#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nca s ILE 2 N 0.00 5.10 -0.05 5.09 1.01 -1.26 -3.35 121.20 127.74 1nca s ILE 2 Ca 0.00 1.12 0.01 0.00 0.00 0.00 0.00 60.65 61.78 1nca s ILE 2 Cb 0.00 -3.90 0.02 0.00 0.01 0.00 0.00 42.46 38.59 1nca s ILE 2 CO 0.00 0.22 -0.06 -1.10 0.00 0.00 0.00 174.94 174.00 1nca s GLN 3 N 1.20 1.02 -0.21 2.79 -1.52 -0.69 -4.95 119.66 117.30 1nca s GLN 3 Ca 0.29 -0.17 -0.01 0.00 -1.95 0.00 0.00 55.36 53.52 1nca s GLN 3 Cb -0.16 -0.97 0.02 0.00 -0.22 0.00 0.00 33.01 31.67 1nca s GLN 3 CO 0.12 -0.07 -0.12 -0.51 -0.25 0.00 0.00 175.29 174.46 1nca s LEU 4 N 0.90 2.69 -0.11 2.90 1.43 -1.26 -0.13 118.68 125.10 1nca s LEU 4 Ca -0.11 -0.67 0.01 0.00 -1.03 0.00 0.00 54.13 52.32 1nca s LEU 4 Cb -0.15 -1.60 -0.02 0.00 0.03 0.00 0.00 46.19 44.45 1nca s LEU 4 CO 0.01 -0.05 -0.13 0.54 0.23 0.00 0.00 176.35 176.94 1nca s VAL 5 N 1.34 3.06 0.36 -1.59 0.11 -0.74 -3.82 120.40 119.11 1nca s VAL 5 Ca 0.03 -0.68 0.08 0.00 -2.93 0.00 0.00 61.98 58.48 1nca s VAL 5 Cb -0.15 -2.26 -0.03 0.00 -1.53 0.00 0.00 36.38 32.42 1nca s VAL 5 CO -0.08 0.54 0.27 -1.10 -3.33 0.00 0.00 175.10 171.40 1nca s GLN 6 N 0.03 2.57 1.03 1.54 -0.21 -1.26 -1.73 119.66 121.63 1nca s GLN 6 Ca -0.04 -1.43 -0.12 0.00 0.02 0.00 0.00 55.36 53.78 1nca s GLN 6 Cb -0.14 -2.36 0.21 0.00 1.00 0.00 0.00 33.01 31.72 1nca s GLN 6 CO 0.04 0.03 1.07 -1.54 -2.12 0.00 0.00 175.29 172.78 1nca s SER 7 N -3.98 2.22 0.91 5.90 1.04 -0.69 -4.99 113.70 114.11 1nca s SER 7 Ca 0.42 1.44 -0.14 0.00 0.48 0.00 0.00 55.95 58.15 1nca s SER 7 Cb -0.04 -2.13 0.14 0.00 0.10 0.00 0.00 66.02 64.09 1nca s SER 7 CO 0.26 -3.42 1.20 -0.83 0.98 0.00 0.00 173.24 171.43 1nca s GLY 8 N -3.06 1.63 0.00 7.32 0.00 -1.26 -4.54 107.32 107.42 1nca s GLY 8 Ca 0.66 -0.77 -0.30 0.00 0.00 0.00 0.00 44.72 44.31 1nca s GLY 8 CO 0.60 -0.16 0.96 2.56 0.00 0.00 0.00 173.10 177.06 1nca s PRO 9 N -5.55 4.56 0.26 2.90 0.05 -1.26 -4.77 135.00 131.19 1nca s PRO 9 Ca 0.66 1.39 0.09 0.00 0.05 0.00 0.00 61.00 63.19 1nca s PRO 9 Cb -0.10 -3.45 -0.04 0.00 0.05 0.00 0.00 34.50 30.95 1nca s PRO 9 CO 0.52 -0.03 0.07 -1.21 0.05 0.00 0.00 177.00 176.40 1nca s GLU 10 N 0.94 2.52 -0.10 4.56 2.02 -0.86 -4.94 118.70 122.84 1nca s GLU 10 Ca 0.51 -1.28 -0.01 0.00 0.02 0.00 0.00 54.97 54.20 1nca s GLU 10 Cb -0.21 -2.31 -0.03 0.00 0.10 0.00 0.00 34.13 31.68 1nca s GLU 10 CO 0.27 0.38 -0.03 -1.17 0.02 0.00 0.00 175.26 174.73 1nca s LEU 11 N -3.73 3.37 -0.17 1.80 2.96 -1.26 -0.44 118.68 121.20 1nca s LEU 11 Ca 0.32 0.02 -0.14 0.00 -0.22 0.00 0.00 54.13 54.11 1nca s LEU 11 Cb -0.07 -1.77 0.05 0.00 0.50 0.00 0.00 46.19 44.90 1nca s LEU 11 CO 0.22 0.32 0.45 -0.54 -1.32 0.00 0.00 176.35 175.47 1nca s LYS 12 N -0.54 0.49 0.51 1.98 -0.14 -0.86 -4.96 119.74 116.23 1nca s LYS 12 Ca 0.09 0.70 -0.16 0.00 -1.36 0.00 0.00 55.97 55.23 1nca s LYS 12 Cb -0.12 0.17 -0.08 0.00 -1.68 0.00 0.00 37.83 36.12 1nca s LYS 12 CO 0.02 -0.09 0.97 0.21 -0.76 0.00 0.00 175.35 175.70 1nca s LYS 13 N 0.63 3.94 0.35 1.68 2.20 -1.25 -0.17 119.74 127.11 1nca s LYS 13 Ca -0.03 0.93 -0.26 0.00 -0.36 0.00 0.00 55.97 56.25 1nca s LYS 13 Cb -0.05 -2.15 -0.13 0.00 -1.51 0.00 0.00 37.83 34.00 1nca s LYS 13 CO -0.04 -0.26 0.95 -2.30 -0.36 0.00 0.00 175.35 173.34 1nca n PRO 14 N -1.57 1.25 0.00 4.03 -0.02 -1.26 -2.64 135.00 134.79 1nca n PRO 14 Ca 0.06 0.44 0.00 0.00 -2.02 0.00 0.00 63.50 61.99 1nca n PRO 14 Cb 0.54 -1.87 0.00 0.00 -0.02 0.00 0.00 33.50 32.15 1nca n PRO 14 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1nca n GLY 15 N 1.28 2.94 3.29 -1.23 0.00 -0.15 -4.92 105.19 106.39 1nca n GLY 15 Ca 0.10 -0.19 -0.31 0.00 0.00 0.00 0.00 46.02 45.62 1nca n GLY 15 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1nca s GLU 16 N 0.00 -3.04 0.14 1.61 2.02 -1.08 -3.47 118.70 114.88 1nca s GLU 16 Ca 0.00 0.14 0.10 0.00 0.02 0.00 0.00 54.97 55.23 1nca s GLU 16 Cb 0.00 -1.36 -0.04 0.00 0.10 0.00 0.00 34.13 32.83 1nca s GLU 16 CO 0.00 -4.95 -0.23 0.99 0.02 0.00 0.00 175.26 171.09 1nca s THR 17 N -2.24 2.04 0.01 3.63 2.01 -1.26 -0.58 115.64 119.24 1nca s THR 17 Ca 0.69 -1.78 0.01 0.00 0.31 0.00 0.00 61.69 60.92 1nca s THR 17 Cb -0.13 -1.86 -0.01 0.00 0.01 0.00 0.00 72.50 70.51 1nca s THR 17 CO 0.58 -0.07 -0.03 0.54 -0.69 0.00 0.00 174.62 174.95 1nca s VAL 18 N -1.38 0.22 -0.22 3.82 0.11 0.01 -4.99 120.40 117.97 1nca s VAL 18 Ca 0.13 -0.44 0.02 0.00 -2.93 0.00 0.00 61.98 58.76 1nca s VAL 18 Cb -0.09 -0.25 0.04 0.00 -1.53 0.00 0.00 36.38 34.55 1nca s VAL 18 CO 0.06 -0.14 -0.13 -0.75 -3.33 0.00 0.00 175.10 170.81 1nca s LYS 19 N -0.62 2.39 -0.27 1.54 2.20 -1.26 -2.01 119.74 121.72 1nca s LYS 19 Ca -0.05 -1.07 -0.11 0.00 -0.36 0.00 0.00 55.97 54.39 1nca s LYS 19 Cb -0.04 -2.68 -0.05 0.00 -1.51 0.00 0.00 37.83 33.55 1nca s LYS 19 CO -0.00 -0.43 0.18 0.42 -0.36 0.00 0.00 175.35 175.15 1nca s ILE 20 N 1.23 5.30 0.22 5.43 1.01 0.08 -4.95 121.20 129.52 1nca s ILE 20 Ca -0.03 0.16 -0.04 0.00 0.00 0.00 0.00 60.65 60.75 1nca s ILE 20 Cb -0.17 -3.50 -0.05 0.00 0.01 0.00 0.00 42.46 38.74 1nca s ILE 20 CO -0.08 0.28 0.46 -0.44 0.00 0.00 0.00 174.94 175.16 1nca s SER 21 N 1.52 6.45 -0.23 3.58 0.01 -1.26 -0.62 113.70 123.15 1nca s SER 21 Ca 0.07 0.59 -0.03 0.00 1.31 0.00 0.00 55.95 57.89 1nca s SER 21 Cb -0.15 -2.09 0.07 0.00 0.21 0.00 0.00 66.02 64.06 1nca s SER 21 CO 0.09 -0.08 0.07 0.00 0.41 0.00 0.00 173.24 173.73 1nca s LYS 23 N 1.89 4.01 -0.03 0.00 1.02 -0.70 -0.78 119.74 125.14 1nca s LYS 23 Ca 0.03 -0.25 -0.10 0.00 0.02 0.00 0.00 55.97 55.67 1nca s LYS 23 Cb -0.17 -3.61 -0.05 0.00 -0.52 0.00 0.00 37.83 33.48 1nca s LYS 23 CO -0.16 -0.10 0.28 0.00 -0.92 0.00 0.00 175.35 174.45 1nca s ALA 24 N 1.53 3.80 0.03 5.17 0.00 0.38 -1.80 121.76 130.87 1nca s ALA 24 Ca 0.08 -0.47 0.01 0.00 0.00 0.00 0.00 51.96 51.59 1nca s ALA 24 Cb -0.15 -2.15 -0.02 0.00 0.00 0.00 0.00 23.12 20.80 1nca s ALA 24 CO 0.09 0.58 -0.05 0.45 0.00 0.00 0.00 175.76 176.82 1nca s SER 25 N -1.28 0.58 0.00 0.00 0.15 0.81 -4.89 113.70 109.07 1nca s SER 25 Ca 0.22 -0.45 0.00 0.00 0.70 0.00 0.00 55.95 56.42 1nca s SER 25 Cb -0.14 0.04 0.00 0.00 -1.71 0.00 0.00 66.02 64.21 1nca s SER 25 CO 0.11 -0.20 0.00 0.61 1.20 0.00 0.00 173.24 174.97 1nca n GLY 26 N 1.76 3.37 3.58 9.45 0.00 -1.21 -1.71 105.19 120.42 1nca n GLY 26 Ca -0.22 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.54 1nca n GLY 26 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1nca s TYR 27 N -2.61 1.96 -0.55 1.61 1.13 -1.26 -4.72 117.35 112.92 1nca s TYR 27 Ca 0.00 -1.02 -0.20 0.00 -1.41 0.00 0.00 57.07 54.44 1nca s TYR 27 Cb 0.00 -1.40 0.07 0.00 -1.10 0.00 0.00 41.96 39.53 1nca s TYR 27 CO 0.00 0.03 0.71 0.99 -2.51 0.00 0.00 175.55 174.77 1nca s THR 28 N -3.08 4.76 0.15 -3.49 2.01 -1.26 -4.90 115.64 109.83 1nca s THR 28 Ca 0.24 -0.56 0.01 0.00 0.31 0.00 0.00 61.69 61.70 1nca s THR 28 Cb 0.05 -4.42 0.19 0.00 0.01 0.00 0.00 72.50 68.34 1nca s THR 28 CO 0.12 -0.99 0.73 0.33 -0.69 0.00 0.00 174.62 174.12 1nca n PHE 29 N 6.49 0.31 0.29 4.92 7.35 -1.26 -0.51 117.46 135.05 1nca n PHE 29 Ca -0.06 0.56 0.17 0.00 -0.76 0.00 0.00 57.45 57.35 1nca n PHE 29 Cb 0.45 -0.86 0.84 0.00 0.35 0.00 0.00 39.48 40.26 1nca n PHE 29 CO 0.00 0.00 0.00 1.15 -0.76 0.00 0.00 176.76 