#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dvq h PRO 11 N 0.00 0.00 -3.46 0.00 0.13 -1.89 -3.44 132.00 123.35 1dvq h PRO 11 Ca 0.00 0.00 -0.44 0.00 -0.87 0.00 0.00 66.00 64.69 1dvq h PRO 11 Cb 0.00 0.00 -0.39 0.00 0.13 0.00 0.00 31.00 30.74 1dvq h PRO 11 CO 0.00 0.00 -0.76 -1.17 -0.23 0.00 0.00 178.00 175.84 1dvq s LEU 12 N -5.68 0.53 0.02 1.56 2.96 -1.26 0.30 118.68 117.12 1dvq s LEU 12 Ca 0.08 -0.26 0.04 0.00 -0.22 0.00 0.00 54.13 53.76 1dvq s LEU 12 Cb 0.07 -0.35 -0.02 0.00 0.50 0.00 0.00 46.19 46.39 1dvq s LEU 12 CO 0.66 -0.26 -0.12 -0.32 -1.32 0.00 0.00 176.35 174.99 1dvq s MET 13 N 2.03 0.87 -0.03 1.98 1.75 0.24 -4.37 119.30 121.77 1dvq s MET 13 Ca 0.03 -0.62 0.05 0.00 -1.25 0.00 0.00 55.69 53.90 1dvq s MET 13 Cb -0.14 -0.85 -0.01 0.00 2.84 0.00 0.00 34.83 36.68 1dvq s MET 13 CO -0.06 0.22 -0.17 0.08 -0.65 0.00 0.00 175.02 174.44 1dvq s VAL 14 N -0.67 1.42 -0.05 10.11 1.01 -1.08 -0.19 120.40 130.95 1dvq s VAL 14 Ca 0.02 -0.73 0.02 0.00 0.00 0.00 0.00 61.98 61.29 1dvq s VAL 14 Cb -0.07 -1.21 0.01 0.00 0.00 0.00 0.00 36.38 35.12 1dvq s VAL 14 CO 0.01 0.41 -0.09 -0.75 0.00 0.00 0.00 175.10 174.67 1dvq s LYS 15 N -0.11 1.25 -0.07 2.72 2.20 0.05 -0.96 119.74 124.82 1dvq s LYS 15 Ca -0.00 -0.29 0.03 0.00 -0.36 0.00 0.00 55.97 55.35 1dvq s LYS 15 Cb -0.10 -1.10 0.01 0.00 -1.51 0.00 0.00 37.83 35.13 1dvq s LYS 15 CO 0.01 0.01 -0.16 0.08 -0.36 0.00 0.00 175.35 174.94 1dvq s VAL 16 N 0.64 1.39 0.16 4.02 1.01 0.23 -0.62 120.40 127.22 1dvq s VAL 16 Ca -0.11 -0.64 0.11 0.00 0.00 0.00 0.00 61.98 61.33 1dvq s VAL 16 Cb -0.14 -1.23 -0.04 0.00 0.00 0.00 0.00 36.38 34.96 1dvq s VAL 16 CO 0.02 0.41 -0.22 -0.76 0.00 0.00 0.00 175.10 174.55 1dvq s LEU 17 N 0.47 2.50 -0.31 3.92 1.43 -0.20 -0.49 118.68 126.01 1dvq s LEU 17 Ca -0.14 -0.74 -0.09 0.00 -1.03 0.00 0.00 54.13 52.14 1dvq s LEU 17 Cb -0.15 -1.31 0.00 0.00 0.03 0.00 0.00 46.19 44.76 1dvq s LEU 17 CO 0.05 0.15 0.13 -0.62 0.23 0.00 0.00 176.35 176.29 1dvq s ASP 18 N -2.39 5.41 0.00 2.29 -1.08 0.15 -0.89 116.67 120.16 1dvq s ASP 18 Ca 0.18 -0.62 0.29 0.00 -0.52 0.00 0.00 52.55 51.88 1dvq s ASP 18 Cb -0.09 -1.96 1.16 0.00 -1.46 0.00 0.00 42.92 40.57 1dvq s ASP 18 CO 0.09 -0.21 1.87 0.00 0.52 0.00 0.00 175.17 177.44 1dvq n ALA 19 N 4.94 2.53 0.02 3.66 0.00 -0.20 -1.49 120.51 129.97 1dvq n ALA 19 Ca -0.14 -0.14 -0.21 0.00 0.00 0.00 0.00 53.44 52.94 1dvq n ALA 19 Cb 0.48 -1.42 -0.14 0.00 0.00 0.00 0.00 19.45 18.38 1dvq n ALA 19 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1dvq h VAL 20 N 0.02 0.70 0.00 0.00 2.07 -1.94 -3.39 116.25 113.71 1dvq h VAL 20 Ca 0.00 -2.39 0.00 0.00 0.82 0.00 0.00 66.70 65.13 1dvq h VAL 20 Cb 0.48 2.56 0.00 0.00 -1.52 0.00 0.00 31.29 32.81 1dvq h VAL 20 CO 0.00 0.88 -1.18 0.54 0.02 0.00 0.00 177.57 177.83 1dvq n ARG 21 N -3.49 0.38 -2.91 1.57 1.74 -1.24 -5.00 116.66 107.70 1dvq n ARG 21 Ca -0.30 -0.04 -0.11 0.00 -0.77 0.00 0.00 57.85 56.63 1dvq n ARG 21 Cb 1.05 -1.47 0.05 0.00 -1.02 0.00 0.00 32.46 31.08 1dvq n ARG 21 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1dvq n GLY 22 N 1.44 0.04 3.53 -0.13 0.00 -0.56 -5.04 105.19 104.49 1dvq n GLY 22 Ca 0.02 -0.16 -0.09 0.00 0.00 0.00 0.00 46.02 45.79 1dvq n GLY 22 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1dvq s SER 23 N -3.54 -0.08 0.57 1.61 1.04 -1.08 -5.00 113.70 107.22 1dvq s SER 23 Ca 0.12 -0.91 -0.18 0.00 0.48 0.00 0.00 55.95 55.46 1dvq s SER 23 Cb -0.05 0.56 -0.05 0.00 0.10 0.00 0.00 66.02 66.58 1dvq s SER 23 CO 0.41 -1.09 1.12 -2.16 0.98 0.00 0.00 173.24 172.49 1dvq s PRO 24 N -4.01 3.25 -0.53 4.02 0.04 -1.26 0.32 135.00 136.83 1dvq s PRO 24 Ca 0.21 1.52 -0.23 0.00 0.04 0.00 0.00 61.00 62.55 1dvq s PRO 24 Cb 0.00 -2.00 0.04 0.00 0.04 0.00 0.00 34.50 32.59 1dvq s PRO 24 CO 0.07 -0.92 0.86 0.00 0.04 0.00 0.00 177.00 177.05 1dvq s ALA 25 N -1.95 3.22 0.18 