#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2d6l n SER 0 N 0.00 0.00 -4.36 1.61 3.41 -1.26 -5.01 113.62 108.01 2d6l n SER 0 Ca 0.00 -0.37 -0.30 0.00 -0.26 0.00 0.00 58.87 57.94 2d6l n SER 0 Cb 0.00 -0.17 -0.14 0.00 -0.26 0.00 0.00 64.21 63.64 2d6l n SER 0 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2d6l s MET 1 N -2.34 1.74 0.09 4.33 0.23 -1.26 -5.13 119.30 116.98 2d6l s MET 1 Ca 0.29 -1.15 -0.30 0.00 -1.03 0.00 0.00 55.69 53.51 2d6l s MET 1 Cb 0.17 -1.98 -0.05 0.00 -1.53 0.00 0.00 34.83 31.44 2d6l s MET 1 CO 0.34 0.50 0.96 0.00 -2.03 0.00 0.00 175.02 174.80 2d6l s ALA 2 N -0.86 3.23 0.03 3.16 0.00 -1.26 -5.06 121.76 121.00 2d6l s ALA 2 Ca 0.12 0.57 0.05 0.00 0.00 0.00 0.00 51.96 52.70 2d6l s ALA 2 Cb -0.10 -3.29 -0.02 0.00 0.00 0.00 0.00 23.12 19.71 2d6l s ALA 2 CO 0.03 -0.06 -0.14 -0.51 0.00 0.00 0.00 175.76 175.08 2d6l s LEU 3 N 0.16 2.16 -0.00 0.00 1.43 -1.26 -4.46 118.68 116.71 2d6l s LEU 3 Ca 0.48 -0.44 0.05 0.00 -1.03 0.00 0.00 54.13 53.19 2d6l s LEU 3 Cb -0.23 -0.61 -0.01 0.00 0.03 0.00 0.00 46.19 45.36 2d6l s LEU 3 CO 0.29 0.05 -0.17 -0.36 0.23 0.00 0.00 176.35 176.40 2d6l s PHE 4 N -0.80 1.48 0.05 0.29 0.40 0.25 -4.92 117.98 114.74 2d6l s PHE 4 Ca 0.02 -0.30 -0.34 0.00 -0.60 0.00 0.00 56.93 55.71 2d6l s PHE 4 Cb -0.08 -0.94 -0.13 0.00 0.51 0.00 0.00 43.02 42.39 2d6l s PHE 4 CO 0.01 -0.01 1.72 0.43 0.70 0.00 0.00 175.22 178.08 2d6l n SER 5 N 2.50 3.28 0.02 1.36 7.64 -1.26 -0.35 113.62 126.81 2d6l n SER 5 Ca -0.15 1.03 0.04 0.00 1.01 0.00 0.00 58.87 60.80 2d6l n SER 5 Cb 0.54 -1.41 -0.09 0.00 -1.01 0.00 0.00 64.21 62.24 2d6l n SER 5 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2d6l n ALA 6 N 4.93 2.25 -3.33 -0.43 0.00 -0.03 -4.81 120.51 119.09 2d6l n ALA 6 Ca 0.19 -0.56 -0.10 0.00 0.00 0.00 0.00 53.44 52.98 2d6l n ALA 6 Cb 0.29 -0.85 -0.03 0.00 0.00 0.00 0.00 19.45 18.86 2d6l n ALA 6 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.50 178.64 2d6l s GLN 7 N -3.13 1.37 0.31 0.00 -2.07 -1.24 -5.02 119.66 109.87 2d6l s GLN 7 Ca -0.04 -0.81 -0.29 0.00 -1.82 0.00 0.00 55.36 52.39 2d6l s GLN 7 Cb 0.10 0.53 -0.12 0.00 -1.09 0.00 0.00 33.01 32.43 2d6l s GLN 7 CO 0.83 -0.58 1.36 0.43 -1.32 0.00 0.00 175.29 176.01 2d6l n SER 8 N -0.35 2.94 -4.76 12.60 7.64 -1.26 -4.41 113.62 126.03 2d6l n SER 8 Ca -0.11 1.19 -0.34 0.00 1.01 0.00 0.00 58.87 60.62 2d6l n SER 8 Cb 0.63 -1.49 0.04 0.00 -1.01 0.00 0.00 64.21 62.38 2d6l n SER 8 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 2d6l s PRO 9 N -1.40 2.85 -0.30 1.43 0.04 -1.26 -4.84 135.00 131.52 2d6l s PRO 9 Ca 0.59 1.60 -0.19 0.00 0.04 0.00 0.00 61.00 63.04 2d6l s PRO 9 Cb -0.57 -1.94 -0.01 0.00 0.04 0.00 0.00 34.50 32.01 2d6l s PRO 9 CO 0.58 -1.25 0.56 0.71 0.04 0.00 0.00 177.00 177.64 2d6l s TYR 10 N -1.99 3.22 -0.17 0.56 1.51 -0.44 -4.96 117.35 115.08 2d6l s TYR 10 Ca 0.72 0.50 -0.04 0.00 -1.01 0.00 0.00 57.07 57.23 2d6l s TYR 10 Cb -0.25 -2.88 -0.03 0.00 -0.11 0.00 0.00 41.96 38.70 2d6l s TYR 10 CO 0.37 -0.42 -0.02 0.42 -1.11 0.00 0.00 175.55 174.78 2d6l s ILE 11 N 2.45 3.90 -1.32 2.71 1.01 -1.26 -0.35 121.20 128.34 2d6l s ILE 11 Ca 0.22 -0.35 -0.06 0.00 0.00 0.00 0.00 60.65 60.46 2d6l s ILE 11 Cb -0.15 -2.73 -0.00 0.00 0.01 0.00 0.00 42.46 39.59 2d6l s ILE 11 CO 0.11 0.47 0.55 0.59 0.00 0.00 0.00 174.94 176.67 2d6l n ASN 12 N 3.79 -1.81 -4.77 3.58 3.02 0.10 -4.94 115.26 114.24 2d6l n ASN 12 Ca -0.17 -1.00 -0.40 0.00 -0.03 0.00 0.00 54.58 52.98 2d6l n ASN 12 Cb 0.52 -3.21 -0.03 0.00 -0.61 0.00 0.00 39.78 36.45 2d6l n ASN 12 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 2d6l s PRO 13 N -6.36 4.34 -0.04 3.52 0.04 -1.26 -5.00 135.00 130.24 2d6l s PRO 13 Ca 0.14 1.93 -0.23 0.00 0.04 0.00 0.00 61.00 62.88 2d6l s PRO 13 Cb -0.05 -2.96 -0.04 0.00 0.04 0.00 0.00 34.50 31.49 2d6l s PRO 13 CO 0.88 -0.10 0.69 0.42 0.04 0.00 0.00 177.00 178.93 2d6l s ILE 14 N -1.26 4.99 0.01 0.56 -1.09 -1.26 -4.44 121.20 118.71 2d6l s ILE 14 Ca 0.50 1.42 -0.19 0.00 -2.23 0.00 0.00 60.65 60.16 2d6l s ILE 14 Cb -0.33 -4.03 -0.06 0.00 -1.58 0.00 0.00 42.46 36.46 2d6l s ILE 14 CO 0.43 0.29 0.53 -0.63 -1.23 0.00 0.00 174.94 174.34 2d6l s ILE 15 N 0.53 4.92 0.26 2.92 1.09 -1.26 -3.26 121.20 126.40 2d6l s ILE 15 Ca 0.36 1.11 -0.30 0.00 -1.10 0.00 0.00 60.65 60.72 2d6l s ILE 15 Cb -0.18 -3.86 -0.10 0.00 -1.06 0.00 0.00 42.46 37.27 2d6l s ILE 15 CO 0.18 0.48 1.29 -2.16 -0.10 0.00 0.00 174.94 174.64 2d6l s PRO 16 N -0.56 4.40 -0.11 2.79 0.04 -1.26 -5.03 135.00 135.27 2d6l s PRO 16 Ca 0.28 2.10 0.01 0.00 0.04 0.00 0.00 61.00 63.43 2d6l s PRO 16 Cb -0.18 -3.14 -0.01 0.00 0.04 0.00 0.00 34.50 31.20 2d6l s PRO 16 CO 0.16 -0.18 -0.15 0.12 0.04 0.00 0.00 177.00 176.99 2d6l s PHE 17 N -0.53 2.74 -0.10 0.56 5.36 0.84 -4.97 117.98 121.88 2d6l s PHE 17 Ca 0.52 -0.61 -0.00 0.00 -0.96 0.00 0.00 56.93 55.88 2d6l s PHE 17 Cb -0.37 -1.78 0.02 0.00 -0.34 0.00 0.00 43.02 40.55 2d6l s PHE 17 CO 0.44 -0.17 -0.06 0.99 -1.46 0.00 0.00 175.22 174.96 2d6l s THR 18 N 0.13 