#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wmo s MET 1 N 0.00 4.56 0.43 1.57 -2.45 -1.26 -5.02 119.30 117.13 2wmo s MET 1 Ca 0.00 1.76 -0.24 0.00 -1.25 0.00 0.00 55.69 55.96 2wmo s MET 1 Cb 0.00 -3.27 -0.08 0.00 1.25 0.00 0.00 34.83 32.73 2wmo s MET 1 CO 0.00 0.02 1.14 -1.14 1.05 0.00 0.00 175.02 176.09 2wmo s GLN 2 N -0.30 3.93 -0.17 4.11 0.74 -1.26 -4.85 119.66 121.86 2wmo s GLN 2 Ca 0.51 1.75 -0.00 0.00 0.05 0.00 0.00 55.36 57.66 2wmo s GLN 2 Cb -0.30 -2.52 0.00 0.00 1.10 0.00 0.00 33.01 31.29 2wmo s GLN 2 CO 0.35 -0.40 -0.15 0.99 -0.55 0.00 0.00 175.29 175.54 2wmo s THR 3 N -1.52 2.60 -0.18 -0.34 2.01 -1.26 -1.95 115.64 115.00 2wmo s THR 3 Ca 0.60 -0.78 -0.07 0.00 0.31 0.00 0.00 61.69 61.76 2wmo s THR 3 Cb -0.28 -2.11 -0.04 0.00 0.01 0.00 0.00 72.50 70.08 2wmo s THR 3 CO 0.35 0.51 0.05 -0.63 -0.69 0.00 0.00 174.62 174.20 2wmo s ILE 4 N 1.03 4.66 -0.35 1.82 1.01 -0.38 -4.96 121.20 124.03 2wmo s ILE 4 Ca -0.01 -0.08 -0.23 0.00 0.00 0.00 0.00 60.65 60.32 2wmo s ILE 4 Cb -0.15 -3.09 0.01 0.00 0.01 0.00 0.00 42.46 39.24 2wmo s ILE 4 CO -0.04 0.47 0.79 -0.75 0.00 0.00 0.00 174.94 175.41 2wmo s LYS 5 N 0.35 3.80 -0.18 2.79 2.20 -1.26 -1.29 119.74 126.14 2wmo s LYS 5 Ca 0.02 0.38 -0.01 0.00 -0.36 0.00 0.00 55.97 56.00 2wmo s LYS 5 Cb -0.13 -3.79 0.00 0.00 -1.51 0.00 0.00 37.83 32.41 2wmo s LYS 5 CO 0.00 -0.82 -0.14 0.00 -0.36 0.00 0.00 175.35 174.04 2wmo s VAL 7 N 1.18 3.43 -0.21 0.00 1.01 -0.91 -0.38 120.40 124.52 2wmo s VAL 7 Ca 0.02 -0.55 -0.04 0.00 0.00 0.00 0.00 61.98 61.41 2wmo s VAL 7 Cb -0.14 -2.43 -0.01 0.00 0.00 0.00 0.00 36.38 33.80 2wmo s VAL 7 CO -0.06 0.55 -0.03 -0.69 0.00 0.00 0.00 175.10 174.87 2wmo s VAL 8 N -0.16 3.51 0.21 2.92 1.01 -0.44 -0.90 120.40 126.57 2wmo s VAL 8 Ca 0.01 -0.45 0.05 0.00 0.00 0.00 0.00 61.98 61.59 2wmo s VAL 8 Cb -0.13 -2.59 -0.05 0.00 0.00 0.00 0.00 36.38 33.61 2wmo s VAL 8 CO 0.03 0.43 -0.07 0.68 0.00 0.00 0.00 175.10 176.16 2wmo s VAL 9 N 1.32 1.36 0.00 2.92 -7.23 -0.28 -3.38 120.40 115.11 2wmo s VAL 9 Ca 0.04 -2.10 0.00 0.00 -1.81 0.00 0.00 61.98 58.11 2wmo s VAL 9 Cb -0.14 -2.18 0.00 0.00 0.56 0.00 0.00 36.38 34.62 2wmo s VAL 9 CO -0.01 -0.48 0.00 0.61 -0.31 0.00 0.00 175.10 174.90 2wmo n GLY 10 N -0.39 3.63 3.54 2.32 0.00 -1.26 -0.41 105.19 112.63 2wmo n GLY 10 Ca -0.07 -1.36 -0.38 0.00 0.00 0.00 0.00 46.02 44.20 2wmo n GLY 10 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2wmo n ASP 11 N 0.00 -0.07 -4.69 1.61 9.92 -1.26 -4.02 116.55 118.03 2wmo n ASP 11 Ca 0.00 0.79 -0.41 0.00 -0.53 0.00 0.00 54.79 54.64 2wmo n ASP 11 Cb 0.00 -1.28 0.01 0.00 -0.64 0.00 0.00 41.12 39.21 2wmo n ASP 11 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2wmo n GLY 12 N 1.52 0.47 2.23 0.44 0.00 -1.25 -2.94 105.19 105.66 2wmo n GLY 12 Ca 0.12 0.21 -0.01 0.00 0.00 0.00 0.00 46.02 46.34 2wmo n GLY 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wmo n ALA 13 N -0.15 -0.01 0.17 4.61 0.00 -1.26 -4.86 120.51 118.99 2wmo n ALA 13 Ca 0.07 0.02 0.06 0.00 0.00 0.00 0.00 53.44 53.58 2wmo n ALA 13 Cb 0.39 -0.46 0.07 0.00 0.00 0.00 0.00 19.45 19.45 2wmo n ALA 13 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.50 177.11 2wmo h VAL 14 N 0.00 0.55 0.00 0.00 -1.51 -1.90 -3.48 116.25 109.92 2wmo h VAL 14 Ca -0.02 -1.78 0.00 0.00 -1.23 0.00 0.00 66.70 63.67 2wmo h VAL 14 Cb 0.26 2.26 0.00 0.00 -2.13 0.00 0.00 31.29 31.69 2wmo h VAL 14 CO 0.03 0.31 0.00 0.61 -1.23 0.00 0.00 177.57 177.29 2wmo n GLY 15 N 1.18 1.97 0.35 5.19 0.00 -1.26 -4.57 105.19 108.05 2wmo n GLY 15 Ca 0.03 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.89 2wmo n GLY 15 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2wmo h LYS 16 N 0.00 -0.69 -0.59 1.61 6.56 -1.91 -2.68 116.57 118.86 2wmo h LYS 16 Ca 0.00 0.05 -0.06 0.00 -1.06 0.00 0.00 60.65 59.58 2wmo h LYS 16 Cb 0.00 0.16 -0.03 0.00 -0.57 0.00 0.00 32.23 31.79 2wmo h LYS 16 CO 0.00 -0.46 0.13 1.15 -2.06 0.00 0.00 179.45 178.21 2wmo h THR 17 N -0.71 1.24 -0.25 -0.16 2.02 -1.97 -2.63 112.91 110.45 2wmo h THR 17 Ca -0.03 -0.89 -0.01 0.00 0.77 0.00 0.00 66.41 66.25 2wmo h THR 17 Cb 0.62 0.65 -0.01 0.00 -1.74 0.00 0.00 68.15 67.67 2wmo h THR 17 CO -0.02 0.33 0.12 0.00 0.37 0.00 0.00 175.52 176.33 2wmo h LEU 19 N 0.27 0.00 -0.09 0.00 8.10 -1.45 0.73 115.31 122.88 2wmo h LEU 19 Ca 0.09 0.00 -0.02 0.00 0.11 0.00 0.00 57.88 58.06 2wmo h LEU 19 Cb 0.10 0.00 -0.00 0.00 -0.44 0.00 0.00 40.66 40.32 2wmo h LEU 19 CO -0.01 0.35 -0.02 -0.07 -4.11 0.00 0.00 178.44 174.58 2wmo h LEU 20 N 0.00 0.17 -0.27 0.17 3.38 -1.07 -2.00 115.31 115.69 2wmo h LEU 20 Ca -0.00 -0.37 -0.04 0.00 0.09 0.00 0.00 57.88 57.56 2wmo h LEU 20 Cb 0.71 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.40 2wmo h LEU 20 CO 0.05 0.50 0.02 0.40 0.09 0.00 0.00 178.44 179.50 2wmo h ILE 21 N -0.17 1.24 -0.72 1.22 2.04 -0.83 -2.31 117.51 117.99 2wmo h ILE 21 Ca 0.02 -0.86 -0.03 0.00 1.00 0.00 0.00 64.86 65.00 2wmo h ILE 21 Cb 0.43 1.27 -0.03 0.00 -0.74 0.00 0.00 36.82 37.75 2wmo h ILE 21 CO 0.01 0.27 0.35 0.28 0.00 0.00 0.00 178.15 179.06 2wmo h SER 22 N 0.27 0.93 -0.12 1.72 0.02 -0.93 0.25 113.55 115.68 2wmo h SER 22 Ca 0.08 -0.13 -0.01 0.00 -0.84 0.00 0.00 61.79 60.89 2wmo h SER 22 Cb 0.38 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 62.68 2wmo h SER 22 CO 0.01 0.80 0.04 0.22 -1.14 0.00 0.00 176.83 176.76 2wmo h TYR 23 N 1.00 0.19 0.00 3.45 3.20 -1.32 0.10 116.97 123.59 2wmo h TYR 23 Ca 0.25 -0.02 -0.14 0.00 3.14 0.00 0.00 58.73 61.96 2wmo h TYR 23 Cb 0.11 -0.06 -0.02 0.00 1.54 0.00 0.00 36.73 38.30 2wmo h TYR 23 CO 0.01 0.30 -0.66 1.79 -1.64 0.00 0.00 178.16 177.95 2wmo h THR 24 N 0.03 1.23 0.00 1.81 1.35 -1.21 -3.30 112.91 112.82 2wmo h THR 24 Ca 0.04 -2.50 0.00 0.00 -0.55 0.00 0.00 66.41 63.40 2wmo h THR 24 Cb 0.19 2.45 0.00 0.00 -1.73 0.00 0.00 68.15 69.06 2wmo h THR 24 CO -0.00 0.65 -1.29 0.35 -0.25 0.00 0.00 175.52 174.98 