#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 2.41 -0.03 1.57 1.75 -1.26 -5.10 119.30 118.65 2btl s MET 28 Ca 0.00 -0.77 -0.30 0.00 -1.25 0.00 0.00 55.69 53.37 2btl s MET 28 Cb 0.00 -2.38 -0.06 0.00 2.84 0.00 0.00 34.83 35.23 2btl s MET 28 CO 0.00 -0.31 1.61 -1.54 -0.65 0.00 0.00 175.02 174.13 2btl s SER 29 N 1.38 6.69 0.22 1.11 1.04 -1.26 -4.84 113.70 118.03 2btl s SER 29 Ca 0.02 2.25 0.16 0.00 0.48 0.00 0.00 55.95 58.87 2btl s SER 29 Cb -0.14 -2.54 0.02 0.00 0.10 0.00 0.00 66.02 63.45 2btl s SER 29 CO -0.10 -0.89 1.25 0.28 0.98 0.00 0.00 173.24 174.76 2btl h SER 30 N 9.08 0.00 0.00 7.02 0.02 -2.06 -3.48 113.55 124.14 2btl h SER 30 Ca -0.39 0.00 -0.20 0.00 -0.84 0.00 0.00 61.79 60.36 2btl h SER 30 Cb 1.18 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.70 2btl h SER 30 CO 0.94 0.46 0.49 0.61 -1.14 0.00 0.00 176.83 178.19 2btl n GLY 31 N 1.26 -0.10 0.00 -3.77 0.00 -1.26 -4.68 105.19 96.64 2btl n GLY 31 Ca -0.01 0.36 0.00 0.00 0.00 0.00 0.00 46.02 46.37 2btl n GLY 31 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2btl n ASN 32 N 2.84 0.00 -4.92 1.61 5.03 -1.26 -4.92 115.26 113.64 2btl n ASN 32 Ca 0.19 0.00 -0.27 0.00 0.87 0.00 0.00 54.58 55.38 2btl n ASN 32 Cb -0.00 0.00 -0.02 0.00 -1.02 0.00 0.00 39.78 38.74 2btl n ASN 32 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2btl s ALA 33 N 0.00 3.68 0.46 5.41 0.00 -0.97 -4.87 121.76 125.48 2btl s ALA 33 Ca 0.00 -0.74 -0.25 0.00 0.00 0.00 0.00 51.96 50.97 2btl s ALA 33 Cb 0.00 -2.18 -0.08 0.00 0.00 0.00 0.00 23.12 20.86 2btl s ALA 33 CO 0.00 0.17 1.41 0.45 0.00 0.00 0.00 175.76 177.78 2btl s SER 34 N -3.51 5.84 0.60 0.00 0.15 -1.26 -1.83 113.70 113.68 2btl s SER 34 Ca 0.41 2.88 0.38 0.00 0.70 0.00 0.00 55.95 60.32 2btl s SER 34 Cb -0.10 -2.65 1.86 0.00 -1.71 0.00 0.00 66.02 63.42 2btl s SER 34 CO 0.32 -1.20 2.17 -0.50 1.20 0.00 0.00 173.24 175.24 2btl h TRP 35 N 2.25 0.00 -2.17 3.44 4.06 -1.94 -3.44 115.95 118.15 2btl h TRP 35 Ca -0.51 0.00 -0.59 0.00 2.06 0.00 0.00 58.89 59.85 2btl h TRP 35 Cb 1.27 0.00 -0.12 0.00 -1.00 0.00 0.00 29.16 29.30 2btl h TRP 35 CO 0.50 0.02 -0.71 -0.06 -3.56 0.00 0.00 178.44 174.62 2btl s PHE 36 N -3.96 2.43 1.00 0.49 0.40 -1.26 0.30 117.98 117.38 2btl s PHE 36 Ca -0.02 -0.32 -0.11 0.00 -0.60 0.00 0.00 56.93 55.88 2btl s PHE 36 Cb 0.11 -1.10 0.19 0.00 0.51 0.00 0.00 43.02 42.74 2btl s PHE 36 CO 0.49 0.67 1.10 1.14 0.70 0.00 0.00 175.22 179.31 2btl s GLN 37 N -3.58 0.34 0.33 0.44 -2.07 -0.79 -4.75 119.66 109.58 2btl s GLN 37 Ca 0.31 1.22 -0.16 0.00 -1.82 0.00 0.00 55.36 54.90 2btl s GLN 37 Cb -0.05 -1.67 -0.09 0.00 -1.09 0.00 0.00 33.01 30.11 2btl s GLN 37 CO 0.17 -2.99 0.77 0.00 -1.32 0.00 0.00 175.29 171.91 2btl s ALA 38 N -2.61 3.28 0.25 2.60 0.00 -1.26 -4.75 121.76 119.28 2btl s ALA 38 Ca 0.67 0.10 -0.10 0.00 0.00 0.00 0.00 51.96 52.62 2btl s ALA 38 Cb -0.23 -2.82 -0.07 0.00 0.00 0.00 0.00 23.12 19.99 2btl s ALA 38 CO 0.60 0.30 0.59 0.96 0.00 0.00 0.00 175.76 178.21 2btl s ILE 39 N -2.00 4.89 -0.04 0.00 -4.36 -0.92 -4.62 121.20 114.15 2btl s ILE 39 Ca 0.55 0.53 0.02 0.00 -0.26 0.00 0.00 60.65 61.50 2btl s ILE 39 Cb -0.10 -3.62 0.01 0.00 1.25 0.00 0.00 42.46 39.99 2btl s ILE 39 CO 0.17 -0.12 -0.10 -0.54 0.24 0.00 0.00 174.94 174.59 2btl s LYS 40 N -2.91 1.23 0.55 0.37 1.02 0.19 -1.31 119.74 118.87 2btl s LYS 40 Ca 0.48 -0.33 -0.20 0.00 0.02 0.00 0.00 55.97 55.94 2btl s LYS 40 Cb -0.11 -1.09 -0.05 0.00 -0.52 0.00 0.00 37.83 36.05 2btl s LYS 40 CO 0.21 0.07 1.17 0.00 -0.92 0.00 0.00 175.35 175.88 2btl s ALA 41 N 0.43 2.70 -0.54 5.17 0.00 -0.01 -0.33 121.76 129.18 2btl s ALA 41 Ca -0.08 0.93 0.24 0.00 0.00 0.00 0.00 51.96 53.05 2btl s ALA 41 Cb -0.12 -3.40 0.33 0.00 0.00 0.00 0.00 23.12 19.92 2btl s ALA 41 CO 0.02 -0.90 1.35 0.87 0.00 0.00 0.00 175.76 177.09 2btl h LYS 42 N 1.25 0.00 -3.49 0.00 1.57 -1.30 -3.43 116.57 111.18 2btl h LYS 42 Ca -0.50 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.24 2btl h LYS 42 Cb 1.27 0.00 -0.10 0.00 0.08 0.00 0.00 32.23 33.48 2btl h LYS 42 CO 0.57 0.00 -0.07 -1.59 -0.57 0.00 0.00 179.45 177.79 2btl s LYS 43 N -3.21 1.37 0.63 3.15 -2.85 -1.26 -4.96 119.74 112.61 2btl s LYS 43 Ca 0.05 -1.01 -0.16 0.00 -1.00 0.00 0.00 55.97 53.86 2btl s LYS 43 Cb 0.11 0.48 -0.01 0.00 -2.06 0.00 0.00 37.83 36.35 2btl s LYS 43 CO 0.71 -0.56 1.10 -0.51 