#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3djs n PRO 11 N 0.00 0.71 -3.87 0.00 -0.04 -1.26 -4.38 135.00 126.16 3djs n PRO 11 Ca 0.00 0.00 -0.30 0.00 -0.04 0.00 0.00 63.50 63.16 3djs n PRO 11 Cb 0.00 -1.39 -0.16 0.00 -0.04 0.00 0.00 33.50 31.92 3djs n PRO 11 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 3djs s LEU 12 N -1.77 2.23 0.09 1.53 2.96 -1.26 -0.33 118.68 122.13 3djs s LEU 12 Ca 0.26 -1.15 0.10 0.00 -0.22 0.00 0.00 54.13 53.12 3djs s LEU 12 Cb 0.12 -1.01 -0.04 0.00 0.50 0.00 0.00 46.19 45.77 3djs s LEU 12 CO 0.20 -0.27 -0.25 -0.04 -1.32 0.00 0.00 176.35 174.67 3djs s MET 13 N 1.52 1.65 -0.06 1.98 -1.94 -0.29 -4.83 119.30 117.33 3djs s MET 13 Ca -0.03 -1.21 0.03 0.00 -1.71 0.00 0.00 55.69 52.76 3djs s MET 13 Cb -0.18 -1.99 0.01 0.00 2.01 0.00 0.00 34.83 34.68 3djs s MET 13 CO -0.08 0.48 -0.13 0.08 -0.01 0.00 0.00 175.02 175.36 3djs s VAL 14 N -0.98 1.20 -0.06 -6.03 1.01 -1.26 -0.96 120.40 113.32 3djs s VAL 14 Ca 0.14 -0.52 0.02 0.00 0.00 0.00 0.00 61.98 61.61 3djs s VAL 14 Cb -0.10 -1.08 0.02 0.00 0.00 0.00 0.00 36.38 35.21 3djs s VAL 14 CO 0.05 0.37 -0.10 -1.59 0.00 0.00 0.00 175.10 173.83 3djs s LYS 15 N 0.56 1.48 -0.08 2.72 -2.85 -0.20 -1.00 119.74 120.39 3djs s LYS 15 Ca -0.13 -0.33 0.04 0.00 -1.00 0.00 0.00 55.97 54.54 3djs s LYS 15 Cb -0.15 -1.28 0.00 0.00 -2.06 0.00 0.00 37.83 34.34 3djs s LYS 15 CO 0.04 -0.02 -0.19 0.08 0.10 0.00 0.00 175.35 175.36 3djs s VAL 16 N 0.78 1.63 0.12 1.79 1.01 0.04 -0.68 120.40 125.09 3djs s VAL 16 Ca -0.13 -0.78 0.10 0.00 0.00 0.00 0.00 61.98 61.17 3djs s VAL 16 Cb -0.15 -1.42 -0.04 0.00 0.00 0.00 0.00 36.38 34.77 3djs s VAL 16 CO 0.02 0.46 -0.25 -0.76 0.00 0.00 0.00 175.10 174.57 3djs s LEU 17 N 0.38 2.31 -0.35 3.92 1.43 0.20 -0.89 118.68 125.67 3djs s LEU 17 Ca -0.14 -0.72 -0.11 0.00 -1.03 0.00 0.00 54.13 52.12 3djs s LEU 17 Cb -0.16 -1.12 0.00 0.00 0.03 0.00 0.00 46.19 44.94 3djs s LEU 17 CO 0.06 0.15 0.21 -0.62 0.23 0.00 0.00 176.35 176.37 3djs s ASP 18 N -1.97 5.80 0.01 2.29 -1.08 0.87 -0.75 116.67 121.85 3djs s ASP 18 Ca 0.12 -0.66 0.28 0.00 -0.52 0.00 0.00 52.55 51.76 3djs s ASP 18 Cb -0.10 -2.06 1.17 0.00 -1.46 0.00 0.00 42.92 40.47 3djs s ASP 18 CO 0.05 -0.29 1.89 0.00 0.52 0.00 0.00 175.17 177.35 3djs n ALA 19 N 5.04 2.28 0.09 3.66 0.00 0.16 -1.05 120.51 130.69 3djs n ALA 19 Ca -0.13 -0.09 -0.23 0.00 0.00 0.00 0.00 53.44 52.99 3djs n ALA 19 Cb 0.48 -1.45 -0.15 0.00 0.00 0.00 0.00 19.45 18.33 3djs n ALA 19 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3djs h VAL 20 N 0.00 1.22 0.00 0.00 2.07 -1.94 -3.39 116.25 114.21 3djs h VAL 20 Ca 0.00 -2.57 0.00 0.00 0.82 0.00 0.00 66.70 64.95 3djs h VAL 20 Cb 0.50 2.97 0.00 0.00 -1.52 0.00 0.00 31.29 33.24 3djs h VAL 20 CO 0.00 0.78 -1.68 0.54 0.02 0.00 0.00 177.57 177.23 3djs n ARG 21 N -3.82 0.48 -2.64 1.57 1.74 -1.22 -4.99 116.66 107.78 3djs n ARG 21 Ca -0.19 -0.13 -0.07 0.00 -0.77 0.00 0.00 57.85 56.68 3djs n ARG 21 Cb 1.00 -1.53 0.03 0.00 -1.02 0.00 0.00 32.46 30.95 3djs n ARG 21 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3djs n GLY 22 N 1.32 0.21 3.31 -0.13 0.00 -0.21 -5.04 105.19 104.66 3djs n GLY 22 Ca -0.02 -0.28 -0.09 0.00 0.00 0.00 0.00 46.02 45.63 3djs n GLY 22 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3djs s SER 23 N -3.40 0.05 0.62 1.61 1.04 -1.11 -5.01 113.70 107.51 3djs s SER 23 Ca 0.06 -0.83 -0.19 0.00 0.48 0.00 0.00 55.95 55.48 3djs s SER 23 Cb -0.03 0.42 -0.02 0.00 0.10 0.00 0.00 66.02 66.49 3djs s SER 23 CO 0.27 -0.86 1.25 -2.84 0.98 0.00 0.00 173.24 172.04 3djs s PRO 24 N -3.95 2.78 -0.45 4.02 0.02 -1.26 -0.09 135.00 136.08 3djs s PRO 24 Ca 0.15 1.95 -0.18 0.00 0.02 0.00 0.00 61.00 62.94 3djs s PRO 24 Cb 0.04 -1.90 0.03 0.00 0.02 0.00 0.00 34.50 32.69 3djs s PRO 24 CO -0.02 -1.39 0.51 0.00 -0.33 0.00 0.00 177.00 175.77 3djs s ALA 25 N -1.49 3.41 0.20 -1.55 0.00 -0.07 -4.57 121.76 117.69 