#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 -0.00 0.13 1.09 -1.32 -1.26 -0.12 115.64 114.15 1pma s THR 2 Ca 0.00 0.02 -0.00 0.00 -1.21 0.00 0.00 61.69 60.50 1pma s THR 2 Cb 0.00 -0.02 -0.04 0.00 -1.51 0.00 0.00 72.50 70.93 1pma s THR 2 CO 0.00 0.01 0.02 0.42 -2.21 0.00 0.00 174.62 172.86 1pma s THR 3 N 0.08 0.33 -0.19 5.08 -4.23 -0.13 -2.59 115.64 113.98 1pma s THR 3 Ca -0.01 -1.92 -0.27 0.00 -1.18 0.00 0.00 61.69 58.31 1pma s THR 3 Cb -0.01 -1.97 0.08 0.00 1.34 0.00 0.00 72.50 71.95 1pma s THR 3 CO -0.00 -0.57 0.77 0.54 -0.54 0.00 0.00 174.62 174.81 1pma s VAL 4 N -3.89 0.00 -0.04 2.29 0.11 0.52 -0.61 120.40 118.78 1pma s VAL 4 Ca 0.21 0.00 0.04 0.00 -2.93 0.00 0.00 61.98 59.30 1pma s VAL 4 Cb 0.07 -1.00 -0.00 0.00 -1.53 0.00 0.00 36.38 33.92 1pma s VAL 4 CO 0.00 0.00 -0.16 -0.83 -3.33 0.00 0.00 175.10 170.78 1pma s GLY 5 N -0.27 0.85 -0.01 6.54 0.00 0.02 -0.97 107.32 113.48 1pma s GLY 5 Ca -0.03 -0.64 0.01 0.00 0.00 0.00 0.00 44.72 44.05 1pma s GLY 5 CO 0.03 -0.35 -0.03 -1.50 0.00 0.00 0.00 173.10 171.25 1pma s ILE 6 N -0.00 0.30 -0.11 0.90 2.07 -0.34 -0.30 121.20 123.72 1pma s ILE 6 Ca -0.02 -0.12 -0.05 0.00 -1.41 0.00 0.00 60.65 59.05 1pma s ILE 6 Cb -0.10 -0.29 -0.04 0.00 0.13 0.00 0.00 42.46 42.16 1pma s ILE 6 CO 0.01 0.11 0.09 -0.89 -1.91 0.00 0.00 174.94 172.35 1pma s THR 7 N 0.18 5.05 -0.23 4.00 2.01 0.14 -1.88 115.64 124.91 1pma s THR 7 Ca -0.02 0.04 -0.25 0.00 0.31 0.00 0.00 61.69 61.78 1pma s THR 7 Cb -0.05 -3.18 0.07 0.00 0.01 0.00 0.00 72.50 69.35 1pma s THR 7 CO -0.00 0.60 0.68 -1.48 -0.69 0.00 0.00 174.62 173.72 1pma s LEU 8 N -0.85 -0.60 0.00 4.42 0.05 -1.01 -4.85 118.68 115.84 1pma s LEU 8 Ca 0.13 1.28 0.00 0.00 0.05 0.00 0.00 54.13 55.59 1pma s LEU 8 Cb -0.12 2.35 0.00 0.00 -2.05 0.00 0.00 46.19 46.38 1pma s LEU 8 CO 0.03 -0.29 0.00 1.17 -0.55 0.00 0.00 176.35 176.71 1pma n LYS 9 N 2.46 0.00 -2.52 1.48 3.00 -1.26 -0.44 118.16 120.88 1pma n LYS 9 Ca -0.15 0.00 -0.19 0.00 -0.00 0.00 0.00 58.31 57.98 1pma n LYS 9 Cb 0.55 0.00 0.02 0.00 0.00 0.00 0.00 35.03 35.60 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 0.54 3.42 -3.74 3.14 8.00 -1.26 -4.77 116.55 121.88 1pma n ASP 10 Ca 0.00 -3.27 -0.04 0.00 0.71 0.00 0.00 54.79 52.19 1pma n ASP 10 Cb 0.00 -0.47 -0.01 0.00 -0.02 0.00 0.00 41.12 40.61 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 -3.43 -1.61 -0.08 2.24 0.00 0.41 -4.52 121.76 114.77 1pma s ALA 11 Ca 0.40 0.14 -0.05 0.00 0.00 0.00 0.00 51.96 52.46 1pma s ALA 11 Cb 0.42 0.65 0.04 0.00 0.00 0.00 0.00 23.12 24.23 1pma s ALA 11 CO -0.08 -1.01 0.20 0.54 0.00 0.00 0.00 175.76 175.41 1pma s VAL 12 N -3.36 -0.04 -0.08 0.00 0.11 -0.92 -2.40 120.40 113.72 1pma s VAL 12 Ca 0.11 0.13 0.04 0.00 -2.93 0.00 0.00 61.98 59.33 1pma s VAL 12 Cb -0.02 -0.30 -0.01 0.00 -1.53 0.00 0.00 36.38 34.51 1pma s VAL 12 CO 0.02 0.05 -0.19 -0.63 -3.33 0.00 0.00 175.10 171.02 1pma s ILE 13 N 1.00 2.54 -0.05 7.04 1.01 -0.79 -0.90 121.20 131.06 1pma s ILE 13 Ca -0.07 -0.88 0.03 0.00 0.00 0.00 0.00 60.65 59.72 1pma s ILE 13 Cb -0.09 -1.99 0.01 0.00 0.01 0.00 0.00 42.46 40.40 1pma s ILE 13 CO -0.06 0.56 -0.12 -0.04 0.00 0.00 0.00 174.94 175.28 1pma s MET 14 N -0.08 1.48 0.04 2.79 -1.94 0.24 -1.19 119.30 120.62 1pma s MET 14 Ca -0.04 -0.41 -0.10 0.00 -1.71 0.00 0.00 55.69 53.42 1pma s MET 14 Cb -0.14 -1.27 0.01 0.00 2.01 0.00 0.00 34.83 35.43 1pma s MET 14 CO 0.04 0.09 0.22 0.00 -0.01 0.00 0.00 175.02 175.36 1pma s ALA 15 N 0.41 -0.43 0.17 3.03 0.00 -0.15 -1.11 121.76 123.68 1pma s ALA 15 Ca -0.09 -0.21 -0.11 0.00 0.00 0.00 0.00 51.96 51.55 1pma s ALA 15 Cb -0.13 0.28 0.00 0.00 0.00 0.00 0.00 23.12 23.27 1pma s ALA 15 CO 0.02 -0.36 0.33 0.95 0.00 0.00 0.00 175.76 176.70 1pma s THR 16 N -2.51 0.06 0.00 0.00 -4.23 -0.91 -0.36 115.64 107.70 1pma s THR 16 Ca -0.05 -1.23 0.00 0.00 -1.18 0.00 0.00 61.69 59.22 1pma s THR 16 Cb -0.01 -1.75 0.00 0.00 1.34 0.00 0.00 72.50 72.08 1pma s THR 16 CO -0.03 -0.28 0.00 -1.84 -0.54 0.00 0.00 174.62 171.93 1pma n GLU 17 N -0.23 2.30 -2.41 3.99 -0.00 -1.07 -1.09 120.64 122.13 1pma n GLU 17 Ca -0.08 0.00 -0.01 0.00 -0.00 0.00 0.00 57.16 57.06 1pma n GLU 17 Cb 0.63 0.00 0.07 0.00 -0.00 0.00 0.00 31.44 32.14 1pma n GLU 17 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.13 180.02 1pma n ARG 18 N -0.27 1.19 -3.16 3.44 1.85 -0.89 -4.66 116.66 114.16 1pma n ARG 18 Ca 0.00 -2.01 -0.40 0.00 -1.00 0.00 0.00 57.85 54.44 1pma n ARG 18 Cb 0.00 -0.27 -0.06 0.00 -1.05 0.00 0.00 32.46 31.08 1pma n ARG 18 CO 0.00 0.00 0.00 0.50 -0.01 0.00 0.00 177.63 178.12 1pma s ARG 19 N -1.19 4.20 -0.22 2.89 3.52 -0.91 -0.72 118.95 126.52 1pma s ARG 19 Ca 0.16 0.55 -0.04 0.00 -0.13 0.00 0.00 55.73 56.27 1pma s ARG 19 Cb 0.35 -3.57 -0.01 0.00 -1.56 0.00 0.00 34.95 30.15 1pma s ARG 19 CO -0.09 -0.21 -0.03 0.54 -0.81 0.00 0.00 175.30 174.70 1pma s VAL 20 N 1.83 3.55 0.20 7.11 0.11 0.53 -4.52 120.40 129.21 1pma s VAL 20 Ca 0.27 -0.44 0.08 0.00 -2.93 0.00 0.00 61.98 58.97 1pma s VAL 20 Cb -0.16 -2.62 -0.05 0.00 -1.53 0.00 0.00 36.38 32.03 1pma s VAL 20 CO 0.10 0.42 -0.15 0.28 -3.33 0.00 0.00 175.10 172.42 1pma s THR 21 N 1.41 1.77 -0.51 5.04 -1.32 -1.26 -0.70 115.64 120.07 1pma s THR 21 Ca 0.05 -2.18 0.04 0.00 -1.21 0.00 0.00 61.69 58.38 1pma s THR 21 Cb -0.14 -2.03 0.13 0.00 -1.51 0.00 0.00 72.50 68.95 1pma s THR 21 CO -0.02 -0.56 0.26 -0.32 -2.21 0.00 0.00 174.62 171.78 1pma s MET 22 N -3.53 1.93 4.83 7.08 -2.45 -0.06 -4.88 119.30 122.22 1pma s MET 22 Ca 0.22 -2.59 0.00 0.00 -1.25 0.00 0.00 55.69 52.07 1pma s MET 22 Cb -0.02 -3.25 0.00 0.00 1.25 0.00 0.00 34.83 32.81 1pma s MET 22 CO 0.07 -1.11 0.00 0.39 1.05 0.00 0.00 175.02 175.42 1pma n GLU 23 N 3.13 0.00 -0.00 4.11 1.02 -1.26 -0.46 120.64 127.18 1pma n GLU 23 Ca 0.05 0.00 0.08 0.00 -0.02 0.00 0.00 57.16 57.27 1pma n GLU 23 Cb 0.32 0.00 -0.11 0.00 -0.02 0.00 0.00 31.44 31.63 1pma n GLU 23 CO 0.00 0.00 0.00 0.27 1.18 0.00 0.00 177.13 178.58 1pma n ASN 24 N 8.89 1.22 -4.56 1.62 6.94 -1.26 -4.82 115.26 123.29 1pma n ASN 24 Ca 0.00 -0.28 -0.35 0.00 -0.02 0.00 0.00 54.58 53.93 1pma n ASN 24 Cb 0.00 1.47 -0.04 0.00 -2.36 0.00 0.00 39.78 38.85 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 -2.85 2.22 -0.55 -2.53 5.36 0.40 -4.92 117.98 115.11 1pma s PHE 25 Ca -0.02 -0.20 -0.27 0.00 -0.96 0.00 0.00 56.93 55.48 1pma s PHE 25 Cb 0.10 -4.42 -0.01 0.00 -0.34 0.00 0.00 43.02 38.36 1pma s PHE 25 CO 0.63 -1.85 1.75 -1.50 -1.46 0.00 0.00 175.22 172.79 1pma s ILE 26 N 7.20 3.47 -0.05 3.12 -1.16 -1.26 -0.89 121.20 131.62 1pma s ILE 26 Ca 0.56 0.35 0.07 0.00 -0.51 0.00 0.00 60.65 61.12 1pma s ILE 26 Cb -0.03 -3.99 -0.24 0.00 0.61 0.00 0.00 42.46 38.81 1pma s ILE 26 CO -0.06 -0.88 0.62 -0.03 -2.81 0.00 0.00 174.94 