#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dvt n PRO 11 N 0.00 0.25 -3.77 0.00 -0.04 -1.26 -4.69 135.00 125.48 1dvt n PRO 11 Ca 0.00 0.25 -0.24 0.00 -0.04 0.00 0.00 63.50 63.48 1dvt n PRO 11 Cb 0.00 -1.82 -0.17 0.00 -0.04 0.00 0.00 33.50 31.47 1dvt n PRO 11 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1dvt s LEU 12 N -4.54 0.66 0.01 1.53 2.96 -1.26 0.54 118.68 118.59 1dvt s LEU 12 Ca 0.10 -0.16 0.04 0.00 -0.22 0.00 0.00 54.13 53.89 1dvt s LEU 12 Cb 0.12 -0.47 -0.01 0.00 0.50 0.00 0.00 46.19 46.32 1dvt s LEU 12 CO 0.56 -0.20 -0.12 -0.32 -1.32 0.00 0.00 176.35 174.95 1dvt s MET 13 N 1.95 0.89 -0.05 1.98 1.75 0.50 -4.40 119.30 121.92 1dvt s MET 13 Ca 0.05 -0.56 0.04 0.00 -1.25 0.00 0.00 55.69 53.96 1dvt s MET 13 Cb -0.13 -0.87 0.00 0.00 2.84 0.00 0.00 34.83 36.68 1dvt s MET 13 CO -0.06 0.23 -0.16 0.08 -0.65 0.00 0.00 175.02 174.46 1dvt s VAL 14 N -0.56 1.40 -0.06 10.11 1.01 -1.05 -0.09 120.40 131.16 1dvt s VAL 14 Ca 0.02 -0.67 0.02 0.00 0.00 0.00 0.00 61.98 61.35 1dvt s VAL 14 Cb -0.06 -1.22 0.01 0.00 0.00 0.00 0.00 36.38 35.11 1dvt s VAL 14 CO 0.00 0.41 -0.11 -0.75 0.00 0.00 0.00 175.10 174.65 1dvt s LYS 15 N 0.24 1.52 -0.09 2.72 2.20 0.28 -0.68 119.74 125.93 1dvt s LYS 15 Ca -0.08 -0.37 0.02 0.00 -0.36 0.00 0.00 55.97 55.18 1dvt s LYS 15 Cb -0.13 -1.29 0.01 0.00 -1.51 0.00 0.00 37.83 34.91 1dvt s LYS 15 CO 0.03 0.04 -0.16 0.08 -0.36 0.00 0.00 175.35 174.98 1dvt s VAL 16 N 0.61 1.48 0.16 4.02 1.01 0.47 -0.71 120.40 127.44 1dvt s VAL 16 Ca -0.12 -0.66 0.10 0.00 0.00 0.00 0.00 61.98 61.29 1dvt s VAL 16 Cb -0.15 -1.33 -0.04 0.00 0.00 0.00 0.00 36.38 34.86 1dvt s VAL 16 CO 0.03 0.43 -0.18 -0.76 0.00 0.00 0.00 175.10 174.62 1dvt s LEU 17 N 0.70 2.67 -0.33 3.92 1.43 -0.02 -0.31 118.68 126.74 1dvt s LEU 17 Ca -0.13 -0.68 -0.10 0.00 -1.03 0.00 0.00 54.13 52.19 1dvt s LEU 17 Cb -0.16 -1.43 0.00 0.00 0.03 0.00 0.00 46.19 44.63 1dvt s LEU 17 CO 0.03 0.14 0.17 -0.62 0.23 0.00 0.00 176.35 176.30 1dvt s ASP 18 N -2.51 5.62 0.10 2.29 -1.08 0.16 -0.65 116.67 120.60 1dvt s ASP 18 Ca 0.21 -0.65 0.27 0.00 -0.52 0.00 0.00 52.55 51.86 1dvt s ASP 18 Cb -0.09 -2.01 1.04 0.00 -1.46 0.00 0.00 42.92 40.39 1dvt s ASP 18 CO 0.11 -0.25 1.85 0.00 0.52 0.00 0.00 175.17 177.40 1dvt n ALA 19 N 4.99 2.29 0.04 3.66 0.00 0.04 -1.65 120.51 129.88 1dvt n ALA 19 Ca -0.13 -0.06 -0.19 0.00 0.00 0.00 0.00 53.44 53.05 1dvt n ALA 19 Cb 0.48 -1.47 -0.14 0.00 0.00 0.00 0.00 19.45 18.32 1dvt n ALA 19 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1dvt h VAL 20 N 0.00 0.87 -0.01 0.00 2.07 -1.94 -3.38 116.25 113.86 1dvt h VAL 20 Ca 0.00 -2.54 0.00 0.00 0.82 0.00 0.00 66.70 64.98 1dvt h VAL 20 Cb 0.60 2.63 0.00 0.00 -1.52 0.00 0.00 31.29 33.00 1dvt h VAL 20 CO 0.00 0.82 -0.39 0.54 0.02 0.00 0.00 177.57 178.56 1dvt n ARG 21 N -3.45 1.67 -3.22 1.57 1.74 -1.24 -4.99 116.66 108.73 1dvt n ARG 21 Ca -0.24 -0.72 -0.16 0.00 -0.77 0.00 0.00 57.85 55.96 1dvt n ARG 21 Cb 1.06 -1.28 0.07 0.00 -1.02 0.00 0.00 32.46 31.28 1dvt n ARG 21 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1dvt n GLY 22 N 1.19 -0.21 3.52 -0.13 0.00 -0.66 -5.01 105.19 103.89 1dvt n GLY 22 Ca 0.06 0.01 -0.10 0.00 0.00 0.00 0.00 46.02 46.00 1dvt n GLY 22 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1dvt s SER 23 N -3.77 -0.02 0.62 1.61 1.04 -1.09 -5.01 113.70 107.08 1dvt s SER 23 Ca 0.17 -1.02 -0.17 0.00 0.48 0.00 0.00 55.95 55.41 1dvt s SER 23 Cb -0.08 0.55 -0.02 0.00 0.10 0.00 0.00 66.02 66.58 1dvt s SER 23 CO 0.58 -1.10 1.14 -2.84 0.98 0.00 0.00 173.24 172.00 1dvt s PRO 24 N -4.01 2.93 -0.50 4.02 0.02 -1.26 0.38 135.00 136.59 1dvt s PRO 24 Ca 0.25 1.55 -0.20 0.00 0.02 0.00 0.00 61.00 62.62 1dvt s PRO 24 Cb 0.01 -1.95 0.05 0.00 0.02 0.00 0.00 34.50 32.62 1dvt s PRO 24 CO 0.10 -1.17 0.68 0.00 -0.33 0.00 0.00 177.00 176.27 1dvt s ALA 25 N -2.03 3.34 0.16 -1.55 