#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3d7p h PRO 11 N 0.00 0.00 -4.24 0.00 0.13 -1.87 -3.43 132.00 122.58 3d7p h PRO 11 Ca 0.00 0.00 -0.50 0.00 -0.87 0.00 0.00 66.00 64.63 3d7p h PRO 11 Cb 0.00 0.00 -0.36 0.00 0.13 0.00 0.00 31.00 30.77 3d7p h PRO 11 CO 0.00 0.00 -0.80 -1.17 -0.23 0.00 0.00 178.00 175.80 3d7p s LEU 12 N -4.67 1.27 0.01 1.56 2.96 -1.26 0.04 118.68 118.60 3d7p s LEU 12 Ca 0.06 -0.26 0.05 0.00 -0.22 0.00 0.00 54.13 53.77 3d7p s LEU 12 Cb 0.10 -0.76 -0.02 0.00 0.50 0.00 0.00 46.19 46.02 3d7p s LEU 12 CO 0.49 -0.08 -0.17 -0.32 -1.32 0.00 0.00 176.35 174.95 3d7p s MET 13 N 1.35 1.24 -0.05 1.98 -2.45 0.28 -4.46 119.30 117.20 3d7p s MET 13 Ca -0.02 -0.70 0.06 0.00 -1.25 0.00 0.00 55.69 53.77 3d7p s MET 13 Cb -0.14 -1.25 -0.01 0.00 1.25 0.00 0.00 34.83 34.69 3d7p s MET 13 CO -0.04 0.33 -0.22 0.08 1.05 0.00 0.00 175.02 176.22 3d7p s VAL 14 N -0.58 1.82 -0.05 10.11 1.01 -1.13 -0.78 120.40 130.80 3d7p s VAL 14 Ca 0.05 -0.94 0.03 0.00 0.00 0.00 0.00 61.98 61.12 3d7p s VAL 14 Cb -0.07 -1.54 0.01 0.00 0.00 0.00 0.00 36.38 34.77 3d7p s VAL 14 CO 0.00 0.51 -0.13 -0.75 0.00 0.00 0.00 175.10 174.74 3d7p s LYS 15 N -0.14 1.59 -0.09 2.72 2.20 -0.33 -0.72 119.74 124.98 3d7p s LYS 15 Ca -0.02 -0.44 0.02 0.00 -0.36 0.00 0.00 55.97 55.17 3d7p s LYS 15 Cb -0.12 -1.35 0.01 0.00 -1.51 0.00 0.00 37.83 34.85 3d7p s LYS 15 CO 0.03 0.10 -0.16 0.08 -0.36 0.00 0.00 175.35 175.04 3d7p s VAL 16 N 0.42 1.44 0.04 4.02 1.01 0.49 -0.67 120.40 127.16 3d7p s VAL 16 Ca -0.10 -0.64 0.08 0.00 0.00 0.00 0.00 61.98 61.32 3d7p s VAL 16 Cb -0.13 -1.30 -0.03 0.00 0.00 0.00 0.00 36.38 34.92 3d7p s VAL 16 CO 0.03 0.43 -0.24 -0.76 0.00 0.00 0.00 175.10 174.55 3d7p s LEU 17 N 0.69 2.15 -0.39 3.92 1.43 -0.07 -1.26 118.68 125.16 3d7p s LEU 17 Ca -0.13 -0.55 -0.15 0.00 -1.03 0.00 0.00 54.13 52.27 3d7p s LEU 17 Cb -0.16 -1.19 0.01 0.00 0.03 0.00 0.00 46.19 44.88 3d7p s LEU 17 CO 0.03 0.23 0.32 -0.62 0.23 0.00 0.00 176.35 176.54 3d7p s ASP 18 N -1.14 6.12 0.04 2.29 -1.08 0.45 -0.61 116.67 122.74 3d7p s ASP 18 Ca 0.10 -0.70 0.27 0.00 -0.52 0.00 0.00 52.55 51.70 3d7p s ASP 18 Cb -0.10 -2.17 1.11 0.00 -1.46 0.00 0.00 42.92 40.30 3d7p s ASP 18 CO 0.02 -0.42 1.86 0.00 0.52 0.00 0.00 175.17 177.15 3d7p n ALA 19 N 5.25 2.25 0.03 3.66 0.00 -0.24 -0.77 120.51 130.69 3d7p n ALA 19 Ca -0.11 -0.08 -0.21 0.00 0.00 0.00 0.00 53.44 53.04 3d7p n ALA 19 Cb 0.48 -1.45 -0.14 0.00 0.00 0.00 0.00 19.45 18.34 3d7p n ALA 19 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3d7p h VAL 20 N 0.00 1.19 0.00 0.00 2.07 -1.94 -3.39 116.25 114.18 3d7p h VAL 20 Ca 0.00 -2.47 0.00 0.00 0.82 0.00 0.00 66.70 65.05 3d7p h VAL 20 Cb 0.52 2.89 0.00 0.00 -1.52 0.00 0.00 31.29 33.18 3d7p h VAL 20 CO 0.00 0.72 -1.33 0.54 0.02 0.00 0.00 177.57 177.52 3d7p n ARG 21 N -3.95 0.51 -2.96 1.57 1.74 -1.22 -5.00 116.66 107.35 3d7p n ARG 21 Ca -0.21 -0.02 -0.12 0.00 -0.77 0.00 0.00 57.85 56.73 3d7p n ARG 21 Cb 0.90 -1.65 0.05 0.00 -1.02 0.00 0.00 32.46 30.74 3d7p n ARG 21 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3d7p n GLY 22 N 1.27 0.01 3.09 -0.13 0.00 0.05 -5.04 105.19 104.44 3d7p n GLY 22 Ca -0.01 -0.14 -0.08 0.00 0.00 0.00 0.00 46.02 45.80 3d7p n GLY 22 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3d7p s SER 23 N -3.55 0.58 0.43 1.61 1.04 -1.06 -4.98 113.70 107.76 3d7p s SER 23 Ca 0.14 -0.94 -0.26 0.00 0.48 0.00 0.00 55.95 55.37 3d7p s SER 23 Cb -0.06 0.17 -0.09 0.00 0.10 0.00 0.00 66.02 66.14 3d7p s SER 23 CO 0.43 -0.54 1.38 -2.16 0.98 0.00 0.00 173.24 173.32 3d7p s PRO 24 N -3.61 3.82 -0.42 4.02 0.04 -1.26 -0.41 135.00 137.18 3d7p s PRO 24 Ca 0.05 2.31 -0.23 0.00 0.04 0.00 0.00 61.00 63.17 3d7p s PRO 24 Cb 0.05 -2.71 0.02 0.00 0.04 0.00 0.00 34.50 31.90 3d7p s PRO 24 CO -0.08 -0.67 0.77 0.00 0.04 0.00 0.00 177.00 177.07 3d7p s ALA 25 N -1.22 3.35 