8.56 0.00 0.36 -4.59 121.76 127.54 1dvq s ALA 25 Ca 0.71 -1.33 -0.15 0.00 0.00 0.00 0.00 51.96 51.19 1dvq s ALA 25 Cb -0.22 -3.63 -0.07 0.00 0.00 0.00 0.00 23.12 19.20 1dvq s ALA 25 CO 0.30 -2.26 0.59 0.42 0.00 0.00 0.00 175.76 174.82 1dvq s ILE 26 N 3.60 4.80 -1.54 0.00 1.01 -1.26 -4.29 121.20 123.53 1dvq s ILE 26 Ca 0.27 0.87 -0.05 0.00 0.00 0.00 0.00 60.65 61.74 1dvq s ILE 26 Cb -0.14 -3.73 0.01 0.00 0.01 0.00 0.00 42.46 38.61 1dvq s ILE 26 CO 0.18 0.17 0.59 0.59 0.00 0.00 0.00 174.94 176.46 1dvq n ASN 27 N 0.58 -5.89 -4.70 3.58 3.02 -0.46 -4.94 115.26 106.46 1dvq n ASN 27 Ca -0.03 -0.29 -0.39 0.00 -0.03 0.00 0.00 54.58 53.83 1dvq n ASN 27 Cb 0.52 -4.77 -0.06 0.00 -0.61 0.00 0.00 39.78 34.87 1dvq n ASN 27 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1dvq s VAL 28 N -3.15 5.09 0.19 2.41 1.01 -1.26 -4.74 120.40 119.95 1dvq s VAL 28 Ca 0.31 1.19 -0.30 0.00 0.00 0.00 0.00 61.98 63.18 1dvq s VAL 28 Cb -0.14 -3.93 -0.08 0.00 0.00 0.00 0.00 36.38 32.23 1dvq s VAL 28 CO 0.38 0.23 1.11 0.00 0.00 0.00 0.00 175.10 176.82 1dvq s ALA 29 N 1.09 3.38 -0.06 5.51 0.00 -1.26 -1.56 121.76 128.86 1dvq s ALA 29 Ca 0.31 0.83 0.02 0.00 0.00 0.00 0.00 51.96 53.12 1dvq s ALA 29 Cb -0.16 -3.35 0.01 0.00 0.00 0.00 0.00 23.12 19.62 1dvq s ALA 29 CO 0.13 -0.21 -0.11 0.08 0.00 0.00 0.00 175.76 175.64 1dvq s VAL 30 N -0.32 1.04 -0.08 0.00 1.01 0.77 -1.27 120.40 121.54 1dvq s VAL 30 Ca 0.49 -0.42 0.04 0.00 0.00 0.00 0.00 61.98 62.10 1dvq s VAL 30 Cb -0.30 -0.96 -0.00 0.00 0.00 0.00 0.00 36.38 35.12 1dvq s VAL 30 CO 0.36 0.33 -0.22 -1.00 0.00 0.00 0.00 175.10 174.57 1dvq s HIS 31 N 0.72 2.30 -0.07 5.22 3.76 0.14 -1.30 115.29 126.07 1dvq s HIS 31 Ca -0.14 -0.84 0.02 0.00 -0.15 0.00 0.00 55.06 53.95 1dvq s HIS 31 Cb -0.16 -1.54 -0.02 0.00 1.11 0.00 0.00 32.58 31.97 1dvq s HIS 31 CO 0.03 -0.32 -0.13 0.08 -0.85 0.00 0.00 174.74 173.55 1dvq s VAL 32 N 0.21 3.16 0.13 -0.90 1.01 0.13 0.17 120.40 124.31 1dvq s VAL 32 Ca -0.13 -0.68 0.07 0.00 0.00 0.00 0.00 61.98 61.24 1dvq s VAL 32 Cb -0.16 -2.26 -0.04 0.00 0.00 0.00 0.00 36.38 33.92 1dvq s VAL 32 CO 0.06 0.58 -0.16 -0.36 0.00 0.00 0.00 175.10 175.22 1dvq s PHE 33 N -0.52 1.54 -0.06 5.22 0.40 0.63 -0.62 117.98 124.58 1dvq s PHE 33 Ca 0.07 -0.51 0.04 0.00 -0.60 0.00 0.00 56.93 55.93 1dvq s PHE 33 Cb -0.12 -0.80 -0.00 0.00 0.51 0.00 0.00 43.02 42.61 1dvq s PHE 33 CO 0.02 0.19 -0.20 0.50 0.70 0.00 0.00 175.22 176.43 1dvq s ARG 34 N -2.55 2.19 -0.07 0.44 3.52 -0.43 -0.69 118.95 121.35 1dvq s ARG 34 Ca 0.10 -0.70 -0.30 0.00 -0.13 0.00 0.00 55.73 54.70 1dvq s ARG 34 Cb -0.06 -1.81 -0.04 0.00 -1.56 0.00 0.00 34.95 31.48 1dvq s ARG 34 CO 0.04 0.24 1.32 0.21 -0.81 0.00 0.00 175.30 176.30 1dvq s LYS 35 N 0.13 4.28 0.78 5.12 2.20 -0.34 -1.27 119.74 130.65 1dvq s LYS 35 Ca -0.08 1.81 -0.08 0.00 -0.36 0.00 0.00 55.97 57.26 1dvq s LYS 35 Cb -0.14 -3.66 0.11 0.00 -1.51 0.00 0.00 37.83 32.64 1dvq s LYS 35 CO 0.04 -0.60 1.10 0.00 -0.36 0.00 0.00 175.35 175.53 1dvq s ALA 36 N 2.79 3.03 0.25 3.13 0.00 0.16 -4.72 121.76 126.40 1dvq s ALA 36 Ca 0.60 -1.19 -0.03 0.00 0.00 0.00 0.00 51.96 51.33 1dvq s ALA 36 Cb -0.27 -2.51 0.49 0.00 0.00 0.00 0.00 23.12 20.83 1dvq s ALA 36 CO 0.22 -1.65 1.73 0.00 0.00 0.00 0.00 175.76 176.06 1dvq h ALA 37 N -0.87 1.11 -0.12 0.00 0.00 -1.95 -1.38 119.26 116.05 1dvq h ALA 37 Ca -0.42 0.12 -0.05 0.00 0.00 0.00 0.00 54.91 54.55 1dvq h ALA 37 Cb 1.28 0.08 -0.03 0.00 0.00 0.00 0.00 17.79 19.13 1dvq h ALA 37 CO 0.49 -0.21 0.06 -0.40 0.00 0.00 0.00 179.25 179.20 1dvq n ASP 38 N -4.99 2.73 -2.86 0.00 5.75 -1.26 -4.82 116.55 111.10 1dvq n ASP 38 Ca 0.15 -2.19 -0.21 0.00 -0.01 0.00 0.00 54.79 52.53 1dvq n ASP 38 Cb 0.43 -0.54 0.01 0.00 -1.03 0.00 0.00 41.12 40.00 1dvq n ASP 38 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 1dvq n ASP 39 N 0.23 -5.36 -4.59 -1.12 8.00 -0.52 -4.99 116.55 108.21 1dvq n ASP 39 Ca 0.07 -0.18 -0.31 0.00 0.71 0.00 0.00 54.79 55.08 1dvq n ASP 39 Cb 0.59 -4.40 -0.10 0.00 -0.02 0.00 0.00 41.12 37.18 1dvq n ASP 39 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1dvq s THR 40 N -3.03 3.57 -0.49 -3.53 2.01 -1.25 -4.88 115.64 108.04 1dvq s THR 40 Ca 0.21 -0.94 -0.23 0.00 0.31 0.00 0.00 61.69 61.04 1dvq s THR 40 Cb -0.10 -2.59 0.03 0.00 0.01 0.00 0.00 72.50 69.86 1dvq s THR 40 CO 0.26 0.30 0.81 0.26 -0.69 0.00 0.00 174.62 175.55 1dvq s TRP 41 N -1.08 2.94 -0.12 4.92 0.52 -1.26 0.40 118.94 125.26 1dvq s TRP 41 Ca 0.19 0.02 -0.06 0.00 0.02 0.00 0.00 56.10 56.27 1dvq s TRP 41 Cb -0.11 -3.76 -0.04 0.00 -1.15 0.00 0.00 33.47 28.41 1dvq s TRP 41 CO 0.10 -1.10 0.12 -1.83 0.02 0.00 0.00 176.95 174.26 1dvq s GLU 42 N 3.40 3.38 0.24 4.98 -1.05 -0.39 -4.88 118.70 124.38 1dvq s GLU 42 Ca 0.28 -0.17 -0.30 0.00 -0.15 0.00 0.00 54.97 54.62 1dvq s GLU 42 Cb -0.13 -3.13 -0.14 0.00 -0.44 0.00 0.00 34.13 30.28 1dvq s GLU 42 CO 0.20 0.76 1.19 -2.30 0.95 0.00 0.00 175.26 176.06 1dvq n PRO 43 N 2.03 1.52 0.00 -4.83 -0.02 -1.26 -1.31 135.00 131.13 1dvq n PRO 43 Ca -0.20 0.54 0.00 0.00 -2.02 0.00 0.00 63.50 61.82 1dvq n PRO 43 Cb 0.55 -2.04 0.00 0.00 -0.02 0.00 0.00 33.50 31.98 1dvq n PRO 43 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 1dvq n PHE 44 N 1.09 0.00 -3.55 6.00 7.35 0.21 -4.76 117.46 123.81 1dvq n PHE 44 Ca 0.12 0.00 -0.06 0.00 -0.76 0.00 0.00 57.45 56.74 1dvq n PHE 44 Cb 0.30 0.01 -0.02 0.00 0.35 0.00 0.00 39.48 40.12 1dvq n PHE 44 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1dvq s ALA 45 N -1.92 -1.94 0.19 3.13 0.00 -1.05 -5.00 121.76 115.17 1dvq s ALA 45 Ca 0.00 1.27 -0.20 0.00 0.00 0.00 0.00 51.96 53.02 1dvq s ALA 45 Cb 0.00 0.17 0.05 0.00 0.00 0.00 0.00 23.12 23.34 1dvq s ALA 45 CO 0.00 -0.65 0.58 -1.54 0.00 0.00 0.00 175.76 174.15 1dvq s SER 46 N -2.35 -0.39 -0.03 0.00 1.04 -1.26 0.18 113.70 110.87 1dvq s SER 46 Ca 0.07 -0.28 -0.14 0.00 0.48 0.00 0.00 55.95 56.08 1dvq s SER 46 Cb -0.01 0.61 0.05 0.00 0.10 0.00 0.00 66.02 66.76 1dvq s SER 46 CO -0.07 -1.05 0.64 0.61 0.98 0.00 0.00 173.24 174.35 1dvq n GLY 47 N -0.37 0.31 3.18 7.32 0.00 -0.42 -4.99 105.19 110.21 1dvq n GLY 47 Ca -0.13 -0.91 -0.23 0.00 0.00 0.00 0.00 46.02 44.76 1dvq n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1dvq s LYS 48 N -2.00 1.17 0.50 1.61 1.02 -1.26 -0.16 119.74 120.61 1dvq s LYS 48 Ca 0.15 -0.77 -0.22 0.00 0.02 0.00 0.00 55.97 55.16 1dvq s LYS 48 Cb -0.00 -1.20 -0.07 0.00 -0.52 0.00 0.00 37.83 36.04 1dvq s LYS 48 CO -0.01 0.31 1.16 0.95 -0.92 0.00 0.00 175.35 176.84 1dvq s THR 49 N -0.71 3.06 0.09 2.17 -4.23 -0.60 -4.77 115.64 110.65 1dvq s THR 49 Ca 0.05 0.74 -0.01 0.00 -1.18 0.00 0.00 61.69 61.29 1dvq s THR 49 Cb -0.08 -3.35 0.02 0.00 1.34 0.00 0.00 72.50 70.43 1dvq s THR 49 CO 0.01 -0.06 0.12 -1.54 -0.54 0.00 0.00 174.62 172.61 1dvq n SER 50 N -0.83 0.06 0.31 3.99 3.41 0.55 -1.35 113.62 119.76 1dvq n SER 50 Ca 0.09 -1.07 0.17 0.00 -0.26 0.00 0.00 58.87 57.80 1dvq n SER 50 Cb 0.49 -0.09 0.98 0.00 -0.26 0.00 0.00 64.21 65.33 1dvq n SER 50 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 1dvq h GLU 51 N 0.00 0.00 -0.23 4.33 4.39 -1.94 0.63 114.58 121.77 1dvq h GLU 51 Ca -0.04 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.66 1dvq h GLU 51 Cb 0.12 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.77 1dvq h GLU 51 CO 0.03 0.01 0.00 -1.13 -1.16 0.00 0.00 179.01 176.77 1dvq n SER 52 N -3.59 2.16 -0.09 1.42 3.41 -1.26 -4.80 113.62 110.88 1dvq n SER 52 Ca -0.03 -1.80 -0.01 0.00 -0.26 0.00 0.00 58.87 56.77 1dvq n SER 52 Cb 0.10 -0.15 -0.00 0.00 -0.26 0.00 0.00 64.21 63.90 1dvq n SER 52 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1dvq n GLY 53 N 1.23 0.48 3.70 5.00 0.00 0.22 -4.79 105.19 111.02 1dvq n GLY 53 Ca 0.17 -0.25 -0.26 0.00 