0.10 0.00 0.00 175.35 176.19 2btl s LEU 44 N -2.92 3.45 -0.78 2.77 1.43 -1.26 -4.11 118.68 117.25 2btl s LEU 44 Ca 0.13 1.99 -0.01 0.00 -1.03 0.00 0.00 54.13 55.21 2btl s LEU 44 Cb -0.00 -4.55 -0.01 0.00 0.03 0.00 0.00 46.19 41.66 2btl s LEU 44 CO 0.00 -1.51 0.66 -3.20 0.23 0.00 0.00 176.35 172.53 2btl n ASN 45 N -2.23 -2.55 -4.54 2.29 4.05 -1.26 -5.03 115.26 105.99 2btl n ASN 45 Ca 0.10 -0.42 -0.34 0.00 0.45 0.00 0.00 54.58 54.37 2btl n ASN 45 Cb 0.52 -3.60 -0.12 0.00 1.23 0.00 0.00 39.78 37.81 2btl n ASN 45 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 177.26 173.32 2btl s THR 46 N -3.24 3.87 1.06 -0.44 2.01 -1.26 -5.12 115.64 112.52 2btl s THR 46 Ca 0.05 -0.39 -0.12 0.00 0.31 0.00 0.00 61.69 61.54 2btl s THR 46 Cb -0.01 -2.65 0.23 0.00 0.01 0.00 0.00 72.50 70.08 2btl s THR 46 CO 0.49 0.54 1.07 -2.16 -0.69 0.00 0.00 174.62 173.87 2btl s PRO 47 N -0.16 -0.12 0.71 4.92 0.04 -1.26 -4.98 135.00 134.15 2btl s PRO 47 Ca 0.03 1.03 -0.16 0.00 0.04 0.00 0.00 61.00 61.94 2btl s PRO 47 Cb -0.13 -1.63 0.01 0.00 0.04 0.00 0.00 34.50 32.79 2btl s PRO 47 CO 0.03 -3.24 1.04 -2.30 0.04 0.00 0.00 177.00 172.57 2btl n PRO 48 N -4.60 0.60 -1.93 0.56 -0.02 -1.26 -4.93 135.00 123.42 2btl n PRO 48 Ca 0.06 0.26 -0.40 0.00 -2.02 0.00 0.00 63.50 61.40 2btl n PRO 48 Cb 0.54 -2.29 -0.00 0.00 -0.02 0.00 0.00 33.50 31.73 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 -3.38 4.00 0.09 0.52 0.04 -1.26 -5.04 135.00 129.98 2btl s PRO 49 Ca 0.75 2.35 0.06 0.00 0.04 0.00 0.00 61.00 64.20 2btl s PRO 49 Cb -0.35 -2.84 -0.04 0.00 0.04 0.00 0.00 34.50 31.31 2btl s PRO 49 CO 0.48 -0.54 -0.04 0.15 0.04 0.00 0.00 177.00 177.10 2btl s LYS 50 N -2.18 2.39 -0.06 4.56 1.02 -1.26 -4.99 119.74 119.23 2btl s LYS 50 Ca 0.55 -0.90 0.04 0.00 0.02 0.00 0.00 55.97 55.69 2btl s LYS 50 Cb -0.42 -2.45 -0.00 0.00 -0.52 0.00 0.00 37.83 34.44 2btl s LYS 50 CO 0.56 0.53 -0.18 -0.06 -0.92 0.00 0.00 175.35 175.28 2btl s PHE 51 N -1.25 1.87 0.12 3.18 0.40 -1.26 -0.19 117.98 120.84 2btl s PHE 51 Ca 0.23 -0.60 -0.30 0.00 -0.60 0.00 0.00 56.93 55.66 2btl s PHE 51 Cb -0.11 -1.27 -0.07 0.00 0.51 0.00 0.00 43.02 42.08 2btl s PHE 51 CO 0.16 -0.22 1.16 -2.00 0.70 0.00 0.00 175.22 175.02 2btl s GLU 52 N 0.16 4.50 1.57 0.44 2.12 0.00 -4.82 118.70 122.66 2btl s GLU 52 Ca -0.08 1.76 0.00 0.00 0.36 0.00 0.00 54.97 57.02 2btl s GLU 52 Cb -0.13 -3.31 0.00 0.00 0.26 0.00 0.00 34.13 30.95 2btl s GLU 52 CO 0.04 -0.12 0.00 0.41 -0.54 0.00 0.00 175.26 175.05 2btl n GLY 53 N 2.66 -1.73 0.21 -1.50 0.00 -1.22 -1.31 105.19 102.31 2btl n GLY 53 Ca 0.06 -1.38 -0.01 0.00 0.00 0.00 0.00 46.02 44.69 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 0.25 0.00 1.61 4.64 -1.84 -3.47 113.55 114.74 2btl h SER 54 Ca 0.00 -0.08 0.00 0.00 -0.47 0.00 0.00 61.79 61.24 2btl h SER 54 Cb 0.00 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 62.02 2btl h SER 54 CO 0.00 0.55 0.00 0.61 -0.87 0.00 0.00 176.83 177.12 2btl n GLY 55 N -0.43 0.83 3.69 -0.77 0.00 -1.26 -3.61 105.19 103.64 2btl n GLY 55 Ca -0.01 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.62 2btl n GLY 55 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2btl s VAL 56 N -3.26 5.14 0.81 1.61 0.11 -1.26 -4.94 120.40 118.61 2btl s VAL 56 Ca 0.00 0.97 -0.13 0.00 -2.93 0.00 0.00 61.98 59.89 2btl s VAL 56 Cb 0.00 -3.84 0.09 0.00 -1.53 0.00 0.00 36.38 31.10 2btl s VAL 56 CO 0.00 0.24 1.19 -2.84 -3.33 0.00 0.00 175.10 170.37 2btl s PRO 57 N 1.19 1.63 0.35 1.54 0.02 -1.26 -4.91 135.00 133.55 2btl s PRO 57 Ca 0.25 1.71 -0.28 0.00 0.02 0.00 0.00 61.00 62.70 2btl s PRO 57 Cb -0.15 -1.78 -0.11 0.00 0.02 0.00 0.00 34.50 32.48 2btl s PRO 57 CO 0.10 -2.21 1.46 -0.51 -0.33 0.00 0.00 177.00 175.50 2btl s ASP 58 N -2.25 6.46 -0.29 2.53 -0.00 0.38 -4.99 116.67 118.51 2btl s ASP 58 Ca 0.72 2.94 0.05 0.00 -0.00 0.00 0.00 52.55 56.26 2btl s ASP 58 Cb -0.28 -2.66 0.20 0.00 -0.00 0.00 0.00 42.92 40.18 2btl s ASP 58 CO 0.51 -0.79 0.58 0.21 -0.00 0.00 0.00 175.17 175.68 2btl s ASN 59 N -0.13 -1.54 0.00 0.27 3.84 -1.26 -4.81 114.94 111.31 2btl s ASN 59 Ca 0.53 0.25 0.10 0.00 0.21 0.00 0.00 52.86 53.96 2btl s ASN 59 Cb -0.45 2.02 0.45 0.00 -0.55 0.00 0.00 41.25 42.72 2btl s ASN 59 CO 0.58 -0.30 1.34 -0.62 -2.79 0.00 0.00 177.10 175.31 2btl n GLU 60 N 5.42 0.00 -0.73 0.43 1.02 -1.26 -2.40 120.64 123.12 