#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 0.12 1.09 -1.32 -1.26 -0.01 115.64 114.24 1pma s THR 2 Ca 0.00 0.06 0.01 0.00 -1.21 0.00 0.00 61.69 60.55 1pma s THR 2 Cb 0.00 -0.21 -0.04 0.00 -1.51 0.00 0.00 72.50 70.73 1pma s THR 2 CO 0.00 0.02 -0.03 0.42 -2.21 0.00 0.00 174.62 172.83 1pma s THR 3 N 0.44 0.57 -0.24 5.08 -4.23 -0.47 -2.14 115.64 114.66 1pma s THR 3 Ca -0.03 -1.93 -0.20 0.00 -1.18 0.00 0.00 61.69 58.35 1pma s THR 3 Cb -0.04 -1.85 0.06 0.00 1.34 0.00 0.00 72.50 72.01 1pma s THR 3 CO -0.02 -0.71 0.62 0.54 -0.54 0.00 0.00 174.62 174.51 1pma s VAL 4 N -3.72 -0.00 -0.02 2.29 0.11 -0.57 -1.02 120.40 117.47 1pma s VAL 4 Ca 0.17 0.01 0.07 0.00 -2.93 0.00 0.00 61.98 59.30 1pma s VAL 4 Cb 0.06 -0.87 -0.02 0.00 -1.53 0.00 0.00 36.38 34.02 1pma s VAL 4 CO -0.02 0.00 -0.24 -0.83 -3.33 0.00 0.00 175.10 170.69 1pma s GLY 5 N 0.60 1.16 0.01 6.54 0.00 -0.35 -1.51 107.32 113.77 1pma s GLY 5 Ca -0.02 -1.02 0.01 0.00 0.00 0.00 0.00 44.72 43.69 1pma s GLY 5 CO -0.03 -0.85 -0.03 -1.50 0.00 0.00 0.00 173.10 170.69 1pma s ILE 6 N -0.56 0.24 -0.03 0.90 2.07 -0.11 -1.17 121.20 122.54 1pma s ILE 6 Ca 0.09 -0.34 -0.01 0.00 -1.41 0.00 0.00 60.65 58.98 1pma s ILE 6 Cb -0.09 -0.25 -0.04 0.00 0.13 0.00 0.00 42.46 42.21 1pma s ILE 6 CO -0.01 -0.07 0.07 -0.89 -1.91 0.00 0.00 174.94 172.13 1pma s THR 7 N -0.41 4.70 -0.27 4.00 2.01 0.11 -1.69 115.64 124.09 1pma s THR 7 Ca -0.03 -0.32 -0.25 0.00 0.31 0.00 0.00 61.69 61.40 1pma s THR 7 Cb -0.03 -3.10 0.09 0.00 0.01 0.00 0.00 72.50 69.46 1pma s THR 7 CO -0.00 0.43 0.82 -1.48 -0.69 0.00 0.00 174.62 173.71 1pma s LEU 8 N -1.47 -0.65 0.00 4.42 0.05 -1.02 -4.87 118.68 115.13 1pma s LEU 8 Ca 0.20 1.24 0.00 0.00 0.05 0.00 0.00 54.13 55.62 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 0.10 -0.22 0.00 1.17 -0.55 0.00 0.00 176.35 176.85 1pma n LYS 9 N 2.50 0.00 -2.13 1.48 3.00 -1.26 -0.56 118.16 121.19 1pma n LYS 9 Ca -0.14 0.00 -0.18 0.00 -0.00 0.00 0.00 58.31 57.99 1pma n LYS 9 Cb 0.55 0.00 0.03 0.00 0.00 0.00 0.00 35.03 35.62 1pma n LYS 9 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 1pma n ASP 10 N 0.66 4.12 -3.73 3.14 8.00 -1.26 -4.80 116.55 122.69 1pma n ASP 10 Ca 0.00 -3.40 -0.06 0.00 0.71 0.00 0.00 54.79 52.05 1pma n ASP 10 Cb 0.00 -0.37 -0.01 0.00 -0.02 0.00 0.00 41.12 40.71 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 -3.60 -1.36 -0.01 2.24 0.00 0.28 -4.43 121.76 114.87 1pma s ALA 11 Ca 0.46 -0.18 0.00 0.00 0.00 0.00 0.00 51.96 52.23 1pma s ALA 11 Cb 0.39 0.75 0.02 0.00 0.00 0.00 0.00 23.12 24.28 1pma s ALA 11 CO 0.02 -1.04 0.01 0.54 0.00 0.00 0.00 175.76 175.29 1pma s VAL 12 N -3.48 -0.00 0.08 0.00 0.11 -0.66 -2.43 120.40 114.02 1pma s VAL 12 Ca 0.12 0.11 0.09 0.00 -2.93 0.00 0.00 61.98 59.38 1pma s VAL 12 Cb -0.04 -0.08 -0.03 0.00 -1.53 0.00 0.00 36.38 34.69 1pma s VAL 12 CO 0.06 0.06 -0.24 -0.63 -3.33 0.00 0.00 175.10 171.02 1pma s ILE 13 N 0.65 2.43 -0.04 7.04 1.01 -0.68 -0.36 121.20 131.24 1pma s ILE 13 Ca -0.06 -1.49 -0.03 0.00 0.00 0.00 0.00 60.65 59.08 1pma s ILE 13 Cb -0.08 -2.03 0.01 0.00 0.01 0.00 0.00 42.46 40.37 1pma s ILE 13 CO -0.02 0.23 0.10 -0.04 0.00 0.00 0.00 174.94 175.21 1pma s MET 14 N -1.69 0.10 0.11 2.79 -1.94 0.16 -0.93 119.30 117.90 1pma s MET 14 Ca 0.14 0.17 -0.07 0.00 -1.71 0.00 0.00 55.69 54.22 1pma s MET 14 Cb -0.10 0.00 -0.01 0.00 2.01 0.00 0.00 34.83 36.73 1pma s MET 14 CO 0.05 -0.04 0.17 0.00 -0.01 0.00 0.00 175.02 175.19 1pma s ALA 15 N 0.28 0.10 0.15 3.03 0.00 -0.57 -0.21 121.76 124.53 1pma s ALA 15 Ca -0.02 -0.90 -0.19 0.00 0.00 0.00 0.00 51.96 50.85 1pma s ALA 15 Cb -0.03 0.62 0.05 0.00 0.00 0.00 0.00 23.12 23.76 1pma s ALA 15 CO -0.01 -0.53 0.50 0.95 0.00 0.00 0.00 175.76 176.67 1pma s THR 16 N -3.93 0.04 0.00 0.00 -4.23 -0.87 -1.51 115.64 105.14 1pma s THR 16 Ca 0.12 -0.33 0.00 0.00 -1.18 0.00 0.00 61.69 60.29 1pma s THR 16 Cb 0.05 -1.12 0.00 0.00 1.34 0.00 0.00 72.50 72.77 1pma s THR 16 CO -0.06 -0.16 0.00 -1.84 -0.54 0.00 0.00 174.62 172.02 1pma n GLU 17 N -0.30 2.98 -2.41 3.99 -0.00 -0.91 -1.13 120.64 122.85 1pma n GLU 17 Ca -0.16 0.00 -0.03 0.00 -0.00 0.00 0.00 57.16 56.97 1pma n GLU 17 Cb 0.64 0.00 0.09 0.00 -0.00 0.00 0.00 31.44 32.17 1pma n GLU 17 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.13 180.02 1pma n ARG 18 N 0.00 1.17 -3.36 3.44 1.85 -0.96 -4.65 116.66 114.15 1pma n ARG 18 Ca 0.00 -1.33 -0.38 0.00 -1.00 0.00 0.00 57.85 55.14 1pma n ARG 18 Cb 0.00 0.31 -0.06 0.00 -1.05 0.00 0.00 32.46 31.65 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 -0.14 4.31 -0.18 2.89 3.52 -0.93 -0.33 118.95 128.09 1pma s ARG 19 Ca 0.09 0.36 -0.01 0.00 -0.13 0.00 0.00 55.73 56.03 1pma s ARG 19 Cb 0.37 -3.44 -0.00 0.00 -1.56 0.00 0.00 34.95 30.31 1pma s ARG 19 CO -0.10 0.15 -0.11 0.14 -0.81 0.00 0.00 175.30 174.57 1pma s VAL 20 N 0.66 2.95 0.14 7.11 -7.23 -0.12 -4.61 120.40 119.31 1pma s VAL 20 Ca 0.23 -0.66 0.07 0.00 -1.81 0.00 0.00 61.98 59.81 1pma s VAL 20 Cb -0.15 -2.29 -0.04 0.00 0.56 0.00 0.00 36.38 34.47 1pma s VAL 20 CO 0.09 0.49 -0.15 0.28 -0.31 0.00 0.00 175.10 175.49 1pma s THR 21 N 1.02 1.46 -0.65 5.32 -1.32 -1.26 -1.70 115.64 118.50 1pma s THR 21 Ca -0.01 -1.80 0.01 0.00 -1.21 0.00 0.00 61.69 58.69 1pma s THR 21 Cb -0.15 -1.64 0.16 0.00 -1.51 0.00 0.00 72.50 69.36 1pma s THR 21 CO -0.02 -0.41 0.44 -0.32 -2.21 0.00 0.00 174.62 172.10 1pma s MET 22 N -2.78 2.46 4.03 7.08 -2.45 -0.90 -4.94 119.30 121.81 1pma s MET 22 Ca 0.11 -2.87 0.00 0.00 -1.25 0.00 0.00 55.69 51.68 1pma s MET 22 Cb -0.05 -3.56 0.00 0.00 1.25 0.00 0.00 34.83 32.47 1pma s MET 22 CO 0.04 -1.19 0.00 0.39 1.05 0.00 0.00 175.02 175.31 1pma n GLU 23 N 2.83 0.00 -0.00 4.11 1.02 -1.26 -2.06 120.64 125.28 1pma n GLU 23 Ca 0.12 0.00 0.04 0.00 -0.02 0.00 0.00 57.16 57.30 1pma n GLU 23 Cb 0.35 0.00 -0.06 0.00 -0.02 0.00 0.00 31.44 31.71 1pma n GLU 23 CO 0.00 0.00 0.00 0.27 1.18 0.00 0.00 177.13 178.58 1pma n ASN 24 N 7.33 2.01 -4.56 1.62 6.94 -1.26 -4.87 115.26 122.48 1pma n ASN 24 Ca 0.00 -0.27 -0.38 0.00 -0.02 0.00 0.00 54.58 53.91 1pma n ASN 24 Cb 0.00 1.24 -0.03 0.00 -2.36 0.00 0.00 39.78 38.62 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 -2.28 2.31 -0.52 -2.53 5.36 -0.88 -4.93 117.98 114.52 1pma s PHE 25 Ca -0.01 -0.35 -0.27 0.00 -0.96 0.00 0.00 56.93 55.34 1pma s PHE 25 Cb 0.06 -4.53 -0.01 0.00 -0.34 0.00 0.00 43.02 38.20 1pma s PHE 25 CO 0.35 -1.94 1.70 -1.50 -1.46 0.00 0.00 175.22 172.37 1pma s ILE 26 N 6.33 3.53 -0.13 3.12 -1.16 -1.26 -2.11 121.20 129.52 1pma s ILE 26 Ca 0.50 0.43 0.20 0.00 -0.51 0.00 0.00 60.65 61.28 1pma s ILE 26 Cb -0.03 -4.02 -0.18 0.00 0.61 0.00 0.00 42.46 38.84 1pma s ILE 26 CO -0.03 -0.85 0.65 0.80 -2.81 0.00 0.00 174.94 172.70 1pma n