#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pma s THR 2 N 0.00 -0.02 0.30 1.09 -1.32 -1.26 0.50 115.64 114.92 1pma s THR 2 Ca 0.00 0.08 0.05 0.00 -1.21 0.00 0.00 61.69 60.61 1pma s THR 2 Cb 0.00 -0.56 -0.06 0.00 -1.51 0.00 0.00 72.50 70.36 1pma s THR 2 CO 0.00 0.03 -0.00 0.42 -2.21 0.00 0.00 174.62 172.86 1pma s THR 3 N 1.12 1.43 -0.28 5.08 -4.23 -0.16 -2.86 115.64 115.73 1pma s THR 3 Ca -0.07 -2.06 -0.19 0.00 -1.18 0.00 0.00 61.69 58.19 1pma s THR 3 Cb -0.07 -2.61 0.10 0.00 1.34 0.00 0.00 72.50 71.26 1pma s THR 3 CO -0.09 -0.17 0.83 0.54 -0.54 0.00 0.00 174.62 175.19 1pma s VAL 4 N -3.14 0.00 0.03 2.29 0.11 -0.22 -1.61 120.40 117.86 1pma s VAL 4 Ca 0.32 0.00 0.07 0.00 -2.93 0.00 0.00 61.98 59.45 1pma s VAL 4 Cb 0.06 -1.00 -0.03 0.00 -1.53 0.00 0.00 36.38 33.88 1pma s VAL 4 CO 0.13 0.00 -0.20 -0.83 -3.33 0.00 0.00 175.10 170.87 1pma s GLY 5 N 1.13 1.51 0.01 6.54 0.00 -0.71 -1.27 107.32 114.53 1pma s GLY 5 Ca -0.06 -1.20 -0.00 0.00 0.00 0.00 0.00 44.72 43.46 1pma s GLY 5 CO -0.13 -1.08 -0.00 -1.50 0.00 0.00 0.00 173.10 170.39 1pma s ILE 6 N -0.87 0.04 -0.04 0.90 2.07 0.54 -1.85 121.20 121.99 1pma s ILE 6 Ca 0.13 -0.30 0.02 0.00 -1.41 0.00 0.00 60.65 59.09 1pma s ILE 6 Cb -0.10 -0.10 -0.03 0.00 0.13 0.00 0.00 42.46 42.36 1pma s ILE 6 CO 0.04 -0.17 -0.06 -0.89 -1.91 0.00 0.00 174.94 171.95 1pma s THR 7 N -0.48 3.71 -0.28 4.00 2.01 -0.35 -1.56 115.64 122.69 1pma s THR 7 Ca -0.05 -0.58 -0.22 0.00 0.31 0.00 0.00 61.69 61.15 1pma s THR 7 Cb -0.03 -2.55 0.10 0.00 0.01 0.00 0.00 72.50 70.02 1pma s THR 7 CO -0.00 0.53 0.83 -1.48 -0.69 0.00 0.00 174.62 173.80 1pma s LEU 8 N -1.03 -0.68 0.00 4.42 0.05 -1.07 -4.87 118.68 115.50 1pma s LEU 8 Ca 0.14 1.23 0.00 0.00 0.05 0.00 0.00 54.13 55.55 1pma s LEU 8 Cb -0.11 2.21 0.00 0.00 -2.05 0.00 0.00 46.19 46.24 1pma s LEU 8 CO 0.04 -0.21 0.00 1.17 -0.55 0.00 0.00 176.35 176.80 1pma n LYS 9 N 3.01 0.00 -2.30 1.48 3.00 -1.26 -1.06 118.16 121.03 1pma n LYS 9 Ca -0.15 0.00 -0.16 0.00 -0.00 0.00 0.00 58.31 57.99 1pma n LYS 9 Cb 0.56 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 1.35 3.81 -3.71 3.14 8.00 -1.26 -4.81 116.55 123.08 1pma n ASP 10 Ca 0.00 -3.19 -0.07 0.00 0.71 0.00 0.00 54.79 52.25 1pma n ASP 10 Cb 0.00 -0.39 -0.02 0.00 -0.02 0.00 0.00 41.12 40.69 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 -3.66 -1.52 0.00 2.24 0.00 -0.23 -4.45 121.76 114.14 1pma s ALA 11 Ca 0.43 0.15 0.01 0.00 0.00 0.00 0.00 51.96 52.54 1pma s ALA 11 Cb 0.38 0.72 -0.00 0.00 0.00 0.00 0.00 23.12 24.22 1pma s ALA 11 CO 0.01 -0.95 -0.03 0.54 0.00 0.00 0.00 175.76 175.33 1pma s VAL 12 N -3.55 0.22 0.03 0.00 0.11 -0.81 -2.59 120.40 113.81 1pma s VAL 12 Ca 0.09 -0.17 0.08 0.00 -2.93 0.00 0.00 61.98 59.05 1pma s VAL 12 Cb -0.03 -0.20 -0.02 0.00 -1.53 0.00 0.00 36.38 34.60 1pma s VAL 12 CO 0.00 0.03 -0.22 -0.63 -3.33 0.00 0.00 175.10 170.95 1pma s ILE 13 N -0.15 1.79 0.03 7.04 1.01 -0.60 -0.62 121.20 129.71 1pma s ILE 13 Ca 0.00 -1.21 0.01 0.00 0.00 0.00 0.00 60.65 59.46 1pma s ILE 13 Cb -0.02 -1.54 -0.02 0.00 0.01 0.00 0.00 42.46 40.89 1pma s ILE 13 CO -0.00 0.29 -0.05 -0.04 0.00 0.00 0.00 174.94 175.13 1pma s MET 14 N -1.09 0.44 0.15 2.79 -1.94 -0.26 -0.34 119.30 119.05 1pma s MET 14 Ca 0.09 -0.72 -0.23 0.00 -1.71 0.00 0.00 55.69 53.12 1pma s MET 14 Cb -0.09 -0.09 0.07 0.00 2.01 0.00 0.00 34.83 36.73 1pma s MET 14 CO 0.01 -0.00 0.59 0.00 -0.01 0.00 0.00 175.02 175.61 1pma s ALA 15 N -1.56 -1.55 0.14 3.03 0.00 -0.39 -1.10 121.76 120.32 1pma s ALA 15 Ca -0.12 0.47 -0.16 0.00 0.00 0.00 0.00 51.96 52.16 1pma s ALA 15 Cb -0.09 0.85 0.03 0.00 0.00 0.00 0.00 23.12 23.91 1pma s ALA 15 CO -0.01 -0.75 0.41 0.95 0.00 0.00 0.00 175.76 176.36 1pma s THR 16 N -3.69 0.06 0.00 0.00 -4.23 -0.76 -1.05 115.64 105.97 1pma s THR 16 Ca 0.01 -0.66 0.00 0.00 -1.18 0.00 0.00 61.69 59.86 1pma s THR 16 Cb -0.01 -1.27 0.00 0.00 1.34 0.00 0.00 72.50 72.56 1pma s THR 16 CO -0.12 -0.29 0.00 -1.84 -0.54 0.00 0.00 174.62 171.83 1pma n GLU 17 N -0.24 2.62 -1.68 3.99 -0.00 -1.14 -1.14 120.64 123.05 1pma n GLU 17 Ca -0.15 0.00 -0.04 0.00 -0.00 0.00 0.00 57.16 56.98 1pma n GLU 17 Cb 0.63 0.00 0.01 0.00 -0.00 0.00 0.00 31.44 32.08 1pma n GLU 17 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.13 180.02 1pma n ARG 18 N 0.00 0.52 -3.30 3.44 1.85 -0.91 -4.61 116.66 113.65 1pma n ARG 18 Ca 0.00 -1.38 -0.38 0.00 -1.00 0.00 0.00 57.85 55.09 1pma n ARG 18 Cb 0.00 0.26 -0.06 0.00 -1.05 0.00 0.00 32.46 31.61 1pma n ARG 18 CO 0.00 0.00 0.00 0.50 -0.01 0.00 0.00 177.63 178.12 1pma s ARG 19 N -0.25 4.34 -0.19 2.89 3.52 -0.98 0.20 118.95 128.48 1pma s ARG 19 Ca 0.09 0.46 -0.01 0.00 -0.13 0.00 0.00 55.73 56.14 1pma s ARG 19 Cb 0.20 -3.44 0.00 0.00 -1.56 0.00 0.00 34.95 30.16 1pma s ARG 19 CO -0.06 0.15 -0.12 0.54 -0.81 0.00 0.00 175.30 174.99 1pma s VAL 20 N 0.65 2.79 0.15 7.11 0.11 -0.22 -4.61 120.40 126.39 1pma s VAL 20 Ca 0.26 -0.70 0.07 0.00 -2.93 0.00 0.00 61.98 58.68 1pma s VAL 20 Cb -0.15 -2.22 -0.04 0.00 -1.53 0.00 0.00 36.38 32.44 1pma s VAL 20 CO 0.11 0.49 -0.16 0.28 -3.33 0.00 0.00 175.10 172.48 1pma s THR 21 N 1.18 1.63 -0.56 5.04 -1.32 -1.26 -1.50 115.64 118.85 1pma s THR 21 Ca 0.02 -1.87 0.01 0.00 -1.21 0.00 0.00 61.69 58.63 1pma s THR 21 Cb -0.14 -1.75 0.14 0.00 -1.51 0.00 0.00 72.50 69.24 1pma s THR 21 CO -0.05 -0.38 0.34 -0.32 -2.21 0.00 0.00 174.62 172.00 1pma s MET 22 N -2.84 2.23 6.16 7.08 -2.45 -0.04 -4.91 119.30 124.54 1pma s MET 22 Ca 0.14 -2.58 0.00 0.00 -1.25 0.00 0.00 55.69 52.00 1pma s MET 22 Cb -0.05 -3.50 0.00 0.00 1.25 0.00 0.00 34.83 32.53 1pma s MET 22 CO 0.05 -1.13 0.00 0.39 1.05 0.00 0.00 175.02 175.38 1pma n GLU 23 N 3.28 0.00 -0.00 4.11 1.02 -1.26 -1.44 120.64 126.35 1pma n GLU 23 Ca 0.06 0.00 0.11 0.00 -0.02 0.00 0.00 57.16 57.31 1pma n GLU 23 Cb 0.35 0.00 -0.14 0.00 -0.02 0.00 0.00 31.44 31.63 1pma n GLU 23 CO 0.00 0.00 0.00 0.27 1.18 0.00 0.00 177.13 178.58 1pma n ASN 24 N 10.60 0.39 -4.56 1.62 6.94 -1.26 -4.79 115.26 124.20 1pma n ASN 24 Ca 0.00 -0.34 -0.38 0.00 -0.02 0.00 0.00 54.58 53.83 1pma n ASN 24 Cb 0.00 1.56 -0.03 0.00 -2.36 0.00 0.00 39.78 38.95 1pma n ASN 24 CO 0.00 0.00 0.00 0.12 -1.03 0.00 0.00 177.26 176.35 1pma s PHE 25 N -3.32 2.22 -0.73 -2.53 2.19 -0.52 -4.93 117.98 110.36 1pma s PHE 25 Ca -0.02 -0.15 -0.26 0.00 0.33 0.00 0.00 56.93 56.83 1pma s PHE 25 Cb 0.15 -4.49 0.01 0.00 -1.31 0.00 0.00 43.02 37.38 1pma s PHE 25 CO 0.89 -2.00 1.51 -1.50 1.83 0.00 0.00 175.22 175.95 1pma s ILE 26 N 6.60 3.60 -0.09 3.12 -1.16 -1.26 -0.86 121.20 131.16 1pma s ILE 26 Ca 0.50 0.22 0.15 0.00 -0.51 0.00 0.00 60.65 61.01 1pma s ILE 26 Cb -0.05 -4.57 -0.13 0.00 0.61 0.00 0.00 42.46 38.31 1pma s ILE 26 CO 0.03 -1.52 0.93 -0.03 -2.81 0.00 0.00 174.94 171.54 1pma h MET 27 N 11.67 0.00 -3.68 3.50 1.85 -1.86 -3.45 114.93 122.96 1pma h MET 27 Ca -0.22 0.00 -0.49 0.00 -0.61 0.00 0.00 59.70 58.38 1pma h MET 27 Cb 1.08 0.00 -0.39 0.00 0.43 0.00 0.00 31.60 32.72 1pma h MET 27 CO 1.27 0.43 -0.77 -1.01 -0.40 0.00 0.00 176.91 176.43 1pma s HIS 28 N -2.84 0.97 -0.40 1.39 3.76 -0.56 -5.01 115.29 112.60 1pma s HIS 28 Ca -0.02 -0.62 0.26 0.00 -0.15 0.00 0.00 55.06 54.53 1pma s HIS 28 Cb 0.08 -0.98 0.74 0.00 1.11 0.00 0.00 32.58 33.54 1pma s HIS 28 CO 0.80 -0.50 1.74 0.87 -0.85 0.00 0.00 174.74 176.80 1pma h LYS 29 N 8.26 0.00 -2.80 1.40 1.57 -1.85 -0.57 116.57 122.59 1pma h LYS 29 Ca -0.19 0.00 -0.61 0.00 -1.87 0.00 0.00 60.65 57.99 1pma h LYS 29 Cb 1.12 0.00 -0.40 0.00 0.08 0.00 0.00 32.23 33.03 1pma h LYS 29 CO 0.32 0.00 -0.74 -0.80 -0.57 0.00 0.00 179.45 177.66 1pma s ASN 30 N -5.50 3.42 0.63 0.86 -0.87 -1.25 -4.22 114.94 108.02 1pma s ASN 30 Ca 0.06 -3.47 0.04 0.00 -1.57 0.00 0.00 52.86 47.93 1pma s ASN 30 Cb 0.08 -1.13 0.10 0.00 -0.02 0.00 0.00 41.25 40.28 1pma s ASN 30 CO 0.60 -0.13 0.87 -0.83 -2.57 0.00 0.00 177.10 175.04 1pma s GLY 31 N -0.75 1.76 -0.09 0.66 0.00 0.13 -5.04 107.32 104.00 1pma s GLY 31 Ca 0.28 -1.89 0.03 0.00 0.00 0.00 0.00 44.72 43.14 1pma s GLY 31 CO -0.17 -1.41 -0.20 1.25 0.00 0.00 0.00 173.10 172.58 1pma s LYS 32 N -4.87 2.54 0.00 2.90 2.20 -1.26 -4.75 119.74 116.50 1pma s LYS 32 Ca 0.63 -0.71 0.00 0.00 -0.36 0.00 0.00 55.97 55.53 1pma s LYS 32 Cb -0.06 -1.97 0.00 0.00 -1.51 0.00 0.00 37.83 34.29 1pma s LYS 32 CO 0.41 0.13 0.62 1.63 -0.36 0.00 0.00 175.35 177.78 1pma n LYS 33 N 3.60 0.67 -4.59 4.03 5.02 -1.26 -4.98 118.16 120.65 1pma n LYS 33 Ca -0.20 -0.80 -0.31 0.00 -2.02 0.00 0.00 58.31 54.99 1pma n LYS 33 Cb 0.53 -0.88 -0.17 0.00 -0.02 0.00 0.00 35.03 34.49 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 -0.36 1.92 0.01 -0.35 2.96 -1.26 -1.86 118.68 119.73 1pma s LEU 34 Ca 0.00 -0.52 0.02 0.00 -0.22 0.00 0.00 54.13 53.42 1pma s LEU 34 Cb 0.00 -1.27 -0.01 0.00 0.50 0.00 0.00 46.19 45.41 1pma s LEU 34 CO 0.00 0.05 -0.08 -0.36 -1.32 0.00 0.00 176.35 174.64 1pma s PHE 35 N 0.88 0.71 0.22 5.38 0.08 -0.43 -5.01 117.98 119.81 1pma s PHE 35 Ca -0.07 -0.20 -0.29 0.00 0.12 0.00 0.00 56.93 56.49 1pma s PHE 35 Cb -0.15 -0.45 -0.09 0.00 -0.57 0.00 0.00 43.02 41.76 1pma s PHE 35 CO -0.01 -0.02 0.90 -1.14 -0.10 0.00 0.00 175.22 174.85 1pma s GLN 36 N -0.46 4.78 0.00 0.44 0.74 -1.26 -0.84 119.66 123.05 1pma s GLN 36 Ca 0.01 1.40 0.03 0.00 0.05 0.00 0.00 55.36 56.85 1pma s GLN 36 Cb -0.04 -3.28 -0.03 0.00 1.10 0.00 0.00 33.01 30.76 1pma s GLN 36 CO -0.00 0.52 0.15 1.51 -0.55 0.00 0.00 175.29 176.93 1pma n ILE 37 N 1.56 0.00 -3.60 -2.34 3.06 0.92 -4.88 119.36 114.08 1pma n ILE 37 Ca -0.03 -0.43 -0.05 0.00 -2.50 0.00 0.00 62.75 59.75 1pma n ILE 37 Cb 0.47 1.00 -0.03 0.00 0.54 0.00 0.00 39.64 41.63 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 -1.28 -0.15 0.24 9.51 2.15 -1.03 -4.69 116.67 121.42 1pma s ASP 38 Ca 0.01 0.04 0.08 0.00 0.43 0.00 0.00 52.55 53.11 1pma s ASP 38 Cb 0.02 0.15 0.76 0.00 -0.30 0.00 0.00 42.92 43.55 1pma s ASP 38 CO 0.13 -0.22 1.13 0.35 -0.17 0.00 0.00 175.17 176.39 1pma n THR 39 N 0.05 -0.30 -1.92 1.71 -2.24 -1.26 -0.62 114.28 109.70 1pma n THR 39 Ca -0.01 1.52 -0.17 0.00 -2.27 0.00 0.00 64.05 63.13 1pma n THR 39 Cb 0.58 -2.34 0.07 0.00 -2.10 0.00 0.00 70.33 66.54 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 -4.80 2.07 -3.57 4.78 4.01 -1.26 -3.08 117.16 115.30 1pma n TYR 40 Ca 0.22 -2.04 -0.16 0.00 -0.16 0.00 0.00 57.90 55.76 1pma n TYR 40 Cb 0.74 -0.32 -0.06 0.00 -0.31 0.00 0.00 39.34 39.39 1pma n TYR 40 CO 0.00 0.00 0.00 -0.08 -0.46 0.00 0.00 176.86 176.32 1pma s THR 41 N -4.26 0.00 0.19 -0.72 -1.32 0.21 -2.69 115.64 107.05 1pma s THR 41 Ca 0.48 0.00 0.04 0.00 -1.21 0.00 0.00 61.69 60.99 1pma s THR 41 Cb 0.40 -1.00 -0.05 0.00 -1.51 0.00 0.00 72.50 70.34 1pma s THR 41 CO 0.01 0.00 -0.04 -0.83 -2.21 0.00 0.00 174.62 171.55 1pma s GLY 42 N -0.47 1.32 -0.01 6.08 0.00 -0.24 -0.05 107.32 113.95 1pma s GLY 42 Ca -0.05 -1.63 -0.02 0.00 0.00 0.00 0.00 44.72 43.01 1pma s GLY 42 CO 0.05 -1.62 0.04 -0.29 0.00 0.00 0.00 173.10 171.29 1pma s MET 43 N -3.83 0.19 -0.11 2.90 1.75 -0.02 -1.26 119.30 118.92 1pma s MET 43 Ca 0.23 -0.17 0.02 0.00 -1.25 0.00 0.00 55.69 54.52 1pma s MET 43 Cb 0.05 0.08 -0.01 0.00 2.84 0.00 0.00 34.83 37.79 1pma s MET 43 CO 0.05 -0.03 -0.20 0.95 -0.65 0.00 0.00 175.02 175.14 1pma s THR 44 N -0.56 2.43 0.12 10.11 -4.23 0.39 -1.31 115.64 122.59 1pma s THR 44 Ca -0.06 -0.89 -0.03 0.00 -1.18 0.00 0.00 61.69 59.53 1pma s THR 44 Cb -0.04 -1.97 -0.05 0.00 1.34 0.00 0.00 72.50 71.78 1pma s THR 44 CO -0.00 0.55 0.33 -0.63 -0.54 0.00 0.00 174.62 174.32 1pma s ILE 45 N 0.35 5.23 -0.29 2.99 1.01 -0.78 -2.03 121.20 127.69 1pma s ILE 45 Ca -0.16 -0.10 -0.15 0.00 0.00 0.00 0.00 60.65 60.24 1pma s ILE 45 Cb -0.17 -3.63 0.13 0.00 0.01 0.00 0.00 42.46 38.80 1pma s ILE 45 CO 0.08 0.06 0.85 0.00 0.00 0.00 0.00 174.94 175.93 1pma s ALA 46 N -1.62 -2.18 0.00 9.38 0.00 -1.10 -4.90 121.76 121.35 1pma s ALA 46 Ca 0.39 2.27 0.00 0.00 0.00 0.00 0.00 51.96 54.63 1pma s ALA 46 Cb -0.12 -1.67 0.00 0.00 0.00 0.00 0.00 23.12 21.32 1pma s ALA 46 CO 0.26 -0.51 0.00 0.41 0.00 0.00 0.00 175.76 175.92 1pma n GLY 47 N 4.28 0.36 3.64 0.00 0.00 -1.26 -0.64 105.19 111.57 1pma n GLY 47 Ca -0.17 -1.67 -0.43 0.00 0.00 0.00 0.00 46.02 43.75 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 3.98 0.14 0.99 2.96 -0.68 -4.92 118.68 121.15 1pma s LEU 48 Ca 0.00 1.47 -0.30 0.00 -0.22 0.00 0.00 54.13 55.08 1pma s LEU 48 Cb 0.00 -3.54 -0.06 0.00 0.50 0.00 0.00 46.19 43.09 1pma s LEU 48 CO 0.00 -1.04 1.56 -0.37 -1.32 0.00 0.00 176.35 175.19 1pma h VAL 49 N 5.87 0.07 -0.73 1.68 -1.51 -1.95 0.05 116.25 119.73 1pma h VAL 49 Ca -0.29 0.00 0.07 0.00 -1.23 0.00 0.00 66.70 65.25 1pma h VAL 49 Cb 1.12 0.07 -0.10 0.00 -2.13 0.00 0.00 31.29 30.24 1pma h VAL 49 CO 1.01 0.00 -0.53 1.23 -1.23 0.00 0.00 177.57 178.04 1pma h GLY 50 N -0.43 -1.02 0.63 5.19 0.00 -1.98 0.25 103.07 105.71 1pma h GLY 50 Ca 0.09 0.79 0.04 0.00 0.00 0.00 0.00 47.33 48.26 1pma h GLY 50 CO -0.52 -0.08 0.05 -0.55 0.00 0.00 0.00 176.54 175.44 1pma h ASP 51 N -0.13 -0.01 -0.15 0.19 3.32 -1.84 -2.23 116.42 115.57 1pma h ASP 51 Ca 0.12 0.05 0.05 0.00 0.02 0.00 0.00 57.03 57.27 1pma h ASP 51 Cb 0.44 0.07 -0.07 0.00 0.22 0.00 0.00 39.33 40.00 1pma h ASP 51 CO -0.76 0.03 -0.34 0.00 -1.72 0.00 0.00 179.24 176.45 1pma h ALA 52 N 1.22 -0.39 0.56 3.45 0.00 0.10 -1.92 119.26 122.28 1pma h ALA 52 Ca 0.14 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 1pma h ALA 52 Cb 0.15 0.64 