#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dlf s VAL 2 N 0.00 3.65 -0.06 6.31 1.01 -1.26 -3.94 120.40 126.11 1dlf s VAL 2 Ca 0.00 1.03 0.02 0.00 0.00 0.00 0.00 61.98 63.04 1dlf s VAL 2 Cb 0.00 -3.66 0.01 0.00 0.00 0.00 0.00 36.38 32.73 1dlf s VAL 2 CO 0.00 -0.01 -0.11 -0.54 0.00 0.00 0.00 175.10 174.44 1dlf s LYS 3 N 2.49 1.54 -0.01 2.72 1.02 -0.11 -5.00 119.74 122.39 1dlf s LYS 3 Ca 0.65 -0.39 0.03 0.00 0.02 0.00 0.00 55.97 56.28 1dlf s LYS 3 Cb -0.32 -1.30 -0.00 0.00 -0.52 0.00 0.00 37.83 35.68 1dlf s LYS 3 CO 0.27 0.04 -0.09 -0.51 -0.92 0.00 0.00 175.35 174.14 1dlf s LEU 4 N 0.58 1.97 -0.07 3.17 1.02 -1.26 -1.46 118.68 122.63 1dlf s LEU 4 Ca -0.12 -0.17 -0.03 0.00 0.02 0.00 0.00 54.13 53.83 1dlf s LEU 4 Cb -0.15 -0.49 0.04 0.00 0.02 0.00 0.00 46.19 45.62 1dlf s LEU 4 CO 0.03 0.10 0.14 -0.70 0.02 0.00 0.00 176.35 175.94 1dlf s GLU 5 N -0.13 0.02 0.34 1.70 2.12 -0.25 -4.18 118.70 118.32 1dlf s GLU 5 Ca 0.02 0.51 -0.12 0.00 0.36 0.00 0.00 54.97 55.74 1dlf s GLU 5 Cb -0.05 -0.30 -0.07 0.00 0.26 0.00 0.00 34.13 33.97 1dlf s GLU 5 CO -0.00 -0.30 0.71 -1.21 -0.54 0.00 0.00 175.26 173.92 1dlf s GLU 6 N 2.15 3.86 0.15 4.30 8.01 -1.26 -1.24 118.70 134.67 1dlf s GLU 6 Ca 0.02 0.49 -0.11 0.00 0.01 0.00 0.00 54.97 55.38 1dlf s GLU 6 Cb -0.12 -2.46 0.00 0.00 -4.31 0.00 0.00 34.13 27.24 1dlf s GLU 6 CO -0.05 0.11 0.31 -1.54 0.01 0.00 0.00 175.26 174.09 1dlf s SER 7 N -2.70 -0.02 0.00 -0.19 1.04 0.09 -4.83 113.70 107.09 1dlf s SER 7 Ca 0.51 -0.70 0.00 0.00 0.48 0.00 0.00 55.95 56.25 1dlf s SER 7 Cb -0.10 0.44 0.00 0.00 0.10 0.00 0.00 66.02 66.45 1dlf s SER 7 CO 0.24 -0.87 0.00 0.61 0.98 0.00 0.00 173.24 174.20 1dlf n GLY 8 N -0.20 0.75 3.73 7.32 0.00 -1.26 -1.01 105.19 114.53 1dlf n GLY 8 Ca -0.11 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.61 1dlf n GLY 8 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1dlf s GLY 9 N -1.79 1.67 0.00 -0.02 0.00 -1.26 -4.67 107.32 101.25 1dlf s GLY 9 Ca 0.00 0.31 0.00 0.00 0.00 0.00 0.00 44.72 45.03 1dlf s GLY 9 CO 0.00 0.70 0.00 0.61 0.00 0.00 0.00 173.10 174.41 1dlf n GLY 10 N -0.80 -1.72 3.69 0.20 0.00 -0.34 -4.90 105.19 101.32 1dlf n GLY 10 Ca 0.09 -1.12 -0.42 0.00 0.00 0.00 0.00 46.02 44.57 1dlf n GLY 10 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1dlf s LEU 11 N 0.00 4.27 0.03 0.99 2.96 -1.26 -1.29 118.68 124.39 1dlf s LEU 11 Ca 0.00 1.67 -0.00 0.00 -0.22 0.00 0.00 54.13 55.58 1dlf s LEU 11 Cb 0.00 -3.56 -0.03 0.00 0.50 0.00 0.00 46.19 43.11 1dlf s LEU 11 CO 0.00 -0.49 -0.03 0.54 -1.32 0.00 0.00 176.35 175.05 1dlf s VAL 12 N 1.99 0.18 0.20 1.68 0.11 0.45 -4.96 120.40 120.05 1dlf s VAL 12 Ca 0.52 -1.17 -0.30 0.00 -2.93 0.00 0.00 61.98 58.11 1dlf s VAL 12 Cb -0.21 -0.63 -0.08 0.00 -1.53 0.00 0.00 36.38 33.93 1dlf s VAL 12 CO 0.21 -0.62 0.93 -1.58 -3.33 0.00 0.00 175.10 170.70 1dlf s GLN 13 N -2.13 4.80 0.22 1.54 2.00 -1.26 -0.93 119.66 123.90 1dlf s GLN 13 Ca -0.09 1.45 -0.30 0.00 -2.00 0.00 0.00 55.36 54.42 1dlf s GLN 13 Cb -0.05 -3.30 -0.15 0.00 0.80 0.00 0.00 33.01 30.30 1dlf s GLN 13 CO -0.03 0.46 0.94 -2.30 -0.50 0.00 0.00 175.29 173.85 1dlf n PRO 14 N 1.79 0.92 0.00 1.67 -0.02 -1.26 -0.17 135.00 137.94 1dlf n PRO 14 Ca -0.01 0.33 0.00 0.00 -2.02 0.00 0.00 63.50 61.79 1dlf n PRO 14 Cb 0.48 -1.65 0.00 0.00 -0.02 0.00 0.00 33.50 32.31 1dlf n PRO 14 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1dlf n GLY 15 N 1.64 2.83 1.75 -1.23 0.00 0.67 -4.91 105.19 105.95 1dlf n GLY 15 Ca 0.13 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.02 1dlf n GLY 15 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1dlf n GLY 16 N -2.00 -1.73 3.08 -0.02 0.00 0.76 -3.62 105.19 101.66 1dlf n GLY 16 Ca 0.00 -1.62 -0.13 0.00 0.00 0.00 0.00 46.02 44.28 1dlf n GLY 16 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1dlf s SER 17 N -3.15 0.90 -0.27 1.61 0.01 -1.26 -1.27 113.70 110.27 1dlf s SER 17 Ca 0.35 -0.61 -0.21 