#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 0.07 0.17 1.09 -1.32 -1.26 0.11 115.64 114.50 1pma s THR 2 Ca 0.00 0.14 0.07 0.00 -1.21 0.00 0.00 61.69 60.70 1pma s THR 2 Cb 0.00 -0.18 -0.04 0.00 -1.51 0.00 0.00 72.50 70.77 1pma s THR 2 CO 0.00 0.12 -0.15 0.42 -2.21 0.00 0.00 174.62 172.79 1pma s THR 3 N 1.01 1.64 -0.17 5.08 -4.23 -0.24 -2.73 115.64 116.01 1pma s THR 3 Ca -0.09 -2.02 -0.23 0.00 -1.18 0.00 0.00 61.69 58.16 1pma s THR 3 Cb -0.13 -1.87 0.06 0.00 1.34 0.00 0.00 72.50 71.90 1pma s THR 3 CO -0.02 -0.49 0.60 0.54 -0.54 0.00 0.00 174.62 174.71 1pma s VAL 4 N -2.57 0.01 -0.00 2.29 0.11 -0.44 -1.39 120.40 118.40 1pma s VAL 4 Ca 0.17 -0.04 0.06 0.00 -2.93 0.00 0.00 61.98 59.24 1pma s VAL 4 Cb -0.03 -0.87 -0.02 0.00 -1.53 0.00 0.00 36.38 33.94 1pma s VAL 4 CO 0.06 -0.02 -0.18 -0.83 -3.33 0.00 0.00 175.10 170.79 1pma s GLY 5 N -0.21 0.89 -0.01 6.54 0.00 0.72 -1.70 107.32 113.55 1pma s GLY 5 Ca -0.04 -0.80 -0.00 0.00 0.00 0.00 0.00 44.72 43.88 1pma s GLY 5 CO 0.03 -0.68 0.02 -1.50 0.00 0.00 0.00 173.10 170.98 1pma s ILE 6 N -0.48 -0.04 -0.13 0.90 2.07 -0.13 -0.48 121.20 122.91 1pma s ILE 6 Ca 0.07 0.15 -0.10 0.00 -1.41 0.00 0.00 60.65 59.36 1pma s ILE 6 Cb -0.07 -0.06 -0.05 0.00 0.13 0.00 0.00 42.46 42.41 1pma s ILE 6 CO -0.00 0.06 0.20 -0.89 -1.91 0.00 0.00 174.94 172.39 1pma s THR 7 N 0.74 5.39 -0.18 4.00 2.01 0.01 -1.17 115.64 126.45 1pma s THR 7 Ca -0.06 0.34 -0.24 0.00 0.31 0.00 0.00 61.69 62.03 1pma s THR 7 Cb -0.09 -3.49 0.06 0.00 0.01 0.00 0.00 72.50 68.99 1pma s THR 7 CO -0.02 0.53 0.64 -1.48 -0.69 0.00 0.00 174.62 173.60 1pma s LEU 8 N -0.42 -0.47 0.00 4.42 0.05 -0.95 -4.87 118.68 116.43 1pma s LEU 8 Ca 0.14 1.10 0.00 0.00 0.05 0.00 0.00 54.13 55.42 1pma s LEU 8 Cb -0.12 2.27 0.00 0.00 -2.05 0.00 0.00 46.19 46.29 1pma s LEU 8 CO 0.04 -0.34 0.00 1.17 -0.55 0.00 0.00 176.35 176.67 1pma n LYS 9 N 2.18 0.00 -2.55 1.48 3.00 -1.26 -1.09 118.16 119.92 1pma n LYS 9 Ca -0.16 0.00 -0.15 0.00 -0.00 0.00 0.00 58.31 58.01 1pma n LYS 9 Cb 0.56 0.00 0.02 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 0.17 2.93 -3.64 3.14 8.00 -1.26 -4.84 116.55 121.05 1pma n ASP 10 Ca 0.00 -3.03 -0.01 0.00 0.71 0.00 0.00 54.79 52.46 1pma n ASP 10 Cb 0.00 -0.47 -0.01 0.00 -0.02 0.00 0.00 41.12 40.62 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 -3.44 -2.02 -0.02 2.24 0.00 -0.25 -4.40 121.76 113.86 1pma s ALA 11 Ca 0.37 0.71 0.01 0.00 0.00 0.00 0.00 51.96 53.05 1pma s ALA 11 Cb 0.41 0.37 0.01 0.00 0.00 0.00 0.00 23.12 23.90 1pma s ALA 11 CO -0.04 -0.95 -0.04 0.54 0.00 0.00 0.00 175.76 175.27 1pma s VAL 12 N -2.71 0.37 0.02 0.00 0.11 -0.66 -2.25 120.40 115.28 1pma s VAL 12 Ca 0.12 -0.13 0.07 0.00 -2.93 0.00 0.00 61.98 59.11 1pma s VAL 12 Cb 0.02 -0.36 -0.03 0.00 -1.53 0.00 0.00 36.38 34.48 1pma s VAL 12 CO -0.03 0.14 -0.21 -0.63 -3.33 0.00 0.00 175.10 171.04 1pma s ILE 13 N 0.32 2.54 -0.01 7.04 1.01 -0.32 -1.13 121.20 130.66 1pma s ILE 13 Ca -0.03 -1.14 0.01 0.00 0.00 0.00 0.00 60.65 59.48 1pma s ILE 13 Cb -0.07 -2.01 0.00 0.00 0.01 0.00 0.00 42.46 40.40 1pma s ILE 13 CO -0.00 0.43 -0.02 -0.04 0.00 0.00 0.00 174.94 175.30 1pma s MET 14 N -1.12 0.27 0.08 2.79 -1.94 -0.35 -0.95 119.30 118.08 1pma s MET 14 Ca 0.13 -0.07 -0.13 0.00 -1.71 0.00 0.00 55.69 53.90 1pma s MET 14 Cb -0.10 -0.30 0.02 0.00 2.01 0.00 0.00 34.83 36.45 1pma s MET 14 CO 0.03 0.02 0.31 0.00 -0.01 0.00 0.00 175.02 175.36 1pma s ALA 15 N 0.19 -0.66 0.18 3.03 0.00 -0.69 -1.12 121.76 122.69 1pma s ALA 15 Ca -0.02 -0.16 -0.16 0.00 0.00 0.00 0.00 51.96 51.63 1pma s ALA 15 Cb -0.04 0.48 0.02 0.00 0.00 0.00 0.00 23.12 23.58 1pma s ALA 15 CO -0.00 -0.51 0.48 0.95 0.00 0.00 0.00 175.76 176.67 1pma s THR 16 N -3.27 0.04 0.00 0.00 -4.23 -0.62 -1.33 115.64 106.23 1pma s THR 16 Ca 0.00 -0.85 0.00 0.00 -1.18 0.00 0.00 61.69 59.66 1pma s THR 16 Cb 0.01 -1.58 0.00 0.00 1.34 0.00 0.00 72.50 72.27 1pma s THR 16 CO -0.08 -0.16 0.00 -1.84 -0.54 0.00 0.00 174.62 172.00 1pma n GLU 17 N -0.31 3.56 -1.18 3.99 -0.00 -1.10 -0.50 120.64 125.09 1pma n GLU 17 Ca -0.10 0.00 -0.06 0.00 -0.00 0.00 0.00 57.16 56.99 1pma n GLU 17 Cb 0.63 0.00 -0.05 0.00 -0.00 0.00 0.00 31.44 32.02 1pma n GLU 17 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.13 180.02 1pma n ARG 18 N 0.00 0.15 -3.12 3.44 1.85 -0.99 -4.60 116.66 113.39 1pma n ARG 18 Ca 0.00 -1.02 -0.39 0.00 -1.00 0.00 0.00 57.85 55.44 1pma n ARG 18 Cb 0.00 0.49 -0.05 0.00 -1.05 0.00 0.00 32.46 31.85 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 0.01 4.39 -0.15 2.89 3.52 -1.07 -0.37 118.95 128.18 1pma s ARG 19 Ca 0.01 0.80 0.01 0.00 -0.13 0.00 0.00 55.73 56.42 1pma s ARG 19 Cb 0.05 -3.40 0.00 0.00 -1.56 0.00 0.00 34.95 30.04 1pma s ARG 19 CO -0.01 0.20 -0.17 0.54 -0.81 0.00 0.00 175.30 175.05 1pma s VAL 20 N 0.36 2.52 0.23 7.11 0.11 0.42 -4.66 120.40 126.48 1pma s VAL 20 Ca 0.34 -0.82 0.08 0.00 -2.93 0.00 0.00 61.98 58.65 1pma s VAL 20 Cb -0.18 -2.06 -0.05 0.00 -1.53 0.00 0.00 36.38 32.57 1pma s VAL 20 CO 0.17 0.52 -0.12 0.28 -3.33 0.00 0.00 175.10 172.62 1pma s THR 21 N 0.85 1.73 -0.48 5.04 -1.32 -1.26 -1.42 115.64 118.78 1pma s THR 21 Ca -0.05 -2.20 0.03 0.00 -1.21 0.00 0.00 61.69 58.26 1pma s THR 21 Cb -0.15 -2.16 0.13 0.00 -1.51 0.00 0.00 72.50 68.81 1pma s THR 21 CO -0.01 -0.51 0.25 -0.32 -2.21 0.00 0.00 174.62 171.81 1pma s MET 22 N -3.66 1.65 5.28 7.08 -2.45 -0.23 -4.90 119.30 122.07 1pma s MET 22 Ca 0.25 -2.33 0.00 0.00 -1.25 0.00 0.00 55.69 52.35 1pma s MET 22 Cb 0.00 -2.86 0.00 0.00 1.25 0.00 0.00 34.83 33.22 1pma s MET 22 CO 0.08 -1.13 0.00 0.39 1.05 0.00 0.00 175.02 175.41 1pma n GLU 23 N 3.32 0.00 -0.00 4.11 1.02 -1.26 -1.81 120.64 126.02 1pma n GLU 23 Ca 0.07 0.00 0.08 0.00 -0.02 0.00 0.00 57.16 57.28 1pma n GLU 23 Cb 0.33 0.00 -0.11 0.00 -0.02 0.00 0.00 31.44 31.64 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 9.46 1.05 -4.53 1.62 6.94 -1.26 -4.86 115.26 123.69 1pma n ASN 24 Ca 0.00 -0.40 -0.42 0.00 -0.02 0.00 0.00 54.58 53.74 1pma n ASN 24 Cb 0.00 1.39 -0.03 0.00 -2.36 0.00 0.00 39.78 38.78 1pma n ASN 24 CO 0.00 0.00 0.00 0.12 -1.03 0.00 0.00 177.26 176.35 1pma s PHE 25 N -2.82 2.39 -0.73 -2.53 5.36 -0.75 -4.95 117.98 113.96 1pma s PHE 25 Ca -0.00 -0.16 -0.27 0.00 -0.96 0.00 0.00 56.93 55.54 1pma s PHE 25 Cb 0.11 -4.54 0.02 0.00 -0.34 0.00 0.00 43.02 38.27 1pma s PHE 25 CO 0.65 -1.95 1.45 -1.50 -1.46 0.00 0.00 175.22 172.41 1pma s ILE 26 N 5.28 3.64 -0.01 3.12 -1.16 -1.26 -1.07 121.20 129.73 1pma s ILE 26 Ca 0.32 0.28 0.12 0.00 -0.51 0.00 0.00 60.65 60.85 1pma s ILE 26 Cb -0.10 -4.67 -0.22 0.00 0.61 0.00 0.00 42.46 38.08 1pma s ILE 26 CO 0.14 -1.61 0.79 -0.03 -2.81 0.00 0.00 174.94 171.42 1pma h MET 27 N 11.26 0.00 -3.99 3.50 1.85 -1.84 -3.45 114.93 122.25 1pma h MET 27 Ca -0.24 0.00 -0.54 0.00 -0.61 0.00 0.00 59.70 58.31 1pma h MET 27 Cb 1.07 0.00 -0.38 0.00 0.43 0.00 0.00 31.60 32.72 1pma h MET 27 CO 1.27 0.59 -0.78 -1.01 -0.40 0.00 0.00 176.91 176.58 1pma s HIS 28 N -2.63 1.55 0.19 1.39 3.76 -0.51 -5.01 115.29 114.04 1pma s HIS 28 Ca -0.03 -1.06 0.01 0.00 -0.15 0.00 0.00 55.06 53.82 1pma s HIS 28 Cb 0.08 -1.24 0.11 0.00 1.11 0.00 0.00 32.58 32.65 1pma s HIS 28 CO 0.82 -0.62 1.47 0.87 -0.85 0.00 0.00 174.74 176.44 1pma h LYS 29 N 8.14 0.34 -3.19 1.40 1.57 -1.85 0.12 116.57 123.11 1pma h LYS 29 Ca -0.21 -0.27 -0.63 0.00 -1.87 0.00 0.00 60.65 57.67 1pma h LYS 29 Cb 1.11 0.05 -0.41 0.00 0.08 0.00 0.00 32.23 33.06 1pma h LYS 29 CO 0.37 0.90 -0.56 -0.80 -0.57 0.00 0.00 179.45 178.80 1pma s ASN 30 N -6.94 4.76 0.63 0.86 -0.87 -1.26 -4.12 114.94 108.01 1pma s ASN 30 Ca -0.05 -3.60 0.07 0.00 -1.57 0.00 0.00 52.86 47.71 1pma s ASN 30 Cb 0.11 -1.66 0.11 0.00 -0.02 0.00 0.00 41.25 39.79 1pma s ASN 30 CO 0.83 -0.13 0.87 -0.83 -2.57 0.00 0.00 177.10 175.26 1pma s GLY 31 N -1.03 1.72 -0.06 0.66 0.00 0.50 -5.04 107.32 104.07 1pma s GLY 31 Ca 0.23 -2.08 0.03 0.00 0.00 0.00 0.00 44.72 42.90 1pma s GLY 31 CO -0.12 -1.56 -0.15 1.25 0.00 0.00 0.00 173.10 172.53 1pma s LYS 32 N -4.84 1.83 0.00 2.90 2.20 -1.26 -4.78 119.74 115.79 1pma s LYS 32 Ca 0.64 -0.52 0.00 0.00 -0.36 0.00 0.00 55.97 55.73 1pma s LYS 32 Cb -0.05 -1.52 0.00 0.00 -1.51 0.00 0.00 37.83 34.75 1pma s LYS 32 CO 0.41 0.12 0.53 1.63 -0.36 0.00 0.00 175.35 177.68 1pma n LYS 33 N 3.53 0.51 -4.17 4.03 5.02 -1.26 -4.97 118.16 120.85 1pma n LYS 33 Ca -0.21 -0.67 -0.33 0.00 -2.02 0.00 0.00 58.31 55.09 1pma n LYS 33 Cb 0.52 -0.80 -0.16 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 -0.28 2.21 -0.00 -0.35 2.96 -1.26 -2.18 118.68 119.78 1pma s LEU 34 Ca 0.00 -0.62 0.04 0.00 -0.22 0.00 0.00 54.13 53.34 1pma s LEU 34 Cb 0.00 -1.50 -0.01 0.00 0.50 0.00 0.00 46.19 45.18 1pma s LEU 34 CO 0.00 0.01 -0.13 -0.36 -1.32 0.00 0.00 176.35 174.55 1pma s PHE 35 N 1.24 1.19 0.35 5.38 0.08 -0.46 -5.00 117.98 120.76 1pma s PHE 35 Ca 0.04 -0.24 -0.20 0.00 0.12 0.00 0.00 56.93 56.65 1pma s PHE 35 Cb -0.13 -0.76 -0.10 0.00 -0.57 0.00 0.00 43.02 41.46 1pma s PHE 35 CO -0.11 -0.01 0.85 -1.14 -0.10 0.00 0.00 175.22 174.71 1pma s GLN 36 N -0.40 4.21 0.00 0.44 0.74 -1.26 -0.45 119.66 122.94 1pma s GLN 36 Ca 0.05 0.97 0.00 0.00 0.05 0.00 0.00 55.36 56.42 1pma s GLN 36 Cb -0.05 -2.45 0.00 0.00 1.10 0.00 0.00 33.01 31.61 1pma s GLN 36 CO -0.00 0.13 0.02 1.51 -0.55 0.00 0.00 175.29 176.40 1pma n ILE 37 N -0.19 0.00 -3.63 -2.34 3.06 0.49 -4.85 119.36 111.89 1pma n ILE 37 Ca 0.04 -0.32 -0.03 0.00 -2.50 0.00 0.00 62.75 59.94 1pma n ILE 37 Cb 0.53 1.02 -0.03 0.00 0.54 0.00 0.00 39.64 41.71 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 -0.60 -0.05 0.18 9.51 2.15 -1.07 -4.68 116.67 122.12 1pma s ASP 38 Ca 0.00 0.02 -0.08 0.00 0.43 0.00 0.00 52.55 52.92 1pma s ASP 38 Cb 0.00 0.05 0.27 0.00 -0.30 0.00 0.00 42.92 42.94 1pma s ASP 38 CO 0.00 -0.08 1.08 0.35 -0.17 0.00 0.00 175.17 176.35 1pma n THR 39 N 0.11 -0.31 -1.71 1.71 -2.24 -1.26 -0.66 114.28 109.92 1pma n THR 39 Ca 0.03 1.59 -0.23 0.00 -2.27 0.00 0.00 64.05 63.18 1pma n THR 39 Cb 0.57 -2.17 0.08 0.00 -2.10 0.00 0.00 70.33 66.71 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 -5.09 2.51 -3.53 4.78 4.01 -1.26 -2.99 117.16 115.59 1pma n TYR 40 Ca 0.10 -2.31 -0.17 0.00 -0.16 0.00 0.00 57.90 55.36 1pma n TYR 40 Cb 0.32 -0.68 -0.06 0.00 -0.31 0.00 0.00 39.34 38.61 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 -4.36 0.00 0.18 -0.72 -1.32 0.17 -2.00 115.64 107.58 1pma s THR 41 Ca 0.53 0.00 -0.01 0.00 -1.21 0.00 0.00 61.69 61.01 1pma s THR 41 Cb 0.44 -1.00 -0.04 0.00 -1.51 0.00 0.00 72.50 70.39 1pma s THR 41 CO 0.02 0.00 0.09 -0.83 -2.21 0.00 0.00 174.62 171.69 1pma s GLY 42 N -1.16 1.28 -0.02 6.08 0.00 -0.11 -0.38 107.32 113.00 1pma s GLY 42 Ca -0.10 -1.62 -0.06 0.00 0.00 0.00 0.00 44.72 42.95 1pma s GLY 42 CO 0.09 -1.41 0.14 -0.29 0.00 0.00 0.00 173.10 171.62 1pma s MET 43 N -4.09 0.33 -0.18 2.90 1.75 0.40 -1.10 119.30 119.31 1pma s MET 43 Ca 0.32 -0.13 -0.00 0.00 -1.25 0.00 0.00 55.69 54.63 1pma s MET 43 Cb 0.07 0.14 0.01 0.00 2.84 0.00 0.00 34.83 37.89 1pma s MET 43 CO 0.08 -0.07 -0.15 0.95 -0.65 0.00 0.00 175.02 175.18 1pma s THR 44 N -0.70 2.52 0.20 10.11 -4.23 0.55 -1.35 115.64 122.73 1pma s THR 44 Ca -0.08 -0.79 -0.18 0.00 -1.18 0.00 0.00 61.69 59.45 1pma s THR 44 Cb -0.05 -2.08 -0.08 0.00 1.34 0.00 0.00 72.50 71.63 1pma s THR 44 CO 0.01 0.51 0.67 -0.63 -0.54 0.00 0.00 174.62 174.64 1pma s ILE 45 N 1.17 4.65 -0.30 2.99 1.01 -0.93 -2.39 121.20 127.41 1pma s ILE 45 Ca 0.02 1.16 -0.12 0.00 0.00 0.00 0.00 60.65 61.71 1pma s ILE 45 Cb -0.14 -3.83 0.12 0.00 0.01 0.00 0.00 42.46 38.63 1pma s ILE 45 CO -0.07 0.23 0.70 0.00 0.00 0.00 0.00 174.94 175.80 1pma s ALA 46 N -1.49 -2.09 0.00 9.38 0.00 -1.10 -4.90 121.76 121.56 1pma s ALA 46 Ca 0.41 2.33 0.00 0.00 0.00 0.00 0.00 51.96 54.70 1pma s ALA 46 Cb -0.16 -1.73 0.00 0.00 0.00 0.00 0.00 23.12 21.23 1pma s ALA 46 CO 0.20 -0.79 0.00 0.41 0.00 0.00 0.00 175.76 175.58 1pma n GLY 47 N 5.10 0.36 3.61 0.00 0.00 -1.26 -0.34 105.19 112.66 1pma n GLY 47 Ca -0.14 -1.60 -0.43 0.00 0.00 0.00 0.00 46.02 43.86 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 3.64 0.15 0.99 2.96 -0.81 -4.92 118.68 120.70 1pma s LEU 48 Ca 0.00 1.12 -0.31 0.00 -0.22 0.00 0.00 54.13 54.72 1pma s LEU 48 Cb 0.00 -3.53 -0.07 0.00 0.50 0.00 0.00 46.19 43.08 1pma s LEU 48 CO 0.00 -1.44 1.54 -0.37 -1.32 0.00 0.00 176.35 174.76 1pma h VAL 49 N 6.46 0.00 -0.99 1.68 -1.51 -1.96 -1.84 116.25 118.09 1pma h VAL 49 Ca -0.30 0.00 0.12 0.00 -1.23 0.00 0.00 66.70 65.29 1pma h VAL 49 Cb 1.13 0.00 -0.14 0.00 -2.13 0.00 0.00 31.29 30.15 1pma h VAL 49 CO 1.05 0.00 -0.50 1.23 -1.23 0.00 0.00 177.57 178.12 1pma h GLY 50 N -0.10 -0.43 0.96 5.19 0.00 -1.98 -0.43 103.07 106.29 1pma h GLY 50 Ca 0.14 0.68 -0.00 0.00 0.00 0.00 0.00 47.33 48.15 1pma h GLY 50 CO -0.86 -0.06 0.11 -0.55 0.00 0.00 0.00 176.54 175.18 1pma h ASP 51 N -0.00 0.22 -0.10 0.19 3.32 -1.74 -2.93 116.42 115.37 1pma h ASP 51 Ca 0.24 -0.06 0.04 0.00 0.02 0.00 0.00 57.03 57.28 1pma h ASP 51 Cb 0.50 -0.05 -0.06 0.00 0.22 0.00 0.00 39.33 39.93 1pma h ASP 51 CO -0.96 0.21 -0.29 0.00 -1.72 0.00 0.00 179.24 176.48 1pma h ALA 52 N 1.02 -0.34 0.32 3.45 0.00 -0.45 -1.04 119.26 122.21 1pma h ALA 52 Ca 0.06 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1pma h ALA 52 Cb 0.03 0.55 -0.03 0.00 0.00 0.00 0.00 17.79 18.34 1pma h ALA 52 CO -0.01 -0.77 -0.39 1.96 0.00 0.00 0.00 179.25 180.04 1pma h GLN 53 N -0.38 -0.72 -0.85 0.00 4.20 -1.05 0.00 115.11 116.31 1pma h GLN 