#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 4.32 -0.17 2.53 1.01 -1.26 -5.00 120.40 121.83 1dlf s VAL 2 Ca 0.00 1.64 -0.20 0.00 0.00 0.00 0.00 61.98 63.42 1dlf s VAL 2 Cb 0.00 -4.05 -0.03 0.00 0.00 0.00 0.00 36.38 32.30 1dlf s VAL 2 CO 0.00 -0.01 0.59 -0.69 0.00 0.00 0.00 175.10 174.99 1dlf s VAL 3 N 2.30 5.07 -0.18 2.92 1.01 -1.26 -4.76 120.40 125.49 1dlf s VAL 3 Ca 0.55 1.13 -0.04 0.00 0.00 0.00 0.00 61.98 63.62 1dlf s VAL 3 Cb -0.24 -3.92 -0.02 0.00 0.00 0.00 0.00 36.38 32.20 1dlf s VAL 3 CO 0.21 0.17 -0.02 -0.04 0.00 0.00 0.00 175.10 175.42 1dlf s MET 4 N 1.53 3.62 -0.02 2.72 -1.94 -1.26 -1.39 119.30 122.55 1dlf s MET 4 Ca 0.28 -0.53 0.06 0.00 -1.71 0.00 0.00 55.69 53.79 1dlf s MET 4 Cb -0.16 -3.01 -0.01 0.00 2.01 0.00 0.00 34.83 33.66 1dlf s MET 4 CO 0.11 0.09 -0.19 0.99 -0.01 0.00 0.00 175.02 176.01 1dlf s THR 5 N 0.79 1.52 0.01 2.05 2.01 -0.33 -3.97 115.64 117.72 1dlf s THR 5 Ca -0.00 -0.81 0.06 0.00 0.31 0.00 0.00 61.69 61.25 1dlf s THR 5 Cb -0.14 -1.26 -0.03 0.00 0.01 0.00 0.00 72.50 71.07 1dlf s THR 5 CO 0.02 0.43 -0.19 -1.10 -0.69 0.00 0.00 174.62 173.09 1dlf s GLN 6 N -0.40 2.17 -0.12 4.92 -0.21 -1.26 -0.83 119.66 123.93 1dlf s GLN 6 Ca 0.06 -0.91 0.01 0.00 0.02 0.00 0.00 55.36 54.54 1dlf s GLN 6 Cb -0.08 -2.20 0.02 0.00 1.00 0.00 0.00 33.01 31.74 1dlf s GLN 6 CO -0.00 0.56 -0.14 0.99 -2.12 0.00 0.00 175.29 174.57 1dlf s THR 7 N -0.83 1.46 0.64 -0.19 2.01 -0.30 -4.28 115.64 114.14 1dlf s THR 7 Ca 0.13 -0.60 0.04 0.00 0.31 0.00 0.00 61.69 61.57 1dlf s THR 7 Cb -0.10 -1.35 0.10 0.00 0.01 0.00 0.00 72.50 71.16 1dlf s THR 7 CO 0.03 0.44 0.89 -2.16 -0.69 0.00 0.00 174.62 173.12 1dlf s PRO 8 N 1.14 2.01 0.11 4.92 0.04 -1.26 -1.53 135.00 140.43 1dlf s PRO 8 Ca -0.03 -1.32 -0.15 0.00 0.04 0.00 0.00 61.00 59.53 1dlf s PRO 8 Cb -0.14 -2.48 -0.06 0.00 0.04 0.00 0.00 34.50 31.86 1dlf s PRO 8 CO -0.04 -1.14 1.49 1.25 0.04 0.00 0.00 177.00 178.61 1dlf h LEU 9 N -0.17 0.68 -8.15 -3.56 5.85 -1.78 -3.40 115.31 104.78 1dlf h LEU 9 Ca -0.34 -0.39 -0.57 0.00 0.84 0.00 0.00 57.88 57.42 1dlf h LEU 9 Cb 1.28 -0.19 -0.33 0.00 0.37 0.00 0.00 40.66 41.79 1dlf h LEU 9 CO 0.41 0.92 -0.84 -0.44 -0.34 0.00 0.00 178.44 178.15 1dlf s SER 10 N -6.32 2.23 -0.58 1.25 0.01 -1.26 -0.35 113.70 108.68 1dlf s SER 10 Ca -0.13 -0.38 0.04 0.00 1.31 0.00 0.00 55.95 56.79 1dlf s SER 10 Cb 0.09 -0.91 0.16 0.00 0.21 0.00 0.00 66.02 65.57 1dlf s SER 10 CO 0.80 0.10 0.39 -0.22 0.41 0.00 0.00 173.24 174.72 1dlf s LEU 11 N 0.39 3.82 0.08 2.44 0.20 0.75 -4.91 118.68 121.46 1dlf s LEU 11 Ca -0.12 -3.37 -0.31 0.00 0.69 0.00 0.00 54.13 51.02 1dlf s LEU 11 Cb -0.15 -1.34 -0.06 0.00 -0.43 0.00 0.00 46.19 44.21 1dlf s LEU 11 CO 0.05 -0.15 1.20 -2.16 -0.29 0.00 0.00 176.35 174.99 1dlf s PRO 12 N -0.70 4.44 0.26 0.98 0.05 -1.26 -2.00 135.00 136.77 1dlf s PRO 12 Ca 0.24 1.79 0.02 0.00 0.05 0.00 0.00 61.00 63.10 1dlf s PRO 12 Cb -0.10 -3.33 -0.04 0.00 0.05 0.00 0.00 34.50 31.08 1dlf s PRO 12 CO -0.11 -0.24 0.18 0.14 0.05 0.00 0.00 177.00 177.02 1dlf s VAL 13 N 0.93 0.07 0.07 -0.36 -7.23 0.37 -4.84 120.40 109.41 1dlf s VAL 13 Ca 0.58 -2.00 -0.07 0.00 -1.81 0.00 0.00 61.98 58.68 1dlf s VAL 13 Cb -0.30 -2.51 -0.05 0.00 0.56 0.00 0.00 36.38 34.08 1dlf s VAL 13 CO 0.30 0.00 0.35 -0.44 -0.31 0.00 0.00 175.10 174.99 1dlf s SER 14 N -3.27 6.55 0.19 4.85 0.01 -1.26 -1.34 113.70 119.43 1dlf s SER 14 Ca 0.39 0.65 -0.33 0.00 1.31 0.00 0.00 55.95 57.97 1dlf s SER 14 Cb 0.05 -2.12 -0.14 0.00 0.21 0.00 0.00 66.02 64.02 1dlf s SER 14 CO 0.18 0.17 1.45 0.18 0.41 0.00 0.00 173.24 175.63 1dlf n LEU 15 N 0.76 2.86 0.00 2.44 4.77 -1.26 -1.37 117.00 125.20 1dlf n LEU 15 Ca -0.08 1.12 0.00 0.00 -0.03 