0.00 1.31 0.00 0.00 55.95 56.79 1dlf s SER 17 Cb -0.02 0.04 0.07 0.00 0.21 0.00 0.00 66.02 66.33 1dlf s SER 17 CO 0.25 -0.23 0.69 -0.32 0.41 0.00 0.00 173.24 174.04 1dlf s MET 18 N -1.86 0.76 -0.18 12.44 0.00 -0.23 -5.00 119.30 125.23 1dlf s MET 18 Ca -0.07 1.07 -0.04 0.00 0.00 0.00 0.00 55.69 56.65 1dlf s MET 18 Cb -0.08 0.28 -0.02 0.00 0.00 0.00 0.00 34.83 35.01 1dlf s MET 18 CO -0.00 -0.12 -0.04 0.21 0.00 0.00 0.00 175.02 175.07 1dlf s LYS 19 N 0.91 3.53 -0.01 4.11 2.20 -1.26 -0.08 119.74 129.13 1dlf s LYS 19 Ca -0.04 -0.57 -0.01 0.00 -0.36 0.00 0.00 55.97 54.98 1dlf s LYS 19 Cb -0.05 -2.95 -0.04 0.00 -1.51 0.00 0.00 37.83 33.28 1dlf s LYS 19 CO -0.08 0.04 0.11 -0.51 -0.36 0.00 0.00 175.35 174.55 1dlf s LEU 20 N 0.88 4.05 0.23 5.43 1.43 0.26 -4.54 118.68 126.41 1dlf s LEU 20 Ca -0.01 0.22 0.10 0.00 -1.03 0.00 0.00 54.13 53.41 1dlf s LEU 20 Cb -0.15 -2.36 -0.05 0.00 0.03 0.00 0.00 46.19 43.67 1dlf s LEU 20 CO 0.01 0.28 -0.18 -0.44 0.23 0.00 0.00 176.35 176.25 1dlf s SER 21 N -1.75 3.02 -0.12 2.29 0.01 -0.18 -1.05 113.70 115.92 1dlf s SER 21 Ca 0.24 -0.99 -0.04 0.00 1.31 0.00 0.00 55.95 56.47 1dlf s SER 21 Cb -0.12 -0.21 0.06 0.00 0.21 0.00 0.00 66.02 65.96 1dlf s SER 21 CO 0.15 -0.05 0.14 0.00 0.41 0.00 0.00 173.24 173.89 1dlf s ALA 23 N 2.25 3.57 0.15 0.00 0.00 -0.37 -1.78 121.76 125.57 1dlf s ALA 23 Ca 0.04 -0.29 0.06 0.00 0.00 0.00 0.00 51.96 51.77 1dlf s ALA 23 Cb -0.14 -2.49 -0.04 0.00 0.00 0.00 0.00 23.12 20.45 1dlf s ALA 23 CO -0.07 0.15 -0.13 0.95 0.00 0.00 0.00 175.76 176.66 1dlf s THR 24 N 0.15 1.37 0.20 0.00 -4.23 -1.00 -1.08 115.64 111.04 1dlf s THR 24 Ca 0.22 -1.96 -0.23 0.00 -1.18 0.00 0.00 61.69 58.55 1dlf s THR 24 Cb -0.15 -1.77 0.05 0.00 1.34 0.00 0.00 72.50 71.98 1dlf s THR 24 CO 0.09 -0.58 0.68 -0.94 -0.54 0.00 0.00 174.62 173.33 1dlf s SER 25 N -2.92 -0.42 0.00 3.99 1.04 -0.53 -4.87 113.70 109.99 1dlf s SER 25 Ca 0.15 -0.26 0.00 0.00 0.48 0.00 0.00 55.95 56.31 1dlf s SER 25 Cb -0.01 0.64 0.00 0.00 0.10 0.00 0.00 66.02 66.74 1dlf s SER 25 CO 0.03 -1.10 0.00 0.61 0.98 0.00 0.00 173.24 173.76 1dlf n GLY 26 N -0.41 0.81 3.52 7.32 0.00 -1.25 -0.94 105.19 114.23 1dlf n GLY 26 Ca -0.11 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.82 1dlf n GLY 26 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1dlf s PHE 27 N -2.12 0.30 -0.87 1.61 -0.12 -1.26 -4.22 117.98 111.30 1dlf s PHE 27 Ca 0.00 -0.66 -0.25 0.00 -0.05 0.00 0.00 56.93 55.97 1dlf s PHE 27 Cb 0.00 0.16 0.02 0.00 -0.63 0.00 0.00 43.02 42.57 1dlf s PHE 27 CO 0.00 -0.91 1.49 0.99 -0.05 0.00 0.00 175.22 176.73 1dlf s THR 28 N -3.99 3.74 0.39 -4.49 2.01 -1.26 -4.86 115.64 107.19 1dlf s THR 28 Ca 0.19 -0.21 0.07 0.00 0.31 0.00 0.00 61.69 62.05 1dlf s THR 28 Cb 0.00 -4.78 0.21 0.00 0.01 0.00 0.00 72.50 67.95 1dlf s THR 28 CO 0.05 -1.70 1.98 0.15 -0.69 0.00 0.00 174.62 174.41 1dlf h PHE 29 N 10.55 0.44 -0.14 4.92 3.57 -1.96 -2.63 116.94 131.69 1dlf h PHE 29 Ca -0.02 -0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.47 1dlf h PHE 29 Cb 1.04 -0.14 -0.01 0.00 2.79 0.00 0.00 35.95 39.63 1dlf h PHE 29 CO 1.20 0.38 0.10 0.77 -2.23 0.00 0.00 178.31 178.53 1dlf h SER 30 N 0.44 0.12 0.92 0.41 0.02 -1.89 -1.97 113.55 111.60 1dlf h SER 30 Ca 0.11 -0.00 -0.09 0.00 -0.84 0.00 0.00 61.79 60.97 1dlf h SER 30 Cb 0.15 -0.03 -0.02 0.00 0.14 0.00 0.00 62.40 62.65 1dlf h SER 30 CO -0.01 0.09 -1.13 0.44 -1.14 0.00 0.00 176.83 175.08 1dlf h ASP 31 N 0.14 0.00 -3.68 3.07 3.32 -1.87 -3.38 116.42 114.02 1dlf h ASP 31 Ca 0.06 0.00 -0.52 0.00 0.02 0.00 0.00 57.03 56.58 1dlf h ASP 31 Cb 0.06 0.00 0.06 0.00 0.22 0.00 0.00 39.33 39.67 1dlf h ASP 31 CO -0.01 0.32 0.69 0.00 -1.72 0.00 0.00 179.24 178.52 1dlf s ALA 32 N -3.11 3.55 -0.19 3.45 0.00 -0.74 -4.66 121.76 120.05 1dlf s ALA 32 Ca -0.01 1.29 -0.19 0.00 0.00 0.00 0.00 51.96 53.05 1dlf s ALA 32 Cb 0.09 -3.51 -0.03 0.00 0.00 0.00 0.00 23.12 19.66 1dlf s ALA 32 CO 