#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 0.22 0.07 1.09 -1.32 -1.26 0.51 115.64 114.94 1pma s THR 2 Ca 0.00 -0.35 0.00 0.00 -1.21 0.00 0.00 61.69 60.13 1pma s THR 2 Cb 0.00 -0.23 -0.04 0.00 -1.51 0.00 0.00 72.50 70.72 1pma s THR 2 CO 0.00 -0.09 -0.05 0.42 -2.21 0.00 0.00 174.62 172.69 1pma s THR 3 N -0.45 0.44 -0.17 5.08 -4.23 0.86 -2.75 115.64 114.42 1pma s THR 3 Ca -0.03 -1.73 -0.18 0.00 -1.18 0.00 0.00 61.69 58.57 1pma s THR 3 Cb -0.04 -1.41 0.05 0.00 1.34 0.00 0.00 72.50 72.44 1pma s THR 3 CO -0.00 -0.86 0.49 0.54 -0.54 0.00 0.00 174.62 174.25 1pma s VAL 4 N -3.39 0.00 -0.06 2.29 0.11 0.28 -0.90 120.40 118.73 1pma s VAL 4 Ca 0.06 -0.03 0.03 0.00 -2.93 0.00 0.00 61.98 59.11 1pma s VAL 4 Cb 0.04 -0.70 0.01 0.00 -1.53 0.00 0.00 36.38 34.19 1pma s VAL 4 CO -0.06 -0.02 -0.14 -0.83 -3.33 0.00 0.00 175.10 170.72 1pma s GLY 5 N 0.10 0.85 -0.01 6.54 0.00 -0.70 -0.82 107.32 113.27 1pma s GLY 5 Ca -0.01 -0.54 0.02 0.00 0.00 0.00 0.00 44.72 44.19 1pma s GLY 5 CO 0.01 -0.10 -0.08 -1.50 0.00 0.00 0.00 173.10 171.43 1pma s ILE 6 N 0.37 0.68 -0.04 0.90 2.07 0.60 -1.56 121.20 124.21 1pma s ILE 6 Ca -0.10 -0.34 -0.03 0.00 -1.41 0.00 0.00 60.65 58.78 1pma s ILE 6 Cb -0.14 -0.59 -0.04 0.00 0.13 0.00 0.00 42.46 41.83 1pma s ILE 6 CO 0.03 0.20 0.13 -0.89 -1.91 0.00 0.00 174.94 172.51 1pma s THR 7 N 0.00 5.15 -0.28 4.00 2.01 0.17 -0.66 115.64 126.03 1pma s THR 7 Ca 0.00 -0.17 -0.21 0.00 0.31 0.00 0.00 61.69 61.63 1pma s THR 7 Cb -0.06 -3.34 0.11 0.00 0.01 0.00 0.00 72.50 69.22 1pma s THR 7 CO -0.00 0.41 0.88 -1.48 -0.69 0.00 0.00 174.62 173.74 1pma s LEU 8 N -1.61 -0.63 0.00 4.42 0.05 -0.88 -4.88 118.68 115.14 1pma s LEU 8 Ca 0.22 1.11 0.00 0.00 0.05 0.00 0.00 54.13 55.52 1pma s LEU 8 Cb -0.12 2.08 0.00 0.00 -2.05 0.00 0.00 46.19 46.10 1pma s LEU 8 CO 0.13 -0.18 0.00 1.17 -0.55 0.00 0.00 176.35 176.91 1pma n LYS 9 N 3.14 0.00 -2.25 1.48 3.00 -1.26 -0.79 118.16 121.48 1pma n LYS 9 Ca -0.16 0.00 -0.18 0.00 -0.00 0.00 0.00 58.31 57.97 1pma n LYS 9 Cb 0.57 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 0.32 4.07 -3.63 3.14 8.00 -1.26 -4.80 116.55 122.39 1pma n ASP 10 Ca 0.00 -3.33 -0.04 0.00 0.71 0.00 0.00 54.79 52.13 1pma n ASP 10 Cb 0.00 -0.38 -0.01 0.00 -0.02 0.00 0.00 41.12 40.70 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 -3.63 -1.90 0.00 2.24 0.00 0.03 -4.51 121.76 113.99 1pma s ALA 11 Ca 0.45 0.72 0.02 0.00 0.00 0.00 0.00 51.96 53.15 1pma s ALA 11 Cb 0.39 0.40 -0.01 0.00 0.00 0.00 0.00 23.12 23.90 1pma s ALA 11 CO 0.01 -0.88 -0.06 0.54 0.00 0.00 0.00 175.76 175.36 1pma s VAL 12 N -2.91 0.50 0.08 0.00 0.11 -1.05 -2.08 120.40 115.05 1pma s VAL 12 Ca 0.10 -0.35 0.10 0.00 -2.93 0.00 0.00 61.98 58.90 1pma s VAL 12 Cb 0.00 -0.44 -0.03 0.00 -1.53 0.00 0.00 36.38 34.38 1pma s VAL 12 CO -0.03 0.09 -0.26 -0.63 -3.33 0.00 0.00 175.10 170.94 1pma s ILE 13 N -0.27 2.10 -0.01 7.04 1.01 0.16 -1.49 121.20 129.74 1pma s ILE 13 Ca 0.01 -1.53 -0.00 0.00 0.00 0.00 0.00 60.65 59.13 1pma s ILE 13 Cb -0.03 -1.83 0.02 0.00 0.01 0.00 0.00 42.46 40.62 1pma s ILE 13 CO -0.00 0.20 0.03 -0.04 0.00 0.00 0.00 174.94 175.13 1pma s MET 14 N -1.61 -0.01 0.06 2.79 -1.94 -0.24 -0.30 119.30 118.06 1pma s MET 14 Ca 0.12 0.11 -0.09 0.00 -1.71 0.00 0.00 55.69 54.12 1pma s MET 14 Cb -0.10 -0.12 0.00 0.00 2.01 0.00 0.00 34.83 36.62 1pma s MET 14 CO 0.04 -0.09 0.19 0.00 -0.01 0.00 0.00 175.02 175.15 1pma s ALA 15 N 0.57 -0.29 0.12 3.03 0.00 0.00 -0.41 121.76 124.78 1pma s ALA 15 Ca -0.05 -0.45 -0.15 0.00 0.00 0.00 0.00 51.96 51.31 1pma s ALA 15 Cb -0.07 0.39 0.03 0.00 0.00 0.00 0.00 23.12 23.47 1pma s ALA 15 CO -0.02 -0.44 0.37 0.95 0.00 0.00 0.00 175.76 176.62 1pma s THR 16 N -3.24 0.08 0.00 0.00 -4.23 -0.65 -0.56 115.64 107.04 1pma s THR 16 Ca 0.00 -0.69 0.00 0.00 -1.18 0.00 0.00 61.69 59.82 1pma s THR 16 Cb 0.02 -1.22 0.00 0.00 1.34 0.00 0.00 72.50 72.64 1pma s THR 16 CO -0.08 -0.36 0.00 -1.84 -0.54 0.00 0.00 174.62 171.80 1pma n GLU 17 N -0.20 1.70 -2.76 3.99 -0.00 -1.11 -1.09 120.64 121.17 1pma n GLU 17 Ca -0.16 0.00 -0.01 0.00 -0.00 0.00 0.00 57.16 56.99 1pma n GLU 17 Cb 0.63 0.00 0.08 0.00 -0.00 0.00 0.00 31.44 32.16 1pma n GLU 17 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.13 180.02 1pma n ARG 18 N -0.56 1.54 -3.39 3.44 1.85 -0.36 -4.70 116.66 114.47 1pma n ARG 18 Ca 0.00 -2.51 -0.38 0.00 -1.00 0.00 0.00 57.85 53.97 1pma n ARG 18 Cb 0.00 -0.71 -0.07 0.00 -1.05 0.00 0.00 32.46 30.63 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 -2.04 4.23 -0.21 2.89 3.52 -0.68 -0.84 118.95 125.83 1pma s ARG 19 Ca 0.20 0.26 -0.02 0.00 -0.13 0.00 0.00 55.73 56.03 1pma s ARG 19 Cb 0.38 -3.49 0.01 0.00 -1.56 0.00 0.00 34.95 30.28 1pma s ARG 19 CO -0.07 0.05 -0.10 0.54 -0.81 0.00 0.00 175.30 174.91 1pma s VAL 20 N 1.01 2.85 0.41 7.11 0.11 0.12 -4.65 120.40 127.36 1pma s VAL 20 Ca 0.21 -0.71 0.06 0.00 -2.93 0.00 0.00 61.98 58.61 1pma s VAL 20 Cb -0.15 -2.28 -0.07 0.00 -1.53 0.00 0.00 36.38 32.35 1pma s VAL 20 CO 0.08 0.44 0.02 0.28 -3.33 0.00 0.00 175.10 172.59 1pma s THR 21 N 1.40 1.74 -0.43 5.04 -1.32 -1.26 -0.78 115.64 120.01 1pma s THR 21 Ca 0.05 -2.00 0.02 0.00 -1.21 0.00 0.00 61.69 58.55 1pma s THR 21 Cb -0.14 -2.85 0.14 0.00 -1.51 0.00 0.00 72.50 68.13 1pma s THR 21 CO -0.07 0.00 0.24 -0.32 -2.21 0.00 0.00 174.62 172.26 1pma s MET 22 N -3.76 1.23 3.89 7.08 -2.45 0.23 -4.86 119.30 120.66 1pma s MET 22 Ca 0.31 -1.96 0.00 0.00 -1.25 0.00 0.00 55.69 52.80 1pma s MET 22 Cb 0.09 -2.26 0.00 0.00 1.25 0.00 0.00 34.83 33.91 1pma s MET 22 CO 0.16 -1.17 0.00 0.39 1.05 0.00 0.00 175.02 175.45 1pma n GLU 23 N 3.58 0.00 -0.00 4.11 1.02 -1.26 -0.89 120.64 127.19 1pma n GLU 23 Ca 0.09 0.00 0.06 0.00 -0.02 0.00 0.00 57.16 57.29 1pma n GLU 23 Cb 0.35 0.00 -0.09 0.00 -0.02 0.00 0.00 31.44 31.68 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 1.83 -4.55 1.62 6.94 -1.26 -4.87 115.26 122.30 1pma n ASN 24 Ca 0.00 -0.19 -0.38 0.00 -0.02 0.00 0.00 54.58 53.99 1pma n ASN 24 Cb 0.00 1.42 -0.03 0.00 -2.36 0.00 0.00 39.78 38.80 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 -2.66 2.12 -0.81 -2.53 5.36 -0.07 -4.92 117.98 114.47 1pma s PHE 25 Ca -0.02 0.05 -0.25 0.00 -0.96 0.00 0.00 56.93 55.75 1pma s PHE 25 Cb 0.08 -4.42 0.01 0.00 -0.34 0.00 0.00 43.02 38.35 1pma s PHE 25 CO 0.50 -2.03 1.57 -1.50 -1.46 0.00 0.00 175.22 172.29 1pma s ILE 26 N 7.09 3.64 0.01 3.12 -1.16 -1.26 -0.60 121.20 132.05 1pma s ILE 26 Ca 0.52 -0.07 -0.16 0.00 -0.51 0.00 0.00 60.65 60.43 1pma s ILE 26 Cb -0.07 -4.58 -0.35 0.00 0.61 0.00 0.00 42.46 38.07 1pma s ILE 26 CO 0.07 -1.52 0.95 -0.03 -2.81 0.00 0.00 174.94 171.60 1pma h MET 27 N 11.29 0.51 -4.59 3.50 1.85 -1.87 -3.45 114.93 122.17 1pma h MET 27 Ca -0.09 -0.87 -0.61 