0.08 8.56 0.00 -0.39 -4.69 121.76 127.44 3d7p s ALA 25 Ca 0.59 -0.88 -0.08 0.00 0.00 0.00 0.00 51.96 51.59 3d7p s ALA 25 Cb -0.41 -3.42 -0.05 0.00 0.00 0.00 0.00 23.12 19.23 3d7p s ALA 25 CO 0.53 -1.75 0.37 0.42 0.00 0.00 0.00 175.76 175.33 3d7p s ILE 26 N 3.19 5.16 -1.68 0.00 1.01 -1.26 -4.33 121.20 123.29 3d7p s ILE 26 Ca 0.30 0.27 -0.00 0.00 0.00 0.00 0.00 60.65 61.22 3d7p s ILE 26 Cb -0.13 -3.62 0.00 0.00 0.01 0.00 0.00 42.46 38.72 3d7p s ILE 26 CO 0.20 0.23 0.05 -3.20 0.00 0.00 0.00 174.94 172.23 3d7p n ASN 27 N 0.71 -5.71 -4.71 3.58 5.15 -0.61 -4.73 115.26 108.93 3d7p n ASN 27 Ca -0.07 -0.04 -0.41 0.00 -0.60 0.00 0.00 54.58 53.46 3d7p n ASN 27 Cb 0.52 -4.72 -0.04 0.00 -0.53 0.00 0.00 39.78 35.01 3d7p n ASN 27 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 3d7p s VAL 28 N -3.01 4.93 0.06 3.44 1.01 -1.26 -4.34 120.40 121.23 3d7p s VAL 28 Ca 0.03 1.81 -0.30 0.00 0.00 0.00 0.00 61.98 63.52 3d7p s VAL 28 Cb -0.01 -4.21 -0.05 0.00 0.00 0.00 0.00 36.38 32.11 3d7p s VAL 28 CO 0.03 0.20 1.06 0.00 0.00 0.00 0.00 175.10 176.40 3d7p s ALA 29 N 0.87 3.28 -0.11 5.51 0.00 -0.96 -0.95 121.76 129.40 3d7p s ALA 29 Ca 0.46 0.68 0.03 0.00 0.00 0.00 0.00 51.96 53.13 3d7p s ALA 29 Cb -0.20 -3.36 0.01 0.00 0.00 0.00 0.00 23.12 19.57 3d7p s ALA 29 CO 0.24 -0.26 -0.20 0.08 0.00 0.00 0.00 175.76 175.63 3d7p s VAL 30 N 0.66 1.79 -0.10 0.00 1.01 0.78 -0.40 120.40 124.15 3d7p s VAL 30 Ca 0.53 -0.84 0.04 0.00 0.00 0.00 0.00 61.98 61.71 3d7p s VAL 30 Cb -0.25 -1.58 -0.00 0.00 0.00 0.00 0.00 36.38 34.54 3d7p s VAL 30 CO 0.30 0.50 -0.24 -1.00 0.00 0.00 0.00 175.10 174.66 3d7p s HIS 31 N 0.65 2.56 -0.06 5.22 3.76 -0.33 -1.36 115.29 125.74 3d7p s HIS 31 Ca -0.13 -1.00 0.03 0.00 -0.15 0.00 0.00 55.06 53.82 3d7p s HIS 31 Cb -0.16 -1.70 -0.03 0.00 1.11 0.00 0.00 32.58 31.80 3d7p s HIS 31 CO 0.03 -0.39 -0.13 0.08 -0.85 0.00 0.00 174.74 173.48 3d7p s VAL 32 N 0.28 3.15 0.15 -0.90 1.01 0.22 -0.24 120.40 124.09 3d7p s VAL 32 Ca -0.17 -0.68 0.07 0.00 0.00 0.00 0.00 61.98 61.19 3d7p s VAL 32 Cb -0.17 -2.25 -0.04 0.00 0.00 0.00 0.00 36.38 33.92 3d7p s VAL 32 CO 0.08 0.59 -0.14 -0.36 0.00 0.00 0.00 175.10 175.27 3d7p s PHE 33 N -0.67 1.52 -0.02 5.22 0.40 0.36 -1.06 117.98 123.72 3d7p s PHE 33 Ca 0.10 -0.57 0.06 0.00 -0.60 0.00 0.00 56.93 55.92 3d7p s PHE 33 Cb -0.11 -0.77 -0.01 0.00 0.51 0.00 0.00 43.02 42.64 3d7p s PHE 33 CO 0.01 0.21 -0.21 0.50 0.70 0.00 0.00 175.22 176.44 3d7p s ARG 34 N -3.03 1.74 -0.12 0.44 3.52 0.14 -1.18 118.95 120.47 3d7p s ARG 34 Ca 0.14 -0.74 -0.27 0.00 -0.13 0.00 0.00 55.73 54.74 3d7p s ARG 34 Cb -0.03 -1.65 -0.02 0.00 -1.56 0.00 0.00 34.95 31.69 3d7p s ARG 34 CO 0.04 0.42 0.87 0.21 -0.81 0.00 0.00 175.30 176.04 3d7p s LYS 35 N -0.41 4.38 0.44 5.12 2.20 0.07 0.10 119.74 131.64 3d7p s LYS 35 Ca 0.06 1.14 0.00 0.00 -0.36 0.00 0.00 55.97 56.81 3d7p s LYS 35 Cb -0.09 -3.53 -0.01 0.00 -1.51 0.00 0.00 37.83 32.69 3d7p s LYS 35 CO -0.00 -0.23 0.66 0.00 -0.36 0.00 0.00 175.35 175.42 3d7p s ALA 36 N 1.77 3.74 -0.02 3.13 0.00 -0.11 -4.71 121.76 125.56 3d7p s ALA 36 Ca 0.42 -1.02 -0.30 0.00 0.00 0.00 0.00 51.96 51.06 3d7p s ALA 36 Cb -0.18 -2.15 -0.06 0.00 0.00 0.00 0.00 23.12 20.74 3d7p s ALA 36 CO 0.16 -0.33 1.53 0.00 0.00 0.00 0.00 175.76 177.12 3d7p s ALA 37 N -2.53 3.62 0.00 0.00 0.00 -1.26 -2.31 121.76 119.28 3d7p s ALA 37 Ca 0.47 0.93 0.00 0.00 0.00 0.00 0.00 51.96 53.36 3d7p s ALA 37 Cb -0.10 -3.67 0.00 0.00 0.00 0.00 0.00 23.12 19.35 3d7p s ALA 37 CO 0.38 -1.16 0.00 -0.40 0.00 0.00 0.00 175.76 174.58 3d7p n ASP 38 N 6.20 0.00 -1.08 0.00 5.68 -1.26 -4.78 116.55 121.31 3d7p n ASP 38 Ca 0.15 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.44 3d7p n ASP 38 Cb 0.43 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.41 3d7p n ASP 38 CO 0.00 0.00 0.00 -0.67 -1.33 0.00 0.00 177.20 175.20 3d7p n ASP 39 N 0.00 