0.90 0.16 0.12 2.01 -1.26 -0.16 115.64 117.55 2d6l s THR 18 Ca -0.08 -0.22 -0.07 0.00 0.31 0.00 0.00 61.69 61.64 2d6l s THR 18 Cb -0.15 -0.94 -0.02 0.00 0.01 0.00 0.00 72.50 71.40 2d6l s THR 18 CO 0.05 0.35 0.23 -0.83 -0.69 0.00 0.00 174.62 173.73 2d6l s GLY 19 N 1.70 0.61 0.42 4.40 0.00 -0.49 -5.01 107.32 108.95 2d6l s GLY 19 Ca 0.04 -1.03 -0.22 0.00 0.00 0.00 0.00 44.72 43.50 2d6l s GLY 19 CO -0.07 -0.96 1.02 2.56 0.00 0.00 0.00 173.10 175.65 2d6l s PRO 20 N -3.99 4.10 -0.43 2.90 0.05 -1.26 -1.08 135.00 135.29 2d6l s PRO 20 Ca 0.19 1.38 -0.11 0.00 0.05 0.00 0.00 61.00 62.51 2d6l s PRO 20 Cb 0.04 -2.36 0.07 0.00 0.05 0.00 0.00 34.50 32.30 2d6l s PRO 20 CO 0.01 -0.17 0.29 0.42 0.05 0.00 0.00 177.00 177.59 2d6l s ILE 21 N -1.85 4.48 -0.12 0.56 1.01 0.67 -4.74 121.20 121.21 2d6l s ILE 21 Ca 0.61 -1.29 -0.29 0.00 0.00 0.00 0.00 60.65 59.67 2d6l s ILE 21 Cb -0.18 -3.71 -0.03 0.00 0.01 0.00 0.00 42.46 38.55 2d6l s ILE 21 CO 0.22 -0.51 1.46 -1.10 0.00 0.00 0.00 174.94 175.01 2d6l s GLN 22 N 1.48 4.18 0.00 2.79 -0.21 -1.26 -1.12 119.66 125.52 2d6l s GLN 22 Ca 0.03 1.90 0.00 0.00 0.02 0.00 0.00 55.36 57.31 2d6l s GLN 22 Cb -0.23 -3.88 0.00 0.00 1.00 0.00 0.00 33.01 29.90 2d6l s GLN 22 CO 0.03 -0.80 0.00 0.41 -2.12 0.00 0.00 175.29 172.81 2d6l n GLY 23 N 3.91 1.38 0.00 3.09 0.00 -1.26 -4.90 105.19 107.42 2d6l n GLY 23 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 2d6l n GLY 23 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2d6l n GLY 24 N -2.00 -1.52 3.72 -0.02 0.00 -0.27 -4.88 105.19 100.22 2d6l n GLY 24 Ca 0.00 -1.57 -0.42 0.00 0.00 0.00 0.00 46.02 44.03 2d6l n GLY 24 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2d6l n LEU 25 N -1.90 3.95 -4.17 0.99 4.77 0.06 -4.97 117.00 115.73 2d6l n LEU 25 Ca 0.00 1.21 -0.14 0.00 -0.03 0.00 0.00 56.01 57.06 2d6l n LEU 25 Cb 0.00 -1.53 -0.11 0.00 -2.33 0.00 0.00 43.42 39.46 2d6l n LEU 25 CO 0.00 -0.28 -0.41 -1.58 -1.33 0.00 0.00 177.39 173.79 2d6l s GLN 26 N -1.95 0.83 0.25 3.23 2.00 -1.26 -3.80 119.66 118.96 2d6l s GLN 26 Ca 0.55 -1.17 -0.31 0.00 -2.00 0.00 0.00 55.36 52.42 2d6l s GLN 26 Cb -0.54 -0.47 -0.12 0.00 0.80 0.00 0.00 33.01 32.69 2d6l s GLN 26 CO 0.63 0.06 1.64 -1.91 -0.50 0.00 0.00 175.29 175.21 2d6l n GLU 27 N 0.49 2.67 -0.18 1.67 0.00 -1.26 -2.41 120.64 121.61 2d6l n GLU 27 Ca -0.16 0.96 0.00 0.00 0.00 0.00 0.00 57.16 57.96 2d6l n GLU 27 Cb 0.58 -2.76 0.00 0.00 0.00 0.00 0.00 31.44 29.26 2d6l n GLU 27 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2d6l n GLY 28 N 2.99 0.69 3.73 8.31 0.00 0.39 -5.00 105.19 116.31 2d6l n GLY 28 Ca 0.12 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.73 2d6l n GLY 28 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2d6l s LEU 29 N 0.00 4.44 -0.22 0.99 2.96 -1.01 -4.07 118.68 121.77 2d6l s LEU 29 Ca 0.00 2.22 -0.02 0.00 -0.22 0.00 0.00 54.13 56.10 2d6l s LEU 29 Cb 0.00 -3.60 0.01 0.00 0.50 0.00 0.00 46.19 43.09 2d6l s LEU 29 CO 0.00 -0.39 -0.09 -1.10 -1.32 0.00 0.00 176.35 173.45 2d6l s GLN 30 N -0.06 3.17 -0.30 1.98 -0.21 0.57 -0.86 119.66 123.96 2d6l s GLN 30 Ca 0.54 -0.74 -0.08 0.00 0.02 0.00 0.00 55.36 55.09 2d6l s GLN 30 Cb -0.32 -2.89 -0.01 0.00 1.00 0.00 0.00 33.01 30.79 2d6l s GLN 30 CO 0.36 -0.24 0.12 0.08 -2.12 0.00 0.00 175.29 173.48 2d6l s VAL 31 N 1.40 4.38 -0.16 1.09 1.01 -0.32 -1.15 120.40 126.65 2d6l s VAL 31 Ca 0.05 -0.45 0.00 0.00 0.00 0.00 0.00 61.98 61.58 2d6l s VAL 31 Cb -0.14 -3.21 0.00 0.00 0.00 0.00 0.00 36.38 33.03 2d6l s VAL 31 CO -0.06 0.12 -0.16 -0.89 0.00 0.00 0.00 175.10 174.11 2d6l s THR 32 N 1.58 2.55 -0.18 3.92 2.01 -0.06 -0.60 115.64 124.86 2d6l s THR 32 Ca 0.04 -0.80 -0.04 0.00 0.31 0.00 0.00 61.69 61.21 2d6l s THR 32 Cb -0.17 -2.08 -0.02 0.00 0.01 0.00 0.00 72.50 70.25 2d6l s THR 32 CO 0.05 0.51 -0.04 -0.76 -0.69 0.00 0.00 174.62 173.69 2d6l s LEU 33 N 0.97 3.11 -0.21 4.42 1.02 0.18 -0.10 118.68 128.07 2d6l s LEU 33 Ca -0.02 -0.23 -0.01 0.00 0.02 0.00 0.00 54.13 53.88 2d6l s LEU 33 Cb -0.15 -1.77 0.01 0.00 0.02 0.00 0.00 46.19 44.31 2d6l s LEU 33 CO -0.03 0.09 -0.12 -1.58 0.02 0.00 0.00 176.35 174.73 2d6l s GLN 34 N 0.81 3.09 0.00 1.70 2.00 -0.30 0.70 119.66 127.66 2d6l s GLN 34 Ca -0.01 -0.79 0.00 0.00 -2.00 0.00 0.00 55.36 52.56 2d6l s GLN 34 Cb -0.15 -2.80 0.00 0.00 0.80 0.00 0.00 33.01 30.87 2d6l s GLN 34 CO 0.02 -0.24 0.00 0.41 -0.50 0.00 0.00 175.29 174.97 2d6l n GLY 35 N 4.69 2.50 2.86 2.59 0.00 -0.88 -0.17 105.19 116.78 2d6l n GLY 35 Ca -0.19 -0.86 -0.20 0.00 0.00 0.00 0.00 46.02 44.76 2d6l n GLY 35 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2d6l s THR 36 N -2.96 0.47 0.11 2.61 2.01 0.55 -0.98 115.64 117.45 2d6l s THR 36 Ca 0.00 -0.05 -0.31 0.00 0.31 0.00 0.00 61.69 61.64 2d6l s THR 36 Cb 0.00 -0.53 -0.07 0.00 0.01 0.00 0.00 72.50 71.91 2d6l s THR 36 CO 0.00 0.22 1.29 -0.89 -0.69 0.00 0.00 174.62 174.55 2d6l s THR 37 N 1.15 3.60 0.94 -0.82 2.01 -0.83 -0.76 115.64 120.93 2d6l s THR 37 Ca -0.07 1.19 -0.11 0.00 0.31 0.00 0.00 61.69 63.00 2d6l