00 0.74 7.08 9.65 -1.85 0.84 114.38 133.79 1pma h ARG 180 Ca -0.40 0.00 -0.04 0.00 -1.10 0.00 0.00 59.98 58.44 1pma h ARG 180 Cb 1.21 0.00 0.01 0.00 -1.39 0.00 0.00 29.97 29.80 1pma h ARG 180 CO 0.56 0.47 -0.36 -0.22 2.80 0.00 0.00 179.97 183.22 1pma h LYS 181 N 0.00 -0.96 0.00 0.20 1.63 -1.96 -3.36 116.57 112.11 1pma h LYS 181 Ca -0.00 0.07 0.00 0.00 -0.85 0.00 0.00 60.65 59.86 1pma h LYS 181 Cb 0.88 0.22 0.00 0.00 -0.60 0.00 0.00 32.23 32.73 1pma h LYS 181 CO 0.06 -0.62 -1.60 -0.25 -3.45 0.00 0.00 179.45 173.59 1pma n ASP 182 N -5.46 0.48 0.00 4.20 8.00 -1.23 -5.11 116.55 117.43 1pma n ASP 182 Ca -0.13 -0.35 0.00 0.00 0.71 0.00 0.00 54.79 55.01 1pma n ASP 182 Cb 0.41 1.61 0.00 0.00 -0.02 0.00 0.00 41.12 43.12 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 1.37 -0.66 3.60 0.44 0.00 0.29 -4.78 105.19 105.45 1pma n GLY 183 Ca -0.01 -1.50 -0.43 0.00 0.00 0.00 0.00 46.02 44.08 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 3.08 -0.07 1.61 6.14 -1.15 -0.89 117.35 126.07 1pma s TYR 184 Ca 0.00 0.75 0.01 0.00 0.64 0.00 0.00 57.07 58.47 1pma s TYR 184 Cb 0.00 -3.64 0.02 0.00 0.42 0.00 0.00 41.96 38.75 1pma s TYR 184 CO 0.00 -0.83 -0.09 0.54 0.64 0.00 0.00 175.55 175.81 1pma s VAL 185 N 3.46 0.93 -0.14 3.14 0.11 -0.47 -5.00 120.40 122.44 1pma s VAL 185 Ca 0.38 -0.33 -0.16 0.00 -2.93 0.00 0.00 61.98 58.94 1pma s VAL 185 Cb -0.12 -0.90 -0.04 0.00 -1.53 0.00 0.00 36.38 33.79 1pma s VAL 185 CO 0.19 0.32 0.39 -1.58 -3.33 0.00 0.00 175.10 171.09 1pma s GLN 186 N 0.97 4.30 0.38 1.54 0.74 -1.26 -1.17 119.66 125.15 1pma s GLN 186 Ca -0.09 0.28 -0.27 0.00 0.05 0.00 0.00 55.36 55.33 1pma s GLN 186 Cb -0.15 -3.43 -0.09 0.00 1.10 0.00 0.00 33.01 30.44 1pma s GLN 186 CO 0.00 0.20 1.23 -0.51 -0.55 0.00 0.00 175.29 175.67 1pma s LEU 187 N 0.53 4.29 0.12 3.68 1.02 -0.61 -4.96 118.68 122.74 1pma s LEU 187 Ca 0.22 2.51 -0.31 0.00 0.02 0.00 0.00 54.13 56.57 1pma s LEU 187 Cb -0.14 -3.86 -0.10 0.00 0.02 0.00 0.00 46.19 42.10 1pma s LEU 187 CO 0.07 -0.65 1.81 -2.84 0.02 0.00 0.00 176.35 174.77 1pma s PRO 188 N -2.09 4.14 0.18 1.29 0.02 -1.26 -4.80 135.00 132.49 1pma s PRO 188 Ca 0.54 2.57 -0.21 0.00 0.02 0.00 0.00 61.00 63.91 1pma s PRO 188 Cb -0.35 -3.60 0.10 0.00 0.02 0.00 0.00 34.50 30.66 1pma s PRO 188 CO 0.45 -0.83 1.42 -2.37 -0.33 0.00 0.00 177.00 175.34 1pma n THR 189 N 4.75 -0.54 -0.04 0.99 5.66 -1.26 -0.43 114.28 123.41 1pma n THR 189 Ca 0.18 2.18 -0.10 0.00 -3.05 0.00 0.00 64.05 63.25 1pma n THR 189 Cb 0.38 -2.80 -0.04 0.00 -1.55 0.00 0.00 70.33 66.33 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 -1.15 -0.95 1.09 3.04 -1.99 0.16 116.42 116.63 1pma h ASP 190 Ca 0.24 0.17 0.19 0.00 -3.24 0.00 0.00 57.03 54.39 1pma h ASP 190 Cb 0.47 0.49 -0.08 0.00 -1.04 0.00 0.00 39.33 39.17 1pma h ASP 190 CO -0.89 -0.37 0.60 -0.61 -2.04 0.00 0.00 179.24 175.93 1pma h GLN 191 N -0.39 0.59 0.29 4.15 4.15 -1.12 0.32 115.11 123.11 1pma h GLN 191 Ca 0.11 -0.04 -0.01 0.00 0.77 0.00 0.00 58.65 59.48 1pma h GLN 191 Cb 0.57 -0.13 0.00 0.00 0.21 0.00 0.00 27.48 28.13 1pma h GLN 191 