0.00 -4.68 -1.12 2.03 -0.98 -4.87 116.55 106.94 3d7p n ASP 39 Ca 0.00 0.00 -0.35 0.00 0.52 0.00 0.00 54.79 54.96 3d7p n ASP 39 Cb 0.00 0.00 -0.09 0.00 -0.72 0.00 0.00 41.12 40.31 3d7p n ASP 39 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 3d7p s THR 40 N -0.71 4.51 -0.31 5.18 -1.32 -1.25 -4.89 115.64 116.86 3d7p s THR 40 Ca 0.00 -0.16 -0.29 0.00 -1.21 0.00 0.00 61.69 60.03 3d7p s THR 40 Cb 0.00 -2.94 0.00 0.00 -1.51 0.00 0.00 72.50 68.05 3d7p s THR 40 CO 0.00 0.57 1.34 0.26 -2.21 0.00 0.00 174.62 174.58 3d7p s TRP 41 N -0.54 2.59 -0.16 9.09 0.52 -1.26 -0.93 118.94 128.25 3d7p s TRP 41 Ca 0.10 0.81 -0.12 0.00 0.02 0.00 0.00 56.10 56.91 3d7p s TRP 41 Cb -0.12 -3.98 -0.05 0.00 -1.15 0.00 0.00 33.47 28.18 3d7p s TRP 41 CO 0.02 -1.85 0.25 -1.83 0.02 0.00 0.00 176.95 173.56 3d7p s GLU 42 N 4.33 4.14 0.31 4.98 -1.05 0.12 -4.87 118.70 126.65 3d7p s GLU 42 Ca 0.58 0.02 -0.28 0.00 -0.15 0.00 0.00 54.97 55.14 3d7p s GLU 42 Cb -0.17 -3.39 -0.13 0.00 -0.44 0.00 0.00 34.13 30.00 3d7p s GLU 42 CO 0.25 0.33 1.12 -2.30 0.95 0.00 0.00 175.26 175.61 3d7p n PRO 43 N 3.30 1.64 0.00 -4.83 -0.02 -1.26 0.28 135.00 134.10 3d7p n PRO 43 Ca -0.14 0.58 0.00 0.00 -2.02 0.00 0.00 63.50 61.92 3d7p n PRO 43 Cb 0.52 -2.03 0.00 0.00 -0.02 0.00 0.00 33.50 31.97 3d7p n PRO 43 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 3d7p n PHE 44 N 0.30 0.00 -3.46 6.00 7.35 -0.23 -4.71 117.46 122.72 3d7p n PHE 44 Ca 0.08 0.00 -0.11 0.00 -0.76 0.00 0.00 57.45 56.66 3d7p n PHE 44 Cb 0.33 0.11 -0.02 0.00 0.35 0.00 0.00 39.48 40.26 3d7p n PHE 44 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 3d7p s ALA 45 N -1.85 -1.61 0.17 3.13 0.00 -0.92 -5.01 121.76 115.67 3d7p s ALA 45 Ca 0.00 0.52 -0.23 0.00 0.00 0.00 0.00 51.96 52.25 3d7p s ALA 45 Cb 0.00 0.82 0.06 0.00 0.00 0.00 0.00 23.12 24.00 3d7p s ALA 45 CO 0.00 -0.78 0.67 -1.54 0.00 0.00 0.00 175.76 174.11 3d7p s SER 46 N -2.72 -0.46 0.00 0.00 1.04 -1.26 0.73 113.70 111.02 3d7p s SER 46 Ca 0.02 -0.16 0.00 0.00 0.48 0.00 0.00 55.95 56.29 3d7p s SER 46 Cb -0.01 0.61 0.00 0.00 0.10 0.00 0.00 66.02 66.71 3d7p s SER 46 CO -0.11 -1.03 0.00 0.61 0.98 0.00 0.00 173.24 173.69 3d7p n GLY 47 N -0.39 -1.17 3.27 7.32 0.00 -0.46 -4.96 105.19 108.79 3d7p n GLY 47 Ca -0.13 -0.89 -0.26 0.00 0.00 0.00 0.00 46.02 44.74 3d7p n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3d7p s LYS 48 N -0.87 1.47 0.51 1.61 1.02 -1.26 -0.15 119.74 122.07 3d7p s LYS 48 Ca 0.00 -0.97 -0.22 0.00 0.02 0.00 0.00 55.97 54.80 3d7p s LYS 48 Cb 0.00 -1.60 -0.06 0.00 -0.52 0.00 0.00 37.83 35.65 3d7p s LYS 48 CO 0.00 0.41 1.25 0.95 -0.92 0.00 0.00 175.35 177.04 3d7p s THR 49 N -0.79 2.64 0.43 2.17 -4.23 -0.13 -4.76 115.64 110.96 3d7p s THR 49 Ca 0.08 0.47 -0.05 0.00 -1.18 0.00 0.00 61.69 61.02 3d7p s THR 49 Cb -0.09 -3.23 0.09 0.00 1.34 0.00 0.00 72.50 70.61 3d7p s THR 49 CO 0.02 -0.02 0.58 -1.54 -0.54 0.00 0.00 174.62 173.12 3d7p n SER 50 N -0.83 0.32 -0.30 3.99 3.41 0.59 -1.57 113.62 119.23 3d7p n SER 50 Ca 0.09 -1.38 0.17 0.00 -0.26 0.00 0.00 58.87 57.49 3d7p n SER 50 Cb 0.47 -0.42 0.44 0.00 -0.26 0.00 0.00 64.21 64.44 3d7p n SER 50 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 3d7p h GLU 51 N 0.00 0.53 0.00 4.33 4.57 -1.94 0.17 114.58 122.24 3d7p h GLU 51 Ca -0.19 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 57.96 3d7p h GLU 51 Cb 0.59 -0.12 0.00 0.00 -0.16 0.00 0.00 28.75 29.06 3d7p h GLU 51 CO 0.16 0.35 0.00 -1.13 -1.18 0.00 0.00 179.01 177.21 3d7p n SER 52 N -4.62 0.00 0.00 1.04 3.41 -1.26 -4.77 113.62 107.42 3d7p n SER 52 Ca 0.22 -1.02 0.00 0.00 -0.26 0.00 0.00 58.87 57.80 3d7p n SER 52 Cb 0.68 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.63 3d7p n SER 52 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3d7p n GLY 53 N 0.99 0.50 3.71 5.00 0.00 0.60 -4.75 105.19 111.24 3d7p n GLY 53 Ca 0.23 