2wmo n THR 25 N -3.39 0.00 -0.32 6.82 -2.24 0.06 -4.97 114.28 110.23 2wmo n THR 25 Ca 0.01 -0.27 0.00 0.00 -2.27 0.00 0.00 64.05 61.52 2wmo n THR 25 Cb 0.75 0.51 0.00 0.00 -2.10 0.00 0.00 70.33 69.49 2wmo n THR 25 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 2wmo n ASN 26 N -1.75 0.00 -4.76 3.42 4.13 0.36 -4.99 115.26 111.67 2wmo n ASN 26 Ca -0.00 0.00 -0.37 0.00 1.68 0.00 0.00 54.58 55.89 2wmo n ASN 26 Cb 0.33 -0.66 0.02 0.00 -1.54 0.00 0.00 39.78 37.94 2wmo n ASN 26 CO 0.00 0.00 0.00 -0.54 0.28 0.00 0.00 177.26 177.00 2wmo s LYS 27 N -0.13 3.26 0.29 3.52 1.02 -1.25 -4.99 119.74 121.46 2wmo s LYS 27 Ca 0.00 1.87 -0.10 0.00 0.02 0.00 0.00 55.97 57.76 2wmo s LYS 27 Cb 0.00 -2.13 -0.07 0.00 -0.52 0.00 0.00 37.83 35.11 2wmo s LYS 27 CO 0.00 -0.99 0.63 -0.06 -0.92 0.00 0.00 175.35 174.01 2wmo s PHE 28 N -1.54 3.44 0.29 3.18 0.08 -1.26 -4.31 117.98 117.85 2wmo s PHE 28 Ca 0.72 0.91 0.02 0.00 0.12 0.00 0.00 56.93 58.71 2wmo s PHE 28 Cb -0.31 -2.31 0.73 0.00 -0.57 0.00 0.00 43.02 40.57 2wmo s PHE 28 CO 0.35 0.14 1.63 -1.35 -0.10 0.00 0.00 175.22 175.89 2wmo h PRO 29 N 2.04 0.15 0.00 0.24 0.11 -1.87 0.18 132.00 132.84 2wmo h PRO 29 Ca -0.47 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 65.63 2wmo h PRO 29 Cb 1.18 -0.03 -0.00 0.00 0.11 0.00 0.00 31.00 32.26 2wmo h PRO 29 CO 0.67 0.10 -0.00 0.66 -0.21 0.00 0.00 178.00 179.21 2wmo h SER 30 N 0.15 0.00 -0.33 -2.05 4.64 -1.97 -2.44 113.55 111.55 2wmo h SER 30 Ca 0.57 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.89 2wmo h SER 30 Cb 1.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.26 2wmo h SER 30 CO -0.71 0.00 0.00 -0.62 -0.87 0.00 0.00 176.83 174.63 2wmo n GLU 31 N -3.55 2.41 -1.91 4.77 1.02 0.62 -4.98 120.64 119.01 2wmo n GLU 31 Ca -0.03 -2.12 -0.41 0.00 -0.02 0.00 0.00 57.16 54.58 2wmo n GLU 31 Cb 0.08 -1.50 -0.02 0.00 -0.02 0.00 0.00 31.44 29.98 2wmo n GLU 31 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 2wmo s TYR 32 N -1.57 2.89 -0.42 -0.32 4.12 -0.92 -4.94 117.35 116.19 2wmo s TYR 32 Ca 0.37 0.97 -0.18 0.00 0.02 0.00 0.00 57.07 58.25 2wmo s TYR 32 Cb 0.22 -3.92 0.02 0.00 -1.52 0.00 0.00 41.96 36.76 2wmo s TYR 32 CO 0.31 -2.99 0.50 0.08 0.02 0.00 0.00 175.55 173.47 2wmo s VAL 33 N -0.15 5.01 0.16 0.71 1.01 -1.26 -5.03 120.40 120.84 2wmo s VAL 33 Ca 0.60 -0.13 -0.32 0.00 0.00 0.00 0.00 61.98 62.13 2wmo s VAL 33 Cb -0.44 -4.07 -0.17 0.00 0.00 0.00 0.00 36.38 31.69 2wmo s VAL 33 CO 0.47 -0.44 0.83 -2.65 0.00 0.00 0.00 175.10 173.30 2wmo n PRO 34 N 5.80 0.37 -4.31 2.72 -0.02 -1.26 -4.98 135.00 133.32 2wmo n PRO 34 Ca -0.05 0.13 -0.23 0.00 -2.02 0.00 0.00 63.50 61.32 2wmo n PRO 34 Cb 0.48 -1.38 -0.12 0.00 -0.02 0.00 0.00 33.50 32.45 2wmo n PRO 34 CO 0.00 0.00 0.00 -0.08 1.98 0.00 0.00 175.50 177.40 2wmo s THR 35 N -0.62 1.80 -1.54 3.45 -1.32 -1.26 -5.03 115.64 111.13 2wmo s THR 35 Ca 0.72 -1.71 0.22 0.00 -1.21 0.00 0.00 61.69 59.71 2wmo s THR 35 Cb -0.97 -1.71 -0.09 0.00 -1.51 0.00 0.00 72.50 68.23 2wmo s THR 35 CO 0.56 -0.15 1.05 1.33 -2.21 0.00 0.00 174.62 175.20 2wmo n VAL 36 N 0.75 0.00 -3.74 5.08 0.24 -1.26 -4.98 118.33 114.42 2wmo n VAL 36 Ca -0.17 -0.13 -0.21 0.00 -2.04 0.00 0.00 64.34 61.79 2wmo n VAL 36 Cb 0.55 1.05 -0.03 0.00 -1.47 0.00 0.00 33.84 33.94 2wmo n VAL 36 CO 0.00 0.00 0.00 -0.36 -2.14 0.00 0.00 176.83 174.33 2wmo s PHE 37 N -2.73 2.91 0.35 6.34 0.08 -1.26 -5.14 117.98 118.53 2wmo s PHE 37 Ca 0.14 -0.31 0.09 0.00 0.12 0.00 0.00 56.93 56.97 2wmo s PHE 37 Cb 0.17 -1.86 -0.06 0.00 -0.57 0.00 0.00 43.02 40.70 2wmo s PHE 37 CO 0.70 0.13 -0.02 -0.51 -0.10 0.00 0.00 175.22 175.42 2wmo s ASP 38 N -4.03 4.01 0.27 1.36 1.01 -1.26 -5.09 116.67 112.94 2wmo s ASP 38 Ca 0.42 -1.09 0.00 0.00 0.71 0.00 0.00 52.55 52.59 2wmo s ASP 38 Cb -0.06 -0.46 0.00 0.00 1.01 0.00 0.00 42.92 43.41 2wmo s ASP 38 CO 0.27 -0.26 0.00 0.59 0.21 0.00 0.00 175.17 175.99 2wmo n ASN 39 N -0.91 -3.58 -3.77 0.27 3.02 -1.26 -5.02 115.26 104.00 2wmo n ASN 39 Ca -0.04 0.72 -0.13 0.00 -0.03 0.00 0.00 54.58 55.10 2wmo n ASN 39 Cb 0.63 -2.02 -0.09 0.00 -0.61 0.00 0.00 39.78 37.69 2wmo n ASN 39 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 2wmo s TYR 40 N -3.98 -0.20 -0.10 3.10 2.02 -0.73 -5.00 117.35 112.46 2wmo s TYR 40 Ca 0.00 0.38 0.01 0.00 -0.37 0.00 0.00 57.07 57.08 2wmo s TYR 40 Cb 0.00 0.09 0.02 0.00 -0.40 0.00 0.00 41.96 41.67 2wmo s TYR 40 CO 0.00 -0.33 -0.10 0.00 -1.57 0.00 0.00 175.55 173.55 2wmo s ALA 41 N -0.97 1.36 0.02 3.71 0.00 -1.26 0.20 121.76 124.82 2wmo s ALA 41 Ca -0.10 -0.54 0.03 0.00 0.00 0.00 0.00 51.96 51.35 2wmo s ALA 41 Cb -0.05 -0.81 -0.01 0.00 0.00 0.00 0.00 23.12 22.25 2wmo s ALA 41 CO 0.03 -0.23 -0.10 0.54 0.00 0.00 0.00 175.76 176.00 2wmo s VAL 42 N 1.33 0.76 0.07 0.00 0.11 -0.58 -4.96 120.40 117.12 2wmo s VAL 42 Ca -0.02 -0.71 -0.21 0.00 -2.93 0.00 0.00 61.98 58.11 2wmo s VAL 42 Cb -0.14 -0.70 -0.06 0.00 -1.53 0.00 0.00 36.38 33.95 2wmo s VAL 42 CO -0.04 -0.00 0.64 -0.89 -3.33 0.00 0.00 175.10 171.47 2wmo s THR 43 N -0.66 4.71 0.02 5.04 2.01 -1.26 0.51 115.64 126.02 2wmo s THR 43 Ca -0.00 1.37 0.04 0.00 0.31 0.00 0.00 61.69 63.40 2wmo s THR 43 Cb -0.06 -3.98 -0.02 0.00 0.01 0.00 0.00 72.50 68.45 2wmo s THR 43 CO 0.00 0.49 -0.11 -0.69 -0.69 0.00 0.00 174.62 173.62 2wmo s VAL 44 N -0.74 0.86 -0.40 3.82 1.01 0.16 -4.93 120.40 120.19 2wmo s VAL 44 Ca 0.32 -0.77 -0.13 0.00 0.00 0.00 0.00 61.98 61.40 2wmo s VAL 44 Cb -0.20 -0.78 0.03 0.00 0.00 0.00 0.00 36.38 35.42 2wmo s VAL 44 CO 0.20 0.02 0.26 -0.04 0.00 0.00 0.00 175.10 175.54 2wmo s MET 45 N -0.85 2.89 -0.14 2.72 -1.94 -1.26 0.84 119.30 121.56 2wmo s MET 45 Ca 0.01 -1.07 0.00 0.00 -1.71 0.00 0.00 55.69 52.92 2wmo s MET 45 Cb -0.06 -3.87 0.02 0.00 2.01 0.00 0.00 34.83 32.93 2wmo s MET 45 CO 0.00 -0.74 -0.13 0.42 -0.01 0.00 0.00 175.02 174.56 2wmo s ILE 46 N 1.61 1.46 -1.33 2.53 -1.09 0.60 -4.75 121.20 120.23 2wmo s ILE 