0.00 0.00 56.01 57.02 1dlf n LEU 15 Cb 0.52 -1.39 0.00 0.00 -2.33 0.00 0.00 43.42 40.22 1dlf n LEU 15 CO 0.44 -0.52 0.00 0.61 -1.33 0.00 0.00 177.39 176.59 1dlf n GLY 16 N 2.66 2.03 3.79 -0.72 0.00 0.12 -4.92 105.19 108.15 1dlf n GLY 16 Ca 0.14 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.86 1dlf n GLY 16 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1dlf s ASN 17 N -1.81 4.64 0.06 1.61 0.02 -0.47 -4.21 114.94 114.78 1dlf s ASN 17 Ca 0.00 1.48 -0.24 0.00 -1.02 0.00 0.00 52.86 53.08 1dlf s ASN 17 Cb 0.00 -2.25 -0.06 0.00 0.02 0.00 0.00 41.25 38.96 1dlf s ASN 17 CO 0.00 -1.90 0.71 -1.58 0.02 0.00 0.00 177.10 174.36 1dlf s GLN 18 N -5.07 4.44 0.02 -0.60 0.74 -1.26 -0.75 119.66 117.18 1dlf s GLN 18 Ca 0.60 0.98 0.08 0.00 0.05 0.00 0.00 55.36 57.07 1dlf s GLN 18 Cb -0.15 -3.33 -0.02 0.00 1.10 0.00 0.00 33.01 30.61 1dlf s GLN 18 CO 0.55 0.38 -0.24 0.00 -0.55 0.00 0.00 175.29 175.43 1dlf s ALA 19 N -0.35 2.04 -0.04 1.58 0.00 0.05 -4.99 121.76 120.04 1dlf s ALA 19 Ca 0.36 -1.12 0.01 0.00 0.00 0.00 0.00 51.96 51.21 1dlf s ALA 19 Cb -0.20 -0.46 0.02 0.00 0.00 0.00 0.00 23.12 22.48 1dlf s ALA 19 CO 0.22 0.49 -0.05 0.45 0.00 0.00 0.00 175.76 176.86 1dlf s SER 20 N -0.93 0.99 -0.13 0.00 0.15 -1.26 -0.57 113.70 111.95 1dlf s SER 20 Ca 0.10 -0.14 -0.02 0.00 0.70 0.00 0.00 55.95 56.59 1dlf s SER 20 Cb -0.09 -0.47 -0.02 0.00 -1.71 0.00 0.00 66.02 63.72 1dlf s SER 20 CO 0.01 -0.04 -0.07 -0.63 1.20 0.00 0.00 173.24 173.71 1dlf s ILE 21 N 0.83 3.64 -0.10 6.45 1.01 0.13 -4.82 121.20 128.34 1dlf s ILE 21 Ca -0.12 -0.46 -0.13 0.00 0.00 0.00 0.00 60.65 59.94 1dlf s ILE 21 Cb -0.14 -2.56 -0.05 0.00 0.01 0.00 0.00 42.46 39.72 1dlf s ILE 21 CO 0.01 0.53 0.30 -0.55 0.00 0.00 0.00 174.94 175.23 1dlf s SER 22 N 0.07 6.54 -0.08 3.58 0.15 -0.58 -1.30 113.70 122.07 1dlf s SER 22 Ca -0.02 0.64 -0.01 0.00 0.70 0.00 0.00 55.95 57.27 1dlf s SER 22 Cb -0.14 -2.18 0.03 0.00 -1.71 0.00 0.00 66.02 62.01 1dlf s SER 22 CO 0.03 0.22 -0.03 0.00 1.20 0.00 0.00 173.24 174.66 1dlf s ARG 24 N 1.71 2.18 0.12 0.00 0.52 -0.01 -0.61 118.95 122.86 1dlf s ARG 24 Ca 0.02 -0.89 0.07 0.00 -0.52 0.00 0.00 55.73 54.41 1dlf s ARG 24 Cb -0.13 -2.13 -0.04 0.00 0.52 0.00 0.00 34.95 33.17 1dlf s ARG 24 CO -0.05 0.57 -0.05 -1.54 0.02 0.00 0.00 175.30 174.25 1dlf s SER 25 N -0.77 4.65 0.00 0.23 1.04 -0.09 -1.18 113.70 117.58 1dlf s SER 25 Ca 0.11 -0.34 0.30 0.00 0.48 0.00 0.00 55.95 56.51 1dlf s SER 25 Cb -0.10 -0.97 1.65 0.00 0.10 0.00 0.00 66.02 66.69 1dlf s SER 25 CO 0.00 0.16 2.10 -1.54 0.98 0.00 0.00 173.24 174.93 1dlf n SER 26 N 0.47 0.00 -3.76 7.02 3.41 -0.49 -4.80 113.62 115.46 1dlf n SER 26 Ca -0.12 -0.47 -0.13 0.00 -0.26 0.00 0.00 58.87 57.89 1dlf n SER 26 Cb 0.53 -0.17 -0.09 0.00 -0.26 0.00 0.00 64.21 64.22 1dlf n SER 26 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 175.04 173.30 1dlf s GLN 27 N -2.34 0.62 0.21 4.33 0.74 -1.26 -4.96 119.66 117.00 1dlf s GLN 27 Ca 0.36 -0.10 -0.32 0.00 0.05 0.00 0.00 55.36 55.34 1dlf s GLN 27 Cb 0.21 0.28 -0.14 0.00 1.10 0.00 0.00 33.01 34.46 1dlf s GLN 27 CO 0.42 -0.16 1.47 0.45 -0.55 0.00 0.00 175.29 176.91 1dlf n SER 27 N 1.51 2.84 -1.22 6.67 2.88 -1.26 -4.66 113.62 120.38 1dlf n SER 27 Ca -0.20 1.12 0.07 0.00 -1.33 0.00 0.00 58.87 58.53 1dlf n SER 27 Cb 0.56 -1.42 0.27 0.00 -0.75 0.00 0.00 64.21 62.87 1dlf n SER 27 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1dlf n LEU 27 N 2.63 3.56 -4.63 2.46 4.77 -0.22 -4.87 117.00 120.71 1dlf n LEU 27 Ca 0.14 -1.80 -0.43 0.00 -0.03 0.00 0.00 56.01 53.89 1dlf n LEU 27 Cb 0.30 -0.48 -0.02 0.00 -2.33 0.00 0.00 43.42 40.89 1dlf n LEU 27 CO 0.63 0.65 0.95 -0.69 -1.33 0.00 0.00 177.39 177.60 1dlf