MET 27 N 8.80 0.64 -3.87 3.50 0.00 -1.19 -4.90 117.12 120.10 1pma n MET 27 Ca 0.19 0.04 -0.23 0.00 -0.00 0.00 0.00 57.70 57.69 1pma n MET 27 Cb 0.50 -1.68 -0.17 0.00 0.00 0.00 0.00 33.22 31.86 1pma n MET 27 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 175.97 174.96 1pma s HIS 28 N -3.14 0.85 -0.27 1.12 3.76 -0.69 -5.03 115.29 111.90 1pma s HIS 28 Ca -0.05 -0.29 0.21 0.00 -0.15 0.00 0.00 55.06 54.77 1pma s HIS 28 Cb 0.10 -0.87 0.10 0.00 1.11 0.00 0.00 32.58 33.02 1pma s HIS 28 CO 0.84 -0.34 1.26 0.87 -0.85 0.00 0.00 174.74 176.52 1pma h LYS 29 N 8.09 0.00 -2.66 1.40 1.57 -1.85 -0.29 116.57 122.83 1pma h LYS 29 Ca -0.25 0.00 -0.60 0.00 -1.87 0.00 0.00 60.65 57.93 1pma h LYS 29 Cb 1.13 0.00 -0.40 0.00 0.08 0.00 0.00 32.23 33.04 1pma h LYS 29 CO 0.33 0.12 -0.78 0.09 -0.57 0.00 0.00 179.45 178.63 1pma n ASN 30 N -2.93 1.32 -4.69 0.86 5.03 -1.25 -4.44 115.26 109.15 1pma n ASN 30 Ca 0.00 -2.81 -0.24 0.00 0.87 0.00 0.00 54.58 52.40 1pma n ASN 30 Cb 0.61 -0.65 0.10 0.00 -1.02 0.00 0.00 39.78 38.82 1pma n ASN 30 CO 0.00 0.00 0.00 -0.83 -1.83 0.00 0.00 177.26 174.60 1pma s GLY 31 N -0.80 1.76 -0.09 7.41 0.00 0.55 -5.05 107.32 111.11 1pma s GLY 31 Ca 0.30 -1.66 0.03 0.00 0.00 0.00 0.00 44.72 43.38 1pma s GLY 31 CO -0.17 -1.11 -0.17 1.25 0.00 0.00 0.00 173.10 172.89 1pma s LYS 32 N -5.14 2.30 0.00 2.90 2.20 -1.26 -4.78 119.74 115.96 1pma s LYS 32 Ca 0.66 -0.61 0.00 0.00 -0.36 0.00 0.00 55.97 55.65 1pma s LYS 32 Cb -0.06 -1.84 0.00 0.00 -1.51 0.00 0.00 37.83 34.42 1pma s LYS 32 CO 0.44 0.05 0.63 1.63 -0.36 0.00 0.00 175.35 177.75 1pma n LYS 33 N 3.82 0.90 -5.18 4.03 5.02 -1.26 -4.96 118.16 120.53 1pma n LYS 33 Ca -0.21 -0.83 -0.31 0.00 -2.02 0.00 0.00 58.31 54.94 1pma n LYS 33 Cb 0.52 -0.85 -0.17 0.00 -0.02 0.00 0.00 35.03 34.52 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 -0.40 2.04 -0.01 -0.35 2.96 -1.26 -1.97 118.68 119.69 1pma s LEU 34 Ca 0.00 -0.51 0.00 0.00 -0.22 0.00 0.00 54.13 53.41 1pma s LEU 34 Cb 0.00 -1.33 0.01 0.00 0.50 0.00 0.00 46.19 45.37 1pma s LEU 34 CO 0.00 0.20 0.00 -0.36 -1.32 0.00 0.00 176.35 174.87 1pma s PHE 35 N 0.07 0.04 0.16 5.38 0.08 -0.58 -5.02 117.98 118.11 1pma s PHE 35 Ca -0.10 0.02 -0.28 0.00 0.12 0.00 0.00 56.93 56.69 1pma s PHE 35 Cb -0.15 -0.08 -0.07 0.00 -0.57 0.00 0.00 43.02 42.15 1pma s PHE 35 CO 0.05 -0.02 0.88 -1.14 -0.10 0.00 0.00 175.22 174.89 1pma s GLN 36 N 0.25 4.69 -0.00 0.44 0.74 -1.26 -1.27 119.66 123.25 1pma s GLN 36 Ca -0.02 1.34 0.03 0.00 0.05 0.00 0.00 55.36 56.76 1pma s GLN 36 Cb -0.03 -3.32 -0.04 0.00 1.10 0.00 0.00 33.01 30.72 1pma s GLN 36 CO -0.01 0.41 0.11 1.51 -0.55 0.00 0.00 175.29 176.77 1pma n ILE 37 N 2.08 0.00 -3.60 -2.34 3.06 0.41 -4.92 119.36 114.05 1pma n ILE 37 Ca -0.02 -0.29 -0.07 0.00 -2.50 0.00 0.00 62.75 59.87 1pma n ILE 37 Cb 0.48 0.78 -0.04 0.00 0.54 0.00 0.00 39.64 41.40 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 -1.72 -0.24 0.20 9.51 2.15 -1.01 -4.69 116.67 120.88 1pma s ASP 38 Ca 0.00 0.23 0.07 0.00 0.43 0.00 0.00 52.55 53.28 1pma s ASP 38 Cb 0.02 0.20 0.63 0.00 -0.30 0.00 0.00 42.92 43.47 1pma s ASP 38 CO 0.13 -0.24 0.93 0.35 -0.17 0.00 0.00 175.17 176.17 1pma n THR 39 N 0.54 -0.25 -1.64 1.71 -2.24 -1.26 0.28 114.28 111.41 1pma n THR 39 Ca -0.06 1.25 -0.05 0.00 -2.27 0.00 0.00 64.05 62.93 1pma n THR 39 Cb 0.58 -1.93 0.16 0.00 -2.10 0.00 0.00 70.33 67.05 1pma n THR 39 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 1pma n TYR 40 N -4.55 1.03 -3.54 4.78 4.01 -1.26 -2.92 117.16 114.71 1pma n TYR 40 Ca 0.18 -1.74 -0.17 0.00 -0.16 0.00 0.00 57.90 56.01 1pma n TYR 40 Cb 0.61 -0.39 -0.06 0.00 -0.31 0.00 0.00 39.34 39.19 1pma n TYR 40 CO 0.00 0.00 0.00 -0.08 -0.46 0.00 0.00 176.86 176.32 1pma s THR 41 N -3.59 0.01 0.23 -0.72 -1.32 0.14 -2.06 115.64 108.33 1pma s THR 41 Ca 0.44 -0.06 0.01 0.00 -1.21 0.00 0.00 61.69 60.87 1pma s THR 41 Cb 0.40 -0.96 -0.04 0.00 -1.51 0.00 0.00 72.50 70.39 1pma s THR 41 CO -0.03 -0.03 0.18 -0.83 -2.21 0.00 0.00 174.62 171.70 1pma s GLY 42 N -1.33 1.64 -0.07 6.08 0.00 0.29 -0.45 107.32 113.49 1pma s GLY 42 Ca -0.10 -1.77 -0.13 0.00 0.00 0.00 0.00 44.72 42.71 1pma s GLY 42 CO 0.08 -1.40 0.32 -0.29 0.00 0.00 0.00 173.10 171.81 1pma s MET 43 N -3.98 0.53 -0.13 2.90 1.75 -0.39 -1.31 119.30 118.66 1pma s MET 43 Ca 0.39 0.12 0.01 0.00 -1.25 0.00 0.00 55.69 54.96 1pma s MET 43 Cb 0.06 0.24 -0.01 0.00 2.84 0.00 0.00 34.83 37.96 1pma s MET 43 CO 0.16 -0.12 -0.15 0.95 -0.65 0.00 0.00 175.02 175.21 1pma s THR 44 N -0.60 2.83 0.02 10.11 -4.23 0.71 -1.53 115.64 122.95 1pma s THR 44 Ca -0.07 -0.74 -0.13 0.00 -1.18 0.00 0.00 61.69 59.58 1pma s THR 44 Cb -0.04 -2.18 -0.06 0.00 1.34 0.00 0.00 72.50 71.57 1pma s THR 44 CO 0.02 0.53 0.39 -0.63 -0.54 0.00 0.00 174.62 174.39 1pma s ILE 45 N 0.44 5.08 -0.29 2.99 1.01 -0.83 -2.34 121.20 127.25 1pma s ILE 45 Ca -0.11 0.66 -0.14 0.00 0.00 0.00 0.00 60.65 61.07 1pma s ILE 45 Cb -0.16 -3.67 0.11 0.00 0.01 0.00 0.00 42.46 38.75 1pma s ILE 45 CO 0.05 0.47 0.73 0.00 0.00 0.00 0.00 174.94 176.20 1pma s ALA 46 N -1.20 -2.06 0.00 9.38 0.00 -1.15 -4.87 121.76 121.86 1pma s ALA 46 Ca 0.27 2.34 0.00 0.00 0.00 0.00 0.00 51.96 54.57 1pma s ALA 46 Cb -0.15 -1.65 0.00 0.00 0.00 0.00 0.00 23.12 21.32 1pma s ALA 46 CO 0.15 -0.63 0.00 0.41 0.00 0.00 0.00 175.76 175.68 1pma n GLY 47 N 4.73 0.67 3.67 0.00 0.00 -1.26 0.07 105.19 113.06 1pma n GLY 47 Ca -0.16 -1.53 -0.43 0.00 0.00 0.00 0.00 46.02 43.91 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 4.22 0.13 0.99 2.96 -0.25 -4.93 118.68 121.80 1pma s LEU 48 Ca 0.00 1.77 -0.31 0.00 -0.22 0.00 0.00 54.13 55.36 1pma s LEU 48 Cb 0.00 -3.54 -0.08 0.00 0.50 0.00 0.00 46.19 43.07 1pma s LEU 48 CO 0.00 -0.72 1.56 -0.37 -1.32 0.00 0.00 176.35 175.50 1pma h VAL 49 N 5.34 0.05 -0.82 1.68 -1.51 -1.96 -0.83 116.25 118.20 1pma h VAL 49 Ca -0.30 0.00 0.09 0.00 -1.23 0.00 0.00 66.70 65.26 1pma h VAL 49 Cb 1.12 0.05 -0.11 0.00 -2.13 0.00 0.00 31.29 30.22 1pma h VAL 49 CO 0.94 0.00 -0.54 1.23 -1.23 0.00 0.00 177.57 177.97 1pma h GLY 50 N -0.47 -0.73 0.89 5.19 0.00 -1.97 0.27 103.07 106.25 1pma h GLY 50 Ca 0.07 0.72 0.02 0.00 0.00 0.00 0.00 47.33 48.15 1pma h GLY 50 CO -0.50 -0.04 0.40 -0.55 0.00 0.00 0.00 176.54 175.85 1pma h ASP 51 N -0.11 0.66 0.13 0.19 3.32 -1.85 -2.37 116.42 116.39 1pma h ASP 51 Ca 0.16 -0.00 0.02 0.00 0.02 0.00 0.00 57.03 57.23 1pma h ASP 51 Cb 0.49 -0.14 -0.04 0.00 0.22 0.00 0.00 39.33 39.86 1pma h ASP 51 CO -0.84 0.46 -0.30 0.00 -1.72 0.00 0.00 179.24 176.84 1pma h ALA 52 N 1.27 -0.51 0.31 3.45 0.00 0.77 -1.26 119.26 123.28 1pma h ALA 52 Ca 0.25 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 1pma h ALA 52 Cb 0.00 0.48 0.00 0.00 0.00 0.00 0.00 17.79 