#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2d6m n SER 0 N 0.00 0.37 -4.07 1.61 3.41 -1.26 -4.73 113.62 108.95 2d6m n SER 0 Ca 0.00 -0.64 -0.23 0.00 -0.26 0.00 0.00 58.87 57.74 2d6m n SER 0 Cb 0.00 -0.09 -0.16 0.00 -0.26 0.00 0.00 64.21 63.70 2d6m n SER 0 CO 0.00 0.00 0.00 -0.32 -0.16 0.00 0.00 175.04 174.56 2d6m s MET 1 N -2.37 1.34 0.10 4.33 0.00 -1.26 -5.12 119.30 116.33 2d6m s MET 1 Ca 0.33 -0.46 -0.31 0.00 0.00 0.00 0.00 55.69 55.25 2d6m s MET 1 Cb 0.21 -1.21 -0.08 0.00 0.00 0.00 0.00 34.83 33.75 2d6m s MET 1 CO 0.44 0.19 1.43 0.00 0.00 0.00 0.00 175.02 177.08 2d6m s ALA 2 N 0.07 3.62 0.00 4.11 0.00 -1.26 -5.02 121.76 123.28 2d6m s ALA 2 Ca -0.02 1.12 0.08 0.00 0.00 0.00 0.00 51.96 53.13 2d6m s ALA 2 Cb -0.10 -3.56 -0.02 0.00 0.00 0.00 0.00 23.12 19.44 2d6m s ALA 2 CO 0.01 -0.70 -0.23 -0.51 0.00 0.00 0.00 175.76 174.33 2d6m s LEU 3 N 1.37 2.25 0.06 0.00 1.43 -1.26 -4.42 118.68 118.11 2d6m s LEU 3 Ca 0.66 -0.46 0.08 0.00 -1.03 0.00 0.00 54.13 53.38 2d6m s LEU 3 Cb -0.37 -1.38 -0.03 0.00 0.03 0.00 0.00 46.19 44.44 2d6m s LEU 3 CO 0.30 0.30 -0.23 -0.36 0.23 0.00 0.00 176.35 176.59 2d6m s PHE 4 N -0.72 2.01 0.37 0.29 0.08 0.36 -4.91 117.98 115.46 2d6m s PHE 4 Ca 0.11 -0.39 -0.27 0.00 0.12 0.00 0.00 56.93 56.50 2d6m s PHE 4 Cb -0.10 -1.18 -0.09 0.00 -0.57 0.00 0.00 43.02 41.08 2d6m s PHE 4 CO 0.01 0.14 1.28 -1.12 -0.10 0.00 0.00 175.22 175.43 2d6m s SER 5 N -1.38 6.55 -0.04 1.36 0.01 -1.26 0.07 113.70 119.01 2d6m s SER 5 Ca 0.09 2.63 0.11 0.00 1.31 0.00 0.00 55.95 60.09 2d6m s SER 5 Cb -0.09 -2.64 -0.16 0.00 0.21 0.00 0.00 66.02 63.33 2d6m s SER 5 CO 0.03 -0.68 0.18 0.00 0.41 0.00 0.00 173.24 173.17 2d6m n ALA 6 N 0.42 2.20 -3.37 1.44 0.00 -0.07 -4.75 120.51 116.38 2d6m n ALA 6 Ca 0.02 -0.41 -0.14 0.00 0.00 0.00 0.00 53.44 52.92 2d6m n ALA 6 Cb 0.43 -0.25 -0.04 0.00 0.00 0.00 0.00 19.45 19.59 2d6m n ALA 6 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.50 178.64 2d6m s GLN 7 N -2.62 1.15 0.23 0.00 -2.07 -1.24 -4.98 119.66 110.14 2d6m s GLN 7 Ca -0.04 -0.29 -0.30 0.00 -1.82 0.00 0.00 55.36 52.91 2d6m s GLN 7 Cb 0.06 0.53 -0.15 0.00 -1.09 0.00 0.00 33.01 32.36 2d6m s GLN 7 CO 0.46 -0.45 0.99 0.43 -1.32 0.00 0.00 175.29 175.40 2d6m n SER 8 N 0.10 0.93 -4.75 12.60 7.64 -1.26 -4.42 113.62 124.46 2d6m n SER 8 Ca -0.18 1.16 -0.37 0.00 1.01 0.00 0.00 58.87 60.50 2d6m n SER 8 Cb 0.62 -1.21 0.04 0.00 -1.01 0.00 0.00 64.21 62.65 2d6m n SER 8 CO 0.00 0.00 0.00 -2.84 -3.01 0.00 0.00 175.04 169.19 2d6m s PRO 9 N -1.06 2.90 -0.20 1.43 0.02 -1.26 -4.83 135.00 132.00 2d6m s PRO 9 Ca 0.65 1.96 -0.23 0.00 0.02 0.00 0.00 61.00 63.40 2d6m s PRO 9 Cb -0.79 -1.97 -0.02 0.00 0.02 0.00 0.00 34.50 31.74 2d6m s PRO 9 CO 0.57 -1.30 0.72 0.71 -0.33 0.00 0.00 177.00 177.38 2d6m s TYR 10 N -1.48 3.37 -0.16 6.54 4.12 0.11 -4.97 117.35 124.88 2d6m s TYR 10 Ca 0.78 1.05 -0.06 0.00 0.02 0.00 0.00 57.07 58.85 2d6m s TYR 10 Cb -0.34 -2.91 -0.04 0.00 -1.52 0.00 0.00 41.96 37.15 2d6m s TYR 10 CO 0.37 -0.25 0.06 0.42 0.02 0.00 0.00 175.55 176.17 2d6m s ILE 11 N 2.20 4.78 -1.51 2.71 1.09 -1.26 -1.07 121.20 128.15 2d6m s ILE 11 Ca 0.32 -0.04 -0.03 0.00 -1.10 0.00 0.00 60.65 59.80 2d6m s ILE 11 Cb -0.16 -3.13 0.00 0.00 -1.06 0.00 0.00 42.46 38.12 2d6m s ILE 11 CO 0.10 0.50 0.09 0.59 -0.10 0.00 0.00 174.94 176.12 2d6m n ASN 12 N 3.15 0.41 -4.74 3.58 3.02 0.77 -4.85 115.26 116.60 2d6m n ASN 12 Ca -0.17 -1.26 -0.42 0.00 -0.03 0.00 0.00 54.58 52.70 2d6m n ASN 12 Cb 0.53 -1.70 -0.02 0.00 -0.61 0.00 0.00 39.78 37.97 2d6m n ASN 12 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 2d6m s PRO 13 N -7.34 4.20 0.04 3.52 0.04 -1.26 -4.93 135.00 129.27 2d6m s PRO 13 Ca 0.04 2.43 -0.25 0.00 0.04 0.00 0.00 61.00 63.26 2d6m s PRO 13 Cb -0.02 -3.08 -0.05 0.00 0.04 0.00 0.00 34.50 31.38 2d6m s PRO 13 CO 0.99 -0.54 0.79 0.42 0.04 0.00 0.00 177.00 178.69 2d6m s ILE 14 N 0.21 4.75 -0.07 0.56 1.01 -1.26 -4.34 121.20 122.05 2d6m s ILE 14 Ca 0.63 1.67 -0.20 0.00 0.00 0.00 0.00 60.65 62.76 2d6m s ILE 14 Cb -0.45 -4.14 -0.05 0.00 0.01 0.00 0.00 42.46 37.84 2d6m s ILE 14 CO 0.43 0.34 0.55 -0.63 0.00 0.00 0.00 174.94 175.63 2d6m s ILE 15 N 0.08 5.07 0.24 2.92 -1.09 -1.26 -2.85 121.20 124.31 2d6m s ILE 15 Ca 0.40 1.12 -0.30 0.00 -2.23 0.00 0.00 60.65 59.65 2d6m s ILE 15 Cb -0.20 -3.89 -0.09 0.00 -1.58 0.00 0.00 42.46 36.70 2d6m s ILE 15 CO 0.23 0.36 1.16 -2.16 -1.23 0.00 0.00 174.94 173.30 2d6m s PRO 16 N 0.30 4.55 -0.09 2.79 0.04 -1.26 -5.02 135.00 136.31 2d6m s PRO 16 Ca 0.29 1.88 0.03 0.00 0.04 0.00 0.00 61.00 63.24 2d6m s PRO 16 Cb -0.17 -3.20 -0.02 0.00 0.04 0.00 0.00 34.50 31.16 2d6m s PRO 16 CO 0.14 0.04 -0.17 0.12 0.04 0.00 0.00 177.00 177.17 2d6m s PHE 17 N -0.69 2.68 -0.03 0.56 5.36 0.09 -4.98 117.98 120.97 2d6m s PHE 17 Ca 0.48 -0.52 0.01 0.00 -0.96 0.00 0.00 56.93 55.94 2d6m s PHE 17 Cb -0.33 -1.71 0.02 0.00 -0.34 0.00 0.00 43.02 40.66 2d6m s PHE 17 CO 0.41 -0.09 -0.04 0.99 -1.46 0.00 0.00 175.22 