3djs s ALA 25 Ca 0.80 -1.54 -0.03 0.00 0.00 0.00 0.00 51.96 51.18 3djs s ALA 25 Cb -0.34 -3.17 -0.05 0.00 0.00 0.00 0.00 23.12 19.56 3djs s ALA 25 CO 0.36 -1.73 0.43 0.42 0.00 0.00 0.00 175.76 175.24 3djs s ILE 26 N 2.34 5.14 -1.44 0.00 1.01 -1.26 -4.37 121.20 122.61 3djs s ILE 26 Ca 0.14 -0.11 0.00 0.00 0.00 0.00 0.00 60.65 60.68 3djs s ILE 26 Cb -0.17 -3.69 0.00 0.00 0.01 0.00 0.00 42.46 38.60 3djs s ILE 26 CO 0.14 -0.13 0.00 0.59 0.00 0.00 0.00 174.94 175.54 3djs n ASN 27 N -0.46 -4.71 -4.74 3.58 5.03 -0.71 -4.93 115.26 108.32 3djs n ASN 27 Ca -0.03 0.15 -0.39 0.00 0.87 0.00 0.00 54.58 55.18 3djs n ASN 27 Cb 0.53 -3.73 -0.05 0.00 -1.02 0.00 0.00 39.78 35.51 3djs n ASN 27 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 3djs s VAL 28 N -2.68 5.02 0.15 2.41 1.01 -1.26 -4.71 120.40 120.33 3djs s VAL 28 Ca 0.00 1.24 -0.30 0.00 0.00 0.00 0.00 61.98 62.92 3djs s VAL 28 Cb 0.00 -3.94 -0.07 0.00 0.00 0.00 0.00 36.38 32.37 3djs s VAL 28 CO 0.00 0.34 0.96 0.00 0.00 0.00 0.00 175.10 176.40 3djs s ALA 29 N 0.31 3.28 -0.06 5.51 0.00 -1.26 -0.87 121.76 128.66 3djs s ALA 29 Ca 0.32 0.60 0.01 0.00 0.00 0.00 0.00 51.96 52.89 3djs s ALA 29 Cb -0.17 -3.26 0.02 0.00 0.00 0.00 0.00 23.12 19.70 3djs s ALA 29 CO 0.16 0.03 -0.07 0.08 0.00 0.00 0.00 175.76 175.96 3djs s VAL 30 N -0.35 0.79 -0.05 0.00 1.01 -0.17 -1.09 120.40 120.55 3djs s VAL 30 Ca 0.45 -0.25 0.06 0.00 0.00 0.00 0.00 61.98 62.24 3djs s VAL 30 Cb -0.24 -0.78 -0.02 0.00 0.00 0.00 0.00 36.38 35.34 3djs s VAL 30 CO 0.31 0.29 -0.22 -1.00 0.00 0.00 0.00 175.10 174.48 3djs s HIS 31 N 1.00 2.49 -0.05 5.22 3.76 0.04 -1.26 115.29 126.48 3djs s HIS 31 Ca -0.09 -0.48 0.06 0.00 -0.15 0.00 0.00 55.06 54.40 3djs s HIS 31 Cb -0.14 -1.59 -0.01 0.00 1.11 0.00 0.00 32.58 31.94 3djs s HIS 31 CO -0.00 -0.05 -0.25 0.08 -0.85 0.00 0.00 174.74 173.67 3djs s VAL 32 N -0.43 2.07 0.11 -0.90 1.01 1.00 -0.12 120.40 123.13 3djs s VAL 32 Ca 0.04 -1.07 0.06 0.00 0.00 0.00 0.00 61.98 61.01 3djs s VAL 32 Cb -0.12 -1.74 -0.04 0.00 0.00 0.00 0.00 36.38 34.49 3djs s VAL 32 CO 0.01 0.57 -0.14 -0.36 0.00 0.00 0.00 175.10 175.18 3djs s PHE 33 N -0.20 1.37 -0.04 5.22 0.40 0.13 -0.36 117.98 124.50 3djs s PHE 33 Ca -0.02 -0.52 0.05 0.00 -0.60 0.00 0.00 56.93 55.83 3djs s PHE 33 Cb -0.13 -0.73 -0.01 0.00 0.51 0.00 0.00 43.02 42.66 3djs s PHE 33 CO 0.03 0.12 -0.19 0.50 0.70 0.00 0.00 175.22 176.39 3djs s ARG 34 N -2.37 1.90 0.03 0.44 3.52 0.28 -0.98 118.95 121.78 3djs s ARG 34 Ca 0.06 -0.67 -0.30 0.00 -0.13 0.00 0.00 55.73 54.68 3djs s ARG 34 Cb -0.07 -1.66 -0.06 0.00 -1.56 0.00 0.00 34.95 31.60 3djs s ARG 34 CO 0.03 0.29 1.43 0.21 -0.81 0.00 0.00 175.30 176.44 3djs s LYS 35 N -0.05 4.28 0.66 5.12 2.20 -0.03 -1.07 119.74 130.85 3djs s LYS 35 Ca -0.03 2.03 0.02 0.00 -0.36 0.00 0.00 55.97 57.63 3djs s LYS 35 Cb -0.11 -3.51 0.10 0.00 -1.51 0.00 0.00 37.83 32.80 3djs s LYS 35 CO 0.02 -0.56 0.91 0.00 -0.36 0.00 0.00 175.35 175.35 3djs s ALA 36 N 2.16 3.97 0.38 3.13 0.00 0.17 -4.72 121.76 126.85 3djs s ALA 36 Ca 0.65 -1.76 0.06 0.00 0.00 0.00 0.00 51.96 50.91 3djs s ALA 36 Cb -0.33 -1.89 0.78 0.00 0.00 0.00 0.00 23.12 21.68 3djs s ALA 36 CO 0.28 -1.19 2.02 0.00 0.00 0.00 0.00 175.76 176.87 3djs h ALA 37 N -0.26 1.68 -0.26 0.00 0.00 -1.94 -1.46 119.26 117.02 3djs h ALA 37 Ca -0.36 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.52 3djs h ALA 37 Cb 1.28 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.87 3djs h ALA 37 CO 0.42 0.27 0.00 -0.40 0.00 0.00 0.00 179.25 179.55 3djs n ASP 38 N -4.46 1.80 0.00 0.00 5.75 -1.26 -4.90 116.55 113.48 3djs n ASP 38 Ca 0.06 -2.09 0.00 0.00 -0.01 0.00 0.00 54.79 52.75 3djs n ASP 38 Cb 0.10 -0.28 0.00 0.00 -1.03 0.00 0.00 41.12 39.91 3djs n ASP 38 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 3djs n ASP 39 N 0.28 -0.52 -4.94 -1.12 9.92 -0.55 -5.04 116.55 114.59 3djs n ASP 39 Ca 0.09 0.00 -0.25 0.00 -0.53 0.00 0.00 54.79 54.11 3djs n ASP 39 Cb 0.33 -0.09 -0.02 0.00 -0.64 0.00 0.00 41.12 40.70 3djs n ASP 39 CO 0.00 0.00 0.00 0.42 0.13 0.00 0.00 177.20 177.75 3djs s THR 40 N -3.44 5.13 -0.24 -3.53 -4.23 -1.26 -4.79 115.64 103.27 3djs s THR 40 Ca 0.00 -0.43 -0.25 0.00 -1.18 0.00 0.00 61.69 59.84 3djs s THR 40 Cb 0.00 -3.82 -0.00 0.00 1.34 0.00 0.00 72.50 70.01 3djs s THR 40 CO 0.00 -0.44 0.84 0.26 -0.54 0.00 0.00 174.62 174.73 3djs s TRP 41 N -2.18 3.32 -0.19 3.99 0.52 -1.26 -0.65 118.94 122.48 3djs s TRP 41 Ca 0.40 1.15 -0.12 0.00 0.02 0.00 0.00 56.10 57.55 3djs s TRP 41 Cb -0.10 -3.05 -0.05 0.00 -1.15 0.00 0.00 33.47 29.12 3djs s TRP 41 CO 0.33 -0.40 0.20 -2.00 0.02 0.00 0.00 176.95 175.11 3djs s GLU 42 N 2.83 4.20 0.24 4.98 -6.30 -0.23 -4.90 118.70 119.52 3djs s GLU 42 Ca 0.35 -0.09 -0.31 0.00 -2.50 0.00 0.00 54.97 52.42 3djs s GLU 42 Cb -0.15 -3.44 -0.13 0.00 0.00 0.00 0.00 34.13 30.41 3djs s GLU 42 CO 0.07 0.24 1.43 -2.30 0.02 0.00 0.00 175.26 174.72 3djs n PRO 43 N 3.66 2.07 0.00 4.30 -0.02 -1.26 -0.56 135.00 143.18 3djs n PRO 43 Ca -0.14 0.74 0.00 0.00 -2.02 0.00 0.00 63.50 62.08 3djs n PRO 43 Cb 0.52 -2.40 0.00 0.00 -0.02 0.00 0.00 33.50 31.59 3djs n PRO 43 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 3djs n PHE 44 N 2.00 0.00 -3.52 6.00 7.35 0.52 -4.79 117.46 125.03 3djs n PHE 44 Ca 0.12 0.00 -0.08 0.00 -0.76 0.00 0.00 57.45 56.73 3djs n PHE 44 Cb 0.31 0.02 -0.02 0.00 0.35 0.00 0.00 39.48 40.14 3djs n PHE 44 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 3djs s ALA 45 N -1.92 -1.83 0.12 3.13 0.00 -0.82 -4.99 121.76 115.44 3djs s ALA 45 Ca 0.00 1.00 -0.25 0.00 0.00 0.00 0.00 51.96 52.71 3djs s ALA 45 Cb 0.00 0.40 0.07 0.00 0.00 0.00 0.00 23.12 23.60 3djs s ALA 45 CO 0.00 -0.70 0.76 -1.54 0.00 0.00 0.00 175.76 174.28 3djs s SER 46 N -2.49 -0.41 0.00 0.00 1.04 -1.26 -0.00 113.70 110.57 3djs s SER 46 Ca 0.05 -0.12 0.00 0.00 0.48 0.00 0.00 55.95 56.36 3djs s SER 46 Cb -0.01 0.53 0.00 0.00 0.10 0.00 0.00 66.02 66.64 3djs s SER 46 CO -0.08 -0.88 0.00 0.61 0.98 0.00 0.00 173.24 173.86 3djs n GLY 47 N -0.35 -1.27 3.34 7.32 0.00 -0.39 -4.97 105.19 108.87 3djs n GLY 47 Ca -0.11 -0.90 -0.29 0.00 0.00 0.00 0.00 46.02 44.72 3djs n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3djs s LYS 48 N -0.65 1.62 0.56 1.61 -0.14 -1.26 -1.00 119.74 120.47 3djs s LYS 48 Ca 0.00 -1.13 -0.19 0.00 -1.36 0.00 0.00 55.97 53.28 3djs s LYS 48 Cb 0.00 -1.85 -0.05 0.00 -1.68 0.00 0.00 37.83 34.24 3djs s LYS 48 CO 0.00 0.47 1.15 0.95 -0.76 0.00 0.00 175.35 177.16 3djs s THR 49 N -0.87 3.01 0.26 2.17 -4.23 -0.05 -4.11 115.64 111.82 3djs s THR 49 Ca 0.11 0.63 -0.03 0.00 -1.18 0.00 0.00 61.69 61.22 3djs s THR 49 Cb -0.10 -3.25 0.06 0.00 1.34 0.00 0.00 72.50 70.55 3djs s THR 49 CO 0.03 -0.14 0.35 -1.54 -0.54 0.00 0.00 174.62 172.78 3djs n SER 50 N -1.40 0.13 0.23 3.99 3.41 0.15 -1.74 113.62 118.39 3djs n SER 50 Ca 0.12 -1.19 0.16 0.00 -0.26 0.00 0.00 58.87 57.70 3djs n SER 50 Cb 0.51 -0.26 0.74 0.00 -0.26 0.00 0.00 64.21 64.94 3djs n SER 50 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 3djs h GLU 51 N 0.00 0.00 -0.29 4.33 4.39 -1.94 -0.65 114.58 120.42 3djs h GLU 51 Ca -0.11 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.59 3djs h GLU 51 Cb 0.34 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.99 3djs h GLU 51 CO 0.09 0.00 0.00 -1.13 -1.16 0.00 0.00 179.01 176.81 3djs n SER 52 N -2.73 2.45 -0.03 1.42 3.41 -1.26 -4.78 113.62 112.11 3djs n SER 52 Ca -0.00 -1.86 -0.00 0.00 -0.26 0.00 0.00 58.87 56.75 3djs n SER 52 Cb 0.19 -0.19 -0.00 0.00 -0.26 0.00 0.00 64.21 63.95 3djs n SER 52 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3djs n GLY 53 N 1.29 0.45 3.82 5.00 0.00 -0.25 -4.79 105.19 110.71 3djs n GLY 53 Ca 0.17 -0.12 -0.36 0.00 0.00 0.00 0.00 46.02 45.71 3djs n GLY 53 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3djs