171.79 1pma h MET 27 N 13.73 0.08 -4.28 3.50 1.85 -1.84 -3.47 114.93 124.50 1pma h MET 27 Ca -0.28 -0.13 -0.55 0.00 -0.61 0.00 0.00 59.70 58.13 1pma h MET 27 Cb 1.15 0.05 -0.37 0.00 0.43 0.00 0.00 31.60 32.86 1pma h MET 27 CO 1.17 0.72 -0.80 -1.01 -0.40 0.00 0.00 176.91 176.59 1pma s HIS 28 N -2.59 1.73 0.09 1.39 3.76 0.13 -5.01 115.29 114.78 1pma s HIS 28 Ca -0.09 -1.00 0.13 0.00 -0.15 0.00 0.00 55.06 53.95 1pma s HIS 28 Cb 0.08 -1.34 0.21 0.00 1.11 0.00 0.00 32.58 32.63 1pma s HIS 28 CO 0.81 -0.59 1.51 0.87 -0.85 0.00 0.00 174.74 176.49 1pma h LYS 29 N 8.12 0.00 -2.35 1.40 1.57 -1.84 0.15 116.57 123.63 1pma h LYS 29 Ca -0.28 0.00 -0.59 0.00 -1.87 0.00 0.00 60.65 57.90 1pma h LYS 29 Cb 1.12 0.00 -0.41 0.00 0.08 0.00 0.00 32.23 33.02 1pma h LYS 29 CO 0.42 0.63 -0.75 0.09 -0.57 0.00 0.00 179.45 179.27 1pma n ASN 30 N -3.45 2.33 -2.53 0.86 4.13 -1.25 -4.30 115.26 111.04 1pma n ASN 30 Ca 0.00 -3.11 -0.07 0.00 1.68 0.00 0.00 54.58 53.08 1pma n ASN 30 Cb 0.71 -0.67 0.05 0.00 -1.54 0.00 0.00 39.78 38.33 1pma n ASN 30 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1pma n GLY 31 N 1.42 -0.74 2.82 7.41 0.00 0.10 -5.06 105.19 111.14 1pma n GLY 31 Ca 0.26 -1.75 -0.20 0.00 0.00 0.00 0.00 46.02 44.33 1pma n GLY 31 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1pma s LYS 32 N -3.58 0.52 0.00 1.61 2.20 -1.26 -4.82 119.74 114.40 1pma s LYS 32 Ca 0.19 0.05 0.00 0.00 -0.36 0.00 0.00 55.97 55.84 1pma s LYS 32 Cb -0.01 -0.72 0.00 0.00 -1.51 0.00 0.00 37.83 35.60 1pma s LYS 32 CO 0.13 -0.17 0.44 1.63 -0.36 0.00 0.00 175.35 177.02 1pma n LYS 33 N 4.43 -0.09 -4.65 4.03 5.02 -1.26 -4.97 118.16 120.67 1pma n LYS 33 Ca -0.20 -0.51 -0.33 0.00 -2.02 0.00 0.00 58.31 55.25 1pma n LYS 33 Cb 0.50 -0.83 -0.15 0.00 -0.02 0.00 0.00 35.03 34.53 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 -0.14 2.47 -0.02 -0.35 2.96 -1.26 -1.38 118.68 120.95 1pma s LEU 34 Ca 0.00 -0.46 0.02 0.00 -0.22 0.00 0.00 54.13 53.47 1pma s LEU 34 Cb 0.00 -1.55 0.00 0.00 0.50 0.00 0.00 46.19 45.14 1pma s LEU 34 CO 0.00 0.11 -0.07 -0.36 -1.32 0.00 0.00 176.35 174.71 1pma s PHE 35 N 0.68 0.69 0.19 5.38 0.08 -0.09 -4.99 117.98 119.92 1pma s PHE 35 Ca -0.08 -0.15 -0.30 0.00 0.12 0.00 0.00 56.93 56.52 1pma s PHE 35 Cb -0.16 -0.49 -0.08 0.00 -0.57 0.00 0.00 43.02 41.72 1pma s PHE 35 CO 0.02 -0.06 1.05 -1.14 -0.10 0.00 0.00 175.22 174.99 1pma s GLN 36 N 0.12 4.66 -0.01 0.44 0.74 -1.26 -0.62 119.66 123.73 1pma s GLN 36 Ca -0.01 1.65 0.03 0.00 0.05 0.00 0.00 55.36 57.08 1pma s GLN 36 Cb -0.06 -3.28 -0.05 0.00 1.10 0.00 0.00 33.01 30.72 1pma s GLN 36 CO -0.00 0.19 0.06 1.51 -0.55 0.00 0.00 175.29 176.50 1pma n ILE 37 N 2.10 0.06 -3.51 -2.34 3.06 -0.07 -4.89 119.36 113.77 1pma n ILE 37 Ca 0.01 -0.09 -0.12 0.00 -2.50 0.00 0.00 62.75 60.05 1pma n ILE 37 Cb 0.47 0.06 -0.04 0.00 0.54 0.00 0.00 39.64 40.67 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 -2.67 -0.46 0.24 9.51 2.15 -0.75 -4.73 116.67 119.96 1pma s ASP 38 Ca -0.01 0.25 0.10 0.00 0.43 0.00 0.00 52.55 53.32 1pma s ASP 38 Cb 0.02 0.43 0.80 0.00 -0.30 0.00 0.00 42.92 43.88 1pma s ASP 38 CO 0.14 -0.61 1.09 0.35 -0.17 0.00 0.00 175.17 175.97 1pma n THR 39 N 0.21 -0.29 -1.84 1.71 -2.24 -1.26 -0.38 114.28 110.20 1pma n THR 39 Ca -0.13 1.43 -0.09 0.00 -2.27 0.00 0.00 64.05 63.00 1pma n THR 39 Cb 0.60 -2.25 0.11 0.00 -2.10 0.00 0.00 70.33 66.69 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 -4.67 1.36 -3.53 4.78 4.01 -1.26 -3.22 117.16 114.63 1pma n TYR 40 Ca 0.23 -1.85 -0.15 0.00 -0.16 0.00 0.00 57.90 55.97 1pma n TYR 40 Cb 0.78 -0.29 -0.05 0.00 -0.31 0.00 0.00 39.34 39.46 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 -3.86 0.00 0.24 -0.72 -1.32 0.49 -1.93 115.64 108.54 1pma s THR 41 Ca 0.44 0.00 0.01 0.00 -1.21 0.00 0.00 61.69 60.93 1pma s THR 41 Cb 0.39 -1.00 -0.05 0.00 -1.51 0.00 0.00 72.50 70.33 1pma s THR 41 CO -0.02 0.00 0.11 -0.83 -2.21 0.00 0.00 174.62 171.67 1pma s GLY 42 N -1.28 1.66 -0.01 6.08 0.00 -0.20 -0.89 107.32 112.68 1pma s GLY 42 Ca -0.07 -1.81 -0.06 0.00 0.00 0.00 0.00 44.72 42.78 1pma s GLY 42 CO 0.06 -1.53 0.13 -0.29 0.00 0.00 0.00 173.10 171.47 1pma s MET 43 N -4.06 0.39 -0.09 2.90 1.75 0.21 -2.10 119.30 118.30 1pma s MET 43 Ca 0.38 -0.24 0.04 0.00 -1.25 0.00 0.00 55.69 54.63 1pma s MET 43 Cb 0.07 0.16 -0.01 0.00 2.84 0.00 0.00 34.83 37.90 1pma s MET 43 CO 0.13 -0.08 -0.23 0.95 -0.65 0.00 0.00 175.02 175.14 1pma s THR 44 N -0.97 2.19 -0.05 10.11 -4.23 -0.03 -0.91 115.64 121.75 1pma s THR 44 Ca -0.11 -0.99 -0.07 0.00 -1.18 0.00 0.00 61.69 59.34 1pma s THR 44 Cb -0.06 -1.83 -0.04 0.00 1.34 0.00 0.00 72.50 71.91 1pma s THR 44 CO 0.01 0.56 0.22 -0.63 -0.54 0.00 0.00 174.62 174.24 1pma s ILE 45 N 0.14 5.38 -0.29 2.99 1.01 -0.48 -2.59 121.20 127.37 1pma s ILE 45 Ca -0.12 0.20 -0.14 0.00 0.00 0.00 0.00 60.65 60.58 1pma s ILE 45 Cb -0.16 -3.51 0.10 0.00 0.01 0.00 0.00 42.46 38.90 1pma s ILE 45 CO 0.07 0.48 0.71 0.00 0.00 0.00 0.00 174.94 176.20 1pma s ALA 46 N -1.17 -1.98 0.00 9.38 0.00 -1.00 -4.88 121.76 122.10 1pma s ALA 46 Ca 0.22 2.38 0.00 0.00 0.00 0.00 0.00 51.96 54.56 1pma s ALA 46 Cb -0.13 -1.57 0.00 0.00 0.00 0.00 0.00 23.12 21.42 1pma s ALA 46 CO 0.11 -0.55 0.00 0.41 0.00 0.00 0.00 175.76 175.73 1pma n GLY 47 N 4.61 0.43 3.61 0.00 0.00 -1.26 0.01 105.19 112.59 1pma n GLY 47 Ca -0.17 -1.29 -0.43 0.00 0.00 0.00 0.00 46.02 44.13 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 3.96 0.20 0.99 2.96 -0.79 -4.97 118.68 121.02 1pma s LEU 48 Ca 0.00 0.71 -0.23 0.00 -0.22 0.00 0.00 54.13 54.39 1pma s LEU 48 Cb 0.00 -3.34 0.11 0.00 0.50 0.00 0.00 46.19 43.46 1pma s LEU 48 CO 0.00 -0.87 1.55 -0.37 -1.32 0.00 0.00 176.35 175.34 1pma h VAL 49 N 5.81 0.02 0.10 1.68 -1.51 -1.96 -0.87 116.25 119.51 1pma h VAL 49 Ca -0.22 0.00 0.01 0.00 -1.23 0.00 0.00 66.70 65.26 1pma h VAL 49 Cb 1.07 0.02 -0.05 0.00 -2.13 0.00 0.00 31.29 30.20 1pma h VAL 49 CO 1.00 0.00 -0.53 1.23 -1.23 0.00 0.00 177.57 178.04 1pma h GLY 50 N -0.04 -1.15 0.49 5.19 0.00 -1.97 0.68 103.07 106.27 1pma h GLY 50 Ca 0.26 0.65 0.10 0.00 0.00 0.00 0.00 47.33 48.34 1pma h GLY 50 CO -0.92 -0.26 0.46 -0.55 0.00 0.00 0.00 176.54 175.26 1pma h ASP 51 N -0.74 0.64 0.59 0.19 3.32 -1.77 -2.51 116.42 116.14 1pma h ASP 51 Ca -0.00 0.05 -0.02 0.00 0.02 0.00 0.00 57.03 57.08 1pma h ASP 51 Cb 0.76 -0.07 -0.00 0.00 0.22 0.00 0.00 39.33 40.24 1pma h ASP 51 CO -0.30 0.36 -0.35 0.00 -1.72 0.00 0.00 179.24 177.23 1pma h ALA 52 N 1.46 -0.89 -0.14 3.45 0.00 -0.66 -2.53 119.26 119.95 1pma h ALA 52 Ca 0.40 -0.18 0.04 0.00 0.00 0.00 0.00 54.91 55.17 1pma h ALA 52 Cb 0.39 0.42 -0.05 0.00 0.00 0.00 0.00 17.79 18.56 1pma h ALA 52 CO -0.26 -1.02 -0.14 1.96 0.00 0.00 0.00 179.25 179.79 1pma h GLN 53 