s VAL 27 N -1.68 4.48 0.76 4.08 1.01 -1.26 -3.29 120.40 124.50 1dlf s VAL 27 Ca 0.38 1.61 -0.11 0.00 0.00 0.00 0.00 61.98 63.86 1dlf s VAL 27 Cb 0.24 -4.43 0.05 0.00 0.00 0.00 0.00 36.38 32.23 1dlf s VAL 27 CO 0.20 -0.56 1.08 -2.28 0.00 0.00 0.00 175.10 173.54 1dlf s HIS 27 N 3.74 2.88 0.59 5.22 2.46 0.52 -4.91 115.29 125.80 1dlf s HIS 27 Ca 0.45 1.29 0.37 0.00 0.47 0.00 0.00 55.06 57.64 1dlf s HIS 27 Cb -0.11 -3.03 2.08 0.00 -0.13 0.00 0.00 32.58 31.39 1dlf s HIS 27 CO 0.18 -1.61 2.29 0.77 -2.47 0.00 0.00 174.74 173.89 1dlf h SER 27 N -0.98 0.00 0.00 9.88 0.02 -1.94 0.26 113.55 120.79 1dlf h SER 27 Ca -0.46 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.49 1dlf h SER 27 Cb 1.24 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.78 1dlf h SER 27 CO 0.57 0.01 0.00 -0.46 -1.14 0.00 0.00 176.83 175.82 1dlf n ASN 28 N -3.41 0.00 0.00 3.07 0.23 -1.26 -4.88 115.26 109.01 1dlf n ASN 28 Ca -0.03 -1.27 0.00 0.00 -0.53 0.00 0.00 54.58 52.75 1dlf n ASN 28 Cb 0.10 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.80 1dlf n ASN 28 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1dlf n GLY 29 N 0.76 1.68 3.93 4.83 0.00 0.93 -5.03 105.19 112.29 1dlf n GLY 29 Ca 0.15 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.92 1dlf n GLY 29 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1dlf s ASN 30 N -3.20 6.32 -0.23 1.61 0.02 -1.26 -4.76 114.94 113.44 1dlf s ASN 30 Ca 0.00 0.60 -0.01 0.00 -1.02 0.00 0.00 52.86 52.43 1dlf s ASN 30 Cb 0.00 -2.10 0.03 0.00 0.02 0.00 0.00 41.25 39.20 1dlf s ASN 30 CO 0.00 -0.33 -0.09 -0.89 0.02 0.00 0.00 177.10 175.81 1dlf s THR 31 N -2.35 2.65 -1.05 1.60 2.01 -1.26 -0.35 115.64 116.89 1dlf s THR 31 Ca 0.42 -1.06 -0.03 0.00 0.31 0.00 0.00 61.69 61.34 1dlf s THR 31 Cb -0.10 -2.32 0.31 0.00 0.01 0.00 0.00 72.50 70.40 1dlf s THR 31 CO 0.36 0.25 1.59 -1.22 -0.69 0.00 0.00 174.62 174.91 1dlf n TYR 32 N 4.63 2.44 -4.02 4.92 4.02 -1.21 -4.09 117.16 123.85 1dlf n TYR 32 Ca -0.17 -2.60 -0.35 0.00 -0.01 0.00 0.00 57.90 54.77 1dlf n TYR 32 Cb 0.47 -1.22 -0.13 0.00 -0.02 0.00 0.00 39.34 38.45 1dlf n TYR 32 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 176.86 174.68 1dlf s LEU 33 N -3.35 3.18 0.25 7.72 1.98 -1.26 -0.92 118.68 126.27 1dlf s LEU 33 Ca 0.34 -0.25 0.08 0.00 -2.89 0.00 0.00 54.13 51.41 1dlf s LEU 33 Cb 0.10 -1.81 -0.05 0.00 0.66 0.00 0.00 46.19 45.09 1dlf s LEU 33 CO 0.02 0.04 -0.11 -1.00 -1.89 0.00 0.00 176.35 173.41 1dlf s HIS 34 N 1.15 1.87 -0.02 5.38 3.76 0.36 -0.31 115.29 127.49 1dlf s HIS 34 Ca 0.03 -0.61 0.04 0.00 -0.15 0.00 0.00 55.06 54.37 1dlf s HIS 34 Cb -0.14 -0.96 -0.01 0.00 1.11 0.00 0.00 32.58 32.58 1dlf s HIS 34 CO 0.01 0.36 -0.15 -1.58 -0.85 0.00 0.00 174.74 172.53 1dlf s TRP 35 N -2.95 1.41 0.16 1.40 0.52 0.11 -0.68 118.94 118.92 1dlf s TRP 35 Ca 0.26 -0.31 0.11 0.00 0.02 0.00 0.00 56.10 56.18 1dlf s TRP 35 Cb 0.01 -0.93 -0.04 0.00 -1.15 0.00 0.00 33.47 31.36 1dlf s TRP 35 CO 0.10 -0.06 -0.24 0.71 0.02 0.00 0.00 176.95 177.48 1dlf s TYR 36 N -0.21 2.18 -0.08 -1.98 1.51 0.41 -0.34 117.35 118.86 1dlf s TYR 36 Ca 0.03 -0.39 0.05 0.00 -1.01 0.00 0.00 57.07 55.75 1dlf s TYR 36 Cb -0.08 -1.12 -0.01 0.00 -0.11 0.00 0.00 41.96 40.65 1dlf s TYR 36 CO 0.00 0.41 -0.24 -1.17 -1.11 0.00 0.00 175.55 173.44 1dlf s LEU 37 N -2.44 2.12 -0.13 -1.29 2.96 -0.00 -1.02 118.68 118.88 1dlf s LEU 37 Ca 0.17 -0.52 0.03 0.00 -0.22 0.00 0.00 54.13 53.59 1dlf s LEU 37 Cb -0.08 -1.40 0.01 0.00 0.50 0.00 0.00 46.19 45.21 1dlf s LEU 37 CO 0.08 0.21 -0.21 -1.58 -1.32 0.00 0.00 176.35 173.53 1dlf s GLN 38 N 0.05 2.85 0.32 1.98 0.74 0.32 -0.75 119.66 125.18 1dlf s GLN 38 Ca -0.10 -0.80 0.02 0.00 0.05 0.00 0.00 