#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3d7p n PRO 11 N 0.00 0.02 -3.66 0.00 -0.04 -1.26 -4.74 135.00 125.31 3d7p n PRO 11 Ca 0.00 -0.00 -0.21 0.00 -0.04 0.00 0.00 63.50 63.25 3d7p n PRO 11 Cb 0.00 -1.50 -0.18 0.00 -0.04 0.00 0.00 33.50 31.78 3d7p n PRO 11 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 3d7p s LEU 12 N -2.99 0.17 0.04 1.53 2.96 -1.26 -0.16 118.68 118.98 3d7p s LEU 12 Ca 0.13 -0.02 0.03 0.00 -0.22 0.00 0.00 54.13 54.06 3d7p s LEU 12 Cb 0.19 -0.15 -0.02 0.00 0.50 0.00 0.00 46.19 46.70 3d7p s LEU 12 CO 0.58 -0.26 -0.09 -0.04 -1.32 0.00 0.00 176.35 175.22 3d7p s MET 13 N 2.17 0.59 -0.06 1.98 -1.94 -0.17 -4.35 119.30 117.51 3d7p s MET 13 Ca 0.05 -0.75 0.03 0.00 -1.71 0.00 0.00 55.69 53.31 3d7p s MET 13 Cb -0.13 -0.42 0.01 0.00 2.01 0.00 0.00 34.83 36.30 3d7p s MET 13 CO -0.04 0.09 -0.15 0.08 -0.01 0.00 0.00 175.02 174.99 3d7p s VAL 14 N -1.24 1.29 -0.05 -6.03 1.01 -1.00 -0.81 120.40 113.58 3d7p s VAL 14 Ca -0.07 -0.59 0.04 0.00 0.00 0.00 0.00 61.98 61.35 3d7p s VAL 14 Cb -0.09 -1.15 -0.00 0.00 0.00 0.00 0.00 36.38 35.14 3d7p s VAL 14 CO 0.01 0.39 -0.16 -0.75 0.00 0.00 0.00 175.10 174.58 3d7p s LYS 15 N 0.44 1.78 -0.06 2.72 2.20 -0.15 -0.69 119.74 125.98 3d7p s LYS 15 Ca -0.12 -0.57 0.02 0.00 -0.36 0.00 0.00 55.97 54.95 3d7p s LYS 15 Cb -0.14 -1.52 0.01 0.00 -1.51 0.00 0.00 37.83 34.66 3d7p s LYS 15 CO 0.04 0.20 -0.12 0.08 -0.36 0.00 0.00 175.35 175.18 3d7p s VAL 16 N 0.16 1.10 0.07 4.02 1.01 0.17 -0.36 120.40 126.57 3d7p s VAL 16 Ca -0.06 -0.47 0.08 0.00 0.00 0.00 0.00 61.98 61.53 3d7p s VAL 16 Cb -0.12 -1.00 -0.03 0.00 0.00 0.00 0.00 36.38 35.22 3d7p s VAL 16 CO 0.03 0.34 -0.18 -0.76 0.00 0.00 0.00 175.10 174.53 3d7p s LEU 17 N 0.58 2.62 -0.31 3.92 1.43 -0.11 -1.16 118.68 125.65 3d7p s LEU 17 Ca -0.13 -0.48 -0.07 0.00 -1.03 0.00 0.00 54.13 52.43 3d7p s LEU 17 Cb -0.15 -1.52 0.02 0.00 0.03 0.00 0.00 46.19 44.58 3d7p s LEU 17 CO 0.03 0.23 0.09 -0.62 0.23 0.00 0.00 176.35 176.31 3d7p s ASP 18 N -1.67 5.19 0.03 2.29 -1.08 0.83 -0.68 116.67 121.58 3d7p s ASP 18 Ca 0.16 -0.88 0.26 0.00 -0.52 0.00 0.00 52.55 51.57 3d7p s ASP 18 Cb -0.10 -1.87 1.09 0.00 -1.46 0.00 0.00 42.92 40.57 3d7p s ASP 18 CO 0.07 -0.25 1.84 0.00 0.52 0.00 0.00 175.17 177.35 3d7p n ALA 19 N 4.84 2.21 -0.02 3.66 0.00 0.09 -0.80 120.51 130.50 3d7p n ALA 19 Ca -0.14 -0.08 -0.20 0.00 0.00 0.00 0.00 53.44 53.03 3d7p n ALA 19 Cb 0.47 -1.43 -0.13 0.00 0.00 0.00 0.00 19.45 18.35 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 1.26 0.00 0.00 2.07 -1.94 -3.37 116.25 114.26 3d7p h VAL 20 Ca 0.00 -2.38 0.00 0.00 0.82 0.00 0.00 66.70 65.14 3d7p h VAL 20 Cb 0.49 2.86 0.00 0.00 -1.52 0.00 0.00 31.29 33.12 3d7p h VAL 20 CO 0.00 0.62 -0.58 0.03 0.02 0.00 0.00 177.57 177.66 3d7p h ARG 21 N -0.58 0.00 -4.83 1.57 3.08 -1.95 -3.48 114.38 108.20 3d7p h ARG 21 Ca -0.22 0.00 -0.25 0.00 0.07 0.00 0.00 59.98 59.58 3d7p h ARG 21 Cb 1.51 0.00 0.13 0.00 0.08 0.00 0.00 29.97 31.69 3d7p h ARG 21 CO 0.02 0.00 -0.60 0.41 -1.07 0.00 0.00 179.97 178.73 3d7p n GLY 22 N 1.15 -0.21 3.29 0.04 0.00 0.02 -5.02 105.19 104.45 3d7p n GLY 22 Ca 0.02 -0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.94 3d7p n GLY 22 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3d7p s SER 23 N -4.00 -0.02 0.55 1.61 0.01 -0.97 -5.01 113.70 105.88 3d7p s SER 23 Ca 0.03 -0.61 -0.21 0.00 1.31 0.00 0.00 55.95 56.47 3d7p s SER 23 Cb -0.00 0.41 -0.06 0.00 0.21 0.00 0.00 66.02 66.58 3d7p s SER 23 CO 0.56 -0.82 1.13 -2.65 0.41 0.00 0.00 173.24 171.87 3d7p n PRO 24 N -0.16 1.27 -3.10 12.44 -0.02 -1.26 -0.12 135.00 144.04 3d7p n PRO 24 Ca -0.13 0.47 -0.43 0.00 -2.02 0.00 0.00 63.50 61.39 3d7p n PRO 24 Cb 0.63 -2.31 -0.07 0.00 -0.02 0.00 0.00 33.50 31.73 3d7p n PRO 24 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3d7p