0.00 -0.61 0.00 0.00 59.70 57.52 1pma h MET 27 Cb 1.06 0.33 -0.37 0.00 0.43 0.00 0.00 31.60 33.04 1pma h MET 27 CO 1.29 1.42 -0.81 -1.01 -0.40 0.00 0.00 176.91 177.40 1pma s HIS 28 N -2.58 2.38 -0.06 1.39 3.76 0.04 -5.00 115.29 115.20 1pma s HIS 28 Ca -0.10 -1.54 0.17 0.00 -0.15 0.00 0.00 55.06 53.44 1pma s HIS 28 Cb 0.04 -1.63 0.27 0.00 1.11 0.00 0.00 32.58 32.37 1pma s HIS 28 CO 0.93 -0.73 1.54 0.87 -0.85 0.00 0.00 174.74 176.50 1pma h LYS 29 N 7.99 0.00 -2.59 1.40 1.57 -1.83 0.34 116.57 123.45 1pma h LYS 29 Ca -0.29 0.00 -0.60 0.00 -1.87 0.00 0.00 60.65 57.89 1pma h LYS 29 Cb 1.10 0.00 -0.41 0.00 0.08 0.00 0.00 32.23 33.00 1pma h LYS 29 CO 0.48 0.45 -0.72 0.09 -0.57 0.00 0.00 179.45 179.18 1pma n ASN 30 N -3.30 2.18 -4.95 0.86 4.13 -1.24 -4.21 115.26 108.73 1pma n ASN 30 Ca 0.01 -3.04 -0.20 0.00 1.68 0.00 0.00 54.58 53.03 1pma n ASN 30 Cb 0.66 -0.68 0.04 0.00 -1.54 0.00 0.00 39.78 38.26 1pma n ASN 30 CO 0.00 0.00 0.00 -0.83 0.28 0.00 0.00 177.26 176.71 1pma s GLY 31 N -1.39 1.84 -0.07 7.41 0.00 -0.02 -5.05 107.32 110.04 1pma s GLY 31 Ca 0.31 -1.63 0.05 0.00 0.00 0.00 0.00 44.72 43.46 1pma s GLY 31 CO -0.13 -1.31 -0.24 1.25 0.00 0.00 0.00 173.10 172.67 1pma s LYS 32 N -4.67 2.64 0.00 2.90 2.20 -1.26 -4.70 119.74 116.85 1pma s LYS 32 Ca 0.59 -0.86 0.00 0.00 -0.36 0.00 0.00 55.97 55.33 1pma s LYS 32 Cb -0.09 -2.14 0.00 0.00 -1.51 0.00 0.00 37.83 34.09 1pma s LYS 32 CO 0.38 0.29 0.09 1.63 -0.36 0.00 0.00 175.35 177.38 1pma n LYS 33 N 3.18 3.32 -4.30 4.03 5.02 -1.26 -4.98 118.16 123.17 1pma n LYS 33 Ca -0.18 -0.09 -0.34 0.00 -2.02 0.00 0.00 58.31 55.68 1pma n LYS 33 Cb 0.52 -0.48 -0.11 0.00 -0.02 0.00 0.00 35.03 34.95 1pma n LYS 33 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 1pma s LEU 34 N -1.00 3.46 -0.00 -0.35 2.96 -1.26 -1.58 118.68 120.91 1pma s LEU 34 Ca 0.00 -0.02 0.00 0.00 -0.22 0.00 0.00 54.13 53.89 1pma s LEU 34 Cb 0.00 -1.84 0.00 0.00 0.50 0.00 0.00 46.19 44.86 1pma s LEU 34 CO 0.00 0.22 0.00 -0.36 -1.32 0.00 0.00 176.35 174.89 1pma s PHE 35 N 0.09 0.01 0.16 5.38 0.08 -0.76 -5.01 117.98 117.92 1pma s PHE 35 Ca 0.01 0.01 -0.28 0.00 0.12 0.00 0.00 56.93 56.80 1pma s PHE 35 Cb -0.13 -0.03 -0.07 0.00 -0.57 0.00 0.00 43.02 42.21 1pma s PHE 35 CO 0.02 -0.01 0.87 -1.14 -0.10 0.00 0.00 175.22 174.86 1pma s GLN 36 N 0.13 4.68 0.00 0.44 0.74 -1.26 -0.99 119.66 123.40 1pma s GLN 36 Ca -0.01 1.32 0.00 0.00 0.05 0.00 0.00 55.36 56.72 1pma s GLN 36 Cb -0.02 -3.31 0.00 0.00 1.10 0.00 0.00 33.01 30.78 1pma s GLN 36 CO -0.00 0.42 0.00 1.51 -0.55 0.00 0.00 175.29 176.67 1pma n ILE 37 N 2.04 0.00 -3.59 -2.34 3.06 0.19 -4.92 119.36 113.80 1pma n ILE 37 Ca -0.02 -0.37 -0.06 0.00 -2.50 0.00 0.00 62.75 59.80 1pma n ILE 37 Cb 0.48 0.88 -0.03 0.00 0.54 0.00 0.00 39.64 41.52 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 -1.19 -0.19 0.20 9.51 2.15 -1.07 -4.70 116.67 121.39 1pma s ASP 38 Ca 0.00 0.09 0.02 0.00 0.43 0.00 0.00 52.55 53.09 1pma s ASP 38 Cb 0.00 0.18 0.50 0.00 -0.30 0.00 0.00 42.92 43.30 1pma s ASP 38 CO 0.00 -0.25 0.98 0.35 -0.17 0.00 0.00 175.17 176.08 1pma n THR 39 N 0.18 -0.26 -1.75 1.71 -2.24 -1.26 -0.24 114.28 110.41 1pma n THR 39 Ca -0.03 1.37 -0.07 0.00 -2.27 0.00 0.00 64.05 63.06 1pma n THR 39 Cb 0.59 -2.02 0.13 0.00 -2.10 0.00 0.00 70.33 66.93 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 -4.79 1.18 -3.68 4.78 4.01 -1.26 -2.85 117.16 114.55 1pma n TYR 40 Ca 0.15 -1.81 -0.15 0.00 -0.16 0.00 0.00 57.90 55.94 1pma n TYR 40 Cb 0.50 -0.32 -0.08 0.00 -0.31 0.00 0.00 39.34 39.14 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 -3.79 0.02 0.18 -0.72 -1.32 0.66 -1.97 115.64 108.70 1pma s THR 41 Ca 0.44 -0.20 0.04 0.00 -1.21 0.00 0.00 61.69 60.76 1pma s THR 41 Cb 0.39 -0.74 -0.05 0.00 -1.51 0.00 0.00 72.50 70.59 1pma s THR 41 CO -0.02 -0.11 -0.05 -0.83 -2.21 0.00 0.00 174.62 171.40 1pma s GLY 42 N -0.79 1.25 -0.08 6.08 0.00 -0.20 -0.64 107.32 112.94 1pma s GLY 42 Ca -0.09 -1.60 -0.05 0.00 0.00 0.00 0.00 44.72 42.99 1pma s GLY 42 CO 0.05 -1.61 0.19 -0.29 0.00 0.00 0.00 173.10 171.44 1pma s MET 43 N -3.81 0.17 -0.13 2.90 1.75 -0.16 -1.42 119.30 118.60 1pma s MET 43 Ca 0.22 0.38 -0.03 0.00 -1.25 0.00 0.00 55.69 55.00 1pma s MET 43 Cb 0.04 -0.06 -0.03 0.00 2.84 0.00 0.00 34.83 37.62 1pma s MET 43 CO 0.04 -0.12 -0.01 0.95 -0.65 0.00 0.00 175.02 175.23 1pma s THR 44 N 0.82 4.14 0.06 10.11 -4.23 0.60 -1.83 115.64 125.32 1pma s THR 44 Ca -0.06 -0.28 -0.05 0.00 -1.18 0.00 0.00 61.69 60.11 1pma s THR 44 Cb -0.08 -2.79 -0.05 0.00 1.34 0.00 0.00 72.50 70.92 1pma s THR 44 CO -0.05 0.53 0.30 -0.63 -0.54 0.00 0.00 174.62 174.24 1pma s ILE 45 N -0.12 5.26 -0.30 2.99 1.01 -0.62 -1.58 121.20 127.84 1pma s ILE 45 Ca 0.04 0.06 -0.11 0.00 0.00 0.00 0.00 60.65 60.63 1pma s ILE 45 Cb -0.13 -3.60 0.14 0.00 0.01 0.00 0.00 42.46 38.88 1pma s ILE 45 CO 0.02 0.22 0.76 0.00 0.00 0.00 0.00 174.94 175.95 1pma s ALA 46 N -1.45 -2.28 0.00 9.38 0.00 -0.41 -4.90 121.76 122.10 1pma s ALA 46 Ca 0.33 2.23 0.00 0.00 0.00 0.00 0.00 51.96 54.53 1pma s ALA 46 Cb -0.13 -1.88 0.00 0.00 0.00 0.00 0.00 23.12 21.11 1pma s ALA 46 CO 0.21 -0.95 0.00 0.41 0.00 0.00 0.00 175.76 175.43 1pma n GLY 47 N 5.30 0.63 3.62 0.00 0.00 -1.26 0.13 105.19 113.60 1pma n GLY 47 Ca -0.11 -1.56 -0.43 0.00 0.00 0.00 0.00 46.02 43.92 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 3.73 0.03 0.99 2.96 -0.75 -4.93 118.68 120.73 1pma s LEU 48 Ca 0.00 1.25 -0.07 0.00 -0.22 0.00 0.00 54.13 55.09 1pma s LEU 48 Cb 0.00 -3.53 -0.02 0.00 0.50 0.00 0.00 46.19 43.14 1pma s LEU 48 CO 0.00 -1.35 1.01 1.33 -1.32 0.00 0.00 176.35 176.02 1pma n VAL 49 N 6.73 -0.15 -0.37 1.68 0.24 -1.26 -1.07 118.33 124.14 1pma n VAL 49 Ca 0.18 1.53 -0.03 0.00 -2.04 0.00 0.00 64.34 63.99 1pma n VAL 49 Cb 0.47 -1.99 0.01 0.00 -1.47 0.00 0.00 33.84 30.86 1pma n VAL 49 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1pma n GLY 50 N -1.05 -2.07 0.11 7.63 0.00 -1.26 0.36 105.19 108.91 1pma n GLY 50 Ca 0.00 1.08 -0.10 0.00 0.00 0.00 0.00 46.02 47.01 1pma n GLY 50 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1pma h ASP 51 N 0.00 0.23 -0.10 1.61 3.32 -1.72 -1.68 116.42 118.08 1pma h ASP 51 Ca 0.30 -0.00 0.03 0.00 0.02 0.00 0.00 57.03 57.38 1pma h ASP 51 Cb 0.54 -0.06 -0.03 0.00 0.22 0.00 0.00 39.33 40.00 1pma h ASP 51 CO -0.94 0.17 -0.09 0.00 -1.72 0.00 0.00 179.24 176.66 1pma h ALA 52 N 1.08 -0.01 0.35 3.45 0.00 0.16 -1.25 119.26 123.05 1pma h ALA 52 Ca 0.08 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 1pma h ALA 52 Cb -0.03 0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1pma h ALA 52 CO -0.02 -0.55 -0.17 1.96 0.00 0.00 0.00 179.25 180.47 1pma h GLN 53 N -0.11 -0.46 -0.93 0.00 4.20 -0.01 -1.90 115.11 115.91 