0.00 0.58 -4.52 121.76 117.73 1dvt s ALA 25 Ca 0.71 -1.55 -0.11 0.00 0.00 0.00 0.00 51.96 51.01 1dvt s ALA 25 Cb -0.24 -3.40 -0.07 0.00 0.00 0.00 0.00 23.12 19.42 1dvt s ALA 25 CO 0.36 -2.02 0.50 0.42 0.00 0.00 0.00 175.76 175.03 1dvt s ILE 26 N 2.88 4.96 -1.64 0.00 1.01 -1.26 -4.33 121.20 122.81 1dvt s ILE 26 Ca 0.19 0.57 -0.02 0.00 0.00 0.00 0.00 60.65 61.39 1dvt s ILE 26 Cb -0.17 -3.67 0.00 0.00 0.01 0.00 0.00 42.46 38.63 1dvt s ILE 26 CO 0.15 0.14 0.27 0.59 0.00 0.00 0.00 174.94 176.09 1dvt n ASN 27 N 0.48 -5.91 -4.70 3.58 3.02 -0.65 -4.93 115.26 106.14 1dvt n ASN 27 Ca -0.04 -0.14 -0.40 0.00 -0.03 0.00 0.00 54.58 53.97 1dvt n ASN 27 Cb 0.52 -4.83 -0.05 0.00 -0.61 0.00 0.00 39.78 34.81 1dvt n ASN 27 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1dvt s VAL 28 N -3.09 5.03 0.15 2.41 1.01 -1.26 -4.74 120.40 119.92 1dvt s VAL 28 Ca 0.14 1.36 -0.30 0.00 0.00 0.00 0.00 61.98 63.17 1dvt s VAL 28 Cb -0.06 -4.01 -0.07 0.00 0.00 0.00 0.00 36.38 32.24 1dvt s VAL 28 CO 0.17 0.19 1.13 0.00 0.00 0.00 0.00 175.10 176.58 1dvt s ALA 29 N 1.26 3.38 -0.06 5.51 0.00 -1.26 -1.19 121.76 129.39 1dvt s ALA 29 Ca 0.34 0.83 0.02 0.00 0.00 0.00 0.00 51.96 53.15 1dvt s ALA 29 Cb -0.17 -3.38 0.01 0.00 0.00 0.00 0.00 23.12 19.59 1dvt s ALA 29 CO 0.14 -0.27 -0.12 0.08 0.00 0.00 0.00 175.76 175.60 1dvt s VAL 30 N 0.04 1.08 -0.07 0.00 1.01 0.10 -0.73 120.40 121.84 1dvt s VAL 30 Ca 0.51 -0.45 0.05 0.00 0.00 0.00 0.00 61.98 62.09 1dvt s VAL 30 Cb -0.30 -1.00 -0.00 0.00 0.00 0.00 0.00 36.38 35.08 1dvt s VAL 30 CO 0.34 0.34 -0.22 -1.00 0.00 0.00 0.00 175.10 174.56 1dvt s HIS 31 N 0.69 2.24 -0.06 5.22 3.76 0.01 -0.92 115.29 126.23 1dvt s HIS 31 Ca -0.14 -0.77 0.04 0.00 -0.15 0.00 0.00 55.06 54.04 1dvt s HIS 31 Cb -0.16 -1.50 -0.02 0.00 1.11 0.00 0.00 32.58 32.01 1dvt s HIS 31 CO 0.03 -0.28 -0.17 0.08 -0.85 0.00 0.00 174.74 173.55 1dvt s VAL 32 N 0.11 2.80 0.13 -0.90 1.01 0.23 -0.09 120.40 123.70 1dvt s VAL 32 Ca -0.10 -0.81 0.06 0.00 0.00 0.00 0.00 61.98 61.13 1dvt s VAL 32 Cb -0.15 -2.08 -0.04 0.00 0.00 0.00 0.00 36.38 34.11 1dvt s VAL 32 CO 0.05 0.58 -0.13 -0.36 0.00 0.00 0.00 175.10 175.24 1dvt s PHE 33 N -0.52 1.36 -0.05 5.22 0.40 0.38 -0.08 117.98 124.69 1dvt s PHE 33 Ca 0.07 -0.59 0.06 0.00 -0.60 0.00 0.00 56.93 55.86 1dvt s PHE 33 Cb -0.11 -0.71 -0.01 0.00 0.51 0.00 0.00 43.02 42.70 1dvt s PHE 33 CO 0.01 0.13 -0.22 0.50 0.70 0.00 0.00 175.22 176.34 1dvt s ARG 34 N -2.87 2.17 -0.06 0.44 3.52 -0.30 -0.69 118.95 121.15 1dvt s ARG 34 Ca 0.10 -0.79 -0.30 0.00 -0.13 0.00 0.00 55.73 54.61 1dvt s ARG 34 Cb -0.03 -1.89 -0.04 0.00 -1.56 0.00 0.00 34.95 31.42 1dvt s ARG 34 CO 0.03 0.36 1.38 0.21 -0.81 0.00 0.00 175.30 176.46 1dvt s LYS 35 N -0.17 4.26 0.76 5.12 2.20 0.14 -1.51 119.74 130.54 1dvt s LYS 35 Ca -0.01 1.89 -0.09 0.00 -0.36 0.00 0.00 55.97 57.40 1dvt s LYS 35 Cb -0.12 -3.69 0.08 0.00 -1.51 0.00 0.00 37.83 32.59 1dvt s LYS 35 CO 0.02 -0.64 1.08 0.00 -0.36 0.00 0.00 175.35 175.46 1dvt s ALA 36 N 2.95 2.97 0.35 3.13 0.00 0.22 -4.72 121.76 126.67 1dvt s ALA 36 Ca 0.62 -0.93 0.10 0.00 0.00 0.00 0.00 51.96 51.75 1dvt s ALA 36 Cb -0.28 -2.67 0.85 0.00 0.00 0.00 0.00 23.12 21.02 1dvt s ALA 36 CO 0.23 -1.52 1.84 0.00 0.00 0.00 0.00 175.76 176.31 1dvt h ALA 37 N -0.81 1.87 -0.27 0.00 0.00 -1.94 -0.17 119.26 117.94 1dvt h ALA 37 Ca -0.44 0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.42 1dvt h ALA 37 Cb 1.31 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 18.96 1dvt h ALA 37 CO 0.58 -0.17 0.10 -0.40 0.00 0.00 0.00 179.25 179.36 1dvt n ASP 38 N -4.61 2.93 -2.36 0.00 5.75 -1.26 -4.85 116.55 112.16 1dvt n ASP 38 Ca 0.20 -2.43 -0.21 0.00 -0.01 0.00 0.00 54.79 52.34 1dvt n ASP 38 Cb 0.56 -0.59 -0.01 0.00 -1.03 0.00 0.00 41.12 40.04 1dvt n ASP 38 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 1dvt n ASP 39 N 0.10 -5.93 -4.67 -1.12 8.00 -0.08 -4.99 116.55 107.86 1dvt n ASP 39 Ca 0.15 0.01 -0.30 0.00 0.71 0.00 0.00 54.79 55.36 1dvt n ASP 39 Cb 0.73 -4.95 -0.08 0.00 -0.02 0.00 0.00 41.12 36.79 1dvt n ASP 39 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1dvt s THR 40 N -3.03 3.91 -0.47 -3.53 2.01 -1.25 -4.85 115.64 108.42 1dvt s THR 40 Ca 0.00 -1.06 -0.22 0.00 0.31 0.00 0.00 61.69 60.72 1dvt s THR 40 Cb 0.00 -2.87 0.03 0.00 0.01 0.00 0.00 72.50 69.68 1dvt s THR 40 CO 0.00 0.10 0.77 0.26 -0.69 0.00 0.00 174.62 175.06 1dvt s TRP 41 N -1.33 2.97 -0.12 4.92 0.52 -1.26 0.73 118.94 125.38 1dvt s TRP 41 Ca 0.25 0.00 -0.07 0.00 0.02 0.00 0.00 56.10 56.30 1dvt s TRP 41 Cb -0.11 -3.67 -0.04 0.00 -1.15 0.00 0.00 33.47 28.49 1dvt s TRP 41 CO 0.18 -1.04 0.15 -1.83 0.02 0.00 0.00 176.95 174.43 1dvt s GLU 42 N 3.25 3.49 0.24 4.98 -1.05 -0.57 -4.88 118.70 124.16 1dvt s GLU 42 Ca 0.27 -0.11 -0.31 0.00 -0.15 0.00 0.00 54.97 54.67 1dvt s GLU 42 Cb -0.13 -3.20 -0.14 0.00 -0.44 0.00 0.00 34.13 30.22 1dvt s GLU 42 CO 0.20 0.76 1.31 -2.30 0.95 0.00 0.00 175.26 176.18 1dvt n PRO 43 N 2.03 1.79 -0.01 -4.83 -0.02 -1.26 -1.15 135.00 131.54 1dvt n PRO 43 Ca -0.20 0.63 -0.02 0.00 -2.02 0.00 0.00 63.50 61.89 1dvt n PRO 43 Cb 0.55 -2.22 -0.01 0.00 -0.02 0.00 0.00 33.50 31.79 1dvt n PRO 43 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 1dvt n PHE 44 N 1.55 0.00 -3.55 6.00 7.35 0.88 -4.75 117.46 124.93 1dvt n PHE 44 Ca 0.12 0.00 -0.07 0.00 -0.76 0.00 0.00 57.45 56.73 1dvt n PHE 44 Cb 0.30 -0.09 -0.02 0.00 0.35 0.00 0.00 39.48 40.02 1dvt n PHE 44 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1dvt s ALA 45 N -2.05 -1.79 0.18 3.13 0.00 -0.90 -5.00 121.76 115.33 1dvt s ALA 45 Ca -0.04 0.84 -0.19 0.00 0.00 0.00 0.00 51.96 52.57 1dvt s ALA 45 Cb 0.01 0.46 0.04 0.00 0.00 0.00 0.00 23.12 23.64 1dvt s ALA 45 CO 0.05 -0.76 0.54 -1.54 0.00 0.00 0.00 175.76 174.05 1dvt s SER 46 N -2.57 -0.35 -0.05 0.00 1.04 -1.26 0.77 113.70 111.28 1dvt s SER 46 Ca 0.06 -0.31 -0.17 0.00 0.48 0.00 0.00 55.95 56.02 1dvt s SER 46 Cb -0.01 0.57 0.05 0.00 0.10 0.00 0.00 66.02 66.74 1dvt s SER 46 CO -0.07 -1.01 0.75 0.61 0.98 0.00 0.00 173.24 174.50 1dvt n GLY 47 N -0.34 0.23 3.17 7.32 0.00 -0.10 -5.00 105.19 110.47 1dvt n GLY 47 Ca -0.13 -0.92 -0.23 0.00 0.00 0.00 0.00 46.02 44.75 1dvt n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1dvt s LYS 48 N -2.00 1.17 0.53 1.61 1.02 -1.26 0.01 119.74 120.82 1dvt s LYS 48 Ca 0.18 -0.76 -0.21 0.00 0.02 0.00 0.00 55.97 55.20 1dvt s LYS 48 Cb -0.00 -1.20 -0.05 0.00 -0.52 0.00 0.00 37.83 36.06 1dvt s LYS 48 CO -0.02 0.31 1.23 0.95 -0.92 0.00 0.00 175.35 176.91 1dvt s THR 49 N -0.69 2.67 0.20 2.17 -4.23 -0.33 -4.78 115.64 110.64 1dvt s THR 49 Ca 0.05 0.47 -0.03 0.00 -1.18 0.00 0.00 61.69 61.00 1dvt s THR 49 Cb -0.08 -3.22 0.04 0.00 1.34 0.00 0.00 72.50 70.58 1dvt s THR 49 CO 0.01 -0.03 0.27 -1.54 -0.54 0.00 0.00 174.62 172.78 1dvt n SER 50 N -0.99 0.11 0.31 3.99 3.41 0.55 -1.64 113.62 119.35 1dvt n SER 50 Ca 0.10 -1.15 0.17 0.00 -0.26 0.00 0.00 58.87 57.73 1dvt n SER 50 Cb 0.48 -0.20 0.98 0.00 -0.26 0.00 0.00 64.21 65.21 1dvt n SER 50 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 1dvt h GLU 51 N 0.00 0.00 -0.36 4.33 4.39 -1.94 0.01 114.58 121.01 1dvt h GLU 51 Ca -0.09 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.61 1dvt h GLU 51 Cb 0.26 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.91 1dvt h GLU 51 CO 0.07 0.00 0.00 -1.13 -1.16 0.00 0.00 179.01 176.79 1dvt n SER 52 N -3.67 2.65 0.00 1.42 3.41 -1.26 -4.79 113.62 111.38 1dvt n SER 52 Ca -0.03 -1.90 0.00 0.00 -0.26 0.00 0.00 58.87 56.68 1dvt n SER 52 Cb 0.08 -0.23 0.00 0.00 -0.26 0.00 0.00 64.21 63.80 1dvt n SER 52 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1dvt n GLY 53 N 1.33 0.45 3.77 5.00 0.00 -0.01 -4.80 105.19 110.93 1dvt n GLY 53 Ca 0.18 