0.00 0.00 0.00 46.02 45.68 1dvq n GLY 53 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1dvq s GLU 54 N -0.94 2.52 -0.19 1.61 2.02 -1.26 -0.60 118.70 121.86 1dvq s GLU 54 Ca 0.00 -1.10 -0.02 0.00 0.02 0.00 0.00 54.97 53.87 1dvq s GLU 54 Cb 0.00 -2.40 0.06 0.00 0.10 0.00 0.00 34.13 31.88 1dvq s GLU 54 CO 0.00 0.45 0.01 -1.17 0.02 0.00 0.00 175.26 174.57 1dvq s LEU 55 N -3.11 1.36 0.45 1.80 2.96 -0.13 -0.33 118.68 121.67 1dvq s LEU 55 Ca 0.29 -0.79 0.06 0.00 -0.22 0.00 0.00 54.13 53.47 1dvq s LEU 55 Cb -0.09 -0.69 -0.03 0.00 0.50 0.00 0.00 46.19 45.87 1dvq s LEU 55 CO 0.20 -0.27 0.21 -1.00 -1.32 0.00 0.00 176.35 174.17 1dvq s HIS 56 N 1.78 2.37 -1.46 5.38 3.76 -1.26 -2.64 115.29 123.22 1dvq s HIS 56 Ca -0.01 -0.66 0.00 0.00 -0.15 0.00 0.00 55.06 54.24 1dvq s HIS 56 Cb -0.17 -1.93 0.00 0.00 1.11 0.00 0.00 32.58 31.59 1dvq s HIS 56 CO -0.07 0.05 0.00 0.41 -0.85 0.00 0.00 174.74 174.28 1dvq n GLY 57 N -1.35 -0.16 0.28 -2.22 0.00 -1.26 -4.91 105.19 95.57 1dvq n GLY 57 Ca -0.03 -0.19 -0.11 0.00 0.00 0.00 0.00 46.02 45.70 1dvq n GLY 57 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1dvq h LEU 58 N 0.00 0.98 0.00 0.99 3.38 -1.86 -3.47 115.31 115.33 1dvq h LEU 58 Ca -0.39 -0.37 -0.17 0.00 0.09 0.00 0.00 57.88 57.04 1dvq h LEU 58 Cb 1.28 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 41.72 1dvq h LEU 58 CO 0.47 1.15 0.04 1.07 0.09 0.00 0.00 178.44 181.27 1dvq n THR 59 N -4.11 0.00 -4.45 0.22 5.66 -1.26 -4.80 114.28 105.54 1dvq n THR 59 Ca 0.00 -1.43 -0.24 0.00 -3.05 0.00 0.00 64.05 59.32 1dvq n THR 59 Cb 0.45 1.05 -0.10 0.00 -1.55 0.00 0.00 70.33 70.19 1dvq n THR 59 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 1dvq s THR 60 N -2.50 2.56 0.44 1.09 -4.23 -1.26 -4.61 115.64 107.12 1dvq s THR 60 Ca 0.23 -2.24 0.19 0.00 -1.18 0.00 0.00 61.69 58.69 1dvq s THR 60 Cb -0.03 -2.52 0.22 0.00 1.34 0.00 0.00 72.50 71.50 1dvq s THR 60 CO 0.17 -0.32 2.02 1.05 -0.54 0.00 0.00 174.62 177.00 1dvq h GLU 61 N 2.09 0.00 -0.45 3.99 4.11 -2.00 -0.29 114.58 122.03 1dvq h GLU 61 Ca -0.41 0.00 -0.08 0.00 0.07 0.00 0.00 59.36 58.93 1dvq h GLU 61 Cb 1.25 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.49 1dvq h GLU 61 CO 0.64 0.17 -0.04 1.49 0.07 0.00 0.00 179.01 181.33 1dvq h GLU 62 N 0.00 0.83 0.00 1.06 4.57 -2.04 -3.23 114.58 115.77 1dvq h GLU 62 Ca -0.00 -0.28 -0.22 0.00 -1.18 0.00 0.00 59.36 57.67 1dvq h GLU 62 Cb 0.33 -0.06 -0.03 0.00 -0.16 0.00 0.00 28.75 28.82 1dvq h GLU 62 CO 0.02 0.90 -1.13 0.37 -1.18 0.00 0.00 179.01 178.00 1dvq h GLN 63 N 0.67 0.00 -5.07 1.92 4.15 -1.87 -3.41 115.11 111.51 1dvq h GLN 63 Ca 0.12 -0.00 -0.69 0.00 0.77 0.00 0.00 58.65 58.85 1dvq h GLN 63 Cb 0.56 0.00 -0.06 0.00 0.21 0.00 0.00 27.48 28.19 1dvq h GLN 63 CO 0.03 0.91 2.60 0.34 -1.93 0.00 0.00 178.83 180.79 1dvq n PHE 64 N -3.30 4.19 -2.30 3.99 7.35 -0.16 -4.96 117.46 122.27 1dvq n PHE 64 Ca -0.03 -2.90 -0.26 0.00 -0.76 0.00 0.00 57.45 53.50 1dvq n PHE 64 Cb 0.96 -2.60 0.11 0.00 0.35 0.00 0.00 39.48 38.30 1dvq n PHE 64 CO 0.00 0.00 0.00 0.14 -0.76 0.00 0.00 176.76 176.14 1dvq s VAL 65 N 3.78 2.17 0.52 -2.13 -7.23 -1.26 -4.91 120.40 111.34 1dvq s VAL 65 Ca 0.51 -0.34 -0.23 0.00 -1.81 0.00 0.00 61.98 60.11 1dvq s VAL 65 Cb 0.08 -2.83 -0.06 0.00 0.56 0.00 0.00 36.38 34.13 1dvq s VAL 65 CO 0.01 0.00 1.38 -0.62 -0.31 0.00 0.00 175.10 175.56 1dvq n GLU 66 N -3.07 1.86 -3.98 4.82 1.02 -1.26 -4.80 120.64 115.23 1dvq n GLU 66 Ca 0.12 0.68 0.00 0.00 -0.02 0.00 0.00 57.16 57.94 1dvq n GLU 66 Cb 0.60 -2.59 0.00 0.00 -0.02 0.00 0.00 31.44 29.43 1dvq n GLU 66 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1dvq n GLY 67 N 0.71 -2.58 3.56 0.62 0.00 -0.98 -4.99 105.19 101.53 1dvq n GLY 67 Ca 0.09 -1.30 -0.36 0.00 0.00 0.00 0.00 46.02 44.45 1dvq n GLY 67 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1dvq s ILE 68 N -2.23 