46 Ca 0.03 -0.56 -0.00 0.00 -2.23 0.00 0.00 60.65 57.89 2wmo s ILE 46 Cb -0.19 -1.38 0.00 0.00 -1.58 0.00 0.00 42.46 39.31 2wmo s ILE 46 CO 0.08 0.44 0.01 0.61 -1.23 0.00 0.00 174.94 174.85 2wmo n GLY 47 N 4.76 -0.27 1.99 6.18 0.00 -1.26 -2.28 105.19 114.32 2wmo n GLY 47 Ca -0.16 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 45.63 2wmo n GLY 47 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wmo n GLY 48 N -1.02 1.81 3.65 -0.02 0.00 -1.26 -5.03 105.19 103.32 2wmo n GLY 48 Ca -0.18 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.53 2wmo n GLY 48 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2wmo s GLU 49 N -0.34 2.46 0.27 1.61 0.41 -0.96 -5.10 118.70 117.05 2wmo s GLU 49 Ca 0.00 -0.85 -0.18 0.00 -0.41 0.00 0.00 54.97 53.52 2wmo s GLU 49 Cb 0.00 -2.49 -0.09 0.00 -1.78 0.00 0.00 34.13 29.78 2wmo s GLU 49 CO 0.00 0.55 0.75 -2.14 -0.49 0.00 0.00 175.26 173.92 2wmo s PRO 50 N -2.13 4.17 0.05 0.39 0.02 -1.26 -0.29 135.00 135.95 2wmo s PRO 50 Ca 0.23 0.83 0.03 0.00 0.02 0.00 0.00 61.00 62.11 2wmo s PRO 50 Cb -0.11 -2.68 -0.02 0.00 0.02 0.00 0.00 34.50 31.70 2wmo s PRO 50 CO 0.15 0.28 -0.11 0.71 -0.33 0.00 0.00 177.00 177.71 2wmo s TYR 51 N -1.72 0.91 -0.25 6.54 2.02 0.25 -4.76 117.35 120.33 2wmo s TYR 51 Ca 0.48 -0.42 -0.15 0.00 -0.37 0.00 0.00 57.07 56.61 2wmo s TYR 51 Cb -0.14 -0.53 -0.04 0.00 -0.40 0.00 0.00 41.96 40.85 2wmo s TYR 51 CO 0.19 -0.01 0.38 0.95 -1.57 0.00 0.00 175.55 175.49 2wmo s THR 52 N -1.13 5.18 -0.32 -0.71 -4.23 -0.82 0.39 115.64 113.99 2wmo s THR 52 Ca -0.04 0.61 -0.11 0.00 -1.18 0.00 0.00 61.69 60.96 2wmo s THR 52 Cb -0.09 -3.71 -0.01 0.00 1.34 0.00 0.00 72.50 70.03 2wmo s THR 52 CO 0.01 0.18 0.20 -0.22 -0.54 0.00 0.00 174.62 174.25 2wmo s LEU 53 N 1.86 4.31 -0.29 4.79 2.96 0.18 -1.25 118.68 131.24 2wmo s LEU 53 Ca 0.16 -0.44 -0.15 0.00 -0.22 0.00 0.00 54.13 53.48 2wmo s LEU 53 Cb -0.15 -2.08 -0.03 0.00 0.50 0.00 0.00 46.19 44.43 2wmo s LEU 53 CO 0.09 -0.21 0.36 -0.83 -1.32 0.00 0.00 176.35 174.45 2wmo s GLY 54 N 1.68 1.88 -0.36 7.98 0.00 -0.41 -1.53 107.32 116.56 2wmo s GLY 54 Ca 0.05 -0.92 -0.06 0.00 0.00 0.00 0.00 44.72 43.80 2wmo s GLY 54 CO 0.09 0.97 0.13 1.08 0.00 0.00 0.00 173.10 175.37 2wmo s LEU 55 N 2.05 4.56 -0.32 0.66 1.43 0.13 -0.89 118.68 126.30 2wmo s LEU 55 Ca 0.14 -1.38 -0.17 0.00 -1.03 0.00 0.00 54.13 51.68 2wmo s LEU 55 Cb -0.16 -1.86 -0.01 0.00 0.03 0.00 0.00 46.19 44.19 2wmo s LEU 55 CO 0.11 -0.39 0.49 -0.36 0.23 0.00 0.00 176.35 176.42 2wmo s PHE 56 N 1.34 3.21 0.46 0.29 0.08 0.49 -1.77 117.98 122.08 2wmo s PHE 56 Ca 0.00 0.29 -0.10 0.00 0.12 0.00 0.00 56.93 57.24 2wmo s PHE 56 Cb -0.21 -2.83 -0.06 0.00 -0.57 0.00 0.00 43.02 39.36 2wmo s PHE 56 CO 0.01 -0.44 0.83 0.34 -0.10 0.00 0.00 175.22 175.86 2wmo s ASP 57 N 1.70 6.43 0.05 1.36 -1.08 -1.26 -1.32 116.67 122.55 2wmo s ASP 57 Ca 0.18 1.17 -0.03 0.00 -0.52 0.00 0.00 52.55 53.35 2wmo s ASP 57 Cb -0.16 -2.35 -0.02 0.00 -1.46 0.00 0.00 42.92 38.94 2wmo s ASP 57 CO 0.12 -0.53 0.04 0.42 0.52 0.00 0.00 175.17 175.74 2wmo s THR 58 N -2.60 0.17 0.19 1.71 -4.23 -1.22 -4.87 115.64 104.79 2wmo s THR 58 Ca 0.52 -1.39 -0.30 0.00 -1.18 0.00 0.00 61.69 59.33 2wmo s THR 58 Cb -0.10 -1.15 -0.08 0.00 1.34 0.00 0.00 72.50 72.51 2wmo s THR 58 CO 0.38 -0.77 1.01 0.00 -0.54 0.00 0.00 174.62 174.70 2wmo s ALA 59 N -3.22 3.33 -1.16 3.99 0.00 -1.26 -4.94 121.76 118.50 2wmo s ALA 59 Ca 0.00 0.70 0.26 0.00 0.00 0.00 0.00 51.96 52.92 2wmo s ALA 59 Cb 0.03 -3.29 0.66 0.00 0.00 0.00 0.00 23.12 20.52 2wmo s ALA 59 CO -0.07 -0.03 1.52 0.41 0.00 0.00 0.00 175.76 177.58 2wmo n GLY 60 N 1.84 -1.15 3.82 0.00 0.00 -1.26 -4.90 105.19 103.55 2wmo n GLY 60 Ca 0.01 -0.33 -0.33 0.00 0.00 0.00 0.00 46.02 45.37 2wmo n GLY 60 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2wmo s GLN 61 N -2.89 3.74 0.52 1.61 1.11 -1.26 -3.88 119.66 118.61 2wmo s GLN 61 Ca 0.15 1.09 0.25 0.00 0.01 0.00 0.00 55.36 56.85 2wmo s GLN 61 Cb 0.18 -2.10 1.43 0.00 -1.01 0.00 0.00 33.01 31.51 2wmo s GLN 61 CO 0.64 -0.45 2.09 0.93 0.01 0.00 0.00 175.29 178.51 2wmo h GLU 62 N 0.89 0.00 0.00 2.91 5.08 -2.01 -2.90 114.58 118.54 2wmo h GLU 62 Ca -0.47 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.89 2wmo h GLU 62 Cb 1.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.45 2wmo h GLU 62 CO 0.60 0.11 0.00 -0.25 -1.00 0.00 0.00 179.01 178.47 2wmo n ASP 63 N -3.82 0.00 -0.00 1.42 9.92 -1.26 -1.37 116.55 121.44 2wmo n ASP 63 Ca -0.02 0.41 0.00 0.00 -0.53 0.00 0.00 54.79 54.65 2wmo n ASP 63 Cb 0.21 -0.41 0.00 0.00 -0.64 0.00 0.00 41.12 40.28 2wmo n ASP 63 CO 0.00 0.00 0.00 -1.22 0.13 0.00 0.00 177.20 176.11 2wmo n TYR 64 N -1.41 0.00 -0.30 1.24 4.01 -1.10 -4.73 117.16 114.87 2wmo n TYR 64 Ca 0.00 -0.41 0.30 0.00 -0.16 0.00 0.00 57.90 57.64 2wmo n TYR 64 Cb 0.01 -0.04 0.66 0.00 -0.31 0.00 0.00 39.34 39.66 2wmo n TYR 64 CO 0.00 0.00 0.00 -0.44 -0.46 0.00 0.00 176.86 175.96 2wmo h ASP 65 N 0.00 0.15 -0.01 7.72 3.32 -1.36 -0.13 116.42 126.11 2wmo h ASP 65 Ca 0.00 0.03 -0.10 0.00 0.02 0.00 0.00 57.03 56.97 2wmo h ASP 65 Cb 0.62 0.01 0.01 0.00 0.22 0.00 0.00 39.33 40.18 2wmo h ASP 65 CO 0.00 0.03 -0.40 0.03 -1.72 0.00 0.00 179.24 177.18 2wmo h ARG 66 N 0.13 0.29 0.04 3.56 -0.00 -1.85 -3.36 114.38 113.20 2wmo h ARG 66 Ca 0.55 -0.30 -0.24 0.00 -0.50 0.00 0.00 59.98 59.49 2wmo h ARG 66 Cb 1.92 0.08 -0.02 0.00 0.00 0.00 0.00 29.97 31.95 2wmo h ARG 66 CO -0.11 0.99 -1.19 -0.07 0.00 0.00 0.00 179.97 179.60 2wmo h LEU 67 N -0.28 0.13 -0.48 3.04 3.38 -1.69 -3.39 115.31 116.02 2wmo h LEU 67 Ca -0.05 -0.16 0.09 0.00 0.09 0.00 0.00 57.88 57.86 2wmo h LEU 67 Cb 1.12 -0.04 -0.08 0.00 0.09 0.00 0.00 40.66 41.75 2wmo h LEU 67 CO 0.08 1.12 -0.02 -0.09 0.09 0.00 0.00 178.44 179.62 2wmo h ARG 68 N 0.02 0.09 0.00 1.13 2.43 -1.20 -1.35 114.38 115.50 2wmo h ARG 68 Ca -0.09 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.07 2wmo