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.97 3d7p n GLY 53 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3d7p s GLU 54 N -0.13 2.60 -0.24 1.61 2.02 -1.26 -0.38 118.70 122.93 3d7p s GLU 54 Ca 0.00 -0.89 0.00 0.00 0.02 0.00 0.00 54.97 54.10 3d7p s GLU 54 Cb 0.00 -2.53 0.06 0.00 0.10 0.00 0.00 34.13 31.76 3d7p s GLU 54 CO 0.00 0.51 -0.03 -1.17 0.02 0.00 0.00 175.26 174.60 3d7p s LEU 55 N -2.59 2.40 0.32 1.80 2.96 0.10 -0.30 118.68 123.36 3d7p s LEU 55 Ca 0.27 -1.17 0.07 0.00 -0.22 0.00 0.00 54.13 53.08 3d7p s LEU 55 Cb -0.11 -1.08 -0.03 0.00 0.50 0.00 0.00 46.19 45.47 3d7p s LEU 55 CO 0.19 -0.26 0.30 -1.00 -1.32 0.00 0.00 176.35 174.26 3d7p s HIS 56 N 1.47 2.99 -0.69 5.38 3.76 -1.26 -2.84 115.29 124.10 3d7p s HIS 56 Ca -0.04 -0.24 0.00 0.00 -0.15 0.00 0.00 55.06 54.63 3d7p s HIS 56 Cb -0.18 -1.74 0.00 0.00 1.11 0.00 0.00 32.58 31.77 3d7p s HIS 56 CO -0.07 0.23 0.00 0.41 -0.85 0.00 0.00 174.74 174.46 3d7p n GLY 57 N -1.37 0.84 0.38 -2.22 0.00 -1.26 -4.93 105.19 96.62 3d7p n GLY 57 Ca -0.03 -0.75 -0.02 0.00 0.00 0.00 0.00 46.02 45.22 3d7p n GLY 57 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3d7p h LEU 58 N 0.00 1.15 -8.30 0.99 3.38 -1.84 -3.47 115.31 107.22 3d7p h LEU 58 Ca -0.14 -0.04 -0.16 0.00 0.09 0.00 0.00 57.88 57.64 3d7p h LEU 58 Cb 0.47 -0.29 -0.05 0.00 0.09 0.00 0.00 40.66 40.88 3d7p h LEU 58 CO 0.20 0.84 -0.01 0.28 0.09 0.00 0.00 178.44 179.83 3d7p s THR 59 N -6.09 0.00 0.29 0.22 -1.32 -1.26 -4.78 115.64 102.70 3d7p s THR 59 Ca -0.13 -1.36 0.11 0.00 -1.21 0.00 0.00 61.69 59.10 3d7p s THR 59 Cb 0.18 -2.67 -0.05 0.00 -1.51 0.00 0.00 72.50 68.45 3d7p s THR 59 CO 0.82 0.00 -0.12 0.42 -2.21 0.00 0.00 174.62 173.53 3d7p s THR 60 N -2.90 2.68 0.38 5.08 -4.23 -1.26 -4.56 115.64 110.83 3d7p s THR 60 Ca 0.24 -2.23 0.07 0.00 -1.18 0.00 0.00 61.69 58.60 3d7p s THR 60 Cb -0.02 -2.52 0.30 0.00 1.34 0.00 0.00 72.50 71.60 3d7p s THR 60 CO 0.16 -0.35 1.97 -0.08 -0.54 0.00 0.00 174.62 175.78 3d7p h GLU 61 N 2.10 0.66 -0.33 3.99 4.57 -1.99 -0.31 114.58 123.27 3d7p h GLU 61 Ca -0.41 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 57.73 3d7p h GLU 61 Cb 1.26 -0.15 -0.02 0.00 -0.16 0.00 0.00 28.75 29.68 3d7p h GLU 61 CO 0.62 0.43 0.21 0.93 -1.18 0.00 0.00 179.01 180.02 3d7p h GLU 62 N 0.68 0.44 0.00 1.92 3.07 -2.04 -3.17 114.58 115.48 3d7p h GLU 62 Ca 0.29 -0.03 -0.09 0.00 -0.50 0.00 0.00 59.36 59.02 3d7p h GLU 62 Cb 0.27 -0.10 -0.01 0.00 -0.84 0.00 0.00 28.75 28.07 3d7p h GLU 62 CO -0.09 0.31 -0.88 0.93 -1.40 0.00 0.00 179.01 177.88 3d7p h GLU 63 N 0.44 0.00 -4.02 2.33 4.39 -1.88 -3.40 114.58 112.44 3d7p h GLU 63 Ca 0.12 0.00 -0.73 0.00 0.34 0.00 0.00 59.36 59.09 3d7p h GLU 63 Cb -0.02 0.00 -0.10 0.00 -0.10 0.00 0.00 28.75 28.53 3d7p h GLU 63 CO -0.02 0.25 2.46 0.34 -1.16 0.00 0.00 179.01 180.87 3d7p n PHE 64 N -2.96 3.50 -2.23 4.33 7.35 -0.16 -4.96 117.46 122.34 3d7p n PHE 64 Ca -0.02 -2.92 -0.27 0.00 -0.76 0.00 0.00 57.45 53.48 3d7p n PHE 64 Cb 0.70 -2.28 0.13 0.00 0.35 0.00 0.00 39.48 38.38 3d7p n PHE 64 CO 0.00 0.00 0.00 0.14 -0.76 0.00 0.00 176.76 176.14 3d7p s VAL 65 N 1.99 2.11 0.28 -2.13 -7.23 -1.26 -4.91 120.40 109.26 3d7p s VAL 65 Ca 0.44 -0.27 -0.29 0.00 -1.81 0.00 0.00 61.98 60.05 3d7p s VAL 65 Cb 0.10 -2.84 -0.14 0.00 0.56 0.00 0.00 36.38 34.06 3d7p s VAL 65 CO -0.03 0.00 1.19 1.21 -0.31 0.00 0.00 175.10 177.16 3d7p n GLU 66 N -3.23 1.69 -3.52 4.82 0.00 -1.26 -4.77 120.64 114.37 3d7p n GLU 66 Ca 0.13 0.60 0.00 0.00 0.00 0.00 0.00 57.16 57.89 3d7p n GLU 66 Cb 0.60 -2.10 0.00 0.00 0.00 0.00 0.00 31.44 29.94 3d7p n GLU 66 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 3d7p n GLY 67 N 1.35 -1.96 3.61 8.31 0.00 -0.99 -5.00 105.19 110.51 3d7p n GLY 67 Ca 0.09 -1.16 -0.36 0.00 0.00 0.00 0.00 46.02 44.60 3d7p n GLY 67 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3d7p