18.28 1pma h ALA 52 CO -0.10 -0.84 -0.15 1.96 0.00 0.00 0.00 179.25 180.13 1pma h GLN 53 N -0.52 -0.40 -0.84 0.00 4.20 -0.39 -1.53 115.11 115.64 1pma h GLN 53 Ca 0.03 0.03 0.09 0.00 0.06 0.00 0.00 58.65 58.86 1pma h GLN 53 Cb 0.55 0.09 -0.06 0.00 0.30 0.00 0.00 27.48 28.36 1pma h GLN 53 CO -0.17 -0.24 0.54 -0.24 -0.67 0.00 0.00 178.83 178.06 1pma h VAL 54 N -0.44 0.97 -0.40 -0.54 3.04 -1.40 0.57 116.25 118.04 1pma h VAL 54 Ca -0.04 -0.28 -0.01 0.00 -1.01 0.00 0.00 66.70 65.36 1pma h VAL 54 Cb 0.34 0.08 -0.02 0.00 -2.01 0.00 0.00 31.29 29.68 1pma h VAL 54 CO 0.07 0.15 0.23 0.25 -1.01 0.00 0.00 177.57 177.26 1pma h LEU 55 N 0.81 0.49 -0.56 3.16 5.85 -0.95 -1.81 115.31 122.31 1pma h LEU 55 Ca 0.38 -0.07 0.03 0.00 0.84 0.00 0.00 57.88 59.06 1pma h LEU 55 Cb 0.40 -0.12 -0.04 0.00 0.37 0.00 0.00 40.66 41.27 1pma h LEU 55 CO -0.15 0.42 0.34 1.62 -0.34 0.00 0.00 178.44 180.33 1pma h VAL 56 N 0.52 1.06 -0.03 1.05 3.04 0.13 -1.29 116.25 120.73 1pma h VAL 56 Ca 0.14 -0.23 0.00 0.00 -1.01 0.00 0.00 66.70 65.60 1pma h VAL 56 Cb 0.03 0.33 -0.00 0.00 -2.01 0.00 0.00 31.29 29.64 1pma h VAL 56 CO -0.02 0.12 0.01 0.03 -1.01 0.00 0.00 177.57 176.70 1pma h ARG 57 N 0.67 0.03 0.27 4.17 3.08 -1.12 0.82 114.38 122.30 1pma h ARG 57 Ca 0.22 -0.00 0.01 0.00 0.07 0.00 0.00 59.98 60.28 1pma h ARG 57 Cb 0.02 -0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.03 1pma h ARG 57 CO -0.10 0.02 -0.42 1.88 -1.07 0.00 0.00 179.97 180.28 1pma h TYR 58 N 0.03 -1.16 -0.71 3.04 -1.99 -0.92 -1.60 116.97 113.66 1pma h TYR 58 Ca 0.01 0.02 0.15 0.00 2.00 0.00 0.00 58.73 60.91 1pma h TYR 58 Cb 0.01 0.47 -0.11 0.00 2.00 0.00 0.00 36.73 39.10 1pma h TYR 58 CO -0.09 -0.55 0.13 1.98 -0.00 0.00 0.00 178.16 179.64 1pma h MET 59 N -0.75 0.22 0.36 4.88 4.05 -1.07 0.13 114.93 122.75 1pma h MET 59 Ca -0.01 -0.01 -0.01 0.00 -0.28 0.00 0.00 59.70 59.38 1pma h MET 59 Cb 0.72 -0.05 -0.01 0.00 -0.80 0.00 0.00 31.60 31.46 1pma h MET 59 CO -0.15 0.15 -0.31 -0.22 0.23 0.00 0.00 176.91 176.60 1pma h LYS 60 N 0.23 -0.64 -0.14 0.39 3.64 -0.36 -1.18 116.57 118.51 1pma h LYS 60 Ca 0.39 0.04 0.02 0.00 -1.27 0.00 0.00 60.65 59.83 1pma h LYS 60 Cb 0.66 0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 32.61 1pma h LYS 60 CO -0.52 -0.42 0.03 0.00 -2.27 0.00 0.00 179.45 176.27 1pma h ALA 61 N -1.29 0.15 -1.00 5.00 0.00 -1.00 -1.83 119.26 119.29 1pma h ALA 61 Ca -0.05 0.02 0.22 0.00 0.00 0.00 0.00 54.91 55.10 1pma h ALA 61 Cb 0.56 0.02 -0.10 0.00 0.00 0.00 0.00 17.79 18.27 1pma h ALA 61 CO -0.01 -0.41 0.62 1.49 0.00 0.00 0.00 179.25 180.94 1pma h GLU 62 N 0.10 0.57 -0.15 0.00 4.57 -0.71 -0.40 114.58 118.56 1pma h GLU 62 Ca 0.06 -0.03 -0.17 0.00 -1.18 0.00 0.00 59.36 58.04 1pma h GLU 62 Cb 0.05 -0.13 0.01 0.00 -0.16 0.00 0.00 28.75 28.52 1pma h GLU 62 CO -0.08 0.37 -0.58 -0.07 -1.18 0.00 0.00 179.01 177.48 1pma h LEU 63 N 0.58 0.77 0.01 1.64 4.07 -0.68 -3.00 115.31 118.71 1pma h LEU 63 Ca 0.57 -0.61 -0.00 0.00 0.08 0.00 0.00 57.88 57.92 1pma h LEU 63 Cb 1.14 -0.22 0.00 0.00 1.08 0.00 0.00 40.66 42.66 1pma h LEU 63 CO -0.33 1.25 -0.01 -0.08 -1.08 0.00 0.00 178.44 178.19 1pma h GLU 64 N 0.33 -0.02 -0.44 1.13 4.81 -0.32 -1.58 114.58 118.49 1pma h GLU 64 Ca -0.03 0.00 0.07 0.00 -0.13 0.00 0.00 59.36 59.27 1pma h GLU 64 Cb 1.21 0.00 -0.06 0.00 0.63 0.00 0.00 28.75 30.53 1pma h GLU 64 CO 0.12 0.10 0.08 1.25 -0.73 0.00 0.00 179.01 179.83 1pma h LEU 65 N -0.13 -0.01 -0.62 1.64 5.85 -1.27 -0.74 115.31 120.04 1pma h LEU 65 Ca -0.00 0.08 0.03 0.00 0.84 0.00 0.00 57.88 58.82 1pma h LEU 65 Cb 0.13 0.11 -0.04 0.00 0.37 0.00 0.00 40.66 41.22 1pma h LEU 65 CO 0.00 0.03 0.38 0.22 -0.34 0.00 0.00 178.44 178.74 1pma h TYR 66 N 0.21 0.71 -0.19 1.25 5.03 -1.43 -1.21 116.97 121.34 1pma h TYR 66 Ca 0.21 0.02 0.04 0.00 2.58 0.00 0.00 58.73 61.59 1pma h TYR 66 Cb 0.27 -0.23 -0.04 0.00 1.55 0.00 0.00 36.73 38.28 1pma h TYR 66 CO -0.22 0.41 -0.08 -0.09 -1.32 0.00 0.00 178.16 176.86 1pma h ARG 67 N 0.75 -0.05 0.35 1.82 2.43 -0.12 0.12 114.38 119.68 1pma h ARG 67 Ca 0.25 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.41 1pma h ARG 67 Cb 0.02 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.59 1pma h ARG 67 CO -0.10 -0.03 -0.18 -0.07 -1.51 0.00 0.00 179.97 178.08 1pma h LEU 68 N -0.05 -0.42 -0.06 3.80 4.07 -1.11 0.27 115.31 121.82 1pma h LEU 68 Ca 0.10 0.02 -0.00 0.00 0.08 0.00 0.00 57.88 58.08 1pma h LEU 68 Cb 0.20 0.11 -0.00 0.00 1.08 0.00 0.00 40.66 42.05 1pma h LEU 68 CO -0.23 -0.29 0.04 1.56 -1.08 0.00 0.00 178.44 178.44 1pma h GLN 69 N -0.48 0.08 -0.01 1.13 4.20 -1.07 -2.97 115.11 115.99 1pma h GLN 69 Ca -0.05 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.66 1pma h GLN 69 Cb 0.37 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.14 1pma h GLN 69 CO 0.07 0.08 -0.00 0.54 -0.67 0.00 0.00 178.83 178.85 1pma n ARG 70 N -5.03 1.57 -1.36 1.46 1.74 0.42 -4.91 116.66 110.54 1pma n ARG 70 Ca -0.06 -0.84 -0.14 0.00 -0.77 0.00 0.00 57.85 56.05 1pma n ARG 70 Cb 0.04 -1.48 -0.06 0.00 -1.02 0.00 0.00 32.46 29.94 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 0.02 -1.53 -3.80 5.56 3.00 0.95 -4.90 116.66 115.97 1pma n ARG 71 Ca 0.20 0.90 -0.10 0.00 -0.00 0.00 0.00 57.85 58.85 1pma n ARG 71 Cb 0.32 -5.20 -0.06 0.00 0.00 0.00 0.00 32.46 27.53 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 -2.12 0.09 0.25 5.15 0.11 -1.14 -5.02 120.40 117.72 1pma s VAL 72 Ca 0.00 -0.99 -0.27 0.00 -2.93 0.00 0.00 61.98 57.79 1pma s VAL 72 Cb 0.00 -1.44 -0.09 0.00 -1.53 0.00 0.00 36.38 33.32 1pma s VAL 72 CO 0.00 -0.39 0.89 0.20 -3.33 0.00 0.00 175.10 172.48 1pma s ASN 73 N -2.87 7.47 0.14 3.54 -0.87 -1.26 -4.12 114.94 116.96 1pma s ASN 73 Ca 0.08 1.82 -0.31 0.00 -1.57 0.00 0.00 52.86 52.88 1pma s ASN 73 Cb 0.03 -2.57 -0.08 0.00 -0.02 0.00 0.00 41.25 38.61 1pma s ASN 73 CO -0.07 0.09 1.29 -0.32 -2.57 0.00 0.00 177.10 175.52 1pma s MET 74 N -1.49 4.39 0.71 -0.60 -2.45 -1.26 -4.98 119.30 113.62 1pma s MET 74 Ca 0.43 1.97 -0.16 0.00 -1.25 0.00 0.00 55.69 56.68 1pma s MET 74 Cb -0.23 -3.25 0.03 0.00 1.25 0.00 0.00 34.83 32.63 1pma s MET 74 CO 0.28 -0.29 1.24 -2.14 1.05 0.00 0.00 175.02 175.16 1pma s PRO 75 N 0.54 2.21 0.10 4.11 0.02 -1.26 -4.78 135.00 135.94 1pma s PRO 75 Ca 0.59 1.89 -0.26 0.00 0.02 0.00 0.00 61.00 63.24 1pma s PRO 75 Cb -0.34 -1.83 -0.11 0.00 0.02 0.00 0.00 34.50 32.24 1pma s PRO 75 CO 0.33 -1.81 1.67 0.82 -0.33 0.00 0.00 177.00 177.68 1pma h ILE 76 N -0.05 0.60 -0.87 2.83 1.08 -1.94 -0.40 117.51 118.75 1pma h ILE 76 Ca -0.49 0.00 0.16 0.00 -0.39 0.00 0.00 64.86 64.14 1pma h ILE 76 Cb 1.31 0.60 -0.07 0.00 -3.07 0.00 0.00 36.82 35.59 1pma h ILE 76 CO 0.50 0.00 0.57 -0.08 -0.69 0.00 0.00 178.15 178.45 1pma h GLU 77 N -0.37 