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.95 1dvt n GLY 53 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1dvt s GLU 54 N -0.24 2.78 -0.17 1.61 2.02 -1.26 -0.40 118.70 123.05 1dvt s GLU 54 Ca 0.00 -1.00 -0.03 0.00 0.02 0.00 0.00 54.97 53.97 1dvt s GLU 54 Cb 0.00 -2.54 0.05 0.00 0.10 0.00 0.00 34.13 31.74 1dvt s GLU 54 CO 0.00 0.45 0.03 -1.17 0.02 0.00 0.00 175.26 174.59 1dvt s LEU 55 N -3.32 1.08 0.47 1.80 2.96 0.14 -0.33 118.68 121.48 1dvt s LEU 55 Ca 0.31 -0.68 0.05 0.00 -0.22 0.00 0.00 54.13 53.59 1dvt s LEU 55 Cb -0.09 -0.58 -0.02 0.00 0.50 0.00 0.00 46.19 46.00 1dvt s LEU 55 CO 0.23 -0.28 0.18 -1.00 -1.32 0.00 0.00 176.35 174.15 1dvt s HIS 56 N 1.87 2.19 -1.42 5.38 3.76 -1.26 -2.52 115.29 123.30 1dvt s HIS 56 Ca 0.00 -0.74 0.00 0.00 -0.15 0.00 0.00 55.06 54.17 1dvt s HIS 56 Cb -0.16 -1.85 0.00 0.00 1.11 0.00 0.00 32.58 31.67 1dvt s HIS 56 CO -0.07 0.06 0.00 0.41 -0.85 0.00 0.00 174.74 174.29 1dvt n GLY 57 N -1.35 -0.20 0.22 -2.22 0.00 -1.26 -4.91 105.19 95.47 1dvt n GLY 57 Ca -0.06 -0.20 -0.11 0.00 0.00 0.00 0.00 46.02 45.65 1dvt n GLY 57 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1dvt h LEU 58 N 0.00 0.71 0.00 0.99 3.38 -1.86 -3.48 115.31 115.05 1dvt h LEU 58 Ca -0.39 -0.39 -0.10 0.00 0.09 0.00 0.00 57.88 57.10 1dvt h LEU 58 Cb 1.28 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.80 1dvt h LEU 58 CO 0.46 1.12 0.05 1.07 0.09 0.00 0.00 178.44 181.24 1dvt n THR 59 N -3.97 0.00 -4.47 0.22 5.66 -1.26 -4.80 114.28 105.66 1dvt n THR 59 Ca -0.04 -0.93 -0.23 0.00 -3.05 0.00 0.00 64.05 59.81 1dvt n THR 59 Cb 0.62 0.71 -0.10 0.00 -1.55 0.00 0.00 70.33 70.00 1dvt n THR 59 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 1dvt s THR 60 N -2.53 1.86 0.29 1.09 -4.23 -1.26 -4.58 115.64 106.27 1dvt s THR 60 Ca 0.15 -2.16 -0.02 0.00 -1.18 0.00 0.00 61.69 58.48 1dvt s THR 60 Cb -0.02 -2.52 0.27 0.00 1.34 0.00 0.00 72.50 71.57 1dvt s THR 60 CO 0.11 -0.27 1.93 -0.33 -0.54 0.00 0.00 174.62 175.52 1dvt h GLU 61 N 2.19 1.11 -0.58 3.99 5.08 -1.99 -0.58 114.58 123.80 1dvt h GLU 61 Ca -0.41 -0.07 -0.08 0.00 -1.00 0.00 0.00 59.36 57.81 1dvt h GLU 61 Cb 1.24 -0.25 -0.02 0.00 0.50 0.00 0.00 28.75 30.22 1dvt h GLU 61 CO 0.68 0.74 0.06 1.49 -1.00 0.00 0.00 179.01 180.97 1dvt h GLU 62 N 1.15 0.99 0.00 2.33 4.57 -2.04 -3.19 114.58 118.38 1dvt h GLU 62 Ca 0.36 -0.29 -0.20 0.00 -1.18 0.00 0.00 59.36 58.06 1dvt h GLU 62 Cb 0.01 -0.10 -0.03 0.00 -0.16 0.00 0.00 28.75 28.47 1dvt h GLU 62 CO -0.11 0.96 -0.97 0.37 -1.18 0.00 0.00 179.01 178.08 1dvt h GLN 63 N 0.89 0.00 -4.42 1.92 4.15 -1.89 -3.40 115.11 112.37 1dvt h GLN 63 Ca 0.17 0.00 -0.70 0.00 0.77 0.00 0.00 58.65 58.89 1dvt h GLN 63 Cb 0.48 0.00 -0.05 0.00 0.21 0.00 0.00 27.48 28.11 1dvt h GLN 63 CO 0.02 0.87 2.91 0.34 -1.93 0.00 0.00 178.83 181.04 1dvt n PHE 64 N -3.30 3.79 -2.13 3.99 7.35 -0.26 -4.96 117.46 121.95 1dvt n PHE 64 Ca -0.01 -2.95 -0.27 0.00 -0.76 0.00 0.00 57.45 53.46 1dvt n PHE 64 Cb 0.91 -2.57 0.10 0.00 0.35 0.00 0.00 39.48 38.27 1dvt n PHE 64 CO 0.00 0.00 0.00 0.14 -0.76 0.00 0.00 176.76 176.14 1dvt s VAL 65 N 3.40 2.15 0.61 -2.13 -7.23 -1.26 -4.93 120.40 111.00 1dvt s VAL 65 Ca 0.48 -0.20 -0.19 0.00 -1.81 0.00 0.00 61.98 60.27 1dvt s VAL 65 Cb 0.12 -2.95 -0.04 0.00 0.56 0.00 0.00 36.38 34.07 1dvt s VAL 65 CO -0.05 0.00 1.09 -0.62 -0.31 0.00 0.00 175.10 175.21 1dvt n GLU 66 N -3.17 1.02 -3.13 4.82 1.02 -1.26 -4.81 120.64 115.14 1dvt n GLU 66 Ca 0.10 0.40 0.00 0.00 -0.02 0.00 0.00 57.16 57.64 1dvt n GLU 66 Cb 0.60 -2.31 0.00 0.00 -0.02 0.00 0.00 31.44 29.72 1dvt n GLU 66 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1dvt n GLY 67 N 1.14 -2.04 3.61 0.62 0.00 -0.95 -4.97 105.19 102.59 1dvt n GLY 67 Ca 0.14 -1.46 -0.35 0.00 0.00 0.00 0.00 46.02 44.35 1dvt n GLY 67 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1dvt s ILE 68 N -1.83 