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 1pma h ALA 52 CO -0.19 -0.81 -0.42 1.96 0.00 0.00 0.00 179.25 179.78 1pma h GLN 53 N -0.40 -0.92 -0.62 0.00 4.20 -0.05 -0.86 115.11 116.46 1pma h GLN 53 Ca 0.10 0.06 0.12 0.00 0.06 0.00 0.00 58.65 58.99 1pma h GLN 53 Cb 0.56 0.21 -0.09 0.00 0.30 0.00 0.00 27.48 28.46 1pma h GLN 53 CO -0.37 -0.61 0.14 -0.24 -0.67 0.00 0.00 178.83 177.07 1pma h VAL 54 N -0.96 0.63 -0.77 -0.54 3.04 -1.38 0.19 116.25 116.46 1pma h VAL 54 Ca -0.06 -0.09 0.06 0.00 -1.01 0.00 0.00 66.70 65.59 1pma h VAL 54 Cb 0.80 0.33 -0.06 0.00 -2.01 0.00 0.00 31.29 30.36 1pma h VAL 54 CO 0.01 0.05 0.47 0.25 -1.01 0.00 0.00 177.57 177.34 1pma h LEU 55 N 0.27 0.73 -0.69 3.16 5.85 -1.08 -0.24 115.31 123.31 1pma h LEU 55 Ca 0.33 0.02 -0.02 0.00 0.84 0.00 0.00 57.88 59.05 1pma h LEU 55 Cb 0.50 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.36 1pma h LEU 55 CO -0.41 0.47 0.36 1.62 -0.34 0.00 0.00 178.44 180.13 1pma h VAL 56 N 0.86 1.22 0.23 1.05 3.04 0.46 -0.27 116.25 122.83 1pma h VAL 56 Ca 0.33 -0.59 -0.01 0.00 -1.01 0.00 0.00 66.70 65.42 1pma h VAL 56 Cb 0.15 0.35 0.00 0.00 -2.01 0.00 0.00 31.29 29.77 1pma h VAL 56 CO -0.16 0.25 -0.12 0.03 -1.01 0.00 0.00 177.57 176.56 1pma h ARG 57 N 0.95 -0.30 0.10 4.17 3.08 0.07 -1.23 114.38 121.22 1pma h ARG 57 Ca 0.24 0.02 0.01 0.00 0.07 0.00 0.00 59.98 60.32 1pma h ARG 57 Cb 0.08 0.07 -0.04 0.00 0.08 0.00 0.00 29.97 30.15 1pma h ARG 57 CO -0.03 -0.20 -0.49 1.88 -1.07 0.00 0.00 179.97 180.06 1pma h TYR 58 N -0.32 -1.41 -0.90 3.04 -1.99 -0.75 -2.00 116.97 112.63 1pma h TYR 58 Ca -0.03 0.04 0.25 0.00 2.00 0.00 0.00 58.73 60.99 1pma h TYR 58 Cb 0.25 0.60 -0.14 0.00 2.00 0.00 0.00 36.73 39.44 1pma h TYR 58 CO -0.07 -0.55 0.32 1.98 -0.00 0.00 0.00 178.16 179.85 1pma h MET 59 N -0.68 0.26 0.85 4.88 4.05 -0.85 -1.10 114.93 122.34 1pma h MET 59 Ca -0.00 -0.02 -0.04 0.00 -0.28 0.00 0.00 59.70 59.36 1pma h MET 59 Cb 0.69 -0.06 0.01 0.00 -0.80 0.00 0.00 31.60 31.44 1pma h MET 59 CO -0.27 0.17 -0.44 -0.22 0.23 0.00 0.00 176.91 176.38 1pma h LYS 60 N 0.26 -1.14 -0.01 0.39 3.64 -0.59 -1.85 116.57 117.28 1pma h LYS 60 Ca 0.58 0.08 0.03 0.00 -1.27 0.00 0.00 60.65 60.07 1pma h LYS 60 Cb 1.20 0.26 -0.04 0.00 -0.41 0.00 0.00 32.23 33.24 1pma h LYS 60 CO -0.62 -0.76 -0.19 0.00 -2.27 0.00 0.00 179.45 175.61 1pma h ALA 61 N -1.39 -0.23 -0.70 5.00 0.00 -0.67 -0.60 119.26 120.66 1pma h ALA 61 Ca -0.12 0.01 0.15 0.00 0.00 0.00 0.00 54.91 54.95 1pma h ALA 61 Cb 0.92 0.34 -0.10 0.00 0.00 0.00 0.00 17.79 18.94 1pma h ALA 61 CO 0.17 -0.68 0.16 1.49 0.00 0.00 0.00 179.25 180.39 1pma h GLU 62 N -0.30 0.26 -0.10 0.00 4.57 -1.28 0.26 114.58 117.99 1pma h GLU 62 Ca 0.06 -0.02 -0.01 0.00 -1.18 0.00 0.00 59.36 58.22 1pma h GLU 62 Cb 0.38 -0.06 -0.00 0.00 -0.16 0.00 0.00 28.75 28.91 1pma h GLU 62 CO -0.18 0.17 0.04 -0.07 -1.18 0.00 0.00 179.01 177.79 1pma h LEU 63 N 0.26 0.14 0.18 1.64 4.07 -0.77 -0.99 115.31 119.84 1pma h LEU 63 Ca 0.39 -0.15 0.00 0.00 0.08 0.00 0.00 57.88 58.20 1pma h LEU 63 Cb 0.65 -0.03 -0.01 0.00 1.08 0.00 0.00 40.66 42.34 1pma h LEU 63 CO -0.49 0.25 -0.15 -0.08 -1.08 0.00 0.00 178.44 176.89 1pma h GLU 64 N 0.01 -0.34 -0.50 1.13 4.81 0.49 -1.61 114.58 118.58 1pma h GLU 64 Ca 0.03 0.02 0.07 0.00 -0.13 0.00 0.00 59.36 59.36 1pma h GLU 64 Cb 0.15 0.08 -0.06 0.00 0.63 0.00 0.00 28.75 29.55 1pma h GLU 64 CO -0.00 -0.23 0.16 1.25 -0.73 0.00 0.00 179.01 179.46 1pma h LEU 65 N -0.35 0.13 -0.50 1.64 5.85 -0.53 -1.93 115.31 119.63 1pma h LEU 65 Ca -0.00 0.07 0.05 0.00 0.84 0.00 0.00 57.88 58.83 1pma h LEU 65 Cb 0.32 0.07 -0.05 0.00 0.37 0.00 0.00 40.66 41.37 1pma h LEU 65 CO -0.02 0.10 0.23 0.22 -0.34 0.00 0.00 178.44 178.63 1pma h TYR 66 N 0.32 0.42 -0.28 1.25 5.03 -0.91 -2.57 116.97 120.23 1pma h TYR 66 Ca 0.24 0.02 0.04 0.00 2.58 0.00 0.00 58.73 61.62 1pma h TYR 66 Cb 0.28 -0.12 -0.04 0.00 1.55 0.00 0.00 36.73 38.40 1pma h TYR 66 CO -0.18 0.19 0.02 -0.09 -1.32 0.00 0.00 178.16 176.78 1pma h ARG 67 N 0.45 0.11 0.69 1.82 2.43 -0.55 0.72 114.38 120.05 1pma h ARG 67 Ca 0.22 -0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 59.36 1pma h ARG 67 Cb 0.16 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.68 1pma h ARG 67 CO -0.18 0.07 -0.50 -0.07 -1.51 0.00 0.00 179.97 177.78 1pma h LEU 68 N 0.11 -1.32 -1.33 3.80 4.07 -1.19 0.36 115.31 119.81 1pma h LEU 68 Ca 0.13 0.09 -0.03 0.00 0.08 0.00 0.00 57.88 58.14 1pma h LEU 68 Cb 0.16 0.40 -0.02 0.00 1.08 0.00 0.00 40.66 42.29 1pma h LEU 68 CO -0.20 -0.73 0.08 1.56 -1.08 0.00 0.00 178.44 178.07 1pma h GLN 69 N -1.14 0.53 -0.02 1.13 4.20 -1.37 -2.78 115.11 115.65 1pma h GLN 69 Ca -0.09 -0.09 0.00 0.00 0.06 0.00 0.00 58.65 58.53 1pma h GLN 69 Cb 0.94 -0.09 0.00 0.00 0.30 0.00 0.00 27.48 28.63 1pma h GLN 69 CO 0.04 0.50 -0.32 0.54 -0.67 0.00 0.00 178.83 178.92 1pma n ARG 70 N -4.34 1.28 -0.98 1.46 1.74 0.24 -4.96 116.66 111.10 1pma n ARG 70 Ca 0.02 -0.97 -0.04 0.00 -0.77 0.00 0.00 57.85 56.09 1pma n ARG 70 Cb 0.19 -1.48 -0.02 0.00 -1.02 0.00 0.00 32.46 30.13 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 -0.01 -1.86 -3.88 5.56 3.00 0.13 -4.89 116.66 114.71 1pma n ARG 71 Ca 0.11 0.55 -0.09 0.00 -0.00 0.00 0.00 57.85 58.43 1pma n ARG 71 Cb 0.44 -4.75 -0.08 0.00 0.00 0.00 0.00 32.46 28.07 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 -1.21 0.14 0.42 5.15 0.11 -1.19 -5.02 120.40 118.80 1pma s VAL 72 Ca 0.00 -1.14 -0.23 0.00 -2.93 0.00 0.00 61.98 57.68 1pma s VAL 72 Cb 0.00 -1.19 -0.09 0.00 -1.53 0.00 0.00 36.38 33.57 1pma s VAL 72 CO 0.00 -0.63 1.04 0.20 -3.33 0.00 0.00 175.10 172.38 1pma s ASN 73 N -2.57 6.66 0.06 3.54 -0.87 -1.26 -4.25 114.94 116.25 1pma s ASN 73 Ca 0.01 2.00 -0.30 0.00 -1.57 0.00 0.00 52.86 53.00 1pma s ASN 73 Cb 0.03 -2.58 -0.05 0.00 -0.02 0.00 0.00 41.25 38.63 1pma s ASN 73 CO -0.08 -0.56 1.14 -0.32 -2.57 0.00 0.00 177.10 174.71 1pma s MET 74 N -2.70 4.48 0.60 -0.60 -2.45 -1.26 -5.01 119.30 112.36 1pma s MET 74 Ca 0.60 1.69 -0.20 0.00 -1.25 0.00 0.00 55.69 56.53 1pma s MET 74 Cb -0.20 -3.36 -0.03 0.00 1.25 0.00 0.00 34.83 32.48 1pma s MET 74 CO 0.25 -0.18 1.28 -2.30 1.05 0.00 0.00 175.02 175.13 1pma n PRO 75 N 3.75 1.34 -0.11 4.11 -0.02 -1.26 -4.78 135.00 138.03 1pma n PRO 75 Ca 0.08 0.51 -0.06 0.00 -2.02 0.00 0.00 63.50 62.01 1pma n PRO 75 Cb 0.47 -2.51 0.02 0.00 -0.02 0.00 0.00 33.50 31.47 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 0.93 0.88 -0.91 4.25 1.08 -1.95 -0.01 117.51 121.78 1pma h ILE 76 Ca -0.51 -0.09 0.03 0.00 -0.39 0.00 0.00 64.86 63.90 1pma h ILE 76 Cb 1.33 0.58 -0.05 0.00 -3.07 0.00 0.00 36.82 35.61 1pma h ILE 76 CO 0.55 0.05 0.59 -0.08 -0.69 0.00 0.00 178.15 178.57 1pma h GLU 77 N 0.28 1.13 -0.40 2.37 4.81 -1.99 