0.79 -0.69 0.53 -1.58 0.00 0.00 0.00 175.76 174.81 1dlf s TRP 33 N -0.66 3.39 0.12 0.00 0.52 -1.19 -3.85 118.94 117.26 1dlf s TRP 33 Ca 0.53 0.81 0.05 0.00 0.02 0.00 0.00 56.10 57.51 1dlf s TRP 33 Cb -0.41 -2.67 -0.04 0.00 -1.15 0.00 0.00 33.47 29.20 1dlf s TRP 33 CO 0.49 -0.08 0.01 -1.64 0.02 0.00 0.00 176.95 175.76 1dlf s MET 34 N 1.55 2.55 0.02 4.98 -1.94 -0.52 -0.04 119.30 125.90 1dlf s MET 34 Ca 0.25 -0.90 -0.05 0.00 -1.71 0.00 0.00 55.69 53.28 1dlf s MET 34 Cb -0.15 -2.51 -0.01 0.00 2.01 0.00 0.00 34.83 34.17 1dlf s MET 34 CO 0.10 0.51 0.08 -0.51 -0.01 0.00 0.00 175.02 175.19 1dlf s ASP 35 N -2.54 0.14 -0.10 3.03 1.11 0.39 -1.01 116.67 117.68 1dlf s ASP 35 Ca 0.27 -0.40 0.01 0.00 0.18 0.00 0.00 52.55 52.61 1dlf s ASP 35 Cb -0.11 0.18 -0.02 0.00 1.07 0.00 0.00 42.92 44.04 1dlf s ASP 35 CO 0.19 -0.40 -0.12 0.26 1.18 0.00 0.00 175.17 176.29 1dlf s TRP 36 N -1.81 2.82 -0.01 4.23 0.52 -0.30 -1.54 118.94 122.84 1dlf s TRP 36 Ca -0.12 -0.36 0.05 0.00 0.02 0.00 0.00 56.10 55.69 1dlf s TRP 36 Cb -0.06 -1.77 -0.01 0.00 -1.15 0.00 0.00 33.47 30.47 1dlf s TRP 36 CO -0.01 0.01 -0.16 0.08 0.02 0.00 0.00 176.95 176.88 1dlf s VAL 37 N -0.14 1.30 0.19 4.03 1.01 -0.13 -0.72 120.40 125.94 1dlf s VAL 37 Ca -0.00 -0.73 0.11 0.00 0.00 0.00 0.00 61.98 61.36 1dlf s VAL 37 Cb -0.13 -1.09 -0.04 0.00 0.00 0.00 0.00 36.38 35.11 1dlf s VAL 37 CO 0.03 0.35 -0.19 0.00 0.00 0.00 0.00 175.10 175.29 1dlf s ARG 38 N -0.44 1.70 -0.60 2.72 1.70 -0.14 -0.06 118.95 123.83 1dlf s ARG 38 Ca 0.06 -1.44 -0.06 0.00 -0.47 0.00 0.00 55.73 53.83 1dlf s ARG 38 Cb -0.06 -1.95 0.16 0.00 -0.57 0.00 0.00 34.95 32.52 1dlf s ARG 38 CO -0.00 0.41 0.44 -1.14 -1.08 0.00 0.00 175.30 173.93 1dlf s GLN 39 N -2.72 2.62 0.19 3.89 0.74 0.71 -0.58 119.66 124.51 1dlf s GLN 39 Ca 0.22 -2.30 -0.13 0.00 0.05 0.00 0.00 55.36 53.20 1dlf s GLN 39 Cb -0.08 -3.85 -0.07 0.00 1.10 0.00 0.00 33.01 30.11 1dlf s GLN 39 CO 0.12 -1.18 0.57 -1.54 -0.55 0.00 0.00 175.29 172.71 1dlf s SER 40 N 1.39 6.77 0.00 6.67 1.04 -0.25 -1.29 113.70 128.03 1dlf s SER 40 Ca 0.14 1.06 0.17 0.00 0.48 0.00 0.00 55.95 57.81 1dlf s SER 40 Cb -0.20 -2.28 0.86 0.00 0.10 0.00 0.00 66.02 64.49 1dlf s SER 40 CO -0.04 0.02 1.52 -0.81 0.98 0.00 0.00 173.24 174.91 1dlf n PRO 41 N 0.42 0.21 -0.11 4.02 -0.04 -1.26 -0.68 135.00 137.56 1dlf n PRO 41 Ca -0.03 0.13 -0.19 0.00 -0.04 0.00 0.00 63.50 63.38 1dlf n PRO 41 Cb 0.52 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 32.36 1dlf n PRO 41 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1dlf n GLU 42 N -1.31 0.67 -0.00 0.54 4.71 -1.26 -4.72 120.64 119.26 1dlf n GLU 42 Ca 0.08 0.17 0.05 0.00 -0.01 0.00 0.00 57.16 57.44 1dlf n GLU 42 Cb 0.15 -1.55 -0.07 0.00 -1.01 0.00 0.00 31.44 28.96 1dlf n GLU 42 CO 0.00 0.00 0.00 1.63 0.09 0.00 0.00 177.13 178.85 1dlf n LYS 43 N -3.29 1.30 0.00 3.49 4.76 -1.19 -5.11 118.16 118.11 1dlf n LYS 43 Ca -0.43 -0.06 0.00 0.00 -2.87 0.00 0.00 58.31 54.94 1dlf n LYS 43 Cb 1.00 -1.14 0.00 0.00 -1.84 0.00 0.00 35.03 33.05 1dlf n LYS 43 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1dlf n GLY 44 N 1.76 -0.34 3.67 0.72 0.00 0.14 -4.81 105.19 106.33 1dlf n GLY 44 Ca -0.01 -1.16 -0.43 0.00 0.00 0.00 0.00 46.02 44.43 1dlf n GLY 44 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1dlf s LEU 45 N 0.00 4.23 -0.09 0.99 1.43 -1.26 -1.09 118.68 122.89 1dlf s LEU 45 Ca 0.00 1.77 -0.06 0.00 -1.03 0.00 0.00 54.13 54.80 1dlf s LEU 45 Cb 0.00 -3.55 0.03 0.00 0.03 0.00 0.00 46.19 42.70 1dlf s LEU 45 CO 0.00 -0.68 0.22 -1.83 0.23 0.00 0.00 176.35 174.29 1dlf s GLU 46 N 2.86 0.22 0.32 1.70 -1.05 0.25 -5.00 118.70 118.00 1dlf s GLU 46 Ca 0.56 0.38 -0.29 0.00 -0.15 0.00 0.00 54.97 55.47 1dlf s GLU 46 Cb -0.23 0.01 -0.10 0.00 -0.44 0.00 0.00 34.13 33.36 1dlf s GLU 46 CO 0.19 -0.09 1.38 -0.46 0.95 0.00 0.00 175.26 177.23 1dlf s TRP 47 N 0.60 2.93 -0.12 4.83 -0.00 -1.26 -0.96 118.94 124.96 1dlf s TRP 47 