4.87 0.15 -0.61 1.01 -1.26 -0.11 121.20 123.42 1dvt s ILE 68 Ca 0.00 0.00 0.10 0.00 0.00 0.00 0.00 60.65 60.75 1dvt s ILE 68 Cb 0.00 -3.23 -0.04 0.00 0.01 0.00 0.00 42.46 39.20 1dvt s ILE 68 CO 0.00 0.40 -0.21 -0.31 0.00 0.00 0.00 174.94 174.82 1dvt s TYR 69 N 0.81 2.41 -0.11 3.97 1.51 0.17 -0.68 117.35 125.43 1dvt s TYR 69 Ca 0.05 -0.32 0.01 0.00 -1.01 0.00 0.00 57.07 55.80 1dvt s TYR 69 Cb -0.13 -1.25 0.02 0.00 -0.11 0.00 0.00 41.96 40.49 1dvt s TYR 69 CO 0.02 0.42 -0.13 0.21 -1.11 0.00 0.00 175.55 174.97 1dvt s LYS 70 N -2.37 1.95 -0.29 -0.62 2.20 0.13 -1.46 119.74 119.28 1dvt s LYS 70 Ca 0.19 -0.45 -0.08 0.00 -0.36 0.00 0.00 55.97 55.26 1dvt s LYS 70 Cb -0.09 -1.75 -0.00 0.00 -1.51 0.00 0.00 37.83 34.47 1dvt s LYS 70 CO 0.10 -0.13 0.11 0.08 -0.36 0.00 0.00 175.35 175.14 1dvt s VAL 71 N 1.19 4.26 -0.21 4.02 1.01 0.38 -0.47 120.40 130.58 1dvt s VAL 71 Ca -0.03 -0.50 -0.05 0.00 0.00 0.00 0.00 61.98 61.39 1dvt s VAL 71 Cb -0.14 -3.15 -0.02 0.00 0.00 0.00 0.00 36.38 33.06 1dvt s VAL 71 CO -0.04 0.12 0.01 -0.70 0.00 0.00 0.00 175.10 174.49 1dvt s GLU 72 N 1.56 3.61 -0.24 2.72 2.12 0.87 -0.52 118.70 128.82 1dvt s GLU 72 Ca 0.04 -0.52 -0.06 0.00 0.36 0.00 0.00 54.97 54.79 1dvt s GLU 72 Cb -0.17 -3.12 -0.02 0.00 0.26 0.00 0.00 34.13 31.08 1dvt s GLU 72 CO 0.04 -0.04 0.03 0.42 -0.54 0.00 0.00 175.26 175.17 1dvt s ILE 73 N 1.15 3.95 -1.23 -3.70 1.01 0.13 -0.81 121.20 121.70 1dvt s ILE 73 Ca 0.03 -0.30 -0.18 0.00 0.00 0.00 0.00 60.65 60.20 1dvt s ILE 73 Cb -0.14 -2.83 -0.01 0.00 0.01 0.00 0.00 42.46 39.49 1dvt s ILE 73 CO 0.02 0.37 1.96 -0.67 0.00 0.00 0.00 174.94 176.62 1dvt n ASP 74 N 4.86 3.84 0.10 3.58 2.03 0.10 -1.23 116.55 129.83 1dvt n ASP 74 Ca -0.17 -2.81 -0.02 0.00 0.52 0.00 0.00 54.79 52.31 1dvt n ASP 74 Cb 0.51 -1.61 0.23 0.00 -0.72 0.00 0.00 41.12 39.53 1dvt n ASP 74 CO 0.00 0.00 0.00 0.71 -1.92 0.00 0.00 177.20 175.99 1dvt h THR 75 N 4.99 1.31 0.04 5.18 1.35 -1.86 -3.23 112.91 120.68 1dvt h THR 75 Ca 0.44 -1.51 0.01 0.00 -0.55 0.00 0.00 66.41 64.79 1dvt h THR 75 Cb 0.77 1.69 -0.01 0.00 -1.73 0.00 0.00 68.15 68.87 1dvt h THR 75 CO 1.64 0.45 -0.06 0.50 -0.25 0.00 0.00 175.52 177.80 1dvt h LYS 76 N 0.19 -0.12 -0.74 4.72 3.64 -1.74 -2.09 116.57 120.43 1dvt h LYS 76 Ca 0.02 0.01 0.03 0.00 -1.27 0.00 0.00 60.65 59.43 1dvt h LYS 76 Cb 0.81 0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 32.62 1dvt h LYS 76 CO 0.06 -0.08 0.49 0.77 -2.27 0.00 0.00 179.45 178.42 1dvt h SER 77 N -0.13 0.80 0.19 4.20 0.02 -1.86 -1.19 113.55 115.58 1dvt h SER 77 Ca 0.01 -0.01 -0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1dvt h SER 77 Cb 0.14 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.48 1dvt h SER 77 CO -0.04 0.56 -0.13 0.22 -1.14 0.00 0.00 176.83 176.30 1dvt h TYR 78 N 0.94 -0.35 -0.33 3.45 3.20 -1.46 -2.10 116.97 120.32 1dvt h TYR 78 Ca 0.29 -0.00 -0.12 0.00 3.14 0.00 0.00 58.73 62.04 1dvt h TYR 78 Cb 0.00 0.13 -0.01 0.00 1.54 0.00 0.00 36.73 38.39 1dvt h TYR 78 CO -0.00 -0.21 -0.29 -1.49 -1.64 0.00 0.00 178.16 174.53 1dvt h TRP 79 N -0.33 0.80 -0.67 -3.82 4.06 -1.06 -3.01 115.95 111.92 1dvt h TRP 79 Ca -0.01 -0.20 -0.03 0.00 2.06 0.00 0.00 58.89 60.71 1dvt h TRP 79 Cb 0.28 -0.18 -0.03 0.00 -1.00 0.00 0.00 29.16 28.23 1dvt h TRP 79 CO -0.10 0.90 0.30 0.87 -3.56 0.00 0.00 178.44 176.85 1dvt h LYS 80 N 0.60 0.96 0.00 0.49 1.57 -1.13 -0.44 116.57 118.61 1dvt h LYS 80 Ca 0.07 -0.14 -0.00 0.00 -1.87 0.00 0.00 60.65 58.71 1dvt h LYS 80 Cb 0.79 -0.17 -0.00 0.00 0.08 0.00 0.00 32.23 32.93 1dvt h LYS 80 CO 0.07 0.76 -0.02 0.00 -0.57 0.00 0.00 179.45 179.68 1dvt h ALA 81 N 1.38 1.06 -0.15 3.86 0.00 -1.24 -0.51 119.26 123.66 1dvt h ALA 81 Ca 0.23 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.12 1dvt h ALA 81 Cb 0.13 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1dvt h ALA 81 CO -0.03 0.03 0.00 1.28 