0.48 114.58 121.25 1pma h GLU 77 Ca 0.17 -0.07 0.03 0.00 -0.13 0.00 0.00 59.36 59.36 1pma h GLU 77 Cb 0.16 -0.25 -0.03 0.00 0.63 0.00 0.00 28.75 29.25 1pma h GLU 77 CO -0.18 0.75 0.21 0.00 -0.73 0.00 0.00 179.01 179.05 1pma h ALA 78 N 1.37 0.50 -0.75 2.92 0.00 -1.53 0.34 119.26 122.10 1pma h ALA 78 Ca 0.36 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.24 1pma h ALA 78 Cb -0.03 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 1pma h ALA 78 CO -0.11 -0.15 0.33 -0.24 0.00 0.00 0.00 179.25 179.08 1pma h VAL 79 N 0.42 1.25 0.13 0.00 3.04 -0.06 -1.38 116.25 119.65 1pma h VAL 79 Ca 0.17 -0.74 0.01 0.00 -1.01 0.00 0.00 66.70 65.13 1pma h VAL 79 Cb 0.07 0.34 -0.02 0.00 -2.01 0.00 0.00 31.29 29.67 1pma h VAL 79 CO -0.11 0.31 -0.16 0.00 -1.01 0.00 0.00 177.57 176.59 1pma h ALA 80 N 1.17 -0.30 -0.40 3.17 0.00 0.10 -1.67 119.26 121.33 1pma h ALA 80 Ca 0.25 -0.04 0.07 0.00 0.00 0.00 0.00 54.91 55.20 1pma h ALA 80 Cb 0.17 0.25 -0.06 0.00 0.00 0.00 0.00 17.79 18.14 1pma h ALA 80 CO -0.03 -0.70 0.02 1.15 0.00 0.00 0.00 179.25 179.70 1pma h THR 81 N -0.34 0.73 -0.13 0.00 2.02 -0.12 0.12 112.91 115.19 1pma h THR 81 Ca 0.01 -0.05 0.05 0.00 0.77 0.00 0.00 66.41 67.19 1pma h THR 81 Cb 0.34 0.58 -0.06 0.00 -1.74 0.00 0.00 68.15 67.27 1pma h THR 81 CO -0.07 0.02 -0.27 0.25 0.37 0.00 0.00 175.52 175.83 1pma h LEU 82 N 0.13 -0.84 -0.60 2.58 5.85 -0.92 0.17 115.31 121.69 1pma h LEU 82 Ca 0.20 0.13 0.05 0.00 0.84 0.00 0.00 57.88 59.10 1pma h LEU 82 Cb 0.27 0.36 -0.05 0.00 0.37 0.00 0.00 40.66 41.61 1pma h LEU 82 CO -0.31 -0.32 0.32 0.25 -0.34 0.00 0.00 178.44 178.05 1pma h LEU 83 N -0.34 0.48 0.05 2.25 5.85 -0.55 0.11 115.31 123.15 1pma h LEU 83 Ca 0.10 0.03 0.03 0.00 0.84 0.00 0.00 57.88 58.87 1pma h LEU 83 Cb 0.49 -0.07 -0.05 0.00 0.37 0.00 0.00 40.66 41.41 1pma h LEU 83 CO -0.32 0.32 -0.33 -1.28 -0.34 0.00 0.00 178.44 176.48 1pma h SER 84 N 0.61 -0.98 -0.79 1.25 0.87 0.32 -0.22 113.55 114.61 1pma h SER 84 Ca 0.27 0.12 0.10 0.00 -1.23 0.00 0.00 61.79 61.04 1pma h SER 84 Cb 0.15 0.39 -0.07 0.00 -0.44 0.00 0.00 62.40 62.43 1pma h SER 84 CO -0.17 -0.40 0.44 0.78 -0.53 0.00 0.00 176.83 176.95 1pma h ASN 85 N -0.51 0.61 0.36 6.23 4.21 0.02 -0.75 115.58 125.74 1pma h ASN 85 Ca 0.05 0.05 -0.01 0.00 1.21 0.00 0.00 56.30 57.60 1pma h ASN 85 Cb 0.58 -0.06 -0.01 0.00 -1.12 0.00 0.00 38.32 37.70 1pma h ASN 85 CO -0.24 0.35 -0.28 0.24 -1.29 0.00 0.00 177.43 176.20 1pma h MET 86 N 0.73 -0.62 -0.44 0.81 2.86 0.03 -2.17 114.93 116.13 1pma h MET 86 Ca 0.39 0.04 -0.03 0.00 -2.06 0.00 0.00 59.70 58.04 1pma h MET 86 Cb 0.37 0.14 -0.02 0.00 0.06 0.00 0.00 31.60 32.16 1pma h MET 86 CO -0.26 -0.41 0.17 -0.07 1.06 0.00 0.00 176.91 177.40 1pma h LEU 87 N -0.65 0.61 -0.49 1.22 4.07 -0.59 -3.18 115.31 116.31 1pma h LEU 87 Ca -0.03 -0.17 -0.10 0.00 0.08 0.00 0.00 57.88 57.66 1pma h LEU 87 Cb 0.56 -0.16 -0.02 0.00 1.08 0.00 0.00 40.66 42.13 1pma h LEU 87 CO -0.01 0.62 -0.07 -1.13 -1.08 0.00 0.00 178.44 176.77 1pma h ASN 88 N 0.56 0.91 0.00 -0.43 -0.73 -1.19 -2.80 115.58 111.90 1pma h ASN 88 Ca 0.14 -0.34 0.00 0.00 1.87 0.00 0.00 56.30 57.97 1pma h ASN 88 Cb 0.20 -0.25 0.00 0.00 0.27 0.00 0.00 38.32 38.55 1pma h ASN 88 CO -0.01 1.04 0.15 1.67 -0.37 0.00 0.00 177.43 179.91 1pma n GLN 89 N -4.26 0.09 -0.49 6.67 7.27 -0.82 -1.11 117.38 124.74 1pma n GLN 89 Ca 0.01 0.56 0.06 0.00 0.07 0.00 0.00 57.00 57.70 1pma n GLN 89 Cb 0.37 -1.95 0.11 0.00 2.41 0.00 0.00 30.24 31.17 1pma n GLN 89 CO 0.00 0.00 0.00 1.55 0.07 0.00 0.00 177.06 178.68 1pma n VAL 90 N -2.00 1.25 -0.36 1.69 3.14 -1.07 -4.88 118.33 116.10 1pma n VAL 90 Ca -0.01 -1.78 0.30 0.00 -2.96 0.00 0.00 64.34 59.89 1pma n VAL 90 Cb 0.17 0.11 0.61 0.00 -1.06 0.00 0.00 33.84 33.67 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 0.37 0.21 -0.00 1.45 2.10 -0.97 0.12 116.57 119.84 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 1.22 -0.05 0.00 0.00 -0.90 0.00 0.00 32.23 32.50 1pma h LYS 91 CO 0.01 0.14 -0.01 0.66 -2.00 0.00 0.00 179.45 178.26 1pma n TYR 92 N -4.50 0.00 -2.72 0.07 4.01 -1.26 -3.29 117.16 109.46 1pma n TYR 92 Ca 0.28 0.00 -0.08 0.00 -0.16 0.00 0.00 57.90 57.94 1pma n TYR 92 Cb 1.12 -0.15 0.08 0.00 -0.31 0.00 0.00 39.34 40.09 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 -1.12 1.15 -0.71 -0.72 2.81 0.26 -5.15 117.12 113.64 1pma n MET 93 Ca 0.19 -2.30 -0.32 0.00 -1.81 0.00 0.00 57.70 53.47 1pma n MET 93 Cb 0.18 -0.58 0.16 0.00 -0.71 0.00 0.00 33.22 32.27 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 -0.28 -0.43 -2.74 0.03 -0.04 -0.36 -4.96 135.00 126.22 1pma n PRO 94 Ca 0.03 -0.07 -0.43 0.00 -0.04 0.00 0.00 63.50 63.00 1pma n PRO 94 Cb 0.81 -2.22 -0.03 0.00 -0.04 0.00 0.00 33.50 32.01 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 -2.57 2.78 -1.12 0.54 2.02 -1.26 -4.91 117.35 112.83 1pma s TYR 95 Ca 0.64 0.28 -0.23 0.00 -0.37 0.00 0.00 57.07 57.39 1pma s TYR 95 Cb -0.22 -4.20 -0.07 0.00 -0.40 0.00 0.00 41.96 37.07 1pma s TYR 95 CO 0.61 -1.34 1.92 -1.64 -1.57 0.00 0.00 175.55 173.53 1pma s MET 96 N 4.22 2.61 0.18 -0.62 -1.94 -1.26 -4.64 119.30 117.85 1pma s MET 96 Ca 0.37 -1.01 -0.08 0.00 -1.71 0.00 0.00 55.69 53.26 1pma s MET 96 Cb -0.10 -5.22 -0.01 0.00 2.01 0.00 0.00 34.83 31.51 1pma s MET 96 CO 0.24 -3.71 0.28 0.54 -0.01 0.00 0.00 175.02 172.36 1pma s VAL 97 N 10.30 0.05 -0.16 -6.03 0.11 -1.26 -1.69 120.40 121.73 1pma s VAL 97 Ca 0.67 -1.49 -0.03 0.00 -2.93 0.00 0.00 61.98 58.20 1pma s VAL 97 Cb -0.02 -1.98 0.05 0.00 -1.53 0.00 0.00 36.38 32.90 1pma s VAL 97 CO 0.09 -0.23 0.06 -1.58 -3.33 0.00 0.00 175.10 170.11 1pma s GLN 98 N -4.00 0.33 0.15 1.54 0.74 0.19 -3.14 119.66 115.47 1pma s GLN 98 Ca 0.21 -0.14 0.06 0.00 0.05 0.00 0.00 55.36 55.54 1pma s GLN 98 Cb 0.03 -1.71 -0.04 0.00 1.10 0.00 0.00 33.01 32.39 1pma s GLN 98 CO 0.03 -0.58 0.04 -0.51 -0.55 0.00 0.00 175.29 173.71 1pma s LEU 99 N 2.02 3.47 -0.05 3.68 1.43 -0.89 -2.70 118.68 125.64 1pma s LEU 99 Ca 0.02 -0.28 0.01 0.00 -1.03 0.00 0.00 54.13 52.84 1pma s LEU 99 Cb -0.16 -2.13 0.02 0.00 0.03 0.00 0.00 46.19 43.96 1pma s LEU 99 CO -0.08 0.10 -0.06 -0.22 0.23 0.00 0.00 176.35 176.33 1pma s LEU 100 N -2.86 1.32 -0.09 1.79 2.96 -0.86 -1.52 118.68 119.42 1pma s LEU 100 Ca 0.28 -0.16 0.01 0.00 -0.22 0.00 0.00 54.13 54.03 1pma s LEU 100 Cb -0.10 -0.53 0.02 0.00 0.50 0.00 0.00 46.19 46.08 1pma s LEU 100 CO 0.20 -0.05 -0.09 0.54 -1.32 0.00 0.00 176.35 175.63 1pma s VAL 101 N 0.99 1.01 0.21 1.68 0.11 -0.25 -0.46 120.40 123.69 1pma s VAL 101 Ca -0.10 -0.34 0.05 0.00 -2.93 0.00 0.00 61.98 58.67 1pma s VAL 101 Cb -0.14 -0.99 -0.05 0.00 -1.53 0.00 0.00 36.38 33.66 1pma s VAL 101 CO -0.00 0.35 -0.07 -0.83 -3.33 0.00 0.00 175.10 171.22 1pma