#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2btl s MET 28 N 0.00 3.29 0.15 1.57 1.00 -1.26 -5.07 119.30 118.98 2btl s MET 28 Ca 0.00 -0.74 -0.34 0.00 0.00 0.00 0.00 55.69 54.61 2btl s MET 28 Cb 0.00 -3.50 -0.16 0.00 0.00 0.00 0.00 34.83 31.18 2btl s MET 28 CO 0.00 -0.41 1.31 0.43 0.00 0.00 0.00 175.02 176.36 2btl n SER 29 N 4.95 1.85 0.03 3.03 7.64 -1.26 -4.87 113.62 124.98 2btl n SER 29 Ca -0.14 1.13 0.11 0.00 1.01 0.00 0.00 58.87 60.98 2btl n SER 29 Cb 0.49 -1.26 -0.09 0.00 -1.01 0.00 0.00 64.21 62.34 2btl n SER 29 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2btl n SER 30 N 2.40 0.38 -3.49 6.43 7.64 -1.26 -5.02 113.62 120.71 2btl n SER 30 Ca 0.16 0.02 -0.31 0.00 1.01 0.00 0.00 58.87 59.75 2btl n SER 30 Cb 0.24 1.33 0.27 0.00 -1.01 0.00 0.00 64.21 65.03 2btl n SER 30 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2btl s GLY 31 N -4.28 1.52 0.77 0.23 0.00 -1.26 -5.06 107.32 99.25 2btl s GLY 31 Ca -0.03 -1.02 -0.12 0.00 0.00 0.00 0.00 44.72 43.54 2btl s GLY 31 CO 0.86 -0.04 1.15 -1.31 0.00 0.00 0.00 173.10 173.76 2btl s ASN 32 N -3.74 4.84 0.51 1.64 0.01 -1.26 -4.88 114.94 112.06 2btl s ASN 32 Ca 0.71 0.90 0.02 0.00 -0.71 0.00 0.00 52.86 53.77 2btl s ASN 32 Cb -0.09 -1.50 -0.01 0.00 0.41 0.00 0.00 41.25 40.07 2btl s ASN 32 CO 0.56 -1.70 0.05 0.00 -1.51 0.00 0.00 177.10 174.49 2btl s ALA 33 N -3.50 4.14 0.35 0.60 0.00 0.14 -4.87 121.76 118.63 2btl s ALA 33 Ca 0.61 -0.49 -0.27 0.00 0.00 0.00 0.00 51.96 51.81 2btl s ALA 33 Cb -0.11 -0.06 -0.09 0.00 0.00 0.00 0.00 23.12 22.86 2btl s ALA 33 CO 0.50 -0.07 1.17 0.45 0.00 0.00 0.00 175.76 177.81 2btl s SER 34 N -3.92 6.79 0.52 0.00 0.15 -1.26 -0.97 113.70 115.00 2btl s SER 34 Ca 0.09 2.38 0.28 0.00 0.70 0.00 0.00 55.95 59.40 2btl s SER 34 Cb 0.01 -2.62 1.39 0.00 -1.71 0.00 0.00 66.02 63.09 2btl s SER 34 CO 0.05 -0.49 2.03 -0.50 1.20 0.00 0.00 173.24 175.53 2btl h TRP 35 N 3.10 0.00 -1.96 3.44 4.06 -1.93 -3.44 115.95 119.22 2btl h TRP 35 Ca -0.48 0.00 -0.55 0.00 2.06 0.00 0.00 58.89 59.91 2btl h TRP 35 Cb 1.23 0.00 -0.09 0.00 -1.00 0.00 0.00 29.16 29.30 2btl h TRP 35 CO 0.56 0.13 -0.57 -0.06 -3.56 0.00 0.00 178.44 174.94 2btl s PHE 36 N -4.06 2.68 1.12 0.49 0.40 -1.26 0.53 117.98 117.88 2btl s PHE 36 Ca -0.02 -0.35 -0.13 0.00 -0.60 0.00 0.00 56.93 55.83 2btl s PHE 36 Cb 0.12 -1.52 0.26 0.00 0.51 0.00 0.00 43.02 42.39 2btl s PHE 36 CO 0.58 0.43 1.05 1.14 0.70 0.00 0.00 175.22 179.12 2btl s GLN 37 N -3.79 -0.53 0.52 0.44 -2.07 -0.89 -4.77 119.66 108.57 2btl s GLN 37 Ca 0.36 0.74 -0.11 0.00 -1.82 0.00 0.00 55.36 54.52 2btl s GLN 37 Cb -0.03 -1.61 -0.05 0.00 -1.09 0.00 0.00 33.01 30.23 2btl s GLN 37 CO 0.21 -3.43 0.92 0.00 -1.32 0.00 0.00 175.29 171.67 2btl s ALA 38 N -2.62 3.20 0.12 2.60 0.00 -1.26 -4.70 121.76 119.09 2btl s ALA 38 Ca 0.67 -0.11 0.02 0.00 0.00 0.00 0.00 51.96 52.54 2btl s ALA 38 Cb -0.23 -2.93 -0.04 0.00 0.00 0.00 0.00 23.12 19.93 2btl s ALA 38 CO 0.62 -0.36 0.25 0.96 0.00 0.00 0.00 175.76 177.23 2btl s ILE 39 N -2.78 5.27 -0.04 0.00 -4.36 -0.87 -4.67 121.20 113.74 2btl s ILE 39 Ca 0.54 -0.63 0.01 0.00 -0.26 0.00 0.00 60.65 60.31 2btl s ILE 39 Cb -0.10 -3.66 0.02 0.00 1.25 0.00 0.00 42.46 39.96 2btl s ILE 39 CO 0.41 -0.02 -0.04 -0.54 0.24 0.00 0.00 174.94 174.99 2btl s LYS 40 N -2.99 0.73 0.64 0.37 1.02 0.23 -1.47 119.74 118.29 2btl s LYS 40 Ca 0.34 -0.11 -0.15 0.00 0.02 0.00 0.00 55.97 56.07 2btl s LYS 40 Cb -0.12 -0.75 -0.01 0.00 -0.52 0.00 0.00 37.83 36.44 2btl s LYS 40 CO 0.28 -0.04 1.11 0.00 -0.92 0.00 0.00 175.35 175.77 2btl s ALA 41 N 0.73 2.52 -0.16 5.17 0.00 -0.58 -0.90 121.76 128.53 2btl s ALA 41 Ca -0.09 0.55 0.21 0.00 0.00 0.00 0.00 51.96 52.63 2btl s ALA 41 Cb -0.13 -3.31 -0.13 0.00 0.00 0.00 0.00 23.12 19.56 2btl s ALA 41 CO 0.00 -1.19 0.81 1.63 0.00 0.00 0.00 175.76 177.01 2btl n LYS 42 N -2.30 0.63 -4.18 0.00 5.02 -0.97 -4.69 118.16 111.66 2btl n LYS 42 Ca 0.10 0.04 -0.11 0.00 -2.02 0.00 0.00 58.31 56.32 2btl n LYS 42 Cb 0.52 -1.73 -0.10 0.00 -0.02 0.00 0.00 35.03 33.70 2btl n LYS 42 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 2btl s LYS 43 N -3.30 0.92 0.64 1.97 -0.14 -1.26 -4.93 119.74 113.63 2btl s LYS 43 Ca -0.03 -1.41 -0.15 0.00 -1.36 0.00 0.00 55.97 53.02 2btl s LYS 43 Cb 0.10 -0.13 -0.01 0.00 -1.68 0.00 0.00 37.83 36.12 2btl s LYS 43 CO 0.83 -0.10 1.10 -0.51 -0.76 0.00 0.00 175.35 175.91 2btl s LEU 44 N -3.08 3.44 -1.42 3.17 1.43 -1.26 -4.03 118.68 116.92 2btl s LEU 44 Ca 0.17 1.96 -0.06 0.00 -1.03 0.00 0.00 54.13 55.17 2btl s LEU 44 Cb 0.06 -4.55 0.04 0.00 0.03 0.00 0.00 46.19 41.77 2btl s LEU 44 CO -0.01 -1.48 0.78 -3.20 0.23 0.00 0.00 176.35 172.66 2btl n ASN 45 N -2.26 -2.54 -4.78 2.29 5.15 -1.26 -4.98 115.26 106.88 2btl n ASN 45 Ca 0.10 -0.83 -0.37 0.00 -0.60 0.00 0.00 54.58 52.87 2btl n ASN 45 Cb 0.52 -3.82 -0.06 0.00 -0.53 0.00 0.00 39.78 35.90 2btl n ASN 45 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 2btl s THR 46 N -3.55 4.06 1.12 -0.44 2.01 -1.26 -5.07 115.64 112.51 2btl s THR 46 Ca 0.29 1.71 -0.16 0.00 0.31 0.00 0.00 61.69 63.84 2btl s THR 46 Cb -0.14 -3.95 0.25 0.00 0.01 0.00 0.00 72.50 68.66 2btl s THR 46 CO 0.83 0.14 1.09 -2.16 -0.69 0.00 0.00 174.62 173.84 2btl s PRO 47 N -2.06 -0.53 0.76 4.92 0.04 -1.26 -5.00 135.00 131.87 2btl s PRO 47 Ca 0.51 0.26 -0.15 0.00 0.04 0.00 0.00 61.00 61.67 2btl s PRO 47 Cb -0.20 -1.65 0.05 0.00 0.04 0.00 0.00 34.50 32.74 2btl s PRO 47 CO 0.26 -3.32 1.21 -2.30 0.04 0.00 0.00 177.00 172.89 2btl n PRO 48 N -4.54 0.45 -2.26 0.56 -0.02 -1.26 -4.95 135.00 122.98 2btl n PRO 48 Ca 0.08 0.22 -0.41 0.00 -2.02 0.00 0.00 63.50 61.38 2btl n PRO 48 Cb 0.58 -2.45 -0.03 0.00 -0.02 0.00 0.00 33.50 31.58 2btl n PRO 48 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 2btl s PRO 49 N -3.87 4.46 0.02 0.52 0.04 -1.26 -5.04 135.00 129.87 2btl s PRO 49 Ca 0.76 2.05 -0.00 0.00 0.04 0.00 0.00 61.00 63.84 2btl s PRO 49 Cb -0.32 -3.13 -0.04 0.00 0.04 0.00 0.00 34.50 31.05 2btl s PRO 49 CO 0.48 -0.06 0.11 0.15 0.04 0.00 0.00 177.00 177.72 2btl s LYS 50 N -1.39 3.14 -0.05 4.56 1.02 -1.26 -5.00 119.74 120.77 2btl s LYS 50 Ca 0.49 -0.48 0.06 0.00 0.02 0.00 0.00 55.97 56.05 2btl s LYS 50 Cb -0.36 -2.90 -0.01 0.00 -0.52 0.00 0.00 37.83 34.04 2btl s LYS 50 CO 0.46 0.63 -0.22 -0.06 -0.92 0.00 0.00 175.35 175.24 2btl s PHE 51 N -1.29 2.19 0.06 3.18 0.40 -1.26 -1.15 117.98 120.11 2btl s PHE 51 Ca 0.26 -0.63 -0.30 0.00 -0.60 0.00 0.00 56.93 55.65 2btl s PHE 51 Cb -0.12 -1.44 -0.05 0.00 0.51 0.00 0.00 43.02 41.91 2btl s PHE 51 CO 0.18 -0.19 1.13 -2.00 0.70 0.00 0.00 175.22 175.03 2btl s GLU 52 N -0.12 4.49 2.06 0.44 2.56 -0.74 -4.81 118.70 122.58 2btl s GLU 52 Ca -0.03 1.67 0.00 0.00 0.00 0.00 0.00 54.97 56.62 2btl s GLU 52 Cb -0.13 -3.36 0.00 0.00 2.00 0.00 0.00 34.13 32.64 2btl s GLU 52 CO 0.03 -0.15 0.00 0.41 -0.56 0.00 0.00 175.26 174.99 2btl n GLY 53 N 2.96 -1.15 0.22 -1.50 0.00 -1.18 -2.13 105.19 102.40 2btl n GLY 53 Ca 0.07 -1.24 0.06 0.00 0.00 0.00 0.00 46.02 44.91 2btl n GLY 53 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2btl h SER 54 N 0.00 0.00 0.00 1.61 4.64 -1.85 -3.46 113.55 114.48 2btl h SER 54 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2btl h SER 54 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 2btl h SER 54 CO 0.00 0.25 0.00 0.61 -0.87 0.00 0.00 176.83 176.82 2btl n GLY 55 N -0.70 0.52 3.67 -0.77 0.00 -1.26 -3.72 105.19 102.92 2btl n GLY 55 Ca -0.02 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.61 2btl n GLY 55 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2btl s VAL 56 N -2.30 5.13 0.43 1.61 1.01 -1.26 -4.92 120.40 120.11 2btl s VAL 56 Ca 0.00 0.89 -0.25 0.00 0.00 0.00 0.00 61.98 62.62 2btl s VAL 56 Cb 0.00 -3.81 -0.10 0.00 0.00 0.00 0.00 36.38 32.47 2btl s VAL 56 CO 0.00 0.20 1.21 -2.65 0.00 0.00 0.00 175.10 173.86 2btl n PRO 57 N 4.66 1.75 -1.68 2.72 -0.02 -1.26 -4.90 135.00 136.27 2btl n PRO 57 Ca -0.06 0.62 -0.50 0.00 -2.02 0.00 0.00 63.50 61.55 2btl n PRO 57 Cb 0.51 -2.31 -0.05 0.00 -0.02 0.00 0.00 33.50 31.63 2btl n PRO 57 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 2btl n ASP 58 N 0.18 3.18 -3.20 2.55 10.43 -0.37 -4.94 116.55 124.37 2btl n ASP 58 Ca 0.08 1.00 0.00 0.00 2.57 0.00 0.00 54.79 58.44 2btl n ASP 58 Cb 0.40 -1.33 -0.02 0.00 1.84 0.00 0.00 41.12 42.02 2btl n ASP 58 CO 0.00 0.00 0.00 0.21 -1.07 0.00 0.00 177.20 176.34 2btl s ASN 59 N 3.64 -1.18 0.27 -2.24 3.84 -1.26 -4.78 114.94 113.24 2btl s ASN 59 Ca 0.93 -0.30 0.24 0.00 0.21 0.00 0.00 52.86 53.94 2btl s ASN 59 Cb -0.77 1.81 0.98 0.00 -0.55 0.00 0.00 41.25 42.72 2btl s ASN 59 CO 0.53 -0.26 1.73 -0.62 -2.79 0.00 0.00 177.10 175.69 2btl n GLU 60 N 5.02 0.21 -1.49 0.43 1.02 -1.26 -3.46 120.64 121.11 2btl n GLU 60 Ca 0.07 0.41 -0.27 0.00 -0.02 0.00 0.00 57.16 57.35 2btl n GLU 60 Cb 0.54 -1.89 -0.05 0.00 -0.02 0.00 0.00 31.44 