0.00 0.00 0.00 179.25 180.53 1dvt n LEU 82 N -3.20 2.73 0.00 0.00 4.77 -0.43 -4.94 117.00 115.93 1dvt n LEU 82 Ca -0.02 -1.03 0.00 0.00 -0.03 0.00 0.00 56.01 54.94 1dvt n LEU 82 Cb 0.18 -0.09 0.00 0.00 -2.33 0.00 0.00 43.42 41.18 1dvt n LEU 82 CO 0.24 0.51 0.00 0.61 -1.33 0.00 0.00 177.39 177.43 1dvt n GLY 83 N 1.34 0.42 3.29 -0.72 0.00 -0.20 -5.05 105.19 104.28 1dvt n GLY 83 Ca 0.17 -0.99 -0.32 0.00 0.00 0.00 0.00 46.02 44.87 1dvt n GLY 83 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1dvt s ILE 84 N -2.00 2.44 -0.58 -0.61 1.01 -0.31 -5.01 121.20 116.15 1dvt s ILE 84 Ca 0.00 -0.89 -0.23 0.00 0.00 0.00 0.00 60.65 59.53 1dvt s ILE 84 Cb 0.00 -1.96 0.05 0.00 0.01 0.00 0.00 42.46 40.56 1dvt s ILE 84 CO 0.00 0.55 0.90 -0.94 0.00 0.00 0.00 174.94 175.45 1dvt s SER 85 N 0.19 6.26 0.70 3.58 1.04 -1.26 -3.02 113.70 121.20 1dvt s SER 85 Ca -0.12 -0.67 -0.11 0.00 0.48 0.00 0.00 55.95 55.53 1dvt s SER 85 Cb -0.16 -2.41 0.01 0.00 0.10 0.00 0.00 66.02 63.56 1dvt s SER 85 CO 0.07 -1.25 1.08 -2.16 0.98 0.00 0.00 173.24 171.96 1dvt s PRO 86 N 3.77 2.89 -0.14 4.02 0.04 -1.26 -4.97 135.00 139.35 1dvt s PRO 86 Ca 0.25 0.57 -0.23 0.00 0.04 0.00 0.00 61.00 61.63 1dvt s PRO 86 Cb -0.15 -2.02 -0.20 0.00 0.04 0.00 0.00 34.50 32.17 1dvt s PRO 86 CO 0.15 -1.04 0.53 0.35 0.04 0.00 0.00 177.00 177.03 1dvt h PHE 87 N -0.66 0.00 -3.99 0.56 3.57 -1.55 -3.47 116.94 111.39 1dvt h PHE 87 Ca -0.45 0.00 -0.45 0.00 3.53 0.00 0.00 57.97 60.60 1dvt h PHE 87 Cb 1.24 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.97 1dvt h PHE 87 CO 0.53 0.89 0.35 -1.01 -2.23 0.00 0.00 178.31 176.84 1dvt s HIS 88 N -2.14 3.43 0.18 0.41 3.76 -1.26 -4.96 115.29 114.71 1dvt s HIS 88 Ca -0.17 1.67 0.00 0.00 -0.15 0.00 0.00 55.06 56.41 1dvt s HIS 88 Cb -0.01 -2.90 0.06 0.00 1.11 0.00 0.00 32.58 30.84 1dvt s HIS 88 CO 0.55 -0.05 1.43 0.93 -0.85 0.00 0.00 174.74 176.75 1dvt h GLU 89 N 2.38 0.32 -2.09 1.40 4.39 -1.98 -3.37 114.58 115.63 1dvt h GLU 89 Ca -0.48 -0.28 0.29 0.00 0.34 0.00 0.00 59.36 59.23 1dvt h GLU 89 Cb 1.19 0.06 -0.07 0.00 -0.10 0.00 0.00 28.75 29.83 1dvt h GLU 89 CO 0.62 0.94 0.78 -3.38 -1.16 0.00 0.00 179.01 176.82 1dvt s HIS 90 N -3.50 0.01 -0.10 4.33 -3.43 -1.26 -3.59 115.29 107.75 1dvt s HIS 90 Ca -0.05 -0.21 0.03 0.00 -0.80 0.00 0.00 55.06 54.03 1dvt s HIS 90 Cb 0.10 0.60 -0.01 0.00 -1.43 0.00 0.00 32.58 31.85 1dvt s HIS 90 CO 0.83 -0.47 -0.21 0.00 -2.00 0.00 0.00 174.74 172.90 1dvt s ALA 91 N -2.21 2.31 -0.01 -1.38 0.00 -0.37 -4.89 121.76 115.21 1dvt s ALA 91 Ca 0.23 -0.96 0.08 0.00 0.00 0.00 0.00 51.96 51.32 1dvt s ALA 91 Cb 0.00 -0.91 -0.02 0.00 0.00 0.00 0.00 23.12 22.19 1dvt s ALA 91 CO 0.00 0.30 -0.26 -1.21 0.00 0.00 0.00 175.76 174.60 1dvt s GLU 92 N 0.25 2.08 -0.15 0.00 2.02 -1.26 0.22 118.70 121.86 1dvt s GLU 92 Ca -0.14 -0.95 -0.00 0.00 0.02 0.00 0.00 54.97 53.89 1dvt s GLU 92 Cb -0.17 -2.04 0.03 0.00 0.10 0.00 0.00 34.13 32.06 1dvt s GLU 92 CO 0.07 0.55 -0.07 0.08 0.02 0.00 0.00 175.26 175.91 1dvt s VAL 93 N -0.64 1.17 -0.14 2.63 1.01 0.32 -4.97 120.40 119.79 1dvt s VAL 93 Ca 0.10 -0.54 0.01 0.00 0.00 0.00 0.00 61.98 61.55 1dvt s VAL 93 Cb -0.10 -1.26 -0.00 0.00 0.00 0.00 0.00 36.38 35.02 1dvt s VAL 93 CO -0.01 0.25 -0.18 -0.69 0.00 0.00 0.00 175.10 174.47 1dvt s VAL 94 N 1.63 2.48 0.06 2.92 1.01 -1.26 -0.47 120.40 126.77 1dvt s VAL 94 Ca 0.02 -0.85 -0.17 0.00 0.00 0.00 0.00 61.98 60.99 1dvt s VAL 94 Cb -0.14 -2.02 0.03 0.00 0.00 0.00 0.00 36.38 34.26 1dvt s VAL 94 CO -0.08 0.53 0.40 0.72 0.00 0.00 0.00 175.10 176.67 1dvt s PHE 95 N 0.64 -0.23 0.02 5.22 -0.71 -0.53 -4.99 117.98 117.39 1dvt s PHE 95 Ca -0.09 0.11 -0.21 0.00 -1.04 0.00 0.00 56.93 55.70 1dvt s PHE 95 Cb -0.16 0.22 -0.06 0.00 -1.21 0.00 0.00 43.02 41.81 1dvt s PHE 95 CO 0.02 -0.60 0.62 0.99 -1.34 0.00 0.00 175.22 174.92 1dvt s THR 96 N -2.83 4.83 0.09 -4.49 2.01 -1.26 -0.65 115.64 113.34 1dvt s THR 96 Ca -0.03 1.31 0.08 0.00 0.31 0.00 0.00 61.69 63.36 1dvt s THR 96 Cb -0.00 -3.96 -0.03 0.00 0.01 0.00 0.00 72.50 68.52 1dvt s THR 96 CO -0.05 0.44 -0.22 0.00 -0.69 0.00 0.00 174.62 174.10 1dvt s ALA 97 N -0.38 1.92 -1.89 7.40 0.00 0.85 -4.77 121.76 124.88 1dvt s ALA 97 Ca 0.32 -1.23 0.00 0.00 0.00 0.00 0.00 51.96 51.05 1dvt s ALA 97 Cb -0.19 -0.31 0.00 0.00 0.00 0.00 0.00 23.12 22.62 1dvt s ALA 97 CO 0.19 0.41 0.00 0.09 0.00 0.00 0.00 175.76 176.45 1dvt n ASN 98 N 1.33 -4.69 0.28 0.00 3.02 -1.26 -2.25 115.26 111.70 1dvt n ASN 98 Ca -0.18 0.44 0.14 0.00 -0.03 0.00 0.00 54.58 54.95 1dvt n ASN 98 Cb 0.53 -4.21 0.87 0.00 -0.61 0.00 0.00 39.78 36.36 1dvt n ASN 98 CO 0.00 0.00 0.00 -2.24 -2.62 0.00 0.00 177.26 172.40 1dvt h ASP 99 N 0.00 0.00 -0.65 6.41 2.03 -1.91 -2.21 116.42 120.10 1dvt h ASP 99 Ca -0.36 0.00 -0.46 0.00 -0.73 0.00 0.00 57.03 55.47 1dvt h ASP 99 Cb 1.16 0.00 -0.40 0.00 -0.83 0.00 0.00 39.33 39.26 1dvt h ASP 99 CO 0.53 0.00 -0.86 -1.54 -1.03 0.00 0.00 179.24 176.34 1dvt n SER 100 N -3.94 4.10 0.00 4.15 3.41 -1.26 -5.08 113.62 115.01 1dvt n SER 100 Ca -0.02 -3.42 0.00 0.00 -0.26 0.00 0.00 58.87 55.17 1dvt n SER 100 Cb 0.11 -0.37 0.00 0.00 -0.26 0.00 0.00 64.21 63.69 1dvt n SER 100 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1dvt n GLY 101 N -0.70 2.04 3.73 5.00 0.00 -0.83 -5.01 105.19 109.42 1dvt n GLY 101 Ca 0.35 -2.02 -0.42 0.00 0.00 0.00 0.00 46.02 43.94 1dvt n GLY 101 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1dvt s PRO 102 N -2.28 4.30 0.20 1.61 0.04 -1.26 -4.17 135.00 133.43 1dvt s PRO 102 Ca 0.00 2.19 0.03 0.00 0.04 0.00 0.00 61.00 63.26 1dvt s PRO 102 Cb 0.00 -3.18 -0.05 0.00 0.04 0.00 0.00 34.50 31.31 1dvt s PRO 102 CO 0.00 -0.43 -0.00 1.03 0.04 0.00 0.00 177.00 177.64 1dvt s ARG 103 N 0.46 1.22 -0.17 4.56 1.81 -1.26 -4.88 118.95 120.68 1dvt s ARG 103 Ca 0.63 -1.60 -0.05 0.00 -1.72 0.00 0.00 55.73 52.99 1dvt s ARG 103 Cb -0.40 -0.44 -0.03 0.00 -0.45 0.00 0.00 34.95 33.64 1dvt s ARG 103 CO 0.36 -0.11 -0.01 1.03 -0.68 0.00 0.00 175.30 175.88 1dvt s ARG 104 N -3.89 3.71 -0.12 3.54 1.81 0.25 -4.84 118.95 119.40 1dvt s ARG 104 Ca 0.26 -0.49 0.01 0.00 -1.72 0.00 0.00 55.73 53.79 1dvt s ARG 104 Cb 0.06 -3.00 -0.01 0.00 -0.45 0.00 0.00 34.95 31.55 1dvt s ARG 104 CO 0.06 0.19 -0.16 0.71 -0.68 0.00 0.00 175.30 175.42 1dvt s TYR 105 N 0.51 2.74 -0.21 -0.53 1.51 0.19 -0.87 117.35 120.69 1dvt s TYR 105 Ca -0.02 -0.79 -0.01 0.00 -1.01 0.00 0.00 57.07 55.24 1dvt s TYR 105 Cb -0.14 -1.81 0.01 0.00 -0.11 0.00 0.00 41.96 39.91 1dvt s TYR 105 CO 0.02 -0.29 -0.12 0.99 -1.11 0.00 0.00 175.55 175.05 1dvt s THR 106 N 0.38 2.67 -0.28 -0.71 2.01 -0.41 -0.37 115.64 118.93 1dvt s THR 106 Ca -0.13 -0.83 -0.08 0.00 0.31 0.00 0.00 61.69 60.96 1dvt s THR 106 Cb -0.16 -2.22 -0.01 0.00 0.01 0.00 0.00 72.50 70.11 1dvt s THR 106 CO 0.06 0.41 0.11 -0.63 -0.69 0.00 0.00 174.62 173.89 1dvt s ILE 107 N 1.36 4.40 -0.04 1.82 -1.09 0.87 -1.17 121.20 127.34 1dvt s ILE 107 Ca 0.04 -0.36 0.03 0.00 -2.23 0.00 0.00 60.65 58.13 1dvt s ILE 107 Cb -0.14 -3.18 -0.03 0.00 -1.58 0.00 0.00 42.46 37.53 1dvt s ILE 107 CO -0.08 0.17 -0.12 0.00 -1.23 0.00 0.00 174.94 173.69 1dvt s ALA 108 N 1.60 2.79 -0.02 9.38 0.00 -0.27 -0.56 121.76 134.69 1dvt s ALA 108 Ca 0.05 -0.98 0.03 0.00 0.00 0.00 0.00 51.96 51.05 1dvt s ALA 108 Cb -0.16 -1.04 -0.00 0.00 0.00 0.00 0.00 23.12 21.92 1dvt s ALA 108 CO 0.05 0.57 -0.09 0.00 0.00 0.00 0.00 175.76 176.29 1dvt s ALA 109 N -0.81 0.81 -0.20 0.00 0.00 0.11 -1.08 121.76 120.60 1dvt s ALA 109 Ca 0.13 -0.36 -0.01 0.00 0.00 0.00 0.00 51.96 51.72 1dvt s ALA 109 Cb -0.11 -0.26 0.01 0.00 0.00 0.00 0.00 23.12 22.76 1dvt s ALA 109 CO 0.02 0.16 -0.13 -1.17 0.00 0.00 0.00 175.76 174.64 1dvt s LEU 110 N 0.01 2.51 -0.08 0.00 2.96 0.45 -0.84 118.68 123.70 1dvt s LEU 110 