s THR 37 Cb -0.14 -3.76 0.16 0.00 0.01 0.00 0.00 72.50 68.77 2d6l s THR 37 CO -0.01 0.11 1.11 -0.54 -0.69 0.00 0.00 174.62 174.60 2d6l s LYS 38 N 0.80 0.80 0.45 4.92 1.02 -0.99 -0.17 119.74 126.57 2d6l s LYS 38 Ca 0.60 1.32 0.25 0.00 0.02 0.00 0.00 55.97 58.16 2d6l s LYS 38 Cb -0.33 -1.72 0.83 0.00 -0.52 0.00 0.00 37.83 36.09 2d6l s LYS 38 CO 0.31 -2.70 1.78 0.77 -0.92 0.00 0.00 175.35 174.60 2d6l h SER 39 N -1.91 0.00 -0.79 2.83 0.02 -1.89 -0.11 113.55 111.70 2d6l h SER 39 Ca -0.47 0.00 -0.45 0.00 -0.84 0.00 0.00 61.79 60.03 2d6l h SER 39 Cb 1.28 0.00 -0.42 0.00 0.14 0.00 0.00 62.40 63.40 2d6l h SER 39 CO 0.45 0.17 -0.93 0.49 -1.14 0.00 0.00 176.83 175.88 2d6l n PHE 40 N -3.26 2.26 -2.03 3.45 3.72 -1.26 -4.54 117.46 115.80 2d6l n PHE 40 Ca 0.01 -2.38 -0.41 0.00 -0.05 0.00 0.00 57.45 54.62 2d6l n PHE 40 Cb 0.45 -0.27 -0.02 0.00 -0.94 0.00 0.00 39.48 38.70 2d6l n PHE 40 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2d6l s ALA 41 N -3.61 3.59 -0.24 4.37 0.00 -1.19 -4.94 121.76 119.74 2d6l s ALA 41 Ca 0.41 1.32 -0.11 0.00 0.00 0.00 0.00 51.96 53.58 2d6l s ALA 41 Cb 0.39 -3.54 -0.11 0.00 0.00 0.00 0.00 23.12 19.86 2d6l s ALA 41 CO -0.02 -0.73 -0.30 1.04 0.00 0.00 0.00 175.76 175.75 2d6l n GLN 42 N 1.86 0.51 -3.65 0.00 6.02 -1.26 -4.70 117.38 116.16 2d6l n GLN 42 Ca 0.05 0.22 -0.11 0.00 -0.01 0.00 0.00 57.00 57.15 2d6l n GLN 42 Cb 0.41 -1.36 -0.05 0.00 1.02 0.00 0.00 30.24 30.26 2d6l n GLN 42 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 2d6l s ARG 43 N -2.44 1.04 0.17 -1.09 0.52 -1.26 -0.15 118.95 115.75 2d6l s ARG 43 Ca -0.33 -0.69 -0.01 0.00 -0.52 0.00 0.00 55.73 54.17 2d6l s ARG 43 Cb 0.13 0.46 -0.04 0.00 0.52 0.00 0.00 34.95 36.01 2d6l s ARG 43 CO 0.43 -0.40 0.10 -0.59 0.02 0.00 0.00 175.30 174.85 2d6l s PHE 44 N -3.70 1.06 -0.03 -0.53 -0.12 -0.93 -0.72 117.98 113.00 2d6l s PHE 44 Ca 0.02 -1.31 0.01 0.00 -0.05 0.00 0.00 56.93 55.61 2d6l s PHE 44 Cb 0.02 -0.54 0.02 0.00 -0.63 0.00 0.00 43.02 41.88 2d6l s PHE 44 CO -0.11 -0.57 -0.04 0.08 -0.05 0.00 0.00 175.22 174.53 2d6l s VAL 45 N -4.09 0.42 -0.21 -2.49 1.01 0.32 -3.15 120.40 112.21 2d6l s VAL 45 Ca 0.33 -0.11 0.01 0.00 0.00 0.00 0.00 61.98 62.20 2d6l s VAL 45 Cb 0.07 -0.43 0.03 0.00 0.00 0.00 0.00 36.38 36.04 2d6l s VAL 45 CO 0.08 0.17 -0.15 -0.69 0.00 0.00 0.00 175.10 174.51 2d6l s VAL 46 N 0.60 2.30 -0.12 2.92 1.01 0.11 -1.26 120.40 125.97 2d6l s VAL 46 Ca -0.07 -1.04 0.00 0.00 0.00 0.00 0.00 61.98 60.87 2d6l s VAL 46 Cb -0.11 -2.08 -0.02 0.00 0.00 0.00 0.00 36.38 34.18 2d6l s VAL 46 CO -0.00 0.38 -0.12 0.20 0.00 0.00 0.00 175.10 175.55 2d6l s ASN 47 N 1.28 4.12 -0.33 3.32 0.01 0.66 -0.30 114.94 123.69 2d6l s ASN 47 Ca 0.02 -0.27 -0.09 0.00 -0.71 0.00 0.00 52.86 51.80 2d6l s ASN 47 Cb -0.15 -1.49 0.01 0.00 0.41 0.00 0.00 41.25 40.03 2d6l s ASN 47 CO -0.10 0.20 0.15 -0.36 -1.51 0.00 0.00 177.10 175.49 2d6l s PHE 48 N 0.13 3.20 0.05 2.20 0.08 -0.28 -1.07 117.98 122.29 2d6l s PHE 48 Ca -0.06 -0.86 -0.01 0.00 0.12 0.00 0.00 56.93 56.12 2d6l s PHE 48 Cb -0.15 -2.35 -0.04 0.00 -0.57 0.00 0.00 43.02 39.91 2d6l s PHE 48 CO 0.04 -0.57 -0.03 1.14 -0.10 0.00 0.00 175.22 175.70 2d6l s GLN 49 N 1.55 0.60 -0.46 0.44 -2.07 -0.29 -0.53 119.66 118.90 2d6l s GLN 49 Ca 0.03 -1.17 -0.23 0.00 -1.82 0.00 0.00 55.36 52.18 2d6l s GLN 49 Cb -0.18 0.16 0.03 0.00 -1.09 0.00 0.00 33.01 31.93 2d6l s GLN 49 CO 0.05 -0.10 0.77 -0.80 -1.32 0.00 0.00 175.29 173.89 2d6l s ASN 50 N -2.78 6.37 0.04 12.60 0.02 -0.49 -2.12 114.94 128.59 2d6l s ASN 50 Ca 0.05 -0.23 0.00 0.00 -1.02 0.00 0.00 52.86 51.66 2d6l s ASN 50 Cb 0.06 -2.37 0.00 0.00 0.02 0.00 0.00 41.25 38.96 2d6l s ASN 50 CO -0.09 -0.92 0.00 -1.54 0.02 0.00 0.00 177.10 174.57 2d6l n SER 51 N 6.68 -0.81 0.19 -1.22 3.41 -1.26 -4.57 113.62 116.03 2d6l n SER 51 Ca 0.01 0.09 0.14 0.00 -0.26 0.00 0.00 58.87 58.85 2d6l n SER 51 Cb 0.48 -0.43 0.53 0.00 -0.26 0.00 0.00 64.21 64.52 2d6l n SER 51 CO 0.00 0.00 0.00 2.19 -0.16 0.00 0.00 175.04 177.07 2d6l h PHE 52 N -0.13 0.00 0.00 7.33 -5.15 -1.97 -3.34 116.94 113.68 2d6l h PHE 52 Ca -0.01 0.00 -0.11 0.00 -0.20 0.00 0.00 57.97 57.65 2d6l h PHE 52 Cb 0.13 0.00 -0.02 0.00 0.22 0.00 0.00 35.95 36.28 2d6l h PHE 52 CO -0.04 0.00 -0.52 -2.95 -2.00 0.00 0.00 178.31 172.80 2d6l h ASN 53 N 0.00 0.00 0.00 -0.68 -1.07 -1.99 -3.47 115.58 108.37 2d6l h ASN 53 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.37 2d6l h ASN 53 Cb 0.51 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.76 2d6l h ASN 53 CO 0.00 0.52 0.00 0.61 0.07 0.00 0.00 177.43 178.63 2d6l n GLY 54 N 0.24 0.42 0.23 9.14 0.00 -1.25 -4.91 105.19 109.06 2d6l n GLY 54 Ca -0.01 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.98 2d6l n GLY 54 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 2d6l h ASN 55 N 0.00 0.44 -3.57 1.61 2.35 -1.91 -3.41 115.58 111.09 2d6l h ASN 55 Ca 0.00 -0.16 -0.64 0.00 -0.55 0.00 0.00 56.30 54.95 2d6l h ASN 55 Cb 0.20 -0.12 -0.40 0.00 0.05 0.00 0.00 38.32 38.05 2d6l h ASN 55 CO 