55.36 54.53 1dlf s GLN 38 Cb -0.16 -2.29 -0.03 0.00 1.10 0.00 0.00 33.01 31.63 1dlf s GLN 38 CO 0.06 0.01 0.50 0.15 -0.55 0.00 0.00 175.29 175.46 1dlf s LYS 39 N 0.76 3.47 0.09 1.67 -0.14 -1.26 -1.35 119.74 122.98 1dlf s LYS 39 Ca -0.09 -0.44 -0.34 0.00 -1.36 0.00 0.00 55.97 53.74 1dlf s LYS 39 Cb -0.16 -2.72 -0.13 0.00 -1.68 0.00 0.00 37.83 33.14 1dlf s LYS 39 CO 0.00 0.21 1.67 -2.30 -0.76 0.00 0.00 175.35 174.17 1dlf n PRO 40 N -1.70 2.18 -0.99 -1.68 -0.02 -1.26 -1.40 135.00 130.13 1dlf n PRO 40 Ca -0.06 0.79 0.00 0.00 -2.02 0.00 0.00 63.50 62.21 1dlf n PRO 40 Cb 0.56 -2.58 0.00 0.00 -0.02 0.00 0.00 33.50 31.46 1dlf n PRO 40 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1dlf n GLY 41 N 3.71 0.90 3.89 -1.23 0.00 -1.26 -4.99 105.19 106.22 1dlf n GLY 41 Ca 0.19 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.97 1dlf n GLY 41 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1dlf s GLN 42 N -0.03 2.37 0.46 1.61 -0.21 -0.49 -5.13 119.66 118.23 1dlf s GLN 42 Ca 0.00 -1.77 -0.15 0.00 0.02 0.00 0.00 55.36 53.45 1dlf s GLN 42 Cb 0.00 -2.24 -0.08 0.00 1.00 0.00 0.00 33.01 31.69 1dlf s GLN 42 CO 0.00 -0.41 0.90 -1.12 -2.12 0.00 0.00 175.29 172.54 1dlf s SER 43 N -4.21 6.64 0.23 5.90 0.01 -1.26 -4.66 113.70 116.35 1dlf s SER 43 Ca 0.43 1.44 -0.32 0.00 1.31 0.00 0.00 55.95 58.81 1dlf s SER 43 Cb -0.02 -2.45 -0.12 0.00 0.21 0.00 0.00 66.02 63.64 1dlf s SER 43 CO 0.25 -0.48 1.65 -2.65 0.41 0.00 0.00 173.24 172.42 1dlf n PRO 44 N -1.30 2.62 -4.71 12.44 -0.02 -1.26 -4.56 135.00 138.21 1dlf n PRO 44 Ca 0.05 0.94 -0.33 0.00 -2.02 0.00 0.00 63.50 62.14 1dlf n PRO 44 Cb 0.54 -2.75 -0.13 0.00 -0.02 0.00 0.00 33.50 31.14 1dlf n PRO 44 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 1dlf s LYS 45 N 0.53 3.10 0.18 -0.52 -0.14 0.07 -4.92 119.74 118.04 1dlf s LYS 45 Ca 0.72 -0.63 -0.31 0.00 -1.36 0.00 0.00 55.97 54.38 1dlf s LYS 45 Cb -0.54 -2.61 -0.10 0.00 -1.68 0.00 0.00 37.83 32.90 1dlf s LYS 45 CO 0.39 0.40 1.57 -1.17 -0.76 0.00 0.00 175.35 175.79 1dlf s LEU 46 N -0.13 4.37 -0.00 3.17 2.96 -1.26 -0.82 118.68 126.96 1dlf s LEU 46 Ca 0.00 2.65 -0.04 0.00 -0.22 0.00 0.00 54.13 56.52 1dlf s LEU 46 Cb -0.13 -3.60 -0.02 0.00 0.50 0.00 0.00 46.19 42.94 1dlf s LEU 46 CO 0.03 -0.83 -0.08 -0.11 -1.32 0.00 0.00 176.35 174.04 1dlf n LEU 47 N 3.79 1.02 -4.04 -0.68 7.94 0.54 -4.78 117.00 120.79 1dlf n LEU 47 Ca 0.13 0.15 -0.22 0.00 -1.11 0.00 0.00 56.01 54.96 1dlf n LEU 47 Cb 0.38 -0.35 -0.16 0.00 0.53 0.00 0.00 43.42 43.82 1dlf n LEU 47 CO 0.62 -0.37 -0.46 -0.63 -1.11 0.00 0.00 177.39 175.44 1dlf s ILE 48 N -2.19 1.00 0.10 1.96 1.01 -0.94 -1.13 121.20 121.03 1dlf s ILE 48 Ca -0.08 -0.48 0.08 0.00 0.00 0.00 0.00 60.65 60.17 1dlf s ILE 48 Cb 0.02 -0.88 -0.03 0.00 0.01 0.00 0.00 42.46 41.57 1dlf s ILE 48 CO 0.11 0.30 -0.19 -0.72 0.00 0.00 0.00 174.94 174.44 1dlf s TYR 49 N 0.18 1.69 -1.26 3.97 1.13 0.25 0.08 117.35 123.39 1dlf s TYR 49 Ca -0.04 -0.44 -0.15 0.00 -1.41 0.00 0.00 57.07 55.03 1dlf s TYR 49 Cb -0.10 -0.92 0.00 0.00 -1.10 0.00 0.00 41.96 39.85 1dlf s TYR 49 CO 0.01 0.19 0.61 1.63 -2.51 0.00 0.00 175.55 175.49 1dlf n LYS 50 N 1.01 -1.75 0.00 -3.49 5.02 -0.84 -1.16 118.16 116.95 1dlf n LYS 50 Ca -0.19 0.36 0.00 0.00 -2.02 0.00 0.00 58.31 56.46 1dlf n LYS 50 Cb 0.54 -3.97 0.00 0.00 -0.02 0.00 0.00 35.03 31.58 1dlf n LYS 50 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1dlf n VAL 51 N -4.42 0.00 -0.80 -0.18 0.31 0.57 -4.01 118.33 109.80 1dlf n VAL 51 Ca -0.18 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.15 1dlf n VAL 51 Cb 0.62 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.55 1dlf n VAL 51 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 