53 Ca 0.09 0.05 0.10 0.00 0.06 0.00 0.00 58.65 58.95 1pma h GLN 53 Cb 0.52 0.16 -0.06 0.00 0.30 0.00 0.00 27.48 28.40 1pma h GLN 53 CO -0.31 -0.48 0.55 -0.24 -0.67 0.00 0.00 178.83 177.68 1pma h VAL 54 N -0.75 0.94 -0.39 -0.54 3.04 -1.42 0.17 116.25 117.31 1pma h VAL 54 Ca -0.02 -0.27 -0.05 0.00 -1.01 0.00 0.00 66.70 65.35 1pma h VAL 54 Cb 0.69 0.08 -0.02 0.00 -2.01 0.00 0.00 31.29 30.03 1pma h VAL 54 CO -0.11 0.14 0.03 0.25 -1.01 0.00 0.00 177.57 176.87 1pma h LEU 55 N 0.79 0.56 -0.24 3.16 5.85 -0.39 -0.34 115.31 124.70 1pma h LEU 55 Ca 0.40 -0.11 -0.07 0.00 0.84 0.00 0.00 57.88 58.94 1pma h LEU 55 Cb 0.46 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.34 1pma h LEU 55 CO -0.16 0.62 -0.14 1.62 -0.34 0.00 0.00 178.44 180.03 1pma h VAL 56 N 0.58 1.31 -0.08 1.05 3.04 0.12 -1.69 116.25 120.58 1pma h VAL 56 Ca 0.12 -1.24 0.01 0.00 -1.01 0.00 0.00 66.70 64.58 1pma h VAL 56 Cb 0.33 1.60 -0.01 0.00 -2.01 0.00 0.00 31.29 31.20 1pma h VAL 56 CO 0.01 0.39 0.01 0.03 -1.01 0.00 0.00 177.57 177.00 1pma h ARG 57 N 0.24 0.05 0.33 4.17 3.08 -0.45 0.11 114.38 121.91 1pma h ARG 57 Ca 0.05 -0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.09 1pma h ARG 57 Cb 0.66 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.68 1pma h ARG 57 CO 0.04 0.03 -0.37 1.88 -1.07 0.00 0.00 179.97 180.48 1pma h TYR 58 N 0.05 -1.04 -0.98 3.04 -1.99 -1.07 -1.94 116.97 113.04 1pma h TYR 58 Ca 0.03 0.01 0.35 0.00 2.00 0.00 0.00 58.73 61.12 1pma h TYR 58 Cb 0.03 0.41 -0.17 0.00 2.00 0.00 0.00 36.73 38.99 1pma h TYR 58 CO -0.10 -0.48 0.39 1.98 -0.00 0.00 0.00 178.16 179.94 1pma h MET 59 N -0.71 0.08 0.59 4.88 4.05 -0.98 0.18 114.93 123.02 1pma h MET 59 Ca -0.04 -0.01 -0.03 0.00 -0.28 0.00 0.00 59.70 59.34 1pma h MET 59 Cb 0.63 -0.02 0.01 0.00 -0.80 0.00 0.00 31.60 31.41 1pma h MET 59 CO -0.07 0.06 -0.28 -0.22 0.23 0.00 0.00 176.91 176.63 1pma h LYS 60 N 0.09 -0.77 -0.10 0.39 3.64 -0.61 -2.38 116.57 116.84 1pma h LYS 60 Ca 0.74 0.05 0.03 0.00 -1.27 0.00 0.00 60.65 60.19 1pma h LYS 60 Cb 1.77 0.17 -0.03 0.00 -0.41 0.00 0.00 32.23 33.74 1pma h LYS 60 CO -0.76 -0.51 -0.06 0.00 -2.27 0.00 0.00 179.45 175.84 1pma h ALA 61 N -1.61 0.02 -0.93 5.00 0.00 -0.23 -1.78 119.26 119.73 1pma h ALA 61 Ca -0.08 0.04 0.16 0.00 0.00 0.00 0.00 54.91 55.03 1pma h ALA 61 Cb 0.61 0.14 -0.08 0.00 0.00 0.00 0.00 17.79 18.46 1pma h ALA 61 CO 0.13 -0.52 0.59 1.49 0.00 0.00 0.00 179.25 180.94 1pma h GLU 62 N -0.07 0.66 -0.05 0.00 4.57 -0.82 -1.23 114.58 117.65 1pma h GLU 62 Ca 0.06 -0.04 -0.02 0.00 -1.18 0.00 0.00 59.36 58.18 1pma h GLU 62 Cb 0.15 -0.15 -0.00 0.00 -0.16 0.00 0.00 28.75 28.59 1pma h GLU 62 CO -0.14 0.44 -0.04 -0.07 -1.18 0.00 0.00 179.01 178.02 1pma h LEU 63 N 0.68 0.11 -0.38 1.64 4.07 -0.80 -2.59 115.31 118.04 1pma h LEU 63 Ca 0.48 -0.47 0.07 0.00 0.08 0.00 0.00 57.88 58.04 1pma h LEU 63 Cb 0.82 -0.03 -0.06 0.00 1.08 0.00 0.00 40.66 42.47 1pma h LEU 63 CO -0.24 0.56 0.03 -0.08 -1.08 0.00 0.00 178.44 177.63 1pma h GLU 64 N -0.33 0.13 -0.24 1.13 4.81 -0.53 -1.47 114.58 118.09 1pma h GLU 64 Ca 0.01 -0.01 0.04 0.00 -0.13 0.00 0.00 59.36 59.27 1pma h GLU 64 Cb 0.53 -0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.84 1pma h GLU 64 CO 0.01 0.09 0.02 1.25 -0.73 0.00 0.00 179.01 179.65 1pma h LEU 65 N 0.14 -0.05 -0.36 1.64 5.85 -1.29 -2.17 115.31 119.07 1pma h LEU 65 Ca 0.19 0.05 0.05 0.00 0.84 0.00 0.00 57.88 59.01 1pma h LEU 65 Cb 0.25 0.07 -0.05 0.00 0.37 0.00 0.00 40.66 41.31 1pma h LEU 65 CO -0.29 0.01 0.07 0.22 -0.34 0.00 0.00 178.44 178.11 1pma h TYR 66 N 0.10 0.12 -0.91 1.25 5.03 -1.01 -1.49 116.97 120.06 1pma h TYR 66 Ca 0.11 0.02 0.07 0.00 2.58 0.00 0.00 58.73 61.52 1pma h TYR 66 Cb 0.13 -0.00 -0.06 0.00 1.55 0.00 0.00 36.73 38.34 1pma h TYR 66 CO -0.17 0.02 0.59 -0.09 -1.32 0.00 0.00 178.16 177.19 1pma h ARG 67 N 0.20 0.98 0.01 1.82 2.43 -0.71 0.54 114.38 119.64 1pma h ARG 67 Ca 0.17 -0.06 -0.00 0.00 -0.81 0.00 0.00 59.98 59.28 1pma h ARG 67 Cb 0.19 -0.22 0.00 0.00 -0.42 0.00 0.00 29.97 29.52 1pma h ARG 67 CO -0.22 0.65 -0.01 -0.07 -1.51 0.00 0.00 179.97 178.81 1pma h LEU 68 N 1.01 -0.02 -0.86 3.80 4.07 -0.98 -1.50 115.31 120.83 1pma h LEU 68 Ca 0.40 -0.46 -0.10 0.00 0.08 0.00 0.00 57.88 57.80 1pma h LEU 68 Cb 0.25 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 41.98 1pma h LEU 68 CO -0.16 0.45 -0.28 1.56 -1.08 0.00 0.00 178.44 178.93 1pma h GLN 69 N -0.49 0.52 -0.01 1.13 4.20 -0.93 -3.23 115.11 116.29 1pma h GLN 69 Ca -0.00 -0.21 0.00 0.00 0.06 0.00 0.00 58.65 58.50 1pma h GLN 69 Cb 0.47 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.23 1pma h GLN 69 CO 0.00 0.75 -0.55 0.54 -0.67 0.00 0.00 178.83 178.91 1pma n ARG 70 N -4.10 0.91 -1.39 1.46 1.74 0.15 -4.98 116.66 110.45 1pma n ARG 70 Ca -0.01 -0.73 -0.13 0.00 -0.77 0.00 0.00 57.85 56.21 1pma n ARG 70 Cb 0.43 -1.48 -0.06 0.00 -1.02 0.00 0.00 32.46 30.33 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 -0.41 -1.24 -3.78 5.56 3.00 -0.57 -4.94 116.66 114.28 1pma n ARG 71 Ca 0.09 0.95 -0.10 0.00 -0.00 0.00 0.00 57.85 58.79 1pma n ARG 71 Cb 0.43 -5.15 -0.04 0.00 0.00 0.00 0.00 32.46 27.69 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 -2.34 0.04 0.37 5.15 0.11 -1.19 -5.04 120.40 117.49 1pma s VAL 72 Ca 0.00 -0.89 -0.20 0.00 -2.93 0.00 0.00 61.98 57.96 1pma s VAL 72 Cb 0.00 -1.61 -0.10 0.00 -1.53 0.00 0.00 36.38 33.14 1pma s VAL 72 CO 0.00 -0.16 0.88 0.20 -3.33 0.00 0.00 175.10 172.68 1pma s ASN 73 N -2.89 6.98 0.08 3.54 -0.87 -1.26 -4.07 114.94 116.45 1pma s ASN 73 Ca 0.10 1.59 -0.30 0.00 -1.57 0.00 0.00 52.86 52.68 1pma s ASN 73 Cb -0.00 -2.50 -0.06 0.00 -0.02 0.00 0.00 41.25 38.68 1pma s ASN 73 CO -0.03 -0.24 1.15 -0.32 -2.57 0.00 0.00 177.10 175.10 1pma s MET 74 N -2.83 4.48 0.68 -0.60 -2.45 -1.26 -5.01 119.30 112.32 1pma s MET 74 Ca 0.56 1.72 -0.17 0.00 -1.25 0.00 0.00 55.69 56.55 1pma s MET 74 Cb -0.12 -3.34 0.01 0.00 1.25 0.00 0.00 34.83 32.63 1pma s MET 74 CO 0.17 -0.15 1.23 -2.14 1.05 0.00 0.00 175.02 175.18 1pma s PRO 75 N 0.70 2.42 0.09 4.11 0.02 -1.26 -4.79 135.00 136.29 1pma s PRO 75 Ca 0.56 1.87 -0.23 0.00 0.02 0.00 0.00 61.00 63.21 1pma s PRO 75 Cb -0.28 -1.85 -0.15 0.00 0.02 0.00 0.00 34.50 32.23 1pma s PRO 75 CO 0.31 -1.65 1.72 0.82 -0.33 0.00 0.00 177.00 177.87 1pma h ILE 76 N 0.19 1.02 -0.80 2.83 1.08 -1.94 -0.21 117.51 119.67 1pma h ILE 76 Ca -0.49 -0.07 0.11 0.00 -0.39 0.00 0.00 64.86 64.02 1pma h ILE 76 Cb 1.31 1.05 -0.06 0.00 -3.07 0.00 0.00 36.82 36.06 1pma h ILE 76 CO 0.52 0.02 0.52 -0.08 -0.69 0.00 0.00 178.15 178.44 1pma h GLU 77 N -0.01 0.67 0.50 2.37 4.81 -1.99 0.78 114.58 121.70 1pma h GLU 77 Ca 0.00 -0.04 -0.02 0.00 -0.13 0.00 0.00 59.36 59.17 1pma h GLU 77 Cb 0.03 