h ARG 68 Cb 1.87 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 31.40 2wmo h ARG 68 CO 0.14 0.06 0.00 -2.30 -1.51 0.00 0.00 179.97 176.36 2wmo n PRO 69 N -5.25 0.17 -0.29 0.20 -0.02 -1.26 -2.63 135.00 125.93 2wmo n PRO 69 Ca 0.05 0.17 0.02 0.00 -2.02 0.00 0.00 63.50 61.71 2wmo n PRO 69 Cb 0.26 -1.50 0.22 0.00 -0.02 0.00 0.00 33.50 32.46 2wmo n PRO 69 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 2wmo h LEU 70 N 0.00 0.93 0.00 2.45 3.38 -1.50 -1.46 115.31 119.11 2wmo h LEU 70 Ca 0.00 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.96 2wmo h LEU 70 Cb 0.14 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.68 2wmo h LEU 70 CO 0.00 0.64 0.00 -1.54 0.09 0.00 0.00 178.44 177.63 2wmo n SER 71 N -4.45 0.00 0.07 -0.43 3.41 -1.08 -4.08 113.62 107.07 2wmo n SER 71 Ca 0.12 -1.32 -0.12 0.00 -0.26 0.00 0.00 58.87 57.28 2wmo n SER 71 Cb 0.11 0.00 -0.13 0.00 -0.26 0.00 0.00 64.21 63.93 2wmo n SER 71 CO 0.00 0.00 0.00 1.88 -0.16 0.00 0.00 175.04 176.76 2wmo h TYR 72 N 0.00 0.24 -4.10 7.33 -1.99 -1.45 -3.45 116.97 113.56 2wmo h TYR 72 Ca 0.00 -0.18 -0.55 0.00 2.00 0.00 0.00 58.73 60.00 2wmo h TYR 72 Cb 0.00 -0.01 0.14 0.00 2.00 0.00 0.00 36.73 38.86 2wmo h TYR 72 CO 0.00 1.16 0.52 -2.14 -0.00 0.00 0.00 178.16 177.70 2wmo s PRO 73 N -2.67 2.75 0.00 4.88 0.02 -1.26 -2.92 135.00 135.80 2wmo s PRO 73 Ca -0.03 2.05 0.00 0.00 0.02 0.00 0.00 61.00 63.04 2wmo s PRO 73 Cb 0.08 -1.94 0.00 0.00 0.02 0.00 0.00 34.50 32.66 2wmo s PRO 73 CO 0.85 -1.44 0.00 1.04 -0.33 0.00 0.00 177.00 177.12 2wmo n GLN 74 N -1.67 0.00 -1.97 5.54 1.13 -1.26 -4.99 117.38 114.16 2wmo n GLN 74 Ca 0.14 0.00 -0.41 0.00 -1.94 0.00 0.00 57.00 54.79 2wmo n GLN 74 Cb 0.48 -2.57 -0.02 0.00 0.11 0.00 0.00 30.24 28.23 2wmo n GLN 74 CO 0.00 0.00 0.00 0.99 -1.44 0.00 0.00 177.06 176.61 2wmo s THR 75 N -3.48 2.56 -0.12 5.09 2.01 -1.15 -4.69 115.64 115.87 2wmo s THR 75 Ca 0.00 0.47 0.20 0.00 0.31 0.00 0.00 61.69 62.67 2wmo s THR 75 Cb 0.00 -3.30 -0.22 0.00 0.01 0.00 0.00 72.50 68.99 2wmo s THR 75 CO 0.00 0.07 0.55 0.47 -0.69 0.00 0.00 174.62 175.02 2wmo n ASP 76 N 2.45 0.34 -3.53 3.53 8.00 -0.62 -4.94 116.55 121.78 2wmo n ASP 76 Ca 0.08 0.14 -0.15 0.00 0.71 0.00 0.00 54.79 55.57 2wmo n ASP 76 Cb 0.40 1.08 -0.05 0.00 -0.02 0.00 0.00 41.12 42.53 2wmo n ASP 76 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2wmo s VAL 77 N -3.11 0.00 0.08 2.53 0.11 -0.87 -4.28 120.40 114.86 2wmo s VAL 77 Ca -0.06 0.00 0.08 0.00 -2.93 0.00 0.00 61.98 59.07 2wmo s VAL 77 Cb 0.10 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 33.92 2wmo s VAL 77 CO 0.85 0.00 -0.19 -0.36 -3.33 0.00 0.00 175.10 172.07 2wmo s PHE 78 N -1.52 2.52 -0.26 1.54 0.08 -0.43 -2.14 117.98 117.77 2wmo s PHE 78 Ca -0.06 -0.27 -0.01 0.00 0.12 0.00 0.00 56.93 56.70 2wmo s PHE 78 Cb -0.00 -1.40 0.04 0.00 -0.57 0.00 0.00 43.02 41.08 2wmo s PHE 78 CO 0.04 0.31 -0.05 -0.51 -0.10 0.00 0.00 175.22 174.90 2wmo s LEU 79 N -1.76 3.37 -0.40 -0.37 1.02 -0.08 -1.52 118.68 118.94 2wmo s LEU 79 Ca 0.16 -1.02 -0.16 0.00 0.02 0.00 0.00 54.13 53.12 2wmo s LEU 79 Cb -0.10 -1.66 0.01 0.00 0.02 0.00 0.00 46.19 44.46 2wmo s LEU 79 CO 0.07 -0.16 0.37 -0.69 0.02 0.00 0.00 176.35 175.96 2wmo s VAL 80 N 1.28 5.16 0.04 -1.59 1.01 -0.83 -1.13 120.40 124.35 2wmo s VAL 80 Ca -0.02 -0.38 -0.00 0.00 0.00 0.00 0.00 61.98 61.58 2wmo s VAL 80 Cb -0.18 -3.96 -0.04 0.00 0.00 0.00 0.00 36.38 32.21 2wmo s VAL 80 CO -0.04 -0.32 0.17 0.00 0.00 0.00 0.00 175.10 174.91 2wmo s PHE 82 N -1.42 -0.20 -0.05 0.00 -0.12 -0.56 -4.19 117.98 111.43 2wmo s PHE 82 Ca 0.31 0.26 -0.27 0.00 -0.05 0.00 0.00 56.93 57.19 2wmo s PHE 82 Cb -0.13 0.13 -0.03 0.00 -0.63 0.00 0.00 43.02 42.36 2wmo s PHE 82 CO 0.24 -0.44 0.85 0.45 -0.05 0.00 0.00 175.22 176.26 2wmo s SER 83 N -1.53 7.16 0.44 1.98 0.15 -1.26 -0.20 113.70 120.43 2wmo s SER 83 Ca -0.11 1.40 0.30 0.00 0.70 0.00 0.00 55.95 58.24 2wmo s SER 83 Cb -0.04 -2.49 1.49 0.00 -1.71 0.00 0.00 66.02 63.28 2wmo s SER 83 CO 0.03 -0.23 1.91 -0.37 1.20 0.00 0.00 173.24 175.78 2wmo h VAL 84 N 4.85 0.00 -0.55 4.45 -1.51 -1.67 0.27 116.25 122.09 2wmo h VAL 84 Ca -0.39 -0.14 0.00 0.00 -1.23 0.00 0.00 66.70 64.94 2wmo h VAL 84 Cb 1.20 0.89 0.00 0.00 -2.13 0.00 0.00 31.29 31.25 2wmo h VAL 84 CO 0.77 0.00 0.00 1.33 -1.23 0.00 0.00 177.57 178.44 2wmo n VAL 85 N -2.61 1.69 -3.80 7.19 0.24 -1.26 0.10 118.33 119.87 2wmo n VAL 85 Ca -0.01 -1.24 -0.30 0.00 -2.04 0.00 0.00 64.34 60.75 2wmo n VAL 85 Cb 0.13 0.17 -0.14 0.00 -1.47 0.00 0.00 33.84 32.54 2wmo n VAL 85 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 2wmo s SER 86 N -1.07 3.99 0.28 -1.34 0.15 0.08 -4.98 113.70 110.82 2wmo s SER 86 Ca 0.45 -2.49 0.01 0.00 0.70 0.00 0.00 55.95 54.62 2wmo s SER 86 Cb 0.29 -1.21 0.56 0.00 -1.71 0.00 0.00 66.02 63.95 2wmo s SER 86 CO 0.22 -0.30 1.83 -0.65 1.20 0.00 0.00 173.24 175.54 2wmo h PRO 87 N 7.00 0.93 -0.56 5.44 0.11 -1.85 0.47 132.00 143.55 2wmo h PRO 87 Ca -0.05 -0.06 -0.01 0.00 0.11 0.00 0.00 66.00 65.99 2wmo h PRO 87 Cb 0.94 -0.21 -0.03 0.00 0.11 0.00 0.00 31.00 31.82 2wmo h PRO 87 CO 0.53 0.61 0.30 0.66 -0.21 0.00 0.00 178.00 179.89 2wmo h SER 88 N 0.96 0.68 -0.12 -2.05 4.64 -1.94 -1.18 113.55 114.54 2wmo h SER 88 Ca 0.50 -0.05 0.03 0.00 -0.47 0.00 0.00 61.79 61.80 2wmo h SER 88 Cb 0.52 -0.17 -0.04 0.00 -0.31 0.00 0.00 62.40 62.40 2wmo h SER 88 CO -0.28 0.56 -0.10 0.28 -0.87 0.00 0.00 176.83 176.42 2wmo h SER 89 N 0.77 -0.33 0.48 4.97 0.02 -1.25 -1.86 113.55 116.36 2wmo h SER 89 Ca 0.20 0.07 -0.01 0.00 -0.84 0.00 0.00 61.79 61.20 2wmo h SER 89 Cb 0.03 0.16 -0.02 0.00 0.14 0.00 0.00 62.40 62.71 2wmo h SER 89 CO -0.03 -0.14 -0.51 0.15 -1.14 0.00 0.00 176.83 175.15 2wmo h PHE 90 N -0.12 -1.43 -0.98 3.45 3.57 -0.57 -2.56 116.94 118.30 2wmo h PHE 90 Ca 0.08 0.01 0.19 0.00 3.53 0.00 0.00 57.97 61.78 2wmo h PHE 90 Cb 0.24 0.56 -0.09 0.00 2.79 0.00 0.00 35.95 39.45 2wmo h PHE 