1pma h GLN 53 Ca 0.07 0.03 0.07 0.00 0.06 0.00 0.00 58.65 58.88 1pma h GLN 53 Cb 0.21 0.10 -0.06 0.00 0.30 0.00 0.00 27.48 28.03 1pma h GLN 53 CO -0.17 -0.31 0.60 -0.24 -0.67 0.00 0.00 178.83 178.05 1pma h VAL 54 N -0.48 1.07 -0.43 -0.54 3.04 -1.22 -0.23 116.25 117.46 1pma h VAL 54 Ca -0.05 -0.36 -0.02 0.00 -1.01 0.00 0.00 66.70 65.25 1pma h VAL 54 Cb 0.37 -0.09 -0.02 0.00 -2.01 0.00 0.00 31.29 29.54 1pma h VAL 54 CO 0.08 0.19 0.17 0.25 -1.01 0.00 0.00 177.57 177.25 1pma h LEU 55 N 1.06 0.55 -0.18 3.16 5.85 -0.95 -1.59 115.31 123.21 1pma h LEU 55 Ca 0.40 -0.06 -0.10 0.00 0.84 0.00 0.00 57.88 58.96 1pma h LEU 55 Cb 0.19 -0.14 -0.00 0.00 0.37 0.00 0.00 40.66 41.08 1pma h LEU 55 CO -0.15 0.50 -0.27 1.62 -0.34 0.00 0.00 178.44 179.81 1pma h VAL 56 N 0.61 1.34 -0.38 1.05 3.04 -0.25 -2.26 116.25 119.40 1pma h VAL 56 Ca 0.15 -1.48 0.06 0.00 -1.01 0.00 0.00 66.70 64.41 1pma h VAL 56 Cb 0.13 1.88 -0.05 0.00 -2.01 0.00 0.00 31.29 31.24 1pma h VAL 56 CO -0.01 0.45 0.08 0.03 -1.01 0.00 0.00 177.57 177.11 1pma h ARG 57 N 0.15 0.21 0.11 4.17 3.08 -0.92 0.25 114.38 121.42 1pma h ARG 57 Ca 0.02 -0.01 0.02 0.00 0.07 0.00 0.00 59.98 60.07 1pma h ARG 57 Cb 0.84 -0.05 -0.03 0.00 0.08 0.00 0.00 29.97 30.81 1pma h ARG 57 CO 0.06 0.14 -0.26 1.88 -1.07 0.00 0.00 179.97 180.72 1pma h TYR 58 N 0.21 -0.69 -0.91 3.04 -1.99 -1.29 -2.24 116.97 113.10 1pma h TYR 58 Ca 0.18 0.02 0.04 0.00 2.00 0.00 0.00 58.73 60.97 1pma h TYR 58 Cb 0.21 0.29 -0.05 0.00 2.00 0.00 0.00 36.73 39.18 1pma h TYR 58 CO -0.19 -0.36 0.60 1.98 -0.00 0.00 0.00 178.16 180.19 1pma h MET 59 N -0.46 1.09 0.57 4.88 4.05 -0.90 0.84 114.93 125.00 1pma h MET 59 Ca 0.03 -0.07 -0.03 0.00 -0.28 0.00 0.00 59.70 59.36 1pma h MET 59 Cb 0.49 -0.25 0.00 0.00 -0.80 0.00 0.00 31.60 31.05 1pma h MET 59 CO -0.16 0.72 -0.30 -0.22 0.23 0.00 0.00 176.91 177.19 1pma h LYS 60 N 1.12 -0.77 -0.08 0.39 3.64 -0.70 -1.46 116.57 118.72 1pma h LYS 60 Ca 0.37 0.05 0.02 0.00 -1.27 0.00 0.00 60.65 59.82 1pma h LYS 60 Cb 0.06 0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 32.03 1pma h LYS 60 CO -0.12 -0.51 -0.01 0.00 -2.27 0.00 0.00 179.45 176.54 1pma h ALA 61 N -1.56 0.06 -1.01 5.00 0.00 -1.31 -0.52 119.26 119.91 1pma h ALA 61 Ca -0.08 0.03 0.24 0.00 0.00 0.00 0.00 54.91 55.10 1pma h ALA 61 Cb 0.62 0.05 -0.11 0.00 0.00 0.00 0.00 17.79 18.36 1pma h ALA 61 CO 0.11 -0.48 0.63 1.49 0.00 0.00 0.00 179.25 181.00 1pma h GLU 62 N 0.01 0.52 -0.00 0.00 4.57 -0.84 -0.07 114.58 118.77 1pma h GLU 62 Ca 0.04 -0.03 -0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1pma h GLU 62 Cb 0.05 -0.12 0.00 0.00 -0.16 0.00 0.00 28.75 28.53 1pma h GLU 62 CO -0.08 0.34 -0.01 -0.07 -1.18 0.00 0.00 179.01 178.02 1pma h LEU 63 N 0.54 0.02 -0.50 1.64 4.07 -0.34 -2.90 115.31 117.83 1pma h LEU 63 Ca 0.61 -0.62 0.08 0.00 0.08 0.00 0.00 57.88 58.02 1pma h LEU 63 Cb 1.27 -0.00 -0.06 0.00 1.08 0.00 0.00 40.66 42.94 1pma h LEU 63 CO -0.38 0.64 0.14 -0.08 -1.08 0.00 0.00 178.44 177.68 1pma h GLU 64 N -0.61 0.28 -0.08 1.13 4.81 0.43 -2.03 114.58 118.52 1pma h GLU 64 Ca -0.00 -0.02 0.03 0.00 -0.13 0.00 0.00 59.36 59.24 1pma h GLU 64 Cb 0.64 -0.06 -0.03 0.00 0.63 0.00 0.00 28.75 29.92 1pma h GLU 64 CO 0.00 0.19 -0.12 1.25 -0.73 0.00 0.00 179.01 179.60 1pma h LEU 65 N 0.29 -0.36 -0.48 1.64 5.85 -1.15 -2.41 115.31 118.69 1pma h LEU 65 Ca 0.25 0.07 0.10 0.00 0.84 0.00 0.00 57.88 59.13 1pma h LEU 65 Cb 0.30 0.17 -0.09 0.00 0.37 0.00 0.00 40.66 41.41 1pma h LEU 65 CO -0.29 -0.16 -0.09 0.22 -0.34 0.00 0.00 178.44 177.78 1pma h TYR 66 N -0.16 -0.21 -0.43 1.25 5.03 -1.19 -0.67 116.97 120.59 1pma h TYR 66 Ca 0.07 0.04 0.06 0.00 2.58 0.00 0.00 58.73 61.48 1pma h TYR 66 Cb 0.26 0.17 -0.05 0.00 1.55 0.00 0.00 36.73 38.65 1pma h TYR 66 CO -0.21 -0.19 0.12 -0.09 -1.32 0.00 0.00 178.16 176.47 1pma h ARG 67 N 0.02 0.26 -0.34 1.82 2.43 -1.01 0.52 114.38 118.08 1pma h ARG 67 Ca 0.24 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.38 1pma h ARG 67 Cb 0.36 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 29.84 1pma h ARG 67 CO -0.48 0.17 0.17 -0.07 -1.51 0.00 0.00 179.97 178.26 1pma h LEU 68 N 0.27 0.44 -0.57 3.80 4.07 -0.92 0.27 115.31 122.67 1pma h LEU 68 Ca 0.21 -0.11 -0.15 0.00 0.08 0.00 0.00 57.88 57.90 1pma h LEU 68 Cb 0.23 -0.11 -0.01 0.00 1.08 0.00 0.00 40.66 41.85 1pma h LEU 68 CO -0.24 0.43 -0.55 1.56 -1.08 0.00 0.00 178.44 178.55 1pma h GLN 69 N 0.42 0.48 -0.01 1.13 4.20 -0.79 -3.29 115.11 117.24 1pma h GLN 69 Ca 0.12 -0.30 0.00 0.00 0.06 0.00 0.00 58.65 58.53 1pma h GLN 69 Cb 0.09 0.03 0.00 0.00 0.30 0.00 0.00 27.48 27.91 1pma h GLN 69 CO -0.02 0.90 -0.43 0.54 -0.67 0.00 0.00 178.83 179.16 1pma n ARG 70 N -3.95 1.36 -0.88 1.46 1.74 0.18 -4.98 116.66 111.60 1pma n ARG 70 Ca -0.03 -0.98 0.00 0.00 -0.77 0.00 0.00 57.85 56.07 1pma n ARG 70 Cb 0.60 -1.42 0.00 0.00 -1.02 0.00 0.00 32.46 30.61 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 -0.00 -1.12 -4.05 5.56 3.00 0.96 -4.93 116.66 116.08 1pma n ARG 71 Ca 0.09 0.28 -0.08 0.00 -0.00 0.00 0.00 57.85 58.13 1pma n ARG 71 Cb 0.44 -4.45 -0.09 0.00 0.00 0.00 0.00 32.46 28.35 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 -1.32 0.15 0.44 5.15 0.11 -1.21 -5.02 120.40 118.70 1pma s VAL 72 Ca 0.00 -1.67 -0.21 0.00 -2.93 0.00 0.00 61.98 57.17 1pma s VAL 72 Cb 0.00 -1.67 -0.10 0.00 -1.53 0.00 0.00 36.38 33.07 1pma s VAL 72 CO 0.00 -0.69 0.97 0.20 -3.33 0.00 0.00 175.10 172.25 1pma s ASN 73 N -2.95 6.82 0.11 3.54 -0.87 -1.26 -4.13 114.94 116.19 1pma s ASN 73 Ca 0.13 1.77 -0.30 0.00 -1.57 0.00 0.00 52.86 52.88 1pma s ASN 73 Cb 0.07 -2.55 -0.06 0.00 -0.02 0.00 0.00 41.25 38.68 1pma s ASN 73 CO -0.06 -0.44 1.16 -0.32 -2.57 0.00 0.00 177.10 174.87 1pma s MET 74 N -3.10 4.49 0.65 -0.60 -2.45 -1.26 -5.00 119.30 112.03 1pma s MET 74 Ca 0.62 1.76 -0.18 0.00 -1.25 0.00 0.00 55.69 56.64 1pma s MET 74 Cb -0.12 -3.32 -0.01 0.00 1.25 0.00 0.00 34.83 32.64 1pma s MET 74 CO 0.16 -0.14 1.26 -2.30 1.05 0.00 0.00 175.02 175.05 1pma n PRO 75 N 3.31 1.05 -0.02 4.11 -0.02 -1.26 -4.77 135.00 137.39 1pma n PRO 75 Ca 0.06 0.42 -0.11 0.00 -2.02 0.00 0.00 63.50 61.85 1pma n PRO 75 Cb 0.46 -2.49 -0.05 0.00 -0.02 0.00 0.00 33.50 31.40 1pma n PRO 75 CO 0.00 0.00 0.00 0.82 1.98 0.00 0.00 175.50 178.30 1pma h ILE 76 N 0.46 1.07 -0.47 4.25 1.08 -1.94 0.19 117.51 122.14 1pma h ILE 76 Ca -0.51 -0.18 0.06 0.00 -0.39 0.00 0.00 64.86 63.84 1pma h ILE 76 Cb 1.34 0.94 -0.03 0.00 -3.07 0.00 0.00 36.82 36.01 1pma h ILE 76 CO 0.52 0.06 0.31 -0.08 -0.69 0.00 0.00 178.15 178.28 1pma h GLU 77 N 0.15 0.40 0.48 2.37 4.81 -1.99 -0.51 114.58 120.29 1pma h GLU 77 Ca 0.05 -0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.23 1pma h GLU 77 Cb 0.03 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 