1dlf n SER 52 N 2.60 0.01 -4.68 4.52 3.41 -1.19 -3.57 113.62 114.73 1dlf n SER 52 Ca 0.00 -0.82 -0.40 0.00 -0.26 0.00 0.00 58.87 57.39 1dlf n SER 52 Cb 0.00 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 63.90 1dlf n SER 52 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 1dlf s ASN 53 N -0.00 6.82 -0.03 4.04 0.01 -0.31 -4.61 114.94 120.87 1dlf s ASN 53 Ca 0.00 1.00 -0.30 0.00 -0.71 0.00 0.00 52.86 52.85 1dlf s ASN 53 Cb 0.00 -2.38 -0.03 0.00 0.41 0.00 0.00 41.25 39.25 1dlf s ASN 53 CO 0.00 -0.23 1.01 -0.13 -1.51 0.00 0.00 177.10 176.24 1dlf s ARG 54 N 1.55 4.50 0.94 -0.60 0.52 -1.26 -0.59 118.95 124.01 1dlf s ARG 54 Ca 0.33 1.44 -0.12 0.00 -0.52 0.00 0.00 55.73 56.87 1dlf s ARG 54 Cb -0.16 -3.48 0.15 0.00 0.52 0.00 0.00 34.95 31.98 1dlf s ARG 54 CO 0.13 -0.15 1.09 0.12 0.02 0.00 0.00 175.30 176.50 1dlf s PHE 55 N 1.35 2.12 -0.15 -0.53 5.36 -0.28 -4.89 117.98 120.95 1dlf s PHE 55 Ca 0.51 1.29 -0.40 0.00 -0.96 0.00 0.00 56.93 57.37 1dlf s PHE 55 Cb -0.21 -3.17 -0.18 0.00 -0.34 0.00 0.00 43.02 39.12 1dlf s PHE 55 CO 0.25 -2.65 1.45 0.45 -1.46 0.00 0.00 175.22 173.26 1dlf n SER 56 N -4.06 1.41 0.00 6.13 2.88 -1.26 -1.89 113.62 116.83 1dlf n SER 56 Ca 0.07 1.13 0.00 0.00 -1.33 0.00 0.00 58.87 58.74 1dlf n SER 56 Cb 0.55 -1.06 0.00 0.00 -0.75 0.00 0.00 64.21 62.95 1dlf n SER 56 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1dlf n GLY 57 N 3.05 0.87 3.66 0.46 0.00 -1.26 -5.01 105.19 106.97 1dlf n GLY 57 Ca 0.23 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.85 1dlf n GLY 57 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1dlf s VAL 58 N -3.46 4.95 0.85 1.61 1.01 -0.79 -5.04 120.40 119.52 1dlf s VAL 58 Ca 0.00 1.38 -0.10 0.00 0.00 0.00 0.00 61.98 63.26 1dlf s VAL 58 Cb 0.00 -4.03 0.10 0.00 0.00 0.00 0.00 36.38 32.45 1dlf s VAL 58 CO 0.00 0.06 1.11 -2.16 0.00 0.00 0.00 175.10 174.11 1dlf s PRO 59 N 2.13 1.61 0.00 2.72 0.04 -1.26 -4.86 135.00 135.38 1dlf s PRO 59 Ca 0.33 1.28 0.18 0.00 0.04 0.00 0.00 61.00 62.83 1dlf s PRO 59 Cb -0.16 -1.81 0.88 0.00 0.04 0.00 0.00 34.50 33.45 1dlf s PRO 59 CO 0.11 -2.13 1.57 -0.40 0.04 0.00 0.00 177.00 176.19 1dlf n ASP 60 N -3.87 0.00 0.27 6.66 5.68 -1.26 -2.38 116.55 121.65 1dlf n ASP 60 Ca 0.10 0.19 0.12 0.00 -0.50 0.00 0.00 54.79 54.69 1dlf n ASP 60 Cb 0.53 -0.36 0.75 0.00 -1.14 0.00 0.00 41.12 40.90 1dlf n ASP 60 CO 0.00 0.00 0.00 0.03 -1.33 0.00 0.00 177.20 175.90 1dlf h ARG 61 N 0.00 0.00 -5.80 0.11 3.08 -1.91 -3.40 114.38 106.46 1dlf h ARG 61 Ca 0.00 0.00 -0.59 0.00 0.07 0.00 0.00 59.98 59.46 1dlf h ARG 61 Cb 0.22 0.00 -0.08 0.00 0.08 0.00 0.00 29.97 30.19 1dlf h ARG 61 CO 0.00 0.07 0.34 -0.06 -1.07 0.00 0.00 179.97 179.25 1dlf s PHE 62 N -4.54 3.37 -0.05 3.04 0.08 -1.00 -1.00 117.98 117.89 1dlf s PHE 62 Ca -0.04 1.12 0.02 0.00 0.12 0.00 0.00 56.93 58.14 1dlf s PHE 62 Cb 0.15 -2.96 0.02 0.00 -0.57 0.00 0.00 43.02 39.65 1dlf s PHE 62 CO 0.60 -0.28 -0.07 0.45 -0.10 0.00 0.00 175.22 175.82 1dlf s SER 63 N 1.24 1.17 -0.05 1.36 0.15 -0.16 -4.98 113.70 112.44 1dlf s SER 63 Ca 0.34 -0.18 -0.01 0.00 0.70 0.00 0.00 55.95 56.81 1dlf s SER 63 Cb -0.16 -0.54 -0.03 0.00 -1.71 0.00 0.00 66.02 63.57 1dlf s SER 63 CO 0.10 -0.02 0.02 -0.83 1.20 0.00 0.00 173.24 173.71 1dlf s GLY 64 N 0.77 1.89 0.25 9.45 0.00 -1.26 -0.25 107.32 118.17 1dlf s GLY 64 Ca -0.12 -0.85 -0.00 0.00 0.00 0.00 0.00 44.72 43.74 1dlf s GLY 64 CO 0.01 -0.66 0.33 -1.14 0.00 0.00 0.00 173.10 171.64 1dlf n SER 65 N 1.78 -0.91 0.00 1.64 3.41 -0.25 -4.13 113.62 115.16 1dlf n SER 65 Ca -0.17 -2.36 0.00 0.00 -0.26 0.00 0.00 58.87 56.08 1dlf n SER 65 Cb 0.53 1.72 0.00 0.00 -0.26 0.00 0.00 64.21 66.20 1dlf n SER 