177.15 1nca h THR 30 N 0.00 0.24 -0.10 -2.13 2.02 -1.90 -2.81 112.91 108.22 1nca h THR 30 Ca 0.29 -0.41 0.00 0.00 0.77 0.00 0.00 66.41 67.06 1nca h THR 30 Cb 0.60 1.32 0.00 0.00 -1.74 0.00 0.00 68.15 68.33 1nca h THR 30 CO -0.43 0.05 0.00 -3.20 0.37 0.00 0.00 175.52 172.31 1nca n ASN 31 N -3.31 2.95 -3.62 4.18 5.15 0.34 -4.27 115.26 116.68 1nca n ASN 31 Ca -0.01 -1.93 -0.22 0.00 -0.60 0.00 0.00 54.58 51.82 1nca n ASN 31 Cb 0.22 -0.05 -0.16 0.00 -0.53 0.00 0.00 39.78 39.26 1nca n ASN 31 CO 0.00 0.00 0.00 -0.31 1.40 0.00 0.00 177.26 178.35 1nca s TYR 32 N -1.75 0.01 0.88 1.20 2.02 -1.06 -5.01 117.35 113.65 1nca s TYR 32 Ca 0.28 0.08 -0.13 0.00 -0.37 0.00 0.00 57.07 56.94 1nca s TYR 32 Cb 0.19 -0.51 0.16 0.00 -0.40 0.00 0.00 41.96 41.40 1nca s TYR 32 CO 0.28 -0.41 1.23 0.20 -1.57 0.00 0.00 175.55 175.29 1nca s GLY 33 N 2.21 1.74 -0.10 0.71 0.00 -1.26 -4.69 107.32 105.93 1nca s GLY 33 Ca 0.04 -1.14 0.03 0.00 0.00 0.00 0.00 44.72 43.65 1nca s GLY 33 CO -0.07 -0.48 -0.21 1.06 0.00 0.00 0.00 173.10 173.40 1nca s MET 34 N -5.69 3.10 -0.03 2.90 -1.94 -0.79 -0.67 119.30 116.19 1nca s MET 34 Ca 0.70 -0.83 -0.15 0.00 -1.71 0.00 0.00 55.69 53.70 1nca s MET 34 Cb -0.06 -2.38 -0.05 0.00 2.01 0.00 0.00 34.83 34.35 1nca s MET 34 CO 0.51 0.21 0.41 -0.80 -0.01 0.00 0.00 175.02 175.33 1nca s ASN 35 N 0.30 6.77 -0.14 3.03 -0.87 0.61 -0.95 114.94 123.69 1nca s ASN 35 Ca -0.16 0.92 0.02 0.00 -1.57 0.00 0.00 52.86 52.07 1nca s ASN 35 Cb -0.17 -2.25 0.01 0.00 -0.02 0.00 0.00 41.25 38.82 1nca s ASN 35 CO 0.08 0.27 -0.21 0.26 -2.57 0.00 0.00 177.10 174.92 1nca s TRP 36 N -0.75 2.69 0.03 2.20 0.52 -1.05 -0.62 118.94 121.96 1nca s TRP 36 Ca 0.24 -1.31 0.08 0.00 0.02 0.00 0.00 56.10 55.13 1nca s TRP 36 Cb -0.16 -1.83 -0.03 0.00 -1.15 0.00 0.00 33.47 30.31 1nca s TRP 36 CO 0.12 -0.60 -0.24 0.08 0.02 0.00 0.00 176.95 176.34 1nca s VAL 37 N 0.82 1.89 -0.18 4.03 1.01 -0.75 0.01 120.40 127.22 1nca s VAL 37 Ca -0.07 -1.24 -0.02 0.00 0.00 0.00 0.00 61.98 60.65 1nca s VAL 37 Cb -0.15 -1.62 -0.01 0.00 0.00 0.00 0.00 36.38 34.60 1nca s VAL 37 CO -0.02 0.33 -0.08 -0.75 0.00 0.00 0.00 175.10 174.59 1nca s LYS 38 N -1.08 3.40 -0.30 2.72 2.20 -0.18 -1.22 119.74 125.28 1nca s LYS 38 Ca 0.10 -0.64 -0.00 0.00 -0.36 0.00 0.00 55.97 55.06 1nca s LYS 38 Cb -0.09 -2.86 0.06 0.00 -1.51 0.00 0.00 37.83 33.43 1nca s LYS 38 CO 0.01 -0.02 -0.01 -1.14 -0.36 0.00 0.00 175.35 173.83 1nca s GLN 39 N 0.99 2.29 0.01 4.03 0.74 -0.32 -1.40 119.66 126.00 1nca s GLN 39 Ca -0.00 -1.37 -0.24 0.00 0.05 0.00 0.00 55.36 53.80 1nca s GLN 39 Cb -0.15 -3.13 -0.05 0.00 1.10 0.00 0.00 33.01 30.78 1nca s GLN 39 CO -0.00 -0.66 0.71 0.00 -0.55 0.00 0.00 175.29 174.79 1nca s ALA 40 N 1.18 3.38 0.00 1.58 0.00 -1.09 -1.96 121.76 124.86 1nca s ALA 40 Ca -0.04 0.19 0.00 0.00 0.00 0.00 0.00 51.96 52.11 1nca s ALA 40 Cb -0.20 -2.93 0.00 0.00 0.00 0.00 0.00 23.12 19.99 1nca s ALA 40 CO -0.03 0.04 0.00 -2.30 0.00 0.00 0.00 175.76 173.48 1nca n PRO 41 N 3.04 0.00 -0.04 0.00 -0.02 -1.26 -2.33 135.00 134.39 1nca n PRO 41 Ca -0.03 0.00 -0.03 0.00 -2.02 0.00 0.00 63.50 61.42 1nca n PRO 41 Cb 0.51 0.00 -0.01 0.00 -0.02 0.00 0.00 33.50 33.98 1nca n PRO 41 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1nca n GLY 42 N -0.76 -0.56 0.25 -1.23 0.00 -1.26 -4.80 105.19 96.82 1nca n GLY 42 Ca 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.89 1nca n GLY 42 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1nca n LYS 43 N -3.34 0.02 0.00 1.61 3.00 -0.98 -4.96 118.16 113.51 1nca n LYS 43 Ca -0.05 0.72 0.00 0.00 -0.00 0.00 0.00 58.31 58.97 1nca n LYS 43 Cb 0.20 -1.96 0.00 0.00 0.00 0.00 0.00 35.03 33.27 1nca n LYS 43 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1nca n GLY 44 N -1.26 -1.80 3.86 3.14 0.00 -1.18 -4.92 105.19 103.04 1nca n GLY 44 Ca 0.00 -1.81 -0.37 0.00 0.00 0.00 0.00 46.02 43.83 1nca n GLY 44 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1nca s LEU 45 N 0.00 4.41 -0.03 0.99 1.43 -1.26 -2.69 118.68 121.54 1nca s LEU 45 Ca 0.00 0.62 0.00 0.00 -1.03 0.00 0.00 54.13 53.73 1nca s LEU 45 Cb 0.00 -2.23 0.02 0.00 0.03 0.00 0.00 46.19 44.01 1nca s LEU 45 CO 0.00 0.38 -0.00 -0.75 0.23 0.00 0.00 176.35 176.21 1nca s LYS 46 N -1.03 0.27 -0.05 1.70 2.20 -0.49 -4.99 119.74 117.35 1nca s LYS 46 Ca 0.18 0.06 -0.30 0.00 -0.36 0.00 0.00 55.97 55.55 1nca s LYS 46 Cb -0.13 -0.43 -0.04 0.00 -1.51 0.00 0.00 37.83 35.72 1nca s LYS 46 CO 0.07 -0.11 1.31 -0.46 -0.36 0.00 0.00 175.35 175.80 1nca s TRP 47 N 0.88 2.94 -0.39 4.03 -0.00 -1.26 -1.01 118.94 124.13 1nca s TRP 47 Ca -0.09 0.97 0.23 0.00 -0.00 0.00 0.00 56.10 57.21 1nca s TRP 47 Cb -0.12 -3.56 0.05 0.00 -0.00 0.00 0.00 33.47 29.84 1nca s TRP 47 CO -0.02 -1.96 1.04 -1.33 -0.00 0.00 0.00 176.95 174.68 1nca n MET 48 N 5.58 0.47 -1.32 5.86 2.81 0.10 -4.66 117.12 125.96 1nca n MET 48 Ca 0.13 0.06 0.00 0.00 -1.81 0.00 0.00 57.70 56.07 1nca n MET 48 Cb 0.45 -1.71 0.00 0.00 -0.71 0.00 0.00 33.22 31.24 1nca n MET 48 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1nca n GLY 49 N 1.26 0.28 3.28 3.03 0.00 -1.23 -0.52 105.19 111.29 1nca n GLY 49 Ca 0.01 -1.67 -0.14 0.00 0.00 0.00 0.00 46.02 44.22 1nca n GLY 49 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1nca s TRP 50 N -2.48 -0.34 -0.08 1.61 -0.00 -0.94 -2.54 118.94 114.17 1nca s TRP 50 Ca 0.00 0.71 0.03 0.00 -0.00 0.00 0.00 56.10 56.84 1nca s TRP 50 Cb 0.00 0.14 0.01 0.00 -0.00 0.00 0.00 33.47 33.62 1nca s TRP 50 CO 0.00 -0.32 -0.19 -1.50 -0.00 0.00 0.00 176.95 174.94 1nca s ILE 51 N -0.59 1.66 -0.85 5.86 2.07 -0.12 0.02 121.20 129.24 1nca s ILE 51 Ca -0.07 -0.79 -0.25 0.00 -1.41 0.00 0.00 60.65 58.14 1nca s ILE 51 Cb -0.04 -1.46 -0.00 0.00 0.13 0.00 0.00 42.46 41.09 1nca s ILE 51 CO 0.03 0.47 1.70 0.21 -1.91 0.00 0.00 174.94 175.44 1nca s ASN 52 N 0.48 5.68 0.00 4.50 3.84 -0.62 -1.88 114.94 126.94 1nca s ASN 52 Ca -0.17 -0.64 0.05 0.00 0.21 0.00 0.00 52.86 52.30 1nca s ASN 52 Cb -0.17 -2.56 0.28 0.00 -0.55 0.00 0.00 41.25 38.25 1nca s ASN 52 CO 0.07 -2.21 0.65 0.35 -2.79 0.00 0.00 177.10 173.17 1nca n THR 52 N 7.26 0.00 -0.06 -5.21 -2.24 -1.26 -0.06 114.28 112.71 1nca n THR 52 Ca 0.29 0.00 -0.05 0.00 -2.27 0.00 0.00 64.05 62.02 1nca n THR 52 Cb 0.49 -0.71 -0.02 0.00 -2.10 0.00 0.00 70.33 68.00 1nca n THR 52 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1nca n ASN 53 N -0.82 1.37 0.08 3.42 2.85 -1.26 -4.57 115.26 116.33 1nca n ASN 53 Ca 0.03 0.35 -0.09 0.00 -0.11 0.00 0.00 54.58 54.77 1nca n ASN 53 Cb 0.02 -0.71 0.01 0.00 1.24 0.00 0.00 39.78 40.34 1nca n ASN 53 CO 0.00 0.00 0.00 0.71 -2.11 0.00 0.00 177.26 175.86 1nca h THR 54 N -0.73 1.46 0.00 -0.44 1.35 -1.91 -3.48 112.91 109.16 1nca h THR 54 Ca 0.00 -2.46 0.00 0.00 -0.55 0.00 0.00 66.41 63.40 1nca h THR 54 Cb 0.59 2.36 0.00 0.00 -1.73 0.00 0.00 68.15 69.37 1nca h THR 54 CO 0.00 0.72 0.00 0.61 -0.25 0.00 0.00 175.52 176.60 1nca n GLY 55 N 0.76 0.62 3.70 5.82 0.00 0.92 -5.09 105.19 111.91 1nca n GLY 55 Ca -0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.56 1nca n GLY 55 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1nca s GLU 56 N -0.77 4.39 0.27 1.61 2.02 -1.25 -4.68 118.70 120.29 1nca s GLU 56 Ca 0.00 1.66 -0.17 0.00 0.02 0.00 0.00 54.97 56.48 