CO -0.43 0.39 -0.14 0.82 -1.93 0.00 0.00 178.83 177.55 1pma h ILE 192 N 0.61 0.70 -0.02 2.39 2.04 0.27 -1.79 117.51 121.72 1pma h ILE 192 Ca 0.51 -0.67 0.00 0.00 1.00 0.00 0.00 64.86 65.70 1pma h ILE 192 Cb 0.98 1.03 -0.00 0.00 -0.74 0.00 0.00 36.82 38.09 1pma h ILE 192 CO -0.26 0.13 0.02 1.05 0.00 0.00 0.00 178.15 179.09 1pma h GLU 193 N -0.78 0.00 0.39 2.37 4.11 0.62 -0.60 114.58 120.68 1pma h GLU 193 Ca -0.04 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.37 1pma h GLU 193 Cb 0.51 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.76 1pma h GLU 193 CO 0.07 0.00 -0.19 1.03 0.07 0.00 0.00 179.01 179.99 1pma h SER 194 N 0.00 -0.44 -0.93 3.06 0.87 -0.16 -2.10 113.55 113.85 1pma h SER 194 Ca 0.01 -0.11 0.11 0.00 -1.23 0.00 0.00 61.79 60.57 1pma h SER 194 Cb 0.05 0.11 -0.07 0.00 -0.44 0.00 0.00 62.40 62.05 1pma h SER 194 CO -0.00 -0.13 0.59 0.03 -0.53 0.00 0.00 176.83 176.79 1pma h ARG 195 N -0.77 0.87 0.41 2.24 3.08 -0.27 -0.62 114.38 119.31 1pma h ARG 195 Ca -0.05 -0.05 -0.01 0.00 0.07 0.00 0.00 59.98 59.94 1pma h ARG 195 Cb 0.52 -0.20 -0.03 0.00 0.08 0.00 0.00 29.97 30.35 1pma h ARG 195 CO 0.09 0.57 -0.45 0.82 -1.07 0.00 0.00 179.97 179.93 1pma h ILE 196 N 0.89 0.11 -0.24 2.04 2.04 -0.99 0.89 117.51 122.25 1pma h ILE 196 Ca 0.44 0.00 0.06 0.00 1.00 0.00 0.00 64.86 66.36 1pma h ILE 196 Cb 0.48 0.11 -0.06 0.00 -0.74 0.00 0.00 36.82 36.60 1pma h ILE 196 CO -0.21 0.00 -0.17 -0.09 0.00 0.00 0.00 178.15 177.69 1pma h ARG 197 N -0.88 -0.15 -0.33 2.37 2.43 -0.90 -0.81 114.38 116.11 1pma h ARG 197 Ca -0.04 0.01 0.07 0.00 -0.81 0.00 0.00 59.98 59.21 1pma h ARG 197 Cb 0.79 0.03 -0.07 0.00 -0.42 0.00 0.00 29.97 30.30 1pma h ARG 197 CO -0.09 -0.10 -0.14 -0.22 -1.51 0.00 0.00 179.97 177.91 1pma h LYS 198 N -0.16 -0.08 0.00 0.20 3.64 -0.89 0.26 116.57 119.54 1pma h LYS 198 Ca 0.13 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.52 1pma h LYS 198 Cb 0.36 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.20 1pma h LYS 198 CO -0.33 -0.05 0.00 1.28 -2.27 0.00 0.00 179.45 178.08 1pma n LEU 199 N -5.32 0.00 -0.33 5.20 4.77 0.29 -4.81 117.00 116.80 1pma n LEU 199 Ca 0.01 0.42 -0.04 0.00 -0.03 0.00 0.00 56.01 56.36 1pma n LEU 199 Cb 0.23 -0.42 -0.02 0.00 -2.33 0.00 0.00 43.42 40.89 1pma n LEU 199 CO 0.16 -0.27 -0.04 0.61 -1.33 0.00 0.00 177.39 176.51 1pma n GLY 200 N -0.45 0.71 0.00 -0.72 0.00 0.90 -5.02 105.19 100.61 1pma n GLY 200 Ca 0.03 -0.70 0.00 0.00 0.00 0.00 0.00 46.02 45.36 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 -0.48 0.00 -3.79 0.99 4.32 -0.43 -5.00 117.00 112.60 1pma n LEU 201 Ca -0.04 0.00 -0.13 0.00 -0.02 0.00 0.00 56.01 55.82 1pma n LEU 201 Cb 0.16 0.00 -0.10 0.00 -1.62 0.00 0.00 43.42 41.86 1pma n LEU 201 CO 0.06 -0.36 -0.04 -0.51 -1.22 0.00 0.00 177.39 175.33 1pma s ILE 202 N -0.69 0.04 0.00 -0.08 2.07 -1.26 -4.68 121.20 116.60 1pma s ILE 202 Ca 0.00 -0.35 0.00 0.00 -1.41 0.00 0.00 60.65 58.89 1pma s ILE 202 Cb 0.00 -0.50 0.00 0.00 0.13 0.00 0.00 42.46 42.09 1pma s ILE 202 CO 0.00 -0.19 0.00 -0.11 -1.91 0.00 0.00 174.94 172.73