s ALA 25 N -1.39 3.34 0.05 3.55 0.00 -0.31 -4.60 121.76 122.40 3d7p s ALA 25 Ca 0.73 -1.32 -0.13 0.00 0.00 0.00 0.00 51.96 51.24 3d7p s ALA 25 Cb -0.44 -3.33 -0.06 0.00 0.00 0.00 0.00 23.12 19.29 3d7p s ALA 25 CO 0.49 -1.87 0.42 0.42 0.00 0.00 0.00 175.76 175.23 3d7p s ILE 26 N 2.84 5.03 -1.48 0.00 1.01 -1.26 -4.32 121.20 123.02 3d7p s ILE 26 Ca 0.21 0.70 -0.07 0.00 0.00 0.00 0.00 60.65 61.49 3d7p s ILE 26 Cb -0.15 -3.69 0.03 0.00 0.01 0.00 0.00 42.46 38.65 3d7p s ILE 26 CO 0.18 0.43 0.69 0.59 0.00 0.00 0.00 174.94 176.82 3d7p n ASN 27 N 1.35 -5.57 -4.71 3.58 5.03 -0.52 -4.95 115.26 109.47 3d7p n ASN 27 Ca -0.11 -0.38 -0.40 0.00 0.87 0.00 0.00 54.58 54.56 3d7p n ASN 27 Cb 0.52 -4.49 -0.04 0.00 -1.02 0.00 0.00 39.78 34.75 3d7p n ASN 27 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 3d7p s VAL 28 N -3.16 4.98 0.24 2.41 1.01 -1.26 -4.75 120.40 119.88 3d7p s VAL 28 Ca 0.39 1.59 -0.30 0.00 0.00 0.00 0.00 61.98 63.66 3d7p s VAL 28 Cb -0.18 -4.11 -0.09 0.00 0.00 0.00 0.00 36.38 32.00 3d7p s VAL 28 CO 0.48 0.19 1.02 0.00 0.00 0.00 0.00 175.10 176.80 3d7p s ALA 29 N 1.09 3.37 -0.05 5.51 0.00 -1.26 -1.29 121.76 129.12 3d7p s ALA 29 Ca 0.40 0.75 0.02 0.00 0.00 0.00 0.00 51.96 53.13 3d7p s ALA 29 Cb -0.18 -3.28 0.02 0.00 0.00 0.00 0.00 23.12 19.68 3d7p s ALA 29 CO 0.19 0.00 -0.09 0.08 0.00 0.00 0.00 175.76 175.94 3d7p s VAL 30 N -1.02 0.88 -0.10 0.00 1.01 0.13 -0.62 120.40 120.69 3d7p s VAL 30 Ca 0.44 -0.34 0.03 0.00 0.00 0.00 0.00 61.98 62.11 3d7p s VAL 30 Cb -0.29 -0.83 0.01 0.00 0.00 0.00 0.00 36.38 35.27 3d7p s VAL 30 CO 0.36 0.30 -0.20 -1.00 0.00 0.00 0.00 175.10 174.56 3d7p s HIS 31 N 0.70 2.23 -0.06 5.22 3.76 0.08 -1.69 115.29 125.53 3d7p s HIS 31 Ca -0.13 -0.94 0.03 0.00 -0.15 0.00 0.00 55.06 53.88 3d7p s HIS 31 Cb -0.15 -1.53 -0.02 0.00 1.11 0.00 0.00 32.58 31.99 3d7p s HIS 31 CO 0.02 -0.41 -0.16 0.08 -0.85 0.00 0.00 174.74 173.42 3d7p s VAL 32 N 0.54 2.87 0.16 -0.90 1.01 0.15 -0.08 120.40 124.15 3d7p s VAL 32 Ca -0.15 -0.78 0.07 0.00 0.00 0.00 0.00 61.98 61.12 3d7p s VAL 32 Cb -0.17 -2.12 -0.04 0.00 0.00 0.00 0.00 36.38 34.05 3d7p s VAL 32 CO 0.05 0.57 -0.16 -0.36 0.00 0.00 0.00 175.10 175.21 3d7p s PHE 33 N -0.44 1.66 -0.04 5.22 0.40 0.24 -0.57 117.98 124.45 3d7p s PHE 33 Ca 0.05 -0.53 0.05 0.00 -0.60 0.00 0.00 56.93 55.90 3d7p s PHE 33 Cb -0.12 -0.82 -0.01 0.00 0.51 0.00 0.00 43.02 42.58 3d7p s PHE 33 CO 0.02 0.28 -0.19 0.50 0.70 0.00 0.00 175.22 176.53 3d7p s ARG 34 N -3.03 1.86 -0.07 0.44 3.52 0.79 -1.21 118.95 121.25 3d7p s ARG 34 Ca 0.16 -0.66 -0.30 0.00 -0.13 0.00 0.00 55.73 54.80 3d7p s ARG 34 Cb -0.04 -1.63 -0.04 0.00 -1.56 0.00 0.00 34.95 31.68 3d7p s ARG 34 CO 0.05 0.28 1.42 0.21 -0.81 0.00 0.00 175.30 176.46 3d7p s LYS 35 N -0.05 4.24 0.79 5.12 2.20 0.16 -0.49 119.74 131.71 3d7p s LYS 35 Ca -0.02 1.91 -0.12 0.00 -0.36 0.00 0.00 55.97 57.38 3d7p s LYS 35 Cb -0.11 -3.76 0.07 0.00 -1.51 0.00 0.00 37.83 32.52 3d7p s LYS 35 CO 0.02 -0.69 1.16 0.00 -0.36 0.00 0.00 175.35 175.48 3d7p s ALA 36 N 3.25 2.68 0.54 3.13 0.00 0.57 -4.71 121.76 127.22 3d7p s ALA 36 Ca 0.63 -0.58 0.23 0.00 0.00 0.00 0.00 51.96 52.25 3d7p s ALA 36 Cb -0.28 -2.98 1.42 0.00 0.00 0.00 0.00 23.12 21.28 3d7p s ALA 36 CO 0.23 -1.58 2.06 0.00 0.00 0.00 0.00 175.76 176.47 3d7p h ALA 37 N -0.99 2.21 -0.35 0.00 0.00 -1.95 -0.15 119.26 118.04 3d7p h ALA 37 Ca -0.46 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.44 3d7p h ALA 37 Cb 1.31 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.13 3d7p h ALA 37 CO 0.65 -0.39 0.00 -0.40 0.00 0.00 0.00 179.25 179.12 3d7p n ASP 38 N -4.30 2.97 -1.48 0.00 3.85 -1.26 -4.93 116.55 111.40 3d7p n ASP 38 Ca 0.04 -2.29 -0.16 0.00 -0.71 0.00 0.00 54.79 51.68 3d7p n ASP 38 Cb 0.40 -0.46 -0.04 0.00 -1.35 0.00 0.00 41.12 39.67 3d7p