Ca -0.04 1.25 -0.05 0.00 -0.00 0.00 0.00 56.10 57.26 1dlf s TRP 47 Cb -0.05 -3.80 -0.05 0.00 -0.00 0.00 0.00 33.47 29.57 1dlf s TRP 47 CO -0.03 -2.34 -0.15 0.28 -0.00 0.00 0.00 176.95 174.71 1dlf n VAL 48 N 1.12 0.66 -3.63 5.86 0.31 0.10 -4.62 118.33 118.13 1dlf n VAL 48 Ca 0.02 -0.18 -0.16 0.00 -0.01 0.00 0.00 64.34 64.02 1dlf n VAL 48 Cb 0.41 -1.59 -0.07 0.00 -0.91 0.00 0.00 33.84 31.68 1dlf n VAL 48 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1dlf s ALA 49 N -2.22 -1.37 -0.01 3.52 0.00 -1.05 -0.87 121.76 119.77 1dlf s ALA 49 Ca -0.17 1.00 0.03 0.00 0.00 0.00 0.00 51.96 52.82 1dlf s ALA 49 Cb 0.06 -0.10 -0.01 0.00 0.00 0.00 0.00 23.12 23.07 1dlf s ALA 49 CO 0.22 -0.32 -0.09 -2.00 0.00 0.00 0.00 175.76 173.57 1dlf s GLU 50 N -1.03 0.71 -0.13 0.00 2.12 0.69 -1.15 118.70 119.90 1dlf s GLU 50 Ca -0.10 -0.31 0.01 0.00 0.36 0.00 0.00 54.97 54.92 1dlf s GLU 50 Cb -0.02 -0.69 0.02 0.00 0.26 0.00 0.00 34.13 33.69 1dlf s GLU 50 CO 0.07 0.19 -0.15 -1.50 -0.54 0.00 0.00 175.26 173.32 1dlf s ILE 51 N -0.20 1.59 0.91 -3.70 2.07 -0.18 -0.87 121.20 120.82 1dlf s ILE 51 Ca 0.03 -0.67 -0.12 0.00 -1.41 0.00 0.00 60.65 58.48 1dlf s ILE 51 Cb -0.03 -1.47 0.13 0.00 0.13 0.00 0.00 42.46 41.22 1dlf s ILE 51 CO -0.00 0.46 1.13 -0.13 -1.91 0.00 0.00 174.94 174.49 1dlf s ARG 52 N 1.24 1.19 0.92 3.50 0.52 0.20 -1.44 118.95 125.07 1dlf s ARG 52 Ca -0.00 0.34 -0.13 0.00 -0.52 0.00 0.00 55.73 55.42 1dlf s ARG 52 Cb -0.14 -1.84 0.14 0.00 0.52 0.00 0.00 34.95 33.63 1dlf s ARG 52 CO -0.06 -2.17 1.16 0.54 0.02 0.00 0.00 175.30 174.78 1dlf s ASN 52 N -3.98 3.48 0.32 0.23 2.20 -1.25 -4.06 114.94 111.89 1dlf s ASN 52 Ca 0.64 0.86 0.05 0.00 -0.94 0.00 0.00 52.86 53.47 1dlf s ASN 52 Cb -0.15 -1.37 0.70 0.00 -2.00 0.00 0.00 41.25 38.43 1dlf s ASN 52 CO 0.54 -2.56 1.85 0.50 -2.94 0.00 0.00 177.10 174.49 1dlf h LYS 52 N -1.50 0.80 0.00 3.55 3.64 -1.91 -0.82 116.57 120.34 1dlf h LYS 52 Ca -0.49 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 58.84 1dlf h LYS 52 Cb 1.32 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 32.96 1dlf h LYS 52 CO 0.59 0.53 0.00 0.00 -2.27 0.00 0.00 179.45 178.30 1dlf h ALA 52 N 1.58 1.00 -0.74 5.00 0.00 -1.92 -0.89 119.26 123.29 1dlf h ALA 52 Ca 0.47 0.00 -0.48 0.00 0.00 0.00 0.00 54.91 54.90 1dlf h ALA 52 Cb 0.62 0.00 -0.28 0.00 0.00 0.00 0.00 17.79 18.13 1dlf h ALA 52 CO -0.24 0.00 0.10 0.09 0.00 0.00 0.00 179.25 179.20 1dlf n ASN 53 N -2.80 4.97 -1.20 0.00 3.02 -0.42 -4.94 115.26 113.89 1dlf n ASN 53 Ca 0.00 -3.76 -0.14 0.00 -0.03 0.00 0.00 54.58 50.65 1dlf n ASN 53 Cb 0.22 -0.69 -0.05 0.00 -0.61 0.00 0.00 39.78 38.66 1dlf n ASN 53 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 1dlf n ASN 54 N -0.95 -4.63 -2.80 6.41 4.05 -0.34 -2.27 115.26 114.75 1dlf n ASN 54 Ca 0.49 0.27 -0.15 0.00 0.45 0.00 0.00 54.58 55.64 1dlf n ASN 54 Cb 0.97 -3.46 -0.00 0.00 1.23 0.00 0.00 39.78 38.51 1dlf n ASN 54 CO 0.00 0.00 0.00 1.41 -3.05 0.00 0.00 177.26 175.62 1dlf n HIS 55 N -2.90 -1.62 -1.99 1.20 8.25 -0.59 -4.85 115.22 112.72 1dlf n HIS 55 Ca -0.15 0.18 -0.39 0.00 -0.26 0.00 0.00 57.72 57.10 1dlf n HIS 55 Cb 0.50 -2.63 0.01 0.00 1.12 0.00 0.00 29.99 28.99 1dlf n HIS 55 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1dlf s ALA 56 N -2.67 3.09 0.10 -1.41 0.00 -0.96 -4.43 121.76 115.48 1dlf s ALA 56 Ca 0.15 1.23 0.07 0.00 0.00 0.00 0.00 51.96 53.41 1dlf s ALA 56 Cb -0.08 -3.50 -0.04 0.00 0.00 0.00 0.00 23.12 19.50 1dlf s ALA 56 CO 0.19 -0.98 -0.12 0.95 0.00 0.00 0.00 175.76 175.80 1dlf s THR 57 N -1.32 3.26 -0.11 0.00 -4.23 -1.26 -0.63 115.64 111.34 1dlf s THR 57 Ca 0.62 -1.27 -0.06 0.00 -1.18 0.00 0.00 61.69 59.80 1dlf s THR 57 Cb -0.37 -2.50 0.04 0.00 1.34 0.00 0.00 72.50 71.01 1dlf s THR 57 CO 0.47 0.14 0.27 -0.47 -0.54 0.00 0.00 174.62 174.49 1dlf s TYR 58 N -1.17 -0.36 0.05 3.99 5.04 -0.05 -5.00 117.35 119.86 1dlf s TYR 58 Ca 0.20 0.84 0.05 0.00 -2.44 0.00 0.00 