0.00 0.73 -0.73 -1.81 -1.65 0.00 0.00 177.43 173.96 2d6l s ASP 56 N -6.83 4.55 -0.36 5.81 1.01 -1.26 -1.40 116.67 118.19 2d6l s ASP 56 Ca -0.06 -1.97 -0.04 0.00 0.71 0.00 0.00 52.55 51.19 2d6l s ASP 56 Cb 0.14 -1.43 0.07 0.00 1.01 0.00 0.00 42.92 42.71 2d6l s ASP 56 CO 0.79 -0.38 0.12 -0.63 0.21 0.00 0.00 175.17 175.28 2d6l s ILE 57 N 1.10 3.33 0.33 0.77 1.01 0.44 -1.40 121.20 126.78 2d6l s ILE 57 Ca 0.09 -1.60 0.01 0.00 0.00 0.00 0.00 60.65 59.15 2d6l s ILE 57 Cb -0.19 -3.06 0.27 0.00 0.01 0.00 0.00 42.46 39.49 2d6l s ILE 57 CO -0.12 -0.38 1.99 0.00 0.00 0.00 0.00 174.94 176.43 2d6l h ALA 58 N 8.08 1.53 -2.26 9.38 0.00 -1.04 0.92 119.26 135.87 2d6l h ALA 58 Ca -0.18 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.67 2d6l h ALA 58 Cb 1.06 -0.27 -0.24 0.00 0.00 0.00 0.00 17.79 18.34 2d6l h ALA 58 CO 0.62 0.42 -0.26 0.12 0.00 0.00 0.00 179.25 180.15 2d6l s PHE 59 N -5.79 -1.05 -0.21 0.00 5.36 -1.13 -4.56 117.98 110.59 2d6l s PHE 59 Ca -0.11 1.88 -0.03 0.00 -0.96 0.00 0.00 56.93 57.71 2d6l s PHE 59 Cb 0.18 0.53 -0.01 0.00 -0.34 0.00 0.00 43.02 43.38 2d6l s PHE 59 CO 0.78 -0.57 -0.06 -1.58 -1.46 0.00 0.00 175.22 172.32 2d6l s HIS 60 N 2.74 2.94 -0.27 10.12 5.65 -0.10 -1.13 115.29 135.24 2d6l s HIS 60 Ca -0.03 -0.93 -0.00 0.00 0.25 0.00 0.00 55.06 54.34 2d6l s HIS 60 Cb -0.12 -2.07 0.04 0.00 -1.18 0.00 0.00 32.58 29.25 2d6l s HIS 60 CO -0.16 -0.52 -0.05 0.12 -0.65 0.00 0.00 174.74 173.49 2d6l s PHE 61 N 1.34 3.19 -0.48 3.88 5.36 0.59 -2.29 117.98 129.57 2d6l s PHE 61 Ca 0.04 -1.88 0.05 0.00 -0.96 0.00 0.00 56.93 54.17 2d6l s PHE 61 Cb -0.14 -2.04 0.18 0.00 -0.34 0.00 0.00 43.02 40.67 2d6l s PHE 61 CO -0.03 -0.80 0.40 -1.71 -1.46 0.00 0.00 175.22 171.62 2d6l n ASN 62 N 4.59 0.46 -4.73 6.13 5.15 -0.16 -0.71 115.26 126.00 2d6l n ASN 62 Ca -0.15 -2.62 -0.42 0.00 -0.60 0.00 0.00 54.58 50.79 2d6l n ASN 62 Cb 0.44 -0.61 -0.02 0.00 -0.53 0.00 0.00 39.78 39.07 2d6l n ASN 62 CO 0.00 0.00 0.00 -2.65 1.40 0.00 0.00 177.26 176.01 2d6l n PRO 63 N 2.45 2.55 -3.84 1.20 -0.02 -1.19 -2.23 135.00 133.91 2d6l n PRO 63 Ca 0.27 0.91 -0.28 0.00 -2.02 0.00 0.00 63.50 62.38 2d6l n PRO 63 Cb 0.45 -2.66 -0.16 0.00 -0.02 0.00 0.00 33.50 31.11 2d6l n PRO 63 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 2d6l s ARG 64 N -0.47 1.13 -1.46 -0.52 0.52 0.36 -2.20 118.95 116.32 2d6l s ARG 64 Ca 0.65 -0.50 -0.11 0.00 -0.52 0.00 0.00 55.73 55.25 2d6l s ARG 64 Cb -0.53 -2.03 0.04 0.00 0.52 0.00 0.00 34.95 32.94 2d6l s ARG 64 CO 0.49 -0.51 2.40 1.19 0.02 0.00 0.00 175.30 178.88 2d6l n PHE 65 N 4.93 2.97 -3.86 -0.53 3.72 0.79 -1.82 117.46 123.65 2d6l n PHE 65 Ca -0.10 -2.96 -0.12 0.00 -0.05 0.00 0.00 57.45 54.22 2d6l n PHE 65 Cb 0.47 -2.33 -0.11 0.00 -0.94 0.00 0.00 39.48 36.57 2d6l n PHE 65 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 176.76 175.50 2d6l s GLU 66 N 1.78 0.32 -1.57 -1.08 2.02 -1.26 -4.85 118.70 114.07 2d6l s GLU 66 Ca 0.53 -0.14 -0.11 0.00 0.02 0.00 0.00 54.97 55.27 2d6l s GLU 66 Cb 0.15 0.14 0.09 0.00 0.10 0.00 0.00 34.13 34.61 2d6l s GLU 66 CO -0.06 -0.07 0.70 0.39 0.02 0.00 0.00 175.26 176.23 2d6l n GLU 67 N 2.18 -3.62 0.00 1.61 1.02 -1.26 -1.17 120.64 119.40 2d6l n GLU 67 Ca -0.18 0.42 0.00 0.00 -0.02 0.00 0.00 57.16 57.38 2d6l n GLU 67 Cb 0.57 -4.97 0.00 0.00 -0.02 0.00 0.00 31.44 27.02 2d6l n GLU 67 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2d6l n GLY 68 N -1.65 3.24 0.00 0.62 0.00 -1.26 -4.87 105.19 101.27 2d6l n GLY 68 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.95 2d6l n GLY 68 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2d6l n GLY 69 N -1.09 2.05 3.43 -0.02 0.00 -0.31 -4.78 105.19 104.46 2d6l n GLY 69 Ca 0.00 -1.09 -0.10 0.00 0.00 0.00 0.00 46.02 44.83 2d6l n GLY 69 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2d6l s TYR 70 N 0.00 -0.10 -0.09 1.61 -0.85 -0.76 -3.45 117.35 113.70 2d6l s TYR 70 Ca 0.00 -0.23 0.04 0.00 -0.52 0.00 0.00 57.07 56.35 2d6l s TYR 70 Cb 0.00 0.30 0.00 0.00 0.38 0.00 0.00 41.96 42.64 2d6l s TYR 70 CO 0.00 -0.82 -0.22 0.08 -1.52 0.00 0.00 175.55 173.07 2d6l s VAL 71 N -3.86 1.91 -0.11 -3.49 1.01 -0.64 -0.49 120.40 114.74 2d6l s VAL 71 Ca 0.08 -0.93 -0.16 0.00 0.00 0.00 0.00 61.98 60.96 2d6l s VAL 71 Cb 0.00 -1.66 -0.05 0.00 0.00 0.00 0.00 36.38 34.68 2d6l s VAL 71 CO -0.06 0.53 0.41 -0.69 0.00 0.00 0.00 175.10 175.29 2d6l s VAL 72 N 0.40 5.20 -0.10 2.92 1.01 -0.95 -0.86 120.40 128.02 2d6l s VAL 72 Ca -0.18 0.81 0.03 0.00 0.00 0.00 0.00 61.98 62.64 2d6l s VAL 72 Cb -0.18 -3.74 0.00 0.00 0.00 0.00 0.00 36.38 32.46 2d6l s VAL 72 CO 0.08 0.38 -0.22 0.00 0.00 0.00 0.00 175.10 175.34 2d6l s ASN 74 N 0.50 0.21 -0.00 0.00 3.84 -0.97 -0.81 114.94 117.71 2d6l s ASN 74 Ca -0.15 -1.12 0.05 0.00 0.21 0.00 0.00 52.86 51.85 2d6l s ASN 74 Cb -0.17 0.62 -0.01 0.00 -0.55 0.00 0.00 41.25 41.13 2d6l s ASN 74 CO 0.06 -1.22 -0.17 -0.89 -2.79 0.00 0.00 177.10 172.09 2d6l s THR 75 N -3.61 1.34 -0.12 -5.21 2.01 -1.26 -0.92 115.64 107.87 2d6l s THR 75 Ca 0.25 -0.79 