N -0.88 -0.17 -0.56 0.00 4.20 -0.46 -0.20 115.11 117.04 1pma h GLN 53 Ca -0.07 0.01 -0.01 0.00 0.06 0.00 0.00 58.65 58.64 1pma h GLN 53 Cb 0.71 0.04 -0.03 0.00 0.30 0.00 0.00 27.48 28.50 1pma h GLN 53 CO 0.08 -0.11 0.31 -0.24 -0.67 0.00 0.00 178.83 178.20 1pma h VAL 54 N -0.17 1.17 -0.73 -0.54 3.04 -1.54 -1.25 116.25 116.23 1pma h VAL 54 Ca 0.10 -0.41 -0.06 0.00 -1.01 0.00 0.00 66.70 65.31 1pma h VAL 54 Cb 0.31 0.41 -0.03 0.00 -2.01 0.00 0.00 31.29 29.98 1pma h VAL 54 CO -0.24 0.18 0.21 0.25 -1.01 0.00 0.00 177.57 176.95 1pma h LEU 55 N 0.77 1.09 -0.36 3.16 5.85 -0.91 -0.90 115.31 124.01 1pma h LEU 55 Ca 0.20 -0.22 -0.01 0.00 0.84 0.00 0.00 57.88 58.69 1pma h LEU 55 Cb 0.01 -0.29 -0.02 0.00 0.37 0.00 0.00 40.66 40.74 1pma h LEU 55 CO -0.03 1.02 0.17 1.62 -0.34 0.00 0.00 178.44 180.88 1pma h VAL 56 N 1.10 1.17 -0.03 1.05 3.04 0.04 -1.84 116.25 120.78 1pma h VAL 56 Ca 0.23 -0.47 0.01 0.00 -1.01 0.00 0.00 66.70 65.46 1pma h VAL 56 Cb 0.34 0.82 -0.01 0.00 -2.01 0.00 0.00 31.29 30.43 1pma h VAL 56 CO -0.00 0.18 -0.01 0.03 -1.01 0.00 0.00 177.57 176.75 1pma h ARG 57 N 0.44 -0.01 0.14 4.17 3.08 -0.86 0.13 114.38 121.47 1pma h ARG 57 Ca 0.12 0.00 0.01 0.00 0.07 0.00 0.00 59.98 60.19 1pma h ARG 57 Cb 0.12 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.13 1pma h ARG 57 CO -0.02 -0.01 -0.51 1.88 -1.07 0.00 0.00 179.97 180.25 1pma h TYR 58 N -0.01 -1.46 -0.55 3.04 -1.99 -1.05 -1.38 116.97 113.56 1pma h TYR 58 Ca 0.02 0.04 0.11 0.00 2.00 0.00 0.00 58.73 60.89 1pma h TYR 58 Cb 0.04 0.62 -0.11 0.00 2.00 0.00 0.00 36.73 39.28 1pma h TYR 58 CO -0.11 -0.59 -0.26 1.98 -0.00 0.00 0.00 178.16 179.19 1pma h MET 59 N -0.75 -0.11 0.11 4.88 4.05 -1.09 0.21 114.93 122.23 1pma h MET 59 Ca -0.00 0.01 0.01 0.00 -0.28 0.00 0.00 59.70 59.43 1pma h MET 59 Cb 0.75 0.03 -0.04 0.00 -0.80 0.00 0.00 31.60 31.54 1pma h MET 59 CO -0.27 -0.08 -0.44 -0.22 0.23 0.00 0.00 176.91 176.13 1pma h LYS 60 N -0.12 -0.61 -0.18 0.39 3.64 -0.46 -0.22 116.57 119.01 1pma h LYS 60 Ca 0.25 0.04 0.02 0.00 -1.27 0.00 0.00 60.65 59.69 1pma h LYS 60 Cb 0.51 0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 32.45 1pma h LYS 60 CO -0.63 -0.41 0.03 0.00 -2.27 0.00 0.00 179.45 176.18 1pma h ALA 61 N -0.73 0.18 -0.94 5.00 0.00 -0.55 -1.66 119.26 120.57 1pma h ALA 61 Ca -0.01 0.03 0.17 0.00 0.00 0.00 0.00 54.91 55.10 1pma h ALA 61 Cb 0.64 0.04 -0.10 0.00 0.00 0.00 0.00 17.79 18.37 1pma h ALA 61 CO -0.23 -0.40 0.53 1.49 0.00 0.00 0.00 179.25 180.63 1pma h GLU 62 N 0.10 0.68 0.05 0.00 4.57 -0.26 -1.28 114.58 118.45 1pma h GLU 62 Ca 0.08 -0.04 -0.00 0.00 -1.18 0.00 0.00 59.36 58.22 1pma h GLU 62 Cb 0.07 -0.15 0.00 0.00 -0.16 0.00 0.00 28.75 28.51 1pma h GLU 62 CO -0.11 0.45 -0.03 -0.07 -1.18 0.00 0.00 179.01 178.08 1pma h LEU 63 N 0.70 -0.06 -0.65 1.64 4.07 -0.22 -2.59 115.31 118.21 1pma h LEU 63 Ca 0.53 -0.35 0.10 0.00 0.08 0.00 0.00 57.88 58.23 1pma h LEU 63 Cb 0.78 0.02 -0.07 0.00 1.08 0.00 0.00 40.66 42.46 1pma h LEU 63 CO -0.37 0.33 0.26 -0.08 -1.08 0.00 0.00 178.44 177.50 1pma h GLU 64 N -0.46 0.44 0.05 1.13 4.81 -0.53 -0.48 114.58 119.55 1pma h GLU 64 Ca -0.01 -0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 59.19 1pma h GLU 64 Cb 0.41 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.69 1pma h GLU 64 CO 0.01 0.29 -0.03 1.25 -0.73 0.00 0.00 179.01 179.81 1pma h LEU 65 N 0.46 -0.06 -0.49 1.64 5.85 -1.29 -2.12 115.31 119.28 1pma h LEU 65 Ca 0.33 -0.01 0.08 0.00 0.84 0.00 0.00 57.88 59.12 1pma h LEU 65 Cb 0.40 0.02 -0.07 0.00 0.37 0.00 0.00 40.66 41.38 1pma h LEU 65 CO -0.31 -0.03 0.11 0.22 -0.34 0.00 0.00 178.44 178.09 1pma h TYR 66 N -0.08 0.18 -0.03 1.25 5.03 -0.96 -0.88 116.97 121.49 1pma h TYR 66 Ca -0.01 0.03 0.04 0.00 2.58 0.00 0.00 58.73 61.37 1pma h TYR 66 Cb 0.07 -0.01 -0.05 0.00 1.55 0.00 0.00 36.73 38.29 1pma h TYR 66 CO -0.07 0.01 -0.31 -0.09 -1.32 0.00 0.00 178.16 176.38 1pma h ARG 67 N 0.25 -0.43 0.16 1.82 2.43 -0.73 0.27 114.38 118.15 1pma h ARG 67 Ca 0.25 0.03 0.01 0.00 -0.81 0.00 0.00 59.98 59.46 1pma h ARG 67 Cb 0.32 0.10 -0.03 0.00 -0.42 0.00 0.00 29.97 29.94 1pma h ARG 67 CO -0.31 -0.29 -0.24 -0.07 -1.51 0.00 0.00 179.97 177.56 1pma h LEU 68 N -0.44 -0.66 -1.45 3.80 4.07 -0.88 0.47 115.31 120.22 1pma h LEU 68 Ca 0.07 0.07 -0.02 0.00 0.08 0.00 0.00 57.88 58.08 1pma h LEU 68 Cb 0.54 0.24 -0.02 0.00 1.08 0.00 0.00 40.66 42.51 1pma h LEU 68 CO -0.28 -0.33 0.18 1.56 -1.08 0.00 0.00 178.44 178.49 1pma h GLN 69 N -0.46 0.55 -0.02 1.13 4.20 -0.87 -2.88 115.11 116.76 1pma h GLN 69 Ca 0.02 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.67 1pma h GLN 69 Cb 0.46 -0.11 0.00 0.00 0.30 0.00 0.00 27.48 28.13 1pma h GLN 69 CO -0.11 0.44 -0.16 0.54 -0.67 0.00 0.00 178.83 178.87 1pma n ARG 70 N -4.40 1.65 -1.09 1.46 1.74 0.92 -4.97 116.66 111.97 1pma n ARG 70 Ca 0.03 -1.35 -0.03 0.00 -0.77 0.00 0.00 57.85 55.72 1pma n ARG 70 Cb 0.13 -1.37 -0.01 0.00 -1.02 0.00 0.00 32.46 30.18 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 0.62 -1.85 -3.86 5.56 3.00 0.16 -4.91 116.66 115.38 1pma n ARG 71 Ca 0.10 0.60 -0.09 0.00 -0.00 0.00 0.00 57.85 58.45 1pma n ARG 71 Cb 0.45 -5.04 -0.08 0.00 0.00 0.00 0.00 32.46 27.80 1pma n ARG 71 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 1pma s VAL 72 N -1.30 0.13 0.39 5.15 0.11 -1.19 -5.02 120.40 118.67 1pma s VAL 72 Ca 0.00 -1.08 -0.24 0.00 -2.93 0.00 0.00 61.98 57.73 1pma s VAL 72 Cb 0.00 -1.16 -0.09 0.00 -1.53 0.00 0.00 36.38 33.59 1pma s VAL 72 CO 0.00 -0.60 1.02 0.20 -3.33 0.00 0.00 175.10 172.40 1pma s ASN 73 N -2.54 6.87 0.19 3.54 -0.87 -1.26 -4.24 114.94 116.63 1pma s ASN 73 Ca 0.01 1.97 -0.30 0.00 -1.57 0.00 0.00 52.86 52.97 1pma s ASN 73 Cb 0.02 -2.58 -0.08 0.00 -0.02 0.00 0.00 41.25 38.59 1pma s ASN 73 CO -0.08 -0.41 1.27 -0.32 -2.57 0.00 0.00 177.10 174.99 1pma s MET 74 N -2.49 4.42 0.51 -0.60 -2.45 -1.26 -4.98 119.30 112.45 1pma s MET 74 Ca 0.57 1.98 -0.21 0.00 -1.25 0.00 0.00 55.69 56.78 1pma s MET 74 Cb -0.20 -3.21 -0.06 0.00 1.25 0.00 0.00 34.83 32.61 1pma s MET 74 CO 0.25 -0.20 1.22 -2.14 1.05 0.00 0.00 175.02 175.20 1pma s PRO 75 N -0.11 3.42 0.16 4.11 0.02 -1.26 -4.82 135.00 136.52 1pma s PRO 75 Ca 0.55 1.88 -0.16 0.00 0.02 0.00 0.00 61.00 63.30 1pma s PRO 75 Cb -0.35 -2.24 0.10 0.00 0.02 0.00 0.00 34.50 32.03 1pma s PRO 75 CO 0.37 -0.86 1.71 0.82 -0.33 0.00 0.00 177.00 178.71 1pma h ILE 76 N 1.51 0.75 -0.43 2.83 1.08 -1.93 0.25 117.51 121.57 1pma h ILE 76 Ca -0.50 -0.05 0.08 0.00 -0.39 0.00 0.00 64.86 64.00 1pma h ILE 76 Cb 1.27 0.60 -0.02 0.00 -3.07 0.00 0.00 36.82 35.59 1pma h ILE 76 CO 0.58 0.03 0.29 -0.08 -0.69 0.00 0.00 178.15 178.28 1pma h GLU 77 N 0.14 0.24 -0.00 2.37 4.81 -1.99 -0.54 114.58 119.62 1pma h GLU 77 Ca 0.19 -0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.40 1pma h GLU 77 Cb 0.25 -0.06 -0.00 0.00 0.63 0.00 0.00 28.75 29.57 1pma h GLU 77 CO -0.28 0.16 -0.00 0.00 -0.73 0.00 0.00 179.01 178.16 1pma h ALA 78 N 1.78 0.00 -0.79 2.92 0.00 -0.94 -1.20 119.26 121.03 1pma h ALA 78 Ca 0.19 -0.22 0.02 0.00 0.00 0.00 0.00 54.91 54.91 1pma h ALA 78 Cb 0.44 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.18 1pma h ALA 78 CO -0.04 -0.28 0.51 -0.24 0.00 0.00 0.00 179.25 179.21 1pma h VAL 79 N -0.43 1.15 0.09 0.00 3.04 -0.04 -0.37 116.25 119.70 1pma h VAL 79 Ca 0.00 -0.35 0.01 0.00 -1.01 0.00 0.00 66.70 65.35 1pma h VAL 79 Cb 0.44 0.04 -0.01 0.00 -2.01 0.00 0.00 31.29 29.75 1pma h VAL 79 CO 0.00 0.19 -0.11 0.00 -1.01 0.00 0.00 177.57 176.64 1pma h ALA 80 N 1.32 -0.19 -0.16 3.17 0.00 -1.11 -1.07 119.26 121.21 1pma h ALA 80 Ca 0.31 -0.02 0.04 0.00 0.00 0.00 0.00 54.91 55.24 1pma h ALA 80 Cb -0.04 0.17 -0.05 0.00 0.00 0.00 0.00 17.79 17.87 1pma h ALA 80 CO -0.09 -0.63 -0.14 1.15 0.00 0.00 0.00 179.25 179.54 1pma h THR 81 N -0.23 0.60 -0.23 0.00 2.02 -0.55 0.21 112.91 114.74 1pma h THR 81 Ca 0.01 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.25 1pma h THR 81 Cb 0.24 0.60 -0.07 0.00 -1.74 0.00 0.00 68.15 67.18 1pma h THR 81 CO -0.05 0.00 -0.28 0.25 0.37 0.00 0.00 175.52 175.81 1pma h LEU 82 N -0.16 -0.90 -1.11 2.58 5.85 -0.74 0.15 115.31 120.97 1pma h LEU 82 Ca 0.10 0.15 0.10 0.00 0.84 0.00 0.00 57.88 59.07 1pma h LEU 82 Cb 0.31 0.41 -0.07 0.00 0.37 0.00 0.00 40.66 41.68 1pma h LEU 82 CO -0.25 -0.31 0.61 0.25 -0.34 0.00 0.00 178.44 178.39 1pma h LEU 83 N -0.30 0.87 0.44 2.25 5.85 -0.47 0.10 115.31 124.06 1pma h LEU 83 Ca 0.13 0.03 -0.02 0.00 0.84 0.00 0.00 57.88 58.86 1pma h LEU 83 Cb 0.50 -0.15 -0.00 0.00 0.37 0.00 0.00 40.66 41.38 1pma h LEU 83 CO -0.40 0.51 -0.25 -1.28 -0.34 0.00 0.00 178.44 176.68 1pma h SER 84 N 0.96 -0.61 -0.43 1.25 0.87 0.13 -1.87 113.55 113.85 1pma h SER 84 Ca 0.44 0.03 0.07 0.00 -1.23 0.00 0.00 61.79 61.10 1pma h SER 84 Cb 0.41 0.17 -0.06 0.00 -0.44 0.00 0.00 62.40 62.48 1pma h SER 84 CO -0.20 -0.41 0.08 0.78 -0.53 0.00 0.00 176.83 176.55 1pma h ASN 85 N -0.65 0.00 -0.21 6.23 4.21 0.53 -1.81 115.58 123.89 1pma h ASN 85 Ca -0.05 0.07 0.04 0.00 1.21 0.00 0.00 56.30 57.57 1pma h ASN 85 Cb 0.52 0.10 -0.04 0.00 -1.12 0.00 0.00 38.32 37.79 1pma h ASN 85 CO 0.07 0.04 -0.03 0.24 -1.29 0.00 0.00 177.43 176.46 1pma h MET 86 N 0.22 0.03 -0.16 0.81 2.86 -0.81 -2.14 114.93 115.74 1pma h MET 86 Ca 0.21 -0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.83 1pma h MET 86 Cb 0.26 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 31.91 1pma h MET 86 CO -0.27 0.02 0.04 -0.07 1.06 0.00 0.00 176.91 177.69 1pma h LEU 87 N 0.03 0.23 -0.76 1.22 4.07 -0.94 -3.19 115.31 115.97 1pma h LEU 87 Ca 0.10 -0.22 -0.07 0.00 0.08 0.00 0.00 57.88 57.77 1pma h LEU 87 Cb 0.14 -0.06 -0.03 0.00 1.08 0.00 0.00 40.66 41.79 1pma h LEU 87 CO -0.19 0.39 0.13 -1.13 -1.08 0.00 0.00 178.44 176.56 1pma h ASN 88 N 0.06 1.02 -0.87 -0.43 -0.73 -1.34 -2.78 115.58 110.50 1pma h ASN 88 Ca 0.05 -0.23 0.24 0.00 1.87 0.00 0.00 56.30 58.24 1pma h ASN 88 Cb 0.25 -0.27 -0.04 0.00 0.27 0.00 0.00 38.32 38.53 1pma h ASN 88 CO -0.00 1.00 0.62 -0.61 -0.37 0.00 0.00 177.43 178.06 1pma h GLN 89 N 1.01 0.05 -0.08 6.67 4.15 -1.37 0.23 115.11 125.76 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 0.40 -0.01 -0.02 0.00 0.21 0.00 0.00 27.48 28.05 1pma h GLN 89 CO 0.01 0.03 -0.29 1.55 -1.93 0.00 0.00 178.83 178.20 1pma n VAL 90 N -4.31 2.22 -0.33 2.39 3.14 -1.07 -4.80 118.33 115.57 1pma n VAL 90 Ca 0.18 -2.88 0.31 0.00 -2.96 0.00 0.00 64.34 58.99 1pma n VAL 90 Cb 0.90 -0.26 0.66 0.00 -1.06 0.00 0.00 33.84 34.09 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 0.84 0.13 -0.00 1.45 2.10 -0.71 0.40 116.57 120.78 1pma h LYS 91 Ca 0.04 -0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.69 1pma h LYS 91 Cb 1.16 -0.03 0.00 0.00 -0.90 0.00 0.00 32.23 32.46 1pma h LYS 91 CO 0.09 0.09 -0.00 0.66 -2.00 0.00 0.00 179.45 178.28 1pma n TYR 92 N -4.36 0.00 -2.88 0.07 4.01 -1.26 -3.51 117.16 109.23 1pma n TYR 92 Ca 0.26 0.00 -0.12 0.00 -0.16 0.00 0.00 57.90 57.88 1pma n TYR 92 Cb 1.13 -0.17 0.05 0.00 -0.31 0.00 0.00 39.34 40.05 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 -1.15 1.00 -1.48 -0.72 2.81 0.07 -5.15 117.12 112.50 1pma n MET 93 Ca 0.18 -2.42 -0.33 0.00 -1.81 0.00 0.00 57.70 53.32 1pma n MET 93 Cb 0.19 -1.26 0.08 0.00 -0.71 0.00 0.00 33.22 31.52 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 -0.64 2.32 -0.56 0.03 0.04 -0.82 -4.94 135.00 130.44 1pma s PRO 94 Ca 0.28 1.53 -0.25 0.00 0.04 0.00 0.00 61.00 62.61 1pma s PRO 94 Cb 0.31 -1.88 0.04 0.00 0.04 0.00 0.00 34.50 33.01 1pma s PRO 94 CO -0.06 -1.65 0.97 0.71 0.04 0.00 0.00 177.00 177.01 1pma s TYR 95 N -2.28 2.76 -0.91 0.56 2.02 -1.26 -4.91 117.35 113.34 1pma s TYR 95 Ca 0.69 0.01 -0.25 0.00 -0.37 0.00 0.00 57.07 57.15 1pma s TYR 95 Cb -0.24 -4.14 -0.08 0.00 -0.40 0.00 0.00 41.96 37.10 1pma s TYR 95 CO 0.46 -1.40 2.06 -1.64 -1.57 0.00 0.00 175.55 173.46 1pma s MET 96 N 4.09 2.27 0.00 -0.62 -1.94 -1.26 -4.69 119.30 117.15 1pma s MET 96 Ca 0.31 -0.18 -0.17 0.00 -1.71 0.00 0.00 55.69 53.94 1pma s MET 96 Cb -0.12 -5.01 0.03 0.00 2.01 0.00 0.00 34.83 31.74 1pma s MET 96 CO 0.19 -3.77 0.37 0.54 -0.01 0.00 0.00 175.02 172.34 1pma s VAL 97 N 11.57 0.06 -0.20 -6.03 0.11 -1.26 -1.89 120.40 122.75 1pma s VAL 97 Ca 0.76 -0.46 0.01 0.00 -2.93 0.00 0.00 61.98 59.36 1pma s VAL 97 Cb -0.08 -0.78 0.05 0.00 -1.53 0.00 0.00 36.38 34.04 1pma s VAL 97 CO 0.03 -0.25 -0.08 -1.58 -3.33 0.00 0.00 175.10 169.89 1pma s GLN 98 N -1.76 1.80 0.08 1.54 0.74 0.10 -2.99 119.66 119.16 1pma s GLN 98 Ca -0.10 -0.81 0.05 0.00 0.05 0.00 0.00 55.36 54.56 1pma s GLN 98 Cb -0.03 -2.37 -0.04 0.00 1.10 0.00 0.00 33.01 31.67 1pma s GLN 98 CO 0.02 -0.47 -0.06 -0.51 -0.55 0.00 0.00 175.29 173.72 1pma s LEU 99 N 1.45 3.23 -0.07 3.68 1.43 -0.55 -2.38 118.68 125.47 1pma s LEU 99 Ca -0.02 -0.26 0.00 0.00 -1.03 0.00 0.00 54.13 52.82 1pma s LEU 99 Cb -0.17 -1.97 0.02 0.00 0.03 0.00 0.00 46.19 44.11 1pma s LEU 99 CO -0.08 0.20 -0.05 -0.22 0.23 0.00 0.00 176.35 176.43 1pma s LEU 100 N -2.10 1.17 -0.06 1.79 2.96 -1.07 -0.21 118.68 121.16 1pma s LEU 100 Ca 0.22 -0.17 0.02 0.00 -0.22 0.00 0.00 54.13 53.98 1pma s LEU 100 Cb -0.11 -0.57 0.02 0.00 0.50 0.00 0.00 46.19 46.02 1pma s LEU 100 CO 0.14 -0.09 -0.10 0.54 -1.32 0.00 0.00 176.35 175.52 1pma s VAL 101 N 1.28 0.99 0.14 1.68 0.11 0.05 -0.85 120.40 123.80 1pma s VAL 101 Ca -0.05 -0.39 0.05 0.00 -2.93 0.00 0.00 61.98 58.66 1pma s VAL 101 Cb -0.14 -0.92 -0.04 0.00 -1.53 0.00 0.00 36.38 33.75 1pma s VAL 101 CO -0.02 0.32 -0.12 -0.83 -3.33 0.00 0.00 