90 CO -0.22 -0.68 0.61 0.93 -2.23 0.00 0.00 178.31 176.73 2wmo h GLU 91 N -1.00 0.65 0.00 1.11 3.07 -1.18 -0.03 114.58 117.20 2wmo h GLU 91 Ca -0.06 -0.04 -0.01 0.00 -0.50 0.00 0.00 59.36 58.75 2wmo h GLU 91 Cb 0.88 -0.15 -0.00 0.00 -0.84 0.00 0.00 28.75 28.64 2wmo h GLU 91 CO -0.08 0.43 -0.04 -0.91 -1.40 0.00 0.00 179.01 177.01 2wmo h ASN 92 N 0.67 0.00 0.10 1.42 4.21 -0.91 -0.28 115.58 120.79 2wmo h ASN 92 Ca 0.54 0.00 0.01 0.00 1.21 0.00 0.00 56.30 58.06 2wmo h ASN 92 Cb 0.97 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 38.14 2wmo h ASN 92 CO -0.31 0.04 -0.18 0.58 -1.29 0.00 0.00 177.43 176.27 2wmo h VAL 93 N 0.00 0.58 -0.07 2.81 2.07 -0.88 0.36 116.25 121.11 2wmo h VAL 93 Ca -0.00 0.00 -0.23 0.00 0.82 0.00 0.00 66.70 67.28 2wmo h VAL 93 Cb 0.13 0.58 0.01 0.00 -1.52 0.00 0.00 31.29 30.49 2wmo h VAL 93 CO 0.01 0.00 -0.88 0.11 0.02 0.00 0.00 177.57 176.82 2wmo h LYS 94 N -0.36 0.68 0.10 1.57 6.56 -1.45 -1.02 116.57 122.64 2wmo h LYS 94 Ca 0.03 -0.63 -0.25 0.00 -1.06 0.00 0.00 60.65 58.74 2wmo h LYS 94 Cb 0.37 0.15 0.02 0.00 -0.57 0.00 0.00 32.23 32.21 2wmo h LYS 94 CO -0.10 1.23 -1.04 0.93 -2.06 0.00 0.00 179.45 178.41 2wmo h GLU 95 N 0.43 0.53 0.00 3.15 4.39 -1.01 -3.40 114.58 118.67 2wmo h GLU 95 Ca -0.08 -0.70 -0.04 0.00 0.34 0.00 0.00 59.36 58.88 2wmo h GLU 95 Cb 1.52 0.23 -0.01 0.00 -0.10 0.00 0.00 28.75 30.39 2wmo h GLU 95 CO 0.17 1.30 -1.14 1.17 -1.16 0.00 0.00 179.01 179.36 2wmo n LYS 96 N -3.94 0.05 0.08 2.33 4.81 0.99 -4.81 118.16 117.68 2wmo n LYS 96 Ca -0.13 0.02 -0.04 0.00 -0.87 0.00 0.00 58.31 57.29 2wmo n LYS 96 Cb 0.89 -0.72 -0.02 0.00 0.02 0.00 0.00 35.03 35.20 2wmo n LYS 96 CO 0.00 0.00 0.00 -1.49 1.17 0.00 0.00 177.40 177.08 2wmo h TRP 97 N -0.06 -0.25 -0.76 5.64 4.06 -0.66 -1.57 115.95 122.35 2wmo h TRP 97 Ca -0.06 -0.01 0.01 0.00 2.06 0.00 0.00 58.89 60.89 2wmo h TRP 97 Cb 1.06 0.08 -0.04 0.00 -1.00 0.00 0.00 29.16 29.27 2wmo h TRP 97 CO -0.00 -0.15 0.50 -0.24 -3.56 0.00 0.00 178.44 174.99 2wmo h VAL 98 N -0.66 1.20 -0.60 1.49 3.04 -1.44 -1.33 116.25 117.95 2wmo h VAL 98 Ca -0.03 -0.36 0.12 0.00 -1.01 0.00 0.00 66.70 65.42 2wmo h VAL 98 Cb 0.20 0.07 -0.11 0.00 -2.01 0.00 0.00 31.29 29.45 2wmo h VAL 98 CO 0.04 0.19 -0.08 -0.65 -1.01 0.00 0.00 177.57 176.06 2wmo h PRO 99 N 1.04 0.04 -0.38 4.17 0.11 -1.76 0.24 132.00 135.45 2wmo h PRO 99 Ca 0.28 -0.00 -0.07 0.00 0.11 0.00 0.00 66.00 66.31 2wmo h PRO 99 Cb -0.12 -0.01 -0.02 0.00 0.11 0.00 0.00 31.00 30.97 2wmo h PRO 99 CO -0.06 0.03 -0.06 1.49 -0.21 0.00 0.00 178.00 179.19 2wmo h GLU 100 N 0.05 0.64 0.11 1.05 4.81 -0.23 -0.88 114.58 120.13 2wmo h GLU 100 Ca 0.30 -0.18 -0.29 0.00 -0.13 0.00 0.00 59.36 59.06 2wmo h GLU 100 Cb 0.47 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.77 2wmo h GLU 100 CO -0.57 0.71 -1.41 -0.84 -0.73 0.00 0.00 179.01 176.17 2wmo h ILE 101 N 0.60 1.29 -0.07 2.32 3.07 -0.73 -3.05 117.51 120.94 2wmo h ILE 101 Ca 0.11 -2.92 -0.08 0.00 1.55 0.00 0.00 64.86 63.52 2wmo h ILE 101 Cb 0.47 2.81 -0.01 0.00 -0.27 0.00 0.00 36.82 39.82 2wmo h ILE 101 CO 0.02 0.84 -0.33 0.71 -1.05 0.00 0.00 178.15 178.35 2wmo h THR 102 N 0.06 1.26 -0.44 0.16 1.35 -0.46 0.14 112.91 114.98 2wmo h THR 102 Ca -0.19 -1.23 -0.08 0.00 -0.55 0.00 0.00 66.41 64.35 2wmo h THR 102 Cb 1.98 1.57 -0.02 0.00 -1.73 0.00 0.00 68.15 69.96 2wmo h THR 102 CO 0.17 0.36 -0.06 0.45 -0.25 0.00 0.00 175.52 176.19 2wmo h HIS 103 N 0.12 0.83 0.04 4.73 3.86 -1.14 -2.97 115.15 120.62 2wmo h HIS 103 Ca 0.02 -0.13 -0.33 0.00 -1.16 0.00 0.00 60.37 58.76 2wmo h HIS 103 Cb 0.64 -0.22 -0.05 0.00 1.06 0.00 0.00 27.41 28.84 2wmo h HIS 103 CO 0.01 0.80 -1.97 0.72 0.86 0.00 0.00 177.93 178.35 2wmo n HIS 104 N -4.19 0.83 -3.46 2.45 8.25 -1.14 -4.71 115.22 113.25 2wmo n HIS 104 Ca 0.02 0.24 -0.26 0.00 -0.26 0.00 0.00 57.72 57.46 2wmo n HIS 104 Cb 0.33 -1.13 -0.09 0.00 1.12 0.00 0.00 29.99 30.22 2wmo n HIS 104 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2wmo h PRO 106 N 4.87 0.24 -0.08 0.00 0.11 -1.71 -2.50 132.00 132.93 2wmo h PRO 106 Ca 0.18 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.27 2wmo h PRO 106 Cb 0.82 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 31.87 2wmo h PRO 106 CO 0.57 0.16 0.00 1.17 -0.21 0.00 0.00 178.00 179.69 2wmo n LYS 107 N -5.18 2.64 -2.26 1.05 3.00 -1.26 -4.95 118.16 111.21 2wmo n LYS 107 Ca 0.24 -1.55 -0.42 0.00 -0.00 0.00 0.00 58.31 56.58 2wmo n LYS 107 Cb 0.75 -1.06 -0.03 0.00 0.00 0.00 0.00 35.03 34.68 2wmo n LYS 107 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.40 178.39 2wmo s THR 108 N -0.93 3.51 0.80 3.15 2.01 -0.94 -5.00 115.64 118.23 2wmo s THR 108 Ca 0.05 1.11 -0.11 0.00 0.31 0.00 0.00 61.69 63.06 2wmo s THR 108 Cb 0.03 -3.71 0.07 0.00 0.01 0.00 0.00 72.50 68.90 2wmo s THR 108 CO 0.04 0.10 1.11 -2.84 -0.69 0.00 0.00 174.62 172.34 2wmo s PRO 109 N 0.83 2.00 -0.08 4.92 0.02 -1.26 -4.87 135.00 136.56 2wmo s PRO 109 Ca 0.61 1.28 -0.18 0.00 0.02 0.00 0.00 61.00 62.73 2wmo s PRO 109 Cb -0.34 -1.86 0.04 0.00 0.02 0.00 0.00 34.50 32.35 2wmo s PRO 109 CO 0.31 -1.85 0.43 -0.59 -0.33 0.00 0.00 177.00 174.97 2wmo s PHE 110 N -2.80 -0.38 0.19 6.54 -0.12 -1.26 -1.32 117.98 118.84 2wmo s PHE 110 Ca 0.63 0.77 0.04 0.00 -0.05 0.00 0.00 56.93 58.32 2wmo s PHE 110 Cb -0.19 0.18 -0.03 0.00 -0.63 0.00 0.00 43.02 42.35 2wmo s PHE 110 CO 0.55 -0.37 0.32 -0.51 -0.05 0.00 0.00 175.22 175.16 2wmo s LEU 111 N -0.72 4.33 -0.22 -1.99 1.02 -0.57 -1.17 118.68 119.36 2wmo s LEU 111 Ca -0.08 0.12 -0.14 0.00 0.02 0.00 0.00 54.13 54.05 2wmo s LEU 111 Cb -0.04 -2.89 -0.04 0.00 0.02 0.00 0.00 46.19 43.25 2wmo s LEU 111 CO 0.04 -0.00 0.34 -0.22 0.02 0.00 0.00 176.35 176.52 2wmo s LEU 112 N -3.58 4.13 -0.18 1.79 2.96 -0.00 -1.97 118.68 121.84 2wmo s LEU 112 Ca 0.34 0.39 -0.00 0.00 -0.22 0.00 0.00 54.13 54.64 2wmo s LEU 112 Cb -0.10 -2.40 0.01 0.00 0.50 0.00 0.00 46.19 44.19 2wmo s LEU 112 