1nca s GLU 56 Cb 0.00 -3.49 -0.09 0.00 0.10 0.00 0.00 34.13 30.65 1nca s GLU 56 CO 0.00 -0.36 0.73 -1.25 0.02 0.00 0.00 175.26 174.40 1nca s PRO 57 N 1.80 4.13 -0.06 0.39 0.04 -1.26 -1.59 135.00 138.45 1nca s PRO 57 Ca 0.56 0.77 0.03 0.00 0.04 0.00 0.00 61.00 62.40 1nca s PRO 57 Cb -0.25 -2.67 -0.03 0.00 0.04 0.00 0.00 34.50 31.59 1nca s PRO 57 CO 0.24 0.28 -0.14 0.99 0.04 0.00 0.00 177.00 178.42 1nca s THR 58 N -1.74 3.10 0.08 1.26 2.01 0.10 -4.98 115.64 115.47 1nca s THR 58 Ca 0.48 -0.71 0.07 0.00 0.31 0.00 0.00 61.69 61.84 1nca s THR 58 Cb -0.14 -2.22 -0.04 0.00 0.01 0.00 0.00 72.50 70.12 1nca s THR 58 CO 0.19 0.59 -0.13 -0.31 -0.69 0.00 0.00 174.62 174.27 1nca s TYR 59 N -0.65 2.68 0.60 4.92 2.02 -1.26 -2.22 117.35 123.44 1nca s TYR 59 Ca 0.10 -0.18 -0.18 0.00 -0.37 0.00 0.00 57.07 56.44 1nca s TYR 59 Cb -0.11 -1.45 -0.03 0.00 -0.40 0.00 0.00 41.96 39.97 1nca s TYR 59 CO 0.01 0.37 1.13 0.20 -1.57 0.00 0.00 175.55 175.69 1nca s GLY 60 N -1.90 2.45 0.30 0.71 0.00 0.32 -4.83 107.32 104.37 1nca s GLY 60 Ca 0.19 0.73 0.01 0.00 0.00 0.00 0.00 44.72 45.64 1nca s GLY 60 CO 0.10 1.09 1.89 0.83 0.00 0.00 0.00 173.10 177.01 1nca h GLU 61 N 0.68 0.99 0.00 2.90 3.07 -1.94 0.16 114.58 120.44 1nca h GLU 61 Ca -0.49 -0.06 0.00 0.00 -0.50 0.00 0.00 59.36 58.31 1nca h GLU 61 Cb 1.26 -0.22 0.00 0.00 -0.84 0.00 0.00 28.75 28.95 1nca h GLU 61 CO 0.55 0.65 0.27 0.93 -1.40 0.00 0.00 179.01 180.02 1nca h GLU 62 N 1.02 0.00 0.00 2.33 4.39 -1.95 -2.61 114.58 117.75 1nca h GLU 62 Ca 0.42 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.12 1nca h GLU 62 Cb 0.28 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.93 1nca h GLU 62 CO -0.17 0.00 0.00 1.19 -1.16 0.00 0.00 179.01 178.87 1nca n PHE 63 N -2.74 0.00 -2.08 4.33 3.72 0.51 -4.98 117.46 116.21 1nca n PHE 63 Ca -0.02 0.00 -0.43 0.00 -0.05 0.00 0.00 57.45 56.96 1nca n PHE 63 Cb 0.32 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.83 1nca n PHE 63 CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 176.76 176.92 1nca s LYS 64 N -0.19 4.03 0.00 -1.08 2.20 -0.94 -3.43 119.74 120.32 1nca s LYS 64 Ca 0.00 1.94 0.00 0.00 -0.36 0.00 0.00 55.97 57.55 1nca s LYS 64 Cb 0.00 -3.99 0.00 0.00 -1.51 0.00 0.00 37.83 32.33 1nca s LYS 64 CO 0.00 -1.02 0.00 0.41 -0.36 0.00 0.00 175.35 174.38 1nca n GLY 65 N 4.30 1.11 0.19 5.54 0.00 -1.26 -4.81 105.19 110.26 1nca n GLY 65 Ca 0.18 -0.31 0.13 0.00 0.00 0.00 0.00 46.02 46.02 1nca n GLY 65 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1nca h ARG 66 N 0.00 0.00 -5.64 1.61 3.08 -1.95 -3.44 114.38 108.03 1nca h ARG 66 Ca 0.00 0.00 -0.62 0.00 0.07 0.00 0.00 59.98 59.43 1nca h ARG 66 Cb 0.00 0.00 -0.08 0.00 0.08 0.00 0.00 29.97 29.97 1nca h ARG 66 CO 0.00 0.00 -0.37 -0.06 -1.07 0.00 0.00 179.97 178.47 1nca s PHE 67 N -3.29 3.57 -0.15 3.04 0.08 -1.22 -4.19 117.98 115.82 1nca s PHE 67 Ca 0.06 0.64 -0.04 0.00 0.12 0.00 0.00 56.93 57.71 1nca s PHE 67 Cb 0.08 -2.17 0.05 0.00 -0.57 0.00 0.00 43.02 40.42 1nca s PHE 67 CO 0.59 0.51 0.08 0.00 -0.10 0.00 0.00 175.22 176.31 1nca s ALA 68 N -0.43 0.39 0.16 5.36 0.00 -0.19 -4.83 121.76 122.21 1nca s ALA 68 Ca 0.17 -0.21 -0.23 0.00 0.00 0.00 0.00 51.96 51.69 1nca s ALA 68 Cb -0.13 -0.96 -0.08 0.00 0.00 0.00 0.00 23.12 21.95 1nca s ALA 68 CO 0.06 -1.05 0.72 -0.06 0.00 0.00 0.00 175.76 175.43 1nca s PHE 69 N 2.14 3.82 0.32 0.00 0.08 -1.26 -1.52 117.98 121.57 1nca s PHE 69 Ca 0.03 1.49 -0.10 0.00 0.12 0.00 0.00 56.93 58.47 1nca s PHE 69 Cb -0.15 -2.67 0.01 0.00 -0.57 0.00 0.00 43.02 39.64 1nca s PHE 69 CO -0.08 0.49 0.57 -1.54 -0.10 0.00 0.00 175.22 174.55 1nca s SER 70 N -1.27 0.35 -0.13 1.36 1.04 -0.94 -4.92 113.70 109.19 1nca s SER 70 Ca 0.36 -1.20 -0.10 0.00 0.48 0.00 0.00 55.95 55.49 1nca s SER 70 Cb -0.21 0.69 0.04 0.00 0.10 0.00 0.00 66.02 66.65 1nca s SER 70 CO 0.23 -1.36 0.33 -1.48 0.98 0.00 0.00 173.24 171.94 1nca s LEU 71 N -3.12 0.53 -1.20 2.42 0.05 -1.26 -0.53 118.68 115.58 1nca s LEU 71 Ca 0.23 0.68 -0.11 0.00 0.05 0.00 0.00 54.13 54.98 1nca s LEU 71 Cb -0.02 1.09 0.20 0.00 -2.05 0.00 0.00 46.19 45.41 1nca s LEU 71 CO 0.14 -0.14 1.47 -0.62 -0.55 0.00 0.00 176.35 176.66 1nca n GLU 72 N 3.40 3.53 -0.26 1.48 4.71 0.27 -4.80 120.64 128.97 1nca n GLU 72 Ca -0.17 -3.94 0.05 0.00 -0.01 0.00 0.00 57.16 53.08 1nca n GLU 72 Cb 0.56 -2.89 0.11 0.00 -1.01 0.00 0.00 31.44 28.21 1nca n GLU 72 CO 0.00 0.00 0.00 0.25 0.09 0.00 0.00 177.13 177.47 1nca n THR 73 N 3.78 -0.30 0.30 2.62 -2.24 -1.26 -0.32 114.28 116.86 1nca n THR 73 Ca 0.34 1.65 0.17 0.00 -2.27 0.00 0.00 64.05 63.94 1nca n THR 73 Cb 0.40 -2.29 0.94 0.00 -2.10 0.00 0.00 70.33 67.28 1nca n THR 73 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 1nca h SER 74 N 0.00 0.00 0.00 3.42 0.02 -1.91 -0.29 113.55 114.79 1nca h SER 74 Ca 0.35 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.30 1nca h SER 74 Cb 0.56 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.10 1nca h SER 74 CO -0.74 0.03 -0.01 0.00 -1.14 0.00 0.00 176.83 174.97 1nca n ALA 75 N -2.23 1.96 -3.70 3.77 0.00 0.56 -4.99 120.51 115.88 1nca n ALA 75 Ca -0.02 -1.21 -0.25 0.00 0.00 0.00 0.00 53.44 51.96 1nca n ALA 75 Cb 0.13 -0.07 0.06 0.00 0.00 0.00 0.00 19.45 19.57 1nca n ALA 75 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1nca n SER 76 N -0.59 -4.87 -4.42 0.00 7.64 -0.12 -4.70 113.62 106.56 1nca n SER 76 Ca 0.02 -0.66 -0.32 0.00 1.01 0.00 0.00 58.87 58.93 1nca n SER 76 Cb 0.34 -4.55 -0.14 0.00 -1.01 0.00 0.00 64.21 58.85 1nca n SER 76 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1nca s THR 77 N -3.35 2.71 0.14 0.44 2.01 -0.70 -0.47 115.64 116.41 1nca s THR 77 Ca 0.49 -0.91 0.09 0.00 0.31 0.00 0.00 61.69 61.67 1nca s THR 77 Cb -0.23 -2.04 -0.04 0.00 0.01 0.00 0.00 72.50 70.20 1nca s THR 77 CO 0.77 0.55 -0.15 0.00 -0.69 0.00 0.00 174.62 175.11 1nca s ALA 78 N -0.72 2.80 0.02 7.40 0.00 0.04 -0.56 121.76 130.73 1nca s ALA 78 Ca 0.11 -1.40 0.00 0.00 0.00 0.00 0.00 51.96 50.68 1nca s ALA 78 Cb -0.10 -0.69 -0.02 0.00 0.00 0.00 0.00 23.12 22.31 1nca s ALA 78 CO 0.01 0.55 -0.03 -0.80 0.00 0.00 0.00 175.76 175.48 1nca s ASN 79 N -2.42 0.26 -0.13 0.00 -0.87 0.31 -0.81 114.94 111.28 1nca s ASN 79 Ca 0.21 -0.43 -0.01 0.00 -1.57 0.00 0.00 52.86 51.06 1nca s ASN 79 Cb -0.10 0.08 -0.02 0.00 -0.02 0.00 0.00 41.25 41.19 1nca s ASN 79 CO 0.12 -0.25 -0.10 -0.22 -2.57 0.00 0.00 177.10 174.08 1nca s LEU 80 N -1.26 2.91 -0.08 0.60 2.96 0.21 -2.20 118.68 121.82 1nca s LEU 80 Ca -0.13 -0.24 0.02 0.00 -0.22 0.00 0.00 54.13 53.56 1nca s LEU 80 Cb -0.09 -1.66 0.01 0.00 0.50 0.00 0.00 46.19 44.96 1nca s LEU 80 CO -0.01 0.20 -0.12 -1.58 -1.32 0.00 0.00 176.35 173.52 1nca s GLN 81 N 0.18 1.74 0.30 1.98 0.74 -0.57 -0.74 119.66 123.28 1nca s GLN 81 Ca -0.06 -0.41 0.11 0.00 0.05 0.00 0.00 55.36 55.06 1nca s GLN 81 Cb -0.15 -1.50 -0.05 0.00 1.10 0.00 0.00 33.01 32.41 1nca s GLN 81 CO 0.04 -0.03 -0.16 0.42 -0.55 0.00 0.00 175.29 175.01 1nca s ILE 82 N 0.86 2.45 0.00 -2.34 1.01 -0.85 -1.02 121.20 121.31 1nca s ILE 82 Ca -0.11 -2.33 0.00 0.00 0.00 0.00 0.00 60.65 58.21 1nca s ILE 82 Cb -0.15 -2.42 0.00 0.00 0.01 0.00 0.00 42.46 39.90 1nca s ILE 82 CO 0.01 -0.34 0.00 -3.20 0.00 0.00 0.00 174.94 171.41 1nca n ASN 82 N -0.68 0.00 -4.71 