65 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1dlf n GLY 66 N -0.41 0.93 3.53 5.00 0.00 -1.26 -1.17 105.19 111.80 1dlf n GLY 66 Ca 0.01 -2.17 -0.08 0.00 0.00 0.00 0.00 46.02 43.78 1dlf n GLY 66 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1dlf s SER 67 N 0.00 -0.36 0.38 1.61 1.04 -0.44 -4.96 113.70 110.98 1dlf s SER 67 Ca 0.00 -0.04 0.00 0.00 0.48 0.00 0.00 55.95 56.39 1dlf s SER 67 Cb 0.00 0.41 0.00 0.00 0.10 0.00 0.00 66.02 66.53 1dlf s SER 67 CO 0.00 -0.67 0.00 0.61 0.98 0.00 0.00 173.24 174.16 1dlf n GLY 68 N -0.28 1.29 0.00 7.32 0.00 -1.26 -1.82 105.19 110.44 1dlf n GLY 68 Ca -0.09 0.25 0.00 0.00 0.00 0.00 0.00 46.02 46.18 1dlf n GLY 68 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1dlf n THR 69 N 0.00 0.03 -3.90 2.61 -2.24 -1.26 -1.05 114.28 108.46 1dlf n THR 69 Ca 0.00 -0.48 -0.27 0.00 -2.27 0.00 0.00 64.05 61.03 1dlf n THR 69 Cb 0.00 1.06 -0.17 0.00 -2.10 0.00 0.00 70.33 69.12 1dlf n THR 69 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1dlf s ASP 70 N -0.03 2.25 0.08 3.42 -1.08 -0.76 -0.91 116.67 119.63 1dlf s ASP 70 Ca 0.00 -0.34 0.02 0.00 -0.52 0.00 0.00 52.55 51.71 1dlf s ASP 70 Cb 0.00 -0.85 -0.03 0.00 -1.46 0.00 0.00 42.92 40.58 1dlf s ASP 70 CO 0.00 -0.13 -0.08 -0.36 0.52 0.00 0.00 175.17 175.13 1dlf s PHE 71 N 1.70 0.84 -0.03 -5.34 0.08 0.22 -1.32 117.98 114.13 1dlf s PHE 71 Ca 0.05 -0.72 -0.02 0.00 0.12 0.00 0.00 56.93 56.36 1dlf s PHE 71 Cb -0.13 -0.49 0.02 0.00 -0.57 0.00 0.00 43.02 41.85 1dlf s PHE 71 CO -0.08 -0.10 0.06 -0.08 -0.10 0.00 0.00 175.22 174.92 1dlf s THR 72 N -2.63 -0.02 -0.22 0.64 -1.32 -0.32 -0.89 115.64 110.88 1dlf s THR 72 Ca 0.03 0.08 -0.06 0.00 -1.21 0.00 0.00 61.69 60.53 1dlf s THR 72 Cb -0.02 -0.11 -0.03 0.00 -1.51 0.00 0.00 72.50 70.84 1dlf s THR 72 CO -0.02 0.03 0.03 -0.22 -2.21 0.00 0.00 174.62 172.23 1dlf s LEU 73 N 0.46 3.33 -0.20 9.08 2.96 -0.42 -1.09 118.68 132.79 1dlf s LEU 73 Ca -0.04 -0.21 -0.05 0.00 -0.22 0.00 0.00 54.13 53.61 1dlf s LEU 73 Cb -0.05 -1.87 -0.03 0.00 0.50 0.00 0.00 46.19 44.75 1dlf s LEU 73 CO -0.02 0.02 0.01 -0.75 -1.32 0.00 0.00 176.35 174.30 1dlf s LYS 74 N 1.27 3.66 -0.37 1.98 2.20 0.66 -0.69 119.74 128.45 1dlf s LYS 74 Ca 0.04 -0.50 -0.05 0.00 -0.36 0.00 0.00 55.97 55.10 1dlf s LYS 74 Cb -0.15 -3.12 0.07 0.00 -1.51 0.00 0.00 37.83 33.13 1dlf s LYS 74 CO 0.02 0.02 0.14 0.42 -0.36 0.00 0.00 175.35 175.59 1dlf s ILE 75 N 0.99 3.58 0.32 5.43 1.09 0.27 -0.98 121.20 131.90 1dlf s ILE 75 Ca 0.02 -1.49 -0.24 0.00 -1.10 0.00 0.00 60.65 57.84 1dlf s ILE 75 Cb -0.14 -3.18 -0.10 0.00 -1.06 0.00 0.00 42.46 37.97 1dlf s ILE 75 CO 0.02 -0.37 0.91 -0.44 -0.10 0.00 0.00 174.94 174.95 1dlf s SER 76 N 1.66 7.22 -1.18 3.58 0.01 -0.17 -0.77 113.70 124.05 1dlf s SER 76 Ca 0.01 1.74 -0.17 0.00 1.31 0.00 0.00 55.95 58.83 1dlf s SER 76 Cb -0.21 -2.54 -0.01 0.00 0.21 0.00 0.00 66.02 63.47 1dlf s SER 76 CO -0.00 -0.10 0.74 0.54 0.41 0.00 0.00 173.24 174.83 1dlf n ARG 77 N 0.37 -1.65 -1.62 12.44 1.74 -1.07 -4.76 116.66 122.10 1dlf n ARG 77 Ca 0.02 0.45 -0.51 0.00 -0.77 0.00 0.00 57.85 57.05 1dlf n ARG 77 Cb 0.51 -4.20 -0.06 0.00 -1.02 0.00 0.00 32.46 27.69 1dlf n ARG 77 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 1dlf n VAL 78 N -4.23 0.05 -4.29 1.55 0.31 0.07 -4.54 118.33 107.25 1dlf n VAL 78 Ca -0.13 -0.01 -0.25 0.00 -0.01 0.00 0.00 64.34 63.94 1dlf n VAL 78 Cb 0.61 -1.08 -0.08 0.00 -0.91 0.00 0.00 33.84 32.37 1dlf n VAL 78 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 1dlf s GLU 79 N 0.98 2.13 0.38 5.55 2.02 -1.26 -0.71 118.70 127.79 1dlf s GLU 79 Ca 0.84 -1.82 0.05 0.00 0.02 0.00 0.00 54.97 54.07 1dlf s GLU 79 Cb -0.88 -1.92 0.76 0.00 0.10 0.00 