2btl n GLU 60 Ca 0.04 0.32 -0.14 0.00 -0.02 0.00 0.00 57.16 57.36 2btl n GLU 60 Cb 0.54 -1.50 0.10 0.00 -0.02 0.00 0.00 31.44 30.55 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 -1.50 3.74 -3.67 1.62 2.85 -1.26 -4.83 115.26 112.21 2btl n ASN 61 Ca 0.03 -2.95 -0.14 0.00 -0.11 0.00 0.00 54.58 51.41 2btl n ASN 61 Cb 0.12 -0.73 -0.08 0.00 1.24 0.00 0.00 39.78 40.33 2btl n ASN 61 CO 0.00 0.00 0.00 -0.04 -2.11 0.00 0.00 177.26 175.11 2btl s MET 62 N -1.92 0.71 0.19 1.20 -1.94 -1.01 -5.11 119.30 111.43 2btl s MET 62 Ca 0.33 0.57 -0.07 0.00 -1.71 0.00 0.00 55.69 54.81 2btl s MET 62 Cb 0.28 0.34 -0.06 0.00 2.01 0.00 0.00 34.83 37.40 2btl s MET 62 CO 0.06 -0.13 0.46 0.15 -0.01 0.00 0.00 175.02 175.55 2btl s LYS 63 N -0.14 3.70 0.62 2.03 -0.14 -1.26 -4.94 119.74 119.61 2btl s LYS 63 Ca -0.03 0.08 0.23 0.00 -1.36 0.00 0.00 55.97 54.89 2btl s LYS 63 Cb -0.03 -2.75 1.07 0.00 -1.68 0.00 0.00 37.83 34.44 2btl s LYS 63 CO 0.03 0.39 1.55 -1.35 -0.76 0.00 0.00 175.35 175.20 2btl h PRO 64 N 2.62 0.00 0.00 -1.68 0.11 -1.91 0.47 132.00 131.62 2btl h PRO 64 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 2btl h PRO 64 Cb 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 2btl h PRO 64 CO 0.71 0.00 0.00 0.66 -0.21 0.00 0.00 178.00 179.16 2btl h SER 65 N 0.00 0.00 -0.01 -2.05 4.64 -1.84 -3.10 113.55 111.19 2btl h SER 65 Ca 0.23 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.55 2btl h SER 65 Cb 1.80 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.89 2btl h SER 65 CO -0.00 0.00 -0.39 0.00 -0.87 0.00 0.00 176.83 175.57 2btl n GLN 66 N -2.31 1.49 -2.85 4.77 6.02 0.17 -2.05 117.38 122.61 2btl n GLN 66 Ca 0.04 -0.91 -0.43 0.00 -0.01 0.00 0.00 57.00 55.68 2btl n GLN 66 Cb 0.33 -1.36 -0.02 0.00 1.02 0.00 0.00 30.24 30.21 2btl n GLN 66 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 2btl s GLN 67 N -2.13 3.75 -0.16 -1.09 -1.52 -1.17 -4.88 119.66 112.45 2btl s GLN 67 Ca 0.16 -1.89 -0.29 0.00 -1.95 0.00 0.00 55.36 51.38 2btl s GLN 67 Cb 0.15 -5.07 0.11 0.00 -0.22 0.00 0.00 33.01 27.98 2btl s GLN 67 CO 0.47 -1.87 0.89 -3.38 -0.25 0.00 0.00 175.29 171.15 2btl s HIS 68 N 2.86 -0.51 -1.20 0.91 -3.43 -1.26 -0.50 115.29 112.17 2btl s HIS 68 Ca 0.39 0.98 0.00 0.00 -0.80 0.00 0.00 55.06 55.62 2btl s HIS 68 Cb -0.03 0.41 0.00 0.00 -1.43 0.00 0.00 32.58 31.53 2btl s HIS 68 CO -0.06 -0.40 0.00 0.41 -2.00 0.00 0.00 174.74 172.69 2btl n GLY 69 N 1.21 -0.94 3.11 -1.38 0.00 -0.73 -2.51 105.19 103.95 2btl n GLY 69 Ca -0.13 -0.82 -0.17 0.00 0.00 0.00 0.00 46.02 44.90 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 -3.00 0.97 -0.01 1.61 -0.85 0.28 -1.37 117.35 114.97 2btl s TYR 70 Ca 0.00 -0.41 -0.12 0.00 -0.52 0.00 0.00 57.07 56.02 2btl s TYR 70 Cb 0.00 -0.57 -0.05 0.00 0.38 0.00 0.00 41.96 41.72 2btl s TYR 70 CO 0.00 -0.00 0.35 -1.58 -1.52 0.00 0.00 175.55 172.79 2btl s TRP 71 N -1.09 3.68 -0.08 -3.49 0.52 0.23 -1.14 118.94 117.57 2btl s TRP 71 Ca -0.03 0.85 0.01 0.00 0.02 0.00 0.00 56.10 56.95 2btl s TRP 71 Cb -0.09 -2.18 0.02 0.00 -1.15 0.00 0.00 33.47 30.07 2btl s TRP 71 CO 0.01 0.64 -0.11 0.50 0.02 0.00 0.00 176.95 178.01 2btl s ARG 72 N -1.23 1.74 0.30 4.98 3.52 -0.02 -1.60 118.95 126.64 2btl s ARG 72 Ca 0.24 -0.39 -0.29 0.00 -0.13 0.00 0.00 55.73 55.15 2btl s ARG 72 Cb -0.15 -1.53 -0.10 0.00 -1.56 0.00 0.00 34.95 31.61 2btl s ARG 72 CO 0.12 -0.07 1.23 0.50 -0.81 0.00 0.00 175.30 176.28 2btl s ARG 73 N 0.99 4.46 -0.08 5.12 3.52 0.01 -1.54 118.95 131.44 2btl s ARG 73 Ca -0.08 2.05 -0.01 0.00 -0.13 0.00 0.00 55.73 57.56 2btl s ARG 73 Cb -0.15 -3.13 0.03 0.00 -1.56 0.00 0.00 34.95 30.14 2btl s ARG 73 CO -0.00 -0.05 -0.03 -1.14 -0.81 0.00 0.00 175.30 173.27 2btl s GLN 74 N -1.50 0.91 0.52 5.12 0.74 0.99 -4.97 119.66 121.46 2btl s GLN 74 Ca 0.48 -0.03 -0.20 0.00 0.05 0.00 0.00 55.36 55.66 2btl s GLN 74 Cb -0.37 -1.13 -0.07 0.00 1.10 0.00 0.00 33.01 32.55 2btl s GLN 74 CO 0.47 -0.25 1.07 0.00 -0.55 0.00 0.00 175.29 176.03 2btl s ALA 75 N 1.72 2.79 0.05 1.58 0.00 -1.26 -1.43 121.76 125.21 2btl s ALA 75 Ca 0.02 0.67 0.01 0.00 0.00 0.00 0.00 51.96 52.65 2btl s ALA 75 Cb -0.13 -3.29 -0.03 0.00 0.00 0.00 0.00 23.12 19.67 2btl s ALA 75 CO -0.05 -0.52 -0.05 1.03 0.00 0.00 0.00 175.76 176.17 2btl s ARG 76 N -3.32 0.56 -0.05 0.00 0.52 -1.26 -4.92 118.95 110.48 2btl s ARG 76 Ca 0.69 -0.97 -0.02 0.00 -0.52 0.00 0.00 55.73 54.90 2btl s ARG 76 Cb -0.19 -0.02 0.03 0.00 0.52 0.00 0.00 34.95 35.29 2btl s ARG 76 CO 0.24 -0.04 0.11 -0.06 0.02 0.00 0.00 175.30 175.57 2btl s PHE 77 N -2.61 -0.11 0.25 -0.53 0.40 -1.26 -2.30 117.98 111.82 2btl s PHE 77 Ca -0.02 0.37 0.10 0.00 -0.60 0.00 0.00 56.93 56.79 2btl s PHE 77 Cb -0.02 -0.10 -0.05 0.00 0.51 0.00 0.00 43.02 43.37 2btl s PHE 77 CO -0.04 -0.13 -0.11 -1.59 0.70 0.00 0.00 175.22 174.05 2btl s LYS 78 N 1.00 1.98 0.40 0.44 -2.85 -0.25 -4.95 119.74 115.51 2btl s LYS 78 Ca -0.08 -1.53 -0.24 0.00 -1.00 0.00 0.00 55.97 53.12 2btl s LYS 78 Cb -0.10 -2.00 -0.09 0.00 -2.06 0.00 0.00 37.83 33.58 2btl s LYS 78 CO -0.04 0.37 1.09 -1.25 0.10 0.00 0.00 175.35 175.62 2btl s PRO 79 N -3.40 4.11 0.00 1.78 0.04 -1.26 0.30 135.00 136.57 2btl s PRO 79 Ca 0.29 1.64 0.00 0.00 0.04 0.00 0.00 61.00 62.97 2btl s PRO 79 Cb -0.06 -2.59 0.00 0.00 0.04 0.00 0.00 34.50 31.89 2btl s PRO 79 CO 0.17 -0.22 0.00 0.41 0.04 0.00 0.00 177.00 177.40 2btl n GLY 80 N 0.47 3.50 0.13 0.56 0.00 -1.22 -4.68 105.19 103.94 2btl n GLY 80 Ca 0.05 -0.58 -0.05 0.00 0.00 0.00 0.00 46.02 45.44 2btl n GLY 80 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2btl h LYS 81 N 0.00 -0.30 -4.78 1.61 1.79 -1.94 -3.41 116.57 109.53 2btl h LYS 81 Ca 0.00 0.02 -0.68 0.00 -2.18 0.00 0.00 60.65 57.81 2btl h LYS 81 Cb 0.00 0.07 -0.25 0.00 -1.58 0.00 0.00 32.23 30.47 2btl h LYS 81 CO 0.00 -0.20 -0.59 0.20 -1.08 0.00 0.00 179.45 177.78 2btl s GLY 82 N -1.24 1.83 0.00 3.86 0.00 -1.26 -4.99 107.32 105.51 2btl s GLY 82 Ca -0.05 -1.44 0.00 0.00 0.00 0.00 0.00 44.72 43.23 2btl s GLY 82 CO 0.14 0.68 0.00 0.61 0.00 0.00 0.00 173.10 174.53 2btl n GLY 83 N 4.92 2.16 3.36 0.20 0.00 -1.26 -4.47 105.19 110.09 2btl n GLY 83 Ca -0.14 0.39 -0.31 0.00 0.00 0.00 0.00 46.02 45.96 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 0.00 2.01 0.12 1.61 0.52 -1.26 -3.45 118.95 118.50 2btl s ARG 84 Ca 0.00 -0.99 -0.19 0.00 -0.52 0.00 0.00 55.73 54.03 2btl s ARG 84 Cb 0.00 -2.06 -0.07 0.00 0.52 0.00 0.00 34.95 33.34 2btl s ARG 84 CO 0.00 0.54 0.62 0.00 0.02 0.00 0.00 175.30 176.48 2btl s PRO 86 N -1.40 4.69 0.05 0.00 0.02 -1.26 -1.09 135.00 136.01 2btl s PRO 86 Ca 0.34 1.68 0.08 0.00 0.02 0.00 0.00 61.00 63.11 2btl s PRO 86 Cb -0.19 -3.25 -0.03 0.00 0.02 0.00 0.00 34.50 31.05 2btl s PRO 86 CO 0.20 0.25 -0.22 0.54 -0.33 0.00 0.00 177.00 177.44 2btl s VAL 87 N -0.83 2.48 0.57 3.83 0.11 -0.97 -4.85 120.40 120.73 2btl s VAL 87 Ca 0.45 -1.31 -0.18 0.00 -2.93 0.00 0.00 61.98 58.01 2btl s VAL 87 Cb -0.29 -2.01 -0.12 0.00 -1.53 0.00 0.00 36.38 32.42 2btl s VAL 87 CO 0.36 0.34 0.09 -2.65 -3.33 0.00 0.00 175.10 169.90 2btl n PRO 88 N 1.61 0.18 -2.01 1.54 -0.02 -1.26 -4.12 135.00 130.92 2btl n PRO 88 Ca -0.17 0.07 -0.35 0.00 -2.02 0.00 0.00 63.50 61.03 2btl n PRO 88 Cb 0.52 -1.28 0.03 0.00 -0.02 0.00 0.00 33.50 32.75 2btl n PRO 88 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2btl s ASP 89 N -1.09 5.23 0.15 2.55 1.01 -1.26 -4.61 116.67 118.65 2btl s ASP 89 Ca 0.60 2.31 0.08 0.00 0.71 0.00 0.00 52.55 56.25 2btl s ASP 89 Cb -0.45 -2.59 -0.04 0.00 1.01 0.00 0.00 42.92 40.85 2btl s ASP 89 CO 0.63 -1.56 -0.07 0.00 0.21 0.00 0.00 175.17 174.38 2btl s ALA 90 N -1.71 3.02 -0.04 5.23 0.00 -0.51 -0.83 121.76 126.92 2btl s ALA 90 Ca 0.75 -1.36 0.03 0.00 0.00 0.00 0.00 51.96 51.39 2btl s ALA 90 Cb -0.28 -0.86 0.00 0.00 0.00 0.00 0.00 23.12 21.98 2btl s ALA 90 CO 0.33 0.54 -0.12 -1.58 0.00 0.00 0.00 175.76 174.93 2btl s TRP 91 N -1.52 1.28 -0.05 0.00 0.52 -0.43 -0.01 118.94 118.73 2btl s TRP 91 Ca 0.24 -0.36 0.07 0.00 0.02 0.00 0.00 56.10 56.07 2btl s TRP 91 Cb -0.10 -0.89 -0.01 0.00 -1.15 0.00 0.00 33.47 31.32 2btl s TRP 91 CO 0.16 -0.14 -0.25 0.71 0.02 0.00 0.00 176.95 177.44 2btl s TYR 92 N 0.20 2.42 0.05 -1.98 1.51 -0.59 -2.16 117.35 116.80 2btl s TYR 92 Ca -0.05 -0.63 -0.18 0.00 -1.01 0.00 0.00 57.07 55.20 2btl s TYR 92 Cb -0.10 -1.57 -0.06 0.00 -0.11 0.00 0.00 41.96 40.11 2btl s TYR 92 CO 0.01 -0.16 0.53 0.12 -1.11 0.00 0.00 175.55 174.95 2btl s PHE 93 N -0.30 3.78 0.02 2.71 5.36 -1.26 -0.84 117.98 127.44 2btl s PHE 93 Ca 0.01 1.20 0.03 0.00 -0.96 0.00 0.00 56.93 57.20 2btl s PHE 93 Cb -0.13 -2.45 -0.01 0.00 -0.34 0.00 0.00 43.02 40.09 2btl s PHE 93 CO 0.02 0.59 -0.09 0.71 -1.46 0.00 0.00 175.22 175.00 