57.07 55.72 1dlf s TYR 58 Cb -0.11 0.08 -0.02 0.00 0.35 0.00 0.00 41.96 42.26 1dlf s TYR 58 CO 0.12 -0.23 -0.14 0.71 -1.34 0.00 0.00 175.55 174.67 1dlf s TYR 59 N 1.11 1.18 0.39 4.97 2.02 -1.26 -0.22 117.35 125.53 1dlf s TYR 59 Ca -0.08 -0.39 -0.27 0.00 -0.37 0.00 0.00 57.07 55.96 1dlf s TYR 59 Cb -0.09 -0.69 -0.11 0.00 -0.40 0.00 0.00 41.96 40.68 1dlf s TYR 59 CO -0.08 0.03 1.44 0.00 -1.57 0.00 0.00 175.55 175.38 1dlf n ALA 60 N 1.72 2.12 -0.29 3.71 0.00 -0.05 -4.82 120.51 122.90 1dlf n ALA 60 Ca -0.19 0.32 0.21 0.00 0.00 0.00 0.00 53.44 53.79 1dlf n ALA 60 Cb 0.55 -2.39 0.52 0.00 0.00 0.00 0.00 19.45 18.13 1dlf n ALA 60 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1dlf h GLU 61 N 2.73 0.38 0.00 0.00 4.22 -1.95 -1.80 114.58 118.16 1dlf h GLU 61 Ca -0.50 -0.02 0.00 0.00 0.08 0.00 0.00 59.36 58.92 1dlf h GLU 61 Cb 1.26 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 30.42 1dlf h GLU 61 CO 0.63 0.25 0.00 0.66 -2.18 0.00 0.00 179.01 178.37 1dlf h SER 62 N 0.39 0.00 -0.00 1.04 4.64 -1.97 -3.12 113.55 114.54 1dlf h SER 62 Ca 0.53 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.85 1dlf h SER 62 Cb 1.36 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.45 1dlf h SER 62 CO -0.22 0.00 -0.15 1.33 -0.87 0.00 0.00 176.83 176.92 1dlf n VAL 63 N -2.68 0.00 -1.69 0.95 0.24 -0.75 -4.98 118.33 109.42 1dlf n VAL 63 Ca 0.01 -0.43 -0.43 0.00 -2.04 0.00 0.00 64.34 61.46 1dlf n VAL 63 Cb 0.28 1.02 -0.03 0.00 -1.47 0.00 0.00 33.84 33.63 1dlf n VAL 63 CO 0.00 0.00 0.00 1.17 -2.14 0.00 0.00 176.83 175.86 1dlf n LYS 64 N -0.85 2.71 0.00 7.34 4.81 -0.79 -0.85 118.16 130.54 1dlf n LYS 64 Ca 0.01 0.98 0.00 0.00 -0.87 0.00 0.00 58.31 58.44 1dlf n LYS 64 Cb 0.07 -2.86 0.00 0.00 0.02 0.00 0.00 35.03 32.25 1dlf n LYS 64 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1dlf n GLY 65 N 4.16 3.16 0.07 3.14 0.00 -1.26 -4.81 105.19 109.65 1dlf n GLY 65 Ca 0.18 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.13 1dlf n GLY 65 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1dlf n ARG 66 N -2.00 1.68 -4.22 1.61 1.74 -0.03 -5.01 116.66 110.43 1dlf n ARG 66 Ca 0.00 0.00 -0.32 0.00 -0.77 0.00 0.00 57.85 56.76 1dlf n ARG 66 Cb 0.00 -1.34 -0.08 0.00 -1.02 0.00 0.00 32.46 30.01 1dlf n ARG 66 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 1dlf s PHE 67 N -2.33 3.11 -0.11 -1.55 0.40 -0.70 -1.02 117.98 115.78 1dlf s PHE 67 Ca -0.08 0.09 0.00 0.00 -0.60 0.00 0.00 56.93 56.35 1dlf s PHE 67 Cb 0.04 -1.67 0.02 0.00 0.51 0.00 0.00 43.02 41.93 1dlf s PHE 67 CO 0.54 0.48 -0.10 0.99 0.70 0.00 0.00 175.22 177.83 1dlf s THR 68 N -1.14 1.17 -0.14 0.64 2.01 0.13 -4.87 115.64 113.44 1dlf s THR 68 Ca 0.21 -0.40 -0.08 0.00 0.31 0.00 0.00 61.69 61.73 1dlf s THR 68 Cb -0.12 -1.14 -0.04 0.00 0.01 0.00 0.00 72.50 71.21 1dlf s THR 68 CO 0.12 0.39 0.14 -0.51 -0.69 0.00 0.00 174.62 174.07 1dlf s ILE 69 N 1.45 5.48 0.15 1.82 2.07 -1.26 -0.50 121.20 130.40 1dlf s ILE 69 Ca 0.01 0.21 -0.06 0.00 -1.41 0.00 0.00 60.65 59.41 1dlf s ILE 69 Cb -0.13 -3.42 -0.02 0.00 0.13 0.00 0.00 42.46 39.01 1dlf s ILE 69 CO -0.06 0.57 0.19 -0.44 -1.91 0.00 0.00 174.94 173.29 1dlf s SER 70 N -0.64 0.15 0.02 4.50 0.01 -0.76 -4.98 113.70 112.00 1dlf s SER 70 Ca 0.13 -1.03 -0.01 0.00 1.31 0.00 0.00 55.95 56.36 1dlf s SER 70 Cb -0.12 0.38 -0.02 0.00 0.21 0.00 0.00 66.02 66.48 1dlf s SER 70 CO 0.02 -0.83 -0.01 0.00 0.41 0.00 0.00 173.24 172.84 1dlf s ARG 71 N -4.01 0.32 -0.31 12.44 1.70 -1.26 -0.53 118.95 127.30 1dlf s ARG 71 Ca 0.21 -0.56 0.03 0.00 -0.47 0.00 0.00 55.73 54.94 1dlf s ARG 71 Cb 0.05 0.12 0.08 0.00 -0.57 0.00 0.00 34.95 34.63 1dlf s ARG 71 CO 0.01 -0.06 -0.01 0.34 -1.08 0.00 0.00 175.30 174.51 1dlf s ASP 72 N -1.38 4.69 0.29 -2.89 -1.08 0.43 -5.00 116.67 111.72 1dlf s ASP 72 Ca -0.15 -1.77 0.03 0.00 -0.52 0.00 0.00 52.55 50.14 1dlf s ASP 72 Cb -0.09 -1.62 0.43 0.00 -1.46 0.00 0.00 42.92 40.18 1dlf s ASP 72 