3.58 5.15 -0.87 -0.81 115.26 116.92 1nca n ASN 82 Ca -0.05 0.00 -0.43 0.00 -0.60 0.00 0.00 54.58 53.50 1nca n ASN 82 Cb 0.61 0.00 -0.02 0.00 -0.53 0.00 0.00 39.78 39.84 1nca n ASN 82 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 1nca n LEU 82 N -0.24 3.81 -4.79 1.20 4.77 0.25 -4.69 117.00 117.31 1nca n LEU 82 Ca 0.00 1.13 -0.30 0.00 -0.03 0.00 0.00 56.01 56.80 1nca n LEU 82 Cb 0.00 -1.52 -0.06 0.00 -2.33 0.00 0.00 43.42 39.50 1nca n LEU 82 CO 0.00 -0.08 -0.25 -0.54 -1.33 0.00 0.00 177.39 175.19 1nca s LYS 83 N -0.10 2.95 0.44 3.23 1.02 -1.26 -0.98 119.74 125.03 1nca s LYS 83 Ca 0.68 -0.67 0.12 0.00 0.02 0.00 0.00 55.97 56.12 1nca s LYS 83 Cb -0.56 -2.76 1.00 0.00 -0.52 0.00 0.00 37.83 34.98 1nca s LYS 83 CO 0.46 0.57 2.03 -2.95 -0.92 0.00 0.00 175.35 174.54 1nca h ASN 84 N 3.23 0.36 -0.08 2.83 7.08 -1.93 -2.22 115.58 124.85 1nca h ASN 84 Ca -0.47 -0.00 0.00 0.00 -3.08 0.00 0.00 56.30 52.75 1nca h ASN 84 Cb 1.16 -0.08 0.00 0.00 -2.08 0.00 0.00 38.32 37.32 1nca h ASN 84 CO 0.67 0.24 0.00 -1.84 -2.08 0.00 0.00 177.43 174.42 1nca n GLU 85 N -4.48 1.47 -0.22 4.14 0.28 -1.26 -3.01 120.64 117.57 1nca n GLU 85 Ca 0.06 -0.42 0.10 0.00 -0.16 0.00 0.00 57.16 56.74 1nca n GLU 85 Cb 0.22 -1.49 0.26 0.00 1.43 0.00 0.00 31.44 31.85 1nca n GLU 85 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 1nca n ASP 86 N 0.02 2.76 -4.71 -1.84 8.00 -0.83 -4.89 116.55 115.06 1nca n ASP 86 Ca 0.04 -1.94 -0.42 0.00 0.71 0.00 0.00 54.79 53.18 1nca n ASP 86 Cb 0.32 -0.29 -0.03 0.00 -0.02 0.00 0.00 41.12 41.10 1nca n ASP 86 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1nca s THR 87 N -1.43 4.09 -1.74 -3.53 -4.23 -1.16 -4.80 115.64 102.83 1nca s THR 87 Ca 0.36 1.50 0.00 0.00 -1.18 0.00 0.00 61.69 62.37 1nca s THR 87 Cb 0.19 -3.96 0.00 0.00 1.34 0.00 0.00 72.50 70.07 1nca s THR 87 CO 0.26 0.12 0.00 0.00 -0.54 0.00 0.00 174.62 174.46 1nca n ALA 88 N 3.93 0.00 -2.40 3.99 0.00 -1.04 -4.52 120.51 120.48 1nca n ALA 88 Ca 0.09 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.21 1nca n ALA 88 Cb 0.47 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.77 1nca n ALA 88 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1nca s THR 89 N -2.41 2.59 -0.06 0.00 2.01 -0.83 -0.44 115.64 116.51 1nca s THR 89 Ca 0.00 -0.91 0.05 0.00 0.31 0.00 0.00 61.69 61.14 1nca s THR 89 Cb 0.00 -1.97 -0.01 0.00 0.01 0.00 0.00 72.50 70.53 1nca s THR 89 CO 0.00 0.58 -0.23 -0.36 -0.69 0.00 0.00 174.62 173.92 1nca s PHE 90 N -0.68 2.27 -0.14 4.92 0.08 -0.07 -1.17 117.98 123.19 1nca s PHE 90 Ca 0.11 -0.72 -0.01 0.00 0.12 0.00 0.00 56.93 56.43 1nca s PHE 90 Cb -0.10 -1.51 -0.02 0.00 -0.57 0.00 0.00 43.02 40.83 1nca s PHE 90 CO -0.00 -0.24 -0.12 -0.06 -0.10 0.00 0.00 175.22 174.70 1nca s PHE 91 N -0.01 2.84 0.17 0.36 0.08 -0.36 -1.42 117.98 119.65 1nca s PHE 91 Ca -0.07 -0.61 -0.19 0.00 0.12 0.00 0.00 56.93 56.17 1nca s PHE 91 Cb -0.14 -1.87 -0.08 0.00 -0.57 0.00 0.00 43.02 40.37 1nca s PHE 91 CO 0.04 -0.20 0.67 0.00 -0.10 0.00 0.00 175.22 175.63 1nca s ALA 93 N -1.38 1.45 0.20 0.00 0.00 0.21 -0.31 121.76 121.94 1nca s ALA 93 Ca 0.38 -1.03 -0.27 0.00 0.00 0.00 0.00 51.96 51.04 1nca s ALA 93 Cb -0.18 -0.20 -0.08 0.00 0.00 0.00 0.00 23.12 22.66 1nca s ALA 93 CO 0.21 0.27 0.84 0.50 0.00 0.00 0.00 175.76 177.58 1nca s ARG 94 N -1.53 4.65 -0.28 0.00 3.52 -0.27 -0.29 118.95 124.75 1nca s ARG 94 Ca 0.03 1.26 -0.11 0.00 -0.13 0.00 0.00 55.73 56.78 1nca s ARG 94 Cb -0.09 -3.22 -0.05 0.00 -1.56 0.00 0.00 34.95 30.03 1nca s ARG 94 CO 0.02 0.53 0.20 0.20 -0.81 0.00 0.00 175.30 175.44 1nca s GLY 95 N -1.22 1.93 0.25 8.12 0.00 0.15 -3.20 107.32 113.36 1nca s GLY 95 Ca 0.39 -1.08 -0.03 0.00 0.00 0.00 0.00 44.72 43.99 1nca s GLY 95 CO 0.28 0.67 1.77 -2.09 0.00 0.00 0.00 173.10 173.72 1nca h GLU 96 N 8.36 0.61 0.00 2.90 4.22 -1.41 -3.35 114.58 125.92 1nca h GLU 96 Ca -0.35 -0.04 -0.22 0.00 0.08 0.00 0.00 59.36 58.84 1nca h GLU 96 Cb 1.19 -0.14 -0.04 0.00 0.50 0.00 0.00 28.75 30.26 1nca h GLU 96 CO 0.56 0.40 -0.16 -0.40 -2.18 0.00 0.00 179.01 177.23 1nca n ASP 97 N -4.86 2.45 -4.67 1.04 5.75 -1.26 -4.98 116.55 110.02 1nca n ASP 97 Ca 0.15 -1.74 -0.42 0.00 -0.01 0.00 0.00 54.79 52.77 1nca n ASP 97 Cb 0.37 0.12 -0.03 0.00 -1.03 0.00 0.00 41.12 40.55 1nca n ASP 97 CO 0.00 0.00 0.00 0.21 -0.11 0.00 0.00 177.20 177.30 1nca s ASN 98 N -1.92 6.64 0.00 -1.12 3.04 -1.26 -2.19 114.94 118.12 1nca s ASN 98 Ca 0.00 2.35 0.00 0.00 0.04 0.00 0.00 52.86 55.25 1nca s ASN 98 Cb 0.00 -2.54 0.00 0.00 -1.54 0.00 0.00 41.25 37.17 1nca s ASN 98 CO 0.00 -0.91 0.00 0.49 -3.04 0.00 0.00 177.10 173.64 1nca n PHE 99 N 6.57 0.00 -1.86 0.43 3.01 -1.26 -4.47 117.46 119.88 1nca n PHE 99 Ca 0.17 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.63 1nca n PHE 99 Cb 0.42 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.89 1nca n PHE 99 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1nca n GLY 100 N -1.87 0.46 0.17 1.37 0.00 -0.93 -4.80 105.19 99.60 1nca n GLY 100 Ca 0.00 -0.45 0.05 0.00 0.00 0.00 0.00 46.02 45.62 1nca n GLY 100 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1nca h SER 100 N 0.00 0.00 -3.34 1.61 4.64 -1.82 -3.41 113.55 111.22 1nca h SER 100 Ca 0.00 0.00 -0.66 0.00 -0.47 0.00 0.00 61.79 60.66 1nca h SER 100 Cb 0.92 0.00 -0.29 0.00 -0.31 0.00 0.00 62.40 62.72 1nca h SER 100 CO 0.00 0.41 -0.75 -0.76 -0.87 0.00 0.00 176.83 174.86 1nca s LEU 100 N -6.75 2.77 -0.55 5.97 1.02 -1.26 -5.05 118.68 114.83 1nca s LEU 100 Ca 0.02 -0.47 -0.17 0.00 0.02 0.00 0.00 54.13 53.53 1nca s LEU 100 Cb 0.09 -1.69 0.12 0.00 0.02 0.00 0.00 46.19 44.73 1nca s LEU 100 CO 0.70 -0.02 0.55 -0.44 0.02 0.00 0.00 176.35 177.16 1nca s SER 100 N 1.44 6.19 0.14 2.29 0.01 -1.26 -1.09 113.70 121.41 1nca s SER 100 Ca 0.05 -1.63 -0.06 0.00 1.31 0.00 0.00 55.95 55.62 1nca s SER 100 Cb -0.14 -2.24 -0.06 0.00 0.21 0.00 0.00 66.02 63.80 1nca s SER 100 CO -0.05 -0.91 0.39 1.51 0.41 0.00 0.00 173.24 174.58 1nca s ASP 101 N 3.50 6.52 -0.14 2.44 -4.77 -1.19 -4.85 116.67 118.18 1nca s ASP 101 Ca 0.06 0.63 -0.10 0.00 -3.30 0.00 0.00 52.55 49.84 1nca s ASP 101 Cb -0.28 -2.11 0.04 0.00 -1.09 0.00 0.00 42.92 39.48 1nca s ASP 101 CO 0.04 0.06 0.19 -1.22 0.70 0.00 0.00 175.17 174.95 1nca n TYR 102 N 0.18 -3.41 -4.09 2.11 4.01 -1.26 -3.72 117.16 110.98 1nca n TYR 102 Ca -0.03 1.98 -0.31 0.00 -0.16 0.00 0.00 57.90 59.38 1nca n TYR 102 Cb 0.52 -3.22 -0.07 0.00 -0.31 0.00 0.00 39.34 36.26 1nca n TYR 102 CO 0.00 0.00 0.00 -1.58 -0.46 0.00 0.00 176.86 174.82 1nca s TRP 103 N -0.51 3.19 0.93 -0.72 0.52 -1.26 -1.11 118.94 119.98 1nca s TRP 103 Ca -0.22 0.11 -0.15 0.00 0.02 0.00 0.00 56.10 55.86 1nca s TRP 103 Cb 0.01 -1.65 0.17 0.00 -1.15 0.00 0.00 33.47 30.85 1nca s TRP 103 CO 0.60 0.52 1.26 0.20 0.02 0.00 0.00 176.95 179.55 1nca s GLY 104 N -2.12 1.70 0.49 0.98 0.00 0.58 -4.65 107.32 104.30 1nca s GLY 104 Ca 0.26 -0.98 0.23 0.00 0.00 0.00 0.00 44.72 44.23 1nca s GLY 104 CO 0.18 -0.30 2.02 0.06 0.00 0.00 0.00 173.10 175.07 1nca h GLN 105 N -1.52 0.00 0.00 2.90 3.07 -1.88 -3.44 115.11 114.24 1nca h GLN 105 Ca -0.45 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.29 1nca h GLN 105 Cb 1.27 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.83 1nca h GLN 105 