30.01 2btl n GLU 60 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 2btl n ASN 61 N -2.29 6.49 -3.93 1.62 5.15 -1.26 -4.85 115.26 116.20 2btl n ASN 61 Ca 0.02 -3.22 -0.10 0.00 -0.60 0.00 0.00 54.58 50.69 2btl n ASN 61 Cb 0.25 -1.23 -0.10 0.00 -0.53 0.00 0.00 39.78 38.17 2btl n ASN 61 CO 0.00 0.00 0.00 -0.04 1.40 0.00 0.00 177.26 178.62 2btl s MET 62 N -1.76 0.43 0.27 1.20 -1.94 -1.22 -5.11 119.30 111.17 2btl s MET 62 Ca 0.59 -0.55 -0.30 0.00 -1.71 0.00 0.00 55.69 53.72 2btl s MET 62 Cb 0.38 0.17 -0.10 0.00 2.01 0.00 0.00 34.83 37.29 2btl s MET 62 CO -0.23 -0.09 1.40 0.15 -0.01 0.00 0.00 175.02 176.24 2btl s LYS 63 N -1.64 4.29 0.43 2.03 1.02 -1.26 -4.91 119.74 119.71 2btl s LYS 63 Ca -0.13 2.27 0.18 0.00 0.02 0.00 0.00 55.97 58.31 2btl s LYS 63 Cb -0.07 -3.10 1.11 0.00 -0.52 0.00 0.00 37.83 35.25 2btl s LYS 63 CO -0.01 -0.36 1.88 -1.35 -0.92 0.00 0.00 175.35 174.60 2btl h PRO 64 N 4.61 0.35 0.00 -1.68 0.11 -1.97 0.15 132.00 133.57 2btl h PRO 64 Ca -0.47 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 65.62 2btl h PRO 64 Cb 1.22 -0.08 -0.00 0.00 0.11 0.00 0.00 31.00 32.25 2btl h PRO 64 CO 0.74 0.23 -0.02 1.03 -0.21 0.00 0.00 178.00 179.78 2btl h SER 65 N 0.36 0.00 -0.59 -2.05 0.87 -1.91 -2.72 113.55 107.51 2btl h SER 65 Ca 0.43 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.99 2btl h SER 65 Cb 1.10 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.06 2btl h SER 65 CO -0.14 0.02 0.00 0.00 -0.53 0.00 0.00 176.83 176.18 2btl n GLN 66 N -3.57 3.16 -2.11 2.24 6.02 0.51 -1.15 117.38 122.48 2btl n GLN 66 Ca -0.03 -2.64 -0.42 0.00 -0.01 0.00 0.00 57.00 53.90 2btl n GLN 66 Cb 0.11 -1.65 0.00 0.00 1.02 0.00 0.00 30.24 29.72 2btl n GLN 66 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 2btl n GLN 67 N 1.07 3.18 -3.55 -1.09 1.13 -1.03 -4.87 117.38 112.22 2btl n GLN 67 Ca 0.22 -3.07 -0.17 0.00 -1.94 0.00 0.00 57.00 52.04 2btl n GLN 67 Cb 0.70 -3.18 -0.06 0.00 0.11 0.00 0.00 30.24 27.81 2btl n GLN 67 CO 0.00 0.00 0.00 -3.38 -1.44 0.00 0.00 177.06 172.24 2btl s HIS 68 N 2.27 -0.69 0.00 1.08 -3.43 -1.26 -1.18 115.29 112.07 2btl s HIS 68 Ca 0.45 1.34 0.00 0.00 -0.80 0.00 0.00 55.06 56.05 2btl s HIS 68 Cb 0.10 0.37 0.00 0.00 -1.43 0.00 0.00 32.58 31.62 2btl s HIS 68 CO -0.03 -0.54 0.00 0.41 -2.00 0.00 0.00 174.74 172.57 2btl n GLY 69 N 1.41 0.63 3.25 -1.38 0.00 -0.23 -2.89 105.19 105.98 2btl n GLY 69 Ca -0.18 -0.67 -0.19 0.00 0.00 0.00 0.00 46.02 44.98 2btl n GLY 69 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2btl s TYR 70 N -2.06 1.48 -0.13 1.61 -0.85 0.18 -0.51 117.35 117.07 2btl s TYR 70 Ca 0.00 -0.51 -0.07 0.00 -0.52 0.00 0.00 57.07 55.97 2btl s TYR 70 Cb 0.00 -0.78 -0.04 0.00 0.38 0.00 0.00 41.96 41.52 2btl s TYR 70 CO 0.00 0.16 0.11 -1.58 -1.52 0.00 0.00 175.55 172.73 2btl s TRP 71 N -1.86 3.48 -0.10 -3.49 0.52 -0.05 -0.88 118.94 116.57 2btl s TRP 71 Ca 0.08 0.42 0.02 0.00 0.02 0.00 0.00 56.10 56.63 2btl s TRP 71 Cb -0.06 -1.97 0.02 0.00 -1.15 0.00 0.00 33.47 30.30 2btl s TRP 71 CO 0.04 0.58 -0.13 0.50 0.02 0.00 0.00 176.95 177.95 2btl s ARG 72 N -0.67 1.99 0.37 4.98 3.52 -0.03 -1.89 118.95 127.23 2btl s ARG 72 Ca 0.13 -0.48 -0.27 0.00 -0.13 0.00 0.00 55.73 54.98 2btl s ARG 72 Cb -0.12 -1.72 -0.09 0.00 -1.56 0.00 0.00 34.95 31.46 2btl s ARG 72 CO 0.02 -0.07 1.25 0.50 -0.81 0.00 0.00 175.30 176.20 2btl s ARG 73 N 1.00 4.15 -0.22 5.12 3.52 -0.27 -1.62 118.95 130.62 2btl s ARG 73 Ca -0.07 2.07 -0.03 0.00 -0.13 0.00 0.00 55.73 57.56 2btl s ARG 73 Cb -0.15 -2.86 0.07 0.00 -1.56 0.00 0.00 34.95 30.46 2btl s ARG 73 CO -0.01 -0.31 0.08 -1.14 -0.81 0.00 0.00 175.30 173.10 2btl s GLN 74 N -2.07 0.42 0.12 5.12 0.74 0.28 -4.96 119.66 119.31 2btl s GLN 74 Ca 0.54 -0.44 -0.31 0.00 0.05 0.00 0.00 55.36 55.20 2btl s GLN 74 Cb -0.36 -1.84 -0.08 0.00 1.10 0.00 0.00 33.01 31.83 2btl s GLN 74 CO 0.47 -0.77 1.35 0.00 -0.55 0.00 0.00 175.29 175.79 2btl s ALA 75 N 1.95 3.55 0.24 1.58 0.00 -1.26 -0.84 121.76 126.97 2btl s ALA 75 Ca 0.03 1.08 0.11 0.00 0.00 0.00 0.00 51.96 53.17 2btl s ALA 75 Cb -0.17 -3.51 -0.05 0.00 0.00 0.00 0.00 23.12 19.40 2btl s ALA 75 CO -0.16 -0.57 -0.14 1.03 0.00 0.00 0.00 175.76 175.92 2btl s ARG 76 N 0.88 1.87 0.22 0.00 0.52 -1.25 -4.96 118.95 116.23 2btl s ARG 76 Ca 0.62 -1.54 0.00 0.00 -0.52 0.00 0.00 55.73 54.30 2btl s ARG 76 Cb -0.36 -1.95 -0.04 0.00 0.52 0.00 0.00 34.95 33.12 2btl s ARG 76 CO 0.31 0.37 0.15 -0.59 