29.33 1pma h GLU 77 CO -0.01 0.27 -0.23 0.00 -0.73 0.00 0.00 179.01 178.30 1pma h ALA 78 N 1.74 -0.65 -0.98 2.92 0.00 -1.48 -0.14 119.26 120.68 1pma h ALA 78 Ca 0.20 -0.18 0.09 0.00 0.00 0.00 0.00 54.91 55.02 1pma h ALA 78 Cb 0.28 0.25 -0.07 0.00 0.00 0.00 0.00 17.79 18.25 1pma h ALA 78 CO -0.05 -0.78 0.63 -0.24 0.00 0.00 0.00 179.25 178.81 1pma h VAL 79 N -0.81 1.02 0.32 0.00 3.04 -0.22 -0.67 116.25 118.92 1pma h VAL 79 Ca -0.07 -0.37 -0.01 0.00 -1.01 0.00 0.00 66.70 65.25 1pma h VAL 79 Cb 0.57 -0.15 -0.01 0.00 -2.01 0.00 0.00 31.29 29.69 1pma h VAL 79 CO 0.11 0.20 -0.22 0.00 -1.01 0.00 0.00 177.57 176.64 1pma h ALA 80 N 1.50 -0.52 -0.38 3.17 0.00 -0.76 -1.53 119.26 120.73 1pma h ALA 80 Ca 0.45 -0.10 0.08 0.00 0.00 0.00 0.00 54.91 55.34 1pma h ALA 80 Cb 0.31 0.28 -0.08 0.00 0.00 0.00 0.00 17.79 18.30 1pma h ALA 80 CO -0.20 -0.81 -0.12 1.15 0.00 0.00 0.00 179.25 179.27 1pma h THR 81 N -0.53 0.57 -0.16 0.00 2.02 -0.26 0.21 112.91 114.76 1pma h THR 81 Ca -0.03 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.20 1pma h THR 81 Cb 0.45 0.57 -0.06 0.00 -1.74 0.00 0.00 68.15 67.37 1pma h THR 81 CO 0.01 0.00 -0.27 0.25 0.37 0.00 0.00 175.52 175.88 1pma h LEU 82 N -0.03 -0.84 -0.27 2.58 5.85 -0.82 0.16 115.31 121.94 1pma h LEU 82 Ca 0.19 0.13 0.05 0.00 0.84 0.00 0.00 57.88 59.09 1pma h LEU 82 Cb 0.32 0.37 -0.05 0.00 0.37 0.00 0.00 40.66 41.67 1pma h LEU 82 CO -0.41 -0.31 -0.06 0.25 -0.34 0.00 0.00 178.44 177.56 1pma h LEU 83 N -0.33 -0.24 -0.44 2.25 5.85 -0.55 -0.76 115.31 121.09 1pma h LEU 83 Ca 0.11 0.08 0.09 0.00 0.84 0.00 0.00 57.88 59.00 1pma h LEU 83 Cb 0.49 0.16 -0.09 0.00 0.37 0.00 0.00 40.66 41.59 1pma h LEU 83 CO -0.34 -0.08 -0.21 -1.28 -0.34 0.00 0.00 178.44 176.19 1pma h SER 84 N 0.01 -0.72 -0.15 1.25 0.87 0.78 -1.09 113.55 114.50 1pma h SER 84 Ca 0.13 0.17 0.02 0.00 -1.23 0.00 0.00 61.79 60.87 1pma h SER 84 Cb 0.19 0.39 -0.02 0.00 -0.44 0.00 0.00 62.40 62.52 1pma h SER 84 CO -0.27 -0.24 0.04 0.78 -0.53 0.00 0.00 176.83 176.61 1pma h ASN 85 N -0.12 0.03 -0.09 6.23 4.21 0.41 -0.80 115.58 125.45 1pma h ASN 85 Ca 0.21 0.02 0.04 0.00 1.21 0.00 0.00 56.30 57.78 1pma h ASN 85 Cb 0.45 0.02 -0.05 0.00 -1.12 0.00 0.00 38.32 37.62 1pma h ASN 85 CO -0.52 0.04 -0.22 0.24 -1.29 0.00 0.00 177.43 175.68 1pma h MET 86 N 0.11 -0.29 -0.01 0.81 2.86 -0.44 -1.72 114.93 116.26 1pma h MET 86 Ca 0.07 0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.73 1pma h MET 86 Cb 0.05 0.07 -0.00 0.00 0.06 0.00 0.00 31.60 31.78 1pma h MET 86 CO -0.08 -0.19 0.00 -0.07 1.06 0.00 0.00 176.91 177.63 1pma h LEU 87 N -0.30 0.01 -0.78 1.22 4.07 -0.96 -3.12 115.31 115.44 1pma h LEU 87 Ca 0.09 -0.02 -0.04 0.00 0.08 0.00 0.00 57.88 57.99 1pma h LEU 87 Cb 0.43 -0.00 -0.04 0.00 1.08 0.00 0.00 40.66 42.13 1pma h LEU 87 CO -0.27 0.03 0.35 -1.13 -1.08 0.00 0.00 178.44 176.34 1pma h ASN 88 N -0.01 1.04 0.00 -0.43 -0.73 -1.07 -2.44 115.58 111.94 1pma h ASN 88 Ca 0.00 -0.15 0.00 0.00 1.87 0.00 0.00 56.30 58.02 1pma h ASN 88 Cb 0.02 -0.27 0.00 0.00 0.27 0.00 0.00 38.32 38.34 1pma h ASN 88 CO -0.00 0.90 0.36 -0.61 -0.37 0.00 0.00 177.43 177.71 1pma h GLN 89 N 1.11 0.00 -0.19 6.67 4.15 -1.25 -0.09 115.11 125.51 1pma h GLN 89 Ca 0.26 0.00 -0.19 0.00 0.77 0.00 0.00 58.65 59.50 1pma h GLN 89 Cb 0.16 0.00 -0.26 0.00 0.21 0.00 0.00 27.48 27.59 1pma h GLN 89 CO -0.03 0.00 -0.82 1.55 -1.93 0.00 0.00 178.83 177.60 1pma n VAL 90 N -2.81 1.42 -0.07 2.39 3.14 -0.93 -4.87 118.33 116.61 1pma n VAL 90 Ca -0.02 -2.65 0.20 0.00 -2.96 0.00 0.00 64.34 58.91 1pma n VAL 90 Cb 0.40 0.23 0.64 0.00 -1.06 0.00 0.00 33.84 34.06 1pma n VAL 90 CO 0.00 0.00 0.00 0.07 -6.46 0.00 0.00 176.83 170.44 1pma h LYS 91 N 1.45 0.12 -0.02 1.45 2.10 -0.87 -0.25 116.57 120.54 1pma h LYS 91 Ca -0.03 -0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.61 1pma h LYS 91 Cb 1.42 -0.03 0.00 0.00 -0.90 0.00 0.00 32.23 32.72 1pma h LYS 91 CO 0.19 0.08 0.00 0.66 -2.00 0.00 0.00 179.45 178.38 1pma n TYR 92 N -4.39 0.02 -2.71 0.07 4.01 -1.26 -3.53 117.16 109.38 1pma n TYR 92 Ca 0.12 -0.01 -0.07 0.00 -0.16 0.00 0.00 57.90 57.78 1pma n TYR 92 Cb 0.63 0.00 0.11 0.00 -0.31 0.00 0.00 39.34 39.78 1pma n TYR 92 CO 0.00 0.00 0.00 -1.33 -0.46 0.00 0.00 176.86 175.07 1pma n MET 93 N -0.65 1.17 -0.65 -0.72 2.81 -0.26 -5.15 117.12 113.66 1pma n MET 93 Ca 0.18 -1.85 -0.30 0.00 -1.81 0.00 0.00 57.70 53.91 1pma n MET 93 Cb 0.14 -0.21 0.16 0.00 -0.71 0.00 0.00 33.22 32.60 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 -0.44 -1.73 -3.44 0.03 -0.04 -0.29 -4.97 135.00 124.12 1pma n PRO 94 Ca -0.01 -0.49 -0.43 0.00 -0.04 0.00 0.00 63.50 62.52 1pma n PRO 94 Cb 0.83 -1.62 -0.08 0.00 -0.04 0.00 0.00 33.50 32.58 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 -2.19 3.26 -0.80 0.54 2.02 -1.26 -4.99 117.35 113.93 1pma s TYR 95 Ca 0.52 -0.98 -0.25 0.00 -0.37 0.00 0.00 57.07 55.98 1pma s TYR 95 Cb -0.09 -3.02 -0.04 0.00 -0.40 0.00 0.00 41.96 38.41 1pma s TYR 95 CO 0.60 -0.77 1.91 -1.64 -1.57 0.00 0.00 175.55 174.08 1pma s MET 96 N 1.61 2.60 0.18 -0.62 -1.94 -1.26 -4.66 119.30 115.21 1pma s MET 96 Ca 0.04 0.03 -0.23 0.00 -1.71 0.00 0.00 55.69 53.82 1pma s MET 96 Cb -0.23 -4.81 0.06 0.00 2.01 0.00 0.00 34.83 31.86 1pma s MET 96 CO 0.06 -3.12 0.65 0.54 -0.01 0.00 0.00 175.02 173.14 1pma s VAL 97 N 9.63 0.00 -0.12 -6.03 0.11 -1.26 -1.80 120.40 120.93 1pma s VAL 97 Ca 0.69 -0.27 -0.01 0.00 -2.93 0.00 0.00 61.98 59.46 1pma s VAL 97 Cb -0.09 -1.27 0.03 0.00 -1.53 0.00 0.00 36.38 33.52 1pma s VAL 97 CO 0.07 0.00 -0.02 -1.58 -3.33 0.00 0.00 175.10 170.24 1pma s GLN 98 N -3.75 0.99 0.01 1.54 0.74 0.36 -3.08 119.66 116.47 1pma s GLN 98 Ca 0.04 -0.17 0.05 0.00 0.05 0.00 0.00 55.36 55.33 1pma s GLN 98 Cb -0.02 -1.48 -0.03 0.00 1.10 0.00 0.00 33.01 32.58 1pma s GLN 98 CO -0.07 -0.37 -0.14 -0.51 -0.55 0.00 0.00 175.29 173.65 1pma s LEU 99 N 1.83 2.79 -0.07 3.68 1.43 -0.95 -1.28 118.68 126.11 1pma s LEU 99 Ca 0.03 -0.30 0.03 0.00 -1.03 0.00 0.00 54.13 52.86 1pma s LEU 99 Cb -0.14 -1.62 0.01 0.00 0.03 0.00 0.00 46.19 44.47 1pma s LEU 99 CO -0.07 0.28 -0.17 -0.22 0.23 0.00 0.00 176.35 176.40 1pma s LEU 100 N -1.30 1.84 -0.07 1.79 2.96 -0.61 -0.91 118.68 122.37 1pma s LEU 100 Ca 0.15 -0.39 0.01 0.00 -0.22 0.00 0.00 54.13 53.68 1pma s LEU 100 Cb -0.11 -1.04 0.02 0.00 0.50 0.00 0.00 46.19 45.56 1pma s LEU 100 CO 0.05 0.10 -0.08 0.54 -1.32 0.00 0.00 176.35 175.64 1pma s VAL 101 N 0.44 0.86 0.20 1.68 0.11 -0.44 -0.29 120.40 122.96 1pma s VAL 101 Ca -0.14 -0.27 0.08 0.00 -2.93 0.00 0.00 61.98 58.72 1pma s VAL 101 Cb -0.16 -0.85 -0.05 0.00 -1.53 0.00 0.00 36.38 33.80 1pma s VAL 101 CO 0.05 0.31 -0.16 -0.83 -3.33 0.00 0.00 175.10 171.14 1pma s GLY 102 N 1.08 1.45 0.00 