CO 0.29 -0.05 -0.15 -0.69 -1.32 0.00 0.00 176.35 174.43 2wmo s VAL 113 N 1.32 2.54 -0.14 1.68 1.01 -0.11 -1.36 120.40 125.34 2wmo s VAL 113 Ca 0.16 -0.79 -0.13 0.00 0.00 0.00 0.00 61.98 61.22 2wmo s VAL 113 Cb -0.15 -2.09 -0.05 0.00 0.00 0.00 0.00 36.38 34.10 2wmo s VAL 113 CO 0.07 0.51 0.29 -0.83 0.00 0.00 0.00 175.10 175.14 2wmo s GLY 114 N 1.18 2.23 0.33 4.51 0.00 -0.35 -1.49 107.32 113.73 2wmo s GLY 114 Ca 0.02 -0.44 0.09 0.00 0.00 0.00 0.00 44.72 44.38 2wmo s GLY 114 CO -0.06 0.34 0.03 -0.51 0.00 0.00 0.00 173.10 172.89 2wmo s THR 115 N 0.19 2.79 -1.35 0.90 -4.23 0.72 -1.21 115.64 113.45 2wmo s THR 115 Ca 0.17 -1.92 -0.07 0.00 -1.18 0.00 0.00 61.69 58.69 2wmo s THR 115 Cb -0.13 -2.82 0.01 0.00 1.34 0.00 0.00 72.50 70.89 2wmo s THR 115 CO 0.05 -0.22 0.93 0.00 -0.54 0.00 0.00 174.62 174.83 2wmo n GLN 116 N -0.98 -6.51 0.32 3.99 6.02 -1.00 -1.88 117.38 117.35 2wmo n GLN 116 Ca -0.04 0.81 0.21 0.00 -0.01 0.00 0.00 57.00 57.96 2wmo n GLN 116 Cb 0.62 -5.66 1.03 0.00 1.02 0.00 0.00 30.24 27.25 2wmo n GLN 116 CO 0.00 0.00 0.00 -0.84 -1.01 0.00 0.00 177.06 175.21 2wmo h ILE 117 N -2.12 0.03 0.00 5.09 3.07 -1.80 -1.20 117.51 120.59 2wmo h ILE 117 Ca -0.52 -0.19 0.00 0.00 1.55 0.00 0.00 64.86 65.70 2wmo h ILE 117 Cb 1.35 1.18 0.00 0.00 -0.27 0.00 0.00 36.82 39.08 2wmo h ILE 117 CO 0.53 0.01 0.00 -2.24 -1.05 0.00 0.00 178.15 175.40 2wmo h ASP 118 N 0.00 0.00 0.11 2.16 2.03 -1.89 -2.04 116.42 116.78 2wmo h ASP 118 Ca -0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 2wmo h ASP 118 Cb 0.18 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.68 2wmo h ASP 118 CO 0.00 0.00 -0.07 0.18 -1.03 0.00 0.00 179.24 178.32 2wmo n LEU 119 N -3.07 0.99 0.27 0.15 4.77 -0.45 -3.27 117.00 116.40 2wmo n LEU 119 Ca -0.02 -0.28 0.14 0.00 -0.03 0.00 0.00 56.01 55.82 2wmo n LEU 119 Cb 0.15 -0.06 0.78 0.00 -2.33 0.00 0.00 43.42 41.95 2wmo n LEU 119 CO 0.22 0.17 1.00 0.03 -1.33 0.00 0.00 177.39 177.49 2wmo h ARG 120 N 1.44 0.00 -0.00 3.23 3.08 -1.53 -2.91 114.38 117.69 2wmo h ARG 120 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2wmo h ARG 120 Cb 0.40 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.45 2wmo h ARG 120 CO 0.00 0.09 -0.81 -0.25 -1.07 0.00 0.00 179.97 177.93 2wmo n ASP 121 N -3.55 1.16 -4.68 7.04 8.00 -1.20 -4.87 116.55 118.45 2wmo n ASP 121 Ca -0.02 -1.08 -0.42 0.00 0.71 0.00 0.00 54.79 53.98 2wmo n ASP 121 Cb 0.22 0.88 -0.03 0.00 -0.02 0.00 0.00 41.12 42.17 2wmo n ASP 121 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2wmo s ASP 122 N -2.72 6.79 0.13 -2.24 2.15 -1.10 -4.92 116.67 114.76 2wmo s ASP 122 Ca 0.10 2.12 -0.19 0.00 0.43 0.00 0.00 52.55 55.00 2wmo s ASP 122 Cb 0.15 -2.55 -0.02 0.00 -0.30 0.00 0.00 42.92 40.20 2wmo s ASP 122 CO 0.74 -0.80 1.74 -0.65 -0.17 0.00 0.00 175.17 176.03 2wmo h PRO 123 N 8.39 0.14 -0.39 4.34 0.11 -1.92 -1.81 132.00 140.85 2wmo h PRO 123 Ca -0.37 -0.01 -0.05 0.00 0.11 0.00 0.00 66.00 65.69 2wmo h PRO 123 Cb 1.17 -0.03 -0.02 0.00 0.11 0.00 0.00 31.00 32.23 2wmo h PRO 123 CO 0.93 0.09 0.05 1.03 -0.21 0.00 0.00 178.00 179.89 2wmo h SER 124 N 0.14 0.56 0.24 -2.05 0.87 -1.97 -1.36 113.55 109.99 2wmo h SER 124 Ca 0.10 -0.10 -0.01 0.00 -1.23 0.00 0.00 61.79 60.55 2wmo h SER 124 Cb 0.09 -0.15 0.00 0.00 -0.44 0.00 0.00 62.40 61.91 2wmo h SER 124 CO -0.12 0.59 -0.12 0.74 -0.53 0.00 0.00 176.83 177.39 2wmo h THR 125 N 0.58 0.75 -0.95 2.23 2.02 -1.83 -1.77 112.91 113.94 2wmo h THR 125 Ca 0.13 -0.83 0.28 0.00 0.77 0.00 0.00 66.41 66.76 2wmo h THR 125 Cb 0.29 1.16 -0.17 0.00 -1.74 0.00 0.00 68.15 67.70 2wmo h THR 125 CO 0.00 0.16 0.17 0.40 0.37 0.00 0.00 175.52 176.62 2wmo h ILE 126 N -0.80 0.12 -0.16 3.11 2.04 -1.17 -1.36 117.51 119.28 2wmo h ILE 126 Ca -0.03 -0.02 -0.11 0.00 1.00 0.00 0.00 64.86 65.69 2wmo h ILE 126 Cb 0.51 0.04 0.00 0.00 -0.74 0.00 0.00 36.82 36.63 2wmo h ILE 126 CO 0.06 0.01 -0.32 -0.33 0.00 0.00 0.00 178.15 177.57 2wmo h GLU 127 N 0.07 0.50 -0.78 2.37 5.08 -1.13 -1.03 114.58 119.66 2wmo h GLU 127 Ca 0.62 -0.32 0.11 0.00 -1.00 0.00 0.00 59.36 58.76 2wmo h GLU 127 Cb 1.33 0.04 -0.08 0.00 0.50 0.00 0.00 28.75 30.54 2wmo h GLU 127 CO -0.81 0.93 0.41 -0.22 -1.00 0.00 0.00 179.01 178.32 2wmo h LYS 128 N 0.13 0.64 -0.34 2.33 3.64 -0.62 -1.82 116.57 120.52 2wmo h LYS 128 Ca 0.00 -0.04 -0.14 0.00 -1.27 0.00 0.00 60.65 59.20 2wmo h LYS 128 Cb 0.92 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 32.58 2wmo h LYS 128 CO 0.07 0.42 -0.36 -0.07 -2.27 0.00 0.00 179.45 177.25 2wmo h LEU 129 N 0.66 0.83 -0.44 5.20 3.38 -1.08 -3.15 115.31 120.71 2wmo h LEU 129 Ca 0.40 -0.36 -0.00 0.00 0.09 0.00 0.00 57.88 58.00 2wmo h LEU 129 Cb 0.45 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.95 2wmo h LEU 129 CO -0.29 1.10 0.26 0.00 0.09 0.00 0.00 178.44 179.60 2wmo h ALA 130 N 0.94 0.56 0.00 1.53 0.00 -0.58 0.39 119.26 122.10 2wmo h ALA 130 Ca 0.06 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2wmo h ALA 130 Cb 0.91 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.52 2wmo h ALA 130 CO 0.08 0.07 0.05 0.36 0.00 0.00 0.00 179.25 179.81 2wmo n LYS 131 N -4.72 0.10 -0.14 0.00 0.00 -0.74 0.87 118.16 113.52 2wmo n LYS 131 Ca 0.01 0.59 0.04 0.00 -0.00 0.00 0.00 58.31 58.95 2wmo n LYS 131 Cb 0.06 -1.89 0.11 0.00 -0.00 0.00 0.00 35.03 33.32 2wmo n LYS 131 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.40 175.69 2wmo n ASN 132 N -2.05 2.69 -3.39 -5.58 4.05 -0.87 -4.99 115.26 105.12 2wmo n ASN 132 Ca -0.01 -2.22 -0.20 0.00 0.45 0.00 0.00 54.58 52.61 2wmo n ASN 132 Cb 0.08 -0.21 0.06 0.00 1.23 0.00 0.00 39.78 40.94 2wmo n ASN 132 CO 0.00 0.00 0.00 2.29 -3.05 0.00 0.00 177.26 176.50 2wmo n LYS 133 N -0.11 -1.85 -3.99 1.20 -0.00 0.25 -5.04 118.16 108.62 2wmo n LYS 133 Ca 0.09 0.77 -0.08 0.00 -0.00 0.00 0.00 58.31 59.09 2wmo n LYS 133 Cb 0.44 -5.24 -0.09 0.00 -0.00 0.00 0.00 35.03 30.15 2wmo n LYS 133 