s GLU 54 N -0.53 3.28 -0.02 1.61 2.02 -1.26 -0.78 118.70 123.03 3djs s GLU 54 Ca 0.00 -0.26 -0.21 0.00 0.02 0.00 0.00 54.97 54.52 3djs s GLU 54 Cb 0.00 -3.04 -0.05 0.00 0.10 0.00 0.00 34.13 31.14 3djs s GLU 54 CO 0.00 0.74 0.63 -1.17 0.02 0.00 0.00 175.26 175.47 3djs s LEU 55 N -1.17 4.39 -1.34 1.80 0.20 -0.17 -0.68 118.68 121.72 3djs s LEU 55 Ca 0.17 1.18 -0.17 0.00 0.69 0.00 0.00 54.13 56.00 3djs s LEU 55 Cb -0.12 -2.97 0.06 0.00 -0.43 0.00 0.00 46.19 42.72 3djs s LEU 55 CO 0.06 0.05 1.88 1.57 -0.29 0.00 0.00 176.35 179.62 3djs n HIS 56 N 2.98 4.29 -3.59 5.38 -0.00 -1.26 -4.59 115.22 118.43 3djs n HIS 56 Ca -0.05 -2.84 -0.36 0.00 -0.00 0.00 0.00 57.72 54.47 3djs n HIS 56 Cb 0.51 -2.61 -0.08 0.00 -0.00 0.00 0.00 29.99 27.81 3djs n HIS 56 CO 0.00 0.00 0.00 0.20 -0.00 0.00 0.00 176.34 176.54 3djs s GLY 57 N 4.01 2.09 -0.36 1.57 0.00 -1.26 -4.87 107.32 108.50 3djs s GLY 57 Ca 0.52 -0.64 0.07 0.00 0.00 0.00 0.00 44.72 44.68 3djs s GLY 57 CO 0.04 0.41 1.73 -2.39 0.00 0.00 0.00 173.10 172.89 3djs n HIS 58 N 3.89 2.22 -2.12 1.90 1.44 -1.26 -4.77 115.22 116.52 3djs n HIS 58 Ca -0.13 -1.58 -0.40 0.00 -2.01 0.00 0.00 57.72 53.60 3djs n HIS 58 Cb 0.52 -0.72 -0.02 0.00 0.12 0.00 0.00 29.99 29.89 3djs n HIS 58 CO 0.00 0.00 0.00 0.99 -2.81 0.00 0.00 176.34 174.52 3djs s THR 59 N -3.19 2.73 0.24 0.61 2.01 -1.26 -5.05 115.64 111.73 3djs s THR 59 Ca 0.52 0.73 0.07 0.00 0.31 0.00 0.00 61.69 63.32 3djs s THR 59 Cb 0.44 -3.46 -0.04 0.00 0.01 0.00 0.00 72.50 69.46 3djs s THR 59 CO 0.08 0.16 0.20 0.28 -0.69 0.00 0.00 174.62 174.65 3djs s THR 60 N -1.16 4.50 0.35 -0.82 -1.32 -1.26 -4.18 115.64 111.74 3djs s THR 60 Ca 0.50 -1.34 0.03 0.00 -1.21 0.00 0.00 61.69 59.67 3djs s THR 60 Cb -0.39 -3.42 0.22 0.00 -1.51 0.00 0.00 72.50 67.40 3djs s THR 60 CO 0.52 -0.32 1.96 -0.08 -2.21 0.00 0.00 174.62 174.48 3djs h GLU 61 N 1.58 0.69 0.00 7.08 4.81 -1.96 -2.73 114.58 124.05 3djs h GLU 61 Ca -0.49 -0.08 -0.00 0.00 -0.13 0.00 0.00 59.36 58.66 3djs h GLU 61 Cb 1.23 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 30.48 3djs h GLU 61 CO 0.61 0.54 -0.00 1.49 -0.73 0.00 0.00 179.01 180.92 3djs h GLU 62 N 0.70 -0.01 0.00 1.92 4.57 -2.03 -3.06 114.58 116.67 3djs h GLU 62 Ca 0.17 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.36 3djs h GLU 62 Cb 0.08 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.67 3djs h GLU 62 CO -0.02 0.02 0.00 1.05 -1.18 0.00 0.00 179.01 178.87 3djs h GLU 63 N -0.03 0.00 -3.85 1.92 4.11 -1.95 -3.38 114.58 111.40 3djs h GLU 63 Ca -0.00 0.00 -0.72 0.00 0.07 0.00 0.00 59.36 58.71 3djs h GLU 63 Cb 0.03 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.21 3djs h GLU 63 CO 0.00 0.00 2.91 0.34 0.07 0.00 0.00 179.01 182.33 3djs n PHE 64 N -2.38 3.37 -2.09 2.06 7.35 -1.04 -4.97 117.46 119.76 3djs n PHE 64 Ca 0.05 -2.94 -0.28 0.00 -0.76 0.00 0.00 57.45 53.52 3djs n PHE 64 Cb 0.43 -2.42 0.15 0.00 0.35 0.00 0.00 39.48 37.99 3djs n PHE 64 CO 0.00 0.00 0.00 0.14 -0.76 0.00 0.00 176.76 176.14 3djs s VAL 65 N 2.53 2.05 0.46 -2.13 -7.23 -1.26 -4.96 120.40 109.87 3djs s VAL 65 Ca 0.46 -0.15 -0.24 0.00 -1.81 0.00 0.00 61.98 60.24 3djs s VAL 65 Cb 0.13 -2.91 -0.08 0.00 0.56 0.00 0.00 36.38 34.08 3djs s VAL 65 CO -0.07 0.00 1.28 1.21 -0.31 0.00 0.00 175.10 177.21 3djs n GLU 66 N -3.45 1.83 -3.85 4.82 4.07 -1.26 -4.80 120.64 118.01 3djs n GLU 66 Ca 0.14 0.66 0.00 0.00 -0.06 0.00 0.00 57.16 57.89 3djs n GLU 66 Cb 0.60 -2.43 0.00 0.00 -0.06 0.00 0.00 31.44 29.55 3djs n GLU 66 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 3djs n GLY 67 N 0.82 -1.82 3.65 8.31 0.00 -0.94 -4.99 105.19 110.22 3djs n GLY 67 Ca 0.08 -1.20 -0.38 0.00 0.00 0.00 0.00 46.02 44.51 3djs n GLY 67 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3djs s ILE 68 N -2.65 5.22 0.13 -0.61 1.01 -1.26 -0.42 121.20 122.62 3djs s ILE 68 Ca 0.00 0.56 0.07 0.00 0.00 0.00 0.00 60.65 