2btl s TYR 94 N -1.05 0.76 0.56 10.12 2.02 -0.29 -4.35 117.35 125.12 2btl s TYR 94 Ca 0.28 -0.27 -0.18 0.00 -0.37 0.00 0.00 57.07 56.53 2btl s TYR 94 Cb -0.19 -0.47 -0.05 0.00 -0.40 0.00 0.00 41.96 40.86 2btl s TYR 94 CO 0.17 -0.02 1.09 0.71 -1.57 0.00 0.00 175.55 175.94 2btl s TYR 95 N -0.64 2.79 0.17 2.71 1.51 -1.26 -0.56 117.35 122.07 2btl s TYR 95 Ca -0.01 1.55 -0.33 0.00 -1.01 0.00 0.00 57.07 57.27 2btl s TYR 95 Cb -0.06 -3.17 -0.13 0.00 -0.11 0.00 0.00 41.96 38.50 2btl s TYR 95 CO 0.00 -1.36 1.69 2.41 -1.11 0.00 0.00 175.55 177.18 2btl n THR 96 N -1.60 0.06 -0.54 -0.71 -1.04 -1.04 -1.66 114.28 107.75 2btl n THR 96 Ca 0.10 -0.01 0.00 0.00 -2.04 0.00 0.00 64.05 62.10 2btl n THR 96 Cb 0.52 -1.83 0.00 0.00 -1.82 0.00 0.00 70.33 67.19 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 3.81 0.74 3.43 3.41 0.00 -1.26 -4.63 105.19 110.70 2btl n GLY 97 Ca 0.17 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.97 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 -2.31 1.72 0.00 2.61 -4.23 -0.66 -4.74 115.64 108.02 2btl s THR 98 Ca 0.00 -2.15 0.00 0.00 -1.18 0.00 0.00 61.69 58.36 2btl s THR 98 Cb 0.00 -2.43 0.00 0.00 1.34 0.00 0.00 72.50 71.41 2btl s THR 98 CO 0.00 -0.32 0.00 0.61 -0.54 0.00 0.00 174.62 174.37 2btl n GLY 99 N -0.58 -1.84 0.34 3.99 0.00 -1.26 -3.65 105.19 102.18 2btl n GLY 99 Ca -0.06 -1.37 0.18 0.00 0.00 0.00 0.00 46.02 44.77 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 0.00 -1.22 1.61 0.11 -1.99 -1.73 132.00 128.78 2btl h PRO 100 Ca 0.00 0.00 -0.59 0.00 0.11 0.00 0.00 66.00 65.52 2btl h PRO 100 Cb 0.00 0.00 -0.41 0.00 0.11 0.00 0.00 31.00 30.70 2btl h PRO 100 CO 0.00 0.00 -0.62 0.00 -0.21 0.00 0.00 178.00 177.17 2btl n ALA 101 N -2.21 5.17 -0.34 -0.75 0.00 -1.26 -4.85 120.51 116.27 2btl n ALA 101 Ca 0.01 -4.08 0.02 0.00 0.00 0.00 0.00 53.44 49.39 2btl n ALA 101 Cb 0.33 -0.57 0.19 0.00 0.00 0.00 0.00 19.45 19.39 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 2.42 1.42 0.00 0.00 0.00 -1.38 -2.91 119.26 118.81 2btl h ALA 102 Ca 0.35 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.23 2btl h ALA 102 Cb 1.11 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.59 2btl h ALA 102 CO 0.87 0.46 0.00 -0.44 0.00 0.00 0.00 179.25 180.14 2btl h ASP 103 N 1.16 0.00 -4.03 0.00 3.32 -1.88 -3.36 116.42 111.63 2btl h ASP 103 Ca 0.40 0.00 -0.49 0.00 0.02 0.00 0.00 57.03 56.96 2btl h ASP 103 Cb 0.10 0.00 0.05 0.00 0.22 0.00 0.00 39.33 39.70 2btl h ASP 103 CO -0.14 0.00 0.44 -0.04 -1.72 0.00 0.00 179.24 177.78 2btl s MET 104 N -3.45 3.74 0.41 3.56 -1.94 -1.10 -5.06 119.30 115.46 2btl s MET 104 Ca 0.04 1.60 -0.08 0.00 -1.71 0.00 0.00 55.69 55.53 2btl s MET 104 Cb 0.09 -2.27 -0.05 0.00 2.01 0.00 0.00 34.83 34.61 2btl s MET 104 CO 0.50 -0.52 0.74 -0.80 -0.01 0.00 0.00 175.02 174.93 2btl s ASN 105 N -1.63 6.44 0.12 3.03 0.01 -1.26 -4.53 114.94 117.12 2btl s ASN 105 Ca 0.66 1.02 -0.32 0.00 -0.71 0.00 0.00 52.86 53.50 2btl s ASN 105 Cb -0.24 -2.28 -0.12 0.00 0.41 0.00 0.00 41.25 39.03 2btl s ASN 105 CO 0.28 -0.42 1.77 1.87 -1.51 0.00 0.00 177.10 179.10 2btl n TRP 106 N -1.50 2.53 0.00 2.20 -0.00 -1.26 -2.47 117.44 116.93 2btl n TRP 106 Ca 0.01 -0.01 0.00 0.00 -0.00 0.00 0.00 57.50 57.50 2btl n TRP 106 Cb 0.54 -2.67 0.00 0.00 -0.00 0.00 0.00 31.31 29.18 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 4.04 2.53 3.60 5.87 0.00 -1.26 -5.06 105.19 114.91 2btl n GLY 107 Ca 0.18 0.00 -0.44 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 1.40 -4.68 1.61 8.00 -1.03 -4.89 116.55 116.95 2btl n ASP 108 Ca 0.00 1.16 -0.42 0.00 0.71 0.00 0.00 54.79 56.24 2btl n ASP 108 Cb 0.00 -1.31 -0.03 0.00 -0.02 0.00 0.00 41.12 39.76 2btl n ASP 108 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 2btl s THR 109 N -1.10 3.92 -0.28 -3.53 2.01 -1.26 -5.00 115.64 110.40 2btl s THR 109 Ca 0.59 1.27 -0.15 0.00 0.31 0.00 0.00 61.69 63.70 2btl s THR 109 Cb -0.67 -3.82 0.09 0.00 0.01 0.00 0.00 72.50 68.12 2btl s THR 109 CO 0.60 -0.02 0.73 -1.58 -0.69 0.00 0.00 174.62 173.66 2btl s GLN 110 N 2.50 0.65 0.43 4.92 2.00 -1.26 -5.14 119.66 123.75 2btl s GLN 110 Ca 0.61 1.17 -0.26 0.00 -2.00 0.00 0.00 55.36 54.88 2btl s GLN 110 Cb -0.29 0.21 -0.09 0.00 0.80 0.00 0.00 33.01 33.64 2btl s GLN 110 CO 0.24 -0.14 1.45 -0.51 -0.50 0.00 0.00 175.29 175.82 2btl s ASP 111 N 1.74 6.04 