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 29.26 1pma h GLU 77 CO -0.00 0.44 -0.24 0.00 -0.73 0.00 0.00 179.01 178.48 1pma h ALA 78 N 1.61 -0.68 -0.97 2.92 0.00 -1.54 0.43 119.26 121.03 1pma h ALA 78 Ca 0.38 -0.15 0.11 0.00 0.00 0.00 0.00 54.91 55.24 1pma h ALA 78 Cb 0.52 0.26 -0.08 0.00 0.00 0.00 0.00 17.79 18.50 1pma h ALA 78 CO -0.15 -0.87 0.62 -0.24 0.00 0.00 0.00 179.25 178.61 1pma h VAL 79 N -0.69 0.94 0.67 0.00 3.04 0.60 -0.59 116.25 120.23 1pma h VAL 79 Ca -0.07 -0.33 -0.03 0.00 -1.01 0.00 0.00 66.70 65.26 1pma h VAL 79 Cb 0.53 -0.10 0.00 0.00 -2.01 0.00 0.00 31.29 29.71 1pma h VAL 79 CO 0.11 0.18 -0.36 0.00 -1.01 0.00 0.00 177.57 176.49 1pma h ALA 80 N 1.54 -1.23 -0.74 3.17 0.00 -0.54 -1.54 119.26 119.92 1pma h ALA 80 Ca 0.46 -0.20 0.10 0.00 0.00 0.00 0.00 54.91 55.27 1pma h ALA 80 Cb 0.45 0.43 -0.12 0.00 0.00 0.00 0.00 17.79 18.55 1pma h ALA 80 CO -0.23 -1.17 -0.48 1.15 0.00 0.00 0.00 179.25 178.52 1pma h THR 81 N -0.94 0.04 -0.45 0.00 2.02 0.15 0.38 112.91 114.10 1pma h THR 81 Ca -0.09 0.00 0.08 0.00 0.77 0.00 0.00 66.41 67.17 1pma h THR 81 Cb 0.74 0.04 -0.10 0.00 -1.74 0.00 0.00 68.15 67.09 1pma h THR 81 CO 0.13 0.00 -0.36 0.25 0.37 0.00 0.00 175.52 175.91 1pma h LEU 82 N -0.15 -1.20 -0.69 2.58 5.85 -1.06 0.30 115.31 120.93 1pma h LEU 82 Ca 0.19 0.21 0.07 0.00 0.84 0.00 0.00 57.88 59.19 1pma h LEU 82 Cb 0.53 0.56 -0.06 0.00 0.37 0.00 0.00 40.66 42.06 1pma h LEU 82 CO -0.80 -0.33 0.37 0.25 -0.34 0.00 0.00 178.44 177.59 1pma h LEU 83 N -0.25 0.52 0.13 2.25 5.85 0.51 -0.27 115.31 124.06 1pma h LEU 83 Ca 0.18 0.04 0.02 0.00 0.84 0.00 0.00 57.88 58.96 1pma h LEU 83 Cb 0.55 -0.06 -0.04 0.00 0.37 0.00 0.00 40.66 41.49 1pma h LEU 83 CO -0.59 0.32 -0.30 -1.28 -0.34 0.00 0.00 178.44 176.26 1pma h SER 84 N 0.66 -0.86 -0.37 1.25 0.87 0.30 -1.33 113.55 114.07 1pma h SER 84 Ca 0.32 0.10 0.08 0.00 -1.23 0.00 0.00 61.79 61.06 1pma h SER 84 Cb 0.27 0.32 -0.08 0.00 -0.44 0.00 0.00 62.40 62.47 1pma h SER 84 CO -0.22 -0.39 -0.13 0.78 -0.53 0.00 0.00 176.83 176.34 1pma h ASN 85 N -0.53 -0.46 -0.35 6.23 4.21 0.02 -0.53 115.58 124.16 1pma h ASN 85 Ca 0.03 0.13 0.08 0.00 1.21 0.00 0.00 56.30 57.74 1pma h ASN 85 Cb 0.55 0.28 -0.08 0.00 -1.12 0.00 0.00 38.32 37.94 1pma h ASN 85 CO -0.17 -0.17 -0.26 0.24 -1.29 0.00 0.00 177.43 175.79 1pma h MET 86 N -0.05 -0.20 0.06 0.81 2.86 -0.48 -1.91 114.93 116.02 1pma h MET 86 Ca 0.18 0.01 -0.00 0.00 -2.06 0.00 0.00 59.70 57.83 1pma h MET 86 Cb 0.33 0.05 0.00 0.00 0.06 0.00 0.00 31.60 32.04 1pma h MET 86 CO -0.41 -0.14 -0.03 -0.07 1.06 0.00 0.00 176.91 177.32 1pma h LEU 87 N -0.21 -0.07 -0.81 1.22 4.07 -0.41 -3.30 115.31 115.80 1pma h LEU 87 Ca 0.17 -0.24 0.01 0.00 0.08 0.00 0.00 57.88 57.90 1pma h LEU 87 Cb 0.48 0.02 -0.04 0.00 1.08 0.00 0.00 40.66 42.20 1pma h LEU 87 CO -0.48 0.21 0.54 -1.13 -1.08 0.00 0.00 178.44 176.50 1pma h ASN 88 N -0.36 0.93 -0.30 -0.43 -0.73 -0.96 -1.75 115.58 111.99 1pma h ASN 88 Ca -0.01 -0.02 0.09 0.00 1.87 0.00 0.00 56.30 58.23 1pma h ASN 88 Cb 0.31 -0.23 -0.01 0.00 0.27 0.00 0.00 38.32 38.66 1pma h ASN 88 CO 0.01 0.67 0.45 -0.61 -0.37 0.00 0.00 177.43 177.58 1pma h GLN 89 N 1.10 0.00 0.00 6.67 4.15 -1.42 -0.34 115.11 125.27 1pma h GLN 89 Ca 0.30 0.00 -0.00 0.00 0.77 0.00 0.00 58.65 59.72 1pma h GLN 89 Cb -0.12 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 27.57 1pma h GLN 89 CO -0.07 0.00 -0.36 1.55 -1.93 0.00 0.00 178.83 178.02 1pma n VAL 90 N -3.42 2.08 -0.14 2.39 3.14 -0.67 -4.82 118.33 116.88 1pma n VAL 90 Ca 0.05 -2.93 0.28 0.00 -2.96 0.00 0.00 64.34 58.78 1pma n VAL 90 Cb 0.59 -0.22 0.72 0.00 -1.06 0.00 0.00 33.84 33.87 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 0.71 0.00 -0.02 1.45 2.10 -0.93 0.26 116.57 120.15 1pma h LYS 91 Ca -0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1pma h LYS 91 Cb 1.01 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.34 1pma h LYS 91 CO 0.00 0.00 0.00 0.66 -2.00 0.00 0.00 179.45 178.11 1pma n TYR 92 N -4.04 0.01 -2.75 0.07 4.01 -1.26 -3.84 117.16 109.36 1pma n TYR 92 Ca 0.17 -0.00 -0.09 0.00 -0.16 0.00 0.00 57.90 57.82 1pma n TYR 92 Cb 0.97 0.00 0.09 0.00 -0.31 0.00 0.00 39.34 40.08 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 -0.06 1.11 -0.88 -0.72 2.81 0.74 -5.15 117.12 114.97 1pma n MET 93 Ca 0.20 -2.18 -0.31 0.00 -1.81 0.00 0.00 57.70 53.60 1pma n MET 93 Cb 0.30 -0.67 0.14 0.00 -0.71 0.00 0.00 33.22 32.28 1pma n MET 93 CO 0.00 0.00 0.00 -1.25 1.51 0.00 0.00 175.97 176.23 1pma s PRO 94 N -0.42 1.39 -0.41 0.03 0.04 -0.10 -4.93 135.00 130.59 1pma s PRO 94 Ca 0.24 1.48 -0.24 0.00 0.04 0.00 0.00 61.00 62.52 1pma s PRO 94 Cb 0.37 -1.78 0.02 0.00 0.04 0.00 0.00 34.50 33.15 1pma s PRO 94 CO -0.06 -2.34 0.85 0.71 0.04 0.00 0.00 177.00 176.20 1pma s TYR 95 N -2.66 3.02 -1.04 0.56 2.02 -1.26 -4.93 117.35 113.06 1pma s TYR 95 Ca 0.66 0.46 -0.23 0.00 -0.37 0.00 0.00 57.07 57.59 1pma s TYR 95 Cb -0.22 -3.68 -0.02 0.00 -0.40 0.00 0.00 41.96 37.64 1pma s TYR 95 CO 0.57 -0.92 1.81 -1.64 -1.57 0.00 0.00 175.55 173.80 1pma s MET 96 N 3.41 2.94 0.18 -0.62 -1.94 -1.26 -4.67 119.30 117.34 1pma s MET 96 Ca 0.34 -0.89 -0.12 0.00 -1.71 0.00 0.00 55.69 53.30 1pma s MET 96 Cb -0.12 -5.23 0.01 0.00 2.01 0.00 0.00 34.83 31.50 1pma s MET 96 CO 0.21 -3.14 0.38 0.54 -0.01 0.00 0.00 175.02 173.01 1pma s VAL 97 N 8.51 0.05 -0.12 -6.03 0.11 -1.26 -1.92 120.40 119.73 1pma s VAL 97 Ca 0.63 -1.14 -0.03 0.00 -2.93 0.00 0.00 61.98 58.50 1pma s VAL 97 Cb -0.02 -1.73 0.05 0.00 -1.53 0.00 0.00 36.38 33.14 1pma s VAL 97 CO 0.02 -0.22 0.06 -1.58 -3.33 0.00 0.00 175.10 170.05 1pma s GLN 98 N -3.93 0.16 0.11 1.54 0.74 0.54 -3.02 119.66 115.80 1pma s GLN 98 Ca 0.14 0.04 0.06 0.00 0.05 0.00 0.00 55.36 55.65 1pma s GLN 98 Cb 0.01 -1.35 -0.04 0.00 1.10 0.00 0.00 33.01 32.73 1pma s GLN 98 CO -0.01 -0.52 -0.03 -0.51 -0.55 0.00 0.00 175.29 173.67 1pma s LEU 99 N 2.09 3.30 -0.13 3.68 1.43 -0.61 -2.72 118.68 125.72 1pma s LEU 99 Ca 0.03 -0.28 -0.01 0.00 -1.03 0.00 0.00 54.13 52.84 1pma s LEU 99 Cb -0.14 -2.04 0.03 0.00 0.03 0.00 0.00 46.19 44.07 1pma s LEU 99 CO -0.07 0.16 -0.04 -0.22 0.23 0.00 0.00 176.35 176.42 1pma s LEU 100 N -2.37 1.22 -0.12 1.79 2.96 -1.01 -0.16 118.68 121.00 1pma s LEU 100 Ca 0.25 -0.43 0.02 0.00 -0.22 0.00 0.00 54.13 53.75 1pma s LEU 100 Cb -0.11 -0.77 0.01 0.00 0.50 0.00 0.00 46.19 45.82 1pma s LEU 100 CO 0.17 -0.17 -0.18 0.54 -1.32 0.00 0.00 176.35 175.38 1pma s VAL 101 N 1.75 1.73 0.28 1.68 0.11 -0.59 -0.33 120.40 125.02 1pma s VAL 101 Ca 0.03 -0.79 0.07 0.00 -2.93 0.00 0.00 61.98 58.36 1pma s VAL 101 Cb -0.14 -1.55 -0.06 0.00 -1.53 0.00 0.00 36.38 33.10 1pma s VAL 101 CO -0.07 0.49 -0.07 -0.83 -3.33 0.00 0.00 175.10 171.28 1pma s GLY 102 N 0.86 1.83 0.00 6.54 0.00 -0.26 -0.38 107.32 115.91 1pma s GLY 102 Ca -0.08 -1.90 0.00 0.00 0.00 0.00 0.00 44.72 42.74 1pma s GLY 102 CO -0.01 -1.85 0.00 0.61 0.00 0.00 0.00 173.10 171.85 1pma n GLY 103 N -0.58 -1.58 2.84 0.20 0.00 -0.35 -0.93 105.19 104.79 1pma n GLY 103 Ca -0.06 -1.06 -0.17 0.00 0.00 0.00 0.00 46.02 44.74 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 -2.49 -0.31 0.00 -0.61 2.07 -0.85 0.29 121.20 119.31 1pma s ILE 104 Ca 0.00 0.17 0.00 0.00 -1.41 0.00 0.00 60.65 59.41 1pma s ILE 104 Cb 0.00 -0.46 0.00 0.00 0.13 0.00 0.00 42.46 42.13 1pma s ILE 104 CO 0.00 0.02 0.00 -0.90 -1.91 0.00 0.00 174.94 172.15 1pma n ASP 105 N 5.33 0.00 0.23 4.50 5.68 -1.26 -4.83 116.55 126.19 1pma n ASP 105 Ca -0.05 0.00 0.15 0.00 -0.50 0.00 0.00 54.79 54.38 1pma n ASP 105 Cb 0.50 0.00 0.48 0.00 -1.14 0.00 0.00 41.12 40.96 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 0.00 -3.01 2.12 1.03 -2.01 -3.46 112.91 107.58 1pma h THR 106 Ca 0.00 -0.62 0.05 0.00 -0.01 0.00 0.00 66.41 65.82 1pma h THR 106 Cb 0.00 1.59 -0.04 0.00 -1.07 0.00 0.00 68.15 68.63 1pma h THR 106 CO 0.00 0.00 0.24 0.00 -0.01 0.00 0.00 175.52 175.75 1pma s ALA 107 N -3.44 -1.10 0.54 0.00 0.00 -1.26 -5.16 121.76 111.33 1pma s ALA 107 Ca 0.04 -0.41 -0.18 0.00 0.00 0.00 0.00 51.96 51.41 1pma s ALA 107 Cb 0.08 0.81 -0.06 0.00 0.00 0.00 0.00 23.12 23.95 1pma s ALA 107 CO 0.57 -1.03 1.05 -2.14 0.00 0.00 0.00 175.76 174.21 1pma s PRO 108 N -3.56 3.56 0.10 0.00 0.02 -1.26 -4.25 135.00 129.61 1pma s PRO 108 Ca 0.12 1.29 -0.15 0.00 0.02 0.00 0.00 61.00 62.28 1pma s PRO 108 Cb -0.06 -2.06 0.03 0.00 0.02 0.00 0.00 34.50 32.43 1pma s PRO 108 CO 0.08 -0.62 0.36 -1.01 -0.33 0.00 0.00 177.00 175.48 1pma s HIS 109 N -2.21 -0.15 -0.28 6.54 3.76 0.15 -4.93 115.29 118.16 1pma s HIS 109 Ca 0.66 -0.11 -0.12 0.00 -0.15 0.00 0.00 55.06 55.34 1pma s HIS 109 Cb -0.16 0.19 0.11 0.00 1.11 0.00 0.00 32.58 33.82 1pma s HIS 109 CO 0.28 -0.63 0.65 0.54 -0.85 0.00 0.00 174.74 174.73 1pma s VAL 110 N -3.42 -0.61 0.09 -0.90 0.11 -1.26 -1.21 120.40 113.20 1pma s VAL 110 Ca 0.01 0.01 0.09 0.00 -2.93 0.00 0.00 61.98 59.16 1pma s VAL 110 Cb 0.02 -0.97 -0.03 0.00 -1.53 0.00 0.00 36.38 33.86 1pma s VAL 110 CO -0.09 0.00 -0.24 -0.36 -3.33 0.00 0.00 175.10 171.08 1pma s PHE 111 N 2.41 2.11 -0.22 1.54 0.40 0.49 -2.81 117.98 121.90 1pma s PHE 111 Ca -0.07 -0.40 -0.06 0.00 -0.60 0.00 0.00 56.93 55.80 1pma s PHE 111 Cb -0.09 -1.19 -0.03 0.00 0.51 0.00 0.00 43.02 42.21 1pma s PHE 111 CO -0.19 0.22 0.03 0.45 0.70 0.00 0.00 175.22 176.43 1pma s SER 112 N -1.69 5.02 -0.05 1.36 0.15 0.97 -1.54 113.70 117.91 1pma s SER 112 Ca 0.11 -0.18 0.06 0.00 0.70 0.00 0.00 55.95 56.64 1pma s SER 112 Cb -0.10 -1.88 -0.01 0.00 -1.71 0.00 0.00 66.02 62.32 1pma s SER 112 CO 0.04 0.03 -0.25 -0.63 1.20 0.00 0.00 173.24 173.64 1pma s ILE 113 N 1.19 2.08 0.28 6.45 -1.09 0.77 -1.97 121.20 128.91 1pma s ILE 113 Ca 0.04 -1.06 0.07 0.00 -2.23 0.00 0.00 60.65 57.46 1pma s ILE 113 Cb -0.14 -1.74 -0.03 0.00 -1.58 0.00 0.00 42.46 38.96 1pma s ILE 113 CO 0.02 0.57 0.25 1.51 -1.23 0.00 0.00 174.94 176.06 1pma s ASP 114 N -0.21 5.53 0.11 3.58 1.47 -0.07 -1.58 116.67 125.50 1pma s ASP 114 Ca -0.02 -0.29 0.04 0.00 1.18 0.00 0.00 52.55 53.46 1pma s ASP 114 Cb -0.13 -1.31 0.23 0.00 -0.34 0.00 0.00 42.92 41.37 1pma s ASP 114 CO 0.03 -0.14 0.96 0.00 0.68 0.00 0.00 175.17 176.70 1pma n ALA 115 N -1.27 0.59 -0.57 2.11 0.00 -1.17 0.20 120.51 120.40 1pma n ALA 115 Ca -0.06 0.04 0.07 0.00 0.00 0.00 0.00 53.44 53.49 1pma n ALA 115 Cb 0.58 -0.65 0.20 0.00 0.00 0.00 0.00 19.45 19.59 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 2.57 -1.04 0.00 0.00 -1.26 -4.51 120.51 114.89 1pma n ALA 116 Ca -0.00 -1.71 -0.01 0.00 0.00 0.00 0.00 53.44 51.71 1pma n ALA 116 Cb 0.25 -0.56 -0.01 0.00 0.00 0.00 0.00 19.45 19.13 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 -0.01 0.49 3.69 0.00 0.00 0.13 -3.85 105.19 105.64 1pma n GLY 117 Ca 0.16 -0.99 -0.41 0.00 0.00 0.00 0.00 46.02 44.77 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 -2.95 2.33 -0.06 -0.02 0.00 -1.24 -4.77 107.32 100.60 1pma s GLY 118 Ca 0.00 0.16 0.02 0.00 0.00 0.00 0.00 44.72 44.90 1pma s GLY 118 CO 0.00 1.61 -0.12 -0.45 0.00 0.00 0.00 173.10 174.14 1pma s SER 119 N 1.06 1.71 -0.07 1.64 0.15 -1.26 -0.89 113.70 116.04 1pma s SER 119 Ca 0.41 -0.29 -0.08 0.00 0.70 0.00 0.00 55.95 56.69 1pma s SER 119 Cb -0.17 -0.80 0.02 0.00 -1.71 0.00 0.00 66.02 63.36 1pma s SER 119 CO 0.16 0.03 0.22 0.54 1.20 0.00 0.00 173.24 175.38 1pma s VAL 120 N 0.69 0.02 -0.06 4.45 0.11 -0.83 -4.98 120.40 119.79 1pma s VAL 120 Ca -0.14 -0.14 -0.04 0.00 -2.93 0.00 0.00 61.98 58.73 1pma s VAL 120 Cb -0.16 -0.36 -0.04 0.00 -1.53 0.00 0.00 36.38 34.29 1pma s VAL 120 CO 0.03 -0.08 0.13 -0.70 -3.33 0.00 0.00 175.10 171.16 1pma s GLU 121 N -0.21 3.35 0.36 1.54 2.12 -1.26 -0.02 118.70 124.57 1pma s GLU 121 Ca -0.03 -0.27 0.07 0.00 0.36 0.00 0.00 54.97 55.10 1pma s GLU 121 Cb -0.03 -3.08 -0.02 0.00 0.26 0.00 0.00 34.13 31.26 1pma s GLU 121 CO 0.01 0.72 0.24 -3.47 -0.54 0.00 0.00 175.26 172.21 1pma n ASP 122 N 1.53 -0.03 0.01 -1.70 2.03 -1.12 -4.99 116.55 112.27 1pma n ASP 122 Ca -0.16 -3.20 0.12 0.00 0.52 0.00 0.00 54.79 52.07 1pma n ASP 122 Cb 0.54 1.46 0.28 0.00 -0.72 0.00 0.00 41.12 42.68 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 -0.74 0.04 -3.61 5.18 -0.00 -1.26 -4.47 119.36 114.51 1pma n ILE 123 Ca 0.03 -0.04 -0.04 0.00 -0.00 0.00 0.00 62.75 62.70 1pma n ILE 123 Cb 0.61 0.11 -0.03 0.00 -0.00 0.00 0.00 39.64 40.34 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 -3.02 -0.12 -0.03 4.28 1.13 -1.26 -0.81 117.35 117.52 1pma s TYR 124 Ca 0.11 0.13 -0.29 0.00 -1.41 0.00 0.00 57.07 55.61 1pma s TYR 124 Cb 0.17 0.50 0.10 0.00 -1.10 0.00 0.00 41.96 41.63 1pma s TYR 124 CO 0.68 -0.15 0.86 0.00 -2.51 0.00 0.00 175.55 174.43 1pma s ALA 125 N -1.82 -1.82 0.28 9.51 0.00 0.37 -4.99 121.76 123.29 1pma s ALA 125 Ca 0.08 1.14 0.10 0.00 0.00 0.00 0.00 51.96 53.28 1pma s ALA 125 Cb -0.01 0.14 -0.05 0.00 0.00 0.00 0.00 23.12 23.20 1pma s ALA 125 CO -0.05 -0.56 -0.15 0.45 0.00 0.00 0.00 175.76 175.45 1pma s SER 126 N -2.02 3.32 -0.06 0.00 0.15 -1.26 -0.20 113.70 113.64 1pma s SER 126 Ca 0.01 -1.08 -0.11 0.00 0.70 0.00 0.00 55.95 55.46 1pma s SER 126 Cb -0.01 -0.26 0.02 0.00 -1.71 0.00 0.00 66.02 64.06 1pma s SER 126 CO -0.05 -0.10 0.28 -0.89 1.20 0.00 0.00 173.24 173.68 1pma s THR 127 N -2.68 0.03 0.00 6.45 2.01 -0.49 -4.97 115.64 116.00 1pma s THR 127 Ca 0.29 -0.29 0.00 0.00 0.31 0.00 0.00 61.69 62.00 1pma s THR 127 Cb -0.02 -0.49 0.00 0.00 0.01 0.00 0.00 72.50 72.00 1pma s THR 127 CO 0.13 -0.16 0.00 0.61 -0.69 0.00 0.00 174.62 174.52 1pma n GLY 128 N 2.07 1.71 0.44 4.40 