4.72 0.14 -0.61 1.01 -1.26 -0.20 121.20 122.77 1dvq s ILE 68 Ca 0.00 -0.04 0.10 0.00 0.00 0.00 0.00 60.65 60.70 1dvq s ILE 68 Cb 0.00 -3.18 -0.04 0.00 0.01 0.00 0.00 42.46 39.25 1dvq s ILE 68 CO 0.00 0.38 -0.21 -0.31 0.00 0.00 0.00 174.94 174.81 1dvq s TYR 69 N 1.03 2.45 -0.13 3.97 1.51 0.41 -1.19 117.35 125.40 1dvq s TYR 69 Ca 0.05 -0.30 0.01 0.00 -1.01 0.00 0.00 57.07 55.81 1dvq s TYR 69 Cb -0.14 -1.28 0.02 0.00 -0.11 0.00 0.00 41.96 40.45 1dvq s TYR 69 CO 0.03 0.40 -0.14 0.21 -1.11 0.00 0.00 175.55 174.95 1dvq s LYS 70 N -2.26 2.15 -0.28 -0.62 2.20 0.13 -1.33 119.74 119.74 1dvq s LYS 70 Ca 0.18 -0.51 -0.09 0.00 -0.36 0.00 0.00 55.97 55.18 1dvq s LYS 70 Cb -0.10 -1.94 -0.03 0.00 -1.51 0.00 0.00 37.83 34.25 1dvq s LYS 70 CO 0.09 -0.17 0.13 0.08 -0.36 0.00 0.00 175.35 175.12 1dvq s VAL 71 N 1.32 4.70 -0.20 4.02 1.01 0.74 -0.27 120.40 131.72 1dvq s VAL 71 Ca 0.00 -0.14 -0.05 0.00 0.00 0.00 0.00 61.98 61.80 1dvq s VAL 71 Cb -0.14 -3.27 -0.02 0.00 0.00 0.00 0.00 36.38 32.95 1dvq s VAL 71 CO -0.07 0.23 -0.00 -0.70 0.00 0.00 0.00 175.10 174.56 1dvq s GLU 72 N 1.66 3.60 -0.27 2.72 2.12 0.13 -1.00 118.70 127.66 1dvq s GLU 72 Ca 0.06 -0.53 -0.05 0.00 0.36 0.00 0.00 54.97 54.81 1dvq s GLU 72 Cb -0.16 -3.07 0.01 0.00 0.26 0.00 0.00 34.13 31.17 1dvq s GLU 72 CO 0.07 -0.00 0.02 0.42 -0.54 0.00 0.00 175.26 175.23 1dvq s ILE 73 N 1.03 3.63 -1.08 -3.70 1.01 0.13 -0.68 121.20 121.53 1dvq s ILE 73 Ca 0.02 -0.69 -0.20 0.00 0.00 0.00 0.00 60.65 59.78 1dvq s ILE 73 Cb -0.14 -2.81 -0.07 0.00 0.01 0.00 0.00 42.46 39.45 1dvq s ILE 73 CO 0.01 0.19 1.98 -0.67 0.00 0.00 0.00 174.94 176.45 1dvq n ASP 74 N 4.81 3.26 0.01 3.58 2.03 -0.40 -1.49 116.55 128.35 1dvq n ASP 74 Ca -0.16 -2.75 -0.03 0.00 0.52 0.00 0.00 54.79 52.37 1dvq n ASP 74 Cb 0.49 -1.45 0.22 0.00 -0.72 0.00 0.00 41.12 39.66 1dvq n ASP 74 CO 0.00 0.00 0.00 0.71 -1.92 0.00 0.00 177.20 175.99 1dvq h THR 75 N 4.83 1.25 -0.01 5.18 1.35 -1.87 -3.22 112.91 120.42 1dvq h THR 75 Ca 0.42 -1.13 0.02 0.00 -0.55 0.00 0.00 66.41 65.17 1dvq h THR 75 Cb 0.74 1.22 -0.02 0.00 -1.73 0.00 0.00 68.15 68.36 1dvq h THR 75 CO 1.74 0.37 -0.08 0.50 -0.25 0.00 0.00 175.52 177.79 1dvq h LYS 76 N 0.46 -0.14 -0.89 4.72 3.64 -1.71 -2.05 116.57 120.60 1dvq h LYS 76 Ca 0.08 0.01 0.03 0.00 -1.27 0.00 0.00 60.65 59.50 1dvq h LYS 76 Cb 0.57 0.03 -0.05 0.00 -0.41 0.00 0.00 32.23 32.37 1dvq h LYS 76 CO 0.04 -0.09 0.58 0.77 -2.27 0.00 0.00 179.45 178.47 1dvq h SER 77 N -0.14 0.96 -0.18 4.20 0.02 -1.85 -1.84 113.55 114.72 1dvq h SER 77 Ca 0.04 -0.01 0.03 0.00 -0.84 0.00 0.00 61.79 61.01 1dvq h SER 77 Cb 0.19 -0.22 -0.03 0.00 0.14 0.00 0.00 62.40 62.48 1dvq h SER 77 CO -0.09 0.66 -0.00 0.22 -1.14 0.00 0.00 176.83 176.48 1dvq h TYR 78 N 1.12 -0.01 -0.34 3.45 3.20 -1.46 -1.89 116.97 121.04 1dvq h TYR 78 Ca 0.35 0.01 -0.14 0.00 3.14 0.00 0.00 58.73 62.09 1dvq h TYR 78 Cb -0.01 0.03 -0.01 0.00 1.54 0.00 0.00 36.73 38.29 1dvq h TYR 78 CO -0.02 -0.03 -0.36 -1.49 -1.64 0.00 0.00 178.16 174.63 1dvq h TRP 79 N 0.06 0.92 -0.34 -3.82 4.06 -1.14 -3.05 115.95 112.64 1dvq h TRP 79 Ca 0.08 -0.26 -0.05 0.00 2.06 0.00 0.00 58.89 60.72 1dvq h TRP 79 Cb 0.10 -0.20 -0.02 0.00 -1.00 0.00 0.00 29.16 28.05 1dvq h TRP 79 CO -0.17 1.03 -0.01 0.87 -3.56 0.00 0.00 178.44 176.59 1dvq h LYS 80 N 0.65 0.54 0.00 0.49 1.57 -1.20 -0.63 116.57 117.99 1dvq h LYS 80 Ca 0.06 -0.12 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 1dvq h LYS 80 Cb 0.91 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 33.14 1dvq h LYS 80 CO 0.08 0.58 0.00 0.00 -0.57 0.00 0.00 179.45 179.54 1dvq n ALA 81 N -2.48 1.58 0.20 3.86 0.00 -0.72 -1.41 120.51 121.54 1dvq n ALA 81 Ca 0.01 -0.04 0.06 0.00 0.00 0.00 0.00 53.44 53.47 1dvq n ALA 81 Cb 0.26 -1.20 0.11 0.00 0.00 0.00 0.00 19.45 18.61 1dvq n ALA 81 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1dvq