175.03 2d6m s THR 18 N -0.12 0.45 0.19 0.12 2.01 -1.26 0.12 115.64 117.15 2d6m s THR 18 Ca -0.02 -0.09 -0.20 0.00 0.31 0.00 0.00 61.69 61.68 2d6m s THR 18 Cb -0.14 -0.47 0.04 0.00 0.01 0.00 0.00 72.50 71.94 2d6m s THR 18 CO 0.04 0.19 0.57 -0.83 -0.69 0.00 0.00 174.62 173.90 2d6m s GLY 19 N 0.78 -0.32 0.47 4.40 0.00 -0.32 -5.00 107.32 107.34 2d6m s GLY 19 Ca -0.10 0.06 -0.22 0.00 0.00 0.00 0.00 44.72 44.47 2d6m s GLY 19 CO -0.00 -0.07 1.13 2.56 0.00 0.00 0.00 173.10 176.71 2d6m s PRO 20 N -3.83 3.72 -0.48 2.90 0.04 -1.26 -0.74 135.00 135.36 2d6m s PRO 20 Ca 0.06 1.65 -0.10 0.00 0.04 0.00 0.00 61.00 62.65 2d6m s PRO 20 Cb -0.02 -2.29 0.12 0.00 0.04 0.00 0.00 34.50 32.35 2d6m s PRO 20 CO -0.06 -0.55 0.36 0.42 0.04 0.00 0.00 177.00 177.20 2d6m s ILE 21 N -1.66 4.27 -0.16 0.56 1.01 -0.26 -4.75 121.20 120.20 2d6m s ILE 21 Ca 0.65 -1.78 -0.29 0.00 0.00 0.00 0.00 60.65 59.23 2d6m s ILE 21 Cb -0.25 -3.81 -0.04 0.00 0.01 0.00 0.00 42.46 38.37 2d6m s ILE 21 CO 0.30 -0.78 1.72 -1.10 0.00 0.00 0.00 174.94 175.08 2d6m s GLN 22 N 1.36 3.84 0.00 2.79 -0.21 -1.26 -1.48 119.66 124.70 2d6m s GLN 22 Ca 0.06 1.91 0.00 0.00 0.02 0.00 0.00 55.36 57.34 2d6m s GLN 22 Cb -0.26 -4.07 0.00 0.00 1.00 0.00 0.00 33.01 29.67 2d6m s GLN 22 CO -0.01 -1.25 0.00 0.41 -2.12 0.00 0.00 175.29 172.32 2d6m n GLY 23 N 4.65 0.78 0.00 3.09 0.00 -1.26 -4.91 105.19 107.54 2d6m n GLY 23 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.22 2d6m n GLY 23 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2d6m n GLY 24 N -2.26 -0.96 3.75 -0.02 0.00 -0.55 -4.90 105.19 100.25 2d6m n GLY 24 Ca 0.00 -1.61 -0.39 0.00 0.00 0.00 0.00 46.02 44.02 2d6m n GLY 24 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2d6m s LEU 25 N -2.79 3.91 0.03 0.99 1.43 -0.78 -5.01 118.68 116.45 2d6m s LEU 25 Ca 0.00 2.75 -0.00 0.00 -1.03 0.00 0.00 54.13 55.85 2d6m s LEU 25 Cb 0.00 -4.21 -0.02 0.00 0.03 0.00 0.00 46.19 41.98 2d6m s LEU 25 CO 0.00 -1.45 -0.03 -1.10 0.23 0.00 0.00 176.35 174.00 2d6m s GLN 26 N -2.81 0.38 0.22 1.70 -1.52 -1.26 -4.05 119.66 112.31 2d6m s GLN 26 Ca 0.69 -0.74 -0.32 0.00 -1.95 0.00 0.00 55.36 53.04 2d6m s GLN 26 Cb -0.40 0.13 -0.14 0.00 -0.22 0.00 0.00 33.01 32.39 2d6m s GLN 26 CO 0.48 -0.07 1.41 -1.91 -0.25 0.00 0.00 175.29 174.96 2d6m n GLU 27 N 1.26 1.95 -0.63 2.91 2.13 -1.26 -1.74 120.64 125.26 2d6m n GLU 27 Ca -0.22 0.70 0.00 0.00 0.66 0.00 0.00 57.16 58.30 2d6m n GLU 27 Cb 0.56 -2.36 0.00 0.00 0.27 0.00 0.00 31.44 29.91 2d6m n GLU 27 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2d6m n GLY 28 N 2.36 0.88 3.73 8.31 0.00 0.12 -4.96 105.19 115.63 2d6m n GLY 28 Ca 0.13 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.74 2d6m n GLY 28 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2d6m s LEU 29 N 0.00 4.48 -0.18 0.99 2.96 -0.71 -2.92 118.68 123.29 2d6m s LEU 29 Ca 0.00 1.97 -0.00 0.00 -0.22 0.00 0.00 54.13 55.88 2d6m s LEU 29 Cb 0.00 -3.60 0.01 0.00 0.50 0.00 0.00 46.19 43.10 2d6m s LEU 29 CO 0.00 -0.19 -0.16 -1.10 -1.32 0.00 0.00 176.35 173.58 2d6m s GLN 30 N -0.08 3.11 -0.26 1.98 -0.21 0.14 -0.73 119.66 123.62 2d6m s GLN 30 Ca 0.49 -0.77 -0.06 0.00 0.02 0.00 0.00 55.36 55.04 2d6m s GLN 30 Cb -0.27 -2.67 -0.01 0.00 1.00 0.00 0.00 33.01 31.06 2d6m s GLN 30 CO 0.32 -0.17 0.05 0.08 -2.12 0.00 0.00 175.29 173.46 2d6m s VAL 31 N 1.25 3.99 -0.15 1.09 1.01 0.42 -1.33 120.40 126.69 2d6m s VAL 31 Ca 0.03 -0.45 -0.00 0.00 0.00 0.00 0.00 61.98 61.56 2d6m s VAL 31 Cb -0.14 -2.94 -0.01 0.00 0.00 0.00 0.00 36.38 33.30 2d6m s VAL 31 CO -0.09 0.25 -0.14 -0.89 0.00 0.00 0.00 175.10 174.23 2d6m s THR 32 N 1.54 2.81 -0.18 3.92 2.01 -0.41 -0.39 115.64 124.94 2d6m s THR 32 Ca 0.05 -0.73 -0.06 0.00 0.31 0.00 0.00 61.69 61.26 2d6m s THR 32 Cb -0.16 -2.19 -0.03 0.00 0.01 0.00 0.00 72.50 70.13 2d6m s THR 32 CO 0.02 0.51 0.01 -0.76 -0.69 0.00 0.00 174.62 173.71 2d6m s LEU 33 N 0.70 3.46 -0.18 4.42 1.02 0.11 -1.02 118.68 127.19 2d6m s LEU 33 Ca -0.07 -0.08 -0.01 0.00 0.02 0.00 0.00 54.13 54.00 2d6m s LEU 33 Cb -0.15 -1.87 0.00 0.00 0.02 0.00 0.00 46.19 44.19 2d6m s LEU 33 CO 0.02 0.13 -0.12 -1.58 0.02 0.00 0.00 176.35 174.82 2d6m s GLN 34 N 0.59 3.24 0.00 1.70 2.00 -0.46 -0.38 119.66 126.35 2d6m s GLN 34 Ca 0.00 -0.72 0.00 0.00 -2.00 0.00 0.00 55.36 52.65 2d6m s GLN 34 Cb -0.14 -2.75 0.00 0.00 0.80 0.00 0.00 33.01 30.92 2d6m s GLN 34 CO 0.02 -0.10 0.00 0.41 -0.50 0.00 0.00 175.29 175.12 2d6m n GLY 35 N 4.42 2.59 2.87 2.59 0.00 -0.85 0.10 105.19 116.91 2d6m n GLY 35 Ca -0.19 -0.80 -0.17 0.00 0.00 0.00 0.00 46.02 44.86 2d6m n GLY 35 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2d6m s THR 36 N -2.90 0.29 0.02 2.61 2.01 -0.04 -0.47 115.64 117.16 2d6m s THR 36 Ca 0.00 -0.04 -0.30 0.00 0.31 0.00 0.00 61.69 61.66 2d6m s THR 36 Cb 0.00 -0.33 -0.05 0.00 0.01 0.00 0.00 72.50 72.14 2d6m s THR 36 CO 0.00 0.14 1.15 -0.89 -0.69 0.00 0.00 174.62 174.33 2d6m s THR 37 N 0.62 4.26 0.63 -0.82 2.01 -0.71 -1.19 115.64 