6.54 0.00 -0.51 -0.51 107.32 115.38 1pma s GLY 102 Ca -0.08 -1.63 0.00 0.00 0.00 0.00 0.00 44.72 43.02 1pma s GLY 102 CO -0.01 -1.71 0.00 0.61 0.00 0.00 0.00 173.10 171.99 1pma n GLY 103 N -0.20 -0.45 2.65 0.20 0.00 -1.12 -1.04 105.19 105.23 1pma n GLY 103 Ca -0.09 -0.94 -0.26 0.00 0.00 0.00 0.00 46.02 44.73 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 0.06 0.00 -0.61 2.07 -0.83 -1.07 121.20 118.81 1pma s ILE 104 Ca 0.00 -0.19 0.00 0.00 -1.41 0.00 0.00 60.65 59.05 1pma s ILE 104 Cb 0.00 -0.63 0.00 0.00 0.13 0.00 0.00 42.46 41.96 1pma s ILE 104 CO 0.00 -0.21 0.00 -0.90 -1.91 0.00 0.00 174.94 171.92 1pma n ASP 105 N 5.23 0.00 0.18 4.50 5.68 -1.26 -4.83 116.55 126.04 1pma n ASP 105 Ca -0.07 0.00 0.14 0.00 -0.50 0.00 0.00 54.79 54.36 1pma n ASP 105 Cb 0.49 0.00 0.47 0.00 -1.14 0.00 0.00 41.12 40.94 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 -3.10 2.12 1.03 -2.02 -3.46 112.91 107.48 1pma h THR 106 Ca 0.00 -0.49 0.04 0.00 -0.01 0.00 0.00 66.41 65.95 1pma h THR 106 Cb 0.00 1.40 -0.05 0.00 -1.07 0.00 0.00 68.15 68.43 1pma h THR 106 CO 0.00 0.00 0.18 0.00 -0.01 0.00 0.00 175.52 175.69 1pma s ALA 107 N -3.34 -1.00 0.64 0.00 0.00 -1.26 -5.17 121.76 111.63 1pma s ALA 107 Ca 0.05 -0.45 -0.11 0.00 0.00 0.00 0.00 51.96 51.45 1pma s ALA 107 Cb 0.09 0.86 -0.03 0.00 0.00 0.00 0.00 23.12 24.05 1pma s ALA 107 CO 0.53 -1.01 1.04 -2.14 0.00 0.00 0.00 175.76 174.18 1pma s PRO 108 N -3.74 3.42 0.25 0.00 0.02 -1.26 -4.35 135.00 129.33 1pma s PRO 108 Ca 0.13 0.78 -0.17 0.00 0.02 0.00 0.00 61.00 61.76 1pma s PRO 108 Cb -0.05 -2.06 0.01 0.00 0.02 0.00 0.00 34.50 32.42 1pma s PRO 108 CO 0.08 -0.71 0.59 -1.01 -0.33 0.00 0.00 177.00 175.62 1pma s HIS 109 N -3.16 0.03 -0.30 6.54 3.76 -0.24 -4.93 115.29 116.99 1pma s HIS 109 Ca 0.56 -0.42 -0.13 0.00 -0.15 0.00 0.00 55.06 54.91 1pma s HIS 109 Cb -0.12 0.45 0.16 0.00 1.11 0.00 0.00 32.58 34.18 1pma s HIS 109 CO 0.54 -1.08 0.89 0.54 -0.85 0.00 0.00 174.74 174.78 1pma s VAL 110 N -3.94 -0.65 -0.01 -0.90 0.11 -1.26 -2.77 120.40 110.98 1pma s VAL 110 Ca 0.15 0.00 0.08 0.00 -2.93 0.00 0.00 61.98 59.27 1pma s VAL 110 Cb -0.03 -1.00 -0.02 0.00 -1.53 0.00 0.00 36.38 33.80 1pma s VAL 110 CO 0.05 0.00 -0.24 -0.36 -3.33 0.00 0.00 175.10 171.23 1pma s PHE 111 N 2.60 2.40 -0.22 1.54 0.40 0.33 -2.51 117.98 122.52 1pma s PHE 111 Ca -0.03 -0.38 -0.08 0.00 -0.60 0.00 0.00 56.93 55.84 1pma s PHE 111 Cb -0.08 -1.49 -0.04 0.00 0.51 0.00 0.00 43.02 41.92 1pma s PHE 111 CO -0.18 0.05 0.08 0.45 0.70 0.00 0.00 175.22 176.32 1pma s SER 112 N -0.82 5.44 -0.10 1.36 0.15 -0.16 -1.33 113.70 118.25 1pma s SER 112 Ca 0.11 -0.06 0.04 0.00 0.70 0.00 0.00 55.95 56.73 1pma s SER 112 Cb -0.10 -1.96 -0.00 0.00 -1.71 0.00 0.00 66.02 62.24 1pma s SER 112 CO 0.00 0.05 -0.22 -0.63 1.20 0.00 0.00 173.24 173.64 1pma s ILE 113 N 1.09 2.21 0.41 6.45 -1.09 -0.08 -1.99 121.20 128.21 1pma s ILE 113 Ca 0.05 -0.97 0.08 0.00 -2.23 0.00 0.00 60.65 57.58 1pma s ILE 113 Cb -0.14 -1.85 0.00 0.00 -1.58 0.00 0.00 42.46 38.89 1pma s ILE 113 CO 0.03 0.56 0.54 1.51 -1.23 0.00 0.00 174.94 176.35 1pma s ASP 114 N 0.29 5.60 0.27 3.58 1.47 -0.70 -2.23 116.67 124.94 1pma s ASP 114 Ca -0.16 -0.45 0.15 0.00 1.18 0.00 0.00 52.55 53.27 1pma s ASP 114 Cb -0.17 -0.69 0.80 0.00 -0.34 0.00 0.00 42.92 42.52 1pma s ASP 114 CO 0.08 -0.72 1.40 0.00 0.68 0.00 0.00 175.17 176.61 1pma n ALA 115 N -1.79 0.85 -0.36 2.11 0.00 -1.18 -0.51 120.51 119.63 1pma n ALA 115 Ca 0.07 0.14 0.10 0.00 0.00 0.00 0.00 53.44 53.74 1pma n ALA 115 Cb 0.59 -1.04 0.28 0.00 0.00 0.00 0.00 19.45 19.29 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 -1.64 2.42 -1.02 0.00 0.00 -1.26 -4.57 120.51 114.44 1pma n ALA 116 Ca -0.01 -1.32 -0.01 0.00 0.00 0.00 0.00 53.44 52.10 1pma n ALA 116 Cb 0.15 -0.79 -0.00 0.00 0.00 0.00 0.00 19.45 18.80 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 1.21 0.48 3.70 0.00 0.00 0.34 -3.93 105.19 107.00 1pma n GLY 117 Ca 0.21 -0.40 -0.42 0.00 0.00 0.00 0.00 46.02 45.40 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 -2.40 2.25 -0.10 -0.02 0.00 -1.26 -4.68 107.32 101.12 1pma s GLY 118 Ca 0.00 0.71 0.01 0.00 0.00 0.00 0.00 44.72 45.44 1pma s GLY 118 CO 0.00 2.13 -0.13 -0.45 0.00 0.00 0.00 173.10 174.65 1pma s SER 119 N 1.31 2.20 -0.02 1.64 0.15 -1.26 -1.72 113.70 116.00 1pma s SER 119 Ca 0.57 -0.37 -0.01 0.00 0.70 0.00 0.00 55.95 56.85 1pma s SER 119 Cb -0.26 -0.96 0.01 0.00 -1.71 0.00 0.00 66.02 63.09 1pma s SER 119 CO 0.25 -0.01 0.03 0.54 1.20 0.00 0.00 173.24 175.26 1pma s VAL 120 N 1.05 -0.02 -0.01 4.45 0.11 -0.84 -4.99 120.40 120.15 1pma s VAL 120 Ca -0.06 0.07 -0.08 0.00 -2.93 0.00 0.00 61.98 58.98 1pma s VAL 120 Cb -0.15 -0.06 -0.05 0.00 -1.53 0.00 0.00 36.38 34.59 1pma s VAL 120 CO -0.02 0.03 0.28 -0.70 -3.33 0.00 0.00 175.10 171.36 1pma s GLU 121 N 0.38 3.62 0.23 1.54 2.12 -1.26 -0.99 118.70 124.34 1pma s GLU 121 Ca -0.03 0.01 0.05 0.00 0.36 0.00 0.00 54.97 55.36 1pma s GLU 121 Cb -0.04 -3.11 -0.02 0.00 0.26 0.00 0.00 34.13 31.22 1pma s GLU 121 CO -0.01 0.67 0.18 -3.47 -0.54 0.00 0.00 175.26 172.09 1pma n ASP 122 N 1.35 -0.35 0.04 -1.70 2.03 -1.04 -5.01 116.55 111.87 1pma n ASP 122 Ca -0.13 -2.48 0.12 0.00 0.52 0.00 0.00 54.79 52.82 1pma n ASP 122 Cb 0.53 1.10 0.08 0.00 -0.72 0.00 0.00 41.12 42.11 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 -0.44 0.26 -3.56 5.18 -0.00 -1.26 -4.38 119.36 115.15 1pma n ILE 123 Ca 0.05 -0.27 -0.08 0.00 -0.00 0.00 0.00 62.75 62.45 1pma n ILE 123 Cb 0.41 0.05 -0.03 0.00 -0.00 0.00 0.00 39.64 40.07 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 -3.20 -0.27 -0.21 4.28 1.13 -1.26 -0.66 117.35 117.16 1pma s TYR 124 Ca 0.04 0.32 -0.29 0.00 -1.41 0.00 0.00 57.07 55.73 1pma s TYR 124 Cb 0.14 0.50 0.14 0.00 -1.10 0.00 0.00 41.96 41.63 1pma s TYR 124 CO 0.77 -0.34 1.08 0.00 -2.51 0.00 0.00 175.55 174.54 1pma s ALA 125 N -2.05 -1.98 0.36 9.51 0.00 -0.60 -5.02 121.76 121.98 1pma s ALA 125 Ca 0.04 1.69 0.08 0.00 0.00 0.00 0.00 51.96 53.78 1pma s ALA 125 Cb -0.01 -1.04 -0.05 0.00 0.00 0.00 0.00 23.12 22.02 1pma s ALA 125 CO -0.04 -0.27 0.11 0.45 0.00 0.00 0.00 175.76 176.01 1pma s SER 126 N -0.73 4.44 -0.06 0.00 0.15 -1.26 -1.72 113.70 114.51 1pma s SER 126 Ca 0.01 -0.94 -0.13 0.00 0.70 0.00 0.00 55.95 55.59 1pma s SER 126 Cb -0.02 -0.58 0.03 0.00 -1.71 0.00 0.00 66.02 63.73 1pma s SER 126 CO -0.02 -0.36 0.31 -0.89 1.20 0.00 0.00 173.24 173.48 1pma s THR 127 N -2.51 0.03 0.00 6.45 2.01 -0.08 -4.97 115.64 116.57 1pma s THR 127 Ca 0.38 -0.28 0.00 0.00 0.31 0.00 0.00 61.69 62.10 1pma s THR 127 Cb 0.00 -0.54 0.00 0.00 0.01 0.00 0.00 72.50 71.97 1pma s THR 127 CO 0.22 -0.15 0.00 0.61 -0.69 0.00 0.00 174.62 174.60 1pma n GLY 128 N 1.99 0.74 0.37 4.40 