0.57 0.23 2.37 4.81 -1.99 0.58 114.58 120.80 1pma h GLU 77 Ca 0.01 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.20 1pma h GLU 77 Cb 0.37 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 29.62 1pma h GLU 77 CO -0.07 0.38 -0.11 0.00 -0.73 0.00 0.00 179.01 178.47 1pma h ALA 78 N 1.61 -0.31 -0.99 2.92 0.00 -1.48 0.27 119.26 121.28 1pma h ALA 78 Ca 0.44 -0.09 0.03 0.00 0.00 0.00 0.00 54.91 55.29 1pma h ALA 78 Cb 0.83 0.12 -0.06 0.00 0.00 0.00 0.00 17.79 18.69 1pma h ALA 78 CO -0.19 -0.65 0.65 -0.24 0.00 0.00 0.00 179.25 178.82 1pma h VAL 79 N -0.36 1.20 0.34 0.00 3.04 0.32 0.51 116.25 121.29 1pma h VAL 79 Ca -0.03 -0.44 -0.01 0.00 -1.01 0.00 0.00 66.70 65.21 1pma h VAL 79 Cb 0.28 -0.20 -0.01 0.00 -2.01 0.00 0.00 31.29 29.35 1pma h VAL 79 CO 0.05 0.23 -0.23 0.00 -1.01 0.00 0.00 177.57 176.62 1pma h ALA 80 N 1.41 -0.54 -0.19 3.17 0.00 -0.92 -0.65 119.26 121.54 1pma h ALA 80 Ca 0.39 -0.10 0.05 0.00 0.00 0.00 0.00 54.91 55.25 1pma h ALA 80 Cb -0.04 0.29 -0.06 0.00 0.00 0.00 0.00 17.79 17.99 1pma h ALA 80 CO -0.11 -0.82 -0.17 1.15 0.00 0.00 0.00 179.25 179.30 1pma h THR 81 N -0.55 0.54 -0.33 0.00 2.02 -0.18 0.43 112.91 114.84 1pma h THR 81 Ca -0.03 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.21 1pma h THR 81 Cb 0.47 0.54 -0.06 0.00 -1.74 0.00 0.00 68.15 67.36 1pma h THR 81 CO 0.02 0.00 -0.07 0.25 0.37 0.00 0.00 175.52 176.08 1pma h LEU 82 N -0.18 -0.29 -1.30 2.58 5.85 -0.69 0.03 115.31 121.30 1pma h LEU 82 Ca 0.12 0.10 -0.01 0.00 0.84 0.00 0.00 57.88 58.92 1pma h LEU 82 Cb 0.36 0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.56 1pma h LEU 82 CO -0.30 -0.10 0.31 0.25 -0.34 0.00 0.00 178.44 178.27 1pma h LEU 83 N 0.01 0.70 0.47 2.25 5.85 0.01 -0.64 115.31 123.96 1pma h LEU 83 Ca 0.16 -0.05 -0.02 0.00 0.84 0.00 0.00 57.88 58.81 1pma h LEU 83 Cb 0.24 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 41.09 1pma h LEU 83 CO -0.33 0.57 -0.24 -1.28 -0.34 0.00 0.00 178.44 176.82 1pma h SER 84 N 0.80 -0.57 -0.43 1.25 0.87 0.12 -2.29 113.55 113.30 1pma h SER 84 Ca 0.21 0.02 0.07 0.00 -1.23 0.00 0.00 61.79 60.86 1pma h SER 84 Cb 0.02 0.15 -0.06 0.00 -0.44 0.00 0.00 62.40 62.07 1pma h SER 84 CO -0.03 -0.40 0.07 0.78 -0.53 0.00 0.00 176.83 176.72 1pma h ASN 85 N -0.65 -0.03 -0.11 6.23 4.21 -0.37 -1.60 115.58 123.25 1pma h ASN 85 Ca -0.06 0.08 0.04 0.00 1.21 0.00 0.00 56.30 57.57 1pma h ASN 85 Cb 0.50 0.12 -0.05 0.00 -1.12 0.00 0.00 38.32 37.77 1pma h ASN 85 CO 0.10 0.02 -0.21 0.24 -1.29 0.00 0.00 177.43 176.29 1pma h MET 86 N 0.19 -0.26 0.34 0.81 2.86 -1.01 -1.97 114.93 115.89 1pma h MET 86 Ca 0.21 0.02 -0.02 0.00 -2.06 0.00 0.00 59.70 57.85 1pma h MET 86 Cb 0.27 0.06 0.00 0.00 0.06 0.00 0.00 31.60 32.00 1pma h MET 86 CO -0.29 -0.17 -0.16 -0.07 1.06 0.00 0.00 176.91 177.27 1pma h LEU 87 N -0.27 -0.39 -0.45 1.22 4.07 -1.09 -3.26 115.31 115.14 1pma h LEU 87 Ca 0.09 -0.06 0.06 0.00 0.08 0.00 0.00 57.88 58.06 1pma h LEU 87 Cb 0.41 0.10 -0.05 0.00 1.08 0.00 0.00 40.66 42.19 1pma h LEU 87 CO -0.27 -0.18 0.13 -1.13 -1.08 0.00 0.00 178.44 175.91 1pma h ASN 88 N -0.57 0.10 0.00 -0.43 -0.73 -1.26 0.05 115.58 112.74 1pma h ASN 88 Ca -0.05 0.06 0.00 0.00 1.87 0.00 0.00 56.30 58.18 1pma h ASN 88 Cb 0.42 0.06 0.00 0.00 0.27 0.00 0.00 38.32 39.07 1pma h ASN 88 CO 0.08 0.09 0.28 -0.61 -0.37 0.00 0.00 177.43 176.90 1pma h GLN 89 N 0.29 0.00 0.00 6.67 4.15 -1.40 0.18 115.11 125.00 1pma h GLN 89 Ca 0.21 0.00 -0.04 0.00 0.77 0.00 0.00 58.65 59.59 1pma h GLN 89 Cb 0.24 0.00 -0.09 0.00 0.21 0.00 0.00 27.48 27.83 1pma h GLN 89 CO -0.24 0.00 -0.52 1.55 -1.93 0.00 0.00 178.83 177.69 1pma n VAL 90 N -2.28 1.33 -0.26 2.39 3.14 -0.03 -4.87 118.33 117.75 1pma n VAL 90 Ca -0.01 -2.08 0.26 0.00 -2.96 0.00 0.00 64.34 59.54 1pma n VAL 90 Cb 0.31 0.15 0.61 0.00 -1.06 0.00 0.00 33.84 33.85 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 0.65 0.21 0.00 1.45 2.10 -0.59 -0.48 116.57 119.91 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 1.27 -0.05 0.00 0.00 -0.90 0.00 0.00 32.23 32.55 1pma h LYS 91 CO 0.02 0.14 0.00 0.66 -2.00 0.00 0.00 179.45 178.27 1pma n TYR 92 N -4.42 0.00 -2.74 0.07 4.01 -1.26 -3.42 117.16 109.40 1pma n TYR 92 Ca 0.22 0.00 -0.09 0.00 -0.16 0.00 0.00 57.90 57.88 1pma n TYR 92 Cb 0.93 -0.02 0.09 0.00 -0.31 0.00 0.00 39.34 40.02 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 -1.02 1.13 -0.84 -0.72 2.81 -0.27 -5.15 117.12 113.06 1pma n MET 93 Ca 0.23 -2.17 -0.33 0.00 -1.81 0.00 0.00 57.70 53.62 1pma n MET 93 Cb 0.12 -0.58 0.12 0.00 -0.71 0.00 0.00 33.22 32.17 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 -0.22 -0.24 -3.01 0.03 -0.04 -0.72 -4.95 135.00 125.85 1pma n PRO 94 Ca 0.03 -0.03 -0.43 0.00 -0.04 0.00 0.00 63.50 63.04 1pma n PRO 94 Cb 0.80 -1.87 -0.06 0.00 -0.04 0.00 0.00 33.50 32.33 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 -2.35 3.04 -1.06 0.54 2.02 -1.26 -4.95 117.35 113.33 1pma s TYR 95 Ca 0.58 0.17 -0.23 0.00 -0.37 0.00 0.00 57.07 57.23 1pma s TYR 95 Cb -0.22 -3.50 -0.00 0.00 -0.40 0.00 0.00 41.96 37.83 1pma s TYR 95 CO 0.66 -0.89 1.74 -1.64 -1.57 0.00 0.00 175.55 173.85 1pma s MET 96 N 3.10 3.13 0.24 -0.62 -1.94 -1.26 -4.68 119.30 117.27 1pma s MET 96 Ca 0.28 -1.00 -0.13 0.00 -1.71 0.00 0.00 55.69 53.13 1pma s MET 96 Cb -0.13 -5.27 -0.00 0.00 2.01 0.00 0.00 34.83 31.43 1pma s MET 96 CO 0.20 -2.90 0.46 0.54 -0.01 0.00 0.00 175.02 173.32 1pma s VAL 97 N 7.54 0.01 -0.20 -6.03 0.11 -1.26 -1.09 120.40 119.48 1pma s VAL 97 Ca 0.59 -1.37 -0.04 0.00 -2.93 0.00 0.00 61.98 58.23 1pma s VAL 97 Cb -0.02 -2.13 0.08 0.00 -1.53 0.00 0.00 36.38 32.78 1pma s VAL 97 CO -0.00 -0.03 0.16 -1.58 -3.33 0.00 0.00 175.10 170.31 1pma s GLN 98 N -4.01 0.13 0.16 1.54 0.74 0.11 -3.05 119.66 115.29 1pma s GLN 98 Ca 0.21 0.00 0.04 0.00 0.05 0.00 0.00 55.36 55.67 1pma s GLN 98 Cb -0.00 -1.48 -0.04 0.00 1.10 0.00 0.00 33.01 32.59 1pma s GLN 98 CO 0.07 -0.70 0.21 -0.51 -0.55 0.00 0.00 175.29 173.81 1pma s LEU 99 N 2.22 4.05 -0.10 3.68 1.43 -0.87 -2.96 118.68 126.14 1pma s LEU 99 Ca 0.05 -0.00 -0.02 0.00 -1.03 0.00 0.00 54.13 53.13 1pma s LEU 99 Cb -0.16 -2.63 0.04 0.00 0.03 0.00 0.00 46.19 43.46 1pma s LEU 99 CO -0.13 0.05 0.02 -0.22 0.23 0.00 0.00 176.35 176.30 1pma s LEU 100 N -3.22 0.62 -0.16 1.79 2.96 -0.99 -1.77 118.68 117.90 1pma s LEU 100 Ca 0.33 -0.23 0.01 0.00 -0.22 0.00 0.00 54.13 54.01 1pma s LEU 100 Cb -0.10 -0.42 0.03 0.00 0.50 0.00 0.00 46.19 46.20 1pma s LEU 100 CO 0.26 -0.23 -0.15 0.54 -1.32 0.00 0.00 176.35 175.45 1pma s VAL 101 N 1.99 1.68 0.19 1.68 0.11 -0.21 -0.21 120.40 125.64 1pma s VAL 101 Ca 0.04 -0.75 0.08 0.00 -2.93 0.00 0.00 61.98 58.41 1pma s VAL 101 Cb -0.13 -1.59 -0.05 0.00 -1.53 0.00 0.00 36.38 33.08 1pma