s GLY 102 N 1.27 1.44 0.00 6.54 0.00 -0.38 -0.02 107.32 116.16 1pma s GLY 102 Ca -0.04 -1.69 0.00 0.00 0.00 0.00 0.00 44.72 42.99 1pma s GLY 102 CO -0.03 -1.70 0.00 0.61 0.00 0.00 0.00 173.10 171.98 1pma n GLY 103 N -0.38 -1.33 2.89 0.20 0.00 0.42 -1.08 105.19 105.91 1pma n GLY 103 Ca -0.07 -0.95 -0.15 0.00 0.00 0.00 0.00 46.02 44.85 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 -2.67 -0.42 0.00 -0.61 2.07 -1.09 0.14 121.20 118.62 1pma s ILE 104 Ca 0.00 0.05 0.00 0.00 -1.41 0.00 0.00 60.65 59.29 1pma s ILE 104 Cb 0.00 -0.62 0.00 0.00 0.13 0.00 0.00 42.46 41.97 1pma s ILE 104 CO 0.00 -0.06 0.00 -0.90 -1.91 0.00 0.00 174.94 172.07 1pma n ASP 105 N 5.34 0.00 0.23 4.50 5.68 -1.26 -4.82 116.55 126.22 1pma n ASP 105 Ca -0.05 0.00 0.15 0.00 -0.50 0.00 0.00 54.79 54.39 1pma n ASP 105 Cb 0.50 0.00 0.60 0.00 -1.14 0.00 0.00 41.12 41.08 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 -2.94 2.12 1.03 -2.01 -3.45 112.91 107.66 1pma h THR 106 Ca 0.00 -0.45 0.02 0.00 -0.01 0.00 0.00 66.41 65.97 1pma h THR 106 Cb 0.00 1.37 -0.10 0.00 -1.07 0.00 0.00 68.15 68.34 1pma h THR 106 CO 0.00 0.00 0.24 0.00 -0.01 0.00 0.00 175.52 175.75 1pma s ALA 107 N -3.53 -1.51 0.78 0.00 0.00 -1.26 -5.17 121.76 111.07 1pma s ALA 107 Ca 0.03 0.30 -0.12 0.00 0.00 0.00 0.00 51.96 52.17 1pma s ALA 107 Cb 0.09 0.84 0.06 0.00 0.00 0.00 0.00 23.12 24.12 1pma s ALA 107 CO 0.50 -0.84 1.11 -2.14 0.00 0.00 0.00 175.76 174.39 1pma s PRO 108 N -3.74 2.10 -0.02 0.00 0.02 -1.26 -4.30 135.00 127.79 1pma s PRO 108 Ca 0.04 1.33 -0.23 0.00 0.02 0.00 0.00 61.00 62.16 1pma s PRO 108 Cb -0.02 -1.87 0.05 0.00 0.02 0.00 0.00 34.50 32.68 1pma s PRO 108 CO -0.07 -1.79 0.51 -1.01 -0.33 0.00 0.00 177.00 174.31 1pma s HIS 109 N -2.69 -0.43 -0.21 6.54 3.76 0.37 -4.89 115.29 117.74 1pma s HIS 109 Ca 0.64 0.69 -0.05 0.00 -0.15 0.00 0.00 55.06 56.20 1pma s HIS 109 Cb -0.20 0.27 0.11 0.00 1.11 0.00 0.00 32.58 33.87 1pma s HIS 109 CO 0.53 -0.52 0.38 0.54 -0.85 0.00 0.00 174.74 174.82 1pma s VAL 110 N -1.39 -0.60 -0.07 -0.90 0.11 -1.26 -0.44 120.40 115.85 1pma s VAL 110 Ca -0.11 0.07 0.03 0.00 -2.93 0.00 0.00 61.98 59.03 1pma s VAL 110 Cb -0.02 -0.71 -0.02 0.00 -1.53 0.00 0.00 36.38 34.10 1pma s VAL 110 CO 0.06 -0.02 -0.17 -0.36 -3.33 0.00 0.00 175.10 171.29 1pma s PHE 111 N 2.56 2.67 -0.17 1.54 0.40 0.97 -2.19 117.98 123.76 1pma s PHE 111 Ca 0.05 -0.44 -0.11 0.00 -0.60 0.00 0.00 56.93 55.84 1pma s PHE 111 Cb -0.14 -1.68 -0.05 0.00 0.51 0.00 0.00 43.02 41.66 1pma s PHE 111 CO -0.14 -0.03 0.18 0.45 0.70 0.00 0.00 175.22 176.39 1pma s SER 112 N -0.27 6.32 -0.03 1.36 0.15 0.12 -1.09 113.70 120.26 1pma s SER 112 Ca 0.01 0.37 0.03 0.00 0.70 0.00 0.00 55.95 57.06 1pma s SER 112 Cb -0.13 -2.12 0.00 0.00 -1.71 0.00 0.00 66.02 62.07 1pma s SER 112 CO 0.03 0.20 -0.11 -0.63 1.20 0.00 0.00 173.24 173.93 1pma s ILE 113 N 0.12 0.90 0.40 6.45 -1.09 -0.58 -1.49 121.20 125.91 1pma s ILE 113 Ca 0.12 -0.43 0.08 0.00 -2.23 0.00 0.00 60.65 58.19 1pma s ILE 113 Cb -0.12 -0.79 -0.03 0.00 -1.58 0.00 0.00 42.46 39.94 1pma s ILE 113 CO 0.01 0.27 0.33 1.51 -1.23 0.00 0.00 174.94 175.83 1pma s ASP 114 N 0.13 4.99 0.11 3.58 1.47 -0.51 -2.09 116.67 124.36 1pma s ASP 114 Ca -0.03 -0.74 0.07 0.00 1.18 0.00 0.00 52.55 53.03 1pma s ASP 114 Cb -0.09 -0.63 0.37 0.00 -0.34 0.00 0.00 42.92 42.23 1pma s ASP 114 CO 0.01 -0.57 1.17 0.00 0.68 0.00 0.00 175.17 176.46 1pma n ALA 115 N -1.46 0.93 -0.49 2.11 0.00 -1.19 -0.87 120.51 119.55 1pma n ALA 115 Ca 0.02 0.06 0.10 0.00 0.00 0.00 0.00 53.44 53.62 1pma n ALA 115 Cb 0.62 -1.02 0.31 0.00 0.00 0.00 0.00 19.45 19.36 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 -1.55 2.68 -0.99 0.00 0.00 -1.26 -4.47 120.51 114.91 1pma n ALA 116 Ca -0.00 -1.47 0.00 0.00 0.00 0.00 0.00 53.44 51.97 1pma n ALA 116 Cb 0.06 -0.87 0.00 0.00 0.00 0.00 0.00 19.45 18.64 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 1.11 0.47 3.69 0.00 0.00 -0.05 -4.12 105.19 106.29 1pma n GLY 117 Ca 0.23 -0.34 -0.42 0.00 0.00 0.00 0.00 46.02 45.49 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 -2.30 2.32 -0.04 -0.02 0.00 -1.25 -4.75 107.32 101.28 1pma s GLY 118 Ca 0.00 0.47 0.05 0.00 0.00 0.00 0.00 44.72 45.24 1pma s GLY 118 CO 0.00 1.99 -0.21 -0.45 0.00 0.00 0.00 173.10 174.43 1pma s SER 119 N 1.20 2.53 -0.18 1.64 0.15 -1.26 -1.42 113.70 116.36 1pma s SER 119 Ca 0.51 -0.41 -0.14 0.00 0.70 0.00 0.00 55.95 56.60 1pma s SER 119 Cb -0.21 -0.62 0.05 0.00 -1.71 0.00 0.00 66.02 63.54 1pma s SER 119 CO 0.20 0.21 0.47 0.54 1.20 0.00 0.00 173.24 175.86 1pma s VAL 120 N -0.14 -0.01 -0.10 4.45 0.11 -0.56 -4.99 120.40 119.16 1pma s VAL 120 Ca -0.01 0.03 -0.09 0.00 -2.93 0.00 0.00 61.98 58.98 1pma s VAL 120 Cb -0.12 -0.67 -0.04 0.00 -1.53 0.00 0.00 36.38 34.02 1pma s VAL 120 CO 0.02 0.01 0.19 -0.70 -3.33 0.00 0.00 175.10 171.29 1pma s GLU 121 N 0.69 3.57 0.32 1.54 2.12 -1.26 0.15 118.70 125.83 1pma s GLU 121 Ca -0.04 -0.03 0.05 0.00 0.36 0.00 0.00 54.97 55.31 1pma s GLU 121 Cb -0.05 -3.21 -0.03 0.00 0.26 0.00 0.00 34.13 31.10 1pma s GLU 121 CO -0.05 0.74 0.22 0.34 -0.54 0.00 0.00 175.26 175.97 1pma s ASP 122 N -0.96 1.65 0.00 -1.70 2.15 -0.93 -4.99 116.67 111.89 1pma s ASP 122 Ca 0.16 -1.68 0.28 0.00 0.43 0.00 0.00 52.55 51.74 1pma s ASP 122 Cb -0.13 0.51 1.00 0.00 -0.30 0.00 0.00 42.92 44.00 1pma s ASP 122 CO 0.05 -1.00 1.72 2.30 -0.17 0.00 0.00 175.17 178.08 1pma n ILE 123 N -0.62 0.00 0.00 4.11 -0.00 -1.26 -4.38 119.36 117.21 1pma n ILE 123 Ca 0.04 -0.11 0.00 0.00 -0.00 0.00 0.00 62.75 62.68 1pma n ILE 123 Cb 0.63 0.18 0.00 0.00 -0.00 0.00 0.00 39.64 40.45 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 -0.72 0.00 -3.57 4.28 0.18 -1.26 -1.22 117.16 114.85 1pma n TYR 124 Ca 0.14 0.00 -0.09 0.00 1.88 0.00 0.00 57.90 59.83 1pma n TYR 124 Cb 0.31 0.00 -0.04 0.00 -0.38 0.00 0.00 39.34 39.23 1pma n TYR 124 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 1pma s ALA 125 N -2.00 -1.94 0.37 -3.48 0.00 -0.77 -5.01 121.76 108.92 1pma s ALA 125 Ca 0.00 1.52 0.08 0.00 0.00 0.00 0.00 51.96 53.56 1pma s ALA 125 Cb 0.00 -0.53 -0.06 0.00 0.00 0.00 0.00 23.12 22.53 1pma s ALA 125 CO 0.00 -0.39 0.02 0.45 0.00 0.00 0.00 175.76 175.84 1pma s SER 126 N -1.43 4.08 0.05 0.00 0.15 -1.26 -1.74 113.70 113.55 1pma s SER 126 Ca 0.01 -1.12 -0.11 0.00 0.70 0.00 0.00 55.95 55.43 1pma s SER 126 Cb -0.01 -0.46 0.01 0.00 -1.71 0.00 0.00 66.02 63.85 1pma s SER 126 CO -0.01 -0.33 0.23 0.28 1.20 0.00 0.00 173.24 174.61 1pma s THR 127 N -2.59 0.11 0.00 6.45 -1.32 -0.63 -4.95 115.64 112.70 1pma s THR 127 Ca 0.35 -0.87 0.00 0.00 -1.21 0.00 0.00 61.69 59.97 1pma s THR 127 Cb 0.03 -0.99 0.00 0.00 -1.51 0.00 0.00 72.50 70.03 1pma s THR 127 CO 0.19 -0.48 0.00 0.61 -2.21 0.00 0.00 174.62 172.73 1pma n GLY 128 N 0.52 0.47 0.35 6.08 0.00 -1.26 -0.99 105.19 110.36 1pma n GLY 128 Ca -0.18 -2.12 0.21 0.00 0.00 0.00 0.00 46.02 43.93 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 0.60 -0.59 1.61 0.87 -0.37 -0.81 113.55 114.86 1pma h SER 129 Ca 0.00 0.15 0.00 0.00 -1.23 0.00 0.00 61.79 60.71 1pma h SER 129 Cb 0.00 0.07 0.00 0.00 -0.44 0.00 0.00 62.40 62.03 1pma h SER 129 CO 0.00 0.01 0.00 0.61 -0.53 0.00 0.00 176.83 176.92 1pma n GLY 130 N -1.32 2.72 0.35 5.77 0.00 -1.00 -4.72 105.19 106.99 1pma n GLY 130 Ca 0.29 -0.84 -0.09 0.00 0.00 0.00 0.00 46.02 45.38 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 3.85 -1.16 -0.47 1.61 0.02 -1.35 -2.95 113.55 113.09 1pma h SER 131 Ca 0.00 0.19 0.10 0.00 -0.84 0.00 0.00 61.79 61.23 1pma h SER 131 Cb 1.63 0.52 -0.10 0.00 0.14 0.00 0.00 62.40 64.60 1pma h SER 131 CO 0.34 -0.35 -0.19 -0.65 -1.14 0.00 0.00 176.83 174.84 1pma h PRO 132 N -0.32 -0.08 0.05 3.45 0.11 -1.84 0.32 132.00 133.68 1pma h PRO 132 Ca 0.14 0.01 0.03 0.00 0.11 0.00 0.00 66.00 66.28 1pma h PRO 132 Cb 0.56 0.02 -0.05 0.00 0.11 0.00 0.00 31.00 31.64 1pma h PRO 132 CO -0.49 -0.05 -0.37 0.74 -0.21 0.00 0.00 178.00 177.61 1pma h PHE 133 N -0.08 -1.03 -0.62 0.65 0.04 -1.90 0.20 116.94 114.19 1pma h PHE 133 Ca 0.22 0.03 0.02 0.00 2.80 0.00 0.00 57.97 61.04 1pma h PHE 133 Cb 0.43 0.45 -0.04 0.00 2.20 0.00 0.00 35.95 38.99 1pma h PHE 133 CO -0.46 -0.46 0.39 -0.24 -0.60 0.00 0.00 178.31 176.94 1pma h VAL 134 N -0.55 1.11 -0.80 -0.55 3.04 -1.33 0.13 116.25 117.30 1pma h VAL 134 Ca 0.04 -0.27 0.22 0.00 -1.01 0.00 0.00 66.70 65.69 1pma h VAL 134 Cb 0.62 0.25 -0.04 0.00 -2.01 0.00 0.00 31.29 30.11 1pma h VAL 134 CO -0.26 0.14 0.57 1.88 -1.01 0.00 0.00 177.57 178.89 1pma h TYR 135 N 0.79 0.07 0.40 3.17 0.05 0.12 0.85 116.97 122.42 1pma h TYR 135 Ca 0.24 0.00 -0.02 0.00 0.05 0.00 0.00 58.73 59.01 1pma h TYR 135 Cb -0.02 -0.02 0.00 0.00 1.01 0.00 0.00 36.73 37.70 1pma h TYR 135 CO -0.04 0.02 -0.19 0.78 -1.05 0.00 0.00 178.16 177.67 1pma h GLY 136 N 0.05 -0.56 1.06 3.88 0.00 0.21 0.69 103.07 108.41 1pma h GLY 136 Ca 0.39 0.21 0.02 0.00 0.00 0.00 0.00 47.33 47.94 1pma h GLY 136 CO -0.03 -0.20 0.61 -0.39 0.00 0.00 0.00 176.54 176.53 1pma h VAL 137 N -0.99 1.21 0.19 4.60 -1.51 -0.99 0.51 116.25 119.27 1pma h VAL 137 Ca -0.05 -0.42 -0.01 0.00 -1.23 0.00 0.00 66.70 64.99 1pma h VAL 137 Cb 0.54 -0.12 0.00 0.00 -2.13 0.00 0.00 31.29 29.58 1pma h VAL 137 CO 0.09 0.22 -0.09 0.25 -1.23 0.00 0.00 177.57 176.81 1pma h LEU 138 N 1.22 -0.22 -2.61 4.19 5.85 -0.85 0.38 115.31 123.27 1pma h LEU 138 Ca 0.35 -0.04 -0.00 0.00 0.84 0.00 0.00 57.88 59.02 1pma h LEU 138 Cb -0.10 0.06 -0.00 0.00 0.37 0.00 0.00 40.66 40.99 1pma h LEU 138 CO -0.08 -0.10 -0.01 -0.08 -0.34 0.00 0.00 178.44 177.83 1pma h GLU 139 N -0.32 0.00 0.17 1.25 4.57 -0.33 -0.05 114.58 119.87 1pma h GLU 139 Ca -0.03 0.00 -0.35 0.00 -1.18 0.00 0.00 59.36 57.80 1pma h GLU 139 Cb 0.25 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.84 1pma h GLU 139 CO 0.04 0.01 -1.82 1.03 -1.18 0.00 0.00 179.01 177.09 1pma h SER 140 N 0.00 0.55 0.00 1.04 0.87 0.96 -3.43 113.55 113.53 1pma h SER 140 Ca -0.00 -0.92 0.00 0.00 -1.23 0.00 0.00 61.79 59.64 1pma h SER 140 Cb 0.11 -0.18 0.00 0.00 -0.44 0.00 0.00 62.40 61.89 1pma h SER 140 CO 0.00 1.79 0.00 0.00 -0.53 0.00 0.00 176.83 178.09 1pma n GLN 141 N -3.55 2.04 -2.27 2.24 6.02 0.12 -5.06 117.38 116.92 1pma n GLN 141 Ca -0.26 -0.23 -0.41 0.00 -0.01 0.00 0.00 57.00 56.09 1pma n GLN 141 Cb 1.07 -0.69 -0.03 0.00 1.02 0.00 0.00 30.24 31.61 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 -0.36 3.29 -0.12 1.08 5.04 -0.05 -5.02 117.35 121.21 1pma s TYR 142 Ca 0.00 1.46 -0.05 0.00 -2.44 0.00 0.00 57.07 56.04 1pma s TYR 142 Cb 0.00 -3.52 0.06 0.00 0.35 0.00 0.00 41.96 38.85 1pma s TYR 142 CO 0.00 -1.40 0.26 0.45 -1.34 0.00 0.00 175.55 173.51 1pma s SER 143 N -0.36 0.03 0.30 4.32 0.15 -1.26 -5.00 113.70 111.89 1pma s SER 143 Ca 0.50 0.56 0.17 0.00 0.70 0.00 0.00 55.95 57.88 1pma s SER 143 Cb -0.36 0.55 0.95 0.00 -1.71 0.00 0.00 66.02 65.45 1pma s SER 143 CO 0.44 -0.20 1.49 -1.84 1.20 0.00 0.00 173.24 174.33 1pma n GLU 144 N 4.77 0.11 -0.67 5.44 -0.00 -1.26 -1.67 120.64 127.36 1pma n GLU 144 Ca -0.16 0.60 -0.07 0.00 -0.00 0.00 0.00 57.16 57.53 1pma n GLU 144 Cb 0.51 -1.99 0.17 0.00 -0.00 0.00 0.00 31.44 30.13 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 -2.14 2.42 -2.88 3.44 5.02 -1.26 -4.06 118.16 118.70 1pma n LYS 145 Ca -0.01 -1.87 -0.26 0.00 -2.02 0.00 0.00 58.31 54.14 1pma n LYS 145 Cb 0.14 -1.82 -0.00 0.00 -0.02 0.00 0.00 35.03 33.32 1pma n LYS 145 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 1pma s MET 146 N -2.04 3.50 0.39 1.97 -1.94 -0.67 -5.09 119.30 115.41 1pma s MET 146 Ca 0.34 0.00 0.03 0.00 -1.71 0.00 0.00 55.69 54.35 1pma s MET 146 Cb 0.28 -2.47 -0.01 0.00 2.01 0.00 0.00 34.83 34.64 1pma s MET 146 CO 0.08 -0.10 0.57 0.95 -0.01 0.00 0.00 175.02 176.51 1pma s THR 147 N -2.60 4.17 0.64 2.05 -4.23 -1.26 -4.68 115.64 109.72 1pma s THR 147 Ca 0.45 -0.70 0.36 0.00 -1.18 0.00 0.00 61.69 60.62 1pma s THR 147 Cb -0.10 -3.50 0.39 0.00 1.34 0.00 0.00 72.50 70.63 1pma s THR 147 CO 0.42 -0.28 2.23 1.62 -0.54 0.00 0.00 174.62 178.07 1pma h VAL 148 N 0.65 0.21 0.13 2.29 3.04 -1.98 -0.31 116.25 120.27 1pma h VAL 148 Ca -0.47 0.00 -0.27 0.00 -1.01 0.00 0.00 66.70 64.96 1pma h VAL 148 Cb 1.25 0.92 0.00 0.00 -2.01 0.00 0.00 31.29 31.46 1pma h VAL 148 CO 0.56 0.00 -1.32 -0.78 -1.01 0.00 0.00 177.57 175.02 1pma h ASP 149 N 0.00 0.43 -0.46 3.17 1.82 -2.00 -2.94 116.42 116.44 1pma h ASP 149 Ca 0.02 -0.88 0.05 0.00 -0.39 0.00 0.00 57.03 55.82 1pma h ASP 149 Cb 0.19 -0.14 -0.04 0.00 0.68 0.00 0.00 39.33 40.02 1pma h ASP 149 CO -0.00 1.59 0.21 -0.33 -1.61 0.00 0.00 179.24 179.10 1pma h GLU 150 N -0.28 0.41 0.19 0.28 5.08 -1.72 -2.41 114.58 116.13 1pma h GLU 150 Ca -0.27 -0.02 0.01 0.00 -1.00 0.00 0.00 59.36 58.07 1pma h GLU 150 Cb 1.77 -0.09 -0.04 0.00 0.50 0.00 0.00 28.75 30.89 1pma h GLU 150 CO 0.09 0.27 -0.45 0.78 -1.00 0.00 0.00 179.01 178.70 1pma h GLY 151 N 0.42 -0.97 -0.07 -3.84 0.00 -1.19 0.46 103.07 97.87 1pma h GLY 151 Ca 0.21 0.54 0.27 0.00 0.00 0.00 0.00 47.33 48.34 1pma h GLY 151 CO -0.17 -0.29 0.69 -0.24 0.00 0.00 0.00 176.54 176.53 1pma h VAL 152 N -0.73 0.53 0.45 4.60 3.04 -1.31 0.14 116.25 122.97 1pma h VAL 152 Ca 0.00 -0.10 -0.02 0.00 -1.01 0.00 0.00 66.70 65.57 1pma h VAL 152 Cb 0.73 0.21 0.00 0.00 -2.01 0.00 0.00 31.29 30.22 1pma h VAL 152 CO -0.22 0.05 -0.21 0.44 -1.01 0.00 0.00 177.57 176.62 1pma h ASP 153 N 0.30 -0.51 -0.89 3.17 5.19 -0.59 -2.39 116.42 120.70 1pma h ASP 153 Ca 0.55 -0.04 