n ASP 38 CO 0.00 0.00 0.00 0.47 -1.01 0.00 0.00 177.20 176.66 3d7p n ASP 39 N 0.48 -4.77 -4.84 -1.12 8.00 -0.07 -5.02 116.55 109.23 3d7p n ASP 39 Ca 0.14 0.19 -0.21 0.00 0.71 0.00 0.00 54.79 55.61 3d7p n ASP 39 Cb 0.58 -3.76 -0.04 0.00 -0.02 0.00 0.00 41.12 37.88 3d7p n ASP 39 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 3d7p s THR 40 N -2.68 3.78 -0.25 -3.53 -4.23 -1.26 -4.88 115.64 102.59 3d7p s THR 40 Ca 0.00 -1.40 -0.19 0.00 -1.18 0.00 0.00 61.69 58.92 3d7p s THR 40 Cb 0.00 -3.23 -0.03 0.00 1.34 0.00 0.00 72.50 70.58 3d7p s THR 40 CO 0.00 -0.23 0.54 0.26 -0.54 0.00 0.00 174.62 174.65 3d7p s TRP 41 N -2.26 3.28 -0.18 3.99 0.52 -1.26 -0.31 118.94 122.72 3d7p s TRP 41 Ca 0.38 0.70 -0.12 0.00 0.02 0.00 0.00 56.10 57.09 3d7p s TRP 41 Cb -0.06 -2.74 -0.05 0.00 -1.15 0.00 0.00 33.47 29.47 3d7p s TRP 41 CO 0.26 -0.27 0.21 -2.00 0.02 0.00 0.00 176.95 175.17 3d7p s GLU 42 N 2.27 4.19 0.27 4.98 2.12 0.36 -4.90 118.70 127.98 3d7p s GLU 42 Ca 0.23 -0.06 -0.30 0.00 0.36 0.00 0.00 54.97 55.19 3d7p s GLU 42 Cb -0.16 -3.41 -0.13 0.00 0.26 0.00 0.00 34.13 30.70 3d7p s GLU 42 CO 0.09 0.29 1.47 -2.30 -0.54 0.00 0.00 175.26 174.27 3d7p n PRO 43 N 3.47 2.28 -0.01 4.30 -0.02 -1.26 -0.15 135.00 143.62 3d7p n PRO 43 Ca -0.14 0.81 -0.02 0.00 -2.02 0.00 0.00 63.50 62.13 3d7p n PRO 43 Cb 0.52 -2.51 -0.01 0.00 -0.02 0.00 0.00 33.50 31.48 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 1.85 0.00 -3.46 6.00 7.35 0.27 -4.77 117.46 124.70 3d7p n PHE 44 Ca 0.10 0.00 -0.11 0.00 -0.76 0.00 0.00 57.45 56.68 3d7p n PHE 44 Cb 0.34 -0.08 -0.02 0.00 0.35 0.00 0.00 39.48 40.06 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 -2.04 -1.67 0.20 3.13 0.00 -0.88 -5.01 121.76 115.49 3d7p s ALA 45 Ca -0.03 0.66 -0.18 0.00 0.00 0.00 0.00 51.96 52.40 3d7p s ALA 45 Cb 0.01 0.72 0.03 0.00 0.00 0.00 0.00 23.12 23.88 3d7p s ALA 45 CO 0.04 -0.75 0.55 -1.54 0.00 0.00 0.00 175.76 174.07 3d7p s SER 46 N -2.66 -0.29 0.00 0.00 1.04 -1.26 0.30 113.70 110.83 3d7p s SER 46 Ca 0.03 -0.44 0.00 0.00 0.48 0.00 0.00 55.95 56.01 3d7p s SER 46 Cb -0.01 0.60 0.00 0.00 0.10 0.00 0.00 66.02 66.71 3d7p s SER 46 CO -0.11 -1.08 0.00 0.61 0.98 0.00 0.00 173.24 173.64 3d7p n GLY 47 N -0.36 -1.25 3.17 7.32 0.00 -0.68 -4.94 105.19 108.45 3d7p n GLY 47 Ca -0.10 -0.88 -0.22 0.00 0.00 0.00 0.00 46.02 44.82 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 -0.57 1.06 0.59 1.61 1.02 -1.26 -0.69 119.74 121.50 3d7p s LYS 48 Ca 0.00 -0.80 -0.19 0.00 0.02 0.00 0.00 55.97 55.00 3d7p s LYS 48 Cb 0.00 -1.10 -0.04 0.00 -0.52 0.00 0.00 37.83 36.17 3d7p s LYS 48 CO 0.00 0.27 1.20 0.95 -0.92 0.00 0.00 175.35 176.85 3d7p s THR 49 N -0.83 2.71 0.13 2.17 -4.23 -0.41 -4.74 115.64 110.44 3d7p s THR 49 Ca 0.03 0.44 0.00 0.00 -1.18 0.00 0.00 61.69 60.98 3d7p s THR 49 Cb -0.08 -3.17 0.03 0.00 1.34 0.00 0.00 72.50 70.61 3d7p s THR 49 CO 0.01 -0.10 0.18 -1.54 -0.54 0.00 0.00 174.62 172.64 3d7p n SER 50 N -1.56 0.26 0.15 3.99 3.41 0.04 -1.44 113.62 118.47 3d7p n SER 50 Ca 0.13 -1.21 0.17 0.00 -0.26 0.00 0.00 58.87 57.70 3d7p n SER 50 Cb 0.50 -0.12 0.78 0.00 -0.26 0.00 0.00 64.21 65.11 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 0.00 -0.00 4.33 4.57 -1.94 0.43 114.58 121.97 3d7p h GLU 51 Ca -0.06 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.12 3d7p h GLU 51 Cb 0.22 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.81 3d7p h GLU 51 CO 0.07 0.00 -0.04 -1.13 -1.18 0.00 0.00 179.01 176.73 3d7p n SER 52 N -3.97 0.38 -0.05 1.04 3.41 -1.26 -4.82 113.62 108.36 3d7p n SER 52 Ca 0.04 -0.79 -0.01 0.00 -0.26 0.00 0.00 58.87 57.85 3d7p n SER 52 Cb 0.40 -0.07 -0.00 0.00 -0.26 0.00 0.00 64.21 64.28 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 1.17 0.48 3.63 5.00 0.00 0.14 -4.78 105.19 110.83 3d7p n GLY 53 Ca 0.18 -0.36 -0.30 0.00 0.00 0.00 0.00 46.02 45.54 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 -0.88 2.33 -0.18 1.61 2.02 -1.26 -0.65 118.70 121.69 3d7p s GLU 54 Ca 0.00 -0.94 -0.01 0.00 0.02 0.00 0.00 54.97 54.04 3d7p s GLU 54 Cb 0.00 -2.42 0.05 0.00 0.10 0.00 0.00 34.13 31.86 3d7p s GLU 54 CO 0.00 0.52 -0.03 -1.17 0.02 0.00 0.00 175.26 174.61 3d7p s LEU 55 N -2.27 1.60 0.33 1.80 2.96 0.13 -0.78 118.68 122.45 3d7p s LEU 55 Ca 0.24 -0.76 0.08 0.00 -0.22 0.00 0.00 54.13 53.47 3d7p s LEU 55 Cb -0.11 -0.84 -0.04 0.00 0.50 0.00 0.00 46.19 45.69 3d7p s LEU 55 CO 0.16 -0.23 0.13 -1.00 -1.32 0.00 0.00 176.35 174.10 3d7p s HIS 56 N 1.67 2.71 -0.02 5.38 3.76 -1.26 -2.36 115.29 125.18 3d7p s HIS 56 Ca -0.01 -0.37 0.00 0.00 -0.15 0.00 0.00 55.06 54.54 3d7p s HIS 56 Cb -0.16 -1.61 0.00 0.00 1.11 0.00 0.00 32.58 31.92 3d7p s HIS 56 CO -0.07 0.36 0.00 0.41 -0.85 0.00 0.00 174.74 174.59 3d7p n GLY 57 N -1.13 0.44 0.35 -2.22 0.00 -1.26 -4.94 105.19 96.43 3d7p n GLY 57 Ca -0.03 -0.68 -0.04 0.00 0.00 0.00 0.00 46.02 45.26 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 1.10 -8.22 0.99 3.38 -1.87 -3.47 115.31 107.22 3d7p h LEU 58 Ca -0.00 -0.11 -0.10 0.00 0.09 0.00 0.00 57.88 57.75 3d7p h LEU 58 Cb 0.02 -0.28 -0.05 0.00 0.09 0.00 0.00 40.66 40.44 3d7p h LEU 58 CO 0.01 0.91 0.03 0.28 0.09 0.00 0.00 178.44 179.75 3d7p s THR 59 N -5.75 0.00 0.29 0.22 -1.32 -1.26 -4.77 115.64 103.05 3d7p s THR 59 Ca -0.12 -1.28 0.09 0.00 -1.21 0.00 0.00 61.69 59.16 3d7p s THR 59 Cb 0.17 -2.55 -0.04 0.00 -1.51 0.00 0.00 72.50 68.56 3d7p s THR 59 CO 0.83 0.00 0.07 0.42 -2.21 0.00 0.00 174.62 173.73 3d7p s THR 60 N -3.11 3.36 0.31 5.08 -4.23 -1.26 -4.53 115.64 111.26 3d7p s THR 60 Ca 0.21 -1.79 0.02 0.00 -1.18 0.00 0.00 61.69 58.95 3d7p s THR 60 Cb -0.03 -2.94 0.29 0.00 1.34 0.00 0.00 72.50 71.16 3d7p s THR 60 CO 0.13 -0.30 1.89 1.05 -0.54 0.00 0.00 174.62 176.86 3d7p h GLU 61 N 1.73 0.94 -0.39 3.99 9.09 -1.98 -1.00 114.58 126.96 3d7p h GLU 61 Ca -0.44 -0.06 -0.00 0.00 0.05 0.00 0.00 59.36 58.91 3d7p h GLU 61 Cb 1.25 -0.21 -0.02 0.00 -1.65 0.00 0.00 28.75 28.12 3d7p h GLU 61 CO 0.62 0.62 0.23 0.93 0.05 0.00 0.00 179.01 181.46 3d7p h GLU 62 N 0.97 0.53 0.00 1.06 5.08 -2.04 -3.15 114.58 117.03 3d7p h GLU 62 Ca 0.41 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.72 3d7p h GLU 62 Cb 0.33 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.47 3d7p h GLU 62 CO -0.17 0.40 -0.44 0.93 -1.00 0.00 0.00 179.01 178.73 3d7p h GLU 63 N 0.51 0.00 -3.73 2.33 4.39 -1.88 -3.39 114.58 112.82 3d7p h GLU 63 Ca 0.14 0.00 -0.75 0.00 0.34 0.00 0.00 59.36 59.09 3d7p h GLU 63 Cb 0.01 0.00 -0.16 0.00 -0.10 0.00 0.00 28.75 28.50 3d7p h GLU 63 CO -0.03 0.00 1.88 0.34 -1.16 0.00 0.00 179.01 180.04 3d7p n PHE 64 N -2.66 3.31 -2.03 4.33 -0.00 -0.41 -4.96 117.46 115.04 3d7p n PHE 64 Ca 0.03 -2.89 -0.28 0.00 -0.00 0.00 0.00 57.45 54.30 3d7p n PHE 64 Cb 0.50 -1.98 0.13 0.00 -0.00 0.00 0.00 39.48 38.14 3d7p n PHE 64 CO 0.00 0.00 0.00 0.14 -0.00 0.00 0.00 176.76 176.90 3d7p s VAL 65 N 0.55 2.06 0.30 -2.13 -7.23 -1.26 -4.92 120.40 107.77 3d7p s VAL 65 Ca 0.40 -0.10 -0.28 0.00 -1.81 0.00 0.00 61.98 60.19 3d7p s VAL 65 Cb 0.07 -2.96 -0.13 0.00 0.56 0.00 0.00 36.38 33.92 3d7p s VAL 65 CO 0.01 0.00 1.16 1.21 -0.31 0.00 0.00 175.10 177.17 3d7p n GLU 66 N -3.41 1.72 -3.68 4.82 0.00 -1.26 -4.80 120.64 114.02 3d7p n GLU 66 Ca 0.12 0.60 0.00 0.00 0.00 0.00 0.00 57.16 57.88 3d7p n GLU 66 Cb 0.60 -2.09 0.00 0.00 0.00 0.00 0.00 31.44 29.96 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 1.13 -1.94 3.54 8.31 0.00 -0.87 -5.00 105.19 110.36 3d7p n GLY 67 Ca 0.08 -1.17 -0.36 0.00 0.00 0.00 0.00 46.02 44.56 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 -2.41 4.70 0.11 -0.61 1.01 -1.26 -0.68 121.20 122.06 3d7p s ILE 68 Ca 0.00 -0.05 0.10 0.00 0.00 0.00 0.00 60.65 60.70 3d7p s ILE 68 Cb 0.00 -3.18 -0.04 0.00 0.01 0.00 0.00 42.46 39.25 3d7p s ILE 68 CO 0.00 0.36 -0.22 -0.31 0.00 0.00 0.00 174.94 174.77 3d7p s TYR 69 N 1.22 2.43 -0.13 3.97 1.51 0.54 -0.66 117.35 126.22 3d7p s TYR 69 Ca 0.05 -0.32 0.02 0.00 -1.01 0.00 0.00 57.07 55.81 3d7p s TYR 69 Cb -0.14 -1.33 0.01 0.00 -0.11 0.00 0.00 41.96 40.39 3d7p s TYR 69 CO 0.04 0.32 -0.18 0.21 -1.11 0.00 0.00 175.55 174.84 3d7p s LYS 70 N -1.93 2.61 -0.21 -0.62 2.20 -0.35 -0.83 119.74 120.61 3d7p s LYS 70 Ca 0.15 -0.70 -0.07 0.00 -0.36 0.00 0.00 55.97 55.00 3d7p s LYS 70 Cb -0.10 -2.20 -0.03 0.00 -1.51 0.00 0.00 37.83 33.99 3d7p s LYS 70 CO 0.07 -0.09 0.05 0.08 -0.36 0.00 0.00 175.35 175.10 3d7p s VAL 71 N 1.04 4.41 -0.13 4.02 1.01 -0.31 -0.59 120.40 129.84 3d7p s VAL 71 Ca -0.04 -0.16 0.01 0.00 0.00 0.00 0.00 61.98 61.79 3d7p s VAL 71 Cb -0.15 -3.01 -0.01 0.00 0.00 0.00 0.00 36.38 33.21 3d7p s VAL 71 CO -0.05 0.41 -0.15 -1.61 0.00 0.00 0.00 175.10 173.70 3d7p s GLU 72 N 0.95 3.30 -0.19 2.72 2.02 0.88 -1.63 118.70 126.76 3d7p s GLU 72 Ca 0.03 -0.73 -0.03 0.00 0.02 0.00 0.00 54.97 54.27 3d7p s GLU 72 Cb -0.14 -2.58 -0.01 0.00 0.10 0.00 0.00 34.13 31.50 3d7p s GLU 72 CO 0.03 0.17 -0.07 0.42 0.02 0.00 0.00 175.26 175.82 3d7p s ILE 73 N 0.44 3.24 -1.29 -1.63 1.01 0.12 -0.74 121.20 122.35 3d7p s ILE 73 Ca -0.11 -0.55 -0.14 0.00 0.00 0.00 0.00 60.65 59.85 3d7p s ILE 73 Cb -0.16 -2.44 0.13 0.00 0.01 0.00 0.00 42.46 40.00 3d7p s ILE 73 CO 0.05 0.46 1.74 0.47 0.00 0.00 0.00 174.94 177.67 3d7p n ASP 74 N 4.38 4.92 0.05 3.58 8.00 0.21 -0.75 116.55 136.94 3d7p n ASP 74 Ca -0.18 -2.98 -0.12 0.00 0.71 0.00 0.00 54.79 52.22 3d7p n ASP 74 Cb 0.51 -1.60 -0.01 0.00 -0.02 0.00 0.00 41.12 40.01 3d7p n ASP 74 CO 0.00 0.00 0.00 0.71 -0.39 0.00 0.00 177.20 177.52 3d7p h THR 75 N 4.51 1.37 -0.09 -3.53 1.35 -1.86 -3.19 112.91 111.47 3d7p h THR 75 Ca 0.41 -2.21 0.03 0.00 -0.55 0.00 0.00 66.41 64.09 3d7p h THR 75 Cb 0.77 2.19 -0.03 0.00 -1.73 0.00 0.00 68.15 69.34 3d7p h THR 75 CO 1.49 0.67 -0.10 0.50 -0.25 0.00 0.00 175.52 177.83 3d7p h LYS 76 N 0.30 -0.13 -1.00 4.72 3.64 -1.62 -0.66 116.57 121.82 3d7p h LYS 76 Ca -0.05 0.01 0.04 0.00 -1.27 0.00 0.00 60.65 59.39 3d7p h LYS 76 Cb 1.40 0.03 -0.06 0.00 -0.41 0.00 0.00 32.23 33.19 3d7p h LYS 76 CO 0.14 -0.09 0.65 0.77 -2.27 0.00 0.00 179.45 178.65 3d7p h SER 77 N -0.14 1.08 0.20 4.20 0.02 -1.82 -1.44 113.55 115.65 3d7p h SER 77 Ca 0.07 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.01 3d7p h SER 77 Cb 0.23 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 62.52 3d7p h SER 77 CO -0.17 0.72 -0.17 0.22 -1.14 0.00 0.00 176.83 176.29 3d7p h TYR 78 N 1.24 -0.45 -0.30 3.45 3.20 -1.34 -2.21 116.97 120.56 3d7p h TYR 78 Ca 0.40 0.00 -0.05 0.00 3.14 0.00 0.00 58.73 62.23 3d7p h TYR 78 Cb 0.04 0.17 -0.01 0.00 1.54 0.00 0.00 36.73 38.47 3d7p h TYR 78 CO -0.00 -0.26 -0.00 -1.49 -1.64 0.00 0.00 178.16 174.76 3d7p h TRP 79 N -0.39 0.58 -0.92 -3.82 4.06 -0.82 -2.98 115.95 111.65 3d7p h TRP 79 Ca -0.01 -0.10 0.08 0.00 2.06 0.00 0.00 58.89 60.92 3d7p h TRP 79 Cb 0.36 -0.15 -0.07 0.00 -1.00 0.00 0.00 29.16 28.30 3d7p h TRP 79 CO -0.13 0.67 0.58 0.87 -3.56 0.00 0.00 178.44 176.87 3d7p h LYS 80 N 0.32 0.99 -0.00 0.49 1.57 -1.03 0.03 116.57 118.94 3d7p h LYS 80 Ca 0.08 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 58.79 3d7p h LYS 80 Cb 0.44 -0.22 -0.00 0.00 0.08 0.00 0.00 32.23 32.53 3d7p h LYS 80 CO 0.02 0.66 -0.05 0.00 -0.57 0.00 0.00 179.45 179.50 3d7p h ALA 81 N 1.45 1.91 -0.04 3.86 0.00 -1.26 -1.19 119.26 123.99 3d7p h ALA 81 Ca 0.41 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.28 3d7p h ALA 81 Cb 0.24 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.02 3d7p h ALA 81 CO -0.20 0.07 0.00 1.28 0.00 0.00 