#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qfw s ILE 2 N 0.00 0.17 -0.58 5.18 -1.09 -1.26 -4.82 121.20 118.80 1qfw s ILE 2 Ca 0.00 -0.17 -0.03 0.00 -2.23 0.00 0.00 60.65 58.22 1qfw s ILE 2 Cb 0.00 -0.66 0.15 0.00 -1.58 0.00 0.00 42.46 40.38 1qfw s ILE 2 CO 0.00 -0.12 0.40 -1.61 -1.23 0.00 0.00 174.94 172.38 1qfw s GLU 3 N 2.03 2.49 -0.22 2.79 0.41 -1.26 -4.94 118.70 119.99 1qfw s GLU 3 Ca 0.02 -2.36 -0.29 0.00 -0.41 0.00 0.00 54.97 51.93 1qfw s GLU 3 Cb -0.15 -3.73 0.00 0.00 -1.78 0.00 0.00 34.13 28.47 1qfw s GLU 3 CO -0.07 -1.16 1.12 -0.51 -0.49 0.00 0.00 175.26 174.15 1qfw s LEU 4 N 0.24 4.10 -0.24 1.80 2.01 -1.26 -3.61 118.68 121.71 1qfw s LEU 4 Ca 0.15 1.44 0.00 0.00 0.01 0.00 0.00 54.13 55.73 1qfw s LEU 4 Cb -0.21 -3.54 0.07 0.00 0.01 0.00 0.00 46.19 42.52 1qfw s LEU 4 CO -0.04 -0.73 -0.02 -0.89 1.01 0.00 0.00 176.35 175.69 1qfw s THR 5 N 3.37 1.38 0.42 5.49 2.01 -0.44 -4.37 115.64 123.51 1qfw s THR 5 Ca 0.48 -1.23 -0.24 0.00 0.31 0.00 0.00 61.69 61.01 1qfw s THR 5 Cb -0.17 -1.75 -0.08 0.00 0.01 0.00 0.00 72.50 70.51 1qfw s THR 5 CO 0.10 -0.21 1.09 -1.10 -0.69 0.00 0.00 174.62 173.81 1qfw s GLN 6 N 1.44 4.02 -0.07 4.92 -0.21 -1.26 -1.49 119.66 127.02 1qfw s GLN 6 Ca -0.02 1.61 -0.01 0.00 0.02 0.00 0.00 55.36 56.95 1qfw s GLN 6 Cb -0.18 -2.49 -0.00 0.00 1.00 0.00 0.00 33.01 31.33 1qfw s GLN 6 CO -0.09 -0.29 -0.02 1.03 -2.12 0.00 0.00 175.29 173.80 1qfw h SER 7 N 2.33 0.00 -1.82 5.90 0.87 -1.38 -3.44 113.55 116.00 1qfw h SER 7 Ca -0.49 0.00 -0.57 0.00 -1.23 0.00 0.00 61.79 59.51 1qfw h SER 7 Cb 1.23 0.00 -0.09 0.00 -0.44 0.00 0.00 62.40 63.10 1qfw h SER 7 CO 0.61 0.34 1.25 -2.84 -0.53 0.00 0.00 176.83 175.66 1qfw s PRO 8 N -1.42 3.36 0.51 2.24 0.02 -1.26 -4.90 135.00 133.55 1qfw s PRO 8 Ca -0.02 -0.62 0.18 0.00 0.02 0.00 0.00 61.00 60.57 1qfw s PRO 8 Cb 0.00 -4.69 1.27 0.00 0.02 0.00 0.00 34.50 31.11 1qfw s PRO 8 CO 0.03 -2.18 2.08 -0.44 -0.33 0.00 0.00 177.00 176.16 1qfw h ASP 9 N 9.94 0.05 -1.16 2.53 3.32 -1.85 -3.37 116.42 125.88 1qfw h ASP 9 Ca -0.07 -0.00 -0.21 0.00 0.02 0.00 0.00 57.03 56.76 1qfw h ASP 9 Cb 1.03 -0.01 -0.19 0.00 0.22 0.00 0.00 39.33 40.38 1qfw h ASP 9 CO 1.34 0.03 -0.56 -1.20 -1.72 0.00 0.00 179.24 177.14 1qfw n SER 10 N -4.48 -3.04 -4.62 6.45 7.64 -1.26 -2.93 113.62 111.38 1qfw n SER 10 Ca 0.02 -2.86 -0.43 0.00 1.01 0.00 0.00 58.87 56.62 1qfw n SER 10 Cb 0.28 1.44 -0.03 0.00 -1.01 0.00 0.00 64.21 64.89 1qfw n SER 10 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 1qfw s LEU 11 N 0.71 3.84 -1.06 -3.43 2.96 -0.85 -4.93 118.68 115.93 1qfw s LEU 11 Ca 0.30 1.99 -0.09 0.00 -0.22 0.00 0.00 