61.28 3djs s ILE 68 Cb 0.00 -3.68 -0.04 0.00 0.01 0.00 0.00 42.46 38.75 3djs s ILE 68 CO 0.00 0.24 -0.05 -0.31 0.00 0.00 0.00 174.94 174.82 3djs s TYR 69 N 1.50 2.80 -0.08 3.97 1.51 0.96 -0.85 117.35 127.15 3djs s TYR 69 Ca 0.16 -0.14 0.02 0.00 -1.01 0.00 0.00 57.07 56.10 3djs s TYR 69 Cb -0.15 -1.41 0.01 0.00 -0.11 0.00 0.00 41.96 40.30 3djs s TYR 69 CO 0.08 0.47 -0.14 0.21 -1.11 0.00 0.00 175.55 175.06 3djs s LYS 70 N -2.53 2.01 -0.25 -0.62 2.20 -0.15 -1.37 119.74 119.03 3djs s LYS 70 Ca 0.24 -0.51 -0.05 0.00 -0.36 0.00 0.00 55.97 55.30 3djs s LYS 70 Cb -0.10 -1.66 -0.00 0.00 -1.51 0.00 0.00 37.83 34.55 3djs s LYS 70 CO 0.16 0.01 0.02 0.08 -0.36 0.00 0.00 175.35 175.26 3djs s VAL 71 N 0.77 3.69 -0.19 4.02 1.01 0.18 -0.69 120.40 129.19 3djs s VAL 71 Ca -0.12 -0.56 -0.02 0.00 0.00 0.00 0.00 61.98 61.28 3djs s VAL 71 Cb -0.16 -2.79 -0.01 0.00 0.00 0.00 0.00 36.38 33.43 3djs s VAL 71 CO 0.02 0.27 -0.08 -0.70 0.00 0.00 0.00 175.10 174.60 3djs s GLU 72 N 1.49 3.34 -0.20 2.72 2.12 0.83 -0.71 118.70 128.30 3djs s GLU 72 Ca 0.04 -0.66 -0.04 0.00 0.36 0.00 0.00 54.97 54.67 3djs s GLU 72 Cb -0.16 -2.85 -0.01 0.00 0.26 0.00 0.00 34.13 31.37 3djs s GLU 72 CO -0.00 -0.07 -0.04 0.42 -0.54 0.00 0.00 175.26 175.02 3djs s ILE 73 N 1.11 3.53 -1.33 -3.70 1.01 0.21 -0.78 121.20 121.26 3djs s ILE 73 Ca 0.01 -0.45 -0.15 0.00 0.00 0.00 0.00 60.65 60.05 3djs s ILE 73 Cb -0.15 -2.59 0.09 0.00 0.01 0.00 0.00 42.46 39.83 3djs s ILE 73 CO -0.02 0.44 1.84 -0.67 0.00 0.00 0.00 174.94 176.53 3djs n ASP 74 N 4.40 4.71 0.08 3.58 2.03 -0.25 -1.03 116.55 130.07 3djs n ASP 74 Ca -0.18 -2.93 -0.06 0.00 0.52 0.00 0.00 54.79 52.15 3djs n ASP 74 Cb 0.51 -1.66 0.11 0.00 -0.72 0.00 0.00 41.12 39.36 3djs n ASP 74 CO 0.00 0.00 0.00 0.71 -1.92 0.00 0.00 177.20 175.99 3djs h THR 75 N 4.77 1.39 -0.28 5.18 1.35 -1.88 -3.14 112.91 120.30 3djs h THR 75 Ca 0.45 -2.01 -0.02 0.00 -0.55 0.00 0.00 66.41 64.28 3djs h THR 75 Cb 0.78 2.02 -0.01 0.00 -1.73 0.00 0.00 68.15 69.21 3djs h THR 75 CO 1.56 0.60 0.09 0.50 -0.25 0.00 0.00 175.52 178.01 3djs h LYS 76 N 0.19 0.44 -0.38 4.72 3.64 -1.74 -1.94 116.57 121.50 3djs h LYS 76 Ca -0.01 -0.09 -0.04 0.00 -1.27 0.00 0.00 60.65 59.23 3djs h LYS 76 Cb 1.14 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.88 3djs h LYS 76 CO 0.10 0.50 0.06 0.77 -2.27 0.00 0.00 179.45 178.61 3djs h SER 77 N 0.29 0.54 0.11 4.20 0.02 -1.85 -0.50 113.55 116.35 3djs h SER 77 Ca 0.09 -0.09 0.01 0.00 -0.84 0.00 0.00 61.79 60.96 3djs h SER 77 Cb 0.24 -0.14 -0.02 0.00 0.14 0.00 0.00 62.40 62.63 3djs h SER 77 CO -0.00 0.57 -0.15 0.22 -1.14 0.00 0.00 176.83 176.32 3djs h TYR 78 N 0.56 -0.39 -0.46 3.45 3.20 -1.39 -2.26 116.97 119.69 3djs h TYR 78 Ca 0.13 0.00 -0.13 0.00 3.14 0.00 0.00 58.73 61.87 3djs h TYR 78 Cb 0.27 0.16 -0.01 0.00 1.54 0.00 0.00 36.73 38.68 3djs h TYR 78 CO 0.01 -0.22 -0.22 -1.49 -1.64 0.00 0.00 178.16 174.60 3djs h TRP 79 N -0.31 1.08 -0.75 -3.82 4.06 -1.06 -3.09 115.95 112.07 3djs h TRP 79 Ca 0.02 -0.26 -0.02 0.00 2.06 0.00 0.00 58.89 60.68 3djs h TRP 79 Cb 0.31 -0.25 -0.04 0.00 -1.00 0.00 0.00 29.16 28.18 3djs h TRP 79 CO -0.15 1.06 0.37 0.87 -3.56 0.00 0.00 178.44 177.04 3djs h LYS 80 N 0.82 1.06 0.00 0.49 1.57 -0.92 -0.49 116.57 119.09 3djs h LYS 80 Ca 0.11 -0.14 -0.01 0.00 -1.87 0.00 0.00 60.65 58.74 3djs h LYS 80 Cb 0.78 -0.20 -0.00 0.00 0.08 0.00 0.00 32.23 32.89 3djs h LYS 80 CO 0.06 0.80 -0.06 0.00 -0.57 0.00 0.00 179.45 179.68 3djs h ALA 81 N 1.35 1.12 -0.50 3.86 0.00 -1.32 -0.97 119.26 122.80 3djs h ALA 81 Ca 0.26 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.11 3djs h ALA 81 Cb 0.09 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.86 3djs h ALA 81 CO -0.04 0.08 0.00 1.28 0.00 0.00 0.00 179.25 180.57 3djs n LEU 82 N -3.34 3.25 0.00 0.00 4.77 -0.32 -4.94 117.00 116.42 3djs n LEU 82 Ca -0.01 -1.53 0.00 0.00 -0.03 0.00 0.00 56.01 54.44 3djs n