0.00 6.67 1.01 -1.26 -2.61 116.67 128.25 2btl s ASP 111 Ca -0.09 2.96 0.00 0.00 0.71 0.00 0.00 52.55 56.13 2btl s ASP 111 Cb -0.06 -2.66 0.00 0.00 1.01 0.00 0.00 42.92 41.22 2btl s ASP 111 CO -0.19 -1.07 0.00 0.61 0.21 0.00 0.00 175.17 174.73 2btl n GLY 112 N 0.54 0.33 3.09 0.21 0.00 -1.26 -4.96 105.19 103.14 2btl n GLY 112 Ca 0.04 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.75 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 -1.77 1.77 -0.07 -0.61 1.01 -1.07 -0.81 121.20 119.64 2btl s ILE 113 Ca 0.00 -0.78 0.03 0.00 0.00 0.00 0.00 60.65 59.89 2btl s ILE 113 Cb 0.00 -1.60 -0.02 0.00 0.01 0.00 0.00 42.46 40.84 2btl s ILE 113 CO 0.00 0.49 -0.14 0.68 0.00 0.00 0.00 174.94 175.97 2btl s VAL 114 N 1.12 3.05 -0.14 2.92 -7.23 -0.63 -4.73 120.40 114.76 2btl s VAL 114 Ca -0.02 -0.71 -0.08 0.00 -1.81 0.00 0.00 61.98 59.37 2btl s VAL 114 Cb -0.14 -2.22 -0.04 0.00 0.56 0.00 0.00 36.38 34.54 2btl s VAL 114 CO -0.06 0.57 0.13 0.26 -0.31 0.00 0.00 175.10 175.69 2btl s TRP 115 N -0.43 3.52 0.01 2.82 0.52 -1.26 -0.60 118.94 123.53 2btl s TRP 115 Ca 0.05 0.45 0.01 0.00 0.02 0.00 0.00 56.10 56.64 2btl s TRP 115 Cb -0.12 -1.99 -0.01 0.00 -1.15 0.00 0.00 33.47 30.20 2btl s TRP 115 CO 0.02 0.60 -0.04 -1.64 0.02 0.00 0.00 176.95 175.91 2btl s MET 116 N -0.65 0.34 -0.10 4.98 -1.94 -0.47 -4.99 119.30 116.47 2btl s MET 116 Ca 0.13 -0.38 -0.11 0.00 -1.71 0.00 0.00 55.69 53.61 2btl s MET 116 Cb -0.12 -0.19 0.03 0.00 2.01 0.00 0.00 34.83 36.56 2btl s MET 116 CO 0.02 0.04 0.31 0.00 -0.01 0.00 0.00 175.02 175.39 2btl s ALA 117 N -0.69 -0.77 0.75 3.03 0.00 -1.24 -1.77 121.76 121.07 2btl s ALA 117 Ca -0.05 0.78 -0.11 0.00 0.00 0.00 0.00 51.96 52.58 2btl s ALA 117 Cb -0.05 -0.42 0.05 0.00 0.00 0.00 0.00 23.12 22.70 2btl s ALA 117 CO -0.00 -0.17 1.12 0.00 0.00 0.00 0.00 175.76 176.71 2btl s ALA 118 N -0.09 2.82 0.08 0.00 0.00 0.35 -4.70 121.76 120.22 2btl s ALA 118 Ca -0.02 -0.53 -0.33 0.00 0.00 0.00 0.00 51.96 51.08 2btl s ALA 118 Cb -0.03 -2.95 -0.12 0.00 0.00 0.00 0.00 23.12 20.02 2btl s ALA 118 CO 0.01 -1.37 1.77 1.17 0.00 0.00 0.00 175.76 177.33 2btl n LYS 119 N -3.12 2.42 -0.74 0.00 0.00 -1.26 -2.25 118.16 113.21 2btl n LYS 119 Ca 0.07 0.88 0.00 0.00 0.00 0.00 0.00 58.31 59.26 2btl n LYS 119 Cb 0.59 -2.72 0.00 0.00 0.00 0.00 0.00 35.03 32.90 2btl n LYS 119 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2btl n GLY 120 N 4.01 0.59 3.73 3.14 0.00 -1.26 -4.70 105.19 110.71 2btl n GLY 120 Ca 0.19 -0.31 -0.41 0.00 0.00 0.00 0.00 46.02 45.49 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 -2.00 3.30 -0.69 4.61 0.00 -0.95 -3.53 121.76 122.49 2btl s ALA 121 Ca 0.00 0.70 -0.12 0.00 0.00 0.00 0.00 51.96 52.54 2btl s ALA 121 Cb 0.00 -3.34 0.18 0.00 0.00 0.00 0.00 23.12 19.96 2btl s ALA 121 CO 0.00 -0.19 0.61 0.34 0.00 0.00 0.00 175.76 176.52 2btl s ASP 122 N 0.29 6.26 0.00 0.00 3.68 -0.87 -4.94 116.67 121.09 2btl s ASP 122 Ca 0.51 -2.45 0.11 0.00 2.13 0.00 0.00 52.55 52.84 2btl s ASP 122 Cb -0.26 -2.12 0.66 0.00 -1.45 0.00 0.00 42.92 39.75 2btl s ASP 122 CO 0.31 -0.61 1.10 0.35 0.13 0.00 0.00 175.17 176.46 2btl n THR 123 N 4.24 0.00 0.04 1.71 -2.24 -1.26 -1.34 114.28 115.42 2btl n THR 123 Ca 0.05 0.00 -0.02 0.00 -2.27 0.00 0.00 64.05 61.81 2btl n THR 123 Cb 0.43 -0.59 -0.08 0.00 -2.10 0.00 0.00 70.33 67.99 2btl n THR 123 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 2btl h LYS 124 N 0.00 0.00 -7.13 -0.78 3.64 -1.93 -3.41 116.57 106.96 2btl h LYS 124 Ca 0.00 0.00 -0.48 0.00 -1.27 0.00 0.00 60.65 58.90 2btl h LYS 124 Cb 0.00 0.00 0.05 0.00 -0.41 0.00 0.00 32.23 31.87 2btl h LYS 124 CO 0.00 0.41 0.39 -1.54 -2.27 0.00 0.00 179.45 176.44 2btl s SER 125 N -6.00 6.04 0.09 4.20 1.04 -0.45 -5.08 113.70 113.54 2btl s SER 125 Ca -0.02 1.90 0.09 0.00 0.48 0.00 0.00 55.95 58.41 2btl s SER 125 Cb 0.08 -2.55 -0.03 0.00 0.10 0.00 0.00 66.02 63.62 2btl s SER 125 CO 0.81 -0.99 -0.24 -0.13 0.98 0.00 0.00 173.24 173.67 2btl s ARG 126 N -3.60 1.42 0.49 4.02 3.00 -1.26 -4.97 118.95 118.05 2btl s ARG 126 Ca 0.66 -1.18 -0.01 0.00 0.00 0.00 0.00 55.73 55.20 2btl s ARG 126 Cb -0.17 -1.72 0.00 0.00 0.00 0.00 0.00 34.95 33.06 2btl s ARG 126 CO 0.28 0.42 0.74 -1.54 0.00 0.00 0.00 175.30 175.20 2btl s SER 127 N -1.69 5.76 -0.12 0.23 1.04 -1.26 -5.00 113.70 112.66 2btl s SER 127 Ca 0.10 0.41 0.12 0.00 