0.20 0.00 -0.62 0.00 0.00 57.03 57.12 1pma h ASP 153 Cb 1.59 0.13 -0.17 0.00 0.18 0.00 0.00 39.33 41.07 1pma h ASP 153 CO -0.20 -0.08 -0.14 0.25 -3.12 0.00 0.00 179.24 175.95 1pma h LEU 154 N -1.11 -0.69 -0.27 1.55 5.85 0.76 0.52 115.31 121.92 1pma h LEU 154 Ca -0.06 0.26 0.03 0.00 0.84 0.00 0.00 57.88 58.94 1pma h LEU 154 Cb 0.51 0.51 -0.03 0.00 0.37 0.00 0.00 40.66 42.03 1pma h LEU 154 CO 0.10 -0.29 0.10 0.58 -0.34 0.00 0.00 178.44 178.59 1pma h VAL 155 N 0.02 0.94 -0.81 1.05 2.07 -1.09 0.19 116.25 118.61 1pma h VAL 155 Ca 0.46 -0.08 0.05 0.00 0.82 0.00 0.00 66.70 67.95 1pma h VAL 155 Cb 0.78 0.69 -0.06 0.00 -1.52 0.00 0.00 31.29 31.19 1pma h VAL 155 CO -0.88 0.04 0.50 0.40 0.02 0.00 0.00 177.57 177.65 1pma h ILE 156 N 0.23 1.06 0.89 4.57 2.04 0.51 -2.22 117.51 124.59 1pma h ILE 156 Ca 0.12 -0.32 -0.04 0.00 1.00 0.00 0.00 64.86 65.61 1pma h ILE 156 Cb 0.07 0.03 0.01 0.00 -0.74 0.00 0.00 36.82 36.20 1pma h ILE 156 CO -0.11 0.17 -0.43 0.03 0.00 0.00 0.00 178.15 177.81 1pma h ARG 157 N 0.94 -1.16 -0.45 2.37 3.08 -0.33 -1.38 114.38 117.45 1pma h ARG 157 Ca 0.35 0.08 0.07 0.00 0.07 0.00 0.00 59.98 60.55 1pma h ARG 157 Cb 0.12 0.26 -0.09 0.00 0.08 0.00 0.00 29.97 30.34 1pma h ARG 157 CO -0.15 -0.77 -0.43 0.00 -1.07 0.00 0.00 179.97 177.54 1pma h ALA 158 N -1.11 -0.41 -0.87 0.04 0.00 -0.79 0.37 119.26 116.49 1pma h ALA 158 Ca -0.12 0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 1pma h ALA 158 Cb 0.92 0.91 -0.04 0.00 0.00 0.00 0.00 17.79 19.58 1pma h ALA 158 CO 0.20 -0.86 0.46 0.82 0.00 0.00 0.00 179.25 179.87 1pma h ILE 159 N -0.30 1.26 -0.94 0.00 2.04 -1.42 0.76 117.51 118.90 1pma h ILE 159 Ca 0.15 -0.67 -0.01 0.00 1.00 0.00 0.00 64.86 65.33 1pma h ILE 159 Cb 0.58 0.10 -0.05 0.00 -0.74 0.00 0.00 36.82 36.71 1pma h ILE 159 CO -0.60 0.30 0.57 0.28 0.00 0.00 0.00 178.15 178.69 1pma h SER 160 N 1.23 1.13 0.80 1.72 0.02 0.14 0.26 113.55 118.85 1pma h SER 160 Ca 0.31 -0.07 -0.03 0.00 -0.84 0.00 0.00 61.79 61.15 1pma h SER 160 Cb 0.06 -0.29 -0.00 0.00 0.14 0.00 0.00 62.40 62.31 1pma h SER 160 CO -0.05 0.87 -0.50 0.00 -1.14 0.00 0.00 176.83 176.01 1pma h ALA 161 N 1.31 -1.28 -1.08 3.77 0.00 0.77 -1.14 119.26 121.62 1pma h ALA 161 Ca 0.34 -0.25 0.29 0.00 0.00 0.00 0.00 54.91 55.28 1pma h ALA 161 Cb -0.05 0.62 -0.09 0.00 0.00 0.00 0.00 17.79 18.27 1pma h ALA 161 CO -0.06 -1.24 0.71 0.00 0.00 0.00 0.00 179.25 178.66 1pma h ALA 162 N -1.17 2.42 0.00 0.00 0.00 -0.17 0.40 119.26 120.75 1pma h ALA 162 Ca -0.11 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 1pma h ALA 162 Cb 0.98 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.82 1pma h ALA 162 CO 0.10 -0.83 -0.07 0.87 0.00 0.00 0.00 179.25 179.32 1pma h LYS 163 N 0.30 0.00 0.03 0.00 1.57 0.77 -2.29 116.57 116.96 1pma h LYS 163 Ca 0.60 0.00 -0.27 0.00 -1.87 0.00 0.00 60.65 59.11 1pma h LYS 163 Cb 1.70 0.00 0.02 0.00 0.08 0.00 0.00 32.23 34.03 1pma h LYS 163 CO -0.25 0.07 -1.07 1.96 -0.57 0.00 0.00 179.45 179.59 1pma h GLN 164 N 0.00 0.66 -0.03 3.15 1.08 0.12 -3.37 115.11 116.73 1pma h GLN 164 Ca -0.00 -0.76 0.00 0.00 -1.45 0.00 0.00 58.65 56.44 1pma h GLN 164 Cb 0.14 0.23 0.00 0.00 -0.05 0.00 0.00 27.48 27.80 1pma h GLN 164 CO 0.01 1.33 -0.05 0.54 -0.95 0.00 0.00 178.83 179.71 1pma n ARG 165 N -3.87 2.16 -3.70 1.46 3.00 -1.12 -4.85 116.66 109.74 1pma n ARG 165 Ca -0.12 -1.76 -0.29 0.00 -0.01 0.00 0.00 57.85 55.67 1pma n ARG 165 Cb 0.90 -1.46 -0.15 0.00 0.00 0.00 0.00 32.46 31.74 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 -2.05 3.70 0.33 0.55 2.15 -0.88 -4.98 116.67 115.50 1pma s ASP 166 Ca 0.28 -1.39 0.20 0.00 0.43 0.00 0.00 52.55 52.06 1pma s ASP 166 Cb 0.20 -0.72 1.10 0.00 -0.30 0.00 0.00 42.92 43.20 1pma s ASP 166 CO 0.33 -0.39 1.59 -1.54 -0.17 0.00 0.00 175.17 174.99 1pma n SER 167 N 4.96 0.52 0.23 -0.34 3.41 -1.26 -0.82 113.62 120.33 1pma n SER 167 Ca -0.04 0.72 0.12 0.00 -0.26 0.00 0.00 58.87 59.41 1pma n SER 167 Cb 0.43 -0.76 0.36 0.00 -0.26 0.00 0.00 64.21 63.98 1pma n SER 167 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1pma h ALA 168 N 1.79 0.97 -3.18 7.33 0.00 -1.93 -3.45 119.26 120.79 1pma h ALA 168 Ca 0.00 -0.08 -0.63 0.00 0.00 0.00 0.00 54.91 54.20 1pma h ALA 168 Cb 0.16 -0.01 -0.10 0.00 0.00 0.00 0.00 17.79 17.83 1pma h ALA 168 CO 0.00 0.11 -0.63 -1.12 0.00 0.00 0.00 179.25 177.61 1pma s SER 169 N -6.07 5.25 0.00 0.00 0.01 0.00 -0.57 113.70 112.32 1pma s SER 169 Ca 0.04 -0.13 0.00 0.00 1.31 0.00 0.00 55.95 57.17 1pma s SER 169 Cb 0.07 -1.32 0.00 0.00 0.21 0.00 0.00 66.02 64.99 1pma s SER 169 CO 0.63 0.15 0.00 0.61 0.41 0.00 0.00 173.24 175.05 1pma n GLY 170 N 0.37 -1.54 2.55 3.44 0.00 -1.26 -4.84 105.19 103.91 1pma n GLY 170 Ca -0.10 -1.04 0.00 0.00 0.00 0.00 0.00 46.02 44.88 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 -0.19 -2.32 3.71 -0.02 0.00 -1.26 -2.13 105.19 102.98 1pma n GLY 171 Ca 0.00 -1.56 -0.42 0.00 0.00 0.00 0.00 46.02 44.04 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 -0.59 4.22 0.02 1.61 -2.45 -1.26 -4.62 119.30 116.23 1pma s MET 172 Ca 0.00 2.33 -0.21 0.00 -1.25 0.00 0.00 55.69 56.56 1pma s MET 172 Cb 0.00 -3.22 -0.06 0.00 1.25 0.00 0.00 34.83 32.81 1pma s MET 172 CO 0.00 -0.60 0.62 -1.50 1.05 0.00 0.00 175.02 174.59 1pma s ILE 173 N 1.31 4.83 0.01 10.11 -1.16 -1.26 -3.57 121.20 131.48 1pma s ILE 173 Ca 0.70 1.31 0.04 0.00 -0.51 0.00 0.00 60.65 62.19 1pma s ILE 173 Cb -0.43 -3.96 -0.02 0.00 0.61 0.00 0.00 42.46 38.67 1pma s ILE 173 CO 0.31 0.44 -0.13 1.51 -2.81 0.00 0.00 174.94 174.26 1pma s ASP 174 N -0.36 1.48 0.18 4.50 1.47 -0.29 -4.90 116.67 118.75 1pma s ASP 174 Ca 0.32 -0.33 0.08 0.00 1.18 0.00 0.00 52.55 53.79 1pma s ASP 174 Cb -0.19 -0.13 -0.04 0.00 -0.34 0.00 0.00 42.92 42.22 1pma s ASP 174 CO 0.19 0.08 -0.16 0.54 0.68 0.00 0.00 175.17 176.50 1pma s VAL 175 N -0.57 1.71 -0.04 2.11 0.11 -1.26 -1.83 120.40 120.63 1pma s VAL 175 Ca 0.03 -2.04 0.01 0.00 -2.93 0.00 0.00 61.98 57.05 1pma s VAL 175 Cb -0.06 -1.90 0.02 0.00 -1.53 0.00 0.00 36.38 32.91 1pma s VAL 175 CO 0.00 -0.47 -0.02 0.00 -3.33 0.00 0.00 175.10 171.28 1pma s ALA 176 N -2.52 0.52 -0.07 1.54 0.00 -0.26 -1.78 121.76 119.20 1pma s ALA 176 Ca 0.18 0.04 0.02 0.00 0.00 0.00 0.00 51.96 52.20 1pma s ALA 176 Cb -0.03 -0.39 -0.03 0.00 0.00 0.00 0.00 23.12 22.67 1pma s ALA 176 CO 0.06 -0.06 -0.12 0.54 0.00 0.00 0.00 175.76 176.18 1pma s VAL 177 N 1.00 3.24 -0.11 0.00 0.11 0.28 -1.10 120.40 123.83 1pma s VAL 177 Ca -0.10 -0.64 0.01 0.00 -2.93 0.00 0.00 61.98 58.32 1pma s VAL 177 Cb -0.14 -2.30 0.02 0.00 -1.53 0.00 0.00 36.38 32.43 1pma s VAL 177 CO -0.01 0.58 -0.12 -0.51 -3.33 0.00 0.00 175.10 171.71 1pma s ILE 178 N -0.55 1.30 0.13 7.04 2.07 0.21 -0.77 121.20 