0.00 -1.26 -1.08 105.19 111.46 1pma n GLY 128 Ca -0.18 -2.07 0.30 0.00 0.00 0.00 0.00 46.02 44.07 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 0.33 -0.26 1.61 0.87 0.35 0.24 113.55 116.70 1pma h SER 129 Ca 0.00 0.11 0.00 0.00 -1.23 0.00 0.00 61.79 60.67 1pma h SER 129 Cb 0.00 0.06 0.00 0.00 -0.44 0.00 0.00 62.40 62.02 1pma h SER 129 CO 0.00 -0.04 0.00 0.61 -0.53 0.00 0.00 176.83 176.87 1pma n GLY 130 N -1.51 1.05 0.36 5.77 0.00 -1.17 -4.71 105.19 104.99 1pma n GLY 130 Ca 0.31 -0.60 0.03 0.00 0.00 0.00 0.00 46.02 45.75 1pma n GLY 130 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1pma n SER 131 N 0.99 -0.46 -0.34 1.61 7.64 0.85 -1.01 113.62 122.90 1pma n SER 131 Ca 0.18 1.67 0.02 0.00 1.01 0.00 0.00 58.87 61.75 1pma n SER 131 Cb 0.49 -0.45 0.17 0.00 -1.01 0.00 0.00 64.21 63.40 1pma n SER 131 CO 0.00 0.00 0.00 -0.65 -3.01 0.00 0.00 175.04 171.38 1pma h PRO 132 N 0.00 1.03 0.23 1.43 0.11 -1.84 -1.10 132.00 131.86 1pma h PRO 132 Ca 0.41 -0.06 -0.00 0.00 0.11 0.00 0.00 66.00 66.46 1pma h PRO 132 Cb 0.65 -0.23 -0.01 0.00 0.11 0.00 0.00 31.00 31.52 1pma h PRO 132 CO -0.98 0.68 -0.20 0.74 -0.21 0.00 0.00 178.00 178.03 1pma h PHE 133 N 1.06 -0.53 -0.62 0.65 0.04 -1.44 -1.41 116.94 114.69 1pma h PHE 133 Ca 0.41 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 61.17 1pma h PHE 133 Cb 0.21 0.20 -0.03 0.00 2.20 0.00 0.00 35.95 38.53 1pma h PHE 133 CO -0.02 -0.30 0.35 -0.24 -0.60 0.00 0.00 178.31 177.50 1pma h VAL 134 N -0.45 1.20 -0.38 -0.55 3.04 -1.44 0.59 116.25 118.25 1pma h VAL 134 Ca -0.01 -0.49 0.11 0.00 -1.01 0.00 0.00 66.70 65.30 1pma h VAL 134 Cb 0.41 0.38 -0.02 0.00 -2.01 0.00 0.00 31.29 30.06 1pma h VAL 134 CO -0.03 0.21 0.40 1.88 -1.01 0.00 0.00 177.57 179.02 1pma h TYR 135 N 0.85 0.00 0.00 3.17 0.05 -0.76 0.09 116.97 120.37 1pma h TYR 135 Ca 0.22 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.00 1pma h TYR 135 Cb 0.03 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.77 1pma h TYR 135 CO -0.01 0.00 0.00 0.41 -1.05 0.00 0.00 178.16 177.51 1pma n GLY 136 N -1.49 -1.61 0.38 3.88 0.00 0.18 -1.61 105.19 104.92 1pma n GLY 136 Ca 0.07 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.24 1pma n GLY 136 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 1pma h VAL 137 N 0.00 0.79 -0.01 1.61 -1.51 -1.14 0.15 116.25 116.15 1pma h VAL 137 Ca 0.00 -0.16 -0.00 0.00 -1.23 0.00 0.00 66.70 65.30 1pma h VAL 137 Cb 0.00 0.27 -0.00 0.00 -2.13 0.00 0.00 31.29 29.43 1pma h VAL 137 CO 0.00 0.09 -0.00 -0.07 -1.23 0.00 0.00 177.57 176.35 1pma h LEU 138 N 0.48 0.02 -2.75 4.19 4.07 -1.11 0.55 115.31 120.76 1pma h LEU 138 Ca 0.40 -0.38 0.00 0.00 0.08 0.00 0.00 57.88 57.99 1pma h LEU 138 Cb 0.86 -0.01 -0.00 0.00 1.08 0.00 0.00 40.66 42.60 1pma h LEU 138 CO -0.15 0.39 0.02 -0.08 -1.08 0.00 0.00 178.44 177.55 1pma h GLU 139 N -0.35 0.00 0.07 1.13 4.57 -0.15 0.17 114.58 120.01 1pma h GLU 139 Ca 0.00 0.00 -0.33 0.00 -1.18 0.00 0.00 59.36 57.85 1pma h GLU 139 Cb 0.38 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 28.94 1pma h GLU 139 CO 0.00 0.00 -1.84 1.03 -1.18 0.00 0.00 179.01 177.03 1pma h SER 140 N 0.00 0.24 0.00 1.04 0.87 0.04 -3.43 113.55 112.31 1pma h SER 140 Ca 0.00 -0.52 0.00 0.00 -1.23 0.00 0.00 61.79 60.04 1pma h SER 140 Cb 0.05 -0.08 0.00 0.00 -0.44 0.00 0.00 62.40 61.93 1pma h SER 140 CO -0.00 1.46 0.00 0.00 -0.53 0.00 0.00 176.83 177.76 1pma n GLN 141 N -3.30 0.99 -2.84 2.24 6.02 0.18 -5.05 117.38 115.63 1pma n GLN 141 Ca -0.24 -0.81 -0.41 0.00 -0.01 0.00 0.00 57.00 55.53 1pma n GLN 141 Cb 1.05 -0.75 -0.04 0.00 1.02 0.00 0.00 30.24 31.53 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 -0.37 3.57 -0.05 1.08 5.04 0.01 -5.01 117.35 121.62 1pma s TYR 142 Ca 0.00 1.47 0.00 0.00 -2.44 0.00 0.00 57.07 56.11 1pma s TYR 142 Cb 0.00 -3.02 0.02 0.00 0.35 0.00 0.00 41.96 39.32 1pma s TYR 142 CO 0.00 -0.05 -0.03 0.45 -1.34 0.00 0.00 175.55 174.58 1pma s SER 143 N 0.98 1.17 0.09 4.32 0.15 -1.26 -4.97 113.70 114.18 1pma s SER 143 Ca 0.45 -0.12 0.05 0.00 0.70 0.00 0.00 55.95 57.03 1pma s SER 143 Cb -0.19 -0.46 0.30 0.00 -1.71 0.00 0.00 66.02 63.95 1pma s SER 143 CO 0.21 -0.09 1.14 -1.84 1.20 0.00 0.00 173.24 173.85 1pma n GLU 144 N 4.38 0.04 -0.79 5.44 -0.00 -1.26 -1.23 120.64 127.22 1pma n GLU 144 Ca -0.20 0.51 -0.04 0.00 -0.00 0.00 0.00 57.16 57.44 1pma n GLU 144 Cb 0.51 -1.65 0.24 0.00 -0.00 0.00 0.00 31.44 30.54 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 -1.67 3.21 -2.85 3.44 5.02 -1.26 -4.19 118.16 119.86 1pma n LYS 145 Ca -0.00 -2.37 -0.26 0.00 -2.02 0.00 0.00 58.31 53.65 1pma n LYS 145 Cb 0.04 -2.02 -0.00 0.00 -0.02 0.00 0.00 35.03 33.03 1pma n LYS 145 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 1pma s MET 146 N -2.42 3.53 0.23 1.97 -1.94 -0.37 -5.08 119.30 115.23 1pma s MET 146 Ca 0.42 0.05 -0.02 0.00 -1.71 0.00 0.00 55.69 54.44 1pma s MET 146 Cb 0.34 -2.46 -0.04 0.00 2.01 0.00 0.00 34.83 34.68 1pma s MET 146 CO 0.11 -0.10 0.44 0.95 -0.01 0.00 0.00 175.02 176.41 1pma s THR 147 N -2.62 5.15 0.57 2.05 -4.23 -1.26 -4.68 115.64 110.63 1pma s THR 147 Ca 0.45 -0.28 0.31 0.00 -1.18 0.00 0.00 61.69 60.99 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 0.42 -0.24 1.81 1.62 -0.54 0.00 0.00 174.62 177.69 1pma h VAL 148 N 1.43 0.36 0.09 2.29 3.04 -1.98 -0.45 116.25 121.03 1pma h VAL 148 Ca -0.48 0.00 -0.16 0.00 -1.01 0.00 0.00 66.70 65.05 1pma h VAL 148 Cb 1.19 0.49 0.02 0.00 -2.01 0.00 0.00 31.29 30.98 1pma h VAL 148 CO 0.67 0.00 -0.69 -0.78 -1.01 0.00 0.00 177.57 175.76 1pma h ASP 149 N 0.00 0.45 -0.46 3.17 1.82 -2.00 -2.36 116.42 117.04 1pma h ASP 149 Ca 0.35 -0.89 0.03 0.00 -0.39 0.00 0.00 57.03 56.13 1pma h ASP 149 Cb 1.69 -0.14 -0.04 0.00 0.68 0.00 0.00 39.33 41.52 1pma h ASP 149 CO -0.00 1.30 0.25 -0.33 -1.61 0.00 0.00 179.24 178.85 1pma h GLU 150 N -0.34 0.48 0.02 0.28 5.08 -1.52 -2.70 114.58 115.89 1pma h GLU 150 Ca -0.11 -0.03 0.01 0.00 -1.00 0.00 0.00 59.36 58.23 1pma h GLU 150 Cb 1.49 -0.11 -0.04 0.00 0.50 0.00 0.00 28.75 30.59 1pma h GLU 150 CO 0.13 0.32 -0.38 0.78 -1.00 0.00 0.00 179.01 178.85 1pma h GLY 151 N 0.49 -1.20 -0.74 -3.84 0.00 -1.24 0.11 103.07 96.65 1pma h GLY 151 Ca 0.19 0.64 0.37 0.00 0.00 0.00 0.00 47.33 48.53 1pma h GLY 151 CO -0.12 -0.32 0.77 -0.24 0.00 0.00 0.00 176.54 176.63 1pma h VAL 152 N -0.50 0.27 0.50 4.60 3.04 -1.20 0.18 116.25 123.14 1pma h VAL 152 Ca 0.00 -0.07 -0.02 0.00 -1.01 0.00 0.00 66.70 65.60 1pma h VAL 152 Cb 0.52 0.05 0.00 0.00 -2.01 0.00 0.00 31.29 29.86 1pma h VAL 152 CO -0.24 0.04 -0.24 0.44 -1.01 0.00 0.00 177.57 176.55 1pma h ASP 153 N 0.20 -0.57 -0.94 3.17 5.19 -0.72 -2.07 116.42 120.68 1pma h ASP 153 Ca 0.74 -0.05 0.20 0.00 -0.62 0.00 0.00 57.03 57.31 1pma h ASP 