0.00 179.25 180.40 3d7p n LEU 82 N -4.48 1.63 0.00 0.00 4.77 -0.10 -4.94 117.00 113.88 3d7p n LEU 82 Ca -0.03 -0.56 0.00 0.00 -0.03 0.00 0.00 56.01 55.39 3d7p n LEU 82 Cb 0.13 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.21 3d7p n LEU 82 CO 0.35 0.28 0.00 0.61 -1.33 0.00 0.00 177.39 177.30 3d7p n GLY 83 N 1.18 0.69 3.28 -0.72 0.00 -0.45 -5.07 105.19 104.10 3d7p n GLY 83 Ca 0.18 -0.54 -0.32 0.00 0.00 0.00 0.00 46.02 45.34 3d7p n GLY 83 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3d7p s ILE 84 N -2.00 2.33 -0.37 -0.61 1.01 -0.63 -5.00 121.20 115.93 3d7p s ILE 84 Ca 0.00 -0.94 -0.24 0.00 0.00 0.00 0.00 60.65 59.48 3d7p s ILE 84 Cb 0.00 -1.90 0.01 0.00 0.01 0.00 0.00 42.46 40.58 3d7p s ILE 84 CO 0.00 0.56 0.80 -0.44 0.00 0.00 0.00 174.94 175.86 3d7p s SER 85 N 0.16 6.55 0.51 3.58 0.01 -1.26 -2.64 113.70 120.61 3d7p s SER 85 Ca -0.12 0.33 0.03 0.00 1.31 0.00 0.00 55.95 57.51 3d7p s SER 85 Cb -0.16 -2.40 0.03 0.00 0.21 0.00 0.00 66.02 63.69 3d7p s SER 85 CO 0.07 -0.77 0.71 -2.16 0.41 0.00 0.00 173.24 171.50 3d7p s PRO 86 N 3.18 2.65 -0.15 12.44 0.04 -1.26 -4.95 135.00 146.95 3d7p s PRO 86 Ca 0.32 -0.90 -0.27 0.00 0.04 0.00 0.00 61.00 60.19 3d7p s PRO 86 Cb -0.13 -2.57 -0.24 0.00 0.04 0.00 0.00 34.50 31.60 3d7p s PRO 86 CO 0.18 -0.57 0.69 0.35 0.04 0.00 0.00 177.00 177.69 3d7p h PHE 87 N 0.25 0.00 -3.64 0.56 3.57 -1.27 -3.48 116.94 112.93 3d7p h PHE 87 Ca -0.42 0.00 -0.50 0.00 3.53 0.00 0.00 57.97 60.58 3d7p h PHE 87 Cb 1.29 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 40.02 3d7p h PHE 87 CO 0.38 1.01 0.06 -1.01 -2.23 0.00 0.00 178.31 176.52 3d7p s HIS 88 N -2.21 3.42 0.07 0.41 3.76 -1.26 -4.99 115.29 114.49 3d7p s HIS 88 Ca -0.19 1.06 -0.17 0.00 -0.15 0.00 0.00 55.06 55.61 3d7p s HIS 88 Cb -0.02 -2.43 -0.13 0.00 1.11 0.00 0.00 32.58 31.11 3d7p s HIS 88 CO 0.66 0.04 1.34 0.93 -0.85 0.00 0.00 174.74 176.85 3d7p h GLU 89 N 1.85 0.59 -3.84 1.40 4.39 -1.97 -3.34 114.58 113.65 3d7p h GLU 89 Ca -0.47 -0.37 -0.10 0.00 0.34 0.00 0.00 59.36 58.75 3d7p h GLU 89 Cb 1.18 0.04 -0.10 0.00 -0.10 0.00 0.00 28.75 29.77 3d7p h GLU 89 CO 0.65 0.98 -0.21 -1.01 -1.16 0.00 0.00 179.01 178.26 3d7p s HIS 90 N -4.09 0.54 -0.13 4.33 3.76 -1.26 -2.52 115.29 115.93 3d7p s HIS 90 Ca -0.13 -0.87 -0.05 0.00 -0.15 0.00 0.00 55.06 53.86 3d7p s HIS 90 Cb 0.07 0.04 -0.04 0.00 1.11 0.00 0.00 32.58 33.76 3d7p s HIS 90 CO 0.82 -0.94 0.04 0.00 -0.85 0.00 0.00 174.74 173.81 3d7p s ALA 91 N -4.00 3.40 0.01 -1.40 0.00 0.07 -4.86 121.76 114.98 3d7p s ALA 91 Ca 0.26 -0.76 0.01 0.00 0.00 0.00 0.00 51.96 51.47 3d7p s ALA 91 Cb 0.01 -1.71 -0.01 0.00 0.00 0.00 0.00 23.12 21.41 3d7p s ALA 91 CO 0.10 0.43 -0.03 -1.21 0.00 0.00 0.00 175.76 175.05 3d7p s GLU 92 N -0.40 0.27 -0.07 0.00 2.02 -1.26 0.12 118.70 119.39 3d7p s GLU 92 Ca 0.09 -0.35 -0.06 0.00 0.02 0.00 0.00 54.97 54.67 3d7p s GLU 92 Cb -0.12 -0.10 0.02 0.00 0.10 0.00 0.00 34.13 34.03 3d7p s GLU 92 CO 0.02 0.02 0.18 0.54 0.02 0.00 0.00 175.26 176.04 3d7p s VAL 93 N -0.70 -0.01 -0.08 2.63 0.11 -0.64 -5.00 120.40 116.72 3d7p s VAL 93 Ca -0.06 0.02 0.03 0.00 -2.93 0.00 0.00 61.98 59.04 3d7p s VAL 93 Cb -0.05 -0.26 -0.02 0.00 -1.53 0.00 0.00 36.38 34.52 3d7p s VAL 93 CO -0.00 0.01 -0.17 -0.69 -3.33 0.00 0.00 175.10 170.92 3d7p s VAL 94 N 0.25 2.80 0.07 2.04 1.01 -1.26 -1.16 120.40 124.14 3d7p s VAL 94 Ca -0.01 -0.79 -0.18 0.00 0.00 0.00 0.00 61.98 61.00 3d7p s VAL 94 Cb -0.03 -2.11 0.04 0.00 0.00 0.00 0.00 36.38 34.29 3d7p s VAL 94 CO -0.01 0.56 0.42 0.72 0.00 0.00 0.00 175.10 176.80 3d7p s PHE 95 N -0.21 -0.26 -0.08 5.22 -0.12 -0.01 -4.99 117.98 117.53 3d7p s PHE 95 Ca -0.00 0.15 -0.20 0.00 -0.05 0.00 0.00 56.93 56.82 3d7p s PHE 95 Cb -0.13 0.25 -0.04 0.00 -0.63 0.00 0.00 43.02 42.46 3d7p s PHE 95 CO 0.03 -0.62 0.55 0.99 -0.05 