CO -0.01 -0.31 1.73 0.44 0.52 0.00 0.00 175.17 177.55 1dlf h ASP 73 N 7.74 0.45 0.62 -0.34 3.32 -1.96 0.41 116.42 126.67 1dlf h ASP 73 Ca -0.12 -0.15 -0.11 0.00 0.02 0.00 0.00 57.03 56.67 1dlf h ASP 73 Cb 1.03 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 40.45 1dlf h ASP 73 CO 0.51 0.71 -0.52 0.77 -1.72 0.00 0.00 179.24 178.99 1dlf h SER 74 N 0.40 0.00 1.00 6.45 4.64 -1.96 -2.34 113.55 121.74 1dlf h SER 74 Ca 0.06 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.38 1dlf h SER 74 Cb 0.67 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.76 1dlf h SER 74 CO 0.05 0.52 -0.78 0.11 -0.87 0.00 0.00 176.83 175.86 1dlf h LYS 75 N 0.00 0.00 -6.05 4.77 1.57 -1.91 -3.48 116.57 111.48 1dlf h LYS 75 Ca -0.01 0.00 -0.41 0.00 -1.87 0.00 0.00 60.65 58.37 1dlf h LYS 75 Cb 0.97 0.00 0.07 0.00 0.08 0.00 0.00 32.23 33.35 1dlf h LYS 75 CO 0.07 0.00 -0.83 0.54 -0.57 0.00 0.00 179.45 178.65 1dlf n ARG 76 N -2.46 -4.75 -4.31 3.15 1.74 0.14 -4.73 116.66 105.43 1dlf n ARG 76 Ca 0.02 0.63 -0.24 0.00 -0.77 0.00 0.00 57.85 57.49 1dlf n ARG 76 Cb 0.50 -5.19 -0.12 0.00 -1.02 0.00 0.00 32.46 26.63 1dlf n ARG 76 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 1dlf s ARG 77 N -5.89 1.19 0.09 5.56 0.52 -0.76 -2.38 118.95 117.29 1dlf s ARG 77 Ca 0.04 -1.25 0.07 0.00 -0.52 0.00 0.00 55.73 54.07 1dlf s ARG 77 Cb -0.01 -1.42 -0.03 0.00 0.52 0.00 0.00 34.95 34.00 1dlf s ARG 77 CO 0.81 0.32 -0.19 0.54 0.02 0.00 0.00 175.30 176.79 1dlf s VAL 78 N -1.39 1.58 0.10 3.52 0.11 -0.74 -0.43 120.40 123.15 1dlf s VAL 78 Ca 0.10 -1.47 0.05 0.00 -2.93 0.00 0.00 61.98 57.72 1dlf s VAL 78 Cb -0.09 -1.44 -0.04 0.00 -1.53 0.00 0.00 36.38 33.28 1dlf s VAL 78 CO 0.05 -0.08 -0.12 -0.31 -3.33 0.00 0.00 175.10 171.31 1dlf s TYR 79 N -1.17 1.18 -0.23 1.54 2.02 0.31 -0.36 117.35 120.65 1dlf s TYR 79 Ca 0.05 -0.61 -0.02 0.00 -0.37 0.00 0.00 57.07 56.12 1dlf s TYR 79 Cb -0.10 -0.64 0.07 0.00 -0.40 0.00 0.00 41.96 40.90 1dlf s TYR 79 CO 0.04 0.05 0.04 -1.17 -1.57 0.00 0.00 175.55 172.94 1dlf s LEU 80 N -2.40 1.51 -0.30 -1.29 2.96 -0.21 -1.82 118.68 117.13 1dlf s LEU 80 Ca 0.06 -1.05 -0.24 0.00 -0.22 0.00 0.00 54.13 52.68 1dlf s LEU 80 Cb -0.04 -0.70 0.00 0.00 0.50 0.00 0.00 46.19 45.95 1dlf s LEU 80 CO 0.01 -0.33 0.81 -1.58 -1.32 0.00 0.00 176.35 173.94 1dlf s GLN 81 N 1.77 4.00 -0.16 1.98 2.00 0.34 -0.58 119.66 129.02 1dlf s GLN 81 Ca 0.01 0.66 -0.06 0.00 -2.00 0.00 0.00 55.36 53.97 1dlf s GLN 81 Cb -0.17 -3.72 -0.04 0.00 0.80 0.00 0.00 33.01 29.88 1dlf s GLN 81 CO -0.13 -0.66 0.05 -1.64 -0.50 0.00 0.00 175.29 172.41 1dlf s MET 82 N 2.97 3.78 0.25 1.67 -1.94 0.88 -0.69 119.30 126.22 1dlf s MET 82 Ca 0.33 -0.36 0.08 0.00 -1.71 0.00 0.00 55.69 54.03 1dlf s MET 82 Cb -0.14 -3.12 -0.05 0.00 2.01 0.00 0.00 34.83 33.53 1dlf s MET 82 CO 0.12 0.36 -0.12 -0.80 -0.01 0.00 0.00 175.02 174.57 1dlf s ASN 82 N 0.11 2.89 -1.41 3.03 0.01 -0.19 -1.07 114.94 118.31 1dlf s ASN 82 Ca 0.04 -1.10 -0.11 0.00 -0.71 0.00 0.00 52.86 50.99 1dlf s ASN 82 Cb -0.12 -0.19 0.01 0.00 0.41 0.00 0.00 41.25 41.36 1dlf s ASN 82 CO 0.01 -0.20 0.30 0.41 -1.51 0.00 0.00 177.10 176.11 1dlf n THR 82 N -0.52 -2.12 -1.88 1.60 -1.04 -0.90 -4.69 114.28 104.74 1dlf n THR 82 Ca -0.06 -0.56 -0.40 0.00 -2.04 0.00 0.00 64.05 60.99 1dlf n THR 82 Cb 0.62 -1.84 0.01 0.00 -1.82 0.00 0.00 70.33 67.30 1dlf n THR 82 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 1dlf s LEU 82 N -7.28 4.18 0.30 -4.42 1.43 -0.40 -4.58 118.68 107.90 1dlf s LEU 82 Ca 0.16 2.86 0.11 0.00 -1.03 0.00 0.00 54.13 56.23 1dlf s LEU 82 Cb -0.08 -3.88 -0.06 0.00 0.03 0.00 0.00 46.19 42.20 1dlf s LEU 82 CO 0.97 -1.03 -0.16 -0.13 0.23 0.00 0.00 176.35 176.23 1dlf s ARG 83 N -2.33 1.71 0.30 1.70 0.52 -1.26 -0.24 118.95 119.36 1dlf s ARG 83 Ca 0.58 -1.82 0.04 0.00 -0.52 0.00 0.00 55.73 54.01 1dlf s ARG 83 Cb -0.43 -1.71 0.65 0.00 0.52 0.00 0.00 34.95 33.98 1dlf s ARG 83 CO 0.55 0.26 1.83 0.00 