153 Cb 2.16 0.15 -0.18 0.00 0.18 0.00 0.00 39.33 41.64 1pma h ASP 153 CO -0.39 -0.17 -0.17 0.25 -3.12 0.00 0.00 179.24 175.64 1pma h LEU 154 N -1.09 -0.76 0.84 1.55 5.85 0.75 0.60 115.31 123.04 1pma h LEU 154 Ca -0.07 0.28 -0.04 0.00 0.84 0.00 0.00 57.88 58.89 1pma h LEU 154 Cb 0.58 0.55 0.00 0.00 0.37 0.00 0.00 40.66 42.16 1pma h LEU 154 CO 0.11 -0.31 -0.45 0.58 -0.34 0.00 0.00 178.44 178.03 1pma h VAL 155 N 0.01 0.09 -0.98 1.05 2.07 -1.29 0.20 116.25 117.40 1pma h VAL 155 Ca 0.48 0.00 0.25 0.00 0.82 0.00 0.00 66.70 68.25 1pma h VAL 155 Cb 0.80 0.09 -0.13 0.00 -1.52 0.00 0.00 31.29 30.53 1pma h VAL 155 CO -0.94 0.00 0.55 0.40 0.02 0.00 0.00 177.57 177.60 1pma h ILE 156 N -1.19 0.48 0.50 4.57 2.04 0.77 0.17 117.51 124.86 1pma h ILE 156 Ca -0.11 -0.17 -0.02 0.00 1.00 0.00 0.00 64.86 65.55 1pma h ILE 156 Cb 0.93 -0.06 0.00 0.00 -0.74 0.00 0.00 36.82 36.95 1pma h ILE 156 CO 0.16 0.09 -0.24 0.03 0.00 0.00 0.00 178.15 178.19 1pma h ARG 157 N 0.50 -0.65 -0.20 2.37 3.08 -0.07 -1.47 114.38 117.94 1pma h ARG 157 Ca 0.65 0.04 0.03 0.00 0.07 0.00 0.00 59.98 60.77 1pma h ARG 157 Cb 1.28 0.15 -0.05 0.00 0.08 0.00 0.00 29.97 31.42 1pma h ARG 157 CO -0.51 -0.35 -0.35 0.00 -1.07 0.00 0.00 179.97 177.69 1pma h ALA 158 N -0.55 -0.65 -0.95 0.04 0.00 0.22 0.23 119.26 117.61 1pma h ALA 158 Ca -0.07 -0.01 0.14 0.00 0.00 0.00 0.00 54.91 54.97 1pma h ALA 158 Cb 0.60 0.93 -0.09 0.00 0.00 0.00 0.00 17.79 19.23 1pma h ALA 158 CO 0.11 -0.80 0.56 0.82 0.00 0.00 0.00 179.25 179.94 1pma h ILE 159 N -0.30 0.82 -0.55 0.00 2.04 -1.16 0.71 117.51 119.07 1pma h ILE 159 Ca 0.04 -0.28 0.02 0.00 1.00 0.00 0.00 64.86 65.64 1pma h ILE 159 Cb 0.40 -0.08 -0.03 0.00 -0.74 0.00 0.00 36.82 36.37 1pma h ILE 159 CO -0.34 0.15 0.36 0.28 0.00 0.00 0.00 178.15 178.60 1pma h SER 160 N 0.83 0.57 0.71 1.72 0.02 0.44 0.15 113.55 117.98 1pma h SER 160 Ca 0.50 -0.01 -0.03 0.00 -0.84 0.00 0.00 61.79 61.40 1pma h SER 160 Cb 0.61 -0.13 0.01 0.00 0.14 0.00 0.00 62.40 63.03 1pma h SER 160 CO -0.32 0.40 -0.34 0.00 -1.14 0.00 0.00 176.83 175.43 1pma h ALA 161 N 1.68 -1.00 -1.03 3.77 0.00 0.16 -2.91 119.26 119.93 1pma h ALA 161 Ca 0.21 -0.21 0.27 0.00 0.00 0.00 0.00 54.91 55.18 1pma h ALA 161 Cb 0.04 0.37 -0.12 0.00 0.00 0.00 0.00 17.79 18.08 1pma h ALA 161 CO -0.05 -0.93 0.62 0.00 0.00 0.00 0.00 179.25 178.89 1pma h ALA 162 N -1.32 1.97 -0.39 0.00 0.00 -0.76 1.10 119.26 119.86 1pma h ALA 162 Ca -0.10 0.11 0.10 0.00 0.00 0.00 0.00 54.91 55.03 1pma h ALA 162 Cb 0.73 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.54 1pma h ALA 162 CO 0.16 -0.44 0.28 0.87 0.00 0.00 0.00 179.25 180.11 1pma h LYS 163 N 0.49 0.05 -0.04 0.00 1.57 -0.54 -1.05 116.57 117.04 1pma h LYS 163 Ca 0.65 -0.00 -0.20 0.00 -1.87 0.00 0.00 60.65 59.22 1pma h LYS 163 Cb 1.40 -0.01 0.01 0.00 0.08 0.00 0.00 32.23 33.72 1pma h LYS 163 CO -0.44 0.03 -0.76 1.96 -0.57 0.00 0.00 179.45 179.67 1pma h GLN 164 N 0.05 0.59 -0.26 3.15 1.08 0.14 -3.36 115.11 116.50 1pma h GLN 164 Ca 0.18 -0.58 0.00 0.00 -1.45 0.00 0.00 58.65 56.80 1pma h GLN 164 Cb 0.67 0.15 0.00 0.00 -0.05 0.00 0.00 27.48 28.25 1pma h GLN 164 CO -0.01 1.20 0.00 0.54 -0.95 0.00 0.00 178.83 179.61 1pma n ARG 165 N -4.06 2.24 -3.68 1.46 3.00 -0.85 -4.86 116.66 109.91 1pma n ARG 165 Ca -0.10 -1.85 -0.27 0.00 -0.01 0.00 0.00 57.85 55.62 1pma n ARG 165 Cb 0.74 -1.47 -0.16 0.00 0.00 0.00 0.00 32.46 31.57 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 -1.61 2.83 0.54 0.55 2.15 -0.46 -4.99 116.67 115.67 1pma s ASP 166 Ca 0.35 -0.83 0.36 0.00 0.43 0.00 0.00 52.55 52.86 1pma s ASP 166 Cb 0.21 -0.48 1.89 0.00 -0.30 0.00 0.00 42.92 44.24 1pma s ASP 166 CO 0.30 -0.34 2.10 0.77 -0.17 0.00 0.00 175.17 177.83 1pma h SER 167 N 8.30 0.00 1.00 -0.34 4.64 -1.87 -0.27 113.55 125.02 1pma h SER 167 Ca -0.16 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.16 1pma h SER 167 Cb 1.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.21 1pma h SER 167 CO 0.34 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 176.30 1pma n ALA 168 N -1.98 2.30 -2.63 5.18 0.00 -1.26 -4.80 120.51 117.31 1pma n ALA 168 Ca -0.02 -0.09 -0.30 0.00 0.00 0.00 0.00 53.44 53.02 1pma n ALA 168 Cb 0.09 -1.46 -0.09 0.00 0.00 0.00 0.00 19.45 17.99 1pma n ALA 168 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1pma s SER 169 N -3.09 4.74 0.00 0.00 0.01 -0.11 0.13 113.70 115.37 1pma s SER 169 Ca 0.13 -0.25 0.00 0.00 1.31 0.00 0.00 55.95 57.15 1pma s SER 169 Cb 0.18 -1.05 0.00 0.00 0.21 0.00 0.00 66.02 65.36 1pma s SER 169 CO 0.52 0.19 0.00 0.61 0.41 0.00 0.00 173.24 174.98 1pma n GLY 170 N 0.78 -1.74 1.55 3.44 0.00 -1.26 -4.88 105.19 103.08 1pma n GLY 170 Ca -0.12 -1.11 0.05 0.00 0.00 0.00 0.00 46.02 44.83 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 -0.32 -2.10 3.73 -0.02 0.00 -1.26 -2.34 105.19 102.88 1pma n GLY 171 Ca 0.00 -1.41 -0.42 0.00 0.00 0.00 0.00 46.02 44.19 1pma n GLY 171 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1pma n MET 172 N -1.67 2.44 -3.55 1.61 0.00 -1.26 -4.58 117.12 110.11 1pma n MET 172 Ca 0.00 0.86 -0.37 0.00 -0.00 0.00 0.00 57.70 58.20 1pma n MET 172 Cb 0.15 -2.56 -0.07 0.00 0.00 0.00 0.00 33.22 30.74 1pma n MET 172 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 175.97 174.47 1pma s ILE 173 N -0.56 5.25 0.01 1.12 -1.16 -1.26 -3.21 121.20 121.39 1pma s ILE 173 Ca 0.60 0.61 0.05 0.00 -0.51 0.00 0.00 60.65 61.39 1pma s ILE 173 Cb -0.53 -3.64 -0.01 0.00 0.61 0.00 0.00 42.46 38.88 1pma s ILE 173 CO 0.56 0.46 -0.14 1.51 -2.81 0.00 0.00 174.94 174.52 1pma s ASP 174 N -0.09 1.65 0.15 4.50 1.47 0.34 -4.90 116.67 119.79 1pma s ASP 174 Ca 0.19 -0.33 0.07 0.00 1.18 0.00 0.00 52.55 53.65 1pma s ASP 174 Cb -0.14 -0.15 -0.04 0.00 -0.34 0.00 0.00 42.92 42.25 1pma s ASP 174 CO 0.07 0.12 -0.14 0.54 0.68 0.00 0.00 175.17 176.43 1pma s VAL 175 N -0.52 1.51 -0.01 2.11 0.11 -1.26 -1.58 120.40 120.74 1pma s VAL 175 Ca 0.04 -1.92 -0.01 0.00 -2.93 0.00 0.00 61.98 57.15 1pma s VAL 175 Cb -0.06 -1.76 0.00 0.00 -1.53 0.00 0.00 36.38 33.03 1pma s VAL 175 CO 0.00 -0.48 0.04 0.00 -3.33 0.00 0.00 175.10 171.33 1pma s ALA 176 N -2.48 -0.10 -0.05 1.54 0.00 -0.28 -1.62 121.76 118.77 1pma s ALA 176 Ca 0.15 0.10 0.06 0.00 0.00 0.00 0.00 51.96 52.27 1pma s ALA 176 Cb -0.03 -0.06 -0.01 0.00 0.00 0.00 0.00 23.12 23.02 1pma s ALA 176 CO 0.04 -0.03 -0.24 0.54 0.00 0.00 0.00 175.76 176.08 1pma s VAL 177 N -0.03 1.96 -0.13 0.00 0.11 0.99 -1.21 120.40 122.09 1pma s VAL 177 Ca -0.01 -1.03 0.01 0.00 -2.93 0.00 0.00 61.98 58.03 1pma s VAL 177 Cb -0.01 -1.65 0.02 0.00 -1.53 0.00 0.00 36.38 33.21 1pma s VAL 177 CO 0.00 0.55 -0.16 -0.51 -3.33 0.00 0.00 175.10 171.65 1pma s ILE 178 N -0.23 1.60 0.11 7.04 2.07 -0.29 -0.60 121.20 130.91 