175.10 171.13 1pma s GLY 102 N 0.73 1.07 0.00 6.54 0.00 -0.89 0.39 107.32 115.16 1pma s GLY 102 Ca -0.14 -1.41 0.00 0.00 0.00 0.00 0.00 44.72 43.17 1pma s GLY 102 CO 0.03 -1.50 0.00 0.61 0.00 0.00 0.00 173.10 172.24 1pma n GLY 103 N 0.08 -0.39 2.76 0.20 0.00 -0.89 -1.03 105.19 105.92 1pma n GLY 103 Ca -0.12 -1.02 -0.23 0.00 0.00 0.00 0.00 46.02 44.66 1pma n GLY 103 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1pma s ILE 104 N -2.00 0.31 0.00 -0.61 2.07 -0.81 -1.15 121.20 119.00 1pma s ILE 104 Ca 0.00 0.16 0.00 0.00 -1.41 0.00 0.00 60.65 59.40 1pma s ILE 104 Cb 0.00 -0.48 0.00 0.00 0.13 0.00 0.00 42.46 42.11 1pma s ILE 104 CO 0.00 0.25 0.00 -0.90 -1.91 0.00 0.00 174.94 172.38 1pma n ASP 105 N 5.17 0.00 0.25 4.50 5.68 -1.26 -4.85 116.55 126.04 1pma n ASP 105 Ca -0.06 0.00 0.13 0.00 -0.50 0.00 0.00 54.79 54.35 1pma n ASP 105 Cb 0.50 0.00 0.66 0.00 -1.14 0.00 0.00 41.12 41.14 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 0.48 -2.94 2.12 1.03 -2.02 -3.45 112.91 108.13 1pma h THR 106 Ca 0.00 -0.70 0.05 0.00 -0.01 0.00 0.00 66.41 65.75 1pma h THR 106 Cb 0.00 1.48 -0.03 0.00 -1.07 0.00 0.00 68.15 68.53 1pma h THR 106 CO 0.00 0.14 0.28 0.00 -0.01 0.00 0.00 175.52 175.93 1pma s ALA 107 N -3.96 -1.08 0.49 0.00 0.00 -1.26 -5.17 121.76 110.78 1pma s ALA 107 Ca -0.01 -0.45 -0.19 0.00 0.00 0.00 0.00 51.96 51.30 1pma s ALA 107 Cb 0.12 0.76 -0.09 0.00 0.00 0.00 0.00 23.12 23.91 1pma s ALA 107 CO 0.59 -1.02 0.99 -2.14 0.00 0.00 0.00 175.76 174.18 1pma s PRO 108 N -3.17 3.96 0.16 0.00 0.02 -1.26 -4.39 135.00 130.32 1pma s PRO 108 Ca 0.13 1.11 -0.13 0.00 0.02 0.00 0.00 61.00 62.14 1pma s PRO 108 Cb -0.05 -2.13 0.01 0.00 0.02 0.00 0.00 34.50 32.34 1pma s PRO 108 CO 0.08 -0.27 0.37 -1.01 -0.33 0.00 0.00 177.00 175.85 1pma s HIS 109 N -2.33 0.12 -0.30 6.54 3.76 -0.30 -4.97 115.29 117.81 1pma s HIS 109 Ca 0.62 -0.47 -0.10 0.00 -0.15 0.00 0.00 55.06 54.96 1pma s HIS 109 Cb -0.11 0.14 0.14 0.00 1.11 0.00 0.00 32.58 33.85 1pma s HIS 109 CO 0.23 -0.76 0.70 0.54 -0.85 0.00 0.00 174.74 174.59 1pma s VAL 110 N -3.90 -0.92 0.01 -0.90 0.11 -1.26 -2.10 120.40 111.44 1pma s VAL 110 Ca 0.11 0.00 0.07 0.00 -2.93 0.00 0.00 61.98 59.23 1pma s VAL 110 Cb 0.02 -1.00 -0.03 0.00 -1.53 0.00 0.00 36.38 33.84 1pma s VAL 110 CO -0.04 0.00 -0.19 -0.36 -3.33 0.00 0.00 175.10 171.18 1pma s PHE 111 N 2.84 2.53 -0.22 1.54 0.40 0.16 -2.66 117.98 122.56 1pma s PHE 111 Ca -0.03 -0.28 -0.10 0.00 -0.60 0.00 0.00 56.93 55.92 1pma s PHE 111 Cb -0.11 -1.50 -0.05 0.00 0.51 0.00 0.00 43.02 41.87 1pma s PHE 111 CO -0.19 0.18 0.13 0.45 0.70 0.00 0.00 175.22 176.49 1pma s SER 112 N -1.12 5.97 -0.06 1.36 0.15 0.10 -0.77 113.70 119.33 1pma s SER 112 Ca 0.13 0.10 0.05 0.00 0.70 0.00 0.00 55.95 56.93 1pma s SER 112 Cb -0.10 -2.06 -0.00 0.00 -1.71 0.00 0.00 66.02 62.14 1pma s SER 112 CO 0.03 0.10 -0.21 -0.63 1.20 0.00 0.00 173.24 173.73 1pma s ILE 113 N 0.83 1.71 0.26 6.45 -1.09 0.71 -1.95 121.20 128.12 1pma s ILE 113 Ca 0.07 -0.87 0.08 0.00 -2.23 0.00 0.00 60.65 57.70 1pma s ILE 113 Cb -0.13 -1.47 -0.04 0.00 -1.58 0.00 0.00 42.46 39.25 1pma s ILE 113 CO 0.02 0.48 0.14 1.51 -1.23 0.00 0.00 174.94 175.87 1pma s ASP 114 N 0.03 5.24 0.55 3.58 1.47 -0.72 -1.48 116.67 125.34 1pma s ASP 114 Ca -0.06 -0.36 0.16 0.00 1.18 0.00 0.00 52.55 53.47 1pma s ASP 114 Cb -0.13 -1.24 0.87 0.00 -0.34 0.00 0.00 42.92 42.08 1pma s ASP 114 CO 0.04 -0.03 1.44 0.00 0.68 0.00 0.00 175.17 177.30 1pma h ALA 115 N 1.61 1.47 -0.50 2.11 0.00 -1.81 0.58 119.26 122.72 1pma h ALA 115 Ca -0.47 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.44 1pma h ALA 115 Cb 1.24 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.03 1pma h ALA 115 CO 0.61 -0.47 0.00 0.00 0.00 0.00 0.00 179.25 179.39 1pma n ALA 116 N -1.66 3.13 -1.36 0.00 0.00 -1.26 -4.49 120.51 114.87 1pma n ALA 116 Ca -0.01 -1.80 -0.07 0.00 0.00 0.00 0.00 53.44 51.56 1pma n ALA 116 Cb 0.54 -0.89 -0.03 0.00 0.00 0.00 0.00 19.45 19.08 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 0.51 0.77 3.69 0.00 0.00 0.20 -3.87 105.19 106.49 1pma n GLY 117 Ca 0.23 -0.72 -0.42 0.00 0.00 0.00 0.00 46.02 45.12 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 -2.89 2.35 -0.08 -0.02 0.00 -1.24 -4.72 107.32 100.73 1pma s GLY 118 Ca 0.00 0.30 0.03 0.00 0.00 0.00 0.00 44.72 45.05 1pma s GLY 118 CO 0.00 1.81 -0.18 -0.45 0.00 0.00 0.00 173.10 174.28 1pma s SER 119 N 1.09 2.41 -0.10 1.64 0.15 -1.26 -1.75 113.70 115.88 1pma s SER 119 Ca 0.46 -0.42 -0.10 0.00 0.70 0.00 0.00 55.95 56.59 1pma s SER 119 Cb -0.18 -1.05 0.03 0.00 -1.71 0.00 0.00 66.02 63.10 1pma s SER 119 CO 0.17 0.10 0.28 0.54 1.20 0.00 0.00 173.24 175.54 1pma s VAL 120 N 0.45 0.01 0.04 4.45 0.11 -0.82 -4.99 120.40 119.63 1pma s VAL 120 Ca -0.15 -0.06 -0.01 0.00 -2.93 0.00 0.00 61.98 58.83 1pma s VAL 120 Cb -0.16 -0.42 -0.04 0.00 -1.53 0.00 0.00 36.38 34.23 1pma s VAL 120 CO 0.06 -0.03 0.19 -0.70 -3.33 0.00 0.00 175.10 171.29 1pma s GLU 121 N -0.01 3.40 0.26 1.54 2.12 -1.26 0.00 118.70 124.75 1pma s GLU 121 Ca -0.02 -0.42 -0.01 0.00 0.36 0.00 0.00 54.97 54.89 1pma s GLU 121 Cb -0.02 -3.04 0.00 0.00 0.26 0.00 0.00 34.13 31.33 1pma s GLU 121 CO 0.01 0.63 0.34 -3.47 -0.54 0.00 0.00 175.26 172.23 1pma n ASP 122 N 0.51 -0.95 -0.17 -1.70 2.03 -1.09 -4.97 116.55 110.20 1pma n ASP 122 Ca -0.07 -2.43 0.12 0.00 0.52 0.00 0.00 54.79 52.93 1pma n ASP 122 Cb 0.52 1.81 0.28 0.00 -0.72 0.00 0.00 41.12 43.00 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 -0.43 0.00 0.00 5.18 -0.00 -1.26 -4.42 119.36 118.43 1pma n ILE 123 Ca 0.01 -0.09 0.00 0.00 -0.00 0.00 0.00 62.75 62.67 1pma n ILE 123 Cb 0.44 0.45 0.00 0.00 -0.00 0.00 0.00 39.64 40.52 1pma n ILE 123 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 1pma n TYR 124 N -0.93 0.00 -3.56 4.28 4.11 -1.26 0.28 117.16 120.08 1pma n TYR 124 Ca 0.09 0.00 -0.17 0.00 -0.00 0.00 0.00 57.90 57.82 1pma n TYR 124 Cb 0.35 0.00 -0.06 0.00 -0.00 0.00 0.00 39.34 39.63 1pma n TYR 124 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 1pma s ALA 125 N -1.85 -1.62 0.20 -3.48 0.00 0.58 -4.98 121.76 110.61 1pma s ALA 125 Ca 0.00 1.17 0.11 0.00 0.00 0.00 0.00 51.96 53.24 1pma s ALA 125 Cb 0.00 0.01 -0.04 0.00 0.00 0.00 0.00 23.12 23.09 1pma s ALA 125 CO 0.00 -0.35 -0.19 0.45 0.00 0.00 0.00 175.76 175.67 1pma s SER 126 N -1.21 3.71 0.02 0.00 0.15 -1.26 -0.80 113.70 114.32 1pma s SER 126 Ca -0.11 -0.79 -0.00 0.00 0.70 0.00 0.00 55.95 55.74 1pma s SER 126 Cb -0.01 -0.41 -0.02 0.00 -1.71 0.00 0.00 66.02 63.87 1pma s SER 126 CO 0.09 0.11 -0.02 0.28 1.20 0.00 0.00 173.24 174.90 1pma s THR 127 N -1.77 0.12 0.00 6.45 -1.32 0.22 -4.92 115.64 114.42 1pma s THR 127 Ca 0.23 -0.99 0.00 0.00 -1.21 0.00 0.00 61.69 59.72 1pma s THR 