120.44 2d6m s THR 37 Ca -0.07 1.61 -0.18 0.00 0.31 0.00 0.00 61.69 63.37 2d6m s THR 37 Cb -0.10 -4.03 -0.03 0.00 0.01 0.00 0.00 72.50 68.35 2d6m s THR 37 CO -0.01 0.10 1.05 0.29 -0.69 0.00 0.00 174.62 175.36 2d6m n LYS 38 N 4.19 0.89 0.25 4.92 5.02 -0.53 -0.35 118.16 132.54 2d6m n LYS 38 Ca 0.09 0.35 0.08 0.00 -2.02 0.00 0.00 58.31 56.81 2d6m n LYS 38 Cb 0.47 -2.28 0.62 0.00 -0.02 0.00 0.00 35.03 33.83 2d6m n LYS 38 CO 0.00 0.00 0.00 0.77 -0.52 0.00 0.00 177.40 177.65 2d6m h SER 39 N 0.37 0.00 -0.78 4.39 0.02 -1.89 -2.59 113.55 113.07 2d6m h SER 39 Ca -0.49 0.00 -0.54 0.00 -0.84 0.00 0.00 61.79 59.92 2d6m h SER 39 Cb 1.36 0.00 -0.43 0.00 0.14 0.00 0.00 62.40 63.47 2d6m h SER 39 CO 0.51 0.12 -0.83 0.49 -1.14 0.00 0.00 176.83 175.98 2d6m n PHE 40 N -4.15 2.73 -1.76 3.45 3.72 -1.26 -4.49 117.46 115.70 2d6m n PHE 40 Ca -0.02 -2.26 -0.41 0.00 -0.05 0.00 0.00 57.45 54.71 2d6m n PHE 40 Cb 0.20 -0.32 0.01 0.00 -0.94 0.00 0.00 39.48 38.42 2d6m n PHE 40 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2d6m n ALA 41 N -0.69 2.08 -0.07 4.37 0.00 -1.00 -4.95 120.51 120.25 2d6m n ALA 41 Ca 0.42 0.31 -0.15 0.00 0.00 0.00 0.00 53.44 54.02 2d6m n ALA 41 Cb 0.95 -2.38 -0.05 0.00 0.00 0.00 0.00 19.45 17.96 2d6m n ALA 41 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2d6m n GLN 42 N 0.20 0.35 -3.87 0.00 6.02 -1.26 -4.73 117.38 114.09 2d6m n GLN 42 Ca 0.03 0.15 -0.09 0.00 -0.01 0.00 0.00 57.00 57.09 2d6m n GLN 42 Cb 0.39 -1.10 -0.08 0.00 1.02 0.00 0.00 30.24 30.48 2d6m n GLN 42 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 2d6m s ARG 43 N -2.38 0.81 0.15 -1.09 0.52 -1.26 0.14 118.95 115.84 2d6m s ARG 43 Ca -0.22 -0.93 -0.04 0.00 -0.52 0.00 0.00 55.73 54.01 2d6m s ARG 43 Cb 0.07 0.32 -0.03 0.00 0.52 0.00 0.00 34.95 35.84 2d6m s ARG 43 CO 0.29 -0.25 0.16 -0.59 0.02 0.00 0.00 175.30 174.93 2d6m s PHE 44 N -3.69 0.70 -0.02 -0.53 -0.71 -1.00 -1.31 117.98 111.42 2d6m s PHE 44 Ca 0.04 -1.05 0.01 0.00 -1.04 0.00 0.00 56.93 54.88 2d6m s PHE 44 Cb 0.04 -0.31 0.01 0.00 -1.21 0.00 0.00 43.02 41.56 2d6m s PHE 44 CO -0.10 -0.62 -0.04 0.08 -1.34 0.00 0.00 175.22 173.21 2d6m s VAL 45 N -4.03 0.37 -0.17 -2.49 1.01 0.33 -3.13 120.40 112.30 2d6m s VAL 45 Ca 0.23 -0.11 0.01 0.00 0.00 0.00 0.00 61.98 62.10 2d6m s VAL 45 Cb 0.06 -0.37 0.02 0.00 0.00 0.00 0.00 36.38 36.09 2d6m s VAL 45 CO 0.02 0.15 -0.17 -0.69 0.00 0.00 0.00 175.10 174.41 2d6m s VAL 46 N 0.45 1.85 -0.12 2.92 1.01 -0.30 -1.50 120.40 124.71 2d6m s VAL 46 Ca -0.05 -0.85 0.01 0.00 0.00 0.00 0.00 61.98 61.09 2d6m s VAL 46 Cb -0.08 -1.72 -0.01 0.00 0.00 0.00 0.00 36.38 34.57 2d6m s VAL 46 CO -0.00 0.46 -0.16 0.20 0.00 0.00 0.00 175.10 175.60 2d6m s ASN 47 N 1.37 3.76 -0.34 3.32 0.02 0.34 -0.92 114.94 122.49 2d6m s ASN 47 Ca 0.04 -0.39 -0.10 0.00 -1.02 0.00 0.00 52.86 51.40 2d6m s ASN 47 Cb -0.13 -1.55 0.02 0.00 0.02 0.00 0.00 41.25 39.60 2d6m s ASN 47 CO -0.11 0.17 0.16 -0.36 0.02 0.00 0.00 177.10 176.97 2d6m s PHE 48 N 0.33 3.21 0.19 2.20 0.08 -0.11 -1.16 117.98 122.74 2d6m s PHE 48 Ca -0.13 -0.89 0.01 0.00 0.12 0.00 0.00 56.93 56.03 2d6m s PHE 48 Cb -0.16 -2.37 -0.05 0.00 -0.57 0.00 0.00 43.02 39.87 2d6m s PHE 48 CO 0.07 -0.59 0.06 1.14 -0.10 0.00 0.00 175.22 175.80 2d6m s GLN 49 N 1.55 1.18 -0.37 0.44 -2.07 -0.30 -0.76 119.66 119.32 2d6m s GLN 49 Ca 0.02 -1.60 -0.11 0.00 -1.82 0.00 0.00 55.36 51.86 2d6m s GLN 49 Cb -0.18 -0.07 0.03 0.00 -1.09 0.00 0.00 33.01 31.70 2d6m s GLN 49 CO 0.06 -0.25 0.20 1.21 -1.32 0.00 0.00 175.29 175.19 2d6m s ASN 50 N -3.19 5.70 0.19 12.60 3.84 -0.10 -1.69 114.94 132.30 2d6m s ASN 50 Ca 0.31 -1.03 0.00 0.00 0.21 0.00 0.00 52.86 52.34 2d6m s ASN 50 Cb 0.07 -2.01 0.00 0.00 -0.55 0.00 0.00 41.25 38.76 2d6m s ASN 50 CO 0.08 -0.39 0.00 -0.24 -2.79 0.00 0.00 177.10 173.76 2d6m n SER 51 N 4.98 -2.26 0.03 -4.21 2.88 -1.26 -4.54 113.62 109.24 2d6m n SER 51 Ca -0.12 0.27 0.04 0.00 -1.33 0.00 0.00 58.87 57.73 2d6m n SER 51 Cb 0.46 -0.76 -0.09 0.00 -0.75 0.00 0.00 64.21 63.07 2d6m n SER 51 CO 0.00 0.00 0.00 2.22 -1.23 0.00 0.00 175.04 176.03 2d6m n PHE 52 N -1.39 0.67 0.66 0.66 1.16 -1.26 -4.37 117.46 113.59 2d6m n PHE 52 Ca 0.00 0.21 0.12 0.00 -1.87 0.00 0.00 57.45 55.92 2d6m n PHE 52 Cb 0.11 -0.93 0.46 0.00 -1.61 0.00 0.00 39.48 37.52 2d6m n PHE 52 CO 0.00 0.00 0.00 0.27 -1.87 0.00 0.00 176.76 175.16 2d6m n ASN 53 N -2.70 0.52 0.00 5.98 0.23 -1.26 -4.91 115.26 113.12 2d6m n ASN 53 Ca -0.09 0.57 0.00 0.00 -0.53 0.00 0.00 54.58 54.53 2d6m n ASN 53 Cb 0.75 -0.70 0.00 0.00 -2.08 0.00 0.00 39.78 37.75 2d6m n ASN 53 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2d6m n GLY 54 N 0.98 0.71 0.19 4.83 0.00 -1.26 -4.91 105.19 105.73 2d6m n GLY 54 Ca 0.05 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.11 2d6m n GLY 54 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 2d6m h ASN 55 N 0.00 0.00 -3.47 1.61 4.21 -1.91 -3.40 115.58 112.63 2d6m h ASN 55 Ca 0.00 0.00 -0.62 0.00 1.21 0.00 0.00 56.30 56.89 