Ca -0.00 -0.59 -0.02 0.00 -0.22 0.00 0.00 54.13 53.30 1dvt s LEU 110 Cb -0.06 -1.59 -0.03 0.00 0.50 0.00 0.00 46.19 45.01 1dvt s LEU 110 CO 0.00 -0.02 0.01 -0.76 -1.32 0.00 0.00 176.35 174.26 1dvt s LEU 111 N 1.36 3.60 0.05 -0.68 1.43 0.17 -1.61 118.68 123.00 1dvt s LEU 111 Ca 0.05 0.14 -0.00 0.00 -1.03 0.00 0.00 54.13 53.28 1dvt s LEU 111 Cb -0.14 -1.85 -0.04 0.00 0.03 0.00 0.00 46.19 44.19 1dvt s LEU 111 CO -0.09 0.37 -0.04 -0.44 0.23 0.00 0.00 176.35 176.38 1dvt s SER 112 N -0.97 0.56 0.26 2.29 0.01 0.47 -0.78 113.70 115.54 1dvt s SER 112 Ca 0.14 -0.91 -0.02 0.00 1.31 0.00 0.00 55.95 56.47 1dvt s SER 112 Cb -0.11 0.16 0.49 0.00 0.21 0.00 0.00 66.02 66.77 1dvt s SER 112 CO 0.03 -0.52 1.80 -0.65 0.41 0.00 0.00 173.24 174.31 1dvt h PRO 113 N 3.39 0.75 -0.23 12.44 0.11 -1.99 -2.94 132.00 143.53 1dvt h PRO 113 Ca -0.34 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.73 1dvt h PRO 113 Cb 1.16 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 32.10 1dvt h PRO 113 CO 0.61 0.50 0.00 0.66 -0.21 0.00 0.00 178.00 179.56 1dvt n TYR 114 N -4.76 0.55 -3.50 0.65 4.02 -1.26 -1.31 117.16 111.55 1dvt n TYR 114 Ca 0.16 -0.72 -0.16 0.00 -0.01 0.00 0.00 57.90 57.17 1dvt n TYR 114 Cb 0.36 -0.16 -0.05 0.00 -0.02 0.00 0.00 39.34 39.47 1dvt n TYR 114 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 1dvt s SER 115 N -1.62 -0.62 0.02 7.72 0.15 -1.11 -4.96 113.70 113.28 1dvt s SER 115 Ca 0.29 0.50 -0.20 0.00 0.70 0.00 0.00 55.95 57.25 1dvt s SER 115 Cb 0.22 0.55 0.04 0.00 -1.71 0.00 0.00 66.02 65.12 1dvt s SER 115 CO 0.09 -0.70 0.44 -0.72 1.20 0.00 0.00 173.24 173.55 1dvt s TYR 116 N -1.90 -0.32 0.03 3.44 -0.85 -1.26 -0.39 117.35 116.11 1dvt s TYR 116 Ca -0.08 0.38 0.04 0.00 -0.52 0.00 0.00 57.07 56.89 1dvt s TYR 116 Cb -0.00 0.23 -0.02 0.00 0.38 0.00 0.00 41.96 42.55 1dvt s TYR 116 CO 0.04 -0.55 -0.13 -1.12 -1.52 0.00 0.00 175.55 172.27 1dvt s SER 117 N -1.76 1.50 0.01 -0.18 0.01 -0.63 -4.96 113.70 107.69 1dvt s SER 117 Ca -0.08 -0.43 0.01 0.00 1.31 0.00 0.00 55.95 56.77 1dvt s SER 117 Cb -0.02 -0.09 -0.01 0.00 0.21 0.00 0.00 66.02 66.11 1dvt s SER 117 CO 0.01 0.02 -0.04 0.28 0.41 0.00 0.00 173.24 173.91 1dvt s THR 118 N -0.82 0.33 0.10 1.44 -1.32 -1.26 -0.41 115.64 113.70 1dvt s THR 118 Ca 0.01 -0.40 0.00 0.00 -1.21 0.00 0.00 61.69 60.09 1dvt s THR 118 Cb -0.07 -0.32 -0.04 0.00 -1.51 0.00 0.00 72.50 70.55 1dvt s THR 118 CO 0.01 -0.05 -0.02 0.28 -2.21 0.00 0.00 174.62 172.63 1dvt s THR 119 N -0.45 0.42 0.02 5.08 -1.32 -0.24 -4.99 115.64 114.17 1dvt s THR 119 Ca -0.02 -1.90 0.06 0.00 -1.21 0.00 0.00 61.69 58.62 1dvt s THR 119 Cb -0.04 -1.79 -0.02 0.00 -1.51 0.00 0.00 72.50 69.14 1dvt s THR 119 CO -0.00 -0.75 -0.17 0.00 -2.21 0.00 0.00 174.62 171.48 1dvt s ALA 120 N -3.81 1.44 -0.18 11.08 0.00 -1.26 -1.11 121.76 127.92 1dvt s ALA 120 Ca 0.15 -0.86 0.01 0.00 0.00 0.00 0.00 51.96 51.26 1dvt s ALA 120 Cb 0.07 -0.30 0.03 0.00 0.00 0.00 0.00 23.12 22.92 1dvt s ALA 120 CO -0.03 0.32 -0.15 0.08 0.00 0.00 0.00 175.76 175.98 1dvt s VAL 121 N -0.66 1.81 -0.19 0.00 1.01 -0.32 -4.98 120.40 117.07 1dvt s VAL 121 Ca 0.05 -0.93 -0.04 0.00 0.00 0.00 0.00 61.98 61.06 1dvt s VAL 121 Cb -0.08 -1.74 -0.02 0.00 0.00 0.00 0.00 36.38 34.54 1dvt s VAL 121 CO 0.01 0.36 -0.04 -0.69 0.00 0.00 0.00 175.10 174.74 1dvt s VAL 122 N 1.36 3.66 0.20 2.92 1.01 -1.26 -1.28 120.40 127.00 1dvt s VAL 122 Ca 0.02 -0.42 0.10 0.00 0.00 0.00 0.00 61.98 61.68 1dvt s VAL 122 Cb -0.14 -2.63 -0.04 0.00 0.00 0.00 0.00 36.38 33.56 1dvt s VAL 122 CO -0.10 0.45 -0.15 -0.89 0.00 0.00 0.00 175.10 174.41 1dvt s THR 123 N 0.93 2.87 -2.57 3.92 2.01 -0.04 -4.95 115.64 117.80 1dvt s THR 123 Ca -0.00 -1.88 0.27 0.00 0.31 0.00 0.00 61.69 60.40 1dvt s THR 123 Cb -0.15 -2.43 0.50 0.00 0.01 0.00 0.00 72.50 70.44 1dvt s THR 123 CO 0.01 -0.16 1.67 0.59 -0.69 0.00 0.00 174.62 176.04