CO 0.48 0.16 0.00 0.41 0.09 0.00 0.00 178.83 179.97 1nca n GLY 106 N -0.74 2.58 2.83 0.06 0.00 -1.26 -5.03 105.19 103.62 1nca n GLY 106 Ca -0.02 -1.69 -0.23 0.00 0.00 0.00 0.00 46.02 44.07 1nca n GLY 106 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1nca s THR 107 N -1.72 0.57 -0.19 2.61 2.01 -0.51 -4.80 115.64 113.61 1nca s THR 107 Ca 0.00 -0.03 -0.11 0.00 0.31 0.00 0.00 61.69 61.87 1nca s THR 107 Cb 0.00 -0.67 -0.05 0.00 0.01 0.00 0.00 72.50 71.79 1nca s THR 107 CO 0.00 0.28 0.16 -0.89 -0.69 0.00 0.00 174.62 173.48 1nca s THR 108 N 1.71 5.40 -0.06 -0.82 2.01 -1.26 -0.90 115.64 121.71 1nca s THR 108 Ca 0.02 0.25 0.03 0.00 0.31 0.00 0.00 61.69 62.31 1nca s THR 108 Cb -0.13 -3.50 -0.02 0.00 0.01 0.00 0.00 72.50 68.86 1nca s THR 108 CO -0.05 0.44 -0.15 0.54 -0.69 0.00 0.00 174.62 174.71 1nca s VAL 109 N 0.31 2.96 -0.31 3.82 0.11 0.42 -2.03 120.40 125.68 1nca s VAL 109 Ca 0.10 -0.75 0.02 0.00 -2.93 0.00 0.00 61.98 58.42 1nca s VAL 109 Cb -0.11 -2.17 0.09 0.00 -1.53 0.00 0.00 36.38 32.66 1nca s VAL 109 CO -0.01 0.58 0.03 -0.89 -3.33 0.00 0.00 175.10 171.48 1nca s THR 110 N -0.50 1.84 -0.37 5.04 2.01 0.41 -2.49 115.64 121.59 1nca s THR 110 Ca 0.07 -1.89 -0.29 0.00 0.31 0.00 0.00 61.69 59.89 1nca s THR 110 Cb -0.12 -2.28 0.01 0.00 0.01 0.00 0.00 72.50 70.12 1nca s THR 110 CO 0.02 -0.48 1.35 -0.69 -0.69 0.00 0.00 174.62 174.13 1nca s VAL 111 N 1.15 4.02 -0.28 3.82 1.01 -1.26 -2.02 120.40 126.84 1nca s VAL 111 Ca 0.06 1.09 -0.20 0.00 0.00 0.00 0.00 61.98 62.93 1nca s VAL 111 Cb -0.19 -4.21 0.11 0.00 0.00 0.00 0.00 36.38 32.10 1nca s VAL 111 CO -0.11 -0.66 0.90 -0.55 0.00 0.00 0.00 175.10 174.68 1nca s SER 112 N 3.37 -0.62 0.00 3.32 0.15 0.75 -4.88 113.70 115.79 1nca s SER 112 Ca 0.58 1.07 0.23 0.00 0.70 0.00 0.00 55.95 58.54 1nca s SER 112 Cb -0.14 1.18 1.39 0.00 -1.71 0.00 0.00 66.02 66.73 1nca s SER 112 CO 0.29 -0.18 1.84 -1.54 1.20 0.00 0.00 173.24 174.85 1nca n SER 113 N 3.21 0.00 -4.79 5.45 3.41 -1.26 -3.82 113.62 115.82 1nca n SER 113 Ca -0.16 -1.11 -0.33 0.00 -0.26 0.00 0.00 58.87 57.00 1nca n SER 113 Cb 0.57 0.00 0.01 0.00 -0.26 0.00 0.00 64.21 64.53 1nca n SER 113 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1nca s ALA 114 N -2.00 2.69 0.09 7.33 0.00 -1.26 -5.02 121.76 123.59 1nca s ALA 114 Ca 0.35 0.52 -0.02 0.00 0.00 0.00 0.00 51.96 52.81 1nca s ALA 114 Cb 0.16 -3.27 -0.05 0.00 0.00 0.00 0.00 23.12 19.96 1nca s ALA 114 CO 0.27 -0.84 0.28 0.15 0.00 0.00 0.00 175.76 175.61 1nca s LYS 115 N -3.85 3.51 0.19 0.00 1.02 -1.26 -5.01 119.74 114.33 1nca s LYS 115 Ca 0.66 -0.30 -0.31 0.00 0.02 0.00 0.00 55.97 56.04 1nca s LYS 115 Cb -0.18 -2.96 -0.10 0.00 -0.52 0.00 0.00 37.83 34.06 1nca s LYS 115 CO 0.34 0.55 1.54 0.99 -0.92 0.00 0.00 175.35 177.85 1nca s THR 116 N -1.57 2.62 -0.04 2.17 2.01 -1.26 -4.67 115.64 114.88 1nca s THR 116 Ca 0.37 0.46 0.04 0.00 0.31 0.00 0.00 61.69 62.88 1nca s THR 116 Cb -0.13 -3.29 -0.00 0.00 0.01 0.00 0.00 72.50 69.09 1nca s THR 116 CO 0.27 0.05 -0.17 -0.89 -0.69 0.00 0.00 174.62 173.18 1nca s THR 117 N 0.84 1.45 0.47 -0.82 2.01 0.12 -4.84 115.64 114.86 1nca s THR 117 Ca 0.67 -0.73 -0.19 0.00 0.31 0.00 0.00 61.69 61.75 1nca s THR 117 Cb -0.43 -1.24 -0.10 0.00 0.01 0.00 0.00 72.50 70.74 1nca s THR 117 CO 0.35 0.42 0.97 0.00 -0.69 0.00 0.00 174.62 175.67 1nca s ALA 118 N 0.04 3.02 0.74 7.40 0.00 -1.26 -0.50 121.76 131.20 1nca s ALA 118 Ca -0.04 0.36 -0.07 0.00 0.00 0.00 0.00 51.96 52.21 1nca s ALA 118 Cb -0.12 -3.15 0.09 0.00 0.00 0.00 0.00 23.12 19.94 1nca s ALA 118 CO 0.02 -0.06 1.06 -1.25 0.00 0.00 0.00 175.76 175.53 1nca s PRO 119 N -3.48 1.88 -0.13 0.00 0.04 -1.26 -4.37 135.00 127.67 1nca s PRO 119 Ca 0.62 -0.42 0.01 0.00 0.04 0.00 0.00 61.00 61.25 1nca s PRO 119 Cb -0.10 -2.15 -0.00 0.00 0.04 0.00 0.00 34.50 32.29 1nca s PRO 119 CO 0.20 -1.45 -0.18 -1.12 0.04 0.00 0.00 177.00 174.49 1nca s SER 120 N -4.61 3.51 -0.14 6.66 0.01 0.21 -4.97 113.70 114.38 1nca s SER 120 Ca 0.63 -0.48 0.02 0.00 1.31 0.00 0.00 55.95 57.43 1nca s SER 120 Cb -0.09 -1.52 0.01 0.00 0.21 0.00 0.00 66.02 64.63 1nca s SER 120 CO 0.46 0.12 -0.21 -0.69 0.41 0.00 0.00 173.24 173.32 1nca s VAL 121 N 0.61 2.16 -0.11 3.43 1.01 -1.26 0.41 120.40 126.66 1nca s VAL 121 Ca -0.10 -0.95 0.02 0.00 0.00 0.00 0.00 61.98 60.95 1nca s VAL 121 Cb -0.16 -1.87 0.01 0.00 0.00 0.00 0.00 36.38 34.37 1nca s VAL 121 CO 0.03 0.55 -0.16 -0.31 0.00 0.00 0.00 175.10 175.20 1nca s TYR 122 N 0.73 2.05 -0.13 5.22 2.02 0.18 -4.97 117.35 122.45 1nca s TYR 122 Ca -0.09 -0.95 -0.29 0.00 -0.37 0.00 0.00 57.07 55.37 1nca s TYR 122 Cb -0.16 -1.46 -0.04 0.00 -0.40 0.00 0.00 41.96 39.90 1nca s TYR 122 CO 0.00 -0.47 1.57 -1.25 -1.57 0.00 0.00 175.55 173.83 1nca s PRO 123 N 0.89 4.05 -0.75 -1.71 0.04 -1.26 -1.98 135.00 134.28 1nca s PRO 123 Ca -0.08 1.91 -0.06 0.00 0.04 0.00 0.00 61.00 62.81 1nca s PRO 123 Cb -0.15 -3.96 0.19 0.00 0.04 0.00 0.00 34.50 30.62 1nca s PRO 123 CO -0.00 -0.98 0.62 -0.51 0.04 0.00 0.00 177.00 176.17 1nca s LEU 124 N 4.36 5.80 0.00 -3.56 1.43 -0.22 -4.97 118.68 121.52 1nca s LEU 124 Ca 0.69 -2.97 -0.08 0.00 -1.03 0.00 0.00 54.13 50.75 1nca s LEU 124 Cb -0.28 -1.99 -0.05 0.00 0.03 0.00 0.00 46.19 43.90 1nca s LEU 124 CO 0.27 -0.40 0.28 0.00 0.23 0.00 0.00 176.35 176.73 1nca s ALA 125 N -0.24 3.83 0.47 4.21 0.00 -1.26 -1.34 121.76 127.43 1nca s ALA 125 Ca 0.19 -0.53 -0.20 0.00 0.00 0.00 0.00 51.96 51.42 1nca s ALA 125 Cb -0.15 -2.11 -0.09 0.00 0.00 0.00 0.00 23.12 20.77 1nca s ALA 125 CO -0.06 0.62 1.00 -1.25 0.00 0.00 0.00 175.76 176.07 1nca s PRO 126 N -1.65 3.96 -1.18 0.00 0.04 -1.26 -4.90 135.00 130.00 1nca s PRO 126 Ca 0.27 1.25 -0.06 0.00 0.04 0.00 0.00 61.00 62.50 1nca s PRO 126 Cb -0.13 -2.13 0.23 0.00 0.04 0.00 0.00 34.50 32.51 1nca s PRO 126 CO 0.15 -0.28 1.80 1.55 0.04 0.00 0.00 177.00 180.26 1nca n VAL 127 N -0.89 5.09 0.00 -0.36 3.14 -1.26 -4.71 118.33 119.34 1nca n VAL 127 Ca 0.08 -5.17 0.00 0.00 -2.96 0.00 0.00 64.34 56.29 1nca n VAL 127 Cb 0.53 -2.10 0.00 0.00 -1.06 0.00 0.00 33.84 31.21 1nca n VAL 127 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1nca n GLY 129 N 0.00 -1.15 3.50 0.00 0.00 -1.26 -4.70 105.19 101.58 1nca n GLY 129 Ca 0.00 0.68 -0.41 0.00 0.00 0.00 0.00 46.02 46.29 1nca n GLY 129 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1nca n ASP 130 N -1.04 0.30 -4.57 1.61 2.03 -1.26 -4.75 116.55 108.87 1nca n ASP 130 Ca 0.05 0.18 -0.34 0.00 0.52 0.00 0.00 54.79 55.20 1nca n ASP 130 Cb 0.45 -0.92 -0.04 0.00 -0.72 0.00 0.00 41.12 39.89 1nca n ASP 130 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 1nca s THR 133 N 8.97 3.75 0.00 5.18 2.01 -0.87 -4.67 115.64 130.01 1nca s THR 133 Ca 1.36 -1.04 0.00 0.00 0.31 0.00 0.00 61.69 62.31 1nca s THR 133 Cb -1.26 -4.71 0.00 0.00 0.01 0.00 0.00 72.50 66.54 1nca s THR 133 CO 0.49 -1.44 0.00 0.41 -0.69 0.00 0.00 174.62 173.39 1nca n THR 134 N 7.27 0.00 -1.45 -0.82 -1.04 -1.26 -4.25 114.28 112.73 1nca n THR 134 Ca 0.43 0.00 -0.46 0.00 -2.04 0.00 0.00 64.05 61.97 1nca n THR 134 Cb 0.47 0.00 -0.10 0.00 -1.82 0.00 0.00 70.33 68.89 1nca n THR 134 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1nca n GLY 135 N -1.61 0.03 3.65 3.41 0.00 -1.26 -1.49 105.19 107.91 1nca n GLY 135 