0.02 0.00 0.00 175.30 177.96 1dlf h ALA 84 N 2.20 1.62 -1.00 2.13 0.00 -1.91 0.05 119.26 122.34 1dlf h ALA 84 Ca -0.41 0.03 0.26 0.00 0.00 0.00 0.00 54.91 54.80 1dlf h ALA 84 Cb 1.25 -0.17 -0.07 0.00 0.00 0.00 0.00 17.79 18.81 1dlf h ALA 84 CO 0.64 0.11 0.68 1.49 0.00 0.00 0.00 179.25 182.17 1dlf h GLU 85 N 0.89 0.24 0.00 0.00 4.81 -1.96 -1.82 114.58 116.73 1dlf h GLU 85 Ca 0.50 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.72 1dlf h GLU 85 Cb 0.61 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.94 1dlf h GLU 85 CO -0.27 0.16 0.00 -0.25 -0.73 0.00 0.00 179.01 177.92 1dlf n ASP 86 N -4.44 0.22 -4.67 1.04 8.00 0.00 -4.84 116.55 111.85 1dlf n ASP 86 Ca 0.22 0.53 -0.45 0.00 0.71 0.00 0.00 54.79 55.80 1dlf n ASP 86 Cb 0.92 -0.58 -0.03 0.00 -0.02 0.00 0.00 41.12 41.40 1dlf n ASP 86 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 1dlf n THR 87 N -1.71 0.70 -0.20 -3.53 -1.04 -0.69 -4.91 114.28 102.91 1dlf n THR 87 Ca 0.06 -0.18 0.00 0.00 -2.04 0.00 0.00 64.05 61.89 1dlf n THR 87 Cb 0.33 -1.51 0.00 0.00 -1.82 0.00 0.00 70.33 67.33 1dlf n THR 87 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1dlf n GLY 88 N 2.48 -2.84 3.66 3.41 0.00 -0.16 -4.11 105.19 107.63 1dlf n GLY 88 Ca 0.13 -1.32 -0.39 0.00 0.00 0.00 0.00 46.02 44.44 1dlf n GLY 88 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1dlf s ILE 89 N -2.05 5.14 -0.22 -0.61 1.01 -0.41 -0.99 121.20 123.06 1dlf s ILE 89 Ca 0.00 0.84 -0.09 0.00 0.00 0.00 0.00 60.65 61.41 1dlf s ILE 89 Cb 0.00 -3.80 -0.04 0.00 0.01 0.00 0.00 42.46 38.63 1dlf s ILE 89 CO 0.00 0.19 0.11 -0.31 0.00 0.00 0.00 174.94 174.93 1dlf s TYR 90 N 1.64 3.25 -0.05 3.97 1.51 0.30 -0.21 117.35 127.76 1dlf s TYR 90 Ca 0.22 0.05 0.04 0.00 -1.01 0.00 0.00 57.07 56.37 1dlf s TYR 90 Cb -0.15 -2.19 -0.02 0.00 -0.11 0.00 0.00 41.96 39.48 1dlf s TYR 90 CO 0.09 0.02 -0.15 0.71 -1.11 0.00 0.00 175.55 175.11 1dlf s TYR 91 N 0.90 2.67 -0.06 2.71 2.02 0.91 -0.95 117.35 125.55 1dlf s TYR 91 Ca 0.05 -0.21 -0.05 0.00 -0.37 0.00 0.00 57.07 56.49 1dlf s TYR 91 Cb -0.13 -1.63 -0.04 0.00 -0.40 0.00 0.00 41.96 39.76 1dlf s TYR 91 CO 0.03 0.15 0.18 0.00 -1.57 0.00 0.00 175.55 174.34 1dlf n THR 93 N 1.45 0.00 -3.90 0.00 5.66 -0.59 -1.72 114.28 115.18 1dlf n THR 93 Ca -0.15 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.85 1dlf n THR 93 Cb 0.54 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.32 1dlf n THR 93 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1dlf n GLY 94 N 0.00 -0.66 3.19 1.09 0.00 -1.26 -0.46 105.19 107.08 1dlf n GLY 94 Ca 0.00 -1.09 -0.35 0.00 0.00 0.00 0.00 46.02 44.58 1dlf n GLY 94 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1dlf s ILE 95 N -3.00 3.08 0.21 -0.61 -1.09 0.94 -4.18 121.20 116.55 1dlf s ILE 95 Ca 0.00 -1.32 -0.16 0.00 -2.23 0.00 0.00 60.65 56.94 1dlf s ILE 95 Cb 0.00 -2.75 0.06 0.00 -1.58 0.00 0.00 42.46 38.19 1dlf s ILE 95 CO 0.00 -0.09 0.79 0.00 -1.23 0.00 0.00 174.94 174.41 1dlf n TYR 96 N 4.65 -1.50 -2.67 3.97 0.18 -1.26 -3.16 117.16 117.38 1dlf n TYR 96 Ca -0.13 -1.20 0.00 0.00 1.88 0.00 0.00 57.90 58.45 1dlf n TYR 96 Cb 0.44 0.59 0.00 0.00 -0.38 0.00 0.00 39.34 39.99 1dlf n TYR 96 CO 0.00 0.00 0.00 0.98 -2.08 0.00 0.00 176.86 175.76 1dlf n TYR 97 N -0.55 0.00 1.01 -3.48 9.36 -1.26 -3.38 117.16 118.86 1dlf n TYR 97 Ca -0.03 0.00 0.12 0.00 3.32 0.00 0.00 57.90 61.31 1dlf n TYR 97 Cb 0.49 0.03 0.29 0.00 -0.63 0.00 0.00 39.34 39.51 1dlf n TYR 97 CO 0.00 0.00 0.00 0.72 0.22 0.00 0.00 176.86 177.80 1dlf n HIS 98 N 11.53 0.16 -4.01 2.98 8.25 -1.26 -4.82 115.22 128.04 1dlf n HIS 98 Ca 0.00 -0.08 -0.31 0.00 -0.26 0.00 0.00 57.72 57.07 1dlf n HIS 98 Cb 0.00 0.00 -0.16 0.00 1.12 0.00 0.00 29.99 30.95 1dlf n HIS 98 CO 0.00 0.00 0.00 0.71 0.64 0.00 0.00 176.34 177.69 1dlf s TYR 99 N -1.84 2.48 -0.08 4.41 2.02 -1.22 -5.02 117.35 118.10 1dlf s TYR 99 Ca 0.34 -1.62 -0.05 0.00 -0.37 0.00 0.00 57.07 55.37 1dlf s TYR 