s VAL 101 CO -0.06 0.43 -0.15 -0.83 -3.33 0.00 0.00 175.10 171.17 1pma s GLY 102 N 1.43 1.37 0.00 6.54 0.00 -0.43 -0.78 107.32 115.46 1pma s GLY 102 Ca 0.04 -1.60 0.00 0.00 0.00 0.00 0.00 44.72 43.16 1pma s GLY 102 CO -0.11 -1.69 0.00 0.61 0.00 0.00 0.00 173.10 171.91 1pma n GLY 103 N -0.21 -1.59 2.77 0.20 0.00 -0.70 -0.54 105.19 105.12 1pma n GLY 103 Ca -0.09 -1.08 -0.20 0.00 0.00 0.00 0.00 46.02 44.65 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 -2.15 0.20 0.00 -0.61 2.07 -0.88 -0.58 121.20 119.26 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 -0.35 0.00 0.00 0.13 0.00 0.00 42.46 42.24 1pma s ILE 104 CO 0.00 0.20 0.00 -0.90 -1.91 0.00 0.00 174.94 172.33 1pma n ASP 105 N 4.74 0.00 0.26 4.50 5.68 -1.26 -4.84 116.55 125.62 1pma n ASP 105 Ca -0.14 0.00 0.18 0.00 -0.50 0.00 0.00 54.79 54.32 1pma n ASP 105 Cb 0.50 0.00 0.83 0.00 -1.14 0.00 0.00 41.12 41.31 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 -2.02 -3.45 112.91 107.59 1pma h THR 106 Ca 0.00 -0.22 0.03 0.00 -0.01 0.00 0.00 66.41 66.21 1pma h THR 106 Cb 0.00 1.11 -0.03 0.00 -1.07 0.00 0.00 68.15 68.16 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 -3.76 -1.00 0.54 0.00 0.00 -1.26 -5.17 121.76 111.11 1pma s ALA 107 Ca -0.01 -0.50 -0.17 0.00 0.00 0.00 0.00 51.96 51.28 1pma s ALA 107 Cb 0.10 0.78 -0.06 0.00 0.00 0.00 0.00 23.12 23.94 1pma s ALA 107 CO 0.43 -1.02 1.02 -2.14 0.00 0.00 0.00 175.76 174.05 1pma s PRO 108 N -3.24 3.65 -0.01 0.00 0.02 -1.26 -4.28 135.00 129.89 1pma s PRO 108 Ca 0.13 1.13 -0.20 0.00 0.02 0.00 0.00 61.00 62.07 1pma s PRO 108 Cb -0.06 -2.09 0.04 0.00 0.02 0.00 0.00 34.50 32.42 1pma s PRO 108 CO 0.09 -0.53 0.44 -1.01 -0.33 0.00 0.00 177.00 175.66 1pma s HIS 109 N -2.45 -0.33 -0.14 6.54 3.76 0.26 -4.92 115.29 118.00 1pma s HIS 109 Ca 0.62 0.50 -0.05 0.00 -0.15 0.00 0.00 55.06 55.98 1pma s HIS 109 Cb -0.13 0.21 0.07 0.00 1.11 0.00 0.00 32.58 33.84 1pma s HIS 109 CO 0.32 -0.49 0.29 0.54 -0.85 0.00 0.00 174.74 174.54 1pma s VAL 110 N -1.54 -0.45 -0.00 -0.90 0.11 -1.26 -1.72 120.40 114.64 1pma s VAL 110 Ca -0.11 0.25 0.07 0.00 -2.93 0.00 0.00 61.98 59.26 1pma s VAL 110 Cb -0.03 -0.49 -0.02 0.00 -1.53 0.00 0.00 36.38 34.31 1pma s VAL 110 CO 0.04 0.10 -0.23 -0.36 -3.33 0.00 0.00 175.10 171.33 1pma s PHE 111 N 2.45 2.44 -0.21 1.54 0.40 0.04 -2.43 117.98 122.22 1pma s PHE 111 Ca 0.01 -0.35 -0.08 0.00 -0.60 0.00 0.00 56.93 55.91 1pma s PHE 111 Cb -0.12 -1.50 -0.04 0.00 0.51 0.00 0.00 43.02 41.87 1pma s PHE 111 CO -0.09 0.09 0.08 0.45 0.70 0.00 0.00 175.22 176.44 1pma s SER 112 N -0.90 5.56 -0.08 1.36 0.15 0.13 -1.04 113.70 118.88 1pma s SER 112 Ca 0.11 0.01 0.04 0.00 0.70 0.00 0.00 55.95 56.81 1pma s SER 112 Cb -0.10 -1.97 0.00 0.00 -1.71 0.00 0.00 66.02 62.24 1pma s SER 112 CO 0.01 0.11 -0.21 -0.63 1.20 0.00 0.00 173.24 173.72 1pma s ILE 113 N 0.79 1.78 0.38 6.45 -1.09 -0.73 -1.73 121.20 127.04 1pma s ILE 113 Ca 0.04 -0.87 0.08 0.00 -2.23 0.00 0.00 60.65 57.66 1pma s ILE 113 Cb -0.13 -1.54 -0.02 0.00 -1.58 0.00 0.00 42.46 39.19 1pma s ILE 113 CO 0.02 0.50 0.35 1.51 -1.23 0.00 0.00 174.94 176.09 1pma s ASP 114 N 0.26 5.23 0.00 3.58 1.47 -0.74 -2.04 116.67 124.43 1pma s ASP 114 Ca -0.13 -0.59 0.00 0.00 1.18 0.00 0.00 52.55 53.01 1pma s ASP 114 Cb -0.16 -0.79 0.00 0.00 -0.34 0.00 0.00 42.92 41.64 1pma s ASP 114 CO 0.06 -0.51 0.88 0.00 0.68 0.00 0.00 175.17 176.28 1pma n ALA 115 N -1.49 1.02 -0.52 2.11 0.00 -1.17 -0.51 120.51 119.95 1pma n ALA 115 Ca 0.01 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.54 1pma n ALA 115 Cb 0.60 -0.93 0.28 0.00 0.00 0.00 0.00 19.45 19.40 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 2.71 -1.01 0.00 0.00 -1.26 -4.58 120.51 114.99 1pma n ALA 116 Ca 0.00 -1.53 -0.00 0.00 0.00 0.00 0.00 53.44 51.90 1pma n ALA 116 Cb 0.03 -0.79 -0.00 0.00 0.00 0.00 0.00 19.45 18.68 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 0.80 0.42 3.69 0.00 0.00 0.33 -3.88 105.19 106.56 1pma n GLY 117 Ca 0.21 -0.07 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.07 1.96 -0.07 -0.02 0.00 -1.25 -4.63 107.32 101.25 1pma s GLY 118 Ca 0.00 0.80 0.03 0.00 0.00 0.00 0.00 44.72 45.55 1pma s GLY 118 CO 0.00 2.39 -0.14 -0.45 0.00 0.00 0.00 173.10 174.90 1pma s SER 119 N 1.69 1.93 -0.04 1.64 0.15 -1.26 -1.79 113.70 116.02 1pma s SER 119 Ca 0.61 -0.33 -0.06 0.00 0.70 0.00 0.00 55.95 56.87 1pma s SER 119 Cb -0.29 -0.85 0.01 0.00 -1.71 0.00 0.00 66.02 63.18 1pma s SER 119 CO 0.25 0.06 0.15 0.54 1.20 0.00 0.00 173.24 175.44 1pma s VAL 120 N 0.55 0.02 -0.11 4.45 0.11 -0.70 -4.99 120.40 119.73 1pma s VAL 120 Ca -0.14 -0.17 -0.07 0.00 -2.93 0.00 0.00 61.98 58.68 1pma s VAL 120 Cb -0.15 -0.27 -0.04 0.00 -1.53 0.00 0.00 36.38 34.38 1pma s VAL 120 CO 0.04 -0.10 0.13 -0.70 -3.33 0.00 0.00 175.10 171.15 1pma s GLU 121 N -0.28 3.41 0.34 1.54 2.12 -1.26 -0.70 118.70 123.87 1pma s GLU 121 Ca -0.04 -0.15 0.06 0.00 0.36 0.00 0.00 54.97 55.20 1pma s GLU 121 Cb -0.03 -3.16 -0.03 0.00 0.26 0.00 0.00 34.13 31.17 1pma s GLU 121 CO 0.01 0.77 0.25 0.34 -0.54 0.00 0.00 175.26 176.08 1pma s ASP 122 N -1.05 1.80 0.11 -1.70 2.15 -1.02 -5.01 116.67 111.96 1pma s ASP 122 Ca 0.15 -1.73 0.25 0.00 0.43 0.00 0.00 52.55 51.65 1pma s ASP 122 Cb -0.12 0.55 0.52 0.00 -0.30 0.00 0.00 42.92 43.57 1pma s ASP 122 CO 0.04 -1.03 1.47 2.30 -0.17 0.00 0.00 175.17 177.78 1pma n ILE 123 N -0.66 0.34 -3.62 4.11 -0.00 -1.26 -4.31 119.36 113.96 1pma n ILE 123 Ca 0.05 -0.22 -0.04 0.00 -0.00 0.00 0.00 62.75 62.53 1pma n ILE 123 Cb 0.63 -0.20 -0.04 0.00 -0.00 0.00 0.00 39.64 40.03 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 -3.12 -0.13 -0.10 4.28 1.13 -1.26 0.09 117.35 118.24 1pma s TYR 124 Ca 0.08 0.20 -0.30 0.00 -1.41 0.00 0.00 57.07 55.64 1pma s TYR 124 Cb 0.14 0.49 0.10 0.00 -1.10 0.00 0.00 41.96 41.59 1pma s TYR 124 CO 0.68 -0.14 0.84 0.00 -2.51 0.00 0.00 175.55 174.42 1pma s ALA 125 N -1.36 -1.85 0.34 9.51 0.00 -0.32 -5.00 121.76 123.08 1pma s ALA 125 Ca 0.07 1.43 0.09 0.00 0.00 0.00 0.00 51.96 53.55 1pma s ALA 125 Cb -0.01 -0.32 -0.06 0.00 0.00 0.00 0.00 23.12 22.72 1pma s ALA 125 CO -0.05 -0.36 -0.09 0.45 0.00 0.00 0.00 175.76 175.72 1pma s SER 126 N -1.22 3.77 0.04 0.00 0.15 -1.26 -1.21 113.70 113.97 1pma s SER 126 Ca -0.06 -1.18 -0.12 0.00 0.70 0.00 0.00 55.95 55.29 1pma s SER 126 Cb -0.00 -0.36 0.01 0.00 -1.71 0.00 0.00 66.02 63.96 1pma s SER 126 CO 0.05 -0.21 0.27 0.28 1.20 0.00 0.00 173.24 174.83 1pma s THR 127 N -2.60 0.09 0.00 6.45 -1.32 -0.19 -4.95 115.64 113.11 1pma s THR 127 Ca 0.33 -0.74 0.00 0.00 -1.21 0.00 0.00 61.69 60.06 1pma s THR 127 Cb 0.02 -0.92 0.00 0.00 -1.51 0.00 0.00 72.50 70.10 1pma s THR 127 CO 0.17 -0.41 0.00 0.61 -2.21 0.00 0.00 174.62 172.78 1pma