0.02 0.00 0.31 0.00 0.00 61.69 61.47 2d6l s THR 75 Cb -0.01 -1.13 -0.01 0.00 0.01 0.00 0.00 72.50 71.37 2d6l s THR 75 CO 0.12 0.32 -0.18 -0.75 -0.69 0.00 0.00 174.62 173.45 2d6l s LYS 76 N -0.54 3.21 -0.07 4.92 2.20 0.32 -1.19 119.74 128.59 2d6l s LYS 76 Ca 0.06 -0.78 0.03 0.00 -0.36 0.00 0.00 55.97 54.93 2d6l s LYS 76 Cb -0.07 -2.49 0.01 0.00 -1.51 0.00 0.00 37.83 33.77 2d6l s LYS 76 CO -0.00 0.16 -0.16 -0.65 -0.36 0.00 0.00 175.35 174.34 2d6l s GLN 77 N 0.43 2.03 -1.65 4.03 -0.21 -0.28 -0.42 119.66 123.60 2d6l s GLN 77 Ca -0.13 -0.57 -0.12 0.00 0.02 0.00 0.00 55.36 54.56 2d6l s GLN 77 Cb -0.17 -1.65 0.11 0.00 1.00 0.00 0.00 33.01 32.30 2d6l s GLN 77 CO 0.06 0.12 0.50 0.09 -2.12 0.00 0.00 175.29 173.94 2d6l n ASN 78 N 3.57 -1.42 0.00 5.90 3.02 -1.20 0.45 115.26 125.59 2d6l n ASN 78 Ca -0.21 -1.12 0.00 0.00 -0.03 0.00 0.00 54.58 53.22 2d6l n ASN 78 Cb 0.52 -2.32 0.00 0.00 -0.61 0.00 0.00 39.78 37.38 2d6l n ASN 78 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2d6l n GLY 79 N -1.71 0.67 3.24 7.41 0.00 -0.49 -5.02 105.19 109.29 2d6l n GLY 79 Ca -0.08 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.61 2d6l n GLY 79 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2d6l s GLN 80 N -0.22 3.17 0.26 1.61 -0.21 0.17 -5.08 119.66 119.37 2d6l s GLN 80 Ca 0.00 -0.78 -0.29 0.00 0.02 0.00 0.00 55.36 54.31 2d6l s GLN 80 Cb 0.00 -2.58 -0.09 0.00 1.00 0.00 0.00 33.01 31.34 2d6l s GLN 80 CO 0.00 0.01 1.25 -1.58 -2.12 0.00 0.00 175.29 172.85 2d6l s TRP 81 N 0.82 3.27 0.00 0.91 0.52 -1.26 -1.12 118.94 122.08 2d6l s TRP 81 Ca -0.06 1.41 0.00 0.00 0.02 0.00 0.00 56.10 57.48 2d6l s TRP 81 Cb -0.15 -3.55 0.00 0.00 -1.15 0.00 0.00 33.47 28.62 2d6l s TRP 81 CO -0.01 -1.52 0.00 0.41 0.02 0.00 0.00 176.95 175.85 2d6l n GLY 82 N 1.53 0.02 3.71 0.98 0.00 -0.33 -4.97 105.19 106.12 2d6l n GLY 82 Ca 0.02 -1.78 -0.42 0.00 0.00 0.00 0.00 46.02 43.84 2d6l n GLY 82 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2d6l s PRO 83 N -0.33 4.34 0.53 1.61 0.04 -1.26 -4.85 135.00 135.08 2d6l s PRO 83 Ca 0.00 1.98 -0.20 0.00 0.04 0.00 0.00 61.00 62.82 2d6l s PRO 83 Cb 0.00 -3.32 -0.07 0.00 0.04 0.00 0.00 34.50 31.16 2d6l s PRO 83 CO 0.00 -0.41 1.10 -1.21 0.04 0.00 0.00 177.00 176.52 2d6l s GLU 84 N 1.26 3.50 -0.33 4.56 2.02 -1.26 -4.77 118.70 123.68 2d6l s GLU 84 Ca 0.63 1.52 -0.02 0.00 0.02 0.00 0.00 54.97 57.12 2d6l s GLU 84 Cb -0.34 -2.03 0.07 0.00 0.10 0.00 0.00 34.13 31.92 2d6l s GLU 84 CO 0.29 -0.71 0.05 -1.21 0.02 0.00 0.00 175.26 173.70 2d6l s GLU 85 N -3.29 2.27 -0.38 1.61 2.02 0.01 -5.00 118.70 115.94 2d6l s GLU 85 Ca 0.71 -1.43 -0.13 0.00 0.02 0.00 0.00 54.97 54.13 2d6l s GLU 85 Cb -0.21 -3.27 0.01 0.00 0.10 0.00 0.00 34.13 30.76 2d6l s GLU 85 CO 0.25 -0.74 0.26 1.03 0.02 0.00 0.00 175.26 176.07 2d6l s ARG 86 N 1.20 3.05 -0.44 1.61 0.52 -1.26 -1.26 118.95 122.38 2d6l s ARG 86 Ca -0.01 -0.95 -0.25 0.00 -0.52 0.00 0.00 55.73 54.01 2d6l s ARG 86 Cb -0.20 -3.87 0.02 0.00 0.52 0.00 0.00 34.95 31.42 2d6l s ARG 86 CO -0.02 -0.66 0.87 0.21 0.02 0.00 0.00 175.30 175.72 2d6l s LYS 87 N 1.66 3.56 -1.51 3.54 2.47 -0.04 -4.94 119.74 124.49 2d6l s LYS 87 Ca 0.04 0.16 -0.10 0.00 -1.56 0.00 0.00 55.97 54.52 2d6l s LYS 87 Cb -0.19 -3.90 -0.10 0.00 -1.46 0.00 0.00 37.83 32.18 2d6l s LYS 87 CO 0.09 -1.12 2.98 -1.33 0.16 0.00 0.00 175.35 176.13 2d6l n MET 88 N 6.92 3.55 -3.59 4.03 2.81 -1.26 -1.61 117.12 127.97 2d6l n MET 88 Ca 0.05 -2.10 -0.16 0.00 -1.81 0.00 0.00 57.70 53.68 2d6l n MET 88 Cb 0.48 -2.74 -0.07 0.00 -0.71 0.00 0.00 33.22 30.19 2d6l n MET 88 CO 0.00 0.00 0.00 -1.14 1.51 0.00 0.00 175.97 176.34 2d6l s GLN 89 N 2.14 0.92 -0.34 0.03 0.74 -1.22 -4.94 119.66 116.99 2d6l s GLN 89 Ca 0.69 0.57 0.01 0.00 0.05 0.00 0.00 55.36 56.68 2d6l s GLN 89 Cb 0.19 0.44 0.09 0.00 1.10 0.00 0.00 33.01 34.82 2d6l s GLN 89 CO -0.06 -0.21 0.05 1.41 -0.55 0.00 0.00 175.29 175.94 2d6l s MET 90 N -0.46 1.94 0.00 1.67 -2.45 -1.24 -3.75 119.30 115.01 2d6l s MET 90 Ca -0.06 -1.65 0.28 0.00 -1.25 0.00 0.00 55.69 53.01 2d6l s MET 90 Cb -0.03 -3.25 1.07 0.00 1.25 0.00 0.00 34.83 33.87 2d6l s MET 90 CO 0.05 -0.85 1.75 -0.35 1.05 0.00 0.00 175.02 176.68 2d6l n PRO 91 N 4.45 1.27 -4.00 4.11 -0.04 -1.26 -4.86 135.00 134.68 2d6l n PRO 91 Ca -0.04 -0.67 -0.22 0.00 -0.04 0.00 0.00 63.50 62.53 2d6l n PRO 91 Cb 0.42 -1.49 -0.03 0.00 -0.04 0.00 0.00 33.50 32.37 2d6l n PRO 91 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 2d6l s PHE 92 N -2.19 3.38 -0.01 0.54 0.08 -1.26 -4.95 117.98 113.58 2d6l s PHE 92 Ca 0.34 -0.02 0.01 0.00 0.12 0.00 0.00 56.93 57.38 2d6l s PHE 92 Cb 0.20 -1.55 0.00 0.00 -0.57 0.00 0.00 43.02 41.11 2d6l s PHE 92 CO 0.40 0.47 -0.04 -1.14 -0.10 0.00 0.00 175.22 174.81 2d6l s GLN 93 N -3.83 0.37 0.21 0.44 0.74 -1.26 -5.11 119.66 111.21 2d6l s GLN 93 Ca 0.34 -0.12 -0.32 0.00 0.05 0.00 0.00 55.36 55.31 2d6l s GLN 93 Cb -0.09 -0.38 -0.12 0.00 1.10 0.00 0.00 33.01 33.51 2d6l s GLN 93 CO 0.28 0.05 1.70 1.63 -0.55 0.00 0.00 175.29 178.40 2d6l