99 Cb 0.20 -1.68 -0.18 0.00 -0.40 0.00 0.00 41.96 39.91 1dlf s TYR 99 CO 0.30 -0.75 3.31 -0.35 -1.57 0.00 0.00 175.55 176.49 1dlf n PRO 100 N 4.67 1.98 -3.22 -1.71 -0.04 -1.26 -4.13 135.00 131.29 1dlf n PRO 100 Ca -0.15 -1.15 -0.09 0.00 -0.04 0.00 0.00 63.50 62.06 1dlf n PRO 100 Cb 0.47 -1.93 -0.00 0.00 -0.04 0.00 0.00 33.50 31.99 1dlf n PRO 100 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 1dlf n TRP 101 N 2.09 -1.52 -2.20 0.54 2.14 -1.26 -5.00 117.44 112.23 1dlf n TRP 101 Ca 0.40 -1.59 -0.40 0.00 2.07 0.00 0.00 57.50 57.98 1dlf n TRP 101 Cb 0.81 0.52 -0.02 0.00 -0.81 0.00 0.00 31.31 31.82 1dlf n TRP 101 CO 0.00 0.00 0.00 1.19 2.07 0.00 0.00 177.69 180.95 1dlf n PHE 102 N -0.41 3.85 0.07 -2.67 3.72 -1.26 -4.62 117.46 116.13 1dlf n PHE 102 Ca -0.02 -2.52 0.00 0.00 -0.05 0.00 0.00 57.45 54.85 1dlf n PHE 102 Cb 0.43 -2.55 -0.05 0.00 -0.94 0.00 0.00 39.48 36.37 1dlf n PHE 102 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1dlf h ALA 103 N 7.69 0.64 -3.30 4.37 0.00 -1.85 -3.45 119.26 123.35 1dlf h ALA 103 Ca 0.43 -0.75 -0.50 0.00 0.00 0.00 0.00 54.91 54.09 1dlf h ALA 103 Cb 0.82 0.15 -0.35 0.00 0.00 0.00 0.00 17.79 18.40 1dlf h ALA 103 CO 1.54 0.87 -0.80 0.71 0.00 0.00 0.00 179.25 181.57 1dlf s TYR 104 N -2.91 1.34 0.23 0.00 2.02 -1.26 -5.14 117.35 111.63 1dlf s TYR 104 Ca -0.01 -0.58 0.11 0.00 -0.37 0.00 0.00 57.07 56.22 1dlf s TYR 104 Cb 0.08 -1.09 -0.05 0.00 -0.40 0.00 0.00 41.96 40.51 1dlf s TYR 104 CO 0.79 -0.38 -0.14 -1.58 -1.57 0.00 0.00 175.55 172.67 1dlf s TRP 105 N 1.26 2.47 0.29 2.71 0.52 -1.26 -4.38 118.94 120.56 1dlf s TRP 105 Ca -0.04 -0.28 -0.05 0.00 0.02 0.00 0.00 56.10 55.75 1dlf s TRP 105 Cb -0.14 -1.14 0.07 0.00 -1.15 0.00 0.00 33.47 31.11 1dlf s TRP 105 CO -0.03 0.60 0.32 0.41 0.02 0.00 0.00 176.95 178.27 1dlf n GLY 106 N -0.32 -1.91 0.12 0.98 0.00 -0.70 -4.73 105.19 98.63 1dlf n GLY 106 Ca -0.08 -1.56 0.13 0.00 0.00 0.00 0.00 46.02 44.50 1dlf n GLY 106 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1dlf h GLN 107 N 0.00 0.00 0.00 1.61 4.20 -1.93 -3.47 115.11 115.53 1dlf h GLN 107 Ca -0.11 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.60 1dlf h GLN 107 Cb 0.32 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.10 1dlf h GLN 107 CO 0.07 0.00 0.00 0.41 -0.67 0.00 0.00 178.83 178.64 1dlf n GLY 108 N 0.70 -1.42 3.10 3.46 0.00 -1.26 -5.04 105.19 104.73 1dlf n GLY 108 Ca 0.04 -1.35 -0.26 0.00 0.00 0.00 0.00 46.02 44.45 1dlf n GLY 108 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1dlf s THR 109 N -2.50 1.37 -0.19 2.61 -1.32 -0.12 -4.87 115.64 110.62 1dlf s THR 109 Ca 0.00 -0.65 -0.25 0.00 -1.21 0.00 0.00 61.69 59.58 1dlf s THR 109 Cb 0.00 -1.20 -0.01 0.00 -1.51 0.00 0.00 72.50 69.77 1dlf s THR 109 CO 0.00 0.40 0.82 -0.22 -2.21 0.00 0.00 174.62 173.42 1dlf s LEU 110 N 0.31 4.15 -0.24 9.08 2.96 -1.26 -0.54 118.68 133.13 1dlf s LEU 110 Ca -0.09 1.12 -0.07 0.00 -0.22 0.00 0.00 54.13 54.87 1dlf s LEU 110 Cb -0.14 -3.21 -0.02 0.00 0.50 0.00 0.00 46.19 43.32 1dlf s LEU 110 CO 0.03 -0.43 0.04 -0.69 -1.32 0.00 0.00 176.35 173.99 1dlf s VAL 111 N 2.33 4.10 -0.25 1.68 1.01 -0.16 -1.20 120.40 127.91 1dlf s VAL 111 Ca 0.37 -0.24 -0.01 0.00 0.00 0.00 0.00 61.98 62.09 1dlf s VAL 111 Cb -0.16 -2.91 0.03 0.00 0.00 0.00 0.00 36.38 33.34 1dlf s VAL 111 CO 0.11 0.36 -0.06 -0.89 0.00 0.00 0.00 175.10 174.61 1dlf s THR 112 N 1.58 2.79 -0.33 3.92 2.01 -0.41 -0.99 115.64 124.22 1dlf s THR 112 Ca 0.06 -1.12 -0.18 0.00 0.31 0.00 0.00 61.69 60.77 1dlf s THR 112 Cb -0.15 -2.45 -0.01 0.00 0.01 0.00 0.00 72.50 69.90 1dlf s THR 112 CO 0.02 0.16 0.50 -0.69 -0.69 0.00 0.00 174.62 173.92 1dlf s VAL 113 N 1.30 5.04 -2.00 3.82 1.01 -1.26 -0.41 120.40 127.90 1dlf s VAL 113 Ca -0.01 0.44 0.18 0.00 0.00 0.00 0.00 61.98 62.58 1dlf s VAL 113 Cb -0.17 -3.92 0.51 0.00 0.00 0.00 0.00 36.38 32.80 1dlf s VAL 113 CO -0.04 -0.13 1.46 -1.54 0.00 0.00 0.00 175.10 174.84