0.02 0.00 0.00 175.30 175.56 2btl s PHE 77 N -2.14 1.28 0.05 -0.53 -0.12 -1.26 -1.90 117.98 113.35 2btl s PHE 77 Ca 0.28 -1.39 -0.27 0.00 -0.05 0.00 0.00 56.93 55.49 2btl s PHE 77 Cb -0.07 -0.62 0.09 0.00 -0.63 0.00 0.00 43.02 41.79 2btl s PHE 77 CO 0.15 -0.63 0.75 -1.59 -0.05 0.00 0.00 175.22 173.85 2btl s LYS 78 N -4.05 1.02 0.42 1.99 -2.85 -0.17 -4.82 119.74 111.28 2btl s LYS 78 Ca 0.39 -0.29 -0.25 0.00 -1.00 0.00 0.00 55.97 54.82 2btl s LYS 78 Cb 0.06 0.47 -0.08 0.00 -2.06 0.00 0.00 37.83 36.23 2btl s LYS 78 CO 0.14 -0.43 1.26 -1.25 0.10 0.00 0.00 175.35 175.17 2btl s PRO 79 N -3.07 3.89 0.00 1.78 0.04 -1.26 0.95 135.00 137.33 2btl s PRO 79 Ca 0.01 2.04 0.00 0.00 0.04 0.00 0.00 61.00 63.10 2btl s PRO 79 Cb -0.01 -2.65 0.00 0.00 0.04 0.00 0.00 34.50 31.88 2btl s PRO 79 CO -0.08 -0.52 0.00 0.41 0.04 0.00 0.00 177.00 176.84 2btl n GLY 80 N 0.64 4.00 3.74 0.56 0.00 -0.71 -4.77 105.19 108.65 2btl n GLY 80 Ca 0.05 -0.44 -0.41 0.00 0.00 0.00 0.00 46.02 45.22 2btl n GLY 80 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2btl s LYS 81 N 3.68 4.21 0.00 1.61 1.02 -1.26 -4.10 119.74 124.89 2btl s LYS 81 Ca 0.00 2.41 0.00 0.00 0.02 0.00 0.00 55.97 58.40 2btl s LYS 81 Cb 0.00 -3.08 0.00 0.00 -0.52 0.00 0.00 37.83 34.23 2btl s LYS 81 CO 0.00 -0.51 0.00 0.41 -0.92 0.00 0.00 175.35 174.33 2btl n GLY 82 N 2.34 1.73 0.00 -3.33 0.00 -1.26 -4.59 105.19 100.08 2btl n GLY 82 Ca 0.08 0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.13 2btl n GLY 82 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2btl n GLY 83 N 0.00 2.71 3.91 -0.02 0.00 -1.26 -5.16 105.19 105.37 2btl n GLY 83 Ca 0.00 -0.24 -0.32 0.00 0.00 0.00 0.00 46.02 45.47 2btl n GLY 83 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2btl s ARG 84 N 2.09 3.48 -0.09 1.61 0.52 -1.26 -1.73 118.95 123.56 2btl s ARG 84 Ca 0.00 -0.34 -0.00 0.00 -0.52 0.00 0.00 55.73 54.87 2btl s ARG 84 Cb 0.00 -3.02 0.02 0.00 0.52 0.00 0.00 34.95 32.47 2btl s ARG 84 CO 0.00 0.60 -0.05 0.00 0.02 0.00 0.00 175.30 175.87 2btl n PRO 86 N 4.83 1.70 -4.29 0.00 -0.02 -1.26 -1.00 135.00 134.95 2btl n PRO 86 Ca -0.13 0.60 -0.23 0.00 -2.02 0.00 0.00 63.50 61.72 2btl n PRO 86 Cb 0.50 -2.16 -0.12 0.00 -0.02 0.00 0.00 33.50 31.70 2btl n PRO 86 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2btl s VAL 87 N -0.38 1.66 0.43 -1.45 0.11 -0.80 -4.86 120.40 115.10 2btl s VAL 87 Ca 0.66 -1.51 -0.23 0.00 -2.93 0.00 0.00 61.98 57.98 2btl s VAL 87 Cb -0.70 -1.51 -0.12 0.00 -1.53 0.00 0.00 36.38 32.52 2btl s VAL 87 CO 0.53 -0.07 0.67 -2.65 -3.33 0.00 0.00 175.10 170.26 2btl n PRO 88 N 1.13 0.75 -1.38 1.54 -0.02 -1.26 -3.94 135.00 131.82 2btl n PRO 88 Ca -0.20 0.27 -0.36 0.00 -2.02 0.00 0.00 63.50 61.20 2btl n PRO 88 Cb 0.54 -1.65 0.07 0.00 -0.02 0.00 0.00 33.50 32.44 2btl n PRO 88 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 2btl n ASP 89 N 1.01 -0.03 -4.54 2.55 8.00 -1.26 -4.52 116.55 117.75 2btl n ASP 89 Ca 0.11 0.67 -0.29 0.00 0.71 0.00 0.00 54.79 56.00 2btl n ASP 89 Cb 0.40 -1.34 -0.10 0.00 -0.02 0.00 0.00 41.12 40.06 2btl n ASP 89 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2btl s ALA 90 N -1.78 2.86 0.03 2.24 0.00 -0.02 -1.53 121.76 123.55 2btl s ALA 90 Ca 0.71 -1.36 0.07 0.00 0.00 0.00 0.00 51.96 51.38 2btl s ALA 90 Cb -0.36 -0.75 -0.02 0.00 0.00 0.00 0.00 23.12 21.98 2btl s ALA 90 CO 0.52 0.56 -0.21 -1.58 0.00 0.00 0.00 175.76 175.05 2btl s TRP 91 N -1.36 1.86 -0.01 0.00 0.52 -0.54 0.98 118.94 120.39 2btl s TRP 91 Ca 0.21 -0.37 0.04 0.00 0.02 0.00 0.00 56.10 56.00 2btl s TRP 91 Cb -0.10 -1.13 -0.01 0.00 -1.15 0.00 0.00 33.47 31.08 2btl s TRP 91 CO 0.13 0.06 -0.12 0.71 0.02 0.00 0.00 176.95 177.75 2btl s TYR 92 N -0.72 1.08 -0.17 -1.98 1.51 -0.64 -2.05 117.35 114.37 2btl s TYR 92 Ca 0.08 -0.20 -0.10 0.00 -1.01 0.00 0.00 57.07 55.83 2btl s TYR 92 Cb -0.09 -0.70 -0.05 0.00 -0.11 0.00 0.00 41.96 41.02 2btl s TYR 92 CO 0.01 -0.02 0.18 0.12 -1.11 0.00 0.00 175.55 174.73 2btl s PHE 93 N -0.28 3.46 -0.02 2.71 5.36 -1.26 -0.85 117.98 127.11 2btl s PHE 93 Ca 0.05 0.44 0.04 0.00 -0.96 0.00 0.00 56.93 56.50 2btl s PHE 93 Cb -0.05 -2.17 -0.01 0.00 -0.34 0.00 0.00 43.02 40.46 2btl s PHE 93 CO -0.00 0.37 -0.12 0.71 -1.46 0.00 0.00 175.22 174.71 2btl s TYR 94 N 0.10 1.16 0.40 10.12 2.02 -0.06 -4.41 117.35 126.69 2btl s TYR 94 Ca 0.12 -0.26 -0.26 0.00 -0.37 0.00 0.00 57.07 56.30 2btl s TYR 94 Cb -0.12 -0.77 -0.09 0.00 -0.40 