n LYS 94 N 3.20 2.71 -0.96 1.67 5.02 -1.26 -1.94 118.16 126.60 2d6l n LYS 94 Ca -0.16 0.98 0.00 0.00 -2.02 0.00 0.00 58.31 57.11 2d6l n LYS 94 Cb 0.57 -2.81 0.00 0.00 -0.02 0.00 0.00 35.03 32.76 2d6l n LYS 94 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2d6l n GLY 95 N 3.83 0.68 3.57 0.72 0.00 0.76 -4.76 105.19 109.99 2d6l n GLY 95 Ca 0.16 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.86 2d6l n GLY 95 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2d6l s MET 96 N -0.19 2.42 0.47 1.61 -1.94 -0.82 -4.82 119.30 116.03 2d6l s MET 96 Ca 0.00 -0.80 -0.22 0.00 -1.71 0.00 0.00 55.69 52.95 2d6l s MET 96 Cb 0.00 -2.42 -0.07 0.00 2.01 0.00 0.00 34.83 34.34 2d6l s MET 96 CO 0.00 0.58 1.14 -1.25 -0.01 0.00 0.00 175.02 175.48 2d6l s PRO 97 N -1.52 3.76 0.06 2.03 0.04 -1.26 -1.97 135.00 136.13 2d6l s PRO 97 Ca 0.17 1.69 0.00 0.00 0.04 0.00 0.00 61.00 62.91 2d6l s PRO 97 Cb -0.11 -2.35 -0.04 0.00 0.04 0.00 0.00 34.50 32.04 2d6l s PRO 97 CO 0.08 -0.53 -0.04 -0.59 0.04 0.00 0.00 177.00 175.95 2d6l s PHE 98 N -1.62 0.62 -0.31 0.56 -0.12 -0.15 -4.95 117.98 112.02 2d6l s PHE 98 Ca 0.64 -0.93 -0.00 0.00 -0.05 0.00 0.00 56.93 56.59 2d6l s PHE 98 Cb -0.26 -0.41 0.06 0.00 -0.63 0.00 0.00 43.02 41.78 2d6l s PHE 98 CO 0.32 -0.27 0.00 -2.00 -0.05 0.00 0.00 175.22 173.22 2d6l s GLU 99 N -3.49 2.26 -0.29 1.99 2.12 -1.26 -2.07 118.70 117.96 2d6l s GLU 99 Ca 0.05 -1.40 -0.08 0.00 0.36 0.00 0.00 54.97 53.90 2d6l s GLU 99 Cb 0.04 -3.17 -0.00 0.00 0.26 0.00 0.00 34.13 31.26 2d6l s GLU 99 CO -0.07 -0.69 0.11 -1.17 -0.54 0.00 0.00 175.26 172.90 2d6l s LEU 100 N 1.18 3.88 -0.13 2.70 2.96 0.22 -0.81 118.68 128.67 2d6l s LEU 100 Ca -0.03 -0.53 0.02 0.00 -0.22 0.00 0.00 54.13 53.36 2d6l s LEU 100 Cb -0.20 -1.94 0.01 0.00 0.50 0.00 0.00 46.19 44.56 2d6l s LEU 100 CO -0.03 -0.16 -0.18 0.00 -1.32 0.00 0.00 176.35 174.66 2d6l s PHE 102 N 0.94 3.10 -0.18 0.00 0.08 0.23 -0.00 117.98 122.15 2d6l s PHE 102 Ca -0.06 -0.77 -0.06 0.00 0.12 0.00 0.00 56.93 56.16 2d6l s PHE 102 Cb -0.15 -2.23 -0.03 0.00 -0.57 0.00 0.00 43.02 40.03 2d6l s PHE 102 CO -0.02 -0.50 0.02 -1.17 -0.10 0.00 0.00 175.22 173.45 2d6l s LEU 103 N 1.54 3.53 -0.49 -0.37 2.96 0.44 -1.17 118.68 125.12 2d6l s LEU 103 Ca 0.04 -0.04 -0.19 0.00 -0.22 0.00 0.00 54.13 53.73 2d6l s LEU 103 Cb -0.16 -1.88 0.05 0.00 0.50 0.00 0.00 46.19 44.70 2d6l s LEU 103 CO 0.02 0.15 0.58 -0.69 -1.32 0.00 0.00 176.35 175.09 2d6l s VAL 104 N 0.50 4.94 0.57 1.68 1.01 -0.04 -1.00 120.40 128.06 2d6l s VAL 104 Ca 0.00 -0.53 0.06 0.00 0.00 0.00 0.00 61.98 61.52 2d6l s VAL 104 Cb -0.13 -4.25 0.07 0.00 0.00 0.00 0.00 36.38 32.07 2d6l s VAL 104 CO 0.02 -0.73 0.78 -1.10 0.00 0.00 0.00 175.10 174.07 2d6l s GLN 105 N 2.45 2.32 0.21 2.72 -0.21 -0.26 0.15 119.66 127.05 2d6l s GLN 105 Ca 0.14 -1.36 -0.07 0.00 0.02 0.00 0.00 55.36 54.09 2d6l s GLN 105 Cb -0.19 -2.59 0.16 0.00 1.00 0.00 0.00 33.01 31.38 2d6l s GLN 105 CO 0.12 -0.83 1.73 -0.09 -2.12 0.00 0.00 175.29 174.09 2d6l h ARG 106 N 0.13 1.09 0.00 2.91 2.43 -1.97 -3.31 114.38 115.66 2d6l h ARG 106 Ca -0.35 -0.27 -0.12 0.00 -0.81 0.00 0.00 59.98 58.44 2d6l h ARG 106 Cb 1.28 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 30.67 2d6l h ARG 106 CO 0.43 0.97 -2.08 0.43 -1.51 0.00 0.00 179.97 178.21 2d6l n SER 107 N -4.23 0.23 -3.70 -3.80 7.64 -1.26 -4.95 113.62 103.54 2d6l n SER 107 Ca 0.05 0.00 -0.10 0.00 1.01 0.00 0.00 58.87 59.83 2d6l n SER 107 Cb 0.27 1.61 -0.05 0.00 -1.01 0.00 0.00 64.21 65.03 2d6l n SER 107 CO 0.00 0.00 0.00 -1.83 -3.01 0.00 0.00 175.04 170.20 2d6l s GLU 108 N -3.11 1.12 0.07 1.43 1.03 -1.25 -1.68 118.70 116.32 2d6l s GLU 108 Ca -0.08 -0.80 -0.25 0.00 0.03 0.00 0.00 54.97 53.87 2d6l s GLU 108 Cb 0.11 0.46 -0.06 0.00 -0.80 0.00 0.00 34.13 33.84 2d6l s GLU 108 CO 0.84 -0.44 0.76 -0.06 -1.33 0.00 0.00 175.26 175.03 2d6l s PHE 109 N -3.84 3.78 -0.11 4.83 0.08 0.20 -1.10 117.98 121.81 2d6l s PHE 109 Ca 0.06 1.50 -0.04 0.00 0.12 0.00 0.00 56.93 58.56 2d6l s PHE 109 Cb 0.02 -2.79 -0.04 0.00 -0.57 0.00 0.00 43.02 39.64 2d6l s PHE 109 CO -0.09 0.34 0.03 0.15 -0.10 0.00 0.00 175.22 175.56 2d6l s LYS 110 N -0.34 3.30 -0.17 0.44 -0.14 -0.17 -0.88 119.74 121.78 2d6l s LYS 110 Ca 0.37 -0.35 0.01 0.00 -1.36 0.00 0.00 55.97 54.64 2d6l s LYS 110 Cb -0.21 -2.95 0.01 0.00 -1.68 0.00 0.00 37.83 33.00 2d6l s LYS 110 CO 0.23 0.60 -0.18 0.08 -0.76 0.00 0.00 175.35 175.32 2d6l s VAL 111 N -0.58 2.28 -0.19 3.17 1.01 0.62 -0.42 120.40 126.29 2d6l s VAL 111 Ca 0.10 -0.88 -0.06 0.00 0.00 0.00 0.00 61.98 61.14 2d6l s VAL 111 Cb -0.12 -1.96 -0.03 0.00 0.00 0.00 0.00 36.38 34.27 2d6l s VAL 111 CO 0.02 0.53 0.04 -0.04 0.00 0.00 0.00 175.10 175.65 2d6l s MET 112 N 1.15 3.82 -0.21 2.72 1.00 1.00 -0.17 119.30 128.61 2d6l s MET 112 Ca 0.01 -0.42 -0.03 0.00 0.00 0.00 0.00 55.69 55.25 2d6l s MET 112 Cb -0.14 -3.16 -0.01 0.00 0.00 0.00 0.00 34.83 31.52 2d6l s MET 112 CO -0.08 0.16 -0.06 0.08 0.00 0.00 0.00 175.02 175.12 2d6l s VAL 113 N 0.64 3.23 -1.33 -6.03 1.01 -0.02 -0.69 120.40 117.21 2d6l s VAL 113 Ca 0.02 -0.55 -0.06 0.00 0.00 0.00 0.00 61.98 61.39 2d6l s VAL 113 Cb -0.13 -2.45 0.02 0.00 0.00 0.00 0.00 36.38 33.81 2d6l s VAL 113 CO 0.02 0.44 1.07 0.59 0.00 0.00 0.00 175.10 177.22 2d6l n ASN 114 N 4.67 -4.47 0.00 3.32 3.02 0.01 -2.00 115.26 119.82 2d6l n ASN 114 Ca -0.18 -0.62 0.00 0.00 -0.03 0.00 0.00 54.58 53.75 2d6l n ASN 114 Cb 0.51 -4.84 0.00 0.00 -0.61 0.00 0.00 39.78 34.84 2d6l n ASN 114 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 2d6l n LYS 115 N -4.65 0.00 -4.15 3.52 5.02 -1.26 -4.99 118.16 111.65 2d6l n LYS 115 Ca -0.10 0.00 -0.35 0.00 -2.02 0.00 0.00 58.31 55.84 2d6l n LYS 115 Cb 0.60 -3.32 -0.08 0.00 -0.02 0.00 0.00 35.03 32.22 2d6l n LYS 115 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 2d6l s LYS 116 N -0.34 3.16 0.21 1.97 1.02 -0.85 -5.05 119.74 119.87 2d6l s LYS 116 Ca 0.00 -0.32 -0.32 0.00 0.02 0.00 0.00 55.97 55.35 2d6l s LYS 116 Cb 0.00 -2.95 -0.12 0.00 -0.52 0.00 0.00 37.83 34.24 2d6l s LYS 116 CO 0.00 0.72 1.70 0.34 -0.92 0.00 0.00 175.35 177.20 2d6l n PHE 117 N 1.92 2.72 -0.00 3.18 7.35 -1.26 -0.84 117.46 130.53 2d6l n PHE 117 Ca -0.18 0.07 -0.02 0.00 -0.76 0.00 0.00 57.45 56.56 2d6l n PHE 117 Cb 0.54 -2.66 -0.01 0.00 0.35 0.00 0.00 39.48 37.70 2d6l n PHE 117 CO 0.00 0.00 0.00 0.34 -0.76 0.00 0.00 176.76 176.34 2d6l n PHE 118 N 3.79 0.00 -4.06 -5.13 7.35 0.76 -4.82 117.46 115.35 2d6l n PHE 118 Ca 0.16 0.00 -0.08 0.00 -0.76 0.00 0.00 57.45 56.76 2d6l n PHE 118 Cb 0.34 -0.13 -0.10 0.00 0.35 0.00 0.00 39.48 39.94 2d6l n PHE 118 CO 0.00 0.00 0.00 0.14 -0.76 0.00 0.00 176.76 176.14 2d6l s VAL 119 N -1.88 0.25 0.11 -2.13 -7.23 -1.16 -5.01 120.40 103.35 2d6l s VAL 119 Ca -0.07 -1.49 0.04 0.00 -1.81 0.00 0.00 61.98 58.65 2d6l s VAL 119 Cb 0.01 -1.07 -0.04 0.00 0.56 0.00 0.00 36.38 35.84 2d6l s VAL 119 CO 0.11 -0.79 0.07 -1.58 -0.31 0.00 0.00 175.10 172.60 2d6l s GLN 120 N -2.97 2.77 -0.18 4.82 0.74 -1.26 -0.27 119.66 123.30 2d6l s GLN 120 Ca -0.01 -0.80 -0.04 0.00 0.05 0.00 0.00 55.36 54.56 2d6l s GLN 120 Cb 0.01 -2.63 0.08 0.00 1.10 0.00 0.00 33.01 31.56 2d6l s GLN 120 CO -0.06 0.53 0.17 -0.47 -0.55 0.00 0.00 175.29 174.91 2d6l s TYR 121 N -1.48 -0.11 0.17 1.67 5.04 -0.06 -4.99 117.35 117.59 2d6l s TYR 121 Ca 0.29 0.05 -0.30 0.00 -2.44 0.00 0.00 57.07 54.67 2d6l s TYR 121 Cb -0.11 -0.47 -0.08 0.00 0.35 0.00 0.00 41.96 41.64 2d6l s TYR 121 CO 0.21 -0.55 1.30 -0.65 -1.34 0.00 0.00 175.55 174.52 2d6l s GLN 122 N 2.26 4.40 0.05 4.97 -0.21 -1.26 -0.63 119.66 129.23 2d6l s GLN 122 Ca 0.05 2.01 -0.33 0.00 0.02 0.00 0.00 55.36 57.11 2d6l s GLN 122 Cb -0.16 -3.22 -0.11 0.00 1.00 0.00 0.00 33.01 30.52 2d6l s GLN 122 CO -0.11 -0.26 1.82 0.72 -2.12 0.00 0.00 175.29 175.35 2d6l n HIS 123 N 2.90 2.44 0.01 0.91 8.25 -0.68 -4.86 115.22 124.20 2d6l n HIS 123 Ca 0.07 -0.05 0.03 0.00 -0.26 0.00 0.00 57.72 57.51 2d6l n HIS 123 Cb 0.43 -2.68 -0.10 0.00 1.12 0.00 0.00 29.99 28.76 2d6l n HIS 123 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 2d6l n ARG 124 N 5.81 0.64 -4.14 -0.41 1.74 -1.26 -4.98 116.66 114.05 2d6l n ARG 124 Ca 0.20 0.05 -0.09 0.00 -0.77 0.00 0.00 57.85 57.24 2d6l n ARG 124 Cb 0.33 -1.69 -0.10 0.00 -1.02 0.00 0.00 32.46 29.99 2d6l n ARG 124 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 2d6l s VAL 125 N -3.09 0.29 0.31 1.55 -7.23 -1.26 -5.13 120.40 105.84 2d6l s VAL 125 Ca -0.05 -1.88 -0.29 0.00 -1.81 0.00 0.00 61.98 57.95 2d6l s VAL 125 Cb 0.10 -1.80 -0.10 0.00 0.56 0.00 0.00 36.38 35.14 2d6l s VAL 125 CO 0.84 -0.73 1.39 -2.84 -0.31 0.00 0.00 175.10 173.44 2d6l s PRO 126 N -3.95 4.28 0.30 4.82 0.02 -1.26 -4.94 135.00 134.27 2d6l s PRO 126 Ca 0.16 2.31 0.16 0.00 0.02 0.00 0.00 61.00 63.65 2d6l s PRO 126 Cb 0.07 -3.07 0.10 0.00 0.02 0.00 0.00 34.50 31.62 2d6l s PRO 126 CO -0.04 -0.33 1.46 0.10 -0.33 0.00 0.00 177.00 177.86 2d6l h TYR 127 N 3.93 0.00 0.00 6.54 -0.00 -1.97 -3.30 116.97 122.17 2d6l h TYR 127 Ca -0.48 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.25 2d6l h TYR 127 Cb 1.23 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.96 2d6l h TYR 127 CO 0.57 0.45 0.00 1.12 -0.00 0.00 0.00 178.16 180.30 2d6l h HIS 128 N 0.00 0.00 0.00 0.10 2.07 -1.92 -1.70 115.15 113.69 2d6l h HIS 128 Ca -0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 2d6l h HIS 128 Cb 1.34 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.32 2d6l h HIS 128 CO 0.00 0.00 0.00 1.28 -3.07 0.00 0.00 177.93 176.14 2d6l n LEU 129 N -3.04 0.02 -4.67 6.12 4.77 -1.24 -4.29 117.00 114.68 2d6l n LEU 129 Ca -0.00 0.50 -0.43 0.00 -0.03 0.00 0.00 56.01 56.05 2d6l n LEU 129 Cb 0.25 -0.50 -0.02 0.00 -2.33 0.00 0.00 43.42 40.82 2d6l n LEU 129 CO 0.25 -0.05 0.90 -0.69 -1.33 0.00 0.00 177.39 176.47 2d6l s VAL 130 N -3.00 4.67 -0.03 4.08 1.01 -0.64 -4.35 120.40 122.14 2d6l s VAL 130 Ca 0.13 1.99 0.04 0.00 0.00 0.00 0.00 61.98 64.14 2d6l s VAL 130 Cb 0.17 -4.28 0.06 0.00 0.00 0.00 0.00 36.38 32.33 2d6l s VAL 130 CO 0.49 -0.13 0.90 -0.90 0.00 