0.48 0.00 0.00 55.95 57.06 2btl s SER 127 Cb -0.10 -1.58 0.55 0.00 0.10 0.00 0.00 66.02 65.00 2btl s SER 127 CO 0.04 -0.81 1.39 0.59 0.98 0.00 0.00 173.24 175.43 2btl n ASN 128 N -2.23 3.97 -0.12 7.02 5.03 -1.26 -4.64 115.26 123.03 2btl n ASN 128 Ca 0.02 -2.48 -0.11 0.00 0.87 0.00 0.00 54.58 52.88 2btl n ASN 128 Cb 0.58 -0.56 -0.02 0.00 -1.02 0.00 0.00 39.78 38.75 2btl n ASN 128 CO 0.00 0.00 0.00 -0.61 -1.83 0.00 0.00 177.26 174.82 2btl h GLN 129 N 2.92 0.72 0.00 3.52 5.75 -1.99 -3.49 115.11 122.53 2btl h GLN 129 Ca 0.00 -0.29 0.00 0.00 -0.15 0.00 0.00 58.65 58.21 2btl h GLN 129 Cb 1.33 -0.03 0.00 0.00 1.07 0.00 0.00 27.48 29.85 2btl h GLN 129 CO 0.26 0.88 0.00 0.41 -2.65 0.00 0.00 178.83 177.73 2btl n GLY 130 N -0.14 0.41 3.75 2.39 0.00 -1.26 -4.92 105.19 105.42 2btl n GLY 130 Ca -0.02 -0.93 -0.31 0.00 0.00 0.00 0.00 46.02 44.76 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 1.37 -0.25 2.61 -4.23 -1.26 -4.92 115.64 108.96 2btl s THR 131 Ca 0.00 -1.95 -0.10 0.00 -1.18 0.00 0.00 61.69 58.45 2btl s THR 131 Cb 0.00 -2.33 -0.05 0.00 1.34 0.00 0.00 72.50 71.46 2btl s THR 131 CO 0.00 0.00 0.16 -0.60 -0.54 0.00 0.00 174.62 173.64 2btl s ARG 132 N -3.88 4.00 -0.38 3.99 3.52 -0.76 -4.92 118.95 120.53 2btl s ARG 132 Ca 0.14 -0.30 -0.29 0.00 -0.13 0.00 0.00 55.73 55.15 2btl s ARG 132 Cb 0.03 -3.56 0.01 0.00 -1.56 0.00 0.00 34.95 29.87 2btl s ARG 132 CO 0.07 -0.02 1.29 0.34 -0.81 0.00 0.00 175.30 176.17 2btl s ASP 133 N 1.29 6.56 0.00 -2.12 3.68 -1.26 -2.29 116.67 122.54 2btl s ASP 133 Ca 0.07 0.90 0.15 0.00 2.13 0.00 0.00 52.55 55.79 2btl s ASP 133 Cb -0.14 -2.54 0.74 0.00 -1.45 0.00 0.00 42.92 39.53 2btl s ASP 133 CO 0.06 -1.23 1.40 -0.81 0.13 0.00 0.00 175.17 174.73 2btl n PRO 134 N 7.67 0.21 0.07 4.34 -0.04 -1.26 -1.45 135.00 144.54 2btl n PRO 134 Ca 0.15 0.15 0.07 0.00 -0.04 0.00 0.00 63.50 63.82 2btl n PRO 134 Cb 0.48 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 32.39 2btl n PRO 134 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2btl n ASP 135 N -1.28 0.79 -0.14 3.54 8.00 -1.26 -4.49 116.55 121.71 2btl n ASP 135 Ca 0.07 0.32 -0.26 0.00 0.71 0.00 0.00 54.79 55.63 2btl n ASP 135 Cb 0.12 0.44 -0.10 0.00 -0.02 0.00 0.00 41.12 41.55 2btl n ASP 135 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 2btl n LYS 136 N -2.73 0.60 -5.04 -1.24 5.02 -0.56 -5.03 118.16 109.18 2btl n LYS 136 Ca -0.04 0.23 -0.27 0.00 -2.02 0.00 0.00 58.31 56.20 2btl n LYS 136 Cb 0.67 -1.49 -0.16 0.00 -0.02 0.00 0.00 35.03 34.03 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 -2.51 1.90 0.71 2.13 0.40 -0.52 -5.09 117.98 114.99 2btl s PHE 137 Ca -0.37 -0.36 -0.11 0.00 -0.60 0.00 0.00 56.93 55.49 2btl s PHE 137 Cb 0.13 -1.22 0.01 0.00 0.51 0.00 0.00 43.02 42.45 2btl s PHE 137 CO 0.52 -0.03 1.07 -0.51 0.70 0.00 0.00 175.22 176.96 2btl s ASP 138 N -0.50 5.32 0.39 1.36 1.11 -1.26 -4.37 116.67 118.73 2btl s ASP 138 Ca 0.08 1.48 -0.26 0.00 0.18 0.00 0.00 52.55 54.04 2btl s ASP 138 Cb -0.08 -2.35 -0.09 0.00 1.07 0.00 0.00 42.92 41.47 2btl s ASP 138 CO -0.01 -1.46 1.19 0.00 1.18 0.00 0.00 175.17 176.07 2btl s GLN 139 N -5.11 4.07 0.48 8.23 -2.07 -1.26 -5.00 119.66 118.99 2btl s GLN 139 Ca 0.58 1.89 -0.21 0.00 -1.82 0.00 0.00 55.36 55.80 2btl s GLN 139 Cb -0.13 -2.72 -0.08 0.00 -1.09 0.00 0.00 33.01 28.99 2btl s GLN 139 CO 0.54 -0.32 1.07 0.71 -1.32 0.00 0.00 175.29 175.98 2btl s TYR 140 N -1.38 2.96 0.45 9.60 4.12 0.15 -4.75 117.35 128.51 2btl s TYR 140 Ca 0.56 1.58 -0.23 0.00 0.02 0.00 0.00 57.07 59.00 2btl s TYR 140 Cb -0.32 -3.15 -0.08 0.00 -1.52 0.00 0.00 41.96 36.90 2btl s TYR 140 CO 0.40 -1.01 1.16 -1.25 0.02 0.00 0.00 175.55 174.88 2btl s PRO 141 N -3.07 3.80 -0.04 -1.71 0.04 -1.26 -1.89 135.00 130.87 2btl s PRO 141 Ca 0.66 1.78 -0.21 0.00 0.04 0.00 0.00 61.00 63.27 2btl s PRO 141 Cb -0.20 -2.44 -0.05 0.00 0.04 0.00 0.00 34.50 31.85 2btl s PRO 141 CO 0.24 -0.52 0.62 -0.51 0.04 0.00 0.00 177.00 176.88 2btl s LEU 142 N -2.95 4.37 -0.03 -3.56 1.43 -1.26 -4.87 118.68 111.80 2btl s LEU 142 Ca 0.63 1.14 -0.03 0.00 -1.03 0.00 0.00 54.13 54.84 2btl s LEU 142 Cb -0.29 -2.96 0.01 0.00 0.03 0.00 0.00 46.19 42.98 2btl s LEU 142 CO 0.35 0.01 0.09 -0.13 0.23 0.00 0.00 176.35 176.90 2btl s ARG 143 N 0.26 0.10 -0.47 1.70 1.81 -1.26 -5.00 118.95 116.09 2btl s ARG 143 Ca 0.33 0.14 0.03 0.00 -1.72 