n GLY 128 N 0.64 1.14 0.33 6.08 0.00 -1.26 -1.36 105.19 110.74 1pma n GLY 128 Ca -0.19 -2.05 0.22 0.00 0.00 0.00 0.00 46.02 44.01 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 0.07 -0.44 1.61 0.87 -0.86 0.13 113.55 114.93 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 0.31 0.00 0.00 -0.44 0.00 0.00 62.40 62.27 1pma h SER 129 CO 0.00 -0.31 0.00 0.61 -0.53 0.00 0.00 176.83 176.60 1pma n GLY 130 N -1.35 2.11 0.33 5.77 0.00 -1.08 -4.72 105.19 106.24 1pma n GLY 130 Ca 0.29 -0.61 -0.04 0.00 0.00 0.00 0.00 46.02 45.67 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 2.86 -1.04 -0.25 1.61 0.02 -0.94 -3.12 113.55 112.70 1pma h SER 131 Ca 0.00 0.22 0.05 0.00 -0.84 0.00 0.00 61.79 61.23 1pma h SER 131 Cb 1.22 0.54 -0.05 0.00 0.14 0.00 0.00 62.40 64.25 1pma h SER 131 CO 0.22 -0.29 -0.09 -0.65 -1.14 0.00 0.00 176.83 174.88 1pma h PRO 132 N -0.12 -0.05 -0.05 3.45 0.11 -1.85 0.17 132.00 133.67 1pma h PRO 132 Ca 0.26 0.00 0.04 0.00 0.11 0.00 0.00 66.00 66.41 1pma h PRO 132 Cb 0.54 0.01 -0.06 0.00 0.11 0.00 0.00 31.00 31.61 1pma h PRO 132 CO -0.70 -0.03 -0.35 0.74 -0.21 0.00 0.00 178.00 177.45 1pma h PHE 133 N -0.05 -0.99 -0.55 0.65 0.04 -1.93 0.31 116.94 114.43 1pma h PHE 133 Ca 0.13 0.04 0.02 0.00 2.80 0.00 0.00 57.97 60.96 1pma h PHE 133 Cb 0.24 0.44 -0.04 0.00 2.20 0.00 0.00 35.95 38.80 1pma h PHE 133 CO -0.28 -0.44 0.33 -0.24 -0.60 0.00 0.00 178.31 177.09 1pma h VAL 134 N -0.48 1.07 -0.33 -0.55 3.04 -1.49 0.25 116.25 117.76 1pma h VAL 134 Ca 0.07 -0.23 0.10 0.00 -1.01 0.00 0.00 66.70 65.63 1pma h VAL 134 Cb 0.59 0.34 -0.01 0.00 -2.01 0.00 0.00 31.29 30.20 1pma h VAL 134 CO -0.32 0.12 0.33 1.88 -1.01 0.00 0.00 177.57 178.57 1pma h TYR 135 N 0.66 0.00 0.29 3.17 0.05 0.52 -0.14 116.97 121.53 1pma h TYR 135 Ca 0.22 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.99 1pma h TYR 135 Cb 0.01 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.76 1pma h TYR 135 CO -0.06 0.00 -0.14 0.78 -1.05 0.00 0.00 178.16 177.69 1pma h GLY 136 N 0.00 -0.41 1.62 3.88 0.00 0.31 -1.17 103.07 107.30 1pma h GLY 136 Ca 0.16 0.15 0.04 0.00 0.00 0.00 0.00 47.33 47.68 1pma h GLY 136 CO -0.00 -0.15 0.16 -0.39 0.00 0.00 0.00 176.54 176.16 1pma h VAL 137 N -0.66 0.95 -0.03 4.60 -1.51 -0.78 -0.86 116.25 117.96 1pma h VAL 137 Ca -0.04 -0.05 -0.01 0.00 -1.23 0.00 0.00 66.70 65.37 1pma h VAL 137 Cb 0.30 0.80 -0.00 0.00 -2.13 0.00 0.00 31.29 30.26 1pma h VAL 137 CO 0.07 0.03 -0.03 -0.07 -1.23 0.00 0.00 177.57 176.33 1pma h LEU 138 N 0.14 0.09 -2.17 4.19 4.07 -1.12 0.21 115.31 120.72 1pma h LEU 138 Ca 0.10 -0.49 0.04 0.00 0.08 0.00 0.00 57.88 57.62 1pma h LEU 138 Cb 0.25 -0.03 -0.01 0.00 1.08 0.00 0.00 40.66 41.96 1pma h LEU 138 CO -0.01 0.56 0.12 -0.08 -1.08 0.00 0.00 178.44 177.95 1pma h GLU 139 N -0.38 0.00 0.16 1.13 4.57 -0.35 -0.66 114.58 119.05 1pma h GLU 139 Ca 0.01 0.00 -0.30 0.00 -1.18 0.00 0.00 59.36 57.88 1pma h GLU 139 Cb 0.54 0.00 0.01 0.00 -0.16 0.00 0.00 28.75 29.13 1pma h GLU 139 CO 0.01 0.00 -1.48 1.03 -1.18 0.00 0.00 179.01 177.39 1pma h SER 140 N 0.00 0.53 0.00 1.04 0.87 -0.75 -3.42 113.55 111.82 1pma h SER 140 Ca 0.07 -0.90 0.00 0.00 -1.23 0.00 0.00 61.79 59.72 1pma h SER 140 Cb 0.31 -0.17 0.00 0.00 -0.44 0.00 0.00 62.40 62.10 1pma h SER 140 CO -0.00 1.67 0.00 0.00 -0.53 0.00 0.00 176.83 177.97 1pma n GLN 141 N -3.80 -0.07 -2.71 2.24 6.02 0.71 -5.03 117.38 114.73 1pma n GLN 141 Ca -0.23 -0.72 -0.41 0.00 -0.01 0.00 0.00 57.00 55.63 1pma n GLN 141 Cb 0.98 -0.99 -0.04 0.00 1.02 0.00 0.00 30.24 31.21 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 -0.23 3.77 -0.04 1.08 5.04 -0.27 -5.03 117.35 121.67 1pma s TYR 142 Ca 0.00 1.76 -0.01 0.00 -2.44 0.00 0.00 57.07 56.38 1pma s TYR 142 Cb 0.00 -3.09 0.03 0.00 0.35 0.00 0.00 41.96 39.26 1pma s TYR 142 CO 0.00 0.10 0.06 0.45 -1.34 0.00 0.00 175.55 174.82 1pma s SER 143 N 0.19 0.64 0.36 4.32 0.15 -1.26 -4.98 113.70 113.12 1pma s SER 143 Ca 0.48 0.09 0.22 0.00 0.70 0.00 0.00 55.95 57.44 1pma s SER 143 Cb -0.23 -0.07 1.19 0.00 -1.71 0.00 0.00 66.02 65.20 1pma s SER 143 CO 0.30 -0.20 1.65 1.05 1.20 0.00 0.00 173.24 177.24 1pma h GLU 144 N 7.94 0.00 -0.68 5.44 -0.00 -1.96 -1.11 114.58 124.21 1pma h GLU 144 Ca -0.27 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.09 1pma h GLU 144 Cb 1.12 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.87 1pma h GLU 144 CO 0.29 0.00 0.00 1.63 -0.00 0.00 0.00 179.01 180.93 1pma n LYS 145 N -2.30 2.66 -1.81 1.06 5.02 -1.26 -4.09 118.16 117.44 1pma n LYS 145 Ca -0.01 -1.50 -0.30 0.00 -2.02 0.00 0.00 58.31 54.47 1pma n LYS 145 Cb 0.11 -1.73 0.05 0.00 -0.02 0.00 0.00 35.03 33.44 1pma n LYS 145 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 1pma s MET 146 N -1.78 2.77 0.24 1.97 -1.94 -0.42 -5.06 119.30 115.07 1pma s MET 146 Ca 0.26 0.53 0.03 0.00 -1.71 0.00 0.00 55.69 54.80 1pma s MET 146 Cb 0.19 -2.01 -0.03 0.00 2.01 0.00 0.00 34.83 34.99 1pma s MET 146 CO 0.10 -1.11 0.39 0.95 -0.01 0.00 0.00 175.02 175.34 1pma s THR 147 N -3.30 5.23 0.57 2.05 -4.23 -1.26 -4.73 115.64 109.97 1pma s THR 147 Ca 0.58 -0.71 0.27 0.00 -1.18 0.00 0.00 61.69 60.65 1pma s THR 147 Cb -0.12 -3.81 0.37 0.00 1.34 0.00 0.00 72.50 70.28 1pma s THR 147 CO 0.52 -0.30 2.04 1.62 -0.54 0.00 0.00 174.62 177.96 1pma h VAL 148 N 1.25 0.55 0.12 2.29 3.04 -1.97 0.35 116.25 121.88 1pma h VAL 148 Ca -0.50 0.00 -0.25 0.00 -1.01 0.00 0.00 66.70 64.94 1pma h VAL 148 Cb 1.21 0.78 0.03 0.00 -2.01 0.00 0.00 31.29 31.30 1pma h VAL 148 CO 0.64 0.00 -1.05 -0.78 -1.01 0.00 0.00 177.57 175.37 1pma h ASP 149 N 0.00 0.72 -0.84 3.17 1.82 -2.00 -2.70 116.42 116.58 1pma h ASP 149 Ca 0.15 -0.86 -0.01 0.00 -0.39 0.00 0.00 57.03 55.92 1pma h ASP 149 Cb 0.72 -0.23 -0.04 0.00 0.68 0.00 0.00 39.33 40.47 1pma h ASP 149 CO -0.00 1.50 0.47 -0.33 -1.61 0.00 0.00 179.24 179.27 1pma h GLU 150 N 0.03 1.18 0.38 0.28 5.08 -1.43 -2.98 114.58 117.13 1pma h GLU 150 Ca -0.17 -0.13 -0.01 0.00 -1.00 0.00 0.00 59.36 58.06 1pma h GLU 150 Cb 1.77 -0.23 -0.02 0.00 0.50 0.00 0.00 28.75 30.77 1pma h GLU 150 CO 0.20 0.86 -0.35 0.78 -1.00 0.00 0.00 179.01 179.50 1pma h GLY 151 N 1.20 -0.84 0.86 -3.84 0.00 -1.00 -1.42 103.07 98.03 1pma h GLY 151 Ca 0.30 0.40 0.13 0.00 0.00 0.00 0.00 47.33 48.16 1pma h GLY 151 CO -0.05 -0.30 0.45 -0.24 0.00 0.00 0.00 176.54 176.39 1pma h VAL 152 N -0.75 0.42 0.06 4.60 3.04 -1.33 -0.48 116.25 121.81 1pma h VAL 152 Ca -0.03 0.00 -0.00 0.00 -1.01 0.00 0.00 66.70 65.66 1pma h VAL 152 Cb 0.66 0.65 0.00 0.00 -2.01 0.00 0.00 31.29 30.60 1pma h VAL 152 CO -0.04 0.00 -0.03 0.44 -1.01 0.00 0.00 177.57 176.93 1pma h ASP 153 N 0.00 -0.07 -0.71 3.17 5.19 -1.29 -2.88 116.42 119.83 1pma h ASP 153 Ca 0.21 -0.45 0.12 0.00 -0.62 0.00 