1pma s ILE 178 Ca -0.01 -0.69 0.04 0.00 -1.41 0.00 0.00 60.65 58.59 1pma s ILE 178 Cb -0.13 -1.47 -0.04 0.00 0.13 0.00 0.00 42.46 40.95 1pma s ILE 178 CO 0.02 0.46 -0.10 0.28 -1.91 0.00 0.00 174.94 173.69 1pma s THR 179 N 1.15 1.01 0.41 4.00 -1.32 -0.84 -1.65 115.64 118.41 1pma s THR 179 Ca -0.02 -1.75 0.22 0.00 -1.21 0.00 0.00 61.69 58.93 1pma s THR 179 Cb -0.14 -1.49 0.24 0.00 -1.51 0.00 0.00 72.50 69.59 1pma s THR 179 CO -0.05 -0.60 2.01 -0.09 -2.21 0.00 0.00 174.62 173.68 1pma h ARG 180 N 3.37 0.00 0.51 7.08 9.65 -1.87 0.32 114.38 133.43 1pma h ARG 180 Ca -0.37 0.00 -0.02 0.00 -1.10 0.00 0.00 59.98 58.48 1pma h ARG 180 Cb 1.19 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.77 1pma h ARG 180 CO 0.55 0.17 -0.24 -0.22 2.80 0.00 0.00 179.97 183.03 1pma h LYS 181 N 0.00 -0.66 0.00 0.20 1.63 -1.97 -3.38 116.57 112.40 1pma h LYS 181 Ca -0.00 0.04 0.00 0.00 -0.85 0.00 0.00 60.65 59.84 1pma h LYS 181 Cb 0.39 0.15 0.00 0.00 -0.60 0.00 0.00 32.23 32.16 1pma h LYS 181 CO 0.02 -0.44 -1.28 -0.25 -3.45 0.00 0.00 179.45 174.05 1pma n ASP 182 N -5.05 0.55 0.00 4.20 8.00 -1.22 -5.09 116.55 117.94 1pma n ASP 182 Ca -0.08 -0.33 0.00 0.00 0.71 0.00 0.00 54.79 55.08 1pma n ASP 182 Cb 0.27 1.16 0.00 0.00 -0.02 0.00 0.00 41.12 42.53 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 -1.36 3.64 0.44 0.00 0.11 -4.80 105.19 104.58 1pma n GLY 183 Ca 0.01 -1.60 -0.43 0.00 0.00 0.00 0.00 46.02 44.00 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 3.14 -0.09 1.61 6.14 -1.16 -1.98 117.35 125.00 1pma s TYR 184 Ca 0.00 1.20 0.01 0.00 0.64 0.00 0.00 57.07 58.92 1pma s TYR 184 Cb 0.00 -3.67 0.02 0.00 0.42 0.00 0.00 41.96 38.73 1pma s TYR 184 CO 0.00 -0.81 -0.11 0.54 0.64 0.00 0.00 175.55 175.82 1pma s VAL 185 N 3.66 1.14 -0.26 3.14 0.11 0.24 -4.99 120.40 123.43 1pma s VAL 185 Ca 0.46 -0.42 -0.16 0.00 -2.93 0.00 0.00 61.98 58.94 1pma s VAL 185 Cb -0.13 -1.09 -0.04 0.00 -1.53 0.00 0.00 36.38 33.59 1pma s VAL 185 CO 0.15 0.37 0.40 -1.58 -3.33 0.00 0.00 175.10 171.12 1pma s GLN 186 N 1.18 4.05 0.58 1.54 0.74 -1.26 -0.01 119.66 126.48 1pma s GLN 186 Ca -0.04 0.11 -0.20 0.00 0.05 0.00 0.00 55.36 55.28 1pma s GLN 186 Cb -0.14 -3.64 -0.04 0.00 1.10 0.00 0.00 33.01 30.29 1pma s GLN 186 CO -0.03 -0.26 1.28 1.28 -0.55 0.00 0.00 175.29 177.01 1pma n LEU 187 N 5.25 5.40 -4.73 3.68 4.32 -0.64 -4.94 117.00 125.35 1pma n LEU 187 Ca -0.08 0.91 -0.42 0.00 -0.02 0.00 0.00 56.01 56.41 1pma n LEU 187 Cb 0.51 -1.54 -0.03 0.00 -1.62 0.00 0.00 43.42 40.74 1pma n LEU 187 CO 0.38 -0.90 1.06 -2.84 -1.22 0.00 0.00 177.39 173.87 1pma s PRO 188 N -3.01 4.33 0.26 3.23 0.02 -1.26 -4.82 135.00 133.75 1pma s PRO 188 Ca 0.76 2.12 -0.11 0.00 0.02 0.00 0.00 61.00 63.79 1pma s PRO 188 Cb -0.41 -3.20 0.38 0.00 0.02 0.00 0.00 34.50 31.29 1pma s PRO 188 CO 0.46 -0.39 1.56 0.00 -0.33 0.00 0.00 177.00 178.30 1pma h THR 189 N 3.97 0.04 -0.03 0.99 1.03 -1.98 -0.10 112.91 116.83 1pma h THR 189 Ca -0.43 0.00 0.02 0.00 -0.01 0.00 0.00 66.41 65.98 1pma h THR 189 Cb 1.21 0.04 -0.02 0.00 -1.07 0.00 0.00 68.15 68.31 1pma h THR 189 CO 0.83 0.00 -0.08 -2.24 -0.01 0.00 0.00 175.52 174.02 1pma h ASP 190 N -0.01 -0.24 -0.93 0.00 3.04 -1.99 -1.50 116.42 114.79 1pma h ASP 190 Ca 0.43 0.04 0.16 0.00 -3.24 0.00 0.00 57.03 54.42 1pma h ASP 190 Cb 0.67 0.11 -0.08 0.00 -1.04 0.00 0.00 39.33 38.99 1pma h ASP 190 CO -0.98 -0.12 0.59 -0.61 -2.04 0.00 0.00 179.24 176.09 1pma h GLN 191 N -0.13 0.66 0.64 4.15 4.15 -1.41 0.15 115.11 123.30 1pma h GLN 191 Ca 0.04 -0.04 -0.03 0.00 0.77 0.00 0.00 58.65 59.39 1pma h GLN 191 Cb 0.18 -0.15 0.01 0.00 0.21 0.00 0.00 27.48 27.73 1pma h GLN 191 CO -0.10 0.44 -0.31 0.82 -1.93 0.00 0.00 178.83 177.75 1pma h ILE 192 N 0.68 0.15 -0.12 2.39 2.04 -0.87 -2.29 117.51 119.49 1pma h ILE 192 Ca 0.49 -0.34 0.04 0.00 1.00 0.00 0.00 64.86 66.04 1pma h ILE 192 Cb 0.83 0.21 -0.00 0.00 -0.74 0.00 0.00 36.82 37.12 1pma h ILE 192 CO -0.24 0.02 0.13 1.05 0.00 0.00 0.00 178.15 179.10 1pma h GLU 193 N -1.14 0.00 0.75 2.37 4.11 -0.37 -1.15 114.58 119.15 1pma h GLU 193 Ca -0.09 0.00 -0.04 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 29.95 1pma h GLU 193 CO 0.14 0.00 -0.36 1.03 0.07 0.00 0.00 179.01 179.89 1pma h SER 194 N 0.00 -0.85 -0.91 3.06 0.87 -0.60 -1.75 113.55 113.37 1pma h SER 194 Ca 0.06 0.01 0.17 0.00 -1.23 0.00 0.00 61.79 60.80 1pma h SER 194 Cb 0.31 0.22 -0.07 0.00 -0.44 0.00 0.00 62.40 62.42 1pma h SER 194 CO -0.00 -0.51 0.59 0.03 -0.53 0.00 0.00 176.83 176.41 1pma h ARG 195 N -1.19 0.56 0.46 2.24 3.08 -0.65 0.10 114.38 118.98 1pma h ARG 195 Ca -0.10 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 59.90 1pma h ARG 195 Cb 0.79 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 30.70 1pma h ARG 195 CO 0.17 0.37 -0.44 0.82 -1.07 0.00 0.00 179.97 179.82 1pma h ILE 196 N 0.57 0.00 -0.43 2.04 2.04 -1.03 -0.02 117.51 120.68 1pma h ILE 196 Ca 0.47 0.00 0.09 0.00 1.00 0.00 0.00 64.86 66.42 1pma h ILE 196 Cb 0.94 0.00 -0.09 0.00 -0.74 0.00 0.00 36.82 36.92 1pma h ILE 196 CO -0.22 0.00 -0.29 -0.09 0.00 0.00 0.00 178.15 177.55 1pma h ARG 197 N -0.89 -0.20 -1.00 2.37 2.43 -0.22 0.00 114.38 116.87 1pma h ARG 197 Ca -0.06 0.01 0.12 0.00 -0.81 0.00 0.00 59.98 59.24 1pma h ARG 197 Cb 0.76 0.05 -0.08 0.00 -0.42 0.00 0.00 29.97 30.28 1pma h ARG 197 CO -0.04 -0.13 0.63 -0.22 -1.51 0.00 0.00 179.97 178.70 1pma h LYS 198 N -0.21 0.97 0.00 0.20 3.64 -0.87 -0.52 116.57 119.78 1pma h LYS 198 Ca 0.19 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.51 1pma h LYS 198 Cb 0.52 -0.22 0.00 0.00 -0.41 0.00 0.00 32.23 32.12 1pma h LYS 198 CO -0.55 0.64 0.00 -0.07 -2.27 0.00 0.00 179.45 177.21 1pma h LEU 199 N 1.00 0.00 0.00 5.20 3.38 0.91 -3.46 115.31 122.34 1pma h LEU 199 Ca 0.49 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.46 1pma h LEU 199 Cb 0.46 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.21 1pma h LEU 199 CO -0.25 0.00 0.00 0.61 0.09 0.00 0.00 178.44 178.89 1pma n GLY 200 N 0.56 0.62 2.43 0.83 0.00 -0.20 -5.06 105.19 104.38 1pma n GLY 200 Ca 0.03 -0.19 -0.18 0.00 0.00 0.00 0.00 46.02 45.69 1pma n GLY 200 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1pma n LEU 201 N 0.00 0.00 -4.04 0.99 4.32 -1.01 -5.02 117.00 112.24 1pma n LEU 201 Ca 0.00 -1.00 -0.09 0.00 -0.02 0.00 0.00 56.01 54.91 1pma n LEU 201 Cb 0.00 -0.60 -0.11 0.00 -1.62 0.00 0.00 43.42 41.10 1pma n LEU 201 CO 0.00 -1.04 -0.36 -0.51 -1.22 0.00 0.00 177.39 174.25 1pma s ILE 202 N -2.64 0.22 0.00 -0.08 2.07 -1.26 -4.57 121.20 114.94 1pma s ILE 202 Ca 0.46 -1.33 0.00 0.00 -1.41 0.00 0.00 60.65 58.37 1pma s ILE 202 Cb -0.01 -0.86 0.00 0.00 0.13 0.00 0.00 42.46 41.71 1pma s ILE 202 CO 0.32 -0.71 0.00 -0.11 -1.91 0.00 0.00 174.94 172.53