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.40 176.75 2wmo s GLN 134 N -4.84 0.75 0.06 -1.58 -0.21 0.13 -4.98 119.66 108.99 2wmo s GLN 134 Ca 0.44 -1.12 0.02 0.00 0.02 0.00 0.00 55.36 54.71 2wmo s GLN 134 Cb -0.09 0.27 -0.03 0.00 1.00 0.00 0.00 33.01 34.16 2wmo s GLN 134 CO 0.78 -0.20 -0.07 -1.59 -2.12 0.00 0.00 175.29 172.09 2wmo s LYS 135 N -3.91 0.65 0.28 2.91 0.00 -1.26 -3.30 119.74 115.12 2wmo s LYS 135 Ca 0.08 -1.00 -0.30 0.00 0.00 0.00 0.00 55.97 54.75 2wmo s LYS 135 Cb 0.06 -0.24 -0.12 0.00 0.00 0.00 0.00 37.83 37.53 2wmo s LYS 135 CO -0.09 0.02 1.52 -2.30 0.00 0.00 0.00 175.35 174.49 2wmo n PRO 136 N 0.83 2.47 -1.59 1.78 -0.02 -1.26 -4.89 135.00 132.32 2wmo n PRO 136 Ca -0.18 0.88 -0.46 0.00 -2.02 0.00 0.00 63.50 61.71 2wmo n PRO 136 Cb 0.57 -2.61 -0.03 0.00 -0.02 0.00 0.00 33.50 31.42 2wmo n PRO 136 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 2wmo n ILE 137 N 1.89 1.51 -3.87 4.25 2.08 0.11 -4.99 119.36 120.35 2wmo n ILE 137 Ca 0.09 -0.38 -0.25 0.00 0.56 0.00 0.00 62.75 62.77 2wmo n ILE 137 Cb 0.35 -0.97 -0.03 0.00 -0.75 0.00 0.00 39.64 38.25 2wmo n ILE 137 CO 0.00 0.00 0.00 0.42 0.56 0.00 0.00 176.55 177.53 2wmo s THR 138 N -0.66 5.27 0.40 1.39 -4.23 -1.26 -4.89 115.64 111.66 2wmo s THR 138 Ca 0.65 -0.70 0.15 0.00 -1.18 0.00 0.00 61.69 60.61 2wmo s THR 138 Cb -0.75 -3.78 0.37 0.00 1.34 0.00 0.00 72.50 69.67 2wmo s THR 138 CO 0.56 -0.20 1.84 -0.65 -0.54 0.00 0.00 174.62 175.63 2wmo h PRO 139 N 1.75 0.46 -0.17 3.99 0.11 -1.99 -1.60 132.00 134.56 2wmo h PRO 139 Ca -0.49 -0.03 -0.11 0.00 0.11 0.00 0.00 66.00 65.48 2wmo h PRO 139 Cb 1.21 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.21 2wmo h PRO 139 CO 0.66 0.31 -0.31 0.93 -0.21 0.00 0.00 178.00 179.37 2wmo h GLU 140 N 0.48 0.51 0.00 1.05 3.07 -1.99 0.20 114.58 117.90 2wmo h GLU 140 Ca 0.50 -0.32 -0.07 0.00 -0.50 0.00 0.00 59.36 58.96 2wmo h GLU 140 Cb 1.13 0.04 -0.01 0.00 -0.84 0.00 0.00 28.75 29.07 2wmo h GLU 140 CO -0.22 0.93 -0.34 0.00 -1.40 0.00 0.00 179.01 177.98 2wmo h THR 141 N 0.15 1.12 -0.15 1.13 1.03 -1.85 -1.48 112.91 112.87 2wmo h THR 141 Ca 0.01 -1.23 -0.15 0.00 -0.01 0.00 0.00 66.41 65.02 2wmo h THR 141 Cb 0.90 1.69 0.01 0.00 -1.07 0.00 0.00 68.15 69.68 2wmo h THR 141 CO 0.07 0.34 -0.51 0.00 -0.01 0.00 0.00 175.52 175.41 2wmo h ALA 142 N 1.66 0.26 -0.77 0.00 0.00 -1.11 -2.64 119.26 116.66 2wmo h ALA 142 Ca -0.00 -0.50 0.05 0.00 0.00 0.00 0.00 54.91 54.45 2wmo h ALA 142 Cb 0.66 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.37 2wmo h ALA 142 CO 0.04 0.45 0.47 0.93 0.00 0.00 0.00 179.25 181.14 2wmo h GLU 143 N 0.26 0.86 0.21 0.00 5.08 -0.27 -0.56 114.58 120.16 2wmo h GLU 143 Ca -0.02 -0.05 0.01 0.00 -1.00 0.00 0.00 59.36 58.30 2wmo h GLU 143 Cb 1.14 -0.19 -0.04 0.00 0.50 0.00 0.00 28.75 30.16 2wmo h GLU 143 CO 0.11 0.57 -0.44 -0.22 -1.00 0.00 0.00 179.01 178.02 2wmo h LYS 144 N 0.88 -0.71 -0.69 2.33 1.63 -1.25 -2.41 116.57 116.35 2wmo h LYS 144 Ca 0.33 0.05 0.14 0.00 -0.85 0.00 0.00 60.65 60.31 2wmo h LYS 144 Cb 0.12 0.16 -0.10 0.00 -0.60 0.00 0.00 32.23 31.81 2wmo h LYS 144 CO -0.15 -0.47 0.19 1.25 -3.45 0.00 0.00 179.45 176.81 2wmo h LEU 145 N -0.74 0.07 -0.12 5.20 6.46 -1.09 -1.45 115.31 123.64 2wmo h LEU 145 Ca -0.00 0.13 0.05 0.00 -0.12 0.00 0.00 57.88 57.93 2wmo h LEU 145 Cb 0.72 0.16 -0.06 0.00 -0.73 0.00 0.00 40.66 40.75 2wmo h LEU 145 CO -0.20 0.01 -0.26 0.00 -0.62 0.00 0.00 178.44 177.37 2wmo h ALA 146 N 1.55 -0.26 -0.13 1.25 0.00 -0.64 -0.12 119.26 120.92 2wmo h ALA 146 Ca 0.38 0.03 -0.18 0.00 0.00 0.00 0.00 54.91 55.14 2wmo h ALA 146 Cb 0.60 0.50 -0.00 0.00 0.00 0.00 0.00 17.79 18.88 2wmo h ALA 146 CO -0.45 -0.73 -0.66 0.07 0.00 0.00 0.00 179.25 177.49 2wmo h ARG 147 N -0.33 0.50 -0.38 0.00 0.11 -1.03 0.46 114.38 113.71 2wmo h ARG 147 Ca 0.10 -0.37 0.05 0.00 0.10 0.00 0.00 59.98 59.86 2wmo h ARG 147 Cb 0.48 0.06 -0.05 0.00 1.11 0.00 0.00 29.97 31.58 2wmo h ARG 147 CO -0.31 0.99 0.11 -0.44 0.10 0.00 0.00 179.97 180.41 2wmo h ASP 148 N 0.36 0.08 1.21 0.08 3.32 -1.03 -2.09 116.42 118.34 2wmo h ASP 148 Ca -0.02 0.05 0.00 0.00 0.02 0.00 0.00 57.03 57.08 2wmo h ASP 148 Cb 1.23 0.05 0.00 0.00 0.22 0.00 0.00 39.33 40.83 2wmo h ASP 148 CO 0.12 0.08 -0.18 0.18 -1.72 0.00 0.00 179.24 177.73 2wmo n LEU 149 N -5.05 0.65 -1.71 1.55 4.77 -0.08 -4.96 117.00 112.17 2wmo n LEU 149 Ca 0.02 0.45 -0.05 0.00 -0.03 0.00 0.00 56.01 56.40 2wmo n LEU 149 Cb 0.15 -0.31 0.03 0.00 -2.33 0.00 0.00 43.42 40.96 2wmo n LEU 149 CO 0.26 -0.11 0.03 2.29 -1.33 0.00 0.00 177.39 178.53 2wmo n LYS 150 N -2.07 -1.84 -3.32 3.23 -0.00 0.13 -5.05 118.16 109.24 2wmo n LYS 150 Ca 0.05 0.24 -0.32 0.00 -0.00 0.00 0.00 58.31 58.29 2wmo n LYS 150 Cb 0.41 -3.43 -0.05 0.00 -0.00 0.00 0.00 35.03 31.96 2wmo n LYS 150 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2wmo s ALA 151 N -3.10 3.50 0.23 0.58 0.00 0.40 -4.84 121.76 118.52 2wmo s ALA 151 Ca 0.01 -0.21 -0.08 0.00 0.00 0.00 0.00 51.96 51.67 2wmo s ALA 151 Cb -0.00 -2.52 0.36 0.00 0.00 0.00 0.00 23.12 20.96 2wmo s ALA 151 CO 0.21 0.43 1.69 0.28 0.00 0.00 0.00 175.76 178.36 2wmo h VAL 152 N 1.91 0.55 -2.41 0.00 2.07 -1.46 -3.42 116.25 113.48 2wmo h VAL 152 Ca -0.47 -0.08 0.22 0.00 0.82 0.00 0.00 66.70 67.19 2wmo h VAL 152 Cb 1.17 0.30 -0.04 0.00 -1.52 0.00 0.00 31.29 31.20 2wmo h VAL 152 CO 0.68 0.04 0.69 -1.59 0.02 0.00 0.00 177.57 177.41 2wmo s LYS 153 N -6.09 1.02 -0.15 1.57 -2.85 -1.26 -5.02 119.74 106.96 2wmo s LYS 153 Ca -0.13 -0.66 -0.05 0.00 -1.00 0.00 0.00 55.97 54.13 2wmo s LYS 153 Cb 0.20 0.28 -0.03 0.00 -2.06 0.00 0.00 37.83 36.22 2wmo s LYS 153 CO 0.75 -0.48 0.00 -0.47 0.10 0.00 0.00 175.35 175.25 2wmo s TYR 154 N -2.11 3.13 0.08 1.78 5.04 -1.26 -0.82 117.35 123.20 2wmo s TYR 154 Ca 0.24 -0.07 0.03 0.00 -2.44 0.00 0.00 57.07 54.84 2wmo s TYR 154 Cb -0.02 -1.96 -0.03 0.00 0.35 0.00 0.00 41.96 40.30 2wmo s TYR 154 CO 0.03 0.14 -0.09 0.14 -1.34 0.00 