0.00 -1.26 -0.10 105.19 111.33 1pma n GLY 128 Ca -0.18 -2.25 0.12 0.00 0.00 0.00 0.00 46.02 43.71 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 0.71 -0.68 1.61 0.87 -0.35 -2.40 113.55 113.32 1pma h SER 129 Ca 0.00 0.05 0.00 0.00 -1.23 0.00 0.00 61.79 60.61 1pma h SER 129 Cb 0.00 -0.09 0.00 0.00 -0.44 0.00 0.00 62.40 61.87 1pma h SER 129 CO 0.00 0.34 0.00 0.61 -0.53 0.00 0.00 176.83 177.25 1pma n GLY 130 N -1.41 2.43 0.34 5.77 0.00 -1.23 -4.72 105.19 106.38 1pma n GLY 130 Ca 0.19 -0.79 0.08 0.00 0.00 0.00 0.00 46.02 45.50 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 4.07 -0.75 -0.26 1.61 0.02 -1.67 -1.90 113.55 114.66 1pma h SER 131 Ca 0.00 0.28 0.06 0.00 -0.84 0.00 0.00 61.79 61.29 1pma h SER 131 Cb 1.14 0.56 -0.06 0.00 0.14 0.00 0.00 62.40 64.17 1pma h SER 131 CO 0.09 -0.32 -0.14 -0.65 -1.14 0.00 0.00 176.83 174.66 1pma h PRO 132 N 0.01 -0.11 -0.24 3.45 0.11 -1.85 0.46 132.00 133.81 1pma h PRO 132 Ca 0.50 0.01 0.06 0.00 0.11 0.00 0.00 66.00 66.68 1pma h PRO 132 Cb 0.86 0.03 -0.07 0.00 0.11 0.00 0.00 31.00 31.93 1pma h PRO 132 CO -0.96 -0.08 -0.25 0.74 -0.21 0.00 0.00 178.00 177.24 1pma h PHE 133 N -0.12 -0.68 -0.49 0.65 0.04 -1.72 0.21 116.94 114.83 1pma h PHE 133 Ca 0.14 0.04 -0.09 0.00 2.80 0.00 0.00 57.97 60.86 1pma h PHE 133 Cb 0.33 0.33 -0.02 0.00 2.20 0.00 0.00 35.95 38.79 1pma h PHE 133 CO -0.32 -0.33 -0.07 -0.24 -0.60 0.00 0.00 178.31 176.75 1pma h VAL 134 N -0.26 1.26 -0.10 -0.55 3.04 -1.41 -0.27 116.25 117.97 1pma h VAL 134 Ca 0.14 -1.16 0.03 0.00 -1.01 0.00 0.00 66.70 64.70 1pma h VAL 134 Cb 0.47 0.95 -0.00 0.00 -2.01 0.00 0.00 31.29 30.70 1pma h VAL 134 CO -0.39 0.40 0.09 1.88 -1.01 0.00 0.00 177.57 178.54 1pma h TYR 135 N 0.80 0.00 0.26 3.17 0.05 0.25 0.30 116.97 121.80 1pma h TYR 135 Ca 0.14 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.91 1pma h TYR 135 Cb 0.57 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.32 1pma h TYR 135 CO 0.03 0.00 -0.13 0.78 -1.05 0.00 0.00 178.16 177.80 1pma h GLY 136 N 0.00 -0.37 1.45 3.88 0.00 0.12 -1.04 103.07 107.11 1pma h GLY 136 Ca 0.05 0.14 -0.02 0.00 0.00 0.00 0.00 47.33 47.49 1pma h GLY 136 CO -0.00 -0.13 0.25 -0.39 0.00 0.00 0.00 176.54 176.26 1pma h VAL 137 N -0.39 1.17 0.16 4.60 -1.51 -1.24 -1.25 116.25 117.80 1pma h VAL 137 Ca -0.04 -0.48 -0.01 0.00 -1.23 0.00 0.00 66.70 64.94 1pma h VAL 137 Cb 0.27 0.52 0.00 0.00 -2.13 0.00 0.00 31.29 29.95 1pma h VAL 137 CO 0.06 0.20 -0.08 -0.07 -1.23 0.00 0.00 177.57 176.45 1pma h LEU 138 N 0.72 -0.19 -2.53 4.19 4.07 -0.98 0.47 115.31 121.06 1pma h LEU 138 Ca 0.18 -0.12 0.01 0.00 0.08 0.00 0.00 57.88 58.03 1pma h LEU 138 Cb 0.07 0.05 -0.00 0.00 1.08 0.00 0.00 40.66 41.86 1pma h LEU 138 CO -0.02 0.01 0.13 -0.08 -1.08 0.00 0.00 178.44 177.39 1pma h GLU 139 N -0.38 0.00 0.13 1.13 4.57 -0.72 0.17 114.58 119.48 1pma h GLU 139 Ca -0.02 0.00 -0.36 0.00 -1.18 0.00 0.00 59.36 57.80 1pma h GLU 139 Cb 0.30 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.88 1pma h GLU 139 CO 0.04 0.00 -1.91 1.03 -1.18 0.00 0.00 179.01 176.99 1pma h SER 140 N 0.00 0.44 0.00 1.04 0.87 0.03 -3.43 113.55 112.50 1pma h SER 140 Ca 0.02 -0.88 0.00 0.00 -1.23 0.00 0.00 61.79 59.70 1pma h SER 140 Cb 0.27 -0.14 0.00 0.00 -0.44 0.00 0.00 62.40 62.09 1pma h SER 140 CO -0.00 1.78 -0.00 0.00 -0.53 0.00 0.00 176.83 178.07 1pma n GLN 141 N -3.48 1.97 -2.90 2.24 6.02 0.15 -5.05 117.38 116.32 1pma n GLN 141 Ca -0.29 -1.18 -0.40 0.00 -0.01 0.00 0.00 57.00 55.12 1pma n GLN 141 Cb 1.05 -0.84 -0.05 0.00 1.02 0.00 0.00 30.24 31.43 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 -0.68 3.74 -0.06 1.08 5.04 0.52 -5.02 117.35 121.97 1pma s TYR 142 Ca 0.00 1.56 -0.02 0.00 -2.44 0.00 0.00 57.07 56.17 1pma s TYR 142 Cb 0.00 -2.90 0.04 0.00 0.35 0.00 0.00 41.96 39.45 1pma s TYR 142 CO 0.00 0.22 0.12 0.45 -1.34 0.00 0.00 175.55 175.00 1pma s SER 143 N 0.09 0.10 0.28 4.32 0.15 -1.26 -4.98 113.70 112.41 1pma s SER 143 Ca 0.42 0.23 0.20 0.00 0.70 0.00 0.00 55.95 57.50 1pma s SER 143 Cb -0.21 0.12 1.05 0.00 -1.71 0.00 0.00 66.02 65.27 1pma s SER 143 CO 0.25 -0.16 1.62 -1.84 1.20 0.00 0.00 173.24 174.31 1pma n GLU 144 N 4.40 0.14 -0.26 5.44 -0.00 -1.26 -2.10 120.64 127.00 1pma n GLU 144 Ca -0.23 0.59 0.04 0.00 -0.00 0.00 0.00 57.16 57.55 1pma n GLU 144 Cb 0.51 -1.91 0.14 0.00 -0.00 0.00 0.00 31.44 30.19 1pma n GLU 144 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 1pma n LYS 145 N -2.19 2.12 -1.99 3.44 5.02 -1.26 -4.04 118.16 119.26 1pma n LYS 145 Ca -0.01 -1.14 -0.31 0.00 -2.02 0.00 0.00 58.31 54.84 1pma n LYS 145 Cb 0.07 -1.53 0.01 0.00 -0.02 0.00 0.00 35.03 33.55 1pma n LYS 145 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 1pma s MET 146 N -1.65 3.61 0.27 1.97 -1.94 -0.89 -5.07 119.30 115.59 1pma s MET 146 Ca 0.20 0.69 -0.06 0.00 -1.71 0.00 0.00 55.69 54.82 1pma s MET 146 Cb 0.13 -2.12 -0.06 0.00 2.01 0.00 0.00 34.83 34.80 1pma s MET 146 CO 0.09 -0.51 0.54 0.95 -0.01 0.00 0.00 175.02 176.08 1pma s THR 147 N -3.10 5.02 0.51 2.05 -4.23 -1.26 -4.74 115.64 109.89 1pma s THR 147 Ca 0.54 0.12 0.27 0.00 -1.18 0.00 0.00 61.69 61.45 1pma s THR 147 Cb -0.11 -3.70 0.45 0.00 1.34 0.00 0.00 72.50 70.48 1pma s THR 147 CO 0.52 -0.25 1.89 1.62 -0.54 0.00 0.00 174.62 177.86 1pma h VAL 148 N 1.52 0.60 0.01 2.29 3.04 -1.97 0.19 116.25 121.93 1pma h VAL 148 Ca -0.47 -0.04 -0.27 0.00 -1.01 0.00 0.00 66.70 64.91 1pma h VAL 148 Cb 1.18 0.49 0.02 0.00 -2.01 0.00 0.00 31.29 30.97 1pma h VAL 148 CO 0.67 0.02 -1.07 -0.78 -1.01 0.00 0.00 177.57 175.40 1pma h ASP 149 N 0.11 0.92 -0.73 3.17 1.82 -2.00 -1.49 116.42 118.21 1pma h ASP 149 Ca 0.42 -0.75 -0.03 0.00 -0.39 0.00 0.00 57.03 56.29 1pma h ASP 149 Cb 1.49 -0.28 -0.03 0.00 0.68 0.00 0.00 39.33 41.19 1pma h ASP 149 CO -0.05 1.55 0.36 -0.33 -1.61 0.00 0.00 179.24 179.15 1pma h GLU 150 N 0.39 1.05 0.07 0.28 5.08 -1.20 -3.05 114.58 117.20 1pma h GLU 150 Ca -0.14 -0.15 0.01 0.00 -1.00 0.00 0.00 59.36 58.08 1pma h GLU 150 Cb 1.72 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 30.76 1pma h GLU 150 CO 0.21 0.82 -0.28 0.78 -1.00 0.00 0.00 179.01 179.54 1pma h GLY 151 N 1.02 -1.19 -0.93 -3.84 0.00 -0.59 -1.01 103.07 96.54 1pma h GLY 151 Ca 0.25 0.58 0.41 0.00 0.00 0.00 0.00 47.33 48.57 1pma h GLY 151 CO -0.03 -0.36 0.89 -0.24 0.00 0.00 0.00 176.54 176.80 1pma h VAL 152 N -0.40 0.23 0.35 4.60 3.04 -1.19 0.24 116.25 123.12 1pma h VAL 152 Ca -0.00 -0.04 -0.02 0.00 -1.01 0.00 0.00 66.70 65.63 1pma h VAL 152 Cb 0.40 0.09 0.00 0.00 -2.01 0.00 0.00 31.29 29.78 1pma h VAL 152 CO -0.15 0.02 -0.17 0.44 -1.01 0.00 0.00 177.57 176.70 1pma h ASP 153 N 0.12 -0.40 -0.76 3.17 5.19 -1.18 -2.22 116.42 120.34 1pma h ASP 153 Ca 0.75 -0.15 0.12 0.00 -0.62 0.00 0.00 57.03 