s ILE 68 N -2.12 4.93 0.19 -0.61 1.01 -1.26 -0.83 121.20 122.51 3d7p s ILE 68 Ca 0.00 0.03 0.11 0.00 0.00 0.00 0.00 60.65 60.79 3d7p s ILE 68 Cb 0.00 -3.27 -0.04 0.00 0.01 0.00 0.00 42.46 39.16 3d7p s ILE 68 CO 0.00 0.39 -0.23 -0.31 0.00 0.00 0.00 174.94 174.79 3d7p s TYR 69 N 0.88 2.33 -0.06 3.97 1.51 0.96 -0.75 117.35 126.18 3d7p s TYR 69 Ca 0.05 -0.35 0.02 0.00 -1.01 0.00 0.00 57.07 55.79 3d7p s TYR 69 Cb -0.13 -1.15 0.01 0.00 -0.11 0.00 0.00 41.96 40.58 3d7p s TYR 69 CO 0.03 0.51 -0.12 0.21 -1.11 0.00 0.00 175.55 175.07 3d7p s LYS 70 N -2.71 1.62 -0.23 -0.62 2.20 -0.32 -1.14 119.74 118.54 3d7p s LYS 70 Ca 0.21 -0.39 -0.05 0.00 -0.36 0.00 0.00 55.97 55.39 3d7p s LYS 70 Cb -0.08 -1.36 -0.01 0.00 -1.51 0.00 0.00 37.83 34.87 3d7p s LYS 70 CO 0.10 0.01 -0.01 0.08 -0.36 0.00 0.00 175.35 175.18 3d7p s VAL 71 N 0.70 3.62 -0.15 4.02 1.01 0.18 -0.49 120.40 129.29 3d7p s VAL 71 Ca -0.14 -0.41 -0.03 0.00 0.00 0.00 0.00 61.98 61.40 3d7p s VAL 71 Cb -0.16 -2.66 -0.03 0.00 0.00 0.00 0.00 36.38 33.54 3d7p s VAL 71 CO 0.03 0.40 -0.05 -1.61 0.00 0.00 0.00 175.10 173.88 3d7p s GLU 72 N 1.50 3.58 -0.33 2.72 2.02 0.67 -0.72 118.70 128.14 3d7p s GLU 72 Ca 0.06 -0.53 -0.08 0.00 0.02 0.00 0.00 54.97 54.43 3d7p s GLU 72 Cb -0.14 -2.86 0.02 0.00 0.10 0.00 0.00 34.13 31.24 3d7p s GLU 72 CO -0.01 0.28 0.13 0.42 0.02 0.00 0.00 175.26 176.09 3d7p s ILE 73 N 0.26 4.13 -0.41 -1.63 -1.09 -0.91 -1.18 121.20 120.36 3d7p s ILE 73 Ca -0.04 -0.85 -0.11 0.00 -2.23 0.00 0.00 60.65 57.42 3d7p s ILE 73 Cb -0.14 -3.24 0.05 0.00 -1.58 0.00 0.00 42.46 37.55 3d7p s ILE 73 CO 0.03 -0.09 0.27 -1.81 -1.23 0.00 0.00 174.94 172.11 3d7p s ASP 74 N 1.49 5.80 0.00 3.58 1.01 0.46 -4.12 116.67 124.89 3d7p s ASP 74 Ca 0.01 -1.24 0.24 0.00 0.71 0.00 0.00 52.55 52.27 3d7p s ASP 74 Cb -0.18 -2.05 0.23 0.00 1.01 0.00 0.00 42.92 41.93 3d7p s ASP 74 CO 0.04 -0.50 1.25 0.35 0.21 0.00 0.00 175.17 176.53 3d7p n THR 75 N 5.02 0.00 -0.15 -1.27 -2.24 -1.26 -2.25 114.28 112.12 3d7p n THR 75 Ca -0.11 -0.30 -0.03 0.00 -2.27 0.00 0.00 64.05 61.34 3d7p n THR 75 Cb 0.44 1.14 0.05 0.00 -2.10 0.00 0.00 70.33 69.87 3d7p n THR 75 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 3d7p h LYS 76 N 2.85 0.11 -0.22 -0.78 3.64 -1.96 -1.70 116.57 118.50 3d7p h LYS 76 Ca 0.00 -0.01 -0.11 0.00 -1.27 0.00 0.00 60.65 59.26 3d7p h LYS 76 Cb 0.77 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.55 3d7p h LYS 76 CO 0.00 0.07 -0.35 0.66 -2.27 0.00 0.00 179.45 177.56 3d7p h SER 77 N 0.11 0.50 0.03 4.20 4.64 -1.90 -2.25 113.55 118.89 3d7p h SER 77 Ca 0.24 -0.20 0.00 0.00 -0.47 0.00 0.00 61.79 61.37 3d7p h SER 77 Cb 0.36 -0.14 -0.01 0.00 -0.31 0.00 0.00 62.40 62.31 3d7p h SER 77 CO -0.41 0.81 -0.05 0.22 -0.87 0.00 0.00 176.83 176.53 3d7p h TYR 78 N 0.41 -0.13 0.01 4.77 3.20 -1.52 -2.44 116.97 121.27 3d7p h TYR 78 Ca 0.05 0.00 -0.20 0.00 3.14 0.00 0.00 58.73 61.72 3d7p h TYR 78 Cb 0.80 0.05 -0.03 0.00 1.54 0.00 0.00 36.73 39.10 3d7p h TYR 78 CO 0.03 -0.08 -0.94 0.11 -1.64 0.00 0.00 178.16 175.63 3d7p h TRP 79 N -0.11 0.04 -0.50 -3.82 5.08 -1.39 -2.91 115.95 112.35 3d7p h TRP 79 Ca 0.01 -0.03 -0.01 0.00 1.08 0.00 0.00 58.89 59.94 3d7p h TRP 79 Cb 0.11 -0.00 -0.02 0.00 -3.00 0.00 0.00 29.16 26.25 3d7p h TRP 79 CO -0.11 0.95 0.26 1.57 -1.28 0.00 0.00 178.44 179.84 3d7p h LYS 80 N 0.01 0.70 -0.12 0.12 2.10 -1.44 0.66 116.57 118.60 3d7p h LYS 80 Ca -0.02 -0.09 -0.02 0.00 -2.00 0.00 0.00 60.65 58.52 3d7p h LYS 80 Cb 1.65 -0.13 -0.00 0.00 -0.90 0.00 0.00 32.23 32.85 3d7p h LYS 80 CO 0.13 0.56 -0.01 0.00 -2.00 0.00 0.00 179.45 178.13 3d7p h ALA 81 N 1.10 0.16 0.00 0.07 0.00 -1.43 -2.84 119.26 116.32 3d7p h ALA 81 Ca 0.17 -0.20 -0.06 0.00 0.00 0.00 0.00 54.91 54.83 3d7p h ALA 81 Cb 0.07 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 3d7p h ALA 81 CO -0.03 -0.13 -0.29 -0.07 0.00 0.00 