0.00 0.00 41.96 40.58 2btl s TYR 94 CO 0.01 -0.06 1.35 0.71 -1.57 0.00 0.00 175.55 175.99 2btl s TYR 95 N -0.11 2.73 0.21 2.71 1.51 -1.26 -0.65 117.35 122.49 2btl s TYR 95 Ca 0.01 1.35 -0.31 0.00 -1.01 0.00 0.00 57.07 57.11 2btl s TYR 95 Cb -0.07 -3.77 -0.15 0.00 -0.11 0.00 0.00 41.96 37.86 2btl s TYR 95 CO 0.00 -2.36 1.13 2.41 -1.11 0.00 0.00 175.55 175.62 2btl n THR 96 N 0.17 1.21 -0.81 -0.71 -1.04 -1.14 -1.68 114.28 110.29 2btl n THR 96 Ca 0.03 -0.30 0.00 0.00 -2.04 0.00 0.00 64.05 61.74 2btl n THR 96 Cb 0.42 -0.92 0.00 0.00 -1.82 0.00 0.00 70.33 68.01 2btl n THR 96 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2btl n GLY 97 N 1.82 0.64 3.30 3.41 0.00 -1.25 -4.63 105.19 108.47 2btl n GLY 97 Ca 0.13 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.99 2btl n GLY 97 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2btl s THR 98 N -2.22 1.03 0.00 2.61 -4.23 -0.67 -4.75 115.64 107.41 2btl s THR 98 Ca 0.00 -2.04 0.00 0.00 -1.18 0.00 0.00 61.69 58.47 2btl s THR 98 Cb 0.00 -2.20 0.00 0.00 1.34 0.00 0.00 72.50 71.64 2btl s THR 98 CO 0.00 -0.44 0.00 0.61 -0.54 0.00 0.00 174.62 174.25 2btl n GLY 99 N -0.35 -2.02 0.37 3.99 0.00 -1.26 -3.33 105.19 102.59 2btl n GLY 99 Ca -0.06 -1.40 0.13 0.00 0.00 0.00 0.00 46.02 44.69 2btl n GLY 99 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2btl h PRO 100 N 0.00 0.48 -0.93 1.61 0.11 -2.00 -1.56 132.00 129.70 2btl h PRO 100 Ca 0.00 -0.03 -0.62 0.00 0.11 0.00 0.00 66.00 65.46 2btl h PRO 100 Cb 0.01 -0.11 -0.31 0.00 0.11 0.00 0.00 31.00 30.70 2btl h PRO 100 CO 0.00 0.31 0.56 0.00 -0.21 0.00 0.00 178.00 178.66 2btl n ALA 101 N -2.50 5.98 0.02 -0.75 0.00 -1.26 -4.72 120.51 117.29 2btl n ALA 101 Ca 0.13 -3.45 0.09 0.00 0.00 0.00 0.00 53.44 50.21 2btl n ALA 101 Cb 0.45 -1.48 0.52 0.00 0.00 0.00 0.00 19.45 18.94 2btl n ALA 101 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2btl h ALA 102 N 1.88 1.96 0.00 0.00 0.00 -1.28 -2.33 119.26 119.49 2btl h ALA 102 Ca 0.56 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.46 2btl h ALA 102 Cb 1.18 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.89 2btl h ALA 102 CO 1.37 -0.03 -0.09 -0.25 0.00 0.00 0.00 179.25 180.24 2btl n ASP 103 N -4.48 0.13 -4.77 0.00 9.92 -1.26 -3.92 116.55 112.17 2btl n ASP 103 Ca 0.05 0.37 -0.38 0.00 -0.53 0.00 0.00 54.79 54.30 2btl n ASP 103 Cb 0.23 -0.38 -0.05 0.00 -0.64 0.00 0.00 41.12 40.29 2btl n ASP 103 CO 0.00 0.00 0.00 -0.32 0.13 0.00 0.00 177.20 177.01 2btl s MET 104 N -3.01 4.49 0.21 -1.24 1.75 -0.88 -5.07 119.30 115.55 2btl s MET 104 Ca 0.13 1.47 -0.04 0.00 -1.25 0.00 0.00 55.69 56.00 2btl s MET 104 Cb 0.18 -2.82 -0.05 0.00 2.84 0.00 0.00 34.83 34.98 2btl s MET 104 CO 0.56 0.16 0.45 -0.80 -0.65 0.00 0.00 175.02 174.75 2btl s ASN 105 N -1.45 6.47 0.04 1.11 0.02 -1.26 -4.45 114.94 115.42 2btl s ASN 105 Ca 0.51 0.62 -0.37 0.00 -1.02 0.00 0.00 52.86 52.60 2btl s ASN 105 Cb -0.22 -2.10 -0.16 0.00 0.02 0.00 0.00 41.25 38.78 2btl s ASN 105 CO 0.28 -0.05 1.41 1.87 0.02 0.00 0.00 177.10 180.63 2btl n TRP 106 N -0.39 1.62 0.00 2.20 -0.00 -1.26 -1.87 117.44 117.74 2btl n TRP 106 Ca -0.02 0.60 0.00 0.00 -0.00 0.00 0.00 57.50 58.08 2btl n TRP 106 Cb 0.53 -2.36 0.00 0.00 -0.00 0.00 0.00 31.31 29.48 2btl n TRP 106 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 2btl n GLY 107 N 2.79 1.93 3.68 5.87 0.00 -1.26 -5.04 105.19 113.16 2btl n GLY 107 Ca 0.19 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.76 2btl n GLY 107 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2btl n ASP 108 N 0.00 3.06 -4.69 1.61 8.00 -0.78 -4.94 116.55 118.80 2btl n ASP 108 Ca 0.00 1.11 -0.41 0.00 0.71 0.00 0.00 54.79 56.20 2btl n ASP 108 Cb 0.00 -1.44 -0.04 0.00 -0.02 0.00 0.00 41.12 39.61 2btl n ASP 108 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 2btl s THR 109 N 0.54 4.96 -0.27 -3.53 -1.32 -1.26 -4.98 115.64 109.78 2btl s THR 109 Ca 0.74 1.54 -0.18 0.00 -1.21 0.00 0.00 61.69 62.58 2btl s THR 109 Cb -0.65 -4.09 0.08 0.00 -1.51 0.00 0.00 72.50 66.32 2btl s THR 109 CO 0.42 0.13 0.68 -1.58 -2.21 0.00 0.00 174.62 172.07 2btl s GLN 110 N 1.53 0.73 0.22 7.08 2.00 -1.26 -5.11 119.66 124.84 2btl s GLN 110 Ca 0.38 1.15 -0.32 0.00 -2.00 0.00 0.00 55.36 54.57 2btl s GLN 110 Cb -0.17 0.20 -0.12 0.00 0.80 0.00 0.00 33.01 33.71 2btl s GLN 110 CO 0.15 -0.14 1.65 -0.25 -0.50 0.00 0.00 175.29 176.21 2btl n ASP 111 N 3.92 3.70 0.00 6.67 8.00 -1.26 -1.79 116.55 135.79 2btl n ASP 111 Ca -0.19 1.09 0.00 0.00 0.71 0.00 0.00 54.79 56.40 2btl n ASP 111 Cb 0.58 -1.54 0.00 0.00 -0.02 0.00 0.00 41.12 40.14 2btl n ASP 111 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2btl n GLY 112 N 3.39 0.53 2.93 0.44 0.00 -1.26 -4.97 105.19 106.25 2btl n GLY 112 Ca 0.15 -0.50 -0.24 0.00 0.00 0.00 0.00 46.02 45.42 2btl n GLY 112 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2btl s ILE 113 N -2.00 0.90 -0.05 -0.61 -1.09 -0.74 -1.12 121.20 116.49 2btl s ILE 113 Ca 0.00 -0.28 0.04 0.00 -2.23 0.00 0.00 60.65 58.18 2btl s ILE 113 Cb 0.00 -0.89 0.00 0.00 -1.58 0.00 0.00 42.46 39.99 2btl s ILE 113 CO 0.00 0.32 -0.16 0.68 -1.23 0.00 0.00 174.94 174.56 2btl s VAL 114 N 1.22 1.37 -0.09 2.92 -7.23 -0.79 -4.60 120.40 113.21 2btl s VAL 114 Ca -0.05 -0.65 -0.11 0.00 -1.81 0.00 0.00 61.98 59.36 2btl s VAL 114 Cb -0.14 -1.20 -0.05 0.00 0.56 0.00 0.00 36.38 35.56 2btl s VAL 114 CO -0.02 0.40 0.26 0.26 -0.31 0.00 0.00 175.10 175.69 2btl s TRP 115 N 0.27 3.61 0.06 2.82 0.52 -1.26 -0.87 118.94 124.10 2btl s TRP 115 Ca -0.09 0.70 0.05 0.00 0.02 0.00 0.00 56.10 56.78 2btl s TRP 115 Cb -0.13 -2.14 -0.03 0.00 -1.15 0.00 0.00 33.47 30.02 2btl s TRP 115 CO 0.03 0.60 -0.14 -1.64 0.02 0.00 0.00 176.95 175.82 2btl s MET 116 N -0.73 0.84 -0.21 4.98 -1.94 0.33 -5.00 119.30 117.57 2btl s MET 116 Ca 0.18 -0.90 -0.18 0.00 -1.71 0.00 0.00 55.69 53.08 2btl s MET 116 Cb -0.14 -0.84 0.06 0.00 2.01 0.00 0.00 34.83 35.92 2btl s MET 116 CO 0.07 0.19 0.55 0.00 -0.01 0.00 0.00 175.02 175.82 2btl s ALA 117 N -1.17 -1.38 0.36 3.03 0.00 -1.24 -1.07 121.76 120.28 2btl s ALA 117 Ca -0.01 1.64 -0.03 0.00 0.00 0.00 0.00 51.96 53.56 2btl s ALA 117 Cb -0.09 -0.96 -0.04 0.00 0.00 0.00 0.00 23.12 22.03 2btl s ALA 117 CO 0.02 -0.27 0.61 0.00 0.00 0.00 0.00 175.76 176.11 2btl s ALA 118 N 0.56 3.60 0.11 0.00 0.00 -0.33 -4.74 121.76 120.96 2btl s ALA 118 Ca -0.02 -0.70 -0.35 0.00 0.00 0.00 0.00 51.96 50.88 2btl s ALA 118 Cb -0.05 -2.28 -0.15 0.00 0.00 0.00 0.00 23.12 20.64 2btl s ALA 118 CO -0.03 -0.01 1.47 1.17 0.00 0.00 0.00 175.76 178.36 2btl n LYS 119 N -1.62 1.64 0.00 0.00 4.81 -1.26 -1.17 118.16 120.56 2btl n LYS 119 Ca -0.03 0.59 0.00 0.00 -0.87 0.00 0.00 58.31 58.01 2btl n LYS 119 Cb 0.55 -2.30 0.00 0.00 0.02 0.00 0.00 35.03 33.30 2btl n LYS 119 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2btl n GLY 120 N 3.02 0.43 3.76 3.14 0.00 -1.26 -4.99 105.19 109.30 2btl n GLY 120 Ca 0.18 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.83 2btl n GLY 120 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2btl s ALA 121 N -2.13 2.86 -0.33 4.61 0.00 -0.32 -4.03 121.76 122.42 2btl s ALA 121 Ca 0.00 1.06 0.04 0.00 0.00 0.00 0.00 51.96 53.06 2btl s ALA 121 Cb 0.00 -3.45 0.10 0.00 0.00 0.00 0.00 23.12 19.77 2btl s ALA 121 CO 0.00 -0.95 0.04 0.34 0.00 0.00 0.00 175.76 175.19 2btl s ASP 122 N -1.28 4.72 0.00 0.00 3.68 -0.30 -4.99 116.67 118.50 2btl s ASP 122 Ca 0.68 -2.07 0.19 0.00 2.13 0.00 0.00 52.55 53.48 2btl s ASP 122 Cb -0.32 -1.60 1.04 0.00 -1.45 0.00 0.00 42.92 40.59 2btl s ASP 122 CO 0.38 -0.36 1.56 0.35 0.13 0.00 0.00 175.17 177.22 2btl n THR 123 N 4.28 0.23 0.16 1.71 -2.24 -1.26 -0.41 114.28 116.75 2btl n THR 123 Ca 0.02 0.06 0.06 0.00 -2.27 0.00 0.00 64.05 61.92 2btl n THR 123 Cb 0.42 -0.75 0.06 0.00 -2.10 0.00 0.00 70.33 67.96 2btl n THR 123 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 2btl h LYS 124 N 0.00 0.00 -7.04 -0.78 1.57 -1.94 -3.41 116.57 104.96 2btl h LYS 124 Ca 0.00 0.00 -0.52 0.00 -1.87 0.00 0.00 60.65 58.26 2btl h LYS 124 Cb 0.09 0.00 0.10 0.00 0.08 0.00 0.00 32.23 32.50 2btl h LYS 124 CO 0.00 0.32 0.51 -1.54 -0.57 0.00 0.00 179.45 178.17 2btl s SER 125 N -6.32 5.65 -0.11 0.86 1.04 0.45 -5.04 113.70 110.23 2btl s SER 125 Ca 0.05 2.44 0.02 0.00 0.48 0.00 0.00 55.95 58.94 2btl s SER 125 Cb 0.07 -2.61 0.01 0.00 0.10 0.00 0.00 66.02 63.59 2btl s SER 125 CO 0.73 -1.28 -0.16 -0.13 0.98 0.00 0.00 173.24 173.37 2btl s ARG 126 N -2.95 2.32 0.76 4.02 1.81 -1.26 -4.94 118.95 118.71 2btl s ARG 126 Ca 0.70 -0.60 -0.06 0.00 -1.72 0.00 0.00 55.73 54.04 2btl s ARG 126 Cb -0.32 -1.93 0.11 0.00 -0.45 0.00 0.00 34.95 32.37 2btl s ARG 126 CO 0.37 -0.02 1.06 -1.54 -0.68 0.00 0.00 175.30 174.49 2btl s SER 127 N 0.87 4.29 0.00 0.23 1.04 -1.26 -5.01 113.70 113.85 2btl s SER 127 Ca -0.09 0.08 0.23 0.00 0.48 0.00 0.00 55.95 56.65 2btl s SER 127 