57.14 1pma h ASP 153 Cb 2.48 0.10 -0.13 0.00 0.18 0.00 0.00 39.33 41.96 1pma h ASP 153 CO -0.28 0.01 -0.36 0.25 -3.12 0.00 0.00 179.24 175.74 1pma h LEU 154 N -0.91 -1.29 0.30 1.55 5.85 0.67 0.12 115.31 121.60 1pma h LEU 154 Ca -0.05 0.26 0.00 0.00 0.84 0.00 0.00 57.88 58.94 1pma h LEU 154 Cb 0.53 0.66 -0.02 0.00 0.37 0.00 0.00 40.66 42.19 1pma h LEU 154 CO 0.08 -0.30 -0.31 0.58 -0.34 0.00 0.00 178.44 178.15 1pma h VAL 155 N -0.10 0.34 -0.72 1.05 2.07 -1.33 0.19 116.25 117.75 1pma h VAL 155 Ca 0.28 0.00 0.15 0.00 0.82 0.00 0.00 66.70 67.95 1pma h VAL 155 Cb 0.57 0.34 -0.10 0.00 -1.52 0.00 0.00 31.29 30.58 1pma h VAL 155 CO -0.81 0.00 0.22 0.40 0.02 0.00 0.00 177.57 177.40 1pma h ILE 156 N -0.65 0.58 0.80 4.57 2.04 -0.38 0.26 117.51 124.73 1pma h ILE 156 Ca -0.01 -0.11 -0.04 0.00 1.00 0.00 0.00 64.86 65.70 1pma h ILE 156 Cb 0.60 0.22 0.00 0.00 -0.74 0.00 0.00 36.82 36.90 1pma h ILE 156 CO -0.07 0.06 -0.46 0.03 0.00 0.00 0.00 178.15 177.71 1pma h ARG 157 N 0.33 -1.12 -0.60 2.37 3.08 -0.28 0.22 114.38 118.39 1pma h ARG 157 Ca 0.40 0.08 0.08 0.00 0.07 0.00 0.00 59.98 60.61 1pma h ARG 157 Cb 0.65 0.26 -0.11 0.00 0.08 0.00 0.00 29.97 30.85 1pma h ARG 157 CO -0.45 -0.75 -0.47 0.00 -1.07 0.00 0.00 179.97 177.23 1pma h ALA 158 N -1.29 -0.42 -0.93 0.04 0.00 0.81 0.53 119.26 118.01 1pma h ALA 158 Ca -0.11 0.10 0.07 0.00 0.00 0.00 0.00 54.91 54.97 1pma h ALA 158 Cb 0.92 1.03 -0.07 0.00 0.00 0.00 0.00 17.79 19.68 1pma h ALA 158 CO 0.13 -0.88 0.58 0.82 0.00 0.00 0.00 179.25 179.91 1pma h ILE 159 N -0.23 1.03 -0.28 0.00 2.04 -0.33 0.27 117.51 120.01 1pma h ILE 159 Ca 0.16 -0.35 -0.02 0.00 1.00 0.00 0.00 64.86 65.65 1pma h ILE 159 Cb 0.56 -0.09 -0.01 0.00 -0.74 0.00 0.00 36.82 36.53 1pma h ILE 159 CO -0.71 0.19 0.10 0.28 0.00 0.00 0.00 178.15 178.01 1pma h SER 160 N 1.03 0.35 0.37 1.72 0.02 0.33 -0.97 113.55 116.40 1pma h SER 160 Ca 0.41 -0.03 -0.02 0.00 -0.84 0.00 0.00 61.79 61.32 1pma h SER 160 Cb 0.23 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 62.69 1pma h SER 160 CO -0.19 0.33 -0.18 0.00 -1.14 0.00 0.00 176.83 175.65 1pma h ALA 161 N 1.73 -0.50 -0.97 3.77 0.00 0.12 -2.89 119.26 120.52 1pma h ALA 161 Ca 0.10 -0.18 0.19 0.00 0.00 0.00 0.00 54.91 55.01 1pma h ALA 161 Cb 0.10 0.19 -0.09 0.00 0.00 0.00 0.00 17.79 17.99 1pma h ALA 161 CO -0.01 -0.63 0.61 0.00 0.00 0.00 0.00 179.25 179.22 1pma h ALA 162 N -0.32 1.84 -0.12 0.00 0.00 -0.92 1.01 119.26 120.76 1pma h ALA 162 Ca -0.05 0.05 0.01 0.00 0.00 0.00 0.00 54.91 54.92 1pma h ALA 162 Cb 0.53 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 1pma h ALA 162 CO 0.08 -0.17 0.08 0.87 0.00 0.00 0.00 179.25 180.11 1pma h LYS 163 N 0.67 0.13 -0.09 0.00 1.57 -1.09 0.37 116.57 118.13 1pma h LYS 163 Ca 0.53 -0.01 -0.07 0.00 -1.87 0.00 0.00 60.65 59.23 1pma h LYS 163 Cb 0.95 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.23 1pma h LYS 163 CO -0.30 0.08 -0.24 1.96 -0.57 0.00 0.00 179.45 180.39 1pma h GLN 164 N 0.13 0.31 -0.11 3.15 1.08 0.13 -3.32 115.11 116.48 1pma h GLN 164 Ca 0.05 -0.22 0.00 0.00 -1.45 0.00 0.00 58.65 57.02 1pma h GLN 164 Cb 0.03 0.04 0.00 0.00 -0.05 0.00 0.00 27.48 27.49 1pma h GLN 164 CO -0.01 0.84 0.00 0.54 -0.95 0.00 0.00 178.83 179.25 1pma n ARG 165 N -4.50 1.96 -3.77 1.46 3.00 -1.05 -4.78 116.66 108.97 1pma n ARG 165 Ca -0.08 -1.42 -0.29 0.00 -0.01 0.00 0.00 57.85 56.05 1pma n ARG 165 Cb 0.44 -1.46 -0.15 0.00 0.00 0.00 0.00 32.46 31.29 1pma n ARG 165 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.63 177.97 1pma s ASP 166 N -1.81 3.80 0.64 0.55 2.15 0.10 -4.99 116.67 117.11 1pma s ASP 166 Ca 0.34 -1.43 0.37 0.00 0.43 0.00 0.00 52.55 52.26 1pma s ASP 166 Cb 0.20 -0.88 2.05 0.00 -0.30 0.00 0.00 42.92 43.98 1pma s ASP 166 CO 0.31 -0.37 2.21 0.77 -0.17 0.00 0.00 175.17 177.92 1pma h SER 167 N 8.08 0.00 1.48 -0.34 4.64 -1.86 -0.56 113.55 125.00 1pma h SER 167 Ca -0.14 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.18 1pma h SER 167 Cb 1.04 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.13 1pma h SER 167 CO 0.44 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 176.40 1pma h ALA 168 N 1.81 1.00 -3.13 5.18 0.00 -1.94 -3.45 119.26 118.74 1pma h ALA 168 Ca 0.02 0.00 -0.63 0.00 0.00 0.00 0.00 54.91 54.30 1pma h ALA 168 Cb 0.24 0.00 -0.10 0.00 0.00 0.00 0.00 17.79 17.93 1pma h ALA 168 CO -0.00 0.00 -0.62 -1.12 0.00 0.00 0.00 179.25 177.51 1pma s SER 169 N -5.31 5.30 0.00 0.00 0.01 -0.22 -0.59 113.70 112.90 1pma s SER 169 Ca 0.07 -0.12 0.00 0.00 1.31 0.00 0.00 55.95 57.21 1pma s SER 169 Cb 0.09 -1.34 0.00 0.00 0.21 0.00 0.00 66.02 64.97 1pma s SER 169 CO 0.59 0.15 0.00 0.61 0.41 0.00 0.00 173.24 174.99 1pma n GLY 170 N 0.30 -1.58 4.24 3.44 0.00 -1.26 -4.84 105.19 105.49 1pma n GLY 170 Ca -0.09 -1.06 0.00 0.00 0.00 0.00 0.00 46.02 44.87 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 -0.21 -2.19 3.74 -0.02 0.00 -1.26 -1.23 105.19 104.03 1pma n GLY 171 Ca 0.00 -1.49 -0.42 0.00 0.00 0.00 0.00 46.02 44.11 1pma n GLY 171 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1pma s MET 172 N -0.38 4.17 -0.05 1.61 -2.45 -1.26 -4.57 119.30 116.37 1pma s MET 172 Ca 0.00 2.48 -0.15 0.00 -1.25 0.00 0.00 55.69 56.76 1pma s MET 172 Cb 0.00 -3.07 -0.05 0.00 1.25 0.00 0.00 34.83 32.96 1pma s MET 172 CO 0.00 -0.59 0.41 -1.50 1.05 0.00 0.00 175.02 174.39 1pma s ILE 173 N 0.35 5.11 0.03 10.11 -1.16 -1.26 -2.96 121.20 131.42 1pma s ILE 173 Ca 0.65 0.82 0.04 0.00 -0.51 0.00 0.00 60.65 61.65 1pma s ILE 173 Cb -0.46 -3.73 -0.02 0.00 0.61 0.00 0.00 42.46 38.87 1pma s ILE 173 CO 0.42 0.49 -0.11 1.51 -2.81 0.00 0.00 174.94 174.43 1pma s ASP 174 N -0.42 1.32 0.12 4.50 1.47 -0.25 -4.90 116.67 118.50 1pma s ASP 174 Ca 0.23 -0.43 0.06 0.00 1.18 0.00 0.00 52.55 53.59 1pma s ASP 174 Cb -0.16 -0.06 -0.04 0.00 -0.34 0.00 0.00 42.92 42.32 1pma s ASP 174 CO 0.11 -0.02 -0.15 0.54 0.68 0.00 0.00 175.17 176.33 1pma s VAL 175 N -0.88 1.37 -0.02 2.11 0.11 -1.26 -1.64 120.40 120.18 1pma s VAL 175 Ca -0.01 -1.68 0.01 0.00 -2.93 0.00 0.00 61.98 57.37 1pma s VAL 175 Cb -0.08 -1.51 0.01 0.00 -1.53 0.00 0.00 36.38 33.28 1pma s VAL 175 CO 0.01 -0.37 -0.04 0.00 -3.33 0.00 0.00 175.10 171.37 1pma s ALA 176 N -1.99 0.51 -0.08 1.54 0.00 0.45 -2.09 121.76 120.11 1pma s ALA 176 Ca 0.08 -0.09 0.04 0.00 0.00 0.00 0.00 51.96 51.99 1pma s ALA 176 Cb -0.06 -0.27 -0.01 0.00 0.00 0.00 0.00 23.12 22.78 1pma s ALA 176 CO 0.03 0.04 -0.20 0.54 0.00 0.00 0.00 175.76 176.17 1pma s VAL 177 N 0.47 2.50 -0.15 0.00 0.11 0.54 -1.08 120.40 122.81 1pma s VAL 177 Ca -0.06 -0.89 0.01 0.00 -2.93 0.00 0.00 61.98 58.11 1pma s VAL 177 Cb -0.09 -1.97 0.02 0.00 -1.53 0.00 0.00 36.38 32.81 1pma s VAL 177 CO -0.00 0.56 -0.16 -0.51 -3.33 0.00 0.00 175.10 