0.00 0.00 55.73 54.50 2btl s ARG 143 Cb -0.18 0.03 0.14 0.00 -0.45 0.00 0.00 34.95 34.49 2btl s ARG 143 CO 0.17 -0.03 0.27 -0.06 -0.68 0.00 0.00 175.30 174.97 2btl s PHE 144 N 0.14 2.22 0.12 -0.53 0.40 -1.26 -0.47 117.98 118.59 2btl s PHE 144 Ca -0.01 -2.60 0.34 0.00 -0.60 0.00 0.00 56.93 54.07 2btl s PHE 144 Cb -0.02 -2.02 1.52 0.00 0.51 0.00 0.00 43.02 43.01 2btl s PHE 144 CO -0.00 -0.76 2.01 0.77 0.70 0.00 0.00 175.22 177.94 2btl h SER 145 N 6.51 0.00 -0.38 1.36 0.02 -1.97 -2.13 113.55 116.96 2btl h SER 145 Ca 0.01 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.96 2btl h SER 145 Cb 0.91 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.45 2btl h SER 145 CO 0.52 0.00 0.00 -0.90 -1.14 0.00 0.00 176.83 175.31 2btl n ASP 146 N -2.93 3.42 0.00 3.07 5.75 -1.26 -5.05 116.55 119.55 2btl n ASP 146 Ca 0.00 -1.98 0.00 0.00 -0.01 0.00 0.00 54.79 52.80 2btl n ASP 146 Cb 0.24 -0.24 0.00 0.00 -1.03 0.00 0.00 41.12 40.09 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 1.45 -0.28 0.00 6.12 0.00 -0.80 -3.40 105.19 108.27 2btl n GLY 147 Ca 0.19 0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.26 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 1.75 3.77 -0.02 0.00 -0.43 -4.61 105.19 105.64 2btl n GLY 148 Ca 0.00 -1.99 -0.31 0.00 0.00 0.00 0.00 46.02 43.72 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 -1.38 2.21 1.25 1.61 0.04 -1.26 -0.82 135.00 136.65 2btl s PRO 149 Ca 0.00 1.13 -0.17 0.00 0.04 0.00 0.00 61.00 62.00 2btl s PRO 149 Cb 0.00 -1.89 0.31 0.00 0.04 0.00 0.00 34.50 32.95 2btl s PRO 149 CO 0.00 -1.67 1.01 0.16 0.04 0.00 0.00 177.00 176.54 2btl s ASP 150 N -3.41 0.41 0.00 6.66 -4.77 0.74 -4.83 116.67 111.46 2btl s ASP 150 Ca 0.61 1.10 0.15 0.00 -3.30 0.00 0.00 52.55 51.11 2btl s ASP 150 Cb -0.17 -1.65 0.70 0.00 -1.09 0.00 0.00 42.92 40.71 2btl s ASP 150 CO 0.56 -4.50 1.44 0.61 0.70 0.00 0.00 175.17 173.98 2btl n GLY 151 N 0.50 -0.87 0.15 2.12 0.00 -1.26 -1.85 105.19 103.98 2btl n GLY 151 Ca 0.08 -0.06 0.13 0.00 0.00 0.00 0.00 46.02 46.17 2btl n GLY 151 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 2btl h ASN 152 N 0.00 0.00 -2.91 1.61 2.35 -1.97 -3.46 115.58 111.20 2btl h ASN 152 Ca 0.00 0.00 -0.63 0.00 -0.55 0.00 0.00 56.30 55.12 2btl h ASN 152 Cb 0.19 0.00 -0.15 0.00 0.05 0.00 0.00 38.32 38.41 2btl h ASN 152 CO 0.00 0.00 -0.74 -0.36 -1.65 0.00 0.00 177.43 174.68 2btl s PHE 153 N -3.31 2.53 0.21 1.19 0.40 -0.77 -0.78 117.98 117.44 2btl s PHE 153 Ca 0.05 -0.27 -0.06 0.00 -0.60 0.00 0.00 56.93 56.06 2btl s PHE 153 Cb 0.10 -1.22 -0.02 0.00 0.51 0.00 0.00 43.02 42.39 2btl s PHE 153 CO 0.48 0.54 0.27 -0.98 0.70 0.00 0.00 175.22 176.23 2btl s ARG 154 N -2.92 1.30 0.15 0.44 1.70 0.55 -4.90 118.95 115.27 2btl s ARG 154 Ca 0.25 -1.41 -0.14 0.00 -0.47 0.00 0.00 55.73 53.96 2btl s ARG 154 Cb -0.08 0.36 0.02 0.00 -0.57 0.00 0.00 34.95 34.67 2btl s ARG 154 CO 0.14 -0.48 0.38 1.67 -1.08 0.00 0.00 175.30 175.93 2btl s TRP 155 N -4.07 0.01 0.35 5.89 -2.14 -1.26 0.53 118.94 118.25 2btl s TRP 155 Ca 0.29 -0.37 -0.25 0.00 2.66 0.00 0.00 56.10 58.43 2btl s TRP 155 Cb 0.04 0.18 -0.10 0.00 -3.10 0.00 0.00 33.47 30.48 2btl s TRP 155 CO 0.08 -0.74 0.95 -0.51 -2.66 0.00 0.00 176.95 174.07 2btl s ASP 156 N -2.87 7.24 0.07 -2.66 1.01 -1.26 -5.00 116.67 113.20 2btl s ASP 156 Ca 0.08 1.81 -0.31 0.00 0.71 0.00 0.00 52.55 54.84 2btl s ASP 156 Cb 0.02 -2.57 -0.07 0.00 1.01 0.00 0.00 42.92 41.31 2btl s ASP 156 CO -0.06 -0.14 1.39 0.12 0.21 0.00 0.00 175.17 176.69 2btl s PHE 157 N -1.75 3.10 -0.04 4.23 5.36 -1.26 -4.91 117.98 122.71 2btl s PHE 157 Ca 0.53 0.91 0.03 0.00 -0.96 0.00 0.00 56.93 57.43 2btl s PHE 157 Cb -0.16 -3.67 0.01 0.00 -0.34 0.00 0.00 43.02 38.85 2btl s PHE 157 CO 0.21 -2.39 -0.11 0.42 -1.46 0.00 0.00 175.22 171.89 2btl s ILE 158 N 1.57 0.95 0.44 3.12 1.01 -1.26 -5.14 121.20 121.89 2btl s ILE 158 Ca 0.64 -0.42 -0.23 0.00 0.00 0.00 0.00 60.65 60.64 2btl s ILE 158 Cb -0.35 -0.86 -0.08 0.00 0.01 0.00 0.00 42.46 41.18 2btl s ILE 158 CO 0.29 0.30 1.14 -2.16 0.00 0.00 0.00 174.94 174.51 2btl s PRO 159 N 0.39 3.88 0.00 2.79 0.04 -1.26 -4.87 135.00 135.97 2btl s PRO 159 Ca -0.08 1.73 0.09 0.00 0.04 0.00 0.00 61.00 62.78 2btl s PRO 159 Cb -0.12 -2.46 0.53 0.00 0.04 0.00 0.00 34.50 32.49 2btl s PRO 159 CO 0.02 -0.44 0.98 1.28 0.04 0.00 0.00 177.00 178.88