127 Cb -0.08 -0.39 0.00 0.00 -1.51 0.00 0.00 72.50 70.52 1pma s THR 127 CO 0.12 -0.54 0.00 0.61 -2.21 0.00 0.00 174.62 172.60 1pma n GLY 128 N 1.45 0.33 0.31 6.08 0.00 -1.26 -0.96 105.19 111.13 1pma n GLY 128 Ca -0.23 -2.06 0.14 0.00 0.00 0.00 0.00 46.02 43.87 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 0.06 -0.28 1.61 0.87 -0.94 0.11 113.55 114.98 1pma h SER 129 Ca 0.00 0.19 0.00 0.00 -1.23 0.00 0.00 61.79 60.75 1pma h SER 129 Cb 0.00 0.25 0.00 0.00 -0.44 0.00 0.00 62.40 62.21 1pma h SER 129 CO 0.00 -0.15 0.00 0.61 -0.53 0.00 0.00 176.83 176.76 1pma n GLY 130 N -1.37 0.40 0.40 5.77 0.00 -1.18 -4.61 105.19 104.60 1pma n GLY 130 Ca 0.22 -0.35 -0.07 0.00 0.00 0.00 0.00 46.02 45.83 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 1.87 -1.69 -0.10 1.61 0.02 -0.99 -2.84 113.55 111.43 1pma h SER 131 Ca 0.00 0.30 0.04 0.00 -0.84 0.00 0.00 61.79 61.29 1pma h SER 131 Cb 0.42 0.80 -0.06 0.00 0.14 0.00 0.00 62.40 63.70 1pma h SER 131 CO 0.00 -0.29 -0.31 -0.65 -1.14 0.00 0.00 176.83 174.45 1pma h PRO 132 N -0.08 -0.39 -0.50 3.45 0.11 -1.83 0.81 132.00 133.57 1pma h PRO 132 Ca 0.23 0.03 0.09 0.00 0.11 0.00 0.00 66.00 66.46 1pma h PRO 132 Cb 0.53 0.09 -0.08 0.00 0.11 0.00 0.00 31.00 31.65 1pma h PRO 132 CO -0.88 -0.26 0.03 0.74 -0.21 0.00 0.00 178.00 177.43 1pma h PHE 133 N -0.40 0.02 -0.11 0.65 0.04 -1.86 -0.90 116.94 114.38 1pma h PHE 133 Ca 0.09 0.04 -0.01 0.00 2.80 0.00 0.00 57.97 60.88 1pma h PHE 133 Cb 0.53 0.07 -0.00 0.00 2.20 0.00 0.00 35.95 38.75 1pma h PHE 133 CO -0.38 -0.09 0.03 -0.24 -0.60 0.00 0.00 178.31 177.03 1pma h VAL 134 N 0.15 1.19 -0.38 -0.55 3.04 -1.42 -1.72 116.25 116.57 1pma h VAL 134 Ca 0.25 -0.60 0.11 0.00 -1.01 0.00 0.00 66.70 65.45 1pma h VAL 134 Cb 0.38 1.38 -0.02 0.00 -2.01 0.00 0.00 31.29 31.02 1pma h VAL 134 CO -0.40 0.18 0.55 1.88 -1.01 0.00 0.00 177.57 178.77 1pma h TYR 135 N -0.02 0.00 0.25 3.17 0.05 0.15 0.13 116.97 120.70 1pma h TYR 135 Ca 0.04 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.80 1pma h TYR 135 Cb 0.25 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.99 1pma h TYR 135 CO 0.01 0.00 -0.12 0.78 -1.05 0.00 0.00 178.16 177.78 1pma h GLY 136 N 0.00 -0.35 2.00 3.88 0.00 -0.28 -1.60 103.07 106.73 1pma h GLY 136 Ca 0.18 0.13 -0.01 0.00 0.00 0.00 0.00 47.33 47.63 1pma h GLY 136 CO -0.00 -0.13 -0.03 -0.39 0.00 0.00 0.00 176.54 175.99 1pma h VAL 137 N -0.98 0.61 -0.00 4.60 -1.51 -0.76 -0.22 116.25 117.99 1pma h VAL 137 Ca -0.03 -0.12 -0.01 0.00 -1.23 0.00 0.00 66.70 65.31 1pma h VAL 137 Cb 0.25 1.07 0.00 0.00 -2.13 0.00 0.00 31.29 30.49 1pma h VAL 137 CO 0.06 0.03 -0.02 -0.07 -1.23 0.00 0.00 177.57 176.33 1pma h LEU 138 N 0.00 0.02 -2.13 4.19 4.07 -0.91 -0.01 115.31 120.54 1pma h LEU 138 Ca -0.00 -0.70 0.05 0.00 0.08 0.00 0.00 57.88 57.31 1pma h LEU 138 Cb 0.07 -0.01 -0.01 0.00 1.08 0.00 0.00 40.66 41.80 1pma h LEU 138 CO 0.00 0.72 0.15 -0.08 -1.08 0.00 0.00 178.44 178.15 1pma h GLU 139 N -0.67 0.00 0.22 1.13 4.57 -0.33 -0.48 114.58 119.01 1pma h GLU 139 Ca -0.00 0.00 -0.34 0.00 -1.18 0.00 0.00 59.36 57.84 1pma h GLU 139 Cb 0.72 0.00 0.02 0.00 -0.16 0.00 0.00 28.75 29.34 1pma h GLU 139 CO 0.00 0.00 -1.58 1.03 -1.18 0.00 0.00 179.01 177.28 1pma h SER 140 N 0.00 0.72 0.00 1.04 0.87 -0.94 -3.42 113.55 111.82 1pma h SER 140 Ca 0.08 -0.88 0.00 0.00 -1.23 0.00 0.00 61.79 59.77 1pma h SER 140 Cb 0.38 -0.23 0.00 0.00 -0.44 0.00 0.00 62.40 62.11 1pma h SER 140 CO -0.00 1.71 0.00 0.00 -0.53 0.00 0.00 176.83 178.01 1pma n GLN 141 N -3.64 0.32 -2.59 2.24 6.02 -0.03 -5.05 117.38 114.64 1pma n GLN 141 Ca -0.20 -0.65 -0.41 0.00 -0.01 0.00 0.00 57.00 55.74 1pma n GLN 141 Cb 1.09 -0.84 -0.04 0.00 1.02 0.00 0.00 30.24 31.47 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 -0.25 3.69 -0.03 1.08 5.04 -0.22 -5.02 117.35 121.65 1pma s TYR 142 Ca 0.00 1.69 -0.00 0.00 -2.44 0.00 0.00 57.07 56.32 1pma s TYR 142 Cb 0.00 -3.19 0.03 0.00 0.35 0.00 0.00 41.96 39.15 1pma s TYR 142 CO 0.00 -0.29 0.03 0.45 -1.34 0.00 0.00 175.55 174.41 1pma s SER 143 N -0.26 0.39 0.67 4.32 0.15 -1.26 -4.99 113.70 112.72 1pma s SER 143 Ca 0.47 0.04 0.43 0.00 0.70 0.00 0.00 55.95 57.59 1pma s SER 143 Cb -0.28 -0.10 2.32 0.00 -1.71 0.00 0.00 66.02 66.25 1pma s SER 143 CO 0.34 -0.16 2.31 1.05 1.20 0.00 0.00 173.24 177.98 1pma h GLU 144 N 7.60 0.00 -0.82 5.44 -0.00 -1.95 -1.40 114.58 123.45 1pma h GLU 144 Ca -0.37 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 58.99 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 0.39 0.00 0.00 1.63 -0.00 0.00 0.00 179.01 181.03 1pma n LYS 145 N -3.06 2.27 -2.68 1.06 5.02 -1.26 -4.15 118.16 115.35 1pma n LYS 145 Ca -0.03 -1.06 -0.29 0.00 -2.02 0.00 0.00 58.31 54.92 1pma n LYS 145 Cb 0.12 -1.72 -0.01 0.00 -0.02 0.00 0.00 35.03 33.39 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 -1.60 3.65 0.38 1.97 -1.94 -0.53 -5.08 119.30 116.15 1pma s MET 146 Ca 0.18 0.36 -0.04 0.00 -1.71 0.00 0.00 55.69 54.48 1pma s MET 146 Cb 0.14 -2.36 -0.04 0.00 2.01 0.00 0.00 34.83 34.57 1pma s MET 146 CO 0.06 -0.15 0.65 0.95 -0.01 0.00 0.00 175.02 176.51 1pma s THR 147 N -2.60 4.99 0.48 2.05 -4.23 -1.26 -4.75 115.64 110.31 1pma s THR 147 Ca 0.50 0.01 0.21 0.00 -1.18 0.00 0.00 61.69 61.23 1pma s THR 147 Cb -0.10 -3.81 0.38 0.00 1.34 0.00 0.00 72.50 70.31 1pma s THR 147 CO 0.39 -0.58 1.95 1.62 -0.54 0.00 0.00 174.62 177.46 1pma h VAL 148 N 0.78 0.75 0.07 2.29 3.04 -1.98 0.13 116.25 121.33 1pma h VAL 148 Ca -0.48 -0.07 -0.27 0.00 -1.01 0.00 0.00 66.70 64.87 1pma h VAL 148 Cb 1.20 0.52 0.02 0.00 -2.01 0.00 0.00 31.29 31.02 1pma h VAL 148 CO 0.63 0.04 -1.13 -0.78 -1.01 0.00 0.00 177.57 175.32 1pma h ASP 149 N 0.21 0.75 -0.48 3.17 1.82 -2.01 -2.63 116.42 117.25 1pma h ASP 149 Ca 0.33 -0.66 -0.00 0.00 -0.39 0.00 0.00 57.03 56.31 1pma h ASP 149 Cb 1.00 -0.23 -0.02 0.00 0.68 0.00 0.00 39.33 40.75 1pma h ASP 149 CO -0.06 1.47 0.29 -0.33 -1.61 0.00 0.00 179.24 178.99 1pma h GLU 150 N 0.27 0.65 0.06 0.28 5.08 -1.38 -3.05 114.58 116.49 1pma h GLU 150 Ca -0.14 -0.06 0.02 0.00 -1.00 0.00 0.00 59.36 58.18 1pma h GLU 150 Cb 1.79 -0.14 -0.05 0.00 0.50 0.00 0.00 28.75 30.85 1pma h GLU 150 CO 0.21 0.48 -0.46 0.78 -1.00 0.00 0.00 179.01 179.02 1pma h GLY 151 N 0.64 -0.94 -0.16 -3.84 0.00 -0.73 -0.68 103.07 97.36 1pma h GLY 151 Ca 0.17 0.56 0.26 0.00 0.00 0.00 0.00 47.33 48.32 1pma h GLY 151 CO -0.03 -0.26 0.63 -0.24 0.00 0.00 0.00 176.54 176.64 1pma h VAL 152 N -0.66 0.53 0.50 4.60 3.04 -1.42 0.19 116.25 123.02 1pma h VAL 152 Ca 0.02 -0.17 -0.02 0.00 -1.01 0.00 0.00 66.70 65.51 1pma h VAL 152 Cb 0.70 -0.03 0.00 0.00 -2.01 0.00 0.00 31.29 29.96 1pma h VAL 152 CO -0.30 0.09 -0.24 0.44 -1.01 0.00 0.00 177.57 176.55 1pma h ASP 153 N 0.51 -0.57 -0.70 3.17 5.19 -1.08 -1.38 116.42 121.55 1pma h ASP 153 Ca 0.63 -0.07 0.11 0.00 -0.62 0.00 0.00 57.03 57.09 1pma h ASP 153 Cb 1.35 0.15 -0.12 0.00 0.18 0.00 0.00 39.33 40.88 1pma h ASP 153 CO -0.41 -0.24 -0.38 0.25 -3.12 0.00 0.00 179.24 175.34 1pma h LEU 154 N -0.93 -1.34 -0.01 1.55 5.85 0.58 0.20 115.31 121.21 1pma h LEU 154 Ca -0.07 0.26 0.03 0.00 0.84 0.00 0.00 57.88 58.94 1pma h LEU 154 Cb 0.60 0.66 -0.06 0.00 0.37 0.00 0.00 40.66 42.24 1pma h LEU 154 CO 0.11 -0.31 -0.43 0.58 -0.34 0.00 0.00 178.44 178.06 1pma h VAL 155 N -0.13 0.14 -0.80 1.05 2.07 -0.78 0.29 116.25 118.08 1pma h VAL 155 Ca 0.25 0.00 0.16 0.00 0.82 0.00 0.00 66.70 67.92 1pma h VAL 155 Cb 0.56 0.14 -0.10 0.00 -1.52 0.00 0.00 31.29 30.37 1pma h VAL 155 CO -0.77 0.00 0.35 0.40 0.02 0.00 0.00 177.57 177.57 1pma h ILE 156 N -0.58 0.64 0.82 4.57 2.04 0.44 -0.56 117.51 124.88 1pma h ILE 156 Ca 0.04 -0.16 -0.04 0.00 1.00 0.00 0.00 64.86 65.70 1pma h ILE 156 Cb 0.66 0.12 0.01 0.00 -0.74 0.00 0.00 36.82 36.87 1pma h ILE 156 CO -0.32 0.09 -0.40 0.03 0.00 0.00 0.00 178.15 177.55 1pma h ARG 157 N 0.48 -1.07 -0.98 2.37 3.08 0.24 -0.92 114.38 117.59 1pma h ARG 157 Ca 0.45 0.07 0.16 0.00 0.07 0.00 0.00 59.98 60.73 1pma h ARG 157 Cb 0.71 0.24 -0.16 0.00 0.08 0.00 0.00 29.97 30.84 1pma h ARG 157 CO -0.42 -0.71 -0.36 0.00 -1.07 0.00 0.00 179.97 177.41 1pma n ALA 158 N -2.57 -0.08 -0.10 0.04 0.00 0.91 0.20 120.51 118.92 1pma n ALA 158 Ca -0.14 0.99 -0.11 0.00 0.00 0.00 0.00 53.44 54.18 1pma n ALA 158 Cb 0.44 -0.46 -0.03 0.00 0.00 0.00 0.00 19.45 19.39 1pma n ALA 158 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 1pma h ILE 159 N 0.00 1.23 -0.40 0.00 2.04 -1.11 -2.29 117.51 116.98 1pma h ILE 159 Ca 0.36 -0.80 0.12 0.00 1.00 0.00 0.00 64.86 65.53 1pma h ILE 159 Cb 0.60 1.19 -0.02 0.00 -0.74 0.00 0.00 36.82 37.85 1pma h ILE 159 CO -0.98 0.26 0.31 0.28 0.00 0.00 0.00 178.15 178.03 1pma h SER 160 N 0.31 0.00 0.01 1.72 0.02 0.12 0.50 113.55 116.23 1pma h SER 160 Ca 0.09 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 61.04 1pma h SER 160 Cb 0.34 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.88 1pma h SER 160 CO 0.01 0.00 -0.01 0.00 -1.14 0.00 0.00 176.83 175.69 1pma h ALA 161 N 1.75 -0.02 0.00 3.77 0.00 -0.33 -3.04 119.26 121.40 1pma h ALA 161 Ca 0.19 -0.25 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 1pma h ALA 161 Cb 0.81 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.60 1pma h ALA 161 CO -0.00 -0.25 -0.15 0.00 0.00 0.00 0.00 179.25 178.84 1pma h ALA 162 N 0.45 1.51 0.00 0.00 0.00 -0.07 0.93 119.26 122.08 1pma h ALA 162 Ca -0.00 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 54.73 1pma h ALA 162 Cb 0.51 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 1pma h ALA 162 CO 0.00 0.19 -0.21 0.87 0.00 0.00 0.00 179.25 180.10 1pma h LYS 163 N 0.00 0.00 0.05 0.00 1.57 -0.13 -2.09 116.57 115.98 1pma h LYS 163 Ca -0.00 0.00 -0.23 0.00 -1.87 0.00 0.00 60.65 58.55 1pma h LYS 163 Cb 0.32 0.00 0.02 0.00 0.08 0.00 0.00 32.23 32.65 1pma h LYS 163 CO 0.02 0.21 -0.92 1.96 -0.57 0.00 0.00 179.45 180.15 1pma h GLN 164 N 0.00 0.52 -0.29 3.15 1.08 -0.70 -3.35 115.11 115.52 1pma h GLN 164 Ca -0.00 -0.64 0.00 0.00 -1.45 0.00 0.00 58.65 56.56 1pma h GLN 164 Cb 0.50 0.20 0.00 0.00 -0.05 0.00 0.00 27.48 28.13 1pma h GLN 164 CO 0.03 1.25 0.00 0.54 -0.95 0.00 0.00 178.83 179.70 1pma n ARG 165 N -4.00 2.37 -3.69 1.46 3.00 -1.12 -4.86 116.66 109.81 1pma n ARG 165 Ca -0.12 -2.05 -0.29 0.00 -0.01 0.00 0.00 57.85 55.38 1pma n ARG 165 Cb 0.83 -1.49 -0.15 0.00 0.00 0.00 0.00 32.46 31.65 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 -1.60 3.57 0.64 0.55 2.15 -0.79 -5.00 116.67 116.19 1pma s ASP 166 Ca 0.36 -1.31 0.33 0.00 0.43 0.00 0.00 52.55 52.37 1pma s ASP 166 Cb 0.22 -0.67 1.82 0.00 -0.30 0.00 0.00 42.92 43.99 1pma s ASP 166 CO 0.31 -0.39 2.08 0.77 -0.17 0.00 0.00 175.17 177.77 1pma h SER 167 N 8.21 0.00 1.09 -0.34 4.64 -1.87 0.16 113.55 125.45 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 1.05 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.14 1pma h SER 167 CO 0.42 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 176.38 1pma n ALA 168 N -2.11 2.20 -2.65 5.18 0.00 -1.26 -4.80 120.51 117.07 1pma n ALA 168 Ca -0.00 -0.05 -0.30 0.00 0.00 0.00 0.00 53.44 53.08 1pma n ALA 168 Cb 0.31 -1.44 -0.09 0.00 0.00 0.00 0.00 19.45 18.23 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 -3.62 4.85 0.00 0.00 0.01 0.56 -0.28 113.70 115.21 1pma s SER 169 Ca 0.11 -0.21 0.00 0.00 1.31 0.00 0.00 55.95 57.17 1pma s SER 169 Cb 0.15 -1.11 0.00 0.00 0.21 0.00 0.00 66.02 65.27 1pma s SER 169 CO 0.52 0.19 0.00 0.61 0.41 0.00 0.00 173.24 174.97 1pma n GLY 170 N 0.76 -1.69 0.00 3.44 0.00 -1.26 -4.84 105.19 101.60 1pma n GLY 170 Ca -0.12 -1.10 0.00 0.00 0.00 0.00 0.00 46.02 44.80 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 -0.27 -1.46 3.67 -0.02 0.00 -1.26 -2.10 105.19 103.74 1pma n GLY 171 Ca 0.00 -1.55 -0.47 0.00 0.00 0.00 0.00 46.02 44.00 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 -1.62 2.18 -3.03 1.61 0.00 -1.26 -4.50 117.12 110.49 1pma n MET 172 Ca 0.00 0.79 -0.40 0.00 -0.00 0.00 0.00 57.70 58.09 1pma n MET 172 Cb 0.00 -2.59 -0.05 0.00 0.00 0.00 0.00 33.22 30.58 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 2.10 4.87 0.03 1.12 -1.16 -1.26 -3.73 121.20 123.18 1pma s ILE 173 Ca 0.84 1.52 0.06 0.00 -0.51 0.00 0.00 60.65 62.55 1pma s ILE 173 Cb -0.68 -4.07 -0.02 0.00 0.61 0.00 0.00 42.46 38.30 1pma s ILE 173 CO 0.43 0.33 -0.17 1.51 -2.81 0.00 0.00 174.94 174.23 1pma s ASP 174 N 0.25 1.97 0.08 4.50 1.47 -0.25 -4.87 116.67 119.82 1pma s ASP 174 Ca 0.37 -0.46 0.06 0.00 1.18 0.00 0.00 52.55 53.70 1pma s ASP 174 Cb -0.19 -0.15 -0.03 0.00 -0.34 0.00 0.00 42.92 42.20 1pma s ASP 174 CO 0.21 0.10 -0.16 0.54 0.68 0.00 0.00 175.17 176.54 1pma s VAL 175 N -0.77 1.26 -0.02 2.11 0.11 -1.26 -2.14 120.40 119.68 1pma s VAL 175 Ca 0.04 -1.37 0.02 0.00 -2.93 0.00 0.00 61.98 57.75 1pma s VAL 175 Cb -0.08 -1.19 0.00 0.00 -1.53 0.00 0.00 36.38 33.58 1pma s VAL 175 CO 0.01 -0.19 -0.07 0.00 -3.33 0.00 0.00 175.10 171.52 1pma s ALA 176 N -1.26 0.72 -0.06 1.54 0.00 -0.27 -0.88 121.76 121.55 1pma s ALA 176 Ca 0.00 -0.27 0.06 0.00 0.00 0.00 0.00 51.96 51.75 1pma s ALA 176 Cb -0.10 -0.27 -0.01 0.00 0.00 0.00 0.00 23.12 22.74 1pma s ALA 176 CO 0.03 0.12 -0.24 0.54 0.00 0.00 0.00 175.76 176.21 1pma s VAL 177 N 0.18 1.96 -0.11 0.00 0.11 0.63 -0.59 120.40 122.58 1pma s VAL 177 Ca -0.02 -1.01 0.02 0.00 -2.93 0.00 0.00 61.98 58.04 1pma s VAL 177 Cb -0.07 -1.67 0.01 0.00 -1.53 0.00 0.00 36.38 33.12 1pma s VAL 177 CO 0.00 0.55 -0.16 -0.51 -3.33 0.00 0.00 175.10 171.64 1pma s ILE 178 N -0.05 1.60 0.10 7.04 2.07 -0.08 -0.95 