2d6m h ASN 55 Cb 0.00 0.00 -0.40 0.00 -1.12 0.00 0.00 38.32 36.80 2d6m h ASN 55 CO 0.00 0.39 -0.73 -1.81 -1.29 0.00 0.00 177.43 173.98 2d6m s ASP 56 N -6.61 4.21 -0.28 5.81 1.01 -1.26 -0.74 116.67 118.81 2d6m s ASP 56 Ca -0.01 -2.07 -0.02 0.00 0.71 0.00 0.00 52.55 51.15 2d6m s ASP 56 Cb 0.12 -1.19 0.04 0.00 1.01 0.00 0.00 42.92 42.91 2d6m s ASP 56 CO 0.70 -0.37 -0.01 -0.63 0.21 0.00 0.00 175.17 175.07 2d6m s ILE 57 N 1.04 3.06 0.20 0.77 1.01 -0.03 -0.92 121.20 126.34 2d6m s ILE 57 Ca 0.12 -1.19 -0.08 0.00 0.00 0.00 0.00 60.65 59.50 2d6m s ILE 57 Cb -0.20 -2.67 0.11 0.00 0.01 0.00 0.00 42.46 39.71 2d6m s ILE 57 CO -0.14 0.01 1.71 0.00 0.00 0.00 0.00 174.94 176.53 2d6m h ALA 58 N 8.03 0.95 -2.65 9.38 0.00 -1.18 0.15 119.26 133.95 2d6m h ALA 58 Ca -0.26 -0.26 -0.24 0.00 0.00 0.00 0.00 54.91 54.15 2d6m h ALA 58 Cb 1.08 -0.26 -0.33 0.00 0.00 0.00 0.00 17.79 18.28 2d6m h ALA 58 CO 0.56 0.66 -0.56 0.12 0.00 0.00 0.00 179.25 180.03 2d6m s PHE 59 N -5.24 -0.42 -0.21 0.00 5.36 -1.12 -4.55 117.98 111.80 2d6m s PHE 59 Ca -0.12 0.71 -0.05 0.00 -0.96 0.00 0.00 56.93 56.51 2d6m s PHE 59 Cb 0.15 -0.14 -0.02 0.00 -0.34 0.00 0.00 43.02 42.66 2d6m s PHE 59 CO 0.85 -0.47 0.01 -1.58 -1.46 0.00 0.00 175.22 172.56 2d6m s HIS 60 N 2.40 3.04 -0.22 10.12 5.65 0.34 -0.93 115.29 135.69 2d6m s HIS 60 Ca 0.04 -0.52 0.00 0.00 0.25 0.00 0.00 55.06 54.83 2d6m s HIS 60 Cb -0.14 -2.12 0.03 0.00 -1.18 0.00 0.00 32.58 29.17 2d6m s HIS 60 CO -0.10 -0.31 -0.12 0.12 -0.65 0.00 0.00 174.74 173.67 2d6m s PHE 61 N 1.21 2.99 -0.41 3.88 5.36 -0.09 -1.76 117.98 129.16 2d6m s PHE 61 Ca 0.03 -1.71 0.02 0.00 -0.96 0.00 0.00 56.93 54.31 2d6m s PHE 61 Cb -0.15 -1.98 0.15 0.00 -0.34 0.00 0.00 43.02 40.70 2d6m s PHE 61 CO 0.01 -0.78 0.27 1.21 -1.46 0.00 0.00 175.22 174.48 2d6m s ASN 62 N 1.28 2.74 0.29 6.13 2.47 0.26 -1.15 114.94 126.97 2d6m s ASN 62 Ca 0.01 -2.65 -0.29 0.00 0.42 0.00 0.00 52.86 50.34 2d6m s ASN 62 Cb -0.16 -0.62 -0.10 0.00 -1.45 0.00 0.00 41.25 38.93 2d6m s ASN 62 CO -0.08 -0.24 1.38 -2.84 -3.72 0.00 0.00 177.10 171.60 2d6m s PRO 63 N 0.46 4.29 -0.12 0.43 0.02 -1.18 -1.05 135.00 137.84 2d6m s PRO 63 Ca 0.23 2.28 -0.01 0.00 0.02 0.00 0.00 61.00 63.52 2d6m s PRO 63 Cb -0.14 -3.08 0.03 0.00 0.02 0.00 0.00 34.50 31.33 2d6m s PRO 63 CO -0.07 -0.33 -0.05 1.03 -0.33 0.00 0.00 177.00 177.25 2d6m s ARG 64 N -1.10 1.29 -1.49 5.54 0.52 0.07 -2.37 118.95 121.41 2d6m s ARG 64 Ca 0.54 -0.25 -0.09 0.00 -0.52 0.00 0.00 55.73 55.42 2d6m s ARG 64 Cb -0.41 -1.58 0.01 0.00 0.52 0.00 0.00 34.95 33.48 2d6m s ARG 64 CO 0.49 -0.33 2.63 1.19 0.02 0.00 0.00 175.30 179.30 2d6m n PHE 65 N 4.97 2.63 -3.92 -0.53 3.72 0.12 -1.98 117.46 122.48 2d6m n PHE 65 Ca -0.11 -2.98 -0.10 0.00 -0.05 0.00 0.00 57.45 54.21 2d6m n PHE 65 Cb 0.49 -2.26 -0.11 0.00 -0.94 0.00 0.00 39.48 36.66 2d6m n PHE 65 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 176.76 175.50 2d6m s GLU 66 N 1.11 0.28 -1.49 -1.08 2.02 -1.26 -4.83 118.70 113.45 2d6m s GLU 66 Ca 0.60 -0.37 -0.03 0.00 0.02 0.00 0.00 54.97 55.19 2d6m s GLU 66 Cb 0.17 0.11 0.01 0.00 0.10 0.00 0.00 34.13 34.52 2d6m s GLU 66 CO -0.07 -0.05 0.31 0.39 0.02 0.00 0.00 175.26 175.86 2d6m n GLU 67 N 1.98 -3.29 -0.12 1.61 1.02 -1.26 -0.65 120.64 119.93 2d6m n GLU 67 Ca -0.20 0.82 0.00 0.00 -0.02 0.00 0.00 57.16 57.75 2d6m n GLU 67 Cb 0.56 -5.56 0.00 0.00 -0.02 0.00 0.00 31.44 26.43 2d6m n GLU 67 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2d6m n GLY 68 N -1.20 0.64 0.11 0.62 0.00 -1.26 -4.89 105.19 99.20 2d6m n GLY 68 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.88 2d6m n GLY 68 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2d6m n GLY 69 N -2.00 0.28 3.61 -0.02 0.00 0.18 -4.74 105.19 102.50 2d6m n GLY 69 Ca 0.00 -1.11 -0.09 0.00 0.00 0.00 0.00 46.02 44.82 2d6m n GLY 69 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2d6m s TYR 70 N 0.00 0.03 -0.08 1.61 -0.85 -0.84 -3.28 117.35 113.94 2d6m s TYR 70 Ca 0.00 -0.40 0.03 0.00 -0.52 0.00 0.00 57.07 56.18 2d6m s TYR 70 Cb 0.00 0.39 0.01 0.00 0.38 0.00 0.00 41.96 42.73 2d6m s TYR 70 CO 0.00 -1.01 -0.16 0.08 -1.52 0.00 0.00 175.55 172.94 2d6m s VAL 71 N -3.93 1.47 -0.17 -3.49 1.01 -0.32 -0.75 120.40 114.22 2d6m s VAL 71 Ca 0.14 -0.67 -0.11 0.00 0.00 0.00 0.00 61.98 61.33 2d6m s VAL 71 Cb -0.02 -1.31 -0.05 0.00 0.00 0.00 0.00 36.38 35.00 2d6m s VAL 71 CO 0.03 0.43 0.20 -0.69 0.00 0.00 0.00 175.10 175.07 2d6m s VAL 72 N 0.56 5.37 -0.05 2.92 1.01 -0.22 -1.25 120.40 128.75 2d6m s VAL 72 Ca -0.16 0.34 0.06 0.00 0.00 0.00 0.00 61.98 62.22 2d6m s VAL 72 Cb -0.17 -3.53 -0.01 0.00 0.00 0.00 0.00 36.38 32.67 2d6m s VAL 72 CO 0.05 0.45 -0.24 0.00 0.00 0.00 0.00 175.10 175.37 2d6m s ASN 74 N -0.28 -0.10 0.02 0.00 3.84 -0.72 -1.19 114.94 116.51 2d6m s ASN 74 Ca 0.00 -0.92 0.05 0.00 0.21 0.00 0.00 52.86 52.20 2d6m s ASN 74 Cb -0.13 0.80 -0.02 0.00 -0.55 0.00 0.00 41.25 41.35 2d6m s ASN 74 CO 0.03 -1.55 -0.15 -0.89 -2.79 0.00 0.00 