LEU 82 Cb 0.23 -0.33 0.00 0.00 -2.33 0.00 0.00 43.42 40.99 3djs n LEU 82 CO 0.27 0.76 0.00 0.61 -1.33 0.00 0.00 177.39 177.70 3djs n GLY 83 N 1.47 0.75 3.66 -0.72 0.00 -0.37 -5.05 105.19 104.93 3djs n GLY 83 Ca 0.20 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.87 3djs n GLY 83 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3djs s ILE 84 N -2.50 4.36 -0.46 -0.61 1.01 -0.47 -4.98 121.20 117.54 3djs s ILE 84 Ca 0.00 -0.22 -0.15 0.00 0.00 0.00 0.00 60.65 60.28 3djs s ILE 84 Cb 0.00 -2.86 0.06 0.00 0.01 0.00 0.00 42.46 39.67 3djs s ILE 84 CO 0.00 0.57 0.37 -0.44 0.00 0.00 0.00 174.94 175.44 3djs s SER 85 N -0.55 6.13 0.70 3.58 0.01 -1.26 -2.80 113.70 119.51 3djs s SER 85 Ca 0.10 -1.23 -0.03 0.00 1.31 0.00 0.00 55.95 56.09 3djs s SER 85 Cb -0.12 -2.17 0.10 0.00 0.21 0.00 0.00 66.02 64.03 3djs s SER 85 CO 0.02 -0.60 0.98 -2.16 0.41 0.00 0.00 173.24 171.89 3djs s PRO 86 N 1.65 1.90 -0.12 12.44 0.04 -1.26 -5.01 135.00 144.64 3djs s PRO 86 Ca 0.04 -0.75 -0.28 0.00 0.04 0.00 0.00 61.00 60.05 3djs s PRO 86 Cb -0.23 -2.28 -0.25 0.00 0.04 0.00 0.00 34.50 31.78 3djs s PRO 86 CO 0.07 -1.32 0.84 0.35 0.04 0.00 0.00 177.00 176.98 3djs h PHE 87 N -0.52 0.02 -3.67 0.56 3.57 -1.57 -3.47 116.94 111.86 3djs h PHE 87 Ca -0.41 -0.01 -0.50 0.00 3.53 0.00 0.00 57.97 60.58 3djs h PHE 87 Cb 1.28 -0.00 -0.03 0.00 2.79 0.00 0.00 35.95 39.99 3djs h PHE 87 CO -0.03 0.95 0.12 -1.01 -2.23 0.00 0.00 178.31 176.11 3djs s HIS 88 N -2.49 3.53 0.17 0.41 3.76 -1.26 -4.99 115.29 114.42 3djs s HIS 88 Ca -0.18 1.35 -0.06 0.00 -0.15 0.00 0.00 55.06 56.02 3djs s HIS 88 Cb -0.02 -2.61 0.04 0.00 1.11 0.00 0.00 32.58 31.10 3djs s HIS 88 CO 0.69 0.22 1.46 0.93 -0.85 0.00 0.00 174.74 177.19 3djs h GLU 89 N 2.88 0.63 -2.55 1.40 4.39 -1.98 -3.38 114.58 115.98 3djs h GLU 89 Ca -0.48 -0.42 0.14 0.00 0.34 0.00 0.00 59.36 58.94 3djs h GLU 89 Cb 1.19 0.06 -0.04 0.00 -0.10 0.00 0.00 28.75 29.85 3djs h GLU 89 CO 0.65 1.04 0.53 -3.38 -1.16 0.00 0.00 179.01 176.69 3djs s HIS 90 N -3.96 0.04 -0.17 4.33 -3.43 -1.26 -3.50 115.29 107.34 3djs s HIS 90 Ca -0.08 -0.45 0.00 0.00 -0.80 0.00 0.00 55.06 53.73 3djs s HIS 90 Cb 0.11 0.71 0.00 0.00 -1.43 0.00 0.00 32.58 31.97 3djs s HIS 90 CO 0.86 -0.98 -0.15 0.00 -2.00 0.00 0.00 174.74 172.46 3djs s ALA 91 N -2.41 2.48 -0.07 -1.38 0.00 -0.20 -4.86 121.76 115.32 3djs s ALA 91 Ca 0.19 -1.11 0.01 0.00 0.00 0.00 0.00 51.96 51.05 3djs s ALA 91 Cb -0.03 -1.26 -0.03 0.00 0.00 0.00 0.00 23.12 21.80 3djs s ALA 91 CO 0.05 -0.17 -0.09 -1.21 0.00 0.00 0.00 175.76 174.35 3djs s GLU 92 N 1.03 2.76 -0.12 0.00 2.02 -1.26 -0.62 118.70 122.52 3djs s GLU 92 Ca -0.01 -0.58 0.01 0.00 0.02 0.00 0.00 54.97 54.40 3djs s GLU 92 Cb -0.15 -2.56 0.02 0.00 0.10 0.00 0.00 34.13 31.54 3djs s GLU 92 CO -0.04 0.62 -0.13 0.08 0.02 0.00 0.00 175.26 175.81 3djs s VAL 93 N -0.69 1.38 -0.09 2.63 1.01 0.11 -4.98 120.40 119.77 3djs s VAL 93 Ca 0.10 -0.54 0.04 0.00 0.00 0.00 0.00 61.98 61.59 3djs s VAL 93 Cb -0.11 -1.30 0.00 0.00 0.00 0.00 0.00 36.38 34.97 3djs s VAL 93 CO 0.01 0.42 -0.21 -0.69 0.00 0.00 0.00 175.10 174.63 3djs s VAL 94 N 1.31 1.83 -0.04 2.92 1.01 -1.26 -0.64 120.40 125.52 3djs s VAL 94 Ca -0.00 -0.90 -0.27 0.00 0.00 0.00 0.00 61.98 60.81 3djs s VAL 94 Cb -0.14 -1.59 0.06 0.00 0.00 0.00 0.00 36.38 34.71 3djs s VAL 94 CO -0.06 0.51 0.60 0.72 0.00 0.00 0.00 175.10 176.87 3djs s PHE 95 N 0.34 -0.55 0.08 5.22 -0.71 -0.47 -4.99 117.98 116.90 3djs s PHE 95 Ca -0.16 0.95 -0.30 0.00 -1.04 0.00 0.00 56.93 56.38 3djs s PHE 95 Cb -0.17 0.34 -0.05 0.00 -1.21 0.00 0.00 43.02 41.93 3djs s PHE 95 CO 0.07 -0.56 0.96 0.99 -1.34 0.00 0.00 175.22 175.34 3djs s THR 96 N -1.20 4.59 0.11 -4.49 2.01 -1.26 -0.03 115.64 115.37 3djs s THR 96 Ca -0.11 2.06 0.10 0.00 0.31 0.00 0.00 61.69 64.05 3djs s THR 96 Cb -0.01 -4.32 -0.04 0.00 0.01 0.00 0.00 72.50 68.14 3djs s THR 96 CO 0.09 0.28 -0.26 0.00 -0.69 