0.00 179.25 178.73 3d7p h LEU 82 N -0.06 0.00 0.00 0.00 3.38 -1.57 -3.47 115.31 113.58 3d7p h LEU 82 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.00 3d7p h LEU 82 Cb 0.39 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.14 3d7p h LEU 82 CO 0.01 0.29 0.00 0.61 0.09 0.00 0.00 178.44 179.44 3d7p n GLY 83 N 0.21 0.76 3.91 0.83 0.00 -0.08 -5.06 105.19 105.77 3d7p n GLY 83 Ca 0.00 -0.24 -0.28 0.00 0.00 0.00 0.00 46.02 45.50 3d7p n GLY 83 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3d7p s ILE 84 N -2.00 5.05 0.64 -0.61 -4.36 0.03 -4.98 121.20 114.97 3d7p s ILE 84 Ca 0.00 -0.06 -0.11 0.00 -0.26 0.00 0.00 60.65 60.22 3d7p s ILE 84 Cb 0.00 -3.76 0.16 0.00 1.25 0.00 0.00 42.46 40.11 3d7p s ILE 84 CO 0.00 -0.37 0.64 -1.20 0.24 0.00 0.00 174.94 174.25 3d7p n SER 85 N -1.10 -1.16 -2.97 4.36 7.64 -1.26 -4.61 113.62 114.53 3d7p n SER 85 Ca -0.02 -0.98 -0.09 0.00 1.01 0.00 0.00 58.87 58.79 3d7p n SER 85 Cb 0.54 -0.56 -0.02 0.00 -1.01 0.00 0.00 64.21 63.16 3d7p n SER 85 CO 0.00 0.00 0.00 0.57 -3.01 0.00 0.00 175.04 172.60 3d7p s PRO 86 N -4.44 1.00 0.00 1.43 0.08 -1.26 -4.96 135.00 126.85 3d7p s PRO 86 Ca 0.40 -1.22 0.00 0.00 0.08 0.00 0.00 61.00 60.26 3d7p s PRO 86 Cb -0.03 -0.37 0.00 0.00 0.08 0.00 0.00 34.50 34.18 3d7p s PRO 86 CO 0.30 -1.32 0.00 1.97 0.08 0.00 0.00 177.00 178.03 3d7p n PHE 87 N 3.11 0.00 0.89 0.57 -1.74 -1.20 -4.65 117.46 114.43 3d7p n PHE 87 Ca 0.20 0.00 0.14 0.00 -0.56 0.00 0.00 57.45 57.22 3d7p n PHE 87 Cb 0.54 0.00 0.53 0.00 1.52 0.00 0.00 39.48 42.07 3d7p n PHE 87 CO 0.00 0.00 0.00 0.72 -0.56 0.00 0.00 176.76 176.92 3d7p n HIS 88 N -0.00 0.27 -3.48 2.97 8.25 0.11 -4.72 115.22 118.62 3d7p n HIS 88 Ca 0.00 0.08 -0.43 0.00 -0.26 0.00 0.00 57.72 57.11 3d7p n HIS 88 Cb 0.00 -0.61 -0.10 0.00 1.12 0.00 0.00 29.99 30.40 3d7p n HIS 88 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 3d7p s GLU 89 N -3.03 2.93 -0.13 -0.41 0.41 -1.23 -5.05 118.70 112.20 3d7p s GLU 89 Ca 0.13 -1.09 -0.21 0.00 -0.41 0.00 0.00 54.97 53.39 3d7p s GLU 89 Cb 0.17 -3.95 -0.03 0.00 -1.78 0.00 0.00 34.13 28.53 3d7p s GLU 89 CO 0.56 -0.79 0.61 -1.58 -0.49 0.00 0.00 175.26 173.58 3d7p s HIS 90 N 1.65 3.49 -0.02 1.61 5.65 -1.26 -4.85 115.29 121.55 3d7p s HIS 90 Ca 0.04 1.03 -0.21 0.00 0.25 0.00 0.00 55.06 56.17 3d7p s HIS 90 Cb -0.20 -2.73 -0.05 0.00 -1.18 0.00 0.00 32.58 28.42 3d7p s HIS 90 CO 0.09 0.02 0.61 0.00 -0.65 0.00 0.00 174.74 174.80 3d7p s ALA 91 N 1.14 3.46 -0.09 1.58 0.00 -1.26 -5.02 121.76 121.56 3d7p s ALA 91 Ca 0.31 0.04 -0.02 0.00 0.00 0.00 0.00 51.96 52.29 3d7p s ALA 91 Cb -0.16 -2.78 0.03 0.00 0.00 0.00 0.00 23.12 20.21 3d7p s ALA 91 CO 0.13 0.11 0.01 -1.21 0.00 0.00 0.00 175.76 174.79 3d7p s GLU 92 N 0.04 0.61 -0.28 0.00 2.02 -1.26 -2.15 118.70 117.68 3d7p s GLU 92 Ca 0.32 0.04 -0.01 0.00 0.02 0.00 0.00 54.97 55.33 3d7p s GLU 92 Cb -0.18 -1.13 0.04 0.00 0.10 0.00 0.00 34.13 32.96 3d7p s GLU 92 CO 0.17 -0.35 -0.03 0.08 0.02 0.00 0.00 175.26 175.15 3d7p s VAL 93 N 1.96 2.85 -0.13 2.63 1.01 0.10 -4.95 120.40 123.88 3d7p s VAL 93 Ca 0.04 -1.30 -0.00 0.00 0.00 0.00 0.00 61.98 60.72 3d7p s VAL 93 Cb -0.13 -2.59 -0.02 0.00 0.00 0.00 0.00 36.38 33.65 3d7p s VAL 93 CO -0.06 -0.00 -0.12 -0.69 0.00 0.00 0.00 175.10 174.23 3d7p s VAL 94 N 1.26 3.13 0.02 2.92 1.01 -1.26 -0.64 120.40 126.83 3d7p s VAL 94 Ca -0.04 -0.64 -0.26 0.00 0.00 0.00 0.00 61.98 61.05 3d7p s VAL 94 Cb -0.19 -2.31 0.06 0.00 0.00 0.00 0.00 36.38 33.94 3d7p s VAL 94 CO -0.03 0.53 0.59 0.72 0.00 0.00 0.00 175.10 176.91 3d7p s PHE 95 N 0.29 -0.52 0.12 5.22 -0.71 -0.29 -5.00 117.98 117.09 3d7p s PHE 95 Ca -0.09 0.71 -0.25 0.00 -1.04 0.00 0.00 56.93 56.26 3d7p s PHE 95 Cb -0.15 0.39 -0.07 0.00 -1.21 0.00 0.00 43.02 41.97 3d7p s PHE 95 CO 0.05 -0.65 0.77 0.99 -1.34 0.00 0.00 175.22 175.04 3d7p s THR 96 N -2.06 4.50 0.07 -4.49 2.01 -1.26 -0.03 115.64 114.38 3d7p s THR 96 Ca -0.07 1.67 0.07 0.00 0.31 0.00 0.00 61.69 63.67 3d7p s THR 96 Cb -0.01 -4.12 -0.03 0.00 0.01 0.00 0.00 72.50 68.35 3d7p s THR 96 CO 0.02 0.47 -0.20 0.00 -0.69 0.00 0.00 174.62 174.22 3d7p s ALA 97 N -0.77 1.68 -1.76 7.40 0.00 -0.01 -4.85 121.76 123.44 3d7p s ALA 97 Ca 0.37 -1.12 0.00 0.00 0.00 0.00 0.00 51.96 51.20 3d7p s ALA 97 Cb -0.22 -0.26 0.00 0.00 0.00 0.00 0.00 23.12 22.64 3d7p s ALA 97 CO 0.25 0.34 0.00 0.09 0.00 0.00 0.00 175.76 176.44 3d7p n ASN 98 N 1.43 -5.15 0.00 0.00 3.02 -1.26 -2.35 115.26 110.95 3d7p n ASN 98 Ca -0.19 0.29 0.14 0.00 -0.03 0.00 0.00 54.58 54.79 3d7p n ASN 98 Cb 0.54 -4.22 0.60 0.00 -0.61 0.00 0.00 39.78 36.08 3d7p n ASN 98 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 3d7p n ASP 99 N -1.04 0.04 -0.24 6.41 2.03 -1.26 -3.10 116.55 119.38 3d7p n ASP 99 Ca -0.19 0.46 0.09 0.00 0.52 0.00 0.00 54.79 55.66 3d7p n ASP 99 Cb 0.61 -0.46 0.16 0.00 -0.72 0.00 0.00 41.12 40.71 3d7p n ASP 99 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 3d7p n SER 100 N -1.51 2.14 0.00 1.67 7.64 -1.26 -5.09 113.62 117.21 3d7p n SER 100 Ca 0.07 -3.36 0.00 0.00 1.01 0.00 0.00 58.87 56.59 3d7p n SER 100 Cb 0.34 -0.46 0.00 0.00 -1.01 0.00 0.00 64.21 63.08 3d7p n SER 100 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3d7p n GLY 101 N -1.33 2.12 3.75 0.23 0.00 -1.18 -5.02 105.19 103.76 3d7p n GLY 101 Ca 0.17 -1.96 -0.41 0.00 0.00 0.00 0.00 46.02 43.82 3d7p n GLY 101 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3d7p s PRO 102 N -2.61 4.24 0.22 1.61 0.04 -1.26 -4.31 135.00 132.92 3d7p s PRO 102 Ca 0.00 2.36 0.02 0.00 0.04 0.00 0.00 61.00 63.42 3d7p s PRO 102 Cb 0.00 -3.08 -0.05 0.00 0.04 0.00 0.00 34.50 31.41 3d7p s PRO 102 CO 0.00 -0.44 0.04 1.03 0.04 0.00 0.00 177.00 177.67 3d7p s ARG 103 N -0.64 1.27 -0.21 4.56 1.81 -1.26 -4.95 118.95 119.52 3d7p s ARG 103 Ca 0.59 -1.65 -0.14 0.00 -1.72 0.00 0.00 55.73 52.81 3d7p s ARG 103 Cb -0.43 -0.30 -0.04 0.00 -0.45 0.00 0.00 34.95 33.72 3d7p s ARG 103 CO 0.46 -0.20 0.31 -0.98 -0.68 0.00 0.00 175.30 174.21 3d7p s ARG 104 N -3.96 4.14 -0.15 3.54 1.70 -0.43 -4.81 118.95 118.98 3d7p s ARG 104 Ca 0.30 0.02 -0.01 0.00 -0.47 0.00 0.00 55.73 55.58 3d7p s ARG 104 Cb 0.07 -3.53 -0.01 0.00 -0.57 0.00 0.00 34.95 30.90 3d7p s ARG 104 CO 0.09 0.01 -0.12 0.71 -1.08 0.00 0.00 175.30 174.91 3d7p s TYR 105 N 1.18 2.84 -0.19 5.89 2.02 0.11 -1.17 117.35 128.03 3d7p s TYR 105 Ca 0.15 -0.78 -0.01 0.00 -0.37 0.00 0.00 57.07 56.05 3d7p s TYR 105 Cb -0.14 -1.90 -0.00 0.00 -0.40 0.00 0.00 41.96 39.52 3d7p s TYR 105 CO 0.06 -0.32 -0.11 0.99 -1.57 0.00 0.00 175.55 174.60 3d7p s THR 106 N 0.64 2.90 -0.30 -0.71 2.01 0.00 -0.55 115.64 119.63 3d7p s THR 106 Ca -0.07 -0.67 -0.05 0.00 0.31 0.00 0.00 61.69 61.21 3d7p s THR 106 Cb -0.15 -2.27 0.02 0.00 0.01 0.00 0.00 72.50 70.11 3d7p s THR 106 CO 0.03 0.48 0.05 -0.63 -0.69 0.00 0.00 174.62 173.86 3d7p s ILE 107 N 1.16 3.59 -0.05 1.82 -1.09 0.04 -1.27 121.20 125.40 3d7p s ILE 107 Ca 0.01 -0.95 -0.00 0.00 -2.23 0.00 0.00 60.65 57.48 3d7p s ILE 107 Cb -0.14 -2.92 -0.03 0.00 -1.58 0.00 0.00 42.46 37.78 3d7p s ILE 107 CO -0.04 0.01 -0.01 0.00 -1.23 0.00 0.00 174.94 173.67 3d7p s ALA 108 N 1.41 3.22 -0.05 9.38 0.00 -0.25 -1.18 121.76 134.30 3d7p s ALA 108 Ca 0.00 -0.87 0.03 0.00 0.00 0.00 0.00 51.96 51.12 3d7p s ALA 108 Cb -0.18 -1.38 0.01 0.00 0.00 0.00 0.00 23.12 21.56 3d7p s ALA 108 CO 0.01 0.60 -0.13 0.00 0.00 0.00 0.00 175.76 176.24 3d7p s ALA 109 N -0.93 1.24 -0.23 0.00 0.00 0.16 -1.62 121.76 120.38 3d7p s ALA 109 Ca 0.15 -0.47 -0.01 0.00 0.00 0.00 0.00 51.96 51.63 3d7p s ALA 109 Cb -0.11 -0.49 0.02 0.00 0.00 0.00 0.00 23.12 22.54 3d7p s ALA 109 CO 0.05 0.17 -0.10 -1.17 0.00 0.00 0.00 175.76 174.70 3d7p s LEU 110 N 0.37 2.88 -0.16 0.00 2.96 0.60 -0.89 118.68 124.45 3d7p s LEU 110 Ca -0.09 -0.81 -0.06 0.00 -0.22 0.00 0.00 54.13 52.95 3d7p s LEU 110 Cb -0.13 -1.61 -0.04 0.00 0.50 0.00 0.00 46.19 44.92 3d7p s LEU 110 CO 0.02 -0.09 0.05 -0.76 -1.32 0.00 0.00 176.35 174.26 3d7p s LEU 111 N 1.31 3.75 0.20 -0.68 1.43 0.22 -1.64 118.68 123.27 3d7p s LEU 111 Ca 0.01 0.09 0.05 0.00 -1.03 0.00 0.00 54.13 53.26 3d7p s LEU 111 Cb -0.16 -1.93 -0.05 0.00 0.03 0.00 0.00 46.19 44.09 3d7p s LEU 111 CO -0.07 0.22 -0.09 -0.44 0.23 0.00 0.00 176.35 176.20 3d7p s SER 112 N 0.11 2.13 0.25 2.29 0.01 0.00 -1.08 113.70 117.41 3d7p s SER 112 Ca 0.04 -1.08 -0.03 0.00 1.31 0.00 0.00 55.95 56.19 3d7p s SER 112 Cb -0.12 -0.06 0.49 0.00 0.21 0.00 0.00 66.02 66.54 3d7p s SER 112 CO 0.01 -0.33 1.73 -0.65 0.41 0.00 0.00 173.24 174.41 3d7p h PRO 113 N 2.59 0.43 -0.02 12.44 0.11 -1.93 -3.04 132.00 142.59 3d7p h PRO 113 Ca -0.38 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.71 3d7p h PRO 113 Cb 1.21 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.22 3d7p h PRO 113 CO 0.64 0.29 0.00 0.66 -0.21 0.00 0.00 178.00 179.37 3d7p n TYR 114 N -5.00 0.07 -3.63 0.65 4.02 -1.26 0.08 117.16 112.08 3d7p n TYR 114 Ca 0.15 -0.93 -0.12 0.00 -0.01 0.00 0.00 57.90 57.00 3d7p n TYR 114 Cb 0.44 -0.15 -0.05 0.00 -0.02 0.00 0.00 39.34 39.56 3d7p n TYR 114 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 3d7p s SER 115 N -2.57 -0.31 0.05 7.72 0.15 -1.15 -4.91 113.70 112.67 3d7p s SER 115 Ca 0.29 -0.07 -0.08 0.00 0.70 0.00 0.00 55.95 56.78 3d7p s SER 115 Cb 0.25 0.46 -0.00 0.00 -1.71 0.00 0.00 66.02 65.02 3d7p s SER 115 CO 0.03 -0.75 0.16 -0.72 1.20 0.00 0.00 173.24 173.17 3d7p s TYR 116 N -2.96 0.11 0.11 3.44 1.13 -1.26 -0.82 117.35 117.11 3d7p s TYR 116 Ca -0.02 -0.39 0.09 0.00 -1.41 0.00 0.00 57.07 55.34 3d7p s TYR 116 Cb 0.00 -0.07 -0.04 0.00 -1.10 0.00 0.00 41.96 40.76 3d7p s TYR 116 CO -0.06 -0.43 -0.23 -1.12 -2.51 0.00 0.00 175.55 171.20 3d7p s SER 117 N -2.21 2.82 0.01 -0.18 0.01 -0.65 -4.98 113.70 108.53 3d7p s SER 117 Ca -0.04 -0.69 0.00 0.00 1.31 0.00 0.00 55.95 56.53 3d7p s SER 117 Cb -0.00 -0.18 -0.01 0.00 0.21 0.00 0.00 66.02 66.04 3d7p s SER 117 CO -0.05 0.11 -0.02 0.28 0.41 0.00 0.00 173.24 173.98 3d7p s THR 118 N -1.09 0.06 0.04 1.44 -1.32 -1.26 -0.29 115.64 113.22 3d7p s THR 118 Ca 0.09 -0.47 0.03 0.00 -1.21 0.00 0.00 61.69 60.13 3d7p s THR 118 Cb -0.10 -0.14 -0.02 0.00 -1.51 0.00 0.00 72.50 70.72 3d7p s THR 118 CO 0.05 -0.26 -0.09 0.42 -2.21 0.00 0.00 174.62 172.52 3d7p s THR 119 N -0.76 0.70 -0.12 5.08 -4.23 -0.64 -4.99 115.64 110.68 3d7p s THR 119 Ca -0.08 -1.00 0.03 0.00 -1.18 0.00 0.00 61.69 59.45 3d7p s THR 119 Cb -0.05 -0.71 -0.00 0.00 1.34 0.00 0.00 72.50 73.08 3d7p s THR 119 CO -0.01 -0.24 -0.20 0.00 -0.54 0.00 0.00 174.62 173.63 3d7p s ALA 120 N -1.14 2.32 -0.17 3.99 0.00 -1.26 -1.09 121.76 124.41 3d7p s ALA 120 Ca -0.06 -0.97 -0.01 0.00 0.00 0.00 0.00 51.96 50.92 3d7p s ALA 120 Cb -0.09 -0.96 -0.01 0.00 0.00 0.00 0.00 23.12 22.06 3d7p s ALA 120 CO 0.01 0.23 -0.11 0.08 0.00 0.00 0.00 175.76 175.97 3d7p s VAL 121 N 0.42 3.06 -0.15 0.00 1.01 -0.40 -4.98 120.40 119.36 3d7p s VAL 121 Ca -0.15 -0.63 0.01 0.00 0.00 0.00 0.00 61.98 61.21 3d7p s VAL 121 Cb -0.17 -2.33 0.02 0.00 0.00 0.00 0.00 36.38 33.90 3d7p s VAL 121 CO 0.07 0.49 -0.19 -0.69 0.00 0.00 0.00 175.10 174.78 3d7p s VAL 122 N 0.87 1.88 0.21 2.92 1.01 -1.26 -0.82 120.40 125.21 3d7p s VAL 122 Ca -0.03 -0.85 0.10 0.00 0.00 0.00 0.00 61.98 61.21 3d7p s VAL 122 Cb -0.15 -1.70 -0.05 0.00 0.00 0.00 0.00 36.38 34.49 3d7p s VAL 122 CO 0.00 0.51 -0.19 -0.89 0.00 0.00 0.00 175.10 174.53 3d7p s THR 123 N 1.14 2.11 0.00 3.92 2.01 -0.31 -4.95 115.64 119.55 3d7p s THR 123 Ca -0.00 -2.13 0.00 0.00 0.31 0.00 0.00 61.69 59.86 3d7p s THR 123 Cb -0.14 -2.07 0.00 0.00 0.01 0.00 0.00 72.50 70.30 3d7p s THR 123 CO -0.07 -0.34 0.00 0.59 -0.69 0.00 0.00 174.62 174.11