177.10 171.75 2d6m s THR 75 N -2.96 1.18 -0.11 -5.21 2.01 -1.26 -0.51 115.64 108.79 2d6m s THR 75 Ca 0.14 -0.86 0.01 0.00 0.31 0.00 0.00 61.69 61.29 2d6m s THR 75 Cb -0.05 -1.03 -0.02 0.00 0.01 0.00 0.00 72.50 71.41 2d6m s THR 75 CO 0.10 0.16 -0.15 -0.75 -0.69 0.00 0.00 174.62 173.29 2d6m s LYS 76 N -0.80 3.13 -0.09 4.92 2.20 0.54 -1.09 119.74 128.54 2d6m s LYS 76 Ca 0.04 -0.71 0.00 0.00 -0.36 0.00 0.00 55.97 54.94 2d6m s LYS 76 Cb -0.07 -2.53 0.02 0.00 -1.51 0.00 0.00 37.83 33.74 2d6m s LYS 76 CO 0.01 0.31 -0.08 -0.65 -0.36 0.00 0.00 175.35 174.57 2d6m s GLN 77 N 0.08 1.46 -1.22 4.03 -0.21 0.40 -0.85 119.66 123.36 2d6m s GLN 77 Ca -0.06 -0.27 -0.06 0.00 0.02 0.00 0.00 55.36 54.99 2d6m s GLN 77 Cb -0.15 -1.43 0.04 0.00 1.00 0.00 0.00 33.01 32.48 2d6m s GLN 77 CO 0.05 -0.16 0.36 0.09 -2.12 0.00 0.00 175.29 173.50 2d6m n ASN 78 N 4.53 -3.95 0.00 5.90 4.13 -1.02 -0.74 115.26 124.11 2d6m n ASN 78 Ca -0.16 -0.20 0.00 0.00 1.68 0.00 0.00 54.58 55.89 2d6m n ASN 78 Cb 0.51 -3.28 0.00 0.00 -1.54 0.00 0.00 39.78 35.46 2d6m n ASN 78 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2d6m n GLY 79 N -1.10 0.97 3.66 7.41 0.00 0.08 -5.03 105.19 111.19 2d6m n GLY 79 Ca -0.06 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.61 2d6m n GLY 79 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2d6m s GLN 80 N -0.67 4.06 0.28 1.61 -1.52 0.08 -5.05 119.66 118.45 2d6m s GLN 80 Ca 0.00 -0.29 -0.29 0.00 -1.95 0.00 0.00 55.36 52.83 2d6m s GLN 80 Cb 0.00 -3.39 -0.09 0.00 -0.22 0.00 0.00 33.01 29.30 2d6m s GLN 80 CO 0.00 0.19 1.03 -1.58 -0.25 0.00 0.00 175.29 174.68 2d6m s TRP 81 N 0.66 3.68 0.00 0.91 0.52 -1.26 -0.45 118.94 123.01 2d6m s TRP 81 Ca 0.06 1.77 0.00 0.00 0.02 0.00 0.00 56.10 57.95 2d6m s TRP 81 Cb -0.12 -3.15 0.00 0.00 -1.15 0.00 0.00 33.47 29.05 2d6m s TRP 81 CO 0.01 -0.18 0.00 0.41 0.02 0.00 0.00 176.95 177.21 2d6m n GLY 82 N 1.15 0.03 3.69 0.98 0.00 -0.25 -4.96 105.19 105.82 2d6m n GLY 82 Ca -0.01 -1.80 -0.42 0.00 0.00 0.00 0.00 46.02 43.79 2d6m n GLY 82 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2d6m s PRO 83 N -0.82 4.31 0.53 1.61 0.04 -1.26 -4.85 135.00 134.56 2d6m s PRO 83 Ca 0.00 1.85 -0.20 0.00 0.04 0.00 0.00 61.00 62.69 2d6m s PRO 83 Cb 0.00 -3.56 -0.06 0.00 0.04 0.00 0.00 34.50 30.92 2d6m s PRO 83 CO 0.00 -0.52 1.17 -1.21 0.04 0.00 0.00 177.00 176.47 2d6m s GLU 84 N 2.31 3.38 -0.27 4.56 2.02 -1.26 -4.81 118.70 124.64 2d6m s GLU 84 Ca 0.61 1.73 -0.01 0.00 0.02 0.00 0.00 54.97 57.32 2d6m s GLU 84 Cb -0.29 -2.11 0.04 0.00 0.10 0.00 0.00 34.13 31.87 2d6m s GLU 84 CO 0.25 -0.85 -0.06 -1.21 0.02 0.00 0.00 175.26 173.41 2d6m s GLU 85 N -3.11 2.59 -0.23 1.61 2.02 -0.33 -4.98 118.70 116.26 2d6m s GLU 85 Ca 0.71 -1.14 -0.07 0.00 0.02 0.00 0.00 54.97 54.49 2d6m s GLU 85 Cb -0.27 -3.02 -0.03 0.00 0.10 0.00 0.00 34.13 30.91 2d6m s GLU 85 CO 0.31 -0.50 0.05 1.03 0.02 0.00 0.00 175.26 176.17 2d6m s ARG 86 N 1.26 3.65 -0.27 1.61 0.52 -1.26 -0.75 118.95 123.70 2d6m s ARG 86 Ca -0.03 -0.49 -0.13 0.00 -0.52 0.00 0.00 55.73 54.56 2d6m s ARG 86 Cb -0.18 -3.24 -0.04 0.00 0.52 0.00 0.00 34.95 32.00 2d6m s ARG 86 CO -0.04 -0.12 0.30 0.21 0.02 0.00 0.00 175.30 175.67 2d6m s LYS 87 N 1.40 4.00 -1.35 3.54 2.47 -0.38 -4.94 119.74 124.47 2d6m s LYS 87 Ca 0.05 -0.10 -0.07 0.00 -1.56 0.00 0.00 55.97 54.28 2d6m s LYS 87 Cb -0.15 -3.65 0.11 0.00 -1.46 0.00 0.00 37.83 32.68 2d6m s LYS 87 CO 0.03 -0.22 2.30 -1.33 0.16 0.00 0.00 175.35 176.29 2d6m n MET 88 N 5.17 4.15 -3.63 4.03 2.81 -1.26 -1.18 117.12 127.20 2d6m n MET 88 Ca -0.11 -3.30 -0.11 0.00 -1.81 0.00 0.00 57.70 52.37 2d6m n MET 88 Cb 0.51 -2.76 -0.07 0.00 -0.71 0.00 0.00 33.22 30.19 2d6m n MET 88 CO 0.00 0.00 0.00 -1.14 1.51 0.00 0.00 175.97 176.34 2d6m s GLN 89 N -0.15 0.65 -0.36 0.03 0.74 -1.21 -4.93 119.66 114.43 2d6m s GLN 89 Ca 0.51 0.78 -0.04 0.00 0.05 0.00 0.00 55.36 56.67 2d6m s GLN 89 Cb 0.16 0.31 0.07 0.00 1.10 0.00 0.00 33.01 34.65 2d6m s GLN 89 CO -0.06 -0.08 0.12 1.41 -0.55 0.00 0.00 175.29 176.13 2d6m s MET 90 N 0.34 2.37 0.00 1.67 -2.45 -1.24 -3.95 119.30 116.03 2d6m s MET 90 Ca 0.01 -1.44 0.28 0.00 -1.25 0.00 0.00 55.69 53.30 2d6m s MET 90 Cb -0.05 -3.45 1.14 0.00 1.25 0.00 0.00 34.83 33.72 2d6m s MET 90 CO -0.04 -0.81 1.80 -0.35 1.05 0.00 0.00 175.02 176.67 2d6m n PRO 91 N 4.70 1.03 -4.05 4.11 -0.04 -1.26 -4.86 135.00 134.63 2d6m n PRO 91 Ca -0.09 -0.47 -0.22 0.00 -0.04 0.00 0.00 63.50 62.68 2d6m n PRO 91 Cb 0.43 -1.49 -0.03 0.00 -0.04 0.00 0.00 33.50 32.37 2d6m n PRO 91 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 2d6m s PHE 92 N -2.30 3.23 -0.01 0.54 0.08 -1.26 -4.95 117.98 113.31 2d6m s PHE 92 Ca 0.32 -0.08 0.04 0.00 0.12 0.00 0.00 56.93 57.33 2d6m s PHE 92 Cb 0.20 -1.48 -0.01 0.00 -0.57 0.00 0.00 43.02 41.17 2d6m s PHE 92 CO 0.44 0.48 -0.12 -0.65 -0.10 0.00 0.00 175.22 175.26 2d6m s GLN 93 N -3.90 1.05 0.20 0.44 -0.21 -1.26 -5.11 119.66 110.88 2d6m s GLN 93 Ca 0.34 -0.44 -0.33 0.00 0.02 