0.00 0.00 174.62 174.04 3djs s ALA 97 N 0.23 2.30 -1.74 7.40 0.00 0.44 -4.79 121.76 125.60 3djs s ALA 97 Ca 0.48 -1.40 -0.01 0.00 0.00 0.00 0.00 51.96 51.03 3djs s ALA 97 Cb -0.23 -0.39 0.00 0.00 0.00 0.00 0.00 23.12 22.51 3djs s ALA 97 CO 0.29 0.52 0.12 0.09 0.00 0.00 0.00 175.76 176.79 3djs n ASN 98 N 1.12 -5.95 0.24 0.00 3.02 -1.26 -2.21 115.26 110.22 3djs n ASN 98 Ca -0.18 -0.07 0.12 0.00 -0.03 0.00 0.00 54.58 54.43 3djs n ASN 98 Cb 0.53 -4.93 0.47 0.00 -0.61 0.00 0.00 39.78 35.24 3djs n ASN 98 CO 0.00 0.00 0.00 -2.24 -2.62 0.00 0.00 177.26 172.40 3djs h ASP 99 N -0.28 0.00 -0.04 6.41 2.03 -1.92 -3.00 116.42 119.63 3djs h ASP 99 Ca -0.50 0.00 -0.05 0.00 -0.73 0.00 0.00 57.03 55.75 3djs h ASP 99 Cb 1.37 0.00 -0.06 0.00 -0.83 0.00 0.00 39.33 39.80 3djs h ASP 99 CO 0.58 0.13 -0.58 -1.20 -1.03 0.00 0.00 179.24 177.14 3djs n SER 100 N -3.23 1.78 0.00 4.15 7.64 -1.26 -5.08 113.62 117.62 3djs n SER 100 Ca 0.01 -3.68 0.00 0.00 1.01 0.00 0.00 58.87 56.21 3djs n SER 100 Cb 0.42 -0.50 0.00 0.00 -1.01 0.00 0.00 64.21 63.12 3djs n SER 100 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3djs n GLY 101 N -0.92 2.38 3.74 0.23 0.00 -1.13 -5.04 105.19 104.44 3djs n GLY 101 Ca 0.19 -2.05 -0.42 0.00 0.00 0.00 0.00 46.02 43.74 3djs n GLY 101 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3djs s PRO 102 N -2.33 4.18 0.20 1.61 0.02 -1.26 -4.24 135.00 133.18 3djs s PRO 102 Ca 0.00 2.46 0.02 0.00 0.02 0.00 0.00 61.00 63.51 3djs s PRO 102 Cb 0.00 -3.07 -0.05 0.00 0.02 0.00 0.00 34.50 31.40 3djs s PRO 102 CO 0.00 -0.57 0.00 1.03 -0.33 0.00 0.00 177.00 177.13 3djs s ARG 103 N -0.12 1.20 -0.15 5.54 1.81 -1.26 -4.73 118.95 121.23 3djs s ARG 103 Ca 0.64 -1.59 -0.06 0.00 -1.72 0.00 0.00 55.73 53.00 3djs s ARG 103 Cb -0.45 -0.39 -0.04 0.00 -0.45 0.00 0.00 34.95 33.61 3djs s ARG 103 CO 0.43 -0.12 0.05 1.03 -0.68 0.00 0.00 175.30 176.01 3djs s ARG 104 N -3.90 3.68 -0.06 3.54 0.52 -0.50 -4.88 118.95 117.34 3djs s ARG 104 Ca 0.26 -0.34 0.06 0.00 -0.52 0.00 0.00 55.73 55.19 3djs s ARG 104 Cb 0.06 -3.10 -0.01 0.00 0.52 0.00 0.00 34.95 32.41 3djs s ARG 104 CO 0.06 0.43 -0.24 0.71 0.02 0.00 0.00 175.30 176.28 3djs s TYR 105 N -0.09 2.47 -0.20 -0.53 1.51 0.55 -1.39 117.35 119.67 3djs s TYR 105 Ca 0.06 -0.75 0.01 0.00 -1.01 0.00 0.00 57.07 55.39 3djs s TYR 105 Cb -0.12 -1.62 0.03 0.00 -0.11 0.00 0.00 41.96 40.15 3djs s TYR 105 CO 0.01 -0.23 -0.15 0.99 -1.11 0.00 0.00 175.55 175.06 3djs s THR 106 N -0.11 1.94 -0.34 -0.71 2.01 -0.04 -1.13 115.64 117.26 3djs s THR 106 Ca -0.05 -1.08 -0.15 0.00 0.31 0.00 0.00 61.69 60.72 3djs s THR 106 Cb -0.14 -1.88 -0.01 0.00 0.01 0.00 0.00 72.50 70.47 3djs s THR 106 CO 0.04 0.32 0.33 -0.63 -0.69 0.00 0.00 174.62 173.99 3djs s ILE 107 N 1.29 5.20 -0.10 1.82 -1.09 -0.13 -1.23 121.20 126.96 3djs s ILE 107 Ca 0.00 -0.02 -0.03 0.00 -2.23 0.00 0.00 60.65 58.38 3djs s ILE 107 Cb -0.15 -3.79 -0.03 0.00 -1.58 0.00 0.00 42.46 36.90 3djs s ILE 107 CO -0.10 -0.07 0.01 0.00 -1.23 0.00 0.00 174.94 173.55 3djs s ALA 108 N 1.94 3.31 -0.06 9.38 0.00 0.07 -1.03 121.76 135.38 3djs s ALA 108 Ca 0.10 -0.79 0.03 0.00 0.00 0.00 0.00 51.96 51.30 3djs s ALA 108 Cb -0.17 -1.54 0.01 0.00 0.00 0.00 0.00 23.12 21.41 3djs s ALA 108 CO 0.11 0.54 -0.14 0.00 0.00 0.00 0.00 175.76 176.27 3djs s ALA 109 N -0.74 1.36 -0.21 0.00 0.00 0.14 -0.85 121.76 121.46 3djs s ALA 109 Ca 0.12 -0.53 -0.03 0.00 0.00 0.00 0.00 51.96 51.51 3djs s ALA 109 Cb -0.12 -0.53 -0.01 0.00 0.00 0.00 0.00 23.12 22.47 3djs s ALA 109 CO 0.02 0.19 -0.06 -1.17 0.00 0.00 0.00 175.76 174.74 3djs s LEU 110 N 0.37 2.80 -0.15 0.00 2.96 -0.08 -0.63 118.68 123.95 3djs s LEU 110 Ca -0.10 -0.42 -0.05 0.00 -0.22 0.00 0.00 54.13 53.34 3djs s LEU 110 Cb -0.14 -1.71 -0.03 0.00 0.50 0.00 0.00 46.19 44.81 3djs s LEU 110 CO 0.03 -0.02 0.00 -0.76 -1.32 0.00 0.00 176.35 174.29 3djs s LEU 111 N 1.44 3.48 0.17 -0.68 1.43 