Ca 0.00 0.98 -0.23 0.00 0.00 0.00 0.00 46.02 46.77 1nca n GLY 135 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1nca n SER 136 N 10.87 -4.11 -3.97 1.61 7.64 -1.26 -4.99 113.62 119.41 1nca n SER 136 Ca 0.50 -0.66 -0.18 0.00 1.01 0.00 0.00 58.87 59.54 1nca n SER 136 Cb 0.19 -4.63 -0.15 0.00 -1.01 0.00 0.00 64.21 58.61 1nca n SER 136 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1nca s SER 137 N -3.74 0.93 -0.12 6.43 0.01 -0.56 -1.63 113.70 115.02 1nca s SER 137 Ca 0.37 -0.14 0.03 0.00 1.31 0.00 0.00 55.95 57.52 1nca s SER 137 Cb -0.17 -0.20 0.00 0.00 0.21 0.00 0.00 66.02 65.86 1nca s SER 137 CO 0.77 0.06 -0.22 0.54 0.41 0.00 0.00 173.24 174.79 1nca s VAL 138 N 0.11 2.14 0.03 3.43 0.11 0.28 -2.06 120.40 124.43 1nca s VAL 138 Ca -0.01 -0.98 -0.10 0.00 -2.93 0.00 0.00 61.98 57.96 1nca s VAL 138 Cb -0.06 -1.84 -0.05 0.00 -1.53 0.00 0.00 36.38 32.90 1nca s VAL 138 CO -0.00 0.55 0.35 -0.89 -3.33 0.00 0.00 175.10 171.78 1nca s THR 139 N 0.55 5.16 0.24 5.04 2.01 -1.26 -1.00 115.64 126.38 1nca s THR 139 Ca -0.13 0.44 -0.08 0.00 0.31 0.00 0.00 61.69 62.23 1nca s THR 139 Cb -0.17 -3.62 -0.02 0.00 0.01 0.00 0.00 72.50 68.70 1nca s THR 139 CO 0.04 0.40 0.35 -1.48 -0.69 0.00 0.00 174.62 173.24 1nca s LEU 140 N -1.62 0.68 0.00 4.42 2.34 0.10 -4.56 118.68 120.04 1nca s LEU 140 Ca 0.28 -1.14 -0.06 0.00 0.06 0.00 0.00 54.13 53.27 1nca s LEU 140 Cb -0.14 1.24 0.02 0.00 -0.56 0.00 0.00 46.19 46.75 1nca s LEU 140 CO 0.15 -1.05 0.40 0.61 -1.06 0.00 0.00 176.35 175.41 1nca n GLY 141 N -0.36 1.85 3.03 -3.48 0.00 -0.45 -1.32 105.19 104.47 1nca n GLY 141 Ca -0.00 -1.31 -0.13 0.00 0.00 0.00 0.00 46.02 44.59 1nca n GLY 141 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nca s LEU 143 N 1.36 3.49 -0.49 0.00 2.96 -0.84 -1.85 118.68 123.32 1nca s LEU 143 Ca -0.08 -1.10 -0.13 0.00 -0.22 0.00 0.00 54.13 52.60 1nca s LEU 143 Cb -0.11 -1.66 0.11 0.00 0.50 0.00 0.00 46.19 45.03 1nca s LEU 143 CO -0.08 -0.19 0.40 -0.69 -1.32 0.00 0.00 176.35 174.47 1nca s VAL 144 N 1.26 4.72 0.03 1.68 1.01 0.67 -0.65 120.40 129.13 1nca s VAL 144 Ca -0.03 -1.54 0.01 0.00 0.00 0.00 0.00 61.98 60.42 1nca s VAL 144 Cb -0.18 -4.01 -0.04 0.00 0.00 0.00 0.00 36.38 32.15 1nca s VAL 144 CO -0.03 -0.75 0.07 -0.75 0.00 0.00 0.00 175.10 173.63 1nca s LYS 145 N 1.49 2.95 -0.59 2.72 2.20 0.17 -1.57 119.74 127.11 1nca s LYS 145 Ca 0.04 -0.59 -0.02 0.00 -0.36 0.00 0.00 55.97 55.04 1nca s LYS 145 Cb -0.27 -2.78 -0.02 0.00 -1.51 0.00 0.00 37.83 33.25 1nca s LYS 145 CO 0.02 0.61 0.50 0.41 -0.36 0.00 0.00 175.35 176.53 1nca n GLY 146 N 0.90 -0.11 3.35 5.54 0.00 0.31 0.67 105.19 115.85 1nca n GLY 146 Ca -0.11 0.05 -0.18 0.00 0.00 0.00 0.00 46.02 45.77 1nca n GLY 146 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1nca s TYR 147 N -3.20 1.68 -0.18 1.61 1.13 -1.20 -4.28 117.35 112.91 1nca s TYR 147 Ca 0.15 -0.70 -0.17 0.00 -1.41 0.00 0.00 57.07 54.94 1nca s TYR 147 Cb -0.02 -0.88 0.05 0.00 -1.10 0.00 0.00 41.96 40.01 1nca s TYR 147 CO 0.39 0.22 0.49 0.12 -2.51 0.00 0.00 175.55 174.26 1nca s PHE 148 N -3.12 -0.53 0.70 -3.49 5.36 0.34 -1.37 117.98 115.88 1nca s PHE 148 Ca 0.25 1.29 0.02 0.00 -0.96 0.00 0.00 56.93 57.53 1nca s PHE 148 Cb 0.02 0.18 0.13 0.00 -0.34 0.00 0.00 43.02 43.01 1nca s PHE 148 CO 0.08 -0.26 0.97 -1.25 -1.46 0.00 0.00 175.22 173.29 1nca s PRO 149 N 0.24 1.73 0.19 10.12 0.05 -1.26 0.15 135.00 146.22 1nca s PRO 149 Ca -0.00 -1.33 -0.13 0.00 0.05 0.00 0.00 61.00 59.60 1nca s PRO 149 Cb -0.03 -2.40 -0.07 0.00 0.05 0.00 0.00 34.50 32.04 1nca s PRO 149 CO 0.01 -1.39 0.57 -2.00 0.05 0.00 0.00 177.00 174.24 1nca s GLU 150 N -5.06 3.91 0.64 4.56 2.12 -1.26 -4.81 118.70 118.81 1nca s GLU 150 Ca 0.66 0.42 -0.03 0.00 0.36 0.00 0.00 54.97 56.38 1nca s GLU 150 Cb -0.05 -2.78 0.05 0.00 0.26 0.00 0.00 34.13 31.62 1nca s GLU 150 CO 0.44 0.39 0.92 -1.25 -0.54 0.00 0.00 175.26 175.21 1nca s PRO 151 N -2.38 2.30 0.02 4.30 0.04 -1.26 -5.08 135.00 132.95 1nca s PRO 151 Ca 0.43 -0.52 0.02 0.00 0.04 0.00 0.00 61.00 60.97 1nca s PRO 151 Cb -0.13 -2.31 -0.02 0.00 0.04 0.00 0.00 34.50 32.09 1nca s PRO 151 CO 0.20 -1.05 -0.06 0.08 0.04 0.00 0.00 177.00 176.21 1nca s VAL 152 N -3.05 0.40 -0.26 -0.36 1.01 -1.26 -4.60 120.40 112.28 1nca s VAL 152 Ca 0.59 -0.72 -0.03 0.00 0.00 0.00 0.00 61.98 61.83 1nca s VAL 152 Cb -0.10 -0.44 0.03 0.00 0.00 0.00 0.00 36.38 35.86 1nca s VAL 152 CO 0.42 -0.22 -0.03 -0.89 0.00 0.00 0.00 175.10 174.38 1nca s THR 153 N -0.91 3.08 -0.29 3.92 2.01 -0.39 -4.98 115.64 118.08 1nca s THR 153 Ca -0.06 -1.00 -0.02 0.00 0.31 0.00 0.00 61.69 60.91 1nca s THR 153 Cb -0.07 -2.59 0.04 0.00 0.01 0.00 0.00 72.50 69.89 1nca s THR 153 CO 0.00 0.15 -0.01 -0.22 -0.69 0.00 0.00 174.62 173.85 1nca s LEU 154 N 1.35 3.71 0.06 4.42 0.20 -1.26 -1.66 118.68 125.50 1nca s LEU 154 Ca 0.00 -1.12 0.09 0.00 0.69 0.00 0.00 54.13 53.78 1nca s LEU 154 Cb -0.17 -1.71 -0.03 0.00 -0.43 0.00 0.00 46.19 43.84 1nca s LEU 154 CO -0.03 -0.22 -0.23 0.42 -0.29 0.00 0.00 176.35 176.00 1nca s THR 156 N 1.29 2.46 -0.37 3.68 -4.23 -0.88 -4.97 115.64 112.62 1nca s THR 156 Ca -0.03 -1.39 -0.16 0.00 -1.18 0.00 0.00 61.69 58.93 1nca s THR 156 Cb -0.19 -2.02 -0.00 0.00 1.34 0.00 0.00 72.50 71.63 1nca s THR 156 CO -0.02 0.29 0.38 0.26 -0.54 0.00 0.00 174.62 174.99 1nca s TRP 157 N -0.92 3.20 -0.70 3.99 0.52 -1.26 -1.23 118.94 122.54 1nca s TRP 157 Ca 0.14 -0.14 -0.04 0.00 0.02 0.00 0.00 56.10 56.08 1nca s TRP 157 Cb -0.10 -2.73 0.01 0.00 -1.15 0.00 0.00 33.47 29.49 1nca s TRP 157 CO 0.05 -0.51 0.67 0.09 0.02 0.00 0.00 176.95 177.26 1nca n ASN 162 N 5.44 -7.29 -1.22 2.95 5.03 0.26 -1.78 115.26 118.65 1nca n ASN 162 Ca -0.09 -0.12 -0.14 0.00 0.87 0.00 0.00 54.58 55.11 1nca n ASN 162 Cb 0.49 -4.64 -0.06 0.00 -1.02 0.00 0.00 39.78 34.55 1nca n ASN 162 CO 0.00 0.00 0.00 -1.20 -1.83 0.00 0.00 177.26 174.23 1nca n SER 163 N -1.62 -4.45 0.00 6.41 7.64 -1.26 0.52 113.62 120.86 1nca n SER 163 Ca -0.03 0.34 0.00 0.00 1.01 0.00 0.00 58.87 60.18 1nca n SER 163 Cb 0.53 -3.77 0.00 0.00 -1.01 0.00 0.00 64.21 59.96 1nca n SER 163 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1nca n GLY 164 N -0.11 0.89 0.28 0.23 0.00 -1.07 -4.87 105.19 100.54 1nca n GLY 164 Ca -0.14 0.00 0.18 0.00 0.00 0.00 0.00 46.02 46.07 1nca n GLY 164 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1nca h SER 165 N 0.00 0.00 -3.63 1.61 0.02 0.04 -3.38 113.55 108.21 1nca h SER 165 Ca 0.00 0.00 -0.70 0.00 -0.84 0.00 0.00 61.79 60.25 1nca h SER 165 Cb 0.00 0.00 -0.27 0.00 0.14 0.00 0.00 62.40 62.27 1nca h SER 165 CO 0.00 0.00 -0.57 -0.22 -1.14 0.00 0.00 176.83 174.90 1nca s LEU 166 N -5.96 4.47 -0.01 5.07 2.96 -0.73 -4.83 118.68 119.64 1nca s LEU 166 Ca -0.01 -1.06 0.02 0.00 -0.22 0.00 0.00 54.13 52.86 1nca s LEU 166 Cb 0.10 -1.93 -0.02 0.00 0.50 0.00 0.00 46.19 44.83 1nca s LEU 166 CO 0.48 -0.35 0.02 -1.20 -1.32 0.00 0.00 176.35 173.98 1nca n SER 167 N 4.89 4.58 -4.70 3.68 7.64 -1.26 -4.29 113.62 124.16 1nca n SER 167 Ca -0.12 0.00 -0.39 0.00 1.01 0.00 0.00 58.87 59.37 1nca n SER 167 Cb 0.45 0.75 -0.06 0.00 -1.01 0.00 0.00 64.21 64.34 1nca n SER 167 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1nca s SER 168 N -2.83 6.75 0.00 6.43 0.01 -1.26 -3.88 113.70 118.92 