0.00 0.00 55.36 54.95 2d6m s GLN 93 Cb -0.08 -1.01 -0.13 0.00 1.00 0.00 0.00 33.01 32.79 2d6m s GLN 93 CO 0.27 0.25 1.57 1.63 -2.12 0.00 0.00 175.29 176.89 2d6m n LYS 94 N 2.84 2.29 -0.07 2.91 5.02 -1.26 -1.93 118.16 127.96 2d6m n LYS 94 Ca -0.15 0.82 0.00 0.00 -2.02 0.00 0.00 58.31 56.97 2d6m n LYS 94 Cb 0.55 -2.58 0.00 0.00 -0.02 0.00 0.00 35.03 32.98 2d6m n LYS 94 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2d6m n GLY 95 N 3.09 1.77 3.75 0.72 0.00 0.53 -4.81 105.19 110.24 2d6m n GLY 95 Ca 0.15 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.85 2d6m n GLY 95 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2d6m s MET 96 N -0.37 2.93 0.64 1.61 -1.94 -0.81 -4.79 119.30 116.57 2d6m s MET 96 Ca 0.00 -0.59 -0.18 0.00 -1.71 0.00 0.00 55.69 53.21 2d6m s MET 96 Cb 0.00 -2.76 -0.01 0.00 2.01 0.00 0.00 34.83 34.07 2d6m s MET 96 CO 0.00 0.61 1.26 -1.25 -0.01 0.00 0.00 175.02 175.64 2d6m s PRO 97 N -1.91 2.60 0.06 2.03 0.04 -1.26 -1.74 135.00 134.82 2d6m s PRO 97 Ca 0.24 1.97 -0.04 0.00 0.04 0.00 0.00 61.00 63.21 2d6m s PRO 97 Cb -0.12 -1.86 -0.02 0.00 0.04 0.00 0.00 34.50 32.53 2d6m s PRO 97 CO 0.16 -1.53 0.06 -0.59 0.04 0.00 0.00 177.00 175.13 2d6m s PHE 98 N -1.51 0.36 -0.11 0.56 -0.12 0.38 -4.88 117.98 112.65 2d6m s PHE 98 Ca 0.80 -0.85 0.03 0.00 -0.05 0.00 0.00 56.93 56.86 2d6m s PHE 98 Cb -0.35 -0.25 -0.01 0.00 -0.63 0.00 0.00 43.02 41.78 2d6m s PHE 98 CO 0.39 -0.44 -0.20 -2.00 -0.05 0.00 0.00 175.22 172.92 2d6m s GLU 99 N -3.80 3.15 -0.14 1.99 2.12 -1.26 -2.00 118.70 118.76 2d6m s GLU 99 Ca 0.05 -0.81 -0.00 0.00 0.36 0.00 0.00 54.97 54.57 2d6m s GLU 99 Cb 0.06 -2.41 0.03 0.00 0.26 0.00 0.00 34.13 32.07 2d6m s GLU 99 CO -0.10 0.20 -0.08 -1.17 -0.54 0.00 0.00 175.26 173.57 2d6m s LEU 100 N 0.32 1.43 -0.12 2.70 2.96 0.49 -0.01 118.68 126.45 2d6m s LEU 100 Ca -0.16 -0.47 0.03 0.00 -0.22 0.00 0.00 54.13 53.31 2d6m s LEU 100 Cb -0.17 -0.92 0.01 0.00 0.50 0.00 0.00 46.19 45.60 2d6m s LEU 100 CO 0.08 -0.13 -0.20 0.00 -1.32 0.00 0.00 176.35 174.77 2d6m s PHE 102 N 0.76 3.00 -0.19 0.00 0.08 0.48 -0.87 117.98 121.23 2d6m s PHE 102 Ca -0.10 -0.76 -0.05 0.00 0.12 0.00 0.00 56.93 56.14 2d6m s PHE 102 Cb -0.16 -2.14 -0.03 0.00 -0.57 0.00 0.00 43.02 40.12 2d6m s PHE 102 CO 0.01 -0.48 0.00 -1.17 -0.10 0.00 0.00 175.22 173.48 2d6m s LEU 103 N 1.49 3.33 -0.39 -0.37 2.96 0.19 -0.44 118.68 125.45 2d6m s LEU 103 Ca 0.06 -0.15 -0.22 0.00 -0.22 0.00 0.00 54.13 53.60 2d6m s LEU 103 Cb -0.14 -1.84 0.01 0.00 0.50 0.00 0.00 46.19 44.72 2d6m s LEU 103 CO -0.01 0.09 0.70 -0.69 -1.32 0.00 0.00 176.35 175.12 2d6m s VAL 104 N 0.84 4.80 0.41 1.68 1.01 0.09 -1.07 120.40 128.16 2d6m s VAL 104 Ca 0.01 0.54 0.08 0.00 0.00 0.00 0.00 61.98 62.61 2d6m s VAL 104 Cb -0.14 -4.18 -0.03 0.00 0.00 0.00 0.00 36.38 32.03 2d6m s VAL 104 CO 0.02 -0.47 0.29 -1.10 0.00 0.00 0.00 175.10 173.84 2d6m s GLN 105 N 2.93 2.42 0.29 2.72 -0.21 0.00 0.13 119.66 127.94 2d6m s GLN 105 Ca 0.27 -1.64 -0.02 0.00 0.02 0.00 0.00 55.36 53.99 2d6m s GLN 105 Cb -0.14 -2.23 0.44 0.00 1.00 0.00 0.00 33.01 32.09 2d6m s GLN 105 CO 0.18 -0.14 1.93 0.07 -2.12 0.00 0.00 175.29 175.21 2d6m h ARG 106 N 1.21 1.10 0.00 2.91 0.11 -1.97 -3.18 114.38 114.56 2d6m h ARG 106 Ca -0.42 -0.07 0.00 0.00 0.10 0.00 0.00 59.98 59.59 2d6m h ARG 106 Cb 1.26 -0.25 0.00 0.00 1.11 0.00 0.00 29.97 32.09 2d6m h ARG 106 CO 0.62 0.73 -0.73 -1.13 0.10 0.00 0.00 179.97 179.56 2d6m n SER 107 N -4.44 0.76 -3.55 0.08 3.41 -1.26 -4.95 113.62 103.67 2d6m n SER 107 Ca 0.12 -0.71 -0.11 0.00 -0.26 0.00 0.00 58.87 57.91 2d6m n SER 107 Cb 0.10 1.07 -0.02 0.00 -0.26 0.00 0.00 64.21 65.09 2d6m n SER 107 CO 0.00 0.00 0.00 -1.83 -0.16 0.00 0.00 175.04 173.05 2d6m s GLU 108 N -2.30 1.36 0.20 4.33 -1.05 -1.20 -1.75 118.70 118.28 2d6m s GLU 108 Ca 0.04 -0.63 -0.21 0.00 -0.15 0.00 0.00 54.97 54.02 2d6m s GLU 108 Cb 0.10 0.57 -0.08 0.00 -0.44 0.00 0.00 34.13 34.28 2d6m s GLU 108 CO 0.53 -0.59 0.73 -0.06 0.95 0.00 0.00 175.26 176.82 2d6m s PHE 109 N -3.80 3.71 -0.13 4.83 0.08 0.07 -0.82 117.98 121.93 2d6m s PHE 109 Ca 0.04 1.43 -0.00 0.00 0.12 0.00 0.00 56.93 58.52 2d6m s PHE 109 Cb -0.02 -2.64 -0.02 0.00 -0.57 0.00 0.00 43.02 39.77 2d6m s PHE 109 CO -0.08 0.38 -0.11 0.15 -0.10 0.00 0.00 175.22 175.46 2d6m s LYS 110 N -1.77 3.34 -0.18 0.44 1.02 -0.23 -1.09 119.74 121.27 2d6m s LYS 110 Ca 0.41 -0.65 -0.01 0.00 0.02 0.00 0.00 55.97 55.73 2d6m s LYS 110 Cb -0.18 -2.66 -0.00 0.00 -0.52 0.00 0.00 37.83 34.47 2d6m s LYS 110 CO 0.22 0.27 -0.11 0.08 -0.92 0.00 0.00 175.35 174.89 2d6m s VAL 111 N 0.22 2.94 -0.08 3.17 1.01 -0.03 -0.64 120.40 126.99 2d6m s VAL 111 Ca -0.07 -0.66 0.01 0.00 0.00 0.00 0.00 61.98 61.25 2d6m s VAL 111 Cb -0.15 -2.28 -0.03 0.00 0.00 0.00 0.00 36.38 33.92 2d6m s VAL 111 CO 0.05 0.49 -0.08 -0.04 0.00 0.00 0.00 175.10 175.51 2d6m s MET 112 N 1.04 2.86 -0.13 2.72 1.00 -0.05 -0.46 119.30 126.29 2d6m s MET 112 Ca -0.01 -0.58 0.02 0.00 0.00 0.00 0.00 55.69 