0.07 -1.61 118.68 122.98 3djs s LEU 111 Ca 0.05 -0.02 0.06 0.00 -1.03 0.00 0.00 54.13 53.19 3djs s LEU 111 Cb -0.14 -1.85 -0.05 0.00 0.03 0.00 0.00 46.19 44.19 3djs s LEU 111 CO -0.04 0.20 -0.12 -0.44 0.23 0.00 0.00 176.35 176.18 3djs s SER 112 N 0.20 2.13 0.31 2.29 0.01 0.57 -0.66 113.70 118.54 3djs s SER 112 Ca 0.00 -1.01 0.05 0.00 1.31 0.00 0.00 55.95 56.31 3djs s SER 112 Cb -0.13 -0.07 0.70 0.00 0.21 0.00 0.00 66.02 66.73 3djs s SER 112 CO 0.02 -0.26 1.83 -0.65 0.41 0.00 0.00 173.24 174.59 3djs h PRO 113 N 2.71 0.81 -0.14 12.44 0.11 -1.99 -2.88 132.00 143.05 3djs h PRO 113 Ca -0.37 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.69 3djs h PRO 113 Cb 1.20 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 32.13 3djs h PRO 113 CO 0.62 0.53 0.00 0.66 -0.21 0.00 0.00 178.00 179.61 3djs n TYR 114 N -4.64 0.46 -3.56 0.65 4.02 -1.26 -1.35 117.16 111.47 3djs n TYR 114 Ca 0.20 -0.86 -0.16 0.00 -0.01 0.00 0.00 57.90 57.07 3djs n TYR 114 Cb 0.46 -0.20 -0.06 0.00 -0.02 0.00 0.00 39.34 39.52 3djs n TYR 114 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 3djs s SER 115 N -2.14 -0.67 0.06 7.72 0.15 -1.09 -4.96 113.70 112.77 3djs s SER 115 Ca 0.33 0.94 -0.09 0.00 0.70 0.00 0.00 55.95 57.83 3djs s SER 115 Cb 0.27 0.83 0.00 0.00 -1.71 0.00 0.00 66.02 65.42 3djs s SER 115 CO 0.06 -0.47 0.20 -0.72 1.20 0.00 0.00 173.24 173.51 3djs s TYR 116 N -0.65 0.09 0.06 3.44 -0.85 -1.26 -0.32 117.35 117.86 3djs s TYR 116 Ca -0.07 -0.41 0.06 0.00 -0.52 0.00 0.00 57.07 56.13 3djs s TYR 116 Cb -0.02 -0.04 -0.03 0.00 0.38 0.00 0.00 41.96 42.26 3djs s TYR 116 CO 0.06 -0.49 -0.16 -1.54 -1.52 0.00 0.00 175.55 171.90 3djs s SER 117 N -2.46 1.95 -0.01 -0.18 1.04 -0.63 -4.98 113.70 108.42 3djs s SER 117 Ca -0.00 -0.56 0.02 0.00 0.48 0.00 0.00 55.95 55.89 3djs s SER 117 Cb 0.02 -0.11 -0.00 0.00 0.10 0.00 0.00 66.02 66.03 3djs s SER 117 CO -0.07 0.02 -0.08 0.28 0.98 0.00 0.00 173.24 174.37 3djs s THR 118 N -1.03 0.65 0.06 2.02 -1.32 -1.26 -0.90 115.64 113.85 3djs s THR 118 Ca 0.02 -0.34 0.03 0.00 -1.21 0.00 0.00 61.69 60.19 3djs s THR 118 Cb -0.09 -0.55 -0.03 0.00 -1.51 0.00 0.00 72.50 70.32 3djs s THR 118 CO 0.02 0.19 -0.10 -0.89 -2.21 0.00 0.00 174.62 171.63 3djs s THR 119 N -0.13 0.77 -0.05 5.08 2.01 -0.03 -4.98 115.64 118.31 3djs s THR 119 Ca 0.02 -1.31 0.05 0.00 0.31 0.00 0.00 61.69 60.76 3djs s THR 119 Cb -0.04 -0.95 -0.01 0.00 0.01 0.00 0.00 72.50 71.51 3djs s THR 119 CO -0.00 -0.42 -0.21 0.00 -0.69 0.00 0.00 174.62 173.30 3djs s ALA 120 N -1.74 1.84 -0.16 7.40 0.00 -1.26 -0.75 121.76 127.10 3djs s ALA 120 Ca -0.03 -0.87 -0.02 0.00 0.00 0.00 0.00 51.96 51.04 3djs s ALA 120 Cb -0.07 -0.58 -0.01 0.00 0.00 0.00 0.00 23.12 22.45 3djs s ALA 120 CO 0.00 0.35 -0.10 0.08 0.00 0.00 0.00 175.76 176.10 3djs s VAL 121 N -0.08 3.24 -0.17 0.00 1.01 -0.37 -4.98 120.40 119.06 3djs s VAL 121 Ca -0.03 -0.58 0.01 0.00 0.00 0.00 0.00 61.98 61.38 3djs s VAL 121 Cb -0.12 -2.40 0.01 0.00 0.00 0.00 0.00 36.38 33.87 3djs s VAL 121 CO 0.03 0.50 -0.19 -0.69 0.00 0.00 0.00 175.10 174.75 3djs s VAL 122 N 0.64 2.23 0.11 2.92 1.01 -1.26 -0.86 120.40 125.19 3djs s VAL 122 Ca -0.05 -0.90 0.10 0.00 0.00 0.00 0.00 61.98 61.12 3djs s VAL 122 Cb -0.15 -1.93 -0.04 0.00 0.00 0.00 0.00 36.38 34.26 3djs s VAL 122 CO 0.03 0.53 -0.24 0.42 0.00 0.00 0.00 175.10 175.83 3djs s THR 123 N 1.11 2.00 -0.47 3.92 -4.23 -0.48 -4.98 115.64 112.52 3djs s THR 123 Ca 0.00 -1.60 -0.08 0.00 -1.18 0.00 0.00 61.69 58.83 3djs s THR 123 Cb -0.14 -1.78 0.12 0.00 1.34 0.00 0.00 72.50 72.04 3djs s THR 123 CO -0.08 0.07 0.33 0.21 -0.54 0.00 0.00 174.62 174.61 3djs s ASN 124 N -1.86 5.65 0.00 3.99 3.84 -1.26 -1.41 114.94 123.89 3djs s ASN 124 Ca 0.10 -1.94 0.04 0.00 0.21 0.00 0.00 52.86 51.28 3djs s ASN 124 Cb -0.10 -1.99 0.27 0.00 -0.55 0.00 0.00 41.25 38.88 3djs s ASN 124 CO 0.05 -0.67 0.74 -0.81 -2.79 0.00 0.00 177.10 173.62