Cb -0.15 -0.51 0.49 0.00 0.10 0.00 0.00 66.02 65.94 2btl s SER 127 CO 0.00 -1.92 1.43 0.59 0.98 0.00 0.00 173.24 174.32 2btl n ASN 128 N -3.04 3.30 0.22 7.02 3.02 -1.26 -4.61 115.26 119.91 2btl n ASN 128 Ca 0.12 -1.97 0.11 0.00 -0.03 0.00 0.00 54.58 52.82 2btl n ASN 128 Cb 0.60 -0.26 0.69 0.00 -0.61 0.00 0.00 39.78 40.20 2btl n ASN 128 CO 0.00 0.00 0.00 1.56 -2.62 0.00 0.00 177.26 176.20 2btl h GLN 129 N 4.17 0.00 0.00 3.52 1.08 -1.99 -3.47 115.11 118.42 2btl h GLN 129 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 2btl h GLN 129 Cb 0.92 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.35 2btl h GLN 129 CO 0.00 0.00 0.00 0.41 -0.95 0.00 0.00 178.83 178.29 2btl n GLY 130 N -1.52 1.21 3.78 3.46 0.00 -1.26 -4.81 105.19 106.04 2btl n GLY 130 Ca -0.01 -0.53 -0.30 0.00 0.00 0.00 0.00 46.02 45.18 2btl n GLY 130 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2btl s THR 131 N 0.00 1.42 -0.12 2.61 -4.23 -1.26 -4.86 115.64 109.19 2btl s THR 131 Ca 0.00 -1.86 -0.18 0.00 -1.18 0.00 0.00 61.69 58.47 2btl s THR 131 Cb 0.00 -2.28 -0.04 0.00 1.34 0.00 0.00 72.50 71.52 2btl s THR 131 CO 0.00 0.00 0.46 -0.60 -0.54 0.00 0.00 174.62 173.94 2btl s ARG 132 N -3.96 4.33 -0.44 3.99 3.52 -0.14 -4.86 118.95 121.39 2btl s ARG 132 Ca 0.17 0.42 -0.25 0.00 -0.13 0.00 0.00 55.73 55.94 2btl s ARG 132 Cb 0.01 -3.44 0.02 0.00 -1.56 0.00 0.00 34.95 29.99 2btl s ARG 132 CO 0.10 0.16 0.89 0.34 -0.81 0.00 0.00 175.30 175.98 2btl s ASP 133 N 0.63 6.51 0.51 -2.12 3.68 -1.26 0.24 116.67 124.86 2btl s ASP 133 Ca 0.25 0.15 0.21 0.00 2.13 0.00 0.00 52.55 55.30 2btl s ASP 133 Cb -0.15 -2.44 1.34 0.00 -1.45 0.00 0.00 42.92 40.22 2btl s ASP 133 CO 0.10 -0.98 2.09 -0.65 0.13 0.00 0.00 175.17 175.86 2btl h PRO 134 N 8.95 0.00 0.00 4.34 0.11 -1.90 -1.51 132.00 141.99 2btl h PRO 134 Ca -0.24 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.87 2btl h PRO 134 Cb 1.08 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.19 2btl h PRO 134 CO 1.00 0.10 0.00 -0.44 -0.21 0.00 0.00 178.00 178.45 2btl h ASP 135 N 0.00 0.00 0.00 -2.05 3.32 -1.99 -3.37 116.42 112.33 2btl h ASP 135 Ca -0.00 0.00 -0.30 0.00 0.02 0.00 0.00 57.03 56.75 2btl h ASP 135 Cb 0.21 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 39.71 2btl h ASP 135 CO 0.01 0.00 -2.01 0.29 -1.72 0.00 0.00 179.24 175.81 2btl n LYS 136 N -2.82 0.40 -5.05 3.56 5.02 -0.62 -5.03 118.16 113.62 2btl n LYS 136 Ca 0.02 0.15 -0.31 0.00 -2.02 0.00 0.00 58.31 56.15 2btl n LYS 136 Cb 0.33 -1.20 -0.15 0.00 -0.02 0.00 0.00 35.03 34.00 2btl n LYS 136 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 2btl s PHE 137 N -2.34 2.46 0.66 2.13 0.40 -0.91 -5.10 117.98 115.29 2btl s PHE 137 Ca -0.25 -0.34 -0.11 0.00 -0.60 0.00 0.00 56.93 55.63 2btl s PHE 137 Cb 0.09 -1.51 -0.01 0.00 0.51 0.00 0.00 43.02 42.09 2btl s PHE 137 CO 0.34 0.08 1.05 -0.51 0.70 0.00 0.00 175.22 176.88 2btl s ASP 138 N -0.85 5.76 0.45 1.36 -0.00 -1.26 -4.53 116.67 117.60 2btl s ASP 138 Ca 0.11 1.49 -0.23 0.00 -0.00 0.00 0.00 52.55 53.93 2btl s ASP 138 Cb -0.10 -2.44 -0.08 0.00 -0.00 0.00 0.00 42.92 40.30 2btl s ASP 138 CO 0.01 -1.18 1.12 0.00 -0.00 0.00 0.00 175.17 175.12 2btl s GLN 139 N -5.13 3.83 0.36 8.23 -2.07 -1.26 -5.02 119.66 118.60 2btl s GLN 139 Ca 0.57 1.65 -0.26 0.00 -1.82 0.00 0.00 55.36 55.50 2btl s GLN 139 Cb -0.12 -2.37 -0.09 0.00 -1.09 0.00 0.00 33.01 29.33 2btl s GLN 139 CO 0.54 -0.46 1.03 0.71 -1.32 0.00 0.00 175.29 175.80 2btl s TYR 140 N -1.64 3.43 0.39 9.60 4.12 0.19 -4.84 117.35 128.60 2btl s TYR 140 Ca 0.63 1.69 -0.27 0.00 0.02 0.00 0.00 57.07 59.14 2btl s TYR 140 Cb -0.25 -3.11 -0.09 0.00 -1.52 0.00 0.00 41.96 36.98 2btl s TYR 140 CO 0.31 -0.41 1.36 -2.14 0.02 0.00 0.00 175.55 174.68 2btl s PRO 141 N -2.18 4.06 -0.10 -1.71 0.02 -1.26 -2.11 135.00 131.72 2btl s PRO 141 Ca 0.53 2.29 -0.21 0.00 0.02 0.00 0.00 61.00 63.63 2btl s PRO 141 Cb -0.23 -2.86 -0.04 0.00 0.02 0.00 0.00 34.50 31.39 2btl s PRO 141 CO 0.29 -0.47 0.59 -0.51 -0.33 0.00 0.00 177.00 176.58 2btl s LEU 142 N -2.24 4.29 0.02 -5.54 1.43 -1.26 -4.89 118.68 110.49 2btl s LEU 142 Ca 0.55 0.99 0.01 0.00 -1.03 0.00 0.00 54.13 54.64 2btl s LEU 142 Cb -0.41 -2.88 -0.02 0.00 0.03 0.00 0.00 46.19 42.91 2btl s LEU 142 CO 0.54 -0.07 -0.04 -0.13 0.23 0.00 0.00 176.35 176.88 2btl s ARG 143 N 0.78 0.32 -0.39 1.70 1.81 -1.26 -5.03 118.95 116.88 2btl s ARG 143 Ca 0.31 -0.54 0.01 0.00 -1.72 0.00 0.00 