n LEU 82 N -1.50 2.48 -0.14 0.00 4.77 -0.34 -4.98 117.00 117.29 1dvq n LEU 82 Ca 0.03 -1.45 -0.02 0.00 -0.03 0.00 0.00 56.01 54.55 1dvq n LEU 82 Cb 0.15 -0.12 -0.01 0.00 -2.33 0.00 0.00 43.42 41.12 1dvq n LEU 82 CO 0.12 0.55 -0.02 0.61 -1.33 0.00 0.00 177.39 177.32 1dvq n GLY 83 N 0.67 0.46 3.42 -0.72 0.00 -0.50 -5.05 105.19 103.48 1dvq n GLY 83 Ca 0.10 -0.97 -0.32 0.00 0.00 0.00 0.00 46.02 44.83 1dvq n GLY 83 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1dvq s ILE 84 N -2.07 2.71 -0.44 -0.61 1.01 -0.60 -5.01 121.20 116.19 1dvq s ILE 84 Ca 0.00 -0.89 -0.21 0.00 0.00 0.00 0.00 60.65 59.55 1dvq s ILE 84 Cb 0.00 -2.03 0.02 0.00 0.01 0.00 0.00 42.46 40.46 1dvq s ILE 84 CO 0.00 0.57 0.64 -0.94 0.00 0.00 0.00 174.94 175.20 1dvq s SER 85 N -0.75 6.32 0.55 3.58 1.04 -1.26 -3.32 113.70 119.86 1dvq s SER 85 Ca 0.11 -0.34 -0.06 0.00 0.48 0.00 0.00 55.95 56.14 1dvq s SER 85 Cb -0.10 -2.32 -0.01 0.00 0.10 0.00 0.00 66.02 63.69 1dvq s SER 85 CO 0.00 -0.77 0.87 -2.16 0.98 0.00 0.00 173.24 172.17 1dvq s PRO 86 N 2.80 3.22 -0.17 4.02 0.04 -1.26 -4.91 135.00 138.73 1dvq s PRO 86 Ca 0.22 0.15 -0.24 0.00 0.04 0.00 0.00 61.00 61.18 1dvq s PRO 86 Cb -0.14 -2.29 -0.22 0.00 0.04 0.00 0.00 34.50 31.89 1dvq s PRO 86 CO 0.19 -0.51 0.45 0.35 0.04 0.00 0.00 177.00 177.52 1dvq h PHE 87 N -0.05 0.04 -3.96 0.56 3.57 -1.55 -3.48 116.94 112.08 1dvq h PHE 87 Ca -0.46 -0.03 -0.46 0.00 3.53 0.00 0.00 57.97 60.56 1dvq h PHE 87 Cb 1.23 -0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.95 1dvq h PHE 87 CO 0.53 1.32 0.34 -1.01 -2.23 0.00 0.00 178.31 177.26 1dvq s HIS 88 N -2.32 3.51 0.13 0.41 3.76 -1.26 -4.96 115.29 114.56 1dvq s HIS 88 Ca -0.24 1.69 -0.09 0.00 -0.15 0.00 0.00 55.06 56.27 1dvq s HIS 88 Cb 0.02 -2.88 -0.07 0.00 1.11 0.00 0.00 32.58 30.77 1dvq s HIS 88 CO 0.64 0.06 1.37 0.93 -0.85 0.00 0.00 174.74 176.90 1dvq h GLU 89 N 2.58 0.69 -1.75 1.40 4.39 -1.98 -3.36 114.58 116.55 1dvq h GLU 89 Ca -0.48 -0.53 0.27 0.00 0.34 0.00 0.00 59.36 58.96 1dvq h GLU 89 Cb 1.19 0.10 -0.11 0.00 -0.10 0.00 0.00 28.75 29.82 1dvq h GLU 89 CO 0.63 1.15 0.71 -3.38 -1.16 0.00 0.00 179.01 176.96 1dvq s HIS 90 N -3.80 -0.08 -0.14 4.33 -3.43 -1.26 -3.41 115.29 107.50 1dvq s HIS 90 Ca -0.09 -0.08 -0.04 0.00 -0.80 0.00 0.00 55.06 54.04 1dvq s HIS 90 Cb 0.10 0.57 -0.03 0.00 -1.43 0.00 0.00 32.58 31.79 1dvq s HIS 90 CO 0.88 -0.46 0.02 0.00 -2.00 0.00 0.00 174.74 173.18 1dvq s ALA 91 N -2.72 3.28 -0.03 -1.38 0.00 -0.55 -4.91 121.76 115.45 1dvq s ALA 91 Ca 0.13 -0.78 0.07 0.00 0.00 0.00 0.00 51.96 51.38 1dvq s ALA 91 Cb 0.02 -1.66 -0.02 0.00 0.00 0.00 0.00 23.12 21.46 1dvq s ALA 91 CO -0.02 0.37 -0.25 -1.21 0.00 0.00 0.00 175.76 174.65 1dvq s GLU 92 N -0.19 2.12 -0.16 0.00 2.02 -1.26 -0.70 118.70 120.53 1dvq s GLU 92 Ca 0.06 -0.89 -0.00 0.00 0.02 0.00 0.00 54.97 54.15 1dvq s GLU 92 Cb -0.12 -1.99 0.04 0.00 0.10 0.00 0.00 34.13 32.16 1dvq s GLU 92 CO 0.02 0.50 -0.06 0.08 0.02 0.00 0.00 175.26 175.83 1dvq s VAL 93 N -0.50 1.10 -0.15 2.63 1.01 -0.17 -4.98 120.40 119.34 1dvq s VAL 93 Ca 0.07 -0.58 0.01 0.00 0.00 0.00 0.00 61.98 61.48 1dvq s VAL 93 Cb -0.10 -1.25 0.00 0.00 0.00 0.00 0.00 36.38 35.02 1dvq s VAL 93 CO -0.00 0.17 -0.17 -0.69 0.00 0.00 0.00 175.10 174.41 1dvq s VAL 94 N 1.64 2.52 0.11 2.92 1.01 -1.26 -0.19 120.40 127.15 1dvq s VAL 94 Ca 0.01 -0.82 -0.15 0.00 0.00 0.00 0.00 61.98 61.02 1dvq s VAL 94 Cb -0.15 -2.05 0.03 0.00 0.00 0.00 0.00 36.38 34.21 1dvq s VAL 94 CO -0.08 0.52 0.36 0.72 0.00 0.00 0.00 175.10 176.63 1dvq s PHE 95 N 0.80 -0.14 0.02 5.22 -0.71 -0.44 -5.00 117.98 117.72 1dvq s PHE 95 Ca -0.06 -0.16 -0.20 0.00 -1.04 0.00 0.00 56.93 55.47 1dvq s PHE 95 Cb -0.15 0.19 -0.06 0.00 -1.21 0.00 0.00 43.02 41.79 1dvq s PHE 95 CO -0.00 -0.65 0.57 0.99 -1.34 0.00 0.00 175.22 174.79 1dvq s THR 96 N -3.63 4.87 0.09 -4.49 2.01 -1.26 -0.44 