55.12 2d6m s MET 112 Cb -0.15 -2.60 0.02 0.00 0.00 0.00 0.00 34.83 32.10 2d6m s MET 112 CO -0.02 0.58 -0.17 0.08 0.00 0.00 0.00 175.02 175.49 2d6m s VAL 113 N -0.58 1.66 -1.48 -6.03 1.01 0.36 -0.74 120.40 114.61 2d6m s VAL 113 Ca 0.09 -0.73 -0.08 0.00 0.00 0.00 0.00 61.98 61.25 2d6m s VAL 113 Cb -0.12 -1.52 0.06 0.00 0.00 0.00 0.00 36.38 34.81 2d6m s VAL 113 CO 0.02 0.47 0.76 0.59 0.00 0.00 0.00 175.10 176.94 2d6m n ASN 114 N 4.33 -2.69 0.00 3.32 3.02 0.98 -1.85 115.26 122.37 2d6m n ASN 114 Ca -0.19 -0.88 0.00 0.00 -0.03 0.00 0.00 54.58 53.48 2d6m n ASN 114 Cb 0.51 -3.54 0.00 0.00 -0.61 0.00 0.00 39.78 36.14 2d6m n ASN 114 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 2d6m n LYS 115 N -4.47 0.00 -4.58 3.52 4.76 -1.26 -4.99 118.16 111.13 2d6m n LYS 115 Ca -0.11 0.00 -0.34 0.00 -2.87 0.00 0.00 58.31 54.99 2d6m n LYS 115 Cb 0.59 -2.93 -0.12 0.00 -1.84 0.00 0.00 35.03 30.73 2d6m n LYS 115 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 2d6m s LYS 116 N -0.23 3.25 0.21 1.97 1.02 -0.77 -5.03 119.74 120.15 2d6m s LYS 116 Ca 0.00 -0.57 -0.32 0.00 0.02 0.00 0.00 55.97 55.10 2d6m s LYS 116 Cb 0.00 -2.72 -0.13 0.00 -0.52 0.00 0.00 37.83 34.46 2d6m s LYS 116 CO 0.00 0.40 1.52 0.34 -0.92 0.00 0.00 175.35 176.69 2d6m n PHE 117 N 3.03 2.33 -0.03 3.18 7.35 -1.26 -0.49 117.46 131.57 2d6m n PHE 117 Ca -0.18 0.32 -0.07 0.00 -0.76 0.00 0.00 57.45 56.76 2d6m n PHE 117 Cb 0.53 -2.52 -0.02 0.00 0.35 0.00 0.00 39.48 37.81 2d6m n PHE 117 CO 0.00 0.00 0.00 0.34 -0.76 0.00 0.00 176.76 176.34 2d6m n PHE 118 N 2.69 0.00 -3.67 -5.13 7.35 0.39 -4.83 117.46 114.26 2d6m n PHE 118 Ca 0.14 0.00 -0.14 0.00 -0.76 0.00 0.00 57.45 56.68 2d6m n PHE 118 Cb 0.31 -0.26 -0.07 0.00 0.35 0.00 0.00 39.48 39.81 2d6m n PHE 118 CO 0.00 0.00 0.00 0.54 -0.76 0.00 0.00 176.76 176.54 2d6m s VAL 119 N -2.19 0.04 0.12 -2.13 0.11 -1.11 -5.03 120.40 110.21 2d6m s VAL 119 Ca -0.11 -0.35 0.05 0.00 -2.93 0.00 0.00 61.98 58.64 2d6m s VAL 119 Cb 0.04 -0.82 -0.04 0.00 -1.53 0.00 0.00 36.38 34.03 2d6m s VAL 119 CO 0.14 -0.19 0.06 -1.10 -3.33 0.00 0.00 175.10 170.68 2d6m s GLN 120 N -1.66 2.72 -0.14 1.54 -0.21 -1.26 -0.85 119.66 119.80 2d6m s GLN 120 Ca -0.10 -0.84 -0.04 0.00 0.02 0.00 0.00 55.36 54.40 2d6m s GLN 120 Cb -0.03 -2.60 0.05 0.00 1.00 0.00 0.00 33.01 31.44 2d6m s GLN 120 CO 0.04 0.52 0.09 -0.47 -2.12 0.00 0.00 175.29 173.35 2d6m s TYR 121 N -1.50 0.13 0.28 0.91 5.04 -0.25 -4.99 117.35 116.97 2d6m s TYR 121 Ca 0.28 -0.11 -0.30 0.00 -2.44 0.00 0.00 57.07 54.50 2d6m s TYR 121 Cb -0.11 -0.61 -0.10 0.00 0.35 0.00 0.00 41.96 41.49 2d6m s TYR 121 CO 0.21 -0.42 1.42 -0.65 -1.34 0.00 0.00 175.55 174.76 2d6m s GLN 122 N 2.16 4.27 0.20 4.97 -1.52 -1.26 -0.75 119.66 127.73 2d6m s GLN 122 Ca 0.03 2.32 -0.31 0.00 -1.95 0.00 0.00 55.36 55.45 2d6m s GLN 122 Cb -0.15 -3.08 -0.11 0.00 -0.22 0.00 0.00 33.01 29.45 2d6m s GLN 122 CO -0.07 -0.39 1.60 -1.01 -0.25 0.00 0.00 175.29 175.16 2d6m s HIS 123 N -0.35 2.98 -0.19 0.91 3.76 -0.72 -4.88 115.29 116.81 2d6m s HIS 123 Ca 0.57 0.62 0.17 0.00 -0.15 0.00 0.00 55.06 56.26 2d6m s HIS 123 Cb -0.42 -3.99 -0.24 0.00 1.11 0.00 0.00 32.58 29.04 2d6m s HIS 123 CO 0.47 -3.59 0.08 0.54 -0.85 0.00 0.00 174.74 171.39 2d6m n ARG 124 N 3.59 0.84 -4.42 1.40 1.74 -1.26 -4.99 116.66 113.57 2d6m n ARG 124 Ca 0.13 -0.01 -0.21 0.00 -0.77 0.00 0.00 57.85 56.99 2d6m n ARG 124 Cb 0.38 -1.50 -0.10 0.00 -1.02 0.00 0.00 32.46 30.22 2d6m n ARG 124 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 2d6m s VAL 125 N -2.49 1.57 0.10 1.55 -7.23 -1.26 -5.11 120.40 107.54 2d6m s VAL 125 Ca -0.09 -2.11 -0.31 0.00 -1.81 0.00 0.00 61.98 57.65 2d6m s VAL 125 Cb 0.06 -2.45 -0.09 0.00 0.56 0.00 0.00 36.38 34.46 2d6m s VAL 125 CO 0.79 -0.30 1.74 -2.84 -0.31 0.00 0.00 175.10 174.19 2d6m s PRO 126 N -3.74 4.17 0.40 4.82 0.02 -1.26 -4.89 135.00 134.51 2d6m s PRO 126 Ca 0.29 2.47 0.21 0.00 0.02 0.00 0.00 61.00 63.99 2d6m s PRO 126 Cb 0.04 -3.58 0.74 0.00 0.02 0.00 0.00 34.50 31.71 2d6m s PRO 126 CO 0.12 -0.79 1.75 0.10 -0.33 0.00 0.00 177.00 177.85 2d6m h TYR 127 N 8.43 0.00 0.00 6.54 -0.00 -1.97 -3.19 116.97 126.77 2d6m h TYR 127 Ca -0.44 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.29 2d6m h TYR 127 Cb 1.21 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.94 2d6m h TYR 127 CO 0.78 0.32 0.00 1.12 -0.00 0.00 0.00 178.16 180.38 2d6m h HIS 128 N 0.00 0.00 -0.00 0.10 2.07 -1.90 -1.39 115.15 114.03 2d6m h HIS 128 Ca -0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 2d6m h HIS 128 Cb 0.87 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.85 2d6m h HIS 128 CO 0.00 0.00 -0.08 1.28 -3.07 0.00 0.00 177.93 176.06 2d6m n LEU 129 N -2.64 0.32 -4.65 6.12 4.77 -1.21 -4.35 117.00 115.37 2d6m n LEU 129 Ca 0.00 0.10 -0.43 0.00 -0.03 0.00 0.00 56.01 55.65 2d6m n LEU 129 Cb 0.19 -0.22 -0.03 0.00 -2.33 0.00 0.00 43.42 41.04 2d6m n LEU 129 CO 0.20 0.06 0.84 -0.69 -1.33 0.00 0.00 177.39 176.47 2d6m s VAL 130 N -2.51 4.68 0.00 4.08 1.01 -0.52 -4.40 120.40 122.73 2d6m s VAL 130 Ca 0.28 1.77 0.00 0.00 0.00 0.00 0.00 61.98 64.03 2d6m s VAL 130 Cb 0.20 -4.28 0.00 0.00 0.00 0.00 0.00 36.38 32.30 2d6m s VAL 130 CO 0.47 -0.25 0.75 -0.90 0.00 0.00 0.00 175.10 175.18 2d6m n ASP 131 N 6.39 1.24 -3.79 3.32 5.68 -0.68 -1.87 116.55 126.84 2d6m n ASP 131 Ca 0.10 -1.56 -0.13 0.00 -0.50 0.00 0.00 54.79 52.70 2d6m n ASP 131 Cb 0.47 0.00 -0.13 0.00 -1.14 0.00 0.00 41.12 40.31 2d6m n ASP 131 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 2d6m s THR 132 N -0.56 -0.02 -0.07 2.12 2.01 -0.85 -1.10 115.64 117.17 2d6m s THR 132 Ca 0.00 0.07 0.01 0.00 0.31 0.00 0.00 61.69 62.08 2d6m s THR 132 Cb 0.00 -0.22 -0.03 0.00 0.01 0.00 0.00 72.50 72.27 2d6m s THR 132 CO 0.00 0.03 -0.09 -0.51 -0.69 0.00 0.00 174.62 173.36 2d6m s ILE 133 N 0.52 3.48 -0.08 1.82 2.07 0.08 -1.15 121.20 127.94 2d6m s ILE 133 Ca -0.04 -0.56 -0.00 0.00 -1.41 0.00 0.00 60.65 58.65 2d6m s ILE 133 Cb -0.05 -2.42 0.02 0.00 0.13 0.00 0.00 42.46 40.15 2d6m s ILE 133 CO -0.02 0.58 -0.05 0.00 -1.91 0.00 0.00 174.94 173.54 2d6m s ALA 134 N -0.61 0.98 -0.07 1.50 0.00 -0.31 -1.17 121.76 122.08 2d6m s ALA 134 Ca 0.09 -0.29 0.04 0.00 0.00 0.00 0.00 51.96 51.80 2d6m s ALA 134 Cb -0.12 -0.73 -0.00 0.00 0.00 0.00 0.00 23.12 22.28 2d6m s ALA 134 CO 0.02 -0.30 -0.21 0.08 0.00 0.00 0.00 175.76 175.34 2d6m s VAL 135 N 1.55 1.79 0.21 0.00 1.01 0.12 -0.50 120.40 124.57 2d6m s VAL 135 Ca 0.00 -0.89 -0.15 0.00 0.00 0.00 0.00 61.98 60.94 2d6m s VAL 135 Cb -0.13 -1.54 0.01 0.00 0.00 0.00 0.00 36.38 34.72 2d6m s VAL 135 CO -0.04 0.50 0.49 -0.94 0.00 0.00 0.00 175.10 175.10 2d6m s SER 136 N 0.17 -0.17 0.00 3.32 1.04 -0.56 -0.73 113.70 116.77 2d6m s SER 136 Ca -0.10 -0.67 0.00 0.00 0.48 0.00 0.00 55.95 55.65 2d6m s SER 136 Cb -0.15 0.57 0.00 0.00 0.10 0.00 0.00 66.02 66.54 2d6m s SER 136 CO 0.05 -1.07 0.00 0.61 0.98 0.00 0.00 173.24 173.81 2d6m n GLY 137 N -0.34 -0.86 2.55 7.32 0.00 -1.26 -0.51 105.19 112.09 2d6m n GLY 137 Ca -0.07 -1.92 -0.41 0.00 0.00 0.00 0.00 46.02 43.62 2d6m n GLY 137 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2d6m s LEU 139 N -0.16 0.78 0.22 0.00 2.34 -1.26 -1.46 118.68 119.14 2d6m s LEU 139 Ca 0.55 -0.88 0.09 0.00 0.06 0.00 0.00 54.13 53.95 2d6m s LEU 139 Cb 0.16 1.33 -0.05 0.00 -0.56 0.00 0.00 46.19 47.07 2d6m s LEU 139 CO -0.06 -0.95 -0.17 -1.59 -1.06 0.00 0.00 176.35 172.52 2d6m s LYS 140 N -3.98 1.42 -0.02 1.48 -2.85 -0.33 -4.87 119.74 110.59 2d6m s LYS 140 Ca 0.19 -1.60 0.05 0.00 -1.00 0.00 0.00 55.97 53.61 2d6m s LYS 140 Cb 0.02 -1.36 -0.01 0.00 -2.06 0.00 0.00 37.83 34.43 2d6m s LYS 140 CO 0.02 0.25 -0.18 -0.51 0.10 0.00 0.00 175.35 175.03 2d6m s LEU 141 N -3.23 2.01 -0.14 2.77 1.43 -1.26 -0.86 118.68 119.40 2d6m s LEU 141 Ca 0.23 -0.33 0.05 0.00 -1.03 0.00 0.00 54.13 53.06 2d6m s LEU 141 Cb -0.03 -0.93 -0.23 0.00 0.03 0.00 0.00 46.19 45.03 2d6m s LEU 141 CO 0.09 0.21 0.28 -1.54 0.23 0.00 0.00 176.35 175.62 2d6m n SER 142 N 2.75 1.32 -3.54 2.29 3.41 0.12 -4.01 113.62 115.96 2d6m n SER 142 Ca -0.15 0.16 -0.11 0.00 -0.26 0.00 0.00 58.87 58.51 2d6m n SER 142 Cb 0.54 -0.19 -0.03 0.00 -0.26 0.00 0.00 64.21 64.27 2d6m n SER 142 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 175.04 175.60 2d6m s PHE 143 N -2.55 -0.37 -0.13 7.33 -0.12 -1.08 -0.17 117.98 120.89 2d6m s PHE 143 Ca -0.17 0.10 -0.00 0.00 -0.05 0.00 0.00 56.93 56.81 2d6m s PHE 143 Cb 0.07 0.43 0.03 0.00 -0.63 0.00 0.00 43.02 42.93 2d6m s PHE 143 CO 0.76 -0.81 -0.09 0.42 -0.05 0.00 0.00 175.22 175.46 2d6m s ILE 144 N -3.78 1.19 0.18 -4.49 1.01 -0.23 -1.36 121.20 113.72 2d6m s ILE 144 Ca 0.03 -0.44 0.07 0.00 0.00 0.00 0.00 60.65 60.31 2d6m s ILE 144 Cb -0.00 -1.20 -0.04 0.00 0.01 0.00 0.00 42.46 41.23 2d6m s ILE 144 CO -0.11 0.35 0.05 0.42 0.00 0.00 0.00 174.94 175.65 2d6m s THR 145 N 1.64 3.97 -0.17 2.92 -4.23 -0.18 -0.71 115.64 118.87 2d6m s THR 145 Ca 0.04 -1.35 -0.01 0.00 -1.18 0.00 0.00 61.69 59.20 2d6m s THR 145 Cb -0.13 -3.02 0.04 0.00 1.34 0.00 0.00 72.50 70.73 2d6m s THR 145 CO -0.09 -0.14 -0.05 -0.36 -0.54 0.00 0.00 174.62 173.45 2d6m s PHE 146 N -1.79 1.68 0.05 3.99 0.08 -1.26 -1.29 117.98 119.44 2d6m s PHE 146 Ca 0.29 -1.07 0.02 0.00 0.12 0.00 0.00 56.93 56.29 2d6m s PHE 146 Cb -0.09 -1.30 -0.03 0.00 -0.57 0.00 0.00 43.02 41.03 2d6m s PHE 146 CO 0.20 -0.61 -0.07 -0.65 -0.10 0.00 0.00 175.22 173.99 2d6m s GLN 147 N 1.64 0.57 0.09 0.44 -0.21 -0.44 -0.89 119.66 120.87 2d6m s GLN 147 Ca 0.01 -0.87 0.06 0.00 0.02 0.00 0.00 55.36 54.58 2d6m s GLN 147 Cb -0.15 -0.24 -0.03 0.00 1.00 0.00 0.00 33.01 33.59 2d6m s GLN 147 CO -0.08 0.03 -0.15 -0.08 -2.12 0.00 0.00 175.29 172.89 2d6m s THR 148 N -1.86 1.29 -2.00 -0.19 -1.32 0.11 0.27 115.64 111.94 2d6m s THR 148 Ca -0.06 -1.49 0.27 0.00 -1.21 0.00 0.00 61.69 59.20 2d6m s THR 148 Cb -0.07 -1.31 0.77 0.00 -1.51 0.00 0.00 72.50 70.38 2d6m s THR 148 CO -0.01 -0.27 1.97 0.00 -2.21 0.00 0.00 174.62 174.10