55.73 53.79 2btl s ARG 143 Cb -0.16 -0.01 0.14 0.00 -0.45 0.00 0.00 34.95 34.47 2btl s ARG 143 CO 0.14 -0.02 0.23 -0.06 -0.68 0.00 0.00 175.30 174.91 2btl s PHE 144 N -1.19 1.23 0.31 -0.53 0.40 -1.26 -1.24 117.98 115.69 2btl s PHE 144 Ca -0.12 -1.96 0.34 0.00 -0.60 0.00 0.00 56.93 54.58 2btl s PHE 144 Cb -0.08 -1.30 1.58 0.00 0.51 0.00 0.00 43.02 43.73 2btl s PHE 144 CO -0.01 -0.81 2.08 0.77 0.70 0.00 0.00 175.22 177.95 2btl h SER 145 N 6.85 0.00 -0.57 1.36 0.02 -1.98 -2.03 113.55 117.20 2btl h SER 145 Ca 0.04 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.99 2btl h SER 145 Cb 0.95 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.49 2btl h SER 145 CO 0.35 0.05 0.00 -0.90 -1.14 0.00 0.00 176.83 175.20 2btl n ASP 146 N -3.25 5.46 0.00 3.07 5.75 -1.26 -5.03 116.55 121.29 2btl n ASP 146 Ca -0.01 -2.83 0.00 0.00 -0.01 0.00 0.00 54.79 51.94 2btl n ASP 146 Cb 0.25 -0.67 0.00 0.00 -1.03 0.00 0.00 41.12 39.67 2btl n ASP 146 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2btl n GLY 147 N 0.68 0.61 0.00 6.12 0.00 -0.76 -3.07 105.19 108.77 2btl n GLY 147 Ca 0.27 -0.34 0.00 0.00 0.00 0.00 0.00 46.02 45.95 2btl n GLY 147 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2btl n GLY 148 N 0.00 3.14 3.74 -0.02 0.00 -0.91 -4.66 105.19 106.48 2btl n GLY 148 Ca 0.00 -1.85 -0.32 0.00 0.00 0.00 0.00 46.02 43.85 2btl n GLY 148 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2btl s PRO 149 N -2.17 2.02 1.08 1.61 0.04 -1.26 -1.79 135.00 134.52 2btl s PRO 149 Ca 0.00 1.37 -0.12 0.00 0.04 0.00 0.00 61.00 62.29 2btl s PRO 149 Cb 0.00 -1.86 0.24 0.00 0.04 0.00 0.00 34.50 32.92 2btl s PRO 149 CO 0.00 -1.85 1.06 0.16 0.04 0.00 0.00 177.00 176.41 2btl s ASP 150 N -2.92 1.72 0.00 6.66 -4.77 -0.30 -4.86 116.67 112.20 2btl s ASP 150 Ca 0.65 1.50 0.06 0.00 -3.30 0.00 0.00 52.55 51.45 2btl s ASP 150 Cb -0.20 -2.21 0.29 0.00 -1.09 0.00 0.00 42.92 39.71 2btl s ASP 150 CO 0.53 -3.74 1.03 0.61 0.70 0.00 0.00 175.17 174.30 2btl n GLY 151 N 0.13 -0.48 0.00 2.12 0.00 -1.26 -1.60 105.19 104.11 2btl n GLY 151 Ca 0.05 -0.03 0.08 0.00 0.00 0.00 0.00 46.02 46.12 2btl n GLY 151 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2btl n ASN 152 N -1.28 0.00 -4.23 1.61 3.02 -1.26 -4.86 115.26 108.25 2btl n ASN 152 Ca 0.03 0.13 -0.20 0.00 -0.03 0.00 0.00 54.58 54.51 2btl n ASN 152 Cb 0.05 -0.33 -0.12 0.00 -0.61 0.00 0.00 39.78 38.77 2btl n ASN 152 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 2btl s PHE 153 N -2.66 1.48 0.13 3.10 0.40 -0.63 -2.29 117.98 117.51 2btl s PHE 153 Ca 0.15 -0.47 -0.05 0.00 -0.60 0.00 0.00 56.93 55.96 2btl s PHE 153 Cb 0.12 -0.80 -0.02 0.00 0.51 0.00 0.00 43.02 42.82 2btl s PHE 153 CO 0.27 0.14 0.15 -0.98 0.70 0.00 0.00 175.22 175.51 2btl s ARG 154 N -2.10 0.97 0.08 0.44 1.70 -0.08 -4.90 118.95 115.05 2btl s ARG 154 Ca 0.04 -1.25 -0.04 0.00 -0.47 0.00 0.00 55.73 54.02 2btl s ARG 154 Cb -0.08 0.30 -0.03 0.00 -0.57 0.00 0.00 34.95 34.57 2btl s ARG 154 CO 0.03 -0.31 0.07 1.67 -1.08 0.00 0.00 175.30 175.68 2btl s TRP 155 N -3.98 0.44 0.44 5.89 -2.14 -1.26 -0.60 118.94 117.73 2btl s TRP 155 Ca 0.17 -0.92 -0.23 0.00 2.66 0.00 0.00 56.10 57.78 2btl s TRP 155 Cb 0.06 -0.28 -0.08 0.00 -3.10 0.00 0.00 33.47 30.07 2btl s TRP 155 CO -0.02 -0.47 1.13 -0.51 -2.66 0.00 0.00 176.95 174.43 2btl s ASP 156 N -2.92 6.36 -0.01 -2.66 1.01 -1.26 -4.99 116.67 112.19 2btl s ASP 156 Ca 0.09 2.23 -0.30 0.00 0.71 0.00 0.00 52.55 55.28 2btl s ASP 156 Cb 0.07 -2.60 -0.04 0.00 1.01 0.00 0.00 42.92 41.36 2btl s ASP 156 CO -0.08 -0.78 1.21 0.12 0.21 0.00 0.00 175.17 175.84 2btl s PHE 157 N -1.57 3.25 -0.07 4.23 5.36 -1.26 -4.92 117.98 123.00 2btl s PHE 157 Ca 0.62 1.23 0.01 0.00 -0.96 0.00 0.00 56.93 57.82 2btl s PHE 157 Cb -0.27 -3.43 0.02 0.00 -0.34 0.00 0.00 43.02 39.00 2btl s PHE 157 CO 0.33 -1.35 -0.07 0.42 -1.46 0.00 0.00 175.22 173.09 2btl s ILE 158 N 1.84 0.81 0.54 3.12 1.01 -1.26 -5.14 121.20 122.11 2btl s ILE 158 Ca 0.57 -0.23 -0.20 0.00 0.00 0.00 0.00 60.65 60.79 2btl s ILE 158 Cb -0.26 -0.82 -0.05 0.00 0.01 0.00 0.00 42.46 41.34 2btl s ILE 158 CO 0.25 0.30 1.20 -2.16 0.00 0.00 0.00 174.94 174.53 2btl s PRO 159 N 1.20 3.30 0.00 2.79 0.04 -1.26 -4.87 135.00 136.20 2btl s PRO 159 Ca -0.06 1.82 0.29 0.00 0.04 0.00 0.00 61.00 63.10 2btl s PRO 159 Cb -0.14 -2.12 1.76 0.00 0.04 0.00 0.00 34.50 34.04 2btl s PRO 159 CO -0.02 -0.94 2.09 -0.11 0.04 0.00 0.00 177.00 178.07