0.00 175.55 174.43 2wmo s VAL 155 N 0.08 0.84 0.05 3.14 -7.23 -0.47 -4.97 120.40 111.84 2wmo s VAL 155 Ca 0.02 -1.55 -0.02 0.00 -1.81 0.00 0.00 61.98 58.62 2wmo s VAL 155 Cb -0.13 -1.24 -0.03 0.00 0.56 0.00 0.00 36.38 35.54 2wmo s VAL 155 CO 0.02 -0.55 0.01 -1.83 -0.31 0.00 0.00 175.10 172.43 2wmo s GLU 156 N -2.64 0.60 0.31 4.82 -1.05 -1.26 -1.22 118.70 118.25 2wmo s GLU 156 Ca 0.03 -1.07 -0.19 0.00 -0.15 0.00 0.00 54.97 53.58 2wmo s GLU 156 Cb -0.03 0.21 0.03 0.00 -0.44 0.00 0.00 34.13 33.90 2wmo s GLU 156 CO -0.00 -0.12 0.75 0.00 0.95 0.00 0.00 175.26 176.84 2wmo s SER 158 N -2.98 2.05 0.39 0.00 0.15 0.78 -2.38 113.70 111.71 2wmo s SER 158 Ca 0.13 -0.31 0.13 0.00 0.70 0.00 0.00 55.95 56.60 2wmo s SER 158 Cb -0.06 -0.85 0.80 0.00 -1.71 0.00 0.00 66.02 64.21 2wmo s SER 158 CO 0.08 -0.06 1.88 0.00 1.20 0.00 0.00 173.24 176.34 2wmo h ALA 159 N 7.73 1.48 -0.19 5.45 0.00 -1.92 0.66 119.26 132.47 2wmo h ALA 159 Ca -0.31 -0.29 -0.21 0.00 0.00 0.00 0.00 54.91 54.10 2wmo h ALA 159 Cb 1.15 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 18.90 2wmo h ALA 159 CO 0.44 0.39 -0.71 1.25 0.00 0.00 0.00 179.25 180.62 2wmo h LEU 160 N 0.00 0.94 0.00 0.00 5.85 -1.95 -3.29 115.31 116.86 2wmo h LEU 160 Ca -0.00 -0.58 0.00 0.00 0.84 0.00 0.00 57.88 58.14 2wmo h LEU 160 Cb 0.56 -0.27 0.00 0.00 0.37 0.00 0.00 40.66 41.31 2wmo h LEU 160 CO 0.04 1.38 -0.81 0.35 -0.34 0.00 0.00 178.44 179.06 2wmo n THR 161 N -3.95 0.00 -1.08 1.05 -2.24 -1.23 -4.80 114.28 102.02 2wmo n THR 161 Ca -0.06 -0.19 -0.03 0.00 -2.27 0.00 0.00 64.05 61.50 2wmo n THR 161 Cb 0.71 0.88 -0.01 0.00 -2.10 0.00 0.00 70.33 69.81 2wmo n THR 161 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2wmo n GLN 162 N -1.43 -0.95 -2.38 -0.78 6.02 0.23 -4.98 117.38 113.10 2wmo n GLN 162 Ca 0.02 0.43 -0.42 0.00 -0.01 0.00 0.00 57.00 57.01 2wmo n GLN 162 Cb 0.24 -4.25 -0.03 0.00 1.02 0.00 0.00 30.24 27.23 2wmo n GLN 162 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 2wmo s LYS 163 N -1.54 4.38 0.00 -1.09 1.02 -1.16 -2.92 119.74 118.44 2wmo s LYS 163 Ca 0.00 1.81 0.00 0.00 0.02 0.00 0.00 55.97 57.80 2wmo s LYS 163 Cb 0.00 -3.41 0.00 0.00 -0.52 0.00 0.00 37.83 33.90 2wmo s LYS 163 CO 0.00 -0.36 0.00 0.41 -0.92 0.00 0.00 175.35 174.48 2wmo n GLY 164 N 3.33 2.56 0.17 -3.33 0.00 -1.26 -0.16 105.19 106.50 2wmo n GLY 164 Ca 0.10 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.01 2wmo n GLY 164 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2wmo h LEU 165 N 0.00 -0.37 -0.41 0.99 5.85 -1.79 -1.61 115.31 117.97 2wmo h LEU 165 Ca 0.00 0.05 0.01 0.00 0.84 0.00 0.00 57.88 58.79 2wmo h LEU 165 Cb 0.00 0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.16 2wmo h LEU 165 CO 0.00 -0.18 0.25 0.50 -0.34 0.00 0.00 178.44 178.67 2wmo h LYS 166 N -0.22 0.50 -1.00 1.25 3.64 -1.92 -2.74 116.57 116.09 2wmo h LYS 166 Ca 0.04 -0.03 0.04 0.00 -1.27 0.00 0.00 60.65 59.44 2wmo h LYS 166 Cb 0.27 -0.11 -0.06 0.00 -0.41 0.00 0.00 32.23 31.92 2wmo h LYS 166 CO -0.12 0.33 0.65 -0.97 -2.27 0.00 0.00 179.45 177.07 2wmo h ASN 167 N 0.52 1.08 -0.30 4.20 -0.00 -1.87 -2.38 115.58 116.83 2wmo h ASN 167 Ca 0.16 -0.01 0.04 0.00 -0.00 0.00 0.00 56.30 56.49 2wmo h ASN 167 Cb -0.02 -0.24 -0.04 0.00 -0.00 0.00 0.00 38.32 38.02 2wmo h ASN 167 CO -0.06 0.73 0.06 0.58 -0.00 0.00 0.00 177.43 178.74 2wmo h VAL 168 N 1.24 0.86 0.00 2.57 2.07 -0.98 -1.24 116.25 120.76 2wmo h VAL 168 Ca 0.40 -0.06 -0.06 0.00 0.82 0.00 0.00 66.70 67.80 2wmo h VAL 168 Cb 0.03 0.67 -0.01 0.00 -1.52 0.00 0.00 31.29 30.47 2wmo h VAL 168 CO -0.13 0.03 -0.44 -0.26 0.02 0.00 0.00 177.57 176.79 2wmo h PHE 169 N 0.17 0.00 0.08 1.57 0.04 -1.52 -1.77 116.94 115.52 2wmo h PHE 169 Ca 0.14 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.90 2wmo h PHE 169 Cb 0.15 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.30 2wmo h PHE 169 CO -0.17 0.28 -0.04 -0.44 -0.60 0.00 0.00 178.31 177.34 2wmo h ASP 170 N 0.00 -0.09 -0.52 2.17 3.32 -1.13 -2.34 116.42 117.82 2wmo h ASP 170 Ca -0.02 -0.12 -0.02 0.00 0.02 0.00 0.00 57.03 56.89 2wmo h ASP 170 Cb 1.23 0.02 -0.03 0.00 0.22 0.00 0.00 39.33 40.78 2wmo h ASP 170 CO 0.03 0.07 0.27 -0.33 -1.72 0.00 0.00 179.24 177.56 2wmo h GLU 171 N -0.25 0.78 -0.92 3.56 4.39 -1.10 -1.16 114.58 119.89 2wmo h GLU 171 Ca -0.01 -0.09 -0.01 0.00 0.34 0.00 0.00 59.36 59.59 2wmo h GLU 171 Cb 0.21 -0.15 -0.04 0.00 -0.10 0.00 0.00 28.75 28.66 2wmo h GLU 171 CO 0.02 0.60 0.54 0.00 -1.16 0.00 0.00 179.01 179.01 2wmo h ALA 172 N 1.52 1.23 -0.08 3.43 0.00 -1.14 0.28 119.26 124.51 2wmo h ALA 172 Ca 0.20 -0.11 -0.06 0.00 0.00 0.00 0.00 54.91 54.94 2wmo h ALA 172 Cb 0.07 -0.37 0.00 0.00 0.00 0.00 0.00 17.79 17.50 2wmo h ALA 172 CO -0.03 0.65 -0.18 0.82 0.00 0.00 0.00 179.25 180.51 2wmo h ILE 173 N 1.27 1.42 -0.59 0.00 2.04 -0.83 -1.32 117.51 119.48 2wmo h ILE 173 Ca 0.33 -1.52 0.11 0.00 1.00 0.00 0.00 64.86 64.77 2wmo h ILE 173 Cb -0.04 2.22 -0.08 0.00 -0.74 0.00 0.00 36.82 38.18 2wmo h ILE 173 CO -0.06 0.43 0.16 -0.07 0.00 0.00 0.00 178.15 178.61 2wmo h LEU 174 N -0.23 0.07 -0.83 1.44 3.38 -1.02 -1.99 115.31 116.13 2wmo h LEU 174 Ca -0.00 0.10 -0.06 0.00 0.09 0.00 0.00 57.88 58.00 2wmo h LEU 174 Cb 0.79 0.12 -0.03 0.00 0.09 0.00 0.00 40.66 41.63 2wmo h LEU 174 CO 0.04 0.05 0.15 0.00 0.09 0.00 0.00 178.44 178.77 2wmo h ALA 175 N 1.45 1.04 0.00 1.53 0.00 -0.35 -2.54 119.26 120.40 2wmo h ALA 175 Ca 0.31 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.98 2wmo h ALA 175 Cb 0.44 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.97 2wmo h ALA 175 CO -0.37 0.63 0.00 0.00 0.00 0.00 0.00 179.25 179.51 2wmo n ALA 176 N -2.46 2.30 0.85 0.00 0.00 -0.51 -4.88 120.51 115.81 2wmo n ALA 176 Ca 0.05 -0.13 0.10 0.00 0.00 0.00 0.00 53.44 53.46 2wmo n ALA 176 Cb 0.25 -1.40 0.08 0.00 0.00 0.00 0.00 19.45 18.39 2wmo n ALA 176 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78