0.00 34.13 32.19 1dlf s GLU 79 CO 0.46 0.03 2.02 0.00 0.02 0.00 0.00 175.26 177.79 1dlf h ALA 80 N 1.66 1.61 0.00 5.21 0.00 -1.99 0.45 119.26 126.20 1dlf h ALA 80 Ca -0.43 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1dlf h ALA 80 Cb 1.25 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.85 1dlf h ALA 80 CO 0.70 0.34 0.00 -0.85 0.00 0.00 0.00 179.25 179.43 1dlf n GLU 81 N -4.44 0.04 0.03 0.00 0.28 -1.26 -2.18 120.64 113.12 1dlf n GLU 81 Ca 0.04 0.38 0.12 0.00 -0.16 0.00 0.00 57.16 57.54 1dlf n GLU 81 Cb 0.08 -1.59 0.13 0.00 1.43 0.00 0.00 31.44 31.49 1dlf n GLU 81 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 1dlf n ASP 82 N -1.67 0.63 -4.77 -1.84 8.00 0.15 -4.94 116.55 112.11 1dlf n ASP 82 Ca 0.02 -0.09 -0.39 0.00 0.71 0.00 0.00 54.79 55.03 1dlf n ASP 82 Cb 0.12 0.42 0.00 0.00 -0.02 0.00 0.00 41.12 41.64 1dlf n ASP 82 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1dlf s LEU 83 N -3.85 4.16 0.00 0.64 1.43 -0.93 -4.88 118.68 115.26 1dlf s LEU 83 Ca 0.06 2.68 0.00 0.00 -1.03 0.00 0.00 54.13 55.85 1dlf s LEU 83 Cb 0.15 -3.95 0.00 0.00 0.03 0.00 0.00 46.19 42.42 1dlf s LEU 83 CO 0.75 -0.95 0.00 0.61 0.23 0.00 0.00 176.35 176.99 1dlf n GLY 84 N 0.64 -0.36 3.37 -3.19 0.00 -1.15 -4.85 105.19 99.65 1dlf n GLY 84 Ca 0.05 -1.36 -0.35 0.00 0.00 0.00 0.00 46.02 44.36 1dlf n GLY 84 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1dlf s VAL 85 N -2.89 3.59 -0.11 1.61 1.01 -0.45 -0.75 120.40 122.40 1dlf s VAL 85 Ca 0.00 -0.43 -0.14 0.00 0.00 0.00 0.00 61.98 61.41 1dlf s VAL 85 Cb 0.00 -2.62 -0.05 0.00 0.00 0.00 0.00 36.38 33.72 1dlf s VAL 85 CO 0.00 0.44 0.32 -0.31 0.00 0.00 0.00 175.10 175.55 1dlf s TYR 86 N 1.16 3.55 -0.07 5.22 1.51 0.32 -0.52 117.35 128.51 1dlf s TYR 86 Ca 0.02 0.72 0.06 0.00 -1.01 0.00 0.00 57.07 56.85 1dlf s TYR 86 Cb -0.15 -2.31 -0.01 0.00 -0.11 0.00 0.00 41.96 39.39 1dlf s TYR 86 CO -0.00 0.39 -0.25 -0.06 -1.11 0.00 0.00 175.55 174.52 1dlf s PHE 87 N -0.06 2.44 0.39 2.71 0.40 -0.19 -0.73 117.98 122.95 1dlf s PHE 87 Ca 0.19 -0.80 -0.01 0.00 -0.60 0.00 0.00 56.93 55.71 1dlf s PHE 87 Cb -0.14 -1.61 -0.03 0.00 0.51 0.00 0.00 43.02 41.75 1dlf s PHE 87 CO 0.07 -0.27 0.62 0.00 0.70 0.00 0.00 175.22 176.34 1dlf s SER 89 N -4.08 -0.61 -0.06 0.00 0.15 0.15 -0.22 113.70 109.03 1dlf s SER 89 Ca 0.43 0.92 0.03 0.00 0.70 0.00 0.00 55.95 58.02 1dlf s SER 89 Cb -0.10 0.88 -0.02 0.00 -1.71 0.00 0.00 66.02 65.07 1dlf s SER 89 CO 0.38 -0.40 -0.14 0.00 1.20 0.00 0.00 173.24 174.28 1dlf s GLN 90 N -0.47 2.66 -0.09 5.44 1.03 -0.60 -0.48 119.66 127.15 1dlf s GLN 90 Ca -0.06 -0.69 0.13 0.00 0.04 0.00 0.00 55.36 54.78 1dlf s GLN 90 Cb -0.03 -2.43 0.22 0.00 0.03 0.00 0.00 33.01 30.80 1dlf s GLN 90 CO 0.05 0.55 1.11 -1.13 -2.54 0.00 0.00 175.29 173.33 1dlf n SER 91 N 2.52 1.52 -0.05 12.60 3.41 -0.09 -2.40 113.62 131.12 1dlf n SER 91 Ca -0.17 -2.78 -0.14 0.00 -0.26 0.00 0.00 58.87 55.51 1dlf n SER 91 Cb 0.52 -0.36 -0.07 0.00 -0.26 0.00 0.00 64.21 64.04 1dlf n SER 91 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 1dlf h THR 92 N 2.52 1.35 -3.36 6.66 2.02 -1.87 -3.46 112.91 116.76 1dlf h THR 92 Ca -0.01 -1.60 -0.65 0.00 0.77 0.00 0.00 66.41 64.92 1dlf h THR 92 Cb 1.16 1.97 -0.14 0.00 -1.74 0.00 0.00 68.15 69.41 1dlf h THR 92 CO 0.00 0.49 -0.70 -1.00 0.37 0.00 0.00 175.52 174.68 1dlf s HIS 93 N -4.00 2.84 -0.19 3.16 3.76 -1.26 -4.93 115.29 114.68 1dlf s HIS 93 Ca -0.13 -0.11 -0.07 0.00 -0.15 0.00 0.00 55.06 54.60 1dlf s HIS 93 Cb 0.06 -1.46 -0.04 0.00 1.11 0.00 0.00 32.58 32.25 1dlf s HIS 93 CO 0.81 0.46 0.07 0.08 -0.85 0.00 0.00 174.74 175.31 1dlf s VAL 94 N -1.34 4.75 0.52 -0.90 1.01 -1.26 -3.24 120.40 119.94 1dlf s VAL 