115.64 112.79 1dvq s THR 96 Ca 0.02 1.20 0.08 0.00 0.31 0.00 0.00 61.69 63.30 1dvq s THR 96 Cb 0.02 -3.90 -0.03 0.00 0.01 0.00 0.00 72.50 68.59 1dvq s THR 96 CO -0.11 0.47 -0.20 0.00 -0.69 0.00 0.00 174.62 174.10 1dvq s ALA 97 N -0.51 1.69 -1.68 7.40 0.00 0.72 -4.78 121.76 124.61 1dvq s ALA 97 Ca 0.30 -1.19 0.00 0.00 0.00 0.00 0.00 51.96 51.07 1dvq s ALA 97 Cb -0.18 -0.23 0.00 0.00 0.00 0.00 0.00 23.12 22.71 1dvq s ALA 97 CO 0.17 0.33 0.00 0.09 0.00 0.00 0.00 175.76 176.35 1dvq n ASN 98 N 1.18 -4.31 0.21 0.00 3.02 -1.26 -2.32 115.26 111.78 1dvq n ASN 98 Ca -0.20 0.37 0.18 0.00 -0.03 0.00 0.00 54.58 54.90 1dvq n ASN 98 Cb 0.54 -3.89 0.84 0.00 -0.61 0.00 0.00 39.78 36.66 1dvq n ASN 98 CO 0.00 0.00 0.00 -2.24 -2.62 0.00 0.00 177.26 172.40 1dvq h ASP 99 N 0.00 0.00 -1.12 6.41 2.03 -1.91 -2.47 116.42 119.36 1dvq h ASP 99 Ca -0.34 0.00 -0.43 0.00 -0.73 0.00 0.00 57.03 55.53 1dvq h ASP 99 Cb 1.08 0.00 -0.41 0.00 -0.83 0.00 0.00 39.33 39.17 1dvq h ASP 99 CO 0.48 0.00 -1.03 -1.54 -1.03 0.00 0.00 179.24 176.13 1dvq n SER 100 N -3.62 2.66 0.00 4.15 3.41 -1.26 -5.09 113.62 113.87 1dvq n SER 100 Ca 0.02 -3.03 0.00 0.00 -0.26 0.00 0.00 58.87 55.59 1dvq n SER 100 Cb 0.36 -0.50 0.00 0.00 -0.26 0.00 0.00 64.21 63.82 1dvq n SER 100 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1dvq n GLY 101 N -0.26 2.12 3.76 5.00 0.00 -0.93 -5.00 105.19 109.88 1dvq n GLY 101 Ca 0.20 -1.92 -0.41 0.00 0.00 0.00 0.00 46.02 43.89 1dvq n GLY 101 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1dvq s PRO 102 N -2.84 4.20 0.12 1.61 0.04 -1.26 -4.31 135.00 132.56 1dvq s PRO 102 Ca 0.00 2.44 0.01 0.00 0.04 0.00 0.00 61.00 63.49 1dvq s PRO 102 Cb 0.00 -3.04 -0.04 0.00 0.04 0.00 0.00 34.50 31.46 1dvq s PRO 102 CO 0.00 -0.48 -0.02 1.03 0.04 0.00 0.00 177.00 177.58 1dvq s ARG 103 N -1.07 0.90 -0.18 4.56 1.81 -1.26 -4.90 118.95 118.81 1dvq s ARG 103 Ca 0.57 -1.40 -0.07 0.00 -1.72 0.00 0.00 55.73 53.11 1dvq s ARG 103 Cb -0.44 -0.08 -0.04 0.00 -0.45 0.00 0.00 34.95 33.94 1dvq s ARG 103 CO 0.51 -0.11 0.06 1.03 -0.68 0.00 0.00 175.30 176.11 1dvq s ARG 104 N -3.91 3.98 -0.14 3.54 1.81 0.15 -4.85 118.95 119.53 1dvq s ARG 104 Ca 0.17 -0.34 0.01 0.00 -1.72 0.00 0.00 55.73 53.85 1dvq s ARG 104 Cb 0.06 -3.22 -0.00 0.00 -0.45 0.00 0.00 34.95 31.34 1dvq s ARG 104 CO -0.02 0.27 -0.17 0.71 -0.68 0.00 0.00 175.30 175.42 1dvq s TYR 105 N 0.37 2.74 -0.23 -0.53 1.51 0.15 -1.43 117.35 119.93 1dvq s TYR 105 Ca 0.03 -0.95 -0.02 0.00 -1.01 0.00 0.00 57.07 55.12 1dvq s TYR 105 Cb -0.12 -1.84 0.02 0.00 -0.11 0.00 0.00 41.96 39.90 1dvq s TYR 105 CO 0.00 -0.40 -0.08 0.99 -1.11 0.00 0.00 175.55 174.95 1dvq s THR 106 N 0.61 2.88 -0.32 -0.71 2.01 -0.38 -0.59 115.64 119.14 1dvq s THR 106 Ca -0.09 -0.86 -0.11 0.00 0.31 0.00 0.00 61.69 60.94 1dvq s THR 106 Cb -0.16 -2.38 -0.01 0.00 0.01 0.00 0.00 72.50 69.95 1dvq s THR 106 CO 0.03 0.32 0.18 -0.63 -0.69 0.00 0.00 174.62 173.83 1dvq s ILE 107 N 1.36 4.87 -0.05 1.82 -1.09 0.74 -1.37 121.20 127.49 1dvq s ILE 107 Ca 0.03 -0.32 -0.00 0.00 -2.23 0.00 0.00 60.65 58.12 1dvq s ILE 107 Cb -0.15 -3.48 -0.03 0.00 -1.58 0.00 0.00 42.46 37.21 1dvq s ILE 107 CO -0.06 0.05 -0.01 0.00 -1.23 0.00 0.00 174.94 173.69 1dvq s ALA 108 N 1.66 3.22 -0.01 9.38 0.00 0.10 -0.77 121.76 135.33 1dvq s ALA 108 Ca 0.05 -0.88 0.02 0.00 0.00 0.00 0.00 51.96 51.16 1dvq s ALA 108 Cb -0.17 -1.37 0.00 0.00 0.00 0.00 0.00 23.12 21.57 1dvq s ALA 108 CO 0.08 0.61 -0.07 0.00 0.00 0.00 0.00 175.76 176.37 1dvq s ALA 109 N -0.94 0.66 -0.20 0.00 0.00 0.20 -0.60 121.76 120.88 1dvq s ALA 109 Ca 0.15 -0.27 -0.01 0.00 0.00 0.00 0.00 51.96 51.83 1dvq s ALA 109 Cb -0.11 -0.22 0.01 0.00 0.00 0.00 0.00 23.12 22.80 1dvq s ALA 109 CO 0.05 0.12 -0.13 -1.17 0.00 0.00 0.00 175.76 174.63 1dvq s LEU 110 N 0.06 2.55 -0.11 0.00 2.96 0.30 -1.04 118.68 123.40 1dvq s LEU 110 Ca -0.01 -0.64 -0.03 0.00 -0.22 0.00 0.00 54.13 53.24 1dvq s LEU 110 Cb -0.06 -1.58 -0.03 0.00 0.50 0.00 0.00 46.19 45.02 1dvq s LEU 110 CO -0.00 -0.03 0.00 -0.76 -1.32 0.00 0.00 176.35 174.24 1dvq s LEU 111 N 1.34 3.54 0.08 -0.68 1.43 -0.07 -1.81 118.68 122.52 1dvq s LEU 111 Ca 0.04 0.08 0.01 0.00 -1.03 0.00 0.00 54.13 53.23 1dvq s LEU 111 Cb -0.14 -1.83 -0.04 0.00 0.03 0.00 0.00 46.19 44.21 1dvq s LEU 111 CO -0.09 0.31 -0.06 -0.44 0.23 0.00 0.00 176.35 176.30 1dvq s SER 112 N -0.46 0.98 0.24 2.29 0.01 0.26 -1.03 113.70 115.99 1dvq s SER 112 Ca 0.08 -0.91 -0.05 0.00 1.31 0.00 0.00 55.95 56.38 1dvq s SER 112 Cb -0.12 0.10 0.42 0.00 0.21 0.00 0.00 66.02 66.63 1dvq s SER 112 CO 0.02 -0.43 1.75 -0.65 0.41 0.00 0.00 173.24 174.34 1dvq h PRO 113 N 3.30 0.52 -0.22 12.44 0.11 -1.99 -2.91 132.00 143.25 1dvq h PRO 113 Ca -0.35 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.73 1dvq h PRO 113 Cb 1.17 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.16 1dvq h PRO 113 CO 0.60 0.34 0.00 0.66 -0.21 0.00 0.00 178.00 179.39 1dvq n TYR 114 N -4.93 0.76 -3.50 0.65 4.02 -1.26 -1.29 117.16 111.62 1dvq n TYR 114 Ca 0.13 -0.88 -0.13 0.00 -0.01 0.00 0.00 57.90 57.02 1dvq n TYR 114 Cb 0.36 -0.27 -0.04 0.00 -0.02 0.00 0.00 39.34 39.37 1dvq n TYR 114 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 1dvq s SER 115 N -2.05 -0.51 0.03 7.72 0.15 -1.10 -4.98 113.70 112.97 1dvq s SER 115 Ca 0.39 0.29 -0.26 0.00 0.70 0.00 0.00 55.95 57.07 1dvq s SER 115 Cb 0.32 0.48 0.06 0.00 -1.71 0.00 0.00 66.02 65.17 1dvq s SER 115 CO 0.08 -0.66 0.61 -0.72 1.20 0.00 0.00 173.24 173.75 1dvq s TYR 116 N -2.35 -0.56 0.04 3.44 -0.85 -1.26 -0.57 117.35 115.23 1dvq s TYR 116 Ca -0.02 0.74 0.04 0.00 -0.52 0.00 0.00 57.07 57.31 1dvq s TYR 116 Cb -0.01 0.42 -0.02 0.00 0.38 0.00 0.00 41.96 42.74 1dvq s TYR 116 CO -0.03 -0.67 -0.12 -1.54 -1.52 0.00 0.00 175.55 171.67 1dvq s SER 117 N -1.78 1.41 -0.01 -0.18 1.04 -0.75 -4.98 113.70 108.46 1dvq s SER 117 Ca -0.07 -0.45 0.03 0.00 0.48 0.00 0.00 55.95 55.94 1dvq s SER 117 Cb -0.01 -0.07 -0.01 0.00 0.10 0.00 0.00 66.02 66.04 1dvq s SER 117 CO 0.01 -0.02 -0.09 0.28 0.98 0.00 0.00 173.24 174.41 1dvq s THR 118 N -0.92 0.69 0.06 2.02 -1.32 -1.26 -0.54 115.64 114.37 1dvq s THR 118 Ca -0.01 -0.39 0.04 0.00 -1.21 0.00 0.00 61.69 60.12 1dvq s THR 118 Cb -0.08 -0.58 -0.03 0.00 -1.51 0.00 0.00 72.50 70.30 1dvq s THR 118 CO 0.01 0.18 -0.11 -0.89 -2.21 0.00 0.00 174.62 171.60 1dvq s THR 119 N -0.23 0.85 -0.08 5.08 2.01 0.23 -4.98 115.64 118.52 1dvq s THR 119 Ca 0.03 -1.17 0.05 0.00 0.31 0.00 0.00 61.69 60.91 1dvq s THR 119 Cb -0.04 -0.86 -0.01 0.00 0.01 0.00 0.00 72.50 71.61 1dvq s THR 119 CO -0.00 -0.27 -0.24 0.00 -0.69 0.00 0.00 174.62 173.41 1dvq s ALA 120 N -1.27 2.19 -0.21 7.40 0.00 -1.26 -0.72 121.76 127.88 1dvq s ALA 120 Ca -0.05 -1.00 -0.02 0.00 0.00 0.00 0.00 51.96 50.88 1dvq s ALA 120 Cb -0.10 -0.76 -0.00 0.00 0.00 0.00 0.00 23.12 22.26 1dvq s ALA 120 CO 0.01 0.35 -0.09 0.08 0.00 0.00 0.00 175.76 176.11 1dvq s VAL 121 N 0.11 3.00 -0.18 0.00 1.01 -0.47 -4.99 120.40 118.89 1dvq s VAL 121 Ca -0.12 -0.62 -0.01 0.00 0.00 0.00 0.00 61.98 61.24 1dvq s VAL 121 Cb -0.16 -2.34 0.00 0.00 0.00 0.00 0.00 36.38 33.88 1dvq s VAL 121 CO 0.06 0.46 -0.13 -0.69 0.00 0.00 0.00 175.10 174.80 1dvq s VAL 122 N 1.41 2.72 0.25 2.92 1.01 -1.26 -1.25 120.40 126.19 1dvq s VAL 122 Ca 0.05 -0.73 0.03 0.00 0.00 0.00 0.00 61.98 61.33 1dvq s VAL 122 Cb -0.14 -2.18 -0.05 0.00 0.00 0.00 0.00 36.38 34.01 1dvq s VAL 122 CO -0.06 0.50 0.03 0.42 0.00 0.00 0.00 175.10 175.98 1dvq s THR 123 N 1.12 0.94 -2.58 3.92 -4.23 -0.52 -4.96 115.64 109.33 1dvq s THR 123 Ca 0.00 -2.02 0.27 0.00 -1.18 0.00 0.00 61.69 58.77 1dvq s THR 123 Cb -0.14 -2.46 0.49 0.00 1.34 0.00 0.00 72.50 71.73 1dvq s THR 123 CO -0.04 -0.21 1.67 0.59 -0.54 0.00 0.00 174.62 176.08