0.00 0.00 175.10 175.46 2d6l n ASP 131 N 5.98 1.18 -3.74 3.32 5.68 -1.01 -0.76 116.55 127.21 2d6l n ASP 131 Ca 0.11 -1.96 -0.13 0.00 -0.50 0.00 0.00 54.79 52.31 2d6l n ASP 131 Cb 0.47 -0.13 -0.14 0.00 -1.14 0.00 0.00 41.12 40.18 2d6l n ASP 131 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 2d6l s THR 132 N -0.96 -0.05 -0.15 2.12 2.01 -0.90 -0.24 115.64 117.48 2d6l s THR 132 Ca 0.07 0.17 -0.04 0.00 0.31 0.00 0.00 61.69 62.20 2d6l s THR 132 Cb 0.06 -0.30 -0.03 0.00 0.01 0.00 0.00 72.50 72.24 2d6l s THR 132 CO 0.01 0.07 -0.03 -0.51 -0.69 0.00 0.00 174.62 173.47 2d6l s ILE 133 N 1.23 4.02 -0.10 1.82 2.07 -0.24 -1.13 121.20 128.86 2d6l s ILE 133 Ca -0.09 -0.32 0.02 0.00 -1.41 0.00 0.00 60.65 58.85 2d6l s ILE 133 Cb -0.11 -2.75 0.01 0.00 0.13 0.00 0.00 42.46 39.74 2d6l s ILE 133 CO -0.07 0.50 -0.17 0.00 -1.91 0.00 0.00 174.94 173.30 2d6l s ALA 134 N 0.21 1.75 -0.08 1.50 0.00 -0.23 -1.40 121.76 123.51 2d6l s ALA 134 Ca -0.01 -0.75 0.04 0.00 0.00 0.00 0.00 51.96 51.23 2d6l s ALA 134 Cb -0.14 -0.80 0.00 0.00 0.00 0.00 0.00 23.12 22.18 2d6l s ALA 134 CO 0.03 0.01 -0.19 0.08 0.00 0.00 0.00 175.76 175.69 2d6l s VAL 135 N 0.82 1.66 0.23 0.00 1.01 0.78 -0.25 120.40 124.65 2d6l s VAL 135 Ca -0.10 -0.80 -0.13 0.00 0.00 0.00 0.00 61.98 60.96 2d6l s VAL 135 Cb -0.16 -1.45 -0.00 0.00 0.00 0.00 0.00 36.38 34.78 2d6l s VAL 135 CO 0.01 0.47 0.46 -0.94 0.00 0.00 0.00 175.10 175.10 2d6l s SER 136 N 0.37 -0.10 0.00 3.32 1.04 -0.39 -0.11 113.70 117.83 2d6l s SER 136 Ca -0.14 -0.86 0.00 0.00 0.48 0.00 0.00 55.95 55.43 2d6l s SER 136 Cb -0.16 0.56 0.00 0.00 0.10 0.00 0.00 66.02 66.52 2d6l s SER 136 CO 0.06 -1.09 0.00 0.61 0.98 0.00 0.00 173.24 173.79 2d6l n GLY 137 N -0.35 -0.57 2.69 7.32 0.00 -1.26 -0.53 105.19 112.49 2d6l n GLY 137 Ca -0.03 -1.99 -0.42 0.00 0.00 0.00 0.00 46.02 43.58 2d6l n GLY 137 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2d6l s LEU 139 N 0.15 0.67 0.13 0.00 2.34 -1.26 -2.35 118.68 118.35 2d6l s LEU 139 Ca 0.48 -0.59 0.11 0.00 0.06 0.00 0.00 54.13 54.18 2d6l s LEU 139 Cb 0.13 1.57 -0.04 0.00 -0.56 0.00 0.00 46.19 47.30 2d6l s LEU 139 CO -0.05 -0.89 -0.25 -0.75 -1.06 0.00 0.00 176.35 173.35 2d6l s LYS 140 N -3.88 1.49 0.03 1.48 2.20 0.06 -4.87 119.74 116.25 2d6l s LYS 140 Ca 0.09 -1.31 0.07 0.00 -0.36 0.00 0.00 55.97 54.47 2d6l s LYS 140 Cb 0.02 -1.95 -0.02 0.00 -1.51 0.00 0.00 37.83 34.37 2d6l s LYS 140 CO -0.06 0.46 -0.21 -0.51 -0.36 0.00 0.00 175.35 174.67 2d6l s LEU 141 N -2.07 2.15 -0.17 5.43 1.43 -1.26 -0.33 118.68 123.86 2d6l s LEU 141 Ca 0.15 -0.51 0.10 0.00 -1.03 0.00 0.00 54.13 52.85 2d6l s LEU 141 Cb -0.10 -1.02 -0.17 0.00 0.03 0.00 0.00 46.19 44.93 2d6l s LEU 141 CO 0.07 0.18 -0.01 -1.54 0.23 0.00 0.00 176.35 175.28 2d6l n SER 142 N 1.96 1.53 -3.56 2.29 3.41 0.76 -4.27 113.62 115.74 2d6l n SER 142 Ca -0.17 -0.03 -0.08 0.00 -0.26 0.00 0.00 58.87 58.34 2d6l n SER 142 Cb 0.53 0.54 -0.02 0.00 -0.26 0.00 0.00 64.21 65.01 2d6l n SER 142 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 175.04 175.60 2d6l s PHE 143 N -2.38 -0.32 -0.08 7.33 -0.71 -1.03 0.02 117.98 120.81 2d6l s PHE 143 Ca -0.13 0.12 0.03 0.00 -1.04 0.00 0.00 56.93 55.90 2d6l s PHE 143 Cb 0.05 0.57 0.01 0.00 -1.21 0.00 0.00 43.02 42.44 2d6l s PHE 143 CO 0.59 -0.68 -0.16 0.42 -1.34 0.00 0.00 175.22 174.04 2d6l s ILE 144 N -3.28 1.48 0.13 -4.49 1.01 0.52 -1.15 121.20 115.43 2d6l s ILE 144 Ca 0.06 -0.67 0.09 0.00 0.00 0.00 0.00 60.65 60.13 2d6l s ILE 144 Cb -0.01 -1.32 -0.04 0.00 0.01 0.00 0.00 42.46 41.09 2d6l s ILE 144 CO -0.06 0.43 -0.18 0.42 0.00 0.00 0.00 174.94 175.55 2d6l s THR 145 N 0.62 2.83 -0.16 2.92 -4.23 0.86 -1.33 115.64 117.14 2d6l s THR 145 Ca -0.15 -1.58 0.00 0.00 -1.18 0.00 0.00 61.69 58.79 2d6l s THR 145 Cb -0.16 -2.31 0.03 0.00 1.34 0.00 0.00 72.50 71.40 2d6l s THR 145 CO 0.04 0.05 -0.09 -0.36 -0.54 0.00 0.00 174.62 173.72 2d6l s PHE 146 N -1.26 1.95 0.05 3.99 0.08 -1.26 -0.88 117.98 120.65 2d6l s PHE 146 Ca 0.19 -1.16 0.02 0.00 0.12 0.00 0.00 56.93 56.10 2d6l s PHE 146 Cb -0.10 -1.45 -0.03 0.00 -0.57 0.00 0.00 43.02 40.87 2d6l s PHE 146 CO 0.11 -0.64 -0.08 -0.65 -0.10 0.00 0.00 175.22 173.86 2d6l s GLN 147 N 1.55 0.57 0.22 0.44 -0.21 -0.30 -0.85 119.66 121.07 2d6l s GLN 147 Ca 0.02 -0.81 0.06 0.00 0.02 0.00 0.00 55.36 54.66 2d6l s GLN 147 Cb -0.14 -0.32 -0.05 0.00 1.00 0.00 0.00 33.01 33.50 2d6l s GLN 147 CO -0.09 0.05 -0.10 -0.08 -2.12 0.00 0.00 175.29 172.96 2d6l s THR 148 N -1.51 1.54 -1.07 -0.19 -1.32 0.52 -0.32 115.64 113.30 2d6l s THR 148 Ca -0.08 -2.15 0.29 0.00 -1.21 0.00 0.00 61.69 58.54 2d6l s THR 148 Cb -0.09 -2.15 0.24 0.00 -1.51 0.00 0.00 72.50 68.99 2d6l s THR 148 CO 0.00 -0.52 1.86 0.00 -2.21 0.00 0.00 174.62 173.76 2d6l n GLN 149 N -0.40 0.07 0.00 7.08 6.02 -1.26 -0.58 117.38 128.31 2d6l n GLN 149 Ca -0.07 -0.01 0.14 0.00 -0.01 0.00 0.00 57.00 57.04 2d6l n GLN 149 Cb 0.62 -1.50 0.47 0.00 1.02 0.00 0.00 30.24 30.84 2d6l n GLN 149 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14