94 Ca 0.24 -0.04 -0.15 0.00 0.00 0.00 0.00 61.98 62.02 1dlf s VAL 94 Cb -0.11 -3.15 -0.07 0.00 0.00 0.00 0.00 36.38 33.04 1dlf s VAL 94 CO 0.16 0.44 0.98 -2.16 0.00 0.00 0.00 175.10 174.52 1dlf s PRO 95 N 0.53 3.89 0.35 2.72 0.04 -1.26 -4.98 135.00 136.29 1dlf s PRO 95 Ca 0.03 0.89 -0.29 0.00 0.04 0.00 0.00 61.00 61.68 1dlf s PRO 95 Cb -0.13 -2.15 -0.11 0.00 0.04 0.00 0.00 34.50 32.16 1dlf s PRO 95 CO 0.01 -0.29 1.37 -0.06 0.04 0.00 0.00 177.00 178.07 1dlf s PHE 96 N -2.68 2.89 0.22 0.56 0.08 -1.20 -4.71 117.98 113.13 1dlf s PHE 96 Ca 0.58 1.32 0.04 0.00 0.12 0.00 0.00 56.93 58.98 1dlf s PHE 96 Cb -0.10 -3.80 -0.05 0.00 -0.57 0.00 0.00 43.02 38.50 1dlf s PHE 96 CO 0.34 -2.27 -0.01 0.95 -0.10 0.00 0.00 175.22 174.13 1dlf s THR 97 N -1.11 1.04 0.01 0.64 -4.23 -1.01 -5.00 115.64 105.99 1dlf s THR 97 Ca 0.50 -2.04 0.04 0.00 -1.18 0.00 0.00 61.69 59.02 1dlf s THR 97 Cb -0.42 -2.29 -0.01 0.00 1.34 0.00 0.00 72.50 71.11 1dlf s THR 97 CO 0.56 -0.37 -0.12 -0.36 -0.54 0.00 0.00 174.62 173.79 1dlf s PHE 98 N -3.42 1.08 1.05 3.99 0.40 -1.26 -1.56 117.98 118.27 1dlf s PHE 98 Ca 0.27 -0.27 -0.13 0.00 -0.60 0.00 0.00 56.93 56.21 1dlf s PHE 98 Cb 0.05 -0.67 0.22 0.00 0.51 0.00 0.00 43.02 43.13 1dlf s PHE 98 CO 0.08 -0.00 1.08 0.20 0.70 0.00 0.00 175.22 177.27 1dlf s GLY 99 N -0.66 1.55 0.48 4.36 0.00 0.69 -4.49 107.32 109.25 1dlf s GLY 99 Ca 0.03 -0.35 0.24 0.00 0.00 0.00 0.00 44.72 44.64 1dlf s GLY 99 CO 0.00 0.30 1.98 1.48 0.00 0.00 0.00 173.10 176.86 1dlf h SER 100 N -2.11 0.00 -4.87 1.64 4.64 -1.89 -3.44 113.55 107.53 1dlf h SER 100 Ca -0.57 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.75 1dlf h SER 100 Cb 1.34 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.43 1dlf h SER 100 CO 0.56 0.18 0.00 0.61 -0.87 0.00 0.00 176.83 177.32 1dlf n GLY 101 N -0.46 1.57 2.67 -0.77 0.00 -1.26 -5.05 105.19 101.90 1dlf n GLY 101 Ca -0.01 -1.79 -0.22 0.00 0.00 0.00 0.00 46.02 43.99 1dlf n GLY 101 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1dlf s THR 102 N -2.76 -0.01 -0.44 2.61 2.01 0.09 -4.45 115.64 112.70 1dlf s THR 102 Ca 0.00 0.18 -0.27 0.00 0.31 0.00 0.00 61.69 61.91 1dlf s THR 102 Cb 0.00 -0.36 0.03 0.00 0.01 0.00 0.00 72.50 72.18 1dlf s THR 102 CO 0.00 0.05 1.01 -0.75 -0.69 0.00 0.00 174.62 174.24 1dlf s LYS 103 N 2.12 3.69 -0.22 4.92 2.20 0.52 -0.52 119.74 132.45 1dlf s LYS 103 Ca 0.04 0.43 -0.25 0.00 -0.36 0.00 0.00 55.97 55.83 1dlf s LYS 103 Cb -0.13 -3.89 -0.01 0.00 -1.51 0.00 0.00 37.83 32.29 1dlf s LYS 103 CO -0.05 -1.21 0.84 -1.17 -0.36 0.00 0.00 175.35 173.40 1dlf s LEU 104 N 3.95 4.11 0.04 5.43 2.96 0.07 -0.17 118.68 135.07 1dlf s LEU 104 Ca 0.42 1.11 -0.06 0.00 -0.22 0.00 0.00 54.13 55.37 1dlf s LEU 104 Cb -0.09 -3.23 -0.01 0.00 0.50 0.00 0.00 46.19 43.36 1dlf s LEU 104 CO 0.26 -0.49 0.11 -1.83 -1.32 0.00 0.00 176.35 173.09 1dlf s GLU 105 N 2.62 0.61 -0.11 1.98 -1.05 -0.85 -2.95 118.70 118.95 1dlf s GLU 105 Ca 0.37 -0.74 -0.18 0.00 -0.15 0.00 0.00 54.97 54.27 1dlf s GLU 105 Cb -0.16 0.24 -0.04 0.00 -0.44 0.00 0.00 34.13 33.73 1dlf s GLU 105 CO 0.09 -0.16 0.46 0.42 0.95 0.00 0.00 175.26 177.03 1dlf s ILE 106 N -2.64 5.19 -0.05 1.83 -1.09 -1.26 -0.48 121.20 122.70 1dlf s ILE 106 Ca -0.05 0.93 0.06 0.00 -2.23 0.00 0.00 60.65 59.36 1dlf s ILE 106 Cb -0.01 -3.80 -0.02 0.00 -1.58 0.00 0.00 42.46 37.05 1dlf s ILE 106 CO -0.05 0.34 -0.24 -1.59 -1.23 0.00 0.00 174.94 172.18 1dlf s LYS 107 N 0.54 2.42 0.00 2.79 -2.85 -0.45 -4.84 119.74 117.35 1dlf s LYS 107 Ca 0.25 -0.88 0.15 0.00 -1.00 0.00 0.00 55.97 54.50 1dlf s LYS 107 Cb -0.15 -2.17 0.12 0.00 -2.06 0.00 0.00 37.83 33.57 1dlf s LYS 107 CO 0.10 0.47 0.98 0.54 0.10 0.00 0.00 175.35 177.54