121.20 130.93 1pma s ILE 178 Ca -0.06 -0.70 0.04 0.00 -1.41 0.00 0.00 60.65 58.51 1pma s ILE 178 Cb -0.14 -1.45 -0.04 0.00 0.13 0.00 0.00 42.46 40.97 1pma s ILE 178 CO 0.04 0.46 -0.10 0.28 -1.91 0.00 0.00 174.94 173.71 1pma s THR 179 N 0.94 0.95 0.44 4.00 -1.32 -0.86 -2.16 115.64 117.64 1pma s THR 179 Ca -0.07 -1.68 0.20 0.00 -1.21 0.00 0.00 61.69 58.93 1pma s THR 179 Cb -0.15 -1.41 0.23 0.00 -1.51 0.00 0.00 72.50 69.66 1pma s THR 179 CO -0.01 -0.58 2.03 -0.09 -2.21 0.00 0.00 174.62 173.76 1pma h ARG 180 N 3.48 0.00 0.18 7.08 9.65 -1.87 0.59 114.38 133.49 1pma h ARG 180 Ca -0.37 0.00 -0.01 0.00 -1.10 0.00 0.00 59.98 58.50 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 0.54 0.15 -0.08 -0.22 2.80 0.00 0.00 179.97 183.16 1pma h LYS 181 N 0.00 -0.23 -0.01 0.20 1.63 -1.96 -3.38 116.57 112.83 1pma h LYS 181 Ca -0.00 0.02 0.00 0.00 -0.85 0.00 0.00 60.65 59.81 1pma h LYS 181 Cb 0.31 0.05 0.00 0.00 -0.60 0.00 0.00 32.23 32.00 1pma h LYS 181 CO 0.02 0.15 -0.38 -0.25 -3.45 0.00 0.00 179.45 175.54 1pma n ASP 182 N -5.01 1.11 0.00 4.20 8.00 -1.19 -5.11 116.55 118.55 1pma n ASP 182 Ca -0.09 -1.06 0.00 0.00 0.71 0.00 0.00 54.79 54.36 1pma n ASP 182 Cb 0.25 0.66 0.00 0.00 -0.02 0.00 0.00 41.12 42.01 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 1.11 -1.58 3.65 0.44 0.00 0.21 -4.69 105.19 104.31 1pma n GLY 183 Ca 0.04 -1.33 -0.43 0.00 0.00 0.00 0.00 46.02 44.30 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 3.07 -0.07 1.61 6.14 -1.20 -2.02 117.35 124.88 1pma s TYR 184 Ca 0.00 1.18 0.02 0.00 0.64 0.00 0.00 57.07 58.91 1pma s TYR 184 Cb 0.00 -3.58 0.01 0.00 0.42 0.00 0.00 41.96 38.81 1pma s TYR 184 CO 0.00 -1.02 -0.12 0.54 0.64 0.00 0.00 175.55 175.60 1pma s VAL 185 N 3.63 1.13 -0.34 3.14 0.11 -0.12 -4.98 120.40 122.95 1pma s VAL 185 Ca 0.48 -0.46 -0.15 0.00 -2.93 0.00 0.00 61.98 58.93 1pma s VAL 185 Cb -0.15 -1.04 -0.01 0.00 -1.53 0.00 0.00 36.38 33.64 1pma s VAL 185 CO 0.14 0.36 0.33 -1.58 -3.33 0.00 0.00 175.10 171.02 1pma s GLN 186 N 0.77 3.54 0.41 1.54 0.74 -1.26 -0.27 119.66 125.13 1pma s GLN 186 Ca -0.13 -0.48 -0.26 0.00 0.05 0.00 0.00 55.36 54.55 1pma s GLN 186 Cb -0.15 -3.81 -0.10 0.00 1.10 0.00 0.00 33.01 30.05 1pma s GLN 186 CO 0.02 -0.51 1.26 1.28 -0.55 0.00 0.00 175.29 176.80 1pma n LEU 187 N 5.32 3.91 -4.70 3.68 4.32 -0.06 -4.91 117.00 124.56 1pma n LEU 187 Ca -0.10 1.12 -0.42 0.00 -0.02 0.00 0.00 56.01 56.59 1pma n LEU 187 Cb 0.49 -1.49 -0.03 0.00 -1.62 0.00 0.00 43.42 40.77 1pma n LEU 187 CO 0.39 -0.65 1.27 -2.84 -1.22 0.00 0.00 177.39 174.34 1pma s PRO 188 N -2.16 4.22 0.19 3.23 0.02 -1.26 -4.72 135.00 134.52 1pma s PRO 188 Ca 0.60 2.29 -0.16 0.00 0.02 0.00 0.00 61.00 63.75 1pma s PRO 188 Cb -0.52 -3.45 0.18 0.00 0.02 0.00 0.00 34.50 30.73 1pma s PRO 188 CO 0.59 -0.67 1.34 -2.37 -0.33 0.00 0.00 177.00 175.55 1pma n THR 189 N 4.47 -0.47 -0.06 0.99 5.66 -1.26 -0.12 114.28 123.49 1pma n THR 189 Ca 0.15 2.03 -0.07 0.00 -3.05 0.00 0.00 64.05 63.10 1pma n THR 189 Cb 0.40 -2.66 -0.02 0.00 -1.55 0.00 0.00 70.33 66.51 1pma n THR 189 CO 0.00 0.00 0.00 -2.24 -3.05 0.00 0.00 175.07 169.78 1pma h ASP 190 N 0.00 -0.27 -0.96 1.09 3.04 -1.99 -1.26 116.42 116.07 1pma h ASP 190 Ca 0.28 0.08 0.12 0.00 -3.24 0.00 0.00 57.03 54.27 1pma h ASP 190 Cb 0.50 0.17 -0.08 0.00 -1.04 0.00 0.00 39.33 38.88 1pma h ASP 190 CO -0.85 -0.10 0.61 -0.61 -2.04 0.00 0.00 179.24 176.25 1pma h GLN 191 N -0.02 0.91 0.55 4.15 4.15 -0.91 0.21 115.11 124.15 1pma h GLN 191 Ca 0.12 -0.05 -0.03 0.00 0.77 0.00 0.00 58.65 59.46 1pma h GLN 191 Cb 0.21 -0.20 0.01 0.00 0.21 0.00 0.00 27.48 27.70 1pma h GLN 191 CO -0.27 0.60 -0.27 0.82 -1.93 0.00 0.00 178.83 177.78 1pma h ILE 192 N 0.93 0.21 -0.06 2.39 2.04 -0.66 -2.28 117.51 120.08 1pma h ILE 192 Ca 0.47 -0.43 0.02 0.00 1.00 0.00 0.00 64.86 65.91 1pma h ILE 192 Cb 0.49 0.30 -0.00 0.00 -0.74 0.00 0.00 36.82 36.87 1pma h ILE 192 CO -0.23 0.04 0.07 1.05 0.00 0.00 0.00 178.15 179.07 1pma h GLU 193 N -1.10 0.00 0.65 2.37 4.11 -0.81 -0.86 114.58 118.95 1pma h GLU 193 Ca -0.08 0.00 -0.03 0.00 0.07 0.00 0.00 59.36 59.32 1pma h GLU 193 Cb 0.63 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.88 1pma h GLU 193 CO 0.12 0.00 -0.31 1.03 0.07 0.00 0.00 179.01 179.92 1pma h SER 194 N 0.00 -0.74 -0.82 3.06 0.87 -0.46 -0.91 113.55 114.55 1pma h SER 194 Ca 0.03 -0.01 0.16 0.00 -1.23 0.00 0.00 61.79 60.73 1pma h SER 194 Cb 0.16 0.19 -0.06 0.00 -0.44 0.00 0.00 62.40 62.25 1pma h SER 194 CO -0.00 -0.44 0.54 0.03 -0.53 0.00 0.00 176.83 176.43 1pma h ARG 195 N -1.02 0.49 0.40 2.24 3.08 -0.60 0.20 114.38 119.17 1pma h ARG 195 Ca -0.09 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 59.92 1pma h ARG 195 Cb 0.71 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 30.63 1pma h ARG 195 CO 0.15 0.32 -0.39 0.82 -1.07 0.00 0.00 179.97 179.80 1pma h ILE 196 N 0.50 0.00 -0.50 2.04 2.04 -0.90 0.38 117.51 121.07 1pma h ILE 196 Ca 0.41 0.00 0.10 0.00 1.00 0.00 0.00 64.86 66.37 1pma h ILE 196 Cb 0.85 0.00 -0.09 0.00 -0.74 0.00 0.00 36.82 36.84 1pma h ILE 196 CO -0.16 0.00 -0.12 -0.09 0.00 0.00 0.00 178.15 177.78 1pma h ARG 197 N -0.79 -0.00 -0.59 2.37 2.43 0.36 -0.66 114.38 117.50 1pma h ARG 197 Ca -0.05 0.00 0.06 0.00 -0.81 0.00 0.00 59.98 59.18 1pma h ARG 197 Cb 0.68 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 30.18 1pma h ARG 197 CO -0.04 -0.00 0.29 -0.22 -1.51 0.00 0.00 179.97 178.49 1pma h LYS 198 N -0.00 0.53 0.00 0.20 3.64 -0.38 -1.28 116.57 119.29 1pma h LYS 198 Ca 0.24 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.59 1pma h LYS 198 Cb 0.36 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.06 1pma h LYS 198 CO -0.51 0.35 0.00 1.28 -2.27 0.00 0.00 179.45 178.30 1pma n LEU 199 N -4.87 0.00 -0.31 5.20 4.77 0.13 -4.85 117.00 117.07 1pma n LEU 199 Ca 0.07 0.33 -0.04 0.00 -0.03 0.00 0.00 56.01 56.34 1pma n LEU 199 Cb 0.18 -0.33 -0.02 0.00 -2.33 0.00 0.00 43.42 40.92 1pma n LEU 199 CO 0.27 -0.11 -0.04 0.61 -1.33 0.00 0.00 177.39 176.80 1pma n GLY 200 N 0.45 0.69 1.84 -0.72 0.00 -0.48 -5.03 105.19 101.93 1pma n GLY 200 Ca 0.09 -0.86 -0.13 0.00 0.00 0.00 0.00 46.02 45.12 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 -0.46 0.00 -3.99 0.99 4.32 -0.82 -5.02 117.00 112.02 1pma n LEU 201 Ca -0.04 -0.81 -0.09 0.00 -0.02 0.00 0.00 56.01 55.06 1pma n LEU 201 Cb 0.14 -0.42 -0.11 0.00 -1.62 0.00 0.00 43.42 41.41 1pma n LEU 201 CO 0.06 -0.87 -0.33 -0.51 -1.22 0.00 0.00 177.39 174.52 1pma s ILE 202 N -2.00 0.14 0.00 -0.08 2.07 -1.26 -4.64 121.20 115.42 1pma s ILE 202 Ca 0.34 -1.12 0.00 0.00 -1.41 0.00 0.00 60.65 58.46 1pma s ILE 202 Cb -0.01 -0.62 0.00 0.00 0.13 0.00 0.00 42.46 41.96 1pma s ILE 202 CO 0.24 -0.62 0.00 -0.11 -1.91 0.00 0.00 174.94 172.54