1nca s SER 168 Ca -0.01 0.90 0.00 0.00 1.31 0.00 0.00 55.95 58.15 1nca s SER 168 Cb 0.01 -2.33 0.00 0.00 0.21 0.00 0.00 66.02 63.90 1nca s SER 168 CO 0.07 -0.12 0.00 0.61 0.41 0.00 0.00 173.24 174.21 1nca n GLY 169 N 3.43 0.46 3.89 3.44 0.00 -1.26 -4.63 105.19 110.51 1nca n GLY 169 Ca -0.04 -0.86 -0.32 0.00 0.00 0.00 0.00 46.02 44.81 1nca n GLY 169 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1nca s VAL 171 N -2.13 5.26 -0.12 1.61 1.01 -1.25 -1.71 120.40 123.06 1nca s VAL 171 Ca 0.00 -0.38 -0.03 0.00 0.00 0.00 0.00 61.98 61.57 1nca s VAL 171 Cb 0.00 -3.52 0.05 0.00 0.00 0.00 0.00 36.38 32.91 1nca s VAL 171 CO 0.00 0.20 0.07 -1.00 0.00 0.00 0.00 175.10 174.37 1nca s HIS 172 N -1.43 0.30 -0.20 5.22 3.76 -0.59 -4.97 115.29 117.38 1nca s HIS 172 Ca 0.31 -0.19 -0.05 0.00 -0.15 0.00 0.00 55.06 54.99 1nca s HIS 172 Cb -0.13 -0.68 -0.02 0.00 1.11 0.00 0.00 32.58 32.86 1nca s HIS 172 CO 0.24 -0.41 -0.01 0.99 -0.85 0.00 0.00 174.74 174.70 1nca s THR 173 N 2.10 3.85 0.48 1.30 2.01 -1.26 -0.65 115.64 123.47 1nca s THR 173 Ca 0.03 -0.35 -0.16 0.00 0.31 0.00 0.00 61.69 61.52 1nca s THR 173 Cb -0.15 -2.74 -0.08 0.00 0.01 0.00 0.00 72.50 69.55 1nca s THR 173 CO -0.07 0.43 0.93 -0.36 -0.69 0.00 0.00 174.62 174.86 1nca s PHE 174 N 1.06 3.44 0.44 4.92 0.40 -0.49 -5.00 117.98 122.76 1nca s PHE 174 Ca 0.02 1.39 -0.25 0.00 -0.60 0.00 0.00 56.93 57.49 1nca s PHE 174 Cb -0.14 -2.72 -0.08 0.00 0.51 0.00 0.00 43.02 40.59 1nca s PHE 174 CO 0.01 -0.28 1.33 -2.14 0.70 0.00 0.00 175.22 174.84 1nca s PRO 175 N -3.92 3.75 0.71 0.24 0.02 -1.26 -4.47 135.00 130.07 1nca s PRO 175 Ca 0.58 2.20 -0.14 0.00 0.02 0.00 0.00 61.00 63.66 1nca s PRO 175 Cb -0.10 -2.62 0.03 0.00 0.02 0.00 0.00 34.50 31.82 1nca s PRO 175 CO 0.29 -0.69 1.13 0.00 -0.33 0.00 0.00 177.00 177.40 1nca s ALA 176 N -1.28 2.30 0.04 -1.55 0.00 -1.26 -4.79 121.76 115.22 1nca s ALA 176 Ca 0.61 0.55 0.04 0.00 0.00 0.00 0.00 51.96 53.15 1nca s ALA 176 Cb -0.39 -3.34 -0.02 0.00 0.00 0.00 0.00 23.12 19.37 1nca s ALA 176 CO 0.49 -1.57 -0.11 0.54 0.00 0.00 0.00 175.76 175.11 1nca s VAL 177 N -2.41 0.81 -0.24 0.00 0.11 -0.80 -4.96 120.40 112.91 1nca s VAL 177 Ca 0.67 -0.94 -0.09 0.00 -2.93 0.00 0.00 61.98 58.68 1nca s VAL 177 Cb -0.21 -0.78 -0.04 0.00 -1.53 0.00 0.00 36.38 33.81 1nca s VAL 177 CO 0.46 -0.13 0.13 -0.22 -3.33 0.00 0.00 175.10 172.01 1nca s LEU 178 N -1.20 3.86 -0.45 2.54 2.96 -1.26 -1.20 118.68 123.93 1nca s LEU 178 Ca -0.03 -0.01 -0.02 0.00 -0.22 0.00 0.00 54.13 53.85 1nca s LEU 178 Cb -0.08 -2.04 0.12 0.00 0.50 0.00 0.00 46.19 44.69 1nca s LEU 178 CO 0.01 0.02 0.24 -1.58 -1.32 0.00 0.00 176.35 173.73 1nca s GLN 179 N 1.30 2.08 0.21 1.98 0.74 0.08 -4.91 119.66 121.14 1nca s GLN 179 Ca 0.06 -2.00 0.00 0.00 0.05 0.00 0.00 55.36 53.47 1nca s GLN 179 Cb -0.14 -3.58 0.00 0.00 1.10 0.00 0.00 33.01 30.39 1nca s GLN 179 CO 0.06 -1.09 0.00 0.43 -0.55 0.00 0.00 175.29 174.14 1nca n SER 180 N 4.29 0.00 -0.09 6.67 7.64 -1.26 -2.37 113.62 128.50 1nca n SER 180 Ca 0.01 0.00 -0.11 0.00 1.01 0.00 0.00 58.87 59.78 1nca n SER 180 Cb 0.40 0.00 -0.10 0.00 -1.01 0.00 0.00 64.21 63.50 1nca n SER 180 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 1nca n ASP 183 N 2.03 2.04 -4.31 6.43 -0.08 -1.26 -5.07 116.55 116.32 1nca n ASP 183 Ca 0.00 -0.06 -0.23 0.00 -1.51 0.00 0.00 54.79 52.98 1nca n ASP 183 Cb 0.00 0.16 -0.09 0.00 2.34 0.00 0.00 41.12 43.52 1nca n ASP 183 CO 0.00 0.00 0.00 -0.76 0.12 0.00 0.00 177.20 176.56 1nca s LEU 184 N -5.72 2.06 0.16 -2.67 1.02 -1.00 -4.88 118.68 107.64 1nca s LEU 184 Ca -0.19 -1.51 -0.01 0.00 0.02 0.00 0.00 54.13 52.43 1nca s LEU 184 Cb 0.06 -0.24 -0.04 0.00 0.02 0.00 0.00 46.19 45.98 1nca s LEU 184 CO 0.51 -0.77 0.35 -0.31 0.02 0.00 0.00 176.35 176.16 1nca s TYR 185 N -3.28 3.49 -0.07 0.29 2.02 -0.47 -0.74 117.35 118.58 1nca s TYR 185 Ca 0.30 0.37 0.01 0.00 -0.37 0.00 0.00 57.07 57.38 1nca s TYR 185 Cb 0.06 -1.86 0.02 0.00 -0.40 0.00 0.00 41.96 39.77 1nca s TYR 185 CO 0.15 0.43 -0.08 0.99 -1.57 0.00 0.00 175.55 175.47 1nca s THR 186 N -1.75 0.92 0.02 -0.71 2.01 -0.34 -0.53 115.64 115.26 1nca s THR 186 Ca 0.38 -0.31 0.01 0.00 0.31 0.00 0.00 61.69 62.09 1nca s THR 186 Cb -0.12 -0.90 -0.02 0.00 0.01 0.00 0.00 72.50 71.48 1nca s THR 186 CO 0.28 0.32 -0.05 -0.22 -0.69 0.00 0.00 174.62 174.26 1nca s LEU 187 N 1.06 2.17 0.12 4.42 2.96 -0.61 -1.91 118.68 126.89 1nca s LEU 187 Ca -0.08 -0.39 -0.02 0.00 -0.22 0.00 0.00 54.13 53.43 1nca s LEU 187 Cb -0.14 -0.10 -0.04 0.00 0.50 0.00 0.00 46.19 46.41 1nca s LEU 187 CO -0.01 -0.15 0.07 -0.94 -1.32 0.00 0.00 176.35 174.00 1nca s SER 188 N -1.09 0.31 -0.14 3.68 1.04 -1.26 -0.23 113.70 116.01 1nca s SER 188 Ca -0.08 -1.12 -0.10 0.00 0.48 0.00 0.00 55.95 55.13 1nca s SER 188 Cb -0.07 0.29 0.04 0.00 0.10 0.00 0.00 66.02 66.38 1nca s SER 188 CO -0.00 -0.72 0.35 -0.94 0.98 0.00 0.00 173.24 172.91 1nca s SER 189 N -3.01 -0.39 0.13 7.02 1.04 -0.77 -1.39 113.70 116.32 1nca s SER 189 Ca 0.20 0.73 0.02 0.00 0.48 0.00 0.00 55.95 57.38 1nca s SER 189 Cb 0.07 0.68 -0.04 0.00 0.10 0.00 0.00 66.02 66.83 1nca s SER 189 CO -0.01 -0.15 0.25 -0.94 0.98 0.00 0.00 173.24 173.37 1nca s SER 190 N 0.77 6.27 -0.00 7.02 1.04 0.18 -2.33 113.70 126.64 1nca s SER 190 Ca -0.05 0.17 0.00 0.00 0.48 0.00 0.00 55.95 56.56 1nca s SER 190 Cb -0.06 -1.88 -0.00 0.00 0.10 0.00 0.00 66.02 64.18 1nca s SER 190 CO -0.05 0.09 -0.01 0.54 0.98 0.00 0.00 173.24 174.78 1nca s VAL 191 N -1.68 0.10 -0.20 5.02 0.11 -0.43 -1.54 120.40 121.79 1nca s VAL 191 Ca 0.34 -0.05 -0.02 0.00 -2.93 0.00 0.00 61.98 59.33 1nca s VAL 191 Cb -0.11 -0.10 0.00 0.00 -1.53 0.00 0.00 36.38 34.64 1nca s VAL 191 CO 0.28 0.03 -0.11 -0.89 -3.33 0.00 0.00 175.10 171.08 1nca s THR 192 N 0.00 2.87 0.47 5.04 2.01 -0.69 -0.72 115.64 124.63 1nca s THR 192 Ca 0.00 -0.67 0.03 0.00 0.31 0.00 0.00 61.69 61.36 1nca s THR 192 Cb -0.01 -2.27 -0.04 0.00 0.01 0.00 0.00 72.50 70.20 1nca s THR 192 CO -0.00 0.48 0.01 0.68 -0.69 0.00 0.00 174.62 175.09 1nca s VAL 193 N 1.28 1.40 0.52 3.82 -7.23 -0.17 -4.75 120.40 115.28 1nca s VAL 193 Ca 0.03 -2.00 -0.03 0.00 -1.81 0.00 0.00 61.98 58.17 1nca s VAL 193 Cb -0.14 -2.44 0.00 0.00 0.56 0.00 0.00 36.38 34.36 1nca s VAL 193 CO -0.05 0.00 0.79 0.42 -0.31 0.00 0.00 175.10 175.95 1nca s THR 194 N -2.85 3.84 0.54 5.32 -4.23 -1.26 -0.56 115.64 116.44 1nca s THR 194 Ca 0.16 -0.22 0.40 0.00 -1.18 0.00 0.00 61.69 60.86 1nca s THR 194 Cb 0.04 -3.47 0.42 0.00 1.34 0.00 0.00 72.50 70.83 1nca s THR 194 CO 0.08 -0.42 2.27 0.28 -0.54 0.00 0.00 174.62 176.30 1nca h SER 195 N 0.09 0.00 0.61 3.99 0.02 -1.58 -2.11 113.55 114.56 1nca h SER 195 Ca -0.46 0.00 -0.20 0.00 -0.84 0.00 0.00 61.79 60.29 1nca h SER 195 Cb 1.25 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.78 1nca h SER 195 CO 0.59 0.01 -0.91 0.28 -1.14 0.00 0.00 176.83 175.66 1nca h SER 196 N 0.00 0.26 1.74 3.07 0.02 -1.92 -3.32 113.55 113.39 1nca h SER 196 Ca -0.00 -0.22 0.00 0.00 -0.84 0.00 0.00 61.79 60.73 1nca h SER 196 Cb 0.12 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 62.58 1nca h SER 196 CO 0.00 1.04 0.00 0.71 -1.14 0.00 0.00 176.83 177.44 1nca h THR 198 N 0.10 0.00 -3.55 -2.27 1.35 -1.75 -3.41 112.91 103.38 1nca h THR 198 Ca -0.05 -0.85 -0.18 0.00 -0.55 0.00 0.00 66.41 64.79 1nca h THR 198 Cb 1.55 1.84 -0.24 0.00 -1.73 0.00 0.00 68.15 69.58 1nca h THR 198 CO 0.14 0.00 -0.57 0.86 -0.25 0.00 0.00 175.52 175.70 1nca s TRP 199 N -3.29 -0.02 -1.72 4.73 -0.00 -1.22 -0.92 118.94 116.50 1nca s TRP 199 Ca 0.06 0.05 0.30 0.00 -0.00 0.00 0.00 56.10 56.51 1nca s TRP 199 Cb 0.06 -0.02 1.56 0.00 -0.00 0.00 0.00 33.47 35.07 1nca s TRP 199 CO 0.63 -0.15 2.05 -2.30 -0.00 0.00 0.00 176.95 177.18 1nca n PRO 200 N 2.31 0.74 0.04 5.86 -0.02 -1.26 -4.69 135.00 137.98 1nca n PRO 200 Ca -0.17 -0.10 -0.11 0.00 -2.02 0.00 0.00 63.50 61.09 1nca n PRO 200 Cb 0.57 -1.50 -0.05 0.00 -0.02 0.00 0.00 33.50 32.51 1nca n PRO 200 CO 0.00 0.00 0.00 0.77 1.98 0.00 0.00 175.50 178.25 1nca h SER 202 N 0.25 -0.94 -2.87 2.55 0.02 -1.82 -3.42 113.55 107.32 1nca h SER 202 Ca 0.00 0.13 -0.56 0.00 -0.84 0.00 0.00 61.79 60.51 1nca h SER 202 Cb 0.22 0.39 -0.03 0.00 0.14 0.00 0.00 62.40 63.12 1nca h SER 202 CO 0.00 -0.37 -0.39 -1.10 -1.14 0.00 0.00 176.83 173.83 1nca s GLN 203 N -6.01 3.51 -0.73 3.45 -1.52 -0.10 -5.06 119.66 113.20 1nca s GLN 203 Ca -0.15 -0.36 -0.27 0.00 -1.95 0.00 0.00 55.36 52.63 1nca s GLN 203 Cb 0.10 -2.91 0.03 0.00 -0.22 0.00 0.00 33.01 30.01 1nca s GLN 203 CO 0.66 0.48 1.28 -1.12 -0.25 0.00 0.00 175.29 176.34 1nca s SER 204 N -2.88 6.17 -0.18 5.90 0.01 -1.26 -4.55 113.70 116.90 1nca s SER 204 Ca 0.37 -0.42 -0.24 0.00 1.31 0.00 0.00 55.95 56.98 1nca s SER 204 Cb -0.12 -2.56 -0.02 0.00 0.21 0.00 0.00 66.02 63.54 1nca s SER 204 CO 0.28 -1.83 0.77 -0.63 0.41 0.00 0.00 173.24 172.24 1nca s ILE 205 N 5.73 4.92 0.03 1.44 -1.09 -1.26 -4.99 121.20 125.98 1nca s ILE 205 Ca 0.36 1.49 0.07 0.00 -2.23 0.00 0.00 60.65 60.33 1nca s ILE 205 Cb -0.08 -4.07 -0.02 0.00 -1.58 0.00 0.00 42.46 36.70 1nca s ILE 205 CO 0.16 0.04 -0.20 -0.89 -1.23 0.00 0.00 174.94 172.81 1nca s THR 206 N 2.14 1.64 -0.38 2.92 2.01 -1.26 -2.69 115.64 120.01 1nca s THR 206 Ca 0.35 -1.12 -0.13 0.00 0.31 0.00 0.00 61.69 61.10 1nca s THR 206 Cb -0.16 -1.41 0.02 0.00 0.01 0.00 0.00 72.50 70.95 1nca s THR 206 CO 0.11 0.26 0.25 0.00 -0.69 0.00 0.00 174.62 174.55 1nca s ASN 209 N 1.64 5.80 -0.27 0.00 -0.87 -0.37 -1.67 114.94 119.20 1nca s ASN 209 Ca 0.04 -0.63 -0.02 0.00 -1.57 0.00 0.00 52.86 50.68 1nca s ASN 209 Cb -0.19 -2.06 0.03 0.00 -0.02 0.00 0.00 41.25 39.01 1nca s ASN 209 CO 0.09 -0.27 -0.03 -0.69 -2.57 0.00 0.00 177.10 173.63 1nca s VAL 210 N 1.64 3.02 -0.22 1.60 1.01 0.21 -2.08 120.40 125.57 1nca s VAL 210 Ca 0.05 -1.11 -0.08 0.00 0.00 0.00 0.00 61.98 60.84 1nca s VAL 210 Cb -0.18 -2.60 -0.04 0.00 0.00 0.00 0.00 36.38 33.56 1nca s VAL 210 CO 0.08 0.09 0.08 0.00 0.00 0.00 0.00 175.10 175.34 1nca s ALA 211 N 1.32 3.28 -0.42 5.51 0.00 -0.66 -0.08 121.76 130.71 1nca s ALA 211 Ca -0.01 -0.97 -0.01 0.00 0.00 0.00 0.00 51.96 50.96 1nca s ALA 211 Cb -0.18 -2.04 0.11 0.00 0.00 0.00 0.00 23.12 21.01 1nca s ALA 211 CO -0.03 -0.22 0.20 -1.58 0.00 0.00 0.00 175.76 174.13 1nca s HIS 212 N 1.13 3.59 0.01 0.00 2.46 0.41 -1.27 115.29 121.62 1nca s HIS 212 Ca 0.05 -2.57 0.32 0.00 0.47 0.00 0.00 55.06 53.32 1nca s HIS 212 Cb -0.14 -3.16 1.19 0.00 -0.13 0.00 0.00 32.58 30.33 1nca s HIS 212 CO 0.03 -0.95 1.92 -1.00 -2.47 0.00 0.00 174.74 172.27 1nca h PRO 213 N 7.83 0.00 -0.31 2.88 0.13 -1.82 -0.18 132.00 140.53 1nca h PRO 213 Ca -0.10 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.96 1nca h PRO 213 Cb 1.03 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.14 1nca h PRO 213 CO 0.67 0.00 -0.08 0.00 -0.23 0.00 0.00 178.00 178.36 1nca h ALA 214 N 2.00 1.28 -0.22 -0.56 0.00 -1.90 -3.11 119.26 116.75 1nca h ALA 214 Ca -0.00 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.66 1nca h ALA 214 Cb 0.60 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1nca h ALA 214 CO 0.00 0.48 0.00 -1.13 0.00 0.00 0.00 179.25 178.60 1nca n SER 215 N -4.23 2.53 -3.55 0.00 3.41 -1.14 -4.99 113.62 105.65 1nca n SER 215 Ca 0.01 -1.83 -0.20 0.00 -0.26 0.00 0.00 58.87 56.59 1nca n SER 215 Cb 0.30 -0.15 0.06 0.00 -0.26 0.00 0.00 64.21 64.16 1nca n SER 215 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1nca n SER 216 N 0.44 -2.51 -4.62 4.04 7.64 -0.65 -4.94 113.62 113.02 1nca n SER 216 Ca 0.09 -0.76 -0.33 0.00 1.01 0.00 0.00 58.87 58.88 1nca n SER 216 Cb 0.36 -4.49 -0.10 0.00 -1.01 0.00 0.00 64.21 58.97 1nca n SER 216 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1nca s THR 217 N -3.52 3.83 -0.26 0.44 2.01 -0.17 -4.98 115.64 112.97 1nca s THR 217 Ca 0.10 -0.65 -0.06 0.00 0.31 0.00 0.00 61.69 61.39 1nca s THR 217 Cb -0.02 -2.66 0.13 0.00 0.01 0.00 0.00 72.50 69.96 1nca s THR 217 CO 0.78 0.44 0.54 -0.54 -0.69 0.00 0.00 174.62 175.15 1nca s LYS 218 N -1.32 0.47 0.08 4.92 3.01 -1.22 -0.44 119.74 125.24 1nca s LYS 218 Ca 0.17 1.12 0.06 0.00 -1.01 0.00 0.00 55.97 56.31 1nca s LYS 218 Cb -0.11 0.48 -0.03 0.00 -1.01 0.00 0.00 37.83 37.15 1nca s LYS 218 CO 0.07 -0.36 -0.16 0.08 0.51 0.00 0.00 175.35 175.48 1nca s VAL 219 N 2.76 1.32 -0.24 3.17 1.01 0.89 -4.96 120.40 124.36 1nca s VAL 219 Ca 0.04 -1.40 -0.02 0.00 0.00 0.00 0.00 61.98 60.59 1nca s VAL 219 Cb -0.13 -1.25 0.08 0.00 0.00 0.00 0.00 36.38 35.07 1nca s VAL 219 CO -0.17 -0.18 0.07 -1.81 0.00 0.00 0.00 175.10 173.01 1nca s ASP 220 N -1.83 3.35 -0.25 3.32 1.11 -1.26 0.66 116.67 121.77 1nca s ASP 220 Ca 0.01 -1.14 -0.05 0.00 0.18 0.00 0.00 52.55 51.55 1nca s ASP 220 Cb -0.10 -0.64 -0.01 0.00 1.07 0.00 0.00 42.92 43.24 1nca s ASP 220 CO 0.03 -0.36 0.01 -0.54 1.18 0.00 0.00 175.17 175.49 1nca s LYS 221 N 1.82 3.32 0.12 8.23 -0.14 -0.67 -4.95 119.74 127.46 1nca s LYS 221 Ca 0.04 -0.68 -0.30 0.00 -1.36 0.00 0.00 55.97 53.67 1nca s LYS 221 Cb -0.17 -3.17 -0.06 0.00 -1.68 0.00 0.00 37.83 32.75 1nca s LYS 221 CO -0.18 -0.27 1.05 0.15 -0.76 0.00 0.00 175.35 175.34 1nca s LYS 222 N 1.50 4.60 -0.66 1.68 1.02 -1.26 -1.58 119.74 125.04 1nca s LYS 222 Ca 0.05 1.60 -0.23 0.00 0.02 0.00 0.00 55.97 57.40 1nca s LYS 222 Cb -0.15 -3.34 0.06 0.00 -0.52 0.00 0.00 37.83 33.88 1nca s LYS 222 CO -0.00 0.06 1.00 0.42 -0.92 0.00 0.00 175.35 175.91 1nca s ILE 223 N 0.18 4.25 0.43 2.17 1.09 -1.09 -4.80 121.20 123.42 1nca s ILE 223 Ca 0.50 -0.20 -0.24 0.00 -1.10 0.00 0.00 60.65 59.62 1nca s ILE 223 Cb -0.26 -4.70 -0.08 0.00 -1.06 0.00 0.00 42.46 36.36 1nca s ILE 223 CO 0.31 -1.48 1.17 -0.70 -0.10 0.00 0.00 174.94 174.15 1nca s GLU 224 N 4.27 3.89 0.48 2.79 2.12 -1.26 -4.77 118.70 126.23 1nca s GLU 224 Ca 0.25 1.81 0.19 0.00 0.36 0.00 0.00 54.97 57.58 1nca s GLU 224 Cb -0.15 -2.53 1.20 0.00 0.26 0.00 0.00 34.13 32.91 1nca s GLU 224 CO 0.12 -0.45 2.00 -1.00 -0.54 0.00 0.00 175.26 175.38 1nca h PRO 225 N 2.32 0.20 -5.07 4.30 0.13 -1.95 -3.45 132.00 128.48 1nca h PRO 225 Ca -0.49 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 1nca h PRO 225 Cb 1.24 -0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1nca h PRO 225 CO 0.61 0.13 0.00 2.89 -0.23 0.00 0.00 178.00 181.40 1nca n ARG 226 N -4.44 -0.78 0.00 0.86 1.85 -1.26 -4.75 116.66 108.13 1nca n ARG 226 Ca 0.09 -0.29 0.00 0.00 -1.00 0.00 0.00 57.85 56.65 1nca n ARG 226 Cb 0.45 0.52 0.00 0.00 -1.05 0.00 0.00 32.46 32.38 1nca n ARG 226 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03