171.66 1pma s ILE 178 N -0.11 1.71 0.17 7.04 2.07 -0.56 -0.91 121.20 130.61 1pma s ILE 178 Ca -0.04 -0.73 0.07 0.00 -1.41 0.00 0.00 60.65 58.54 1pma s ILE 178 Cb -0.14 -1.57 -0.04 0.00 0.13 0.00 0.00 42.46 40.83 1pma s ILE 178 CO 0.04 0.48 -0.14 0.28 -1.91 0.00 0.00 174.94 173.69 1pma s THR 179 N 1.31 1.52 0.34 4.00 -1.32 -0.86 -2.54 115.64 118.09 1pma s THR 179 Ca 0.02 -2.01 0.04 0.00 -1.21 0.00 0.00 61.69 58.53 1pma s THR 179 Cb -0.13 -1.84 0.17 0.00 -1.51 0.00 0.00 72.50 69.18 1pma s THR 179 CO -0.09 -0.54 1.89 -0.09 -2.21 0.00 0.00 174.62 173.57 1pma h ARG 180 N 2.95 0.56 0.58 7.08 9.65 -1.87 0.42 114.38 133.74 1pma h ARG 180 Ca -0.39 -0.11 -0.03 0.00 -1.10 0.00 0.00 59.98 58.36 1pma h ARG 180 Cb 1.21 -0.09 0.00 0.00 -1.39 0.00 0.00 29.97 29.70 1pma h ARG 180 CO 0.58 0.56 -0.30 -0.22 2.80 0.00 0.00 179.97 183.38 1pma h LYS 181 N 0.54 -0.78 0.00 0.20 1.63 -1.96 -3.34 116.57 112.87 1pma h LYS 181 Ca 0.12 0.05 0.00 0.00 -0.85 0.00 0.00 60.65 59.97 1pma h LYS 181 Cb 0.29 0.18 0.00 0.00 -0.60 0.00 0.00 32.23 32.10 1pma h LYS 181 CO 0.01 -0.52 -1.10 -0.25 -3.45 0.00 0.00 179.45 174.14 1pma n ASP 182 N -4.27 0.71 0.00 4.20 8.00 -1.23 -5.09 116.55 118.88 1pma n ASP 182 Ca -0.10 -0.60 0.00 0.00 0.71 0.00 0.00 54.79 54.80 1pma n ASP 182 Cb 0.32 1.02 0.00 0.00 -0.02 0.00 0.00 41.12 42.45 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 1.44 -1.69 3.66 0.44 0.00 0.15 -4.76 105.19 104.42 1pma n GLY 183 Ca 0.03 -1.52 -0.43 0.00 0.00 0.00 0.00 46.02 44.10 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 2.83 -0.06 1.61 6.14 -1.13 -2.04 117.35 124.70 1pma s TYR 184 Ca 0.00 1.00 0.01 0.00 0.64 0.00 0.00 57.07 58.72 1pma s TYR 184 Cb 0.00 -3.54 0.02 0.00 0.42 0.00 0.00 41.96 38.86 1pma s TYR 184 CO 0.00 -1.69 -0.06 0.54 0.64 0.00 0.00 175.55 174.98 1pma s VAL 185 N 3.60 0.71 -0.22 3.14 0.11 -0.09 -4.99 120.40 122.65 1pma s VAL 185 Ca 0.55 -0.20 -0.10 0.00 -2.93 0.00 0.00 61.98 59.30 1pma s VAL 185 Cb -0.21 -0.72 -0.05 0.00 -1.53 0.00 0.00 36.38 33.88 1pma s VAL 185 CO 0.15 0.27 0.14 -1.58 -3.33 0.00 0.00 175.10 170.75 1pma s GLN 186 N 1.04 4.09 0.49 1.54 0.74 -1.26 -0.34 119.66 125.97 1pma s GLN 186 Ca -0.09 -0.26 -0.22 0.00 0.05 0.00 0.00 55.36 54.84 1pma s GLN 186 Cb -0.14 -3.47 -0.06 0.00 1.10 0.00 0.00 33.01 30.44 1pma s GLN 186 CO -0.00 0.15 1.21 -0.51 -0.55 0.00 0.00 175.29 175.59 1pma s LEU 187 N 0.78 3.93 0.13 3.68 1.02 -0.89 -4.97 118.68 122.36 1pma s LEU 187 Ca 0.07 2.41 -0.31 0.00 0.02 0.00 0.00 54.13 56.32 1pma s LEU 187 Cb -0.13 -4.30 -0.09 0.00 0.02 0.00 0.00 46.19 41.69 1pma s LEU 187 CO 0.02 -1.13 1.63 -2.84 0.02 0.00 0.00 176.35 174.05 1pma s PRO 188 N -2.83 4.20 0.24 1.29 0.02 -1.26 -4.80 135.00 131.85 1pma s PRO 188 Ca 0.67 2.39 -0.13 0.00 0.02 0.00 0.00 61.00 63.95 1pma s PRO 188 Cb -0.31 -3.37 0.32 0.00 0.02 0.00 0.00 34.50 31.16 1pma s PRO 188 CO 0.37 -0.69 1.49 -2.37 -0.33 0.00 0.00 177.00 175.47 1pma n THR 189 N 4.34 -0.46 -0.15 0.99 5.66 -1.26 0.12 114.28 123.52 1pma n THR 189 Ca 0.15 2.22 -0.06 0.00 -3.05 0.00 0.00 64.05 63.31 1pma n THR 189 Cb 0.39 -2.99 0.03 0.00 -1.55 0.00 0.00 70.33 66.20 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 0.46 -0.90 1.09 3.04 -1.99 -1.57 116.42 116.54 1pma h ASP 190 Ca 0.38 0.00 0.11 0.00 -3.24 0.00 0.00 57.03 54.29 1pma h ASP 190 Cb 0.62 -0.09 -0.07 0.00 -1.04 0.00 0.00 39.33 38.75 1pma h ASP 190 CO -0.97 0.32 0.58 -0.61 -2.04 0.00 0.00 179.24 176.53 1pma h GLN 191 N 0.56 0.82 0.39 4.15 4.15 -0.69 0.11 115.11 124.60 1pma h GLN 191 Ca 0.19 -0.05 -0.02 0.00 0.77 0.00 0.00 58.65 59.54 1pma h GLN 191 Cb 0.01 -0.19 0.00 0.00 0.21 0.00 0.00 27.48 27.52 1pma h GLN 191 CO -0.08 0.54 -0.19 0.82 -1.93 0.00 0.00 178.83 178.00 1pma h ILE 192 N 0.85 0.48 -0.39 2.39 2.04 -0.59 -2.42 117.51 119.86 1pma h ILE 192 Ca 0.43 -0.60 0.10 0.00 1.00 0.00 0.00 64.86 65.78 1pma h ILE 192 Cb 0.48 0.72 -0.02 0.00 -0.74 0.00 0.00 36.82 37.26 1pma h ILE 192 CO -0.19 0.09 0.28 1.05 0.00 0.00 0.00 178.15 179.38 1pma h GLU 193 N -0.92 0.08 0.69 2.37 4.11 -0.79 -0.63 114.58 119.48 1pma h GLU 193 Ca -0.05 -0.01 -0.03 0.00 0.07 0.00 0.00 59.36 59.34 1pma h GLU 193 Cb 0.54 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.77 1pma h GLU 193 CO 0.09 0.06 -0.41 1.03 0.07 0.00 0.00 179.01 179.84 1pma h SER 194 N 0.09 -1.03 -1.01 3.06 0.87 -0.71 -0.04 113.55 114.78 1pma h SER 194 Ca 0.18 0.05 0.24 0.00 -1.23 0.00 0.00 61.79 61.03 1pma h SER 194 Cb 0.62 0.30 -0.10 0.00 -0.44 0.00 0.00 62.40 62.78 1pma h SER 194 CO -0.02 -0.64 0.63 0.03 -0.53 0.00 0.00 176.83 176.30 1pma h ARG 195 N -1.02 0.52 0.36 2.24 3.08 -0.65 0.92 114.38 119.83 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 0.82 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 30.73 1pma h ARG 195 CO 0.10 0.35 -0.30 0.82 -1.07 0.00 0.00 179.97 179.87 1pma h ILE 196 N 0.54 0.38 0.27 2.04 2.04 -0.37 0.36 117.51 122.75 1pma h ILE 196 Ca 0.59 0.00 0.01 0.00 1.00 0.00 0.00 64.86 66.46 1pma h ILE 196 Cb 1.25 0.38 -0.03 0.00 -0.74 0.00 0.00 36.82 37.67 1pma h ILE 196 CO -0.35 0.00 -0.42 -0.09 0.00 0.00 0.00 178.15 177.29 1pma h ARG 197 N -0.67 -0.72 -0.93 2.37 2.43 0.68 -1.85 114.38 115.69 1pma h ARG 197 Ca -0.03 0.05 0.21 0.00 -0.81 0.00 0.00 59.98 59.40 1pma h ARG 197 Cb 0.59 0.16 -0.12 0.00 -0.42 0.00 0.00 29.97 30.18 1pma h ARG 197 CO -0.02 -0.48 0.48 -0.22 -1.51 0.00 0.00 179.97 178.21 1pma h LYS 198 N -0.75 0.51 0.00 0.20 3.64 -0.62 0.83 116.57 120.37 1pma h LYS 198 Ca -0.01 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 1pma h LYS 198 Cb 0.72 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.42 1pma h LYS 198 CO -0.15 0.33 0.00 1.28 -2.27 0.00 0.00 179.45 178.64 1pma n LEU 199 N -4.95 0.00 0.00 5.20 4.77 0.12 -4.88 117.00 117.26 1pma n LEU 199 Ca 0.23 0.48 0.00 0.00 -0.03 0.00 0.00 56.01 56.69 1pma n LEU 199 Cb 0.64 -0.48 0.00 0.00 -2.33 0.00 0.00 43.42 41.24 1pma n LEU 199 CO 0.16 -0.11 0.00 0.61 -1.33 0.00 0.00 177.39 176.72 1pma n GLY 200 N 0.79 0.44 3.99 -0.72 0.00 0.28 -5.05 105.19 104.93 1pma n GLY 200 Ca 0.06 -0.88 -0.24 0.00 0.00 0.00 0.00 46.02 44.96 1pma n GLY 200 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1pma s LEU 201 N 0.00 2.91 0.06 0.99 1.02 -0.75 -5.04 118.68 117.87 1pma s LEU 201 Ca 0.00 -0.42 0.03 0.00 0.02 0.00 0.00 54.13 53.76 1pma s LEU 201 Cb 0.00 -1.79 -0.03 0.00 0.02 0.00 0.00 46.19 44.39 1pma s LEU 201 CO 0.00 -2.07 -0.08 -0.51 0.02 0.00 0.00 176.35 173.70 1pma s ILE 202 N -3.26 0.65 0.00 -0.59 2.07 -1.26 -4.53 121.20 114.28 1pma s ILE 202 Ca 0.69 -1.27 0.00 0.00 -1.41 0.00 0.00 60.65 58.65 1pma s ILE 202 Cb -0.04 -0.87 0.00 0.00 0.13 0.00 0.00 42.46 41.68 1pma s ILE 202 CO 0.46 -0.45 0.00 -0.11 -1.91 0.00 0.00 174.94 172.93