130.63 1pma s ILE 178 Ca 0.08 -0.51 0.05 0.00 -1.41 0.00 0.00 60.65 58.86 1pma s ILE 178 Cb -0.12 -1.22 -0.04 0.00 0.13 0.00 0.00 42.46 41.21 1pma s ILE 178 CO 0.02 0.40 -0.12 0.28 -1.91 0.00 0.00 174.94 173.61 1pma s THR 179 N 1.18 1.21 0.28 4.00 -1.32 -0.04 -1.93 115.64 119.03 1pma s THR 179 Ca -0.04 -1.84 -0.01 0.00 -1.21 0.00 0.00 61.69 58.59 1pma s THR 179 Cb -0.14 -1.63 0.16 0.00 -1.51 0.00 0.00 72.50 69.39 1pma s THR 179 CO -0.03 -0.57 1.84 -0.09 -2.21 0.00 0.00 174.62 173.55 1pma h ARG 180 N 3.22 0.86 0.67 7.08 9.65 -1.85 1.18 114.38 135.20 1pma h ARG 180 Ca -0.38 -0.16 -0.03 0.00 -1.10 0.00 0.00 59.98 58.31 1pma h ARG 180 Cb 1.19 -0.14 -0.01 0.00 -1.39 0.00 0.00 29.97 29.63 1pma h ARG 180 CO 0.56 0.75 -0.48 -0.22 2.80 0.00 0.00 179.97 183.38 1pma h LYS 181 N 0.83 -1.06 -0.01 0.20 1.63 -1.96 -3.29 116.57 112.91 1pma h LYS 181 Ca 0.19 0.07 0.00 0.00 -0.85 0.00 0.00 60.65 60.06 1pma h LYS 181 Cb 0.26 0.24 0.00 0.00 -0.60 0.00 0.00 32.23 32.13 1pma h LYS 181 CO -0.01 -0.71 -0.41 -0.25 -3.45 0.00 0.00 179.45 174.63 1pma n ASP 182 N -5.46 1.70 0.00 4.20 8.00 -1.20 -5.09 116.55 118.70 1pma n ASP 182 Ca -0.13 -1.35 0.00 0.00 0.71 0.00 0.00 54.79 54.02 1pma n ASP 182 Cb 0.47 0.51 0.00 0.00 -0.02 0.00 0.00 41.12 42.08 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 1.25 -1.03 3.59 0.44 0.00 0.41 -4.68 105.19 105.16 1pma n GLY 183 Ca 0.07 -1.25 -0.43 0.00 0.00 0.00 0.00 46.02 44.42 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 3.02 -0.11 1.61 6.14 -1.18 -0.86 117.35 125.97 1pma s TYR 184 Ca 0.00 0.64 0.02 0.00 0.64 0.00 0.00 57.07 58.37 1pma s TYR 184 Cb 0.00 -3.77 0.01 0.00 0.42 0.00 0.00 41.96 38.63 1pma s TYR 184 CO 0.00 -0.92 -0.17 0.54 0.64 0.00 0.00 175.55 175.63 1pma s VAL 185 N 3.58 1.65 -0.29 3.14 0.11 0.05 -4.99 120.40 123.66 1pma s VAL 185 Ca 0.38 -0.74 -0.17 0.00 -2.93 0.00 0.00 61.98 58.51 1pma s VAL 185 Cb -0.11 -1.49 -0.02 0.00 -1.53 0.00 0.00 36.38 33.23 1pma s VAL 185 CO 0.21 0.47 0.49 -1.58 -3.33 0.00 0.00 175.10 171.36 1pma s GLN 186 N 0.87 3.90 0.42 1.54 0.74 -1.26 -0.55 119.66 125.32 1pma s GLN 186 Ca -0.08 0.10 -0.25 0.00 0.05 0.00 0.00 55.36 55.18 1pma s GLN 186 Cb -0.15 -3.71 -0.10 0.00 1.10 0.00 0.00 33.01 30.15 1pma s GLN 186 CO -0.00 -0.44 1.24 1.28 -0.55 0.00 0.00 175.29 176.82 1pma n LEU 187 N 5.58 3.87 -4.72 3.68 4.32 -0.73 -4.93 117.00 124.07 1pma n LEU 187 Ca -0.05 1.10 -0.42 0.00 -0.02 0.00 0.00 56.01 56.62 1pma n LEU 187 Cb 0.50 -1.48 -0.03 0.00 -1.62 0.00 0.00 43.42 40.78 1pma n LEU 187 CO 0.41 -0.74 1.15 -2.84 -1.22 0.00 0.00 177.39 174.16 1pma s PRO 188 N -2.18 4.26 0.28 3.23 0.02 -1.26 -4.79 135.00 134.55 1pma s PRO 188 Ca 0.61 2.23 -0.07 0.00 0.02 0.00 0.00 61.00 63.78 1pma s PRO 188 Cb -0.51 -3.21 0.47 0.00 0.02 0.00 0.00 34.50 31.27 1pma s PRO 188 CO 0.58 -0.53 1.57 0.00 -0.33 0.00 0.00 177.00 178.29 1pma h THR 189 N 4.15 0.05 -0.43 0.99 1.03 -1.98 0.16 112.91 116.88 1pma h THR 189 Ca -0.42 -0.00 0.02 0.00 -0.01 0.00 0.00 66.41 66.00 1pma h THR 189 Cb 1.21 0.05 -0.03 0.00 -1.07 0.00 0.00 68.15 68.30 1pma h THR 189 CO 0.89 0.00 0.24 -2.24 -0.01 0.00 0.00 175.52 174.40 1pma h ASP 190 N 0.00 0.38 -0.99 0.00 2.03 -1.99 -0.57 116.42 115.29 1pma h ASP 190 Ca 0.47 0.01 0.06 0.00 -0.73 0.00 0.00 57.03 56.84 1pma h ASP 190 Cb 0.77 -0.07 -0.07 0.00 -0.83 0.00 0.00 39.33 39.14 1pma h ASP 190 CO -0.96 0.27 0.64 -0.61 -1.03 0.00 0.00 179.24 177.55 1pma h GLN 191 N 0.49 1.14 0.38 4.15 4.15 -1.10 0.28 115.11 124.60 1pma h GLN 191 Ca 0.18 -0.07 -0.02 0.00 0.77 0.00 0.00 58.65 59.51 1pma h GLN 191 Cb 0.04 -0.26 0.00 0.00 0.21 0.00 0.00 27.48 27.48 1pma h GLN 191 CO -0.10 0.76 -0.18 0.82 -1.93 0.00 0.00 178.83 178.20 1pma h ILE 192 N 1.18 0.61 -0.05 2.39 2.04 -0.67 -2.40 117.51 120.61 1pma h ILE 192 Ca 0.42 -0.42 0.01 0.00 1.00 0.00 0.00 64.86 65.88 1pma h ILE 192 Cb 0.14 0.81 -0.00 0.00 -0.74 0.00 0.00 36.82 37.02 1pma h ILE 192 CO -0.16 0.08 0.04 1.05 0.00 0.00 0.00 178.15 179.15 1pma h GLU 193 N -0.76 0.00 0.65 2.37 4.11 -0.58 -1.15 114.58 119.23 1pma h GLU 193 Ca -0.05 0.00 -0.03 0.00 0.07 0.00 0.00 59.36 59.35 1pma h GLU 193 Cb 0.52 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.77 1pma h GLU 193 CO 0.09 0.00 -0.31 1.03 0.07 0.00 0.00 179.01 179.88 1pma h SER 194 N 0.00 -0.74 -0.73 3.06 0.87 -0.27 -1.37 113.55 114.37 1pma h SER 194 Ca 0.02 0.01 0.13 0.00 -1.23 0.00 0.00 61.79 60.72 1pma h SER 194 Cb 0.10 0.19 -0.05 0.00 -0.44 0.00 0.00 62.40 62.20 1pma h SER 194 CO -0.00 -0.50 0.48 0.03 -0.53 0.00 0.00 176.83 176.31 1pma h ARG 195 N -0.91 0.45 0.73 2.24 3.08 -0.73 0.26 114.38 119.51 1pma h ARG 195 Ca -0.09 -0.03 -0.03 0.00 0.07 0.00 0.00 59.98 59.90 1pma h ARG 195 Cb 0.68 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.63 1pma h ARG 195 CO 0.15 0.30 -0.40 0.82 -1.07 0.00 0.00 179.97 179.77 1pma h ILE 196 N 0.47 0.19 -0.04 2.04 2.04 -0.90 0.11 117.51 121.42 1pma h ILE 196 Ca 0.35 0.00 0.04 0.00 1.00 0.00 0.00 64.86 66.24 1pma h ILE 196 Cb 0.71 0.19 -0.06 0.00 -0.74 0.00 0.00 36.82 36.93 1pma h ILE 196 CO -0.11 0.00 -0.40 -0.09 0.00 0.00 0.00 178.15 177.55 1pma h ARG 197 N -1.04 -0.51 -0.78 2.37 2.43 0.02 -0.79 114.38 116.08 1pma h ARG 197 Ca -0.10 0.03 0.13 0.00 -0.81 0.00 0.00 59.98 59.24 1pma h ARG 197 Cb 0.82 0.12 -0.09 0.00 -0.42 0.00 0.00 29.97 30.40 1pma h ARG 197 CO 0.13 -0.34 0.37 -0.22 -1.51 0.00 0.00 179.97 178.40 1pma h LYS 198 N -0.53 0.55 0.00 0.20 3.64 -0.50 -0.95 116.57 118.98 1pma h LYS 198 Ca 0.06 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 1pma h LYS 198 Cb 0.63 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.32 1pma h LYS 198 CO -0.33 0.36 0.00 1.28 -2.27 0.00 0.00 179.45 178.49 1pma n LEU 199 N -4.91 0.00 -0.32 5.20 4.77 0.38 -4.84 117.00 117.28 1pma n LEU 199 Ca 0.15 0.40 -0.04 0.00 -0.03 0.00 0.00 56.01 56.49 1pma n LEU 199 Cb 0.38 -0.40 -0.02 0.00 -2.33 0.00 0.00 43.42 41.06 1pma n LEU 199 CO 0.21 -0.17 -0.04 0.61 -1.33 0.00 0.00 177.39 176.67 1pma n GLY 200 N 0.20 0.65 0.96 -0.72 0.00 -0.36 -5.03 105.19 100.90 1pma n GLY 200 Ca 0.06 -0.88 -0.07 0.00 0.00 0.00 0.00 46.02 45.14 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 -3.85 0.99 4.32 -0.59 -5.03 117.00 112.38 1pma n LEU 201 Ca -0.04 -0.44 -0.12 0.00 -0.02 0.00 0.00 56.01 55.39 1pma n LEU 201 Cb 0.16 -0.21 -0.10 0.00 -1.62 0.00 0.00 43.42 41.65 1pma n LEU 201 CO 0.06 -0.68 -0.15 -0.51 -1.22 0.00 0.00 177.39 174.89 1pma s ILE 202 N -1.16 0.06 0.00 -0.08 2.07 -1.26 -4.66 121.20 116.17 1pma s ILE 202 Ca 0.18 -0.54 0.00 0.00 -1.41 0.00 0.00 60.65 58.88 1pma s ILE 202 Cb -0.01 -0.42 0.00 0.00 0.13 0.00 0.00 42.46 42.16 1pma s ILE 202 CO 0.12 -0.30 0.00 -0.11 -1.91 0.00 0.00 174.94 172.75