0.00 57.03 56.29 1pma h ASP 153 Cb 1.10 0.02 -0.13 0.00 0.18 0.00 0.00 39.33 40.50 1pma h ASP 153 CO -0.00 0.61 -0.36 0.25 -3.12 0.00 0.00 179.24 176.61 1pma h LEU 154 N -0.96 -1.29 -0.18 1.55 5.85 -0.19 0.36 115.31 120.45 1pma h LEU 154 Ca -0.01 0.25 0.05 0.00 0.84 0.00 0.00 57.88 59.01 1pma h LEU 154 Cb 0.51 0.64 -0.05 0.00 0.37 0.00 0.00 40.66 42.14 1pma h LEU 154 CO 0.01 -0.30 -0.13 0.58 -0.34 0.00 0.00 178.44 178.27 1pma h VAL 155 N -0.12 0.63 -0.75 1.05 2.07 -1.27 0.14 116.25 118.00 1pma h VAL 155 Ca 0.26 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.86 1pma h VAL 155 Cb 0.56 0.63 -0.07 0.00 -1.52 0.00 0.00 31.29 30.90 1pma h VAL 155 CO -0.77 0.00 0.41 0.40 0.02 0.00 0.00 177.57 177.63 1pma h ILE 156 N -0.13 0.91 0.81 4.57 2.04 -0.23 -0.67 117.51 124.82 1pma h ILE 156 Ca 0.11 -0.25 -0.04 0.00 1.00 0.00 0.00 64.86 65.68 1pma h ILE 156 Cb 0.29 0.13 0.01 0.00 -0.74 0.00 0.00 36.82 36.51 1pma h ILE 156 CO -0.26 0.13 -0.39 0.03 0.00 0.00 0.00 178.15 177.66 1pma h ARG 157 N 0.72 -1.05 -0.42 2.37 3.08 0.45 -0.60 114.38 118.91 1pma h ARG 157 Ca 0.36 0.07 0.05 0.00 0.07 0.00 0.00 59.98 60.52 1pma h ARG 157 Cb 0.31 0.24 -0.07 0.00 0.08 0.00 0.00 29.97 30.53 1pma h ARG 157 CO -0.23 -0.69 -0.44 0.00 -1.07 0.00 0.00 179.97 177.53 1pma h ALA 158 N -1.00 -0.63 -0.59 0.04 0.00 -0.15 0.55 119.26 117.47 1pma h ALA 158 Ca -0.11 0.02 0.06 0.00 0.00 0.00 0.00 54.91 54.88 1pma h ALA 158 Cb 0.85 1.10 -0.03 0.00 0.00 0.00 0.00 17.79 19.70 1pma h ALA 158 CO 0.18 -0.86 0.39 0.82 0.00 0.00 0.00 179.25 179.78 1pma h ILE 159 N -0.24 1.00 -0.81 0.00 2.04 -1.15 0.16 117.51 118.50 1pma h ILE 159 Ca 0.07 -0.20 -0.02 0.00 1.00 0.00 0.00 64.86 65.71 1pma h ILE 159 Cb 0.43 0.38 -0.04 0.00 -0.74 0.00 0.00 36.82 36.85 1pma h ILE 159 CO -0.53 0.10 0.42 0.28 0.00 0.00 0.00 178.15 178.43 1pma h SER 160 N 0.57 1.04 0.26 1.72 0.02 0.15 0.16 113.55 117.47 1pma h SER 160 Ca 0.25 -0.11 -0.01 0.00 -0.84 0.00 0.00 61.79 61.08 1pma h SER 160 Cb 0.27 -0.26 0.00 0.00 0.14 0.00 0.00 62.40 62.55 1pma h SER 160 CO -0.07 0.86 -0.13 0.00 -1.14 0.00 0.00 176.83 176.35 1pma h ALA 161 N 1.22 -0.35 -0.49 3.77 0.00 0.25 -1.15 119.26 122.51 1pma h ALA 161 Ca 0.28 -0.10 0.10 0.00 0.00 0.00 0.00 54.91 55.20 1pma h ALA 161 Cb 0.07 0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 1pma h ALA 161 CO -0.04 -0.67 0.34 0.00 0.00 0.00 0.00 179.25 178.88 1pma h ALA 162 N 0.31 2.17 0.00 0.00 0.00 -0.84 0.16 119.26 121.07 1pma h ALA 162 Ca -0.04 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.82 1pma h ALA 162 Cb 0.32 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1pma h ALA 162 CO 0.06 -0.29 -0.21 0.87 0.00 0.00 0.00 179.25 179.67 1pma h LYS 163 N 0.22 0.00 -0.13 0.00 1.57 0.58 -2.39 116.57 116.41 1pma h LYS 163 Ca 0.23 0.00 -0.23 0.00 -1.87 0.00 0.00 60.65 58.78 1pma h LYS 163 Cb 0.62 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.94 1pma h LYS 163 CO -0.04 0.21 -0.80 1.96 -0.57 0.00 0.00 179.45 180.21 1pma h GLN 164 N 0.00 0.77 -0.34 3.15 1.08 -0.30 -3.35 115.11 116.12 1pma h GLN 164 Ca -0.00 -0.66 0.00 0.00 -1.45 0.00 0.00 58.65 56.54 1pma h GLN 164 Cb 0.40 0.15 0.00 0.00 -0.05 0.00 0.00 27.48 27.97 1pma h GLN 164 CO 0.03 1.26 0.00 0.54 -0.95 0.00 0.00 178.83 179.71 1pma n ARG 165 N -3.94 2.50 -3.67 1.46 3.00 -1.15 -4.87 116.66 109.98 1pma n ARG 165 Ca -0.08 -2.25 -0.27 0.00 -0.01 0.00 0.00 57.85 55.23 1pma n ARG 165 Cb 0.76 -1.51 -0.16 0.00 0.00 0.00 0.00 32.46 31.55 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 -1.57 2.89 0.52 0.55 2.15 -0.91 -4.99 116.67 115.31 1pma s ASP 166 Ca 0.37 -0.87 0.35 0.00 0.43 0.00 0.00 52.55 52.83 1pma s ASP 166 Cb 0.23 -0.47 1.82 0.00 -0.30 0.00 0.00 42.92 44.20 1pma s ASP 166 CO 0.32 -0.34 2.07 0.77 -0.17 0.00 0.00 175.17 177.81 1pma h SER 167 N 8.31 0.00 1.14 -0.34 4.64 -1.88 -0.21 113.55 125.22 1pma h SER 167 Ca -0.16 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.13 1pma h SER 167 Cb 1.11 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.19 1pma h SER 167 CO 0.34 0.00 -0.14 0.00 -0.87 0.00 0.00 176.83 176.16 1pma h ALA 168 N 2.02 0.99 -2.59 5.18 0.00 -1.94 -3.45 119.26 119.48 1pma h ALA 168 Ca 0.00 -0.13 -0.55 0.00 0.00 0.00 0.00 54.91 54.23 1pma h ALA 168 Cb 0.10 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 17.82 1pma h ALA 168 CO 0.00 0.18 -0.52 -1.12 0.00 0.00 0.00 179.25 177.78 1pma s SER 169 N -6.05 5.83 0.00 0.00 0.01 -0.09 -1.80 113.70 111.60 1pma s SER 169 Ca 0.02 -0.03 0.00 0.00 1.31 0.00 0.00 55.95 57.25 1pma s SER 169 Cb 0.09 -1.61 0.00 0.00 0.21 0.00 0.00 66.02 64.70 1pma s SER 169 CO 0.62 0.05 0.00 0.61 0.41 0.00 0.00 173.24 174.93 1pma n GLY 170 N -0.53 -1.75 0.00 3.44 0.00 -1.26 -4.88 105.19 100.20 1pma n GLY 170 Ca -0.08 -1.12 0.00 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 -0.34 -1.37 3.66 -0.02 0.00 -1.26 -2.18 105.19 103.67 1pma n GLY 171 Ca 0.00 -1.54 -0.42 0.00 0.00 0.00 0.00 46.02 44.06 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 -1.16 4.14 0.17 1.61 -2.45 -1.26 -4.54 119.30 115.81 1pma s MET 172 Ca 0.00 2.60 -0.29 0.00 -1.25 0.00 0.00 55.69 56.75 1pma s MET 172 Cb 0.00 -4.14 -0.08 0.00 1.25 0.00 0.00 34.83 31.87 1pma s MET 172 CO 0.00 -0.95 0.90 -1.50 1.05 0.00 0.00 175.02 174.52 1pma s ILE 173 N 4.39 4.31 -0.01 10.11 -1.16 -1.26 -3.92 121.20 133.66 1pma s ILE 173 Ca 0.88 1.97 0.01 0.00 -0.51 0.00 0.00 60.65 63.00 1pma s ILE 173 Cb -0.42 -4.27 -0.00 0.00 0.61 0.00 0.00 42.46 38.38 1pma s ILE 173 CO 0.41 0.44 -0.05 1.51 -2.81 0.00 0.00 174.94 174.44 1pma s ASP 174 N -0.74 0.61 0.27 4.50 1.47 -0.29 -4.90 116.67 117.60 1pma s ASP 174 Ca 0.41 -0.09 0.12 0.00 1.18 0.00 0.00 52.55 54.17 1pma s ASP 174 Cb -0.24 -0.11 -0.05 0.00 -0.34 0.00 0.00 42.92 42.18 1pma s ASP 174 CO 0.29 0.04 -0.20 0.54 0.68 0.00 0.00 175.17 176.53 1pma s VAL 175 N 0.03 2.50 -0.02 2.11 0.11 -1.26 -2.04 120.40 121.82 1pma s VAL 175 Ca 0.00 -2.34 -0.00 0.00 -2.93 0.00 0.00 61.98 56.71 1pma s VAL 175 Cb -0.04 -2.30 0.03 0.00 -1.53 0.00 0.00 36.38 32.55 1pma s VAL 175 CO -0.00 -0.36 0.04 0.00 -3.33 0.00 0.00 175.10 171.45 1pma s ALA 176 N -2.38 0.06 -0.08 1.54 0.00 0.71 -2.05 121.76 119.56 1pma s ALA 176 Ca 0.29 0.33 0.02 0.00 0.00 0.00 0.00 51.96 52.60 1pma s ALA 176 Cb -0.05 -0.26 -0.02 0.00 0.00 0.00 0.00 23.12 22.78 1pma s ALA 176 CO 0.14 -0.11 -0.14 0.54 0.00 0.00 0.00 175.76 176.19 1pma s VAL 177 N 1.08 3.02 -0.15 0.00 0.11 -0.15 -0.67 120.40 123.64 1pma s VAL 177 Ca -0.09 -0.71 0.01 0.00 -2.93 0.00 0.00 61.98 58.26 1pma s VAL 177 Cb -0.13 -2.21 0.02 0.00 -1.53 0.00 0.00 36.38 32.53 1pma s VAL 177 CO -0.03 0.56 -0.18 -0.51 -3.33 0.00 0.00 175.10 171.62 1pma s ILE 178 N -0.29 1.80 0.13 7.04 2.07 0.52 -1.85 121.20 130.60 1pma s ILE 178 Ca 0.02 -0.80 0.05 0.00 -1.41 0.00 0.00 60.65 58.51 1pma s ILE 178 Cb -0.13 -1.64 -0.04 0.00 0.13 0.00 0.00 42.46 40.79 1pma s ILE 178 CO 0.03 0.50 -0.12 0.28 -1.91 0.00 0.00 174.94 173.72 1pma s THR 179 N 1.17 1.18 0.35 4.00 -1.32 -1.08 -1.66 115.64 118.29 1pma s THR 179 Ca -0.00 -1.82 0.10 0.00 -1.21 0.00 0.00 61.69 58.75 1pma s THR 179 Cb -0.14 -1.60 0.09 0.00 -1.51 0.00 0.00 72.50 69.34 1pma s THR 179 CO -0.07 -0.57 1.80 -0.09 -2.21 0.00 0.00 174.62 173.48 1pma h ARG 180 N 3.27 0.14 0.40 7.08 9.65 -1.87 0.48 114.38 133.53 1pma h ARG 180 Ca -0.38 -0.05 -0.02 0.00 -1.10 0.00 0.00 59.98 58.43 1pma h ARG 180 Cb 1.19 -0.01 0.00 0.00 -1.39 0.00 0.00 29.97 29.77 1pma h ARG 180 CO 0.56 0.46 -0.19 -0.22 2.80 0.00 0.00 179.97 183.37 1pma h LYS 181 N 0.12 -0.52 0.00 0.20 1.63 -1.97 -3.36 116.57 112.68 1pma h LYS 181 Ca 0.02 0.04 0.00 0.00 -0.85 0.00 0.00 60.65 59.85 1pma h LYS 181 Cb 0.65 0.12 0.00 0.00 -0.60 0.00 0.00 32.23 32.40 1pma h LYS 181 CO 0.05 -0.22 -1.58 -0.25 -3.45 0.00 0.00 179.45 173.99 1pma n ASP 182 N -5.21 0.44 0.00 4.20 8.00 -1.23 -5.10 116.55 117.65 1pma n ASP 182 Ca -0.10 -0.40 0.00 0.00 0.71 0.00 0.00 54.79 55.00 1pma n ASP 182 Cb 0.28 1.59 0.00 0.00 -0.02 0.00 0.00 41.12 42.97 1pma n ASP 182 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1pma n GLY 183 N 1.36 -1.55 3.63 0.44 0.00 0.17 -4.76 105.19 104.49 1pma n GLY 183 Ca -0.01 -1.49 -0.43 0.00 0.00 0.00 0.00 46.02 44.09 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 2.77 -0.10 1.61 6.14 -1.15 -2.62 117.35 124.00 1pma s TYR 184 Ca 0.00 0.92 0.01 0.00 0.64 0.00 0.00 57.07 58.64 1pma s TYR 184 Cb 0.00 -3.88 0.02 0.00 0.42 0.00 0.00 41.96 38.52 1pma s TYR 184 CO 0.00 -1.54 -0.13 0.54 0.64 0.00 0.00 175.55 175.06 1pma s VAL 185 N 4.24 1.33 -0.24 3.14 0.11 -0.77 -5.02 120.40 123.18 1pma s VAL 185 Ca 0.54 -0.53 -0.15 0.00 -2.93 0.00 0.00 61.98 58.91 1pma s VAL 185 Cb -0.16 -1.24 -0.04 0.00 -1.53 0.00 0.00 36.38 33.41 1pma s VAL 185 CO 0.22 0.41 0.36 -1.58 -3.33 0.00 0.00 175.10 171.17 1pma s GLN 186 N 1.11 4.08 0.48 1.54 0.74 -1.26 -0.98 119.66 125.36 1pma s GLN 186 Ca -0.05 0.06 -0.24 0.00 0.05 0.00 0.00 55.36 55.18 1pma s GLN 186 Cb -0.14 -3.60 -0.07 0.00 1.10 0.00 0.00 33.01 30.29 1pma s GLN 186 CO -0.03 -0.16 1.38 -0.51 -0.55 0.00 0.00 175.29 175.43 1pma s LEU 187 N 1.70 4.03 0.15 3.68 1.02 -0.87 -4.95 118.68 123.44 1pma s LEU 187 Ca 0.15 2.82 -0.31 0.00 0.02 0.00 0.00 54.13 56.82 1pma s LEU 187 Cb -0.15 -4.06 -0.08 0.00 0.02 0.00 0.00 46.19 41.92 1pma s LEU 187 CO 0.09 -1.27 1.34 -2.84 0.02 0.00 0.00 176.35 173.69 1pma s PRO 188 N -2.59 4.36 0.25 1.29 0.02 -1.26 -4.78 135.00 132.28 1pma s PRO 188 Ca 0.64 2.05 -0.14 0.00 0.02 0.00 0.00 61.00 63.57 1pma s PRO 188 Cb -0.42 -3.23 0.32 0.00 0.02 0.00 0.00 34.50 31.20 1pma s PRO 188 CO 0.52 -0.34 1.57 0.00 -0.33 0.00 0.00 177.00 178.41 1pma h THR 189 N 4.03 0.05 0.02 0.99 1.03 -1.98 0.37 112.91 117.42 1pma h THR 189 Ca -0.43 0.00 0.03 0.00 -0.01 0.00 0.00 66.41 65.99 1pma h THR 189 Cb 1.21 0.05 -0.04 0.00 -1.07 0.00 0.00 68.15 68.30 1pma h THR 189 CO 0.82 0.00 -0.20 -2.24 -0.01 0.00 0.00 175.52 173.89 1pma h ASP 190 N -0.02 -0.58 -0.98 0.00 3.04 -1.99 0.55 116.42 116.45 1pma h ASP 190 Ca 0.39 0.08 0.16 0.00 -3.24 0.00 0.00 57.03 54.41 1pma h ASP 190 Cb 0.64 0.24 -0.10 0.00 -1.04 0.00 0.00 39.33 39.07 1pma h ASP 190 CO -0.95 -0.27 0.59 -0.61 -2.04 0.00 0.00 179.24 175.97 1pma h GLN 191 N -0.33 0.81 0.56 4.15 4.15 -1.35 0.30 115.11 123.41 1pma h GLN 191 Ca 0.05 -0.05 -0.03 0.00 0.77 0.00 0.00 58.65 59.40 1pma h GLN 191 Cb 0.40 -0.18 0.01 0.00 0.21 0.00 0.00 27.48 27.91 1pma h GLN 191 CO -0.17 0.54 -0.27 0.82 -1.93 0.00 0.00 178.83 177.82 1pma h ILE 192 N 0.84 0.25 -0.20 2.39 2.04 -0.29 -1.97 117.51 120.58 1pma h ILE 192 Ca 0.53 -0.40 0.06 0.00 1.00 0.00 0.00 64.86 66.05 1pma h ILE 192 Cb 0.69 0.36 -0.01 0.00 -0.74 0.00 0.00 36.82 37.12 1pma h ILE 192 CO -0.33 0.04 0.23 1.05 0.00 0.00 0.00 178.15 179.13 1pma h GLU 193 N -1.06 0.00 0.05 2.37 4.11 0.16 0.14 114.58 120.34 1pma h GLU 193 Ca -0.08 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.35 1pma h GLU 193 Cb 0.64 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.89 1pma h GLU 193 CO 0.13 0.00 -0.02 1.03 0.07 0.00 0.00 179.01 180.21 1pma h SER 194 N 0.00 -0.05 -0.80 3.06 0.87 -0.18 -1.47 113.55 114.98 1pma h SER 194 Ca 0.09 -0.29 0.07 0.00 -1.23 0.00 0.00 61.79 60.43 1pma h SER 194 Cb 0.55 0.01 -0.05 0.00 -0.44 0.00 0.00 62.40 62.47 1pma h SER 194 CO -0.00 0.26 0.53 0.03 -0.53 0.00 0.00 176.83 177.11 1pma h ARG 195 N -0.37 0.84 0.59 2.24 3.08 0.01 0.19 114.38 120.96 1pma h ARG 195 Ca -0.01 -0.05 -0.02 0.00 0.07 0.00 0.00 59.98 59.97 1pma h ARG 195 Cb 0.34 -0.19 -0.02 0.00 0.08 0.00 0.00 29.97 30.18 1pma h ARG 195 CO 0.01 0.56 -0.47 0.82 -1.07 0.00 0.00 179.97 179.82 1pma h ILE 196 N 0.87 0.07 -0.39 2.04 2.04 -1.00 -0.20 117.51 120.94 1pma h ILE 196 Ca 0.35 0.00 0.08 0.00 1.00 0.00 0.00 64.86 66.28 1pma h ILE 196 Cb 0.24 0.07 -0.07 0.00 -0.74 0.00 0.00 36.82 36.32 1pma h ILE 196 CO -0.12 0.00 -0.10 -0.09 0.00 0.00 0.00 178.15 177.84 1pma h ARG 197 N -1.03 -0.00 -0.67 2.37 2.43 -0.62 -1.86 114.38 115.00 1pma h ARG 197 Ca -0.07 0.00 0.01 0.00 -0.81 0.00 0.00 59.98 59.10 1pma h ARG 197 Cb 0.87 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.39 1pma h ARG 197 CO 0.00 -0.00 0.44 -0.22 -1.51 0.00 0.00 179.97 178.68 1pma h LYS 198 N -0.00 0.88 0.00 0.20 3.64 -0.80 -2.00 116.57 118.49 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 0.28 -0.20 0.00 0.00 -0.41 0.00 0.00 32.23 31.91 1pma h LYS 198 CO -0.40 0.59 0.00 1.28 -2.27 0.00 0.00 179.45 178.65 1pma n LEU 199 N -4.43 0.00 -0.03 5.20 4.77 -0.10 -4.90 117.00 117.50 1pma n LEU 199 Ca 0.07 0.41 -0.00 0.00 -0.03 0.00 0.00 56.01 56.46 1pma n LEU 199 Cb 0.04 -0.41 -0.00 0.00 -2.33 0.00 0.00 43.42 40.72 1pma n LEU 199 CO 0.36 -0.04 -0.00 0.61 -1.33 0.00 0.00 177.39 176.98 1pma n GLY 200 N 1.12 0.42 1.29 -0.72 0.00 -0.75 -5.04 105.19 101.50 1pma n GLY 200 Ca 0.09 -1.06 -0.08 0.00 0.00 0.00 0.00 46.02 44.96 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 -0.05 0.00 -3.95 0.99 4.32 -0.81 -5.03 117.00 112.47 1pma n LEU 201 Ca -0.00 -0.62 -0.09 0.00 -0.02 0.00 0.00 56.01 55.27 1pma n LEU 201 Cb 0.01 -0.26 -0.10 0.00 -1.62 0.00 0.00 43.42 41.45 1pma n LEU 201 CO 0.01 -0.72 -0.28 -0.51 -1.22 0.00 0.00 177.39 174.67 1pma s ILE 202 N -1.28 0.12 0.00 -0.08 2.07 -1.26 -4.63 121.20 116.13 1pma s ILE 202 Ca 0.23 -0.98 0.00 0.00 -1.41 0.00 0.00 60.65 58.49 1pma s ILE 202 Cb -0.01 -0.56 0.00 0.00 0.13 0.00 0.00 42.46 42.02 1pma s ILE 202 CO 0.16 -0.54 0.00 -0.11 -1.91 0.00 0.00 174.94 172.54