0.00 0.00 175.22 176.12 3d7p s THR 96 N -2.90 5.10 0.03 -4.49 2.01 -1.26 -0.34 115.64 113.79 3d7p s THR 96 Ca -0.03 1.13 0.08 0.00 0.31 0.00 0.00 61.69 63.18 3d7p s THR 96 Cb 0.00 -3.89 -0.03 0.00 0.01 0.00 0.00 72.50 68.59 3d7p s THR 96 CO -0.05 0.33 -0.21 0.00 -0.69 0.00 0.00 174.62 174.00 3d7p s ALA 97 N 0.48 2.46 -1.68 7.40 0.00 0.15 -4.79 121.76 125.77 3d7p s ALA 97 Ca 0.30 -1.20 0.00 0.00 0.00 0.00 0.00 51.96 51.06 3d7p s ALA 97 Cb -0.16 -0.66 0.00 0.00 0.00 0.00 0.00 23.12 22.30 3d7p s ALA 97 CO 0.14 0.56 0.00 0.09 0.00 0.00 0.00 175.76 176.54 3d7p n ASN 98 N 1.75 -5.10 -0.02 0.00 3.02 -1.26 -2.06 115.26 111.60 3d7p n ASN 98 Ca -0.16 0.22 0.13 0.00 -0.03 0.00 0.00 54.58 54.74 3d7p n ASN 98 Cb 0.52 -4.16 0.52 0.00 -0.61 0.00 0.00 39.78 36.05 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 -1.05 0.21 -0.76 6.41 2.03 -1.26 -2.44 116.55 119.69 3d7p n ASP 99 Ca -0.19 0.10 0.09 0.00 0.52 0.00 0.00 54.79 55.31 3d7p n ASP 99 Cb 0.61 -0.21 0.24 0.00 -0.72 0.00 0.00 41.12 41.04 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 -1.41 3.63 0.00 1.67 7.64 -1.26 -5.09 113.62 118.80 3d7p n SER 100 Ca 0.08 -3.00 0.00 0.00 1.01 0.00 0.00 58.87 56.96 3d7p n SER 100 Cb 0.33 -0.52 0.00 0.00 -1.01 0.00 0.00 64.21 63.01 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 -0.62 1.74 3.74 0.23 0.00 -1.02 -5.02 105.19 104.23 3d7p n GLY 101 Ca 0.20 -2.04 -0.42 0.00 0.00 0.00 0.00 46.02 43.76 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 -2.03 4.18 0.16 1.61 0.04 -1.26 -4.24 135.00 133.46 3d7p s PRO 102 Ca 0.00 2.45 0.02 0.00 0.04 0.00 0.00 61.00 63.52 3d7p s PRO 102 Cb 0.00 -3.09 -0.05 0.00 0.04 0.00 0.00 34.50 31.41 3d7p s PRO 102 CO 0.00 -0.58 -0.03 1.03 0.04 0.00 0.00 177.00 177.46 3d7p s ARG 103 N 0.16 1.07 -0.16 4.56 1.81 -1.26 -4.93 118.95 120.19 3d7p s ARG 103 Ca 0.65 -1.49 -0.11 0.00 -1.72 0.00 0.00 55.73 53.06 3d7p s ARG 103 Cb -0.45 -0.33 -0.05 0.00 -0.45 0.00 0.00 34.95 33.67 3d7p s ARG 103 CO 0.40 -0.08 0.21 1.03 -0.68 0.00 0.00 175.30 176.19 3d7p s ARG 104 N -3.87 4.11 -0.09 3.54 0.52 -0.20 -4.86 118.95 118.11 3d7p s ARG 104 Ca 0.21 -0.05 0.04 0.00 -0.52 0.00 0.00 55.73 55.41 3d7p s ARG 104 Cb 0.05 -3.38 -0.01 0.00 0.52 0.00 0.00 34.95 32.13 3d7p s ARG 104 CO 0.02 0.35 -0.23 0.71 0.02 0.00 0.00 175.30 176.18 3d7p s TYR 105 N 0.17 2.56 -0.14 -0.53 1.51 0.77 -1.10 117.35 120.58 3d7p s TYR 105 Ca 0.13 -0.88 0.01 0.00 -1.01 0.00 0.00 57.07 55.32 3d7p s TYR 105 Cb -0.12 -1.69 0.00 0.00 -0.11 0.00 0.00 41.96 40.04 3d7p s TYR 105 CO 0.02 -0.32 -0.18 0.99 -1.11 0.00 0.00 175.55 174.95 3d7p s THR 106 N 0.17 2.46 -0.41 -0.71 2.01 -0.10 -1.00 115.64 118.05 3d7p s THR 106 Ca -0.13 -0.85 -0.15 0.00 0.31 0.00 0.00 61.69 60.88 3d7p s THR 106 Cb -0.16 -2.02 0.02 0.00 0.01 0.00 0.00 72.50 70.36 3d7p s THR 106 CO 0.07 0.53 0.30 -0.63 -0.69 0.00 0.00 174.62 174.20 3d7p s ILE 107 N 0.75 5.22 -0.32 1.82 -1.09 0.01 -0.23 121.20 127.35 3d7p s ILE 107 Ca -0.07 -0.70 -0.12 0.00 -2.23 0.00 0.00 60.65 57.53 3d7p s ILE 107 Cb -0.16 -3.93 -0.02 0.00 -1.58 0.00 0.00 42.46 36.77 3d7p s ILE 107 CO 0.00 -0.33 0.22 0.00 -1.23 0.00 0.00 174.94 173.61 3d7p s ALA 108 N 1.67 3.48 -0.08 9.38 0.00 0.07 -0.98 121.76 135.30 3d7p s ALA 108 Ca 0.05 -1.31 0.02 0.00 0.00 0.00 0.00 51.96 50.71 3d7p s ALA 108 Cb -0.19 -2.59 -0.02 0.00 0.00 0.00 0.00 23.12 20.31 3d7p s ALA 108 CO 0.10 -0.86 -0.12 0.00 0.00 0.00 0.00 175.76 174.87 3d7p s ALA 109 N 1.72 2.71 -0.15 0.00 0.00 0.52 -0.90 121.76 125.66 3d7p s ALA 109 Ca 0.06 -0.93 0.01 0.00 0.00 0.00 0.00 51.96 51.10 3d7p s ALA 109 Cb -0.17 -1.12 0.00 0.00 0.00 0.00 0.00 23.12 21.84 3d7p s ALA 109 CO 0.10 0.44 -0.18 -1.17 0.00 0.00 0.00 175.76 174.95 3d7p s LEU 110 N -0.34 2.32 -0.14 0.00 2.96 -0.33 -0.93 118.68 122.22 3d7p s LEU 110 Ca 0.04 -0.53 -0.00 0.00 -0.22 0.00 0.00 54.13 53.41 3d7p s LEU 110 Cb -0.13 -1.51 -0.01 0.00 0.50 0.00 0.00 46.19 45.04 3d7p s LEU 110 CO 0.02 0.07 -0.13 -0.76 -1.32 0.00 0.00 176.35 174.24 3d7p s LEU 111 N 0.87 2.71 0.28 -0.68 1.43 0.14 -1.70 118.68 121.72 3d7p s LEU 111 Ca -0.05 -0.34 0.08 0.00 -1.03 0.00 0.00 54.13 52.78 3d7p s LEU 111 Cb -0.15 -1.62 -0.06 0.00 0.03 0.00 0.00 46.19 44.40 3d7p s LEU 111 CO -0.02 0.14 -0.09 -0.44 0.23 0.00 0.00 176.35 176.17 3d7p s SER 112 N 0.48 2.97 0.39 2.29 0.01 0.76 -0.74 113.70 119.86 3d7p s SER 112 Ca -0.09 -1.15 0.08 0.00 1.31 0.00 0.00 55.95 56.11 3d7p s SER 112 Cb -0.16 -0.21 0.84 0.00 0.21 0.00 0.00 66.02 66.71 3d7p s SER 112 CO 0.04 -0.25 1.98 -0.65 0.41 0.00 0.00 173.24 174.77 3d7p h PRO 113 N 2.28 0.61 -0.10 12.44 0.11 -1.99 -2.86 132.00 142.49 3d7p h PRO 113 Ca -0.40 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 65.67 3d7p h PRO 113 Cb 1.24 -0.14 -0.00 0.00 0.11 0.00 0.00 31.00 32.21 3d7p h PRO 113 CO 0.66 0.40 -0.01 0.66 -0.21 0.00 0.00 178.00 179.51 3d7p n TYR 114 N -4.48 0.37 -3.57 0.65 4.02 -1.26 -0.70 117.16 112.20 3d7p n TYR 114 Ca 0.09 -0.96 -0.14 0.00 -0.01 0.00 0.00 57.90 56.88 3d7p n TYR 114 Cb 0.24 -0.22 -0.06 0.00 -0.02 0.00 0.00 39.34 39.29 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 -2.53 -0.52 0.13 7.72 0.15 -1.08 -4.99 113.70 112.59 3d7p s SER 115 Ca 0.36 0.66 -0.13 0.00 0.70 0.00 0.00 55.95 57.54 3d7p s SER 115 Cb 0.31 0.55 0.01 0.00 -1.71 0.00 0.00 66.02 65.18 3d7p s SER 115 CO 0.05 -0.42 0.33 -0.72 1.20 0.00 0.00 173.24 173.68 3d7p s TYR 116 N -0.88 0.04 0.04 3.44 -0.85 -1.26 -0.17 117.35 117.70 3d7p s TYR 116 Ca -0.05 -0.40 0.05 0.00 -0.52 0.00 0.00 57.07 56.15 3d7p s TYR 116 Cb -0.01 0.12 -0.02 0.00 0.38 0.00 0.00 41.96 42.43 3d7p s TYR 116 CO 0.04 -0.69 -0.15 -1.54 -1.52 0.00 0.00 175.55 171.69 3d7p s SER 117 N -2.86 1.76 -0.10 -0.18 1.04 -0.69 -4.99 113.70 107.69 3d7p s SER 117 Ca 0.07 -0.45 0.02 0.00 0.48 0.00 0.00 55.95 56.07 3d7p s SER 117 Cb 0.03 -0.12 0.02 0.00 0.10 0.00 0.00 66.02 66.04 3d7p s SER 117 CO -0.08 0.06 -0.13 0.42 0.98 0.00 0.00 173.24 174.49 3d7p s THR 118 N -0.80 1.32 -0.04 2.02 -4.23 -1.26 -1.19 115.64 111.46 3d7p s THR 118 Ca 0.03 -0.54 0.05 0.00 -1.18 0.00 0.00 61.69 60.05 3d7p s THR 118 Cb -0.08 -1.22 -0.01 0.00 1.34 0.00 0.00 72.50 72.53 3d7p s THR 118 CO 0.01 0.40 -0.20 -0.89 -0.54 0.00 0.00 174.62 173.40 3d7p s THR 119 N 0.98 1.67 -0.27 3.99 2.01 -0.07 -4.97 115.64 118.98 3d7p s THR 119 Ca -0.08 -0.87 -0.13 0.00 0.31 0.00 0.00 61.69 60.93 3d7p s THR 119 Cb -0.15 -1.42 -0.04 0.00 0.01 0.00 0.00 72.50 70.90 3d7p s THR 119 CO -0.01 0.47 0.26 0.00 -0.69 0.00 0.00 174.62 174.66 3d7p s ALA 120 N -0.16 3.55 -0.33 7.40 0.00 -1.26 -0.75 121.76 130.20 3d7p s ALA 120 Ca -0.01 -0.97 -0.11 0.00 0.00 0.00 0.00 51.96 50.88 3d7p s ALA 120 Cb -0.11 -2.57 -0.01 0.00 0.00 0.00 0.00 23.12 20.43 3d7p s ALA 120 CO 0.02 -0.58 0.19 0.08 0.00 0.00 0.00 175.76 175.47 3d7p s VAL 121 N 1.85 4.82 -0.18 0.00 1.01 0.67 -4.96 120.40 123.61 3d7p s VAL 121 Ca 0.10 -0.41 0.01 0.00 0.00 0.00 0.00 61.98 61.68 3d7p s VAL 121 Cb -0.16 -3.49 0.01 0.00 0.00 0.00 0.00 36.38 32.75 3d7p s VAL 121 CO 0.10 0.01 -0.18 -0.69 0.00 0.00 0.00 175.10 174.33 3d7p s VAL 122 N 1.64 2.23 0.33 2.92 1.01 -1.26 -0.93 120.40 126.35 3d7p s VAL 122 Ca 0.05 -0.89 0.03 0.00 0.00 0.00 0.00 61.98 61.17 3d7p s VAL 122 Cb -0.17 -1.94 -0.05 0.00 0.00 0.00 0.00 36.38 34.22 3d7p s VAL 122 CO 0.08 0.53 0.09 0.42 0.00 0.00 0.00 175.10 176.21 3d7p s THR 123 N 1.22 0.85 0.00 3.92 -4.23 -0.26 -4.97 115.64 112.17 3d7p s THR 123 Ca 0.03 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.54 3d7p s THR 123 Cb -0.14 -2.62 0.00 0.00 1.34 0.00 0.00 72.50 71.08 3d7p s THR 123 CO -0.10 0.00 0.00 0.59 -0.54 0.00 0.00 174.62 174.57