54.13 56.12 1qfw s LEU 11 Cb 0.01 -3.52 0.27 0.00 0.50 0.00 0.00 46.19 43.44 1qfw s LEU 11 CO -0.08 -1.51 1.04 0.00 -1.32 0.00 0.00 176.35 174.48 1qfw s ALA 12 N 6.34 4.61 0.01 5.97 0.00 -1.26 -2.87 121.76 134.56 1qfw s ALA 12 Ca 0.88 -3.78 0.08 0.00 0.00 0.00 0.00 51.96 49.14 1qfw s ALA 12 Cb -0.33 -3.48 -0.02 0.00 0.00 0.00 0.00 23.12 19.29 1qfw s ALA 12 CO 0.35 -2.20 -0.25 0.54 0.00 0.00 0.00 175.76 174.19 1qfw s VAL 13 N -1.11 2.04 0.79 0.00 0.11 -1.24 -4.97 120.40 116.01 1qfw s VAL 13 Ca 0.29 -1.23 -0.08 0.00 -2.93 0.00 0.00 61.98 58.03 1qfw s VAL 13 Cb -0.10 -1.72 0.17 0.00 -1.53 0.00 0.00 36.38 33.20 1qfw s VAL 13 CO -0.09 0.45 1.08 -1.54 -3.33 0.00 0.00 175.10 171.67 1qfw n SER 14 N 2.11 0.63 -4.63 3.54 3.41 -1.26 -3.28 113.62 114.14 1qfw n SER 14 Ca -0.16 -1.73 -0.40 0.00 -0.26 0.00 0.00 58.87 56.32 1qfw n SER 14 Cb 0.52 -0.77 0.02 0.00 -0.26 0.00 0.00 64.21 63.71 1qfw n SER 14 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1qfw n LEU 15 N 0.00 3.08 -1.62 1.04 4.77 -1.26 -2.48 117.00 120.52 1qfw n LEU 15 Ca 0.15 1.00 -0.20 0.00 -0.03 0.00 0.00 56.01 56.93 1qfw n LEU 15 Cb 0.54 -1.39 -0.08 0.00 -2.33 0.00 0.00 43.42 40.16 1qfw n LEU 15 CO 0.38 -1.42 -0.20 0.61 -1.33 0.00 0.00 177.39 175.42 1qfw n GLY 16 N 1.14 1.76 3.62 -0.72 0.00 0.15 -4.84 105.19 106.30 1qfw n GLY 16 Ca 0.10 -0.03 -0.24 0.00 0.00 0.00 0.00 46.02 45.85 1qfw n GLY 16 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1qfw s GLN 17 N -3.83 2.10 0.17 1.61 -1.52 -1.04 -4.52 119.66 112.63 1qfw s GLN 17 Ca 0.00 -1.67 -0.30 0.00 -1.95 0.00 0.00 55.36 51.45 1qfw s GLN 17 Cb 0.00 -1.97 -0.17 0.00 -0.22 0.00 0.00 33.01 30.64 1qfw s GLN 17 CO 0.00 0.20 0.60 2.89 -0.25 0.00 0.00 175.29 178.73 1qfw n ARG 18 N -0.91 0.01 -3.67 2.91 1.85 -1.25 -3.36 116.66 112.23 1qfw n ARG 18 Ca -0.05 0.00 -0.19 0.00 -1.00 0.00 0.00 57.85 56.62 1qfw n ARG 18 Cb 0.61 -1.07 -0.17 0.00 -1.05 0.00 0.00 32.46 30.78 1qfw n ARG 18 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1qfw s ALA 19 N -0.87 0.12 -0.04 2.89 0.00 -0.61 -4.88 121.76 118.37 1qfw s ALA 19 Ca 0.68 0.29 -0.02 0.00 0.00 0.00 0.00 51.96 52.91 1qfw s ALA 19 Cb -0.97 -0.65 0.03 0.00 0.00 0.00 0.00 23.12 21.53 1qfw s ALA 19 CO 0.56 -0.49 0.08 0.95 0.00 0.00 0.00 175.76 176.86 1qfw s THR 20 N 2.15 -0.09 -0.42 0.00 -4.23 -1.26 -1.70 115.64 110.08 1qfw s THR 20 Ca 0.04 0.26 0.07 0.00 -1.18 0.00 0.00 61.69 60.88 1qfw s THR 20 Cb -0.12 -0.16 0.23 0.00 1.34 0.00 0.00 72.50 73.78 1qfw s THR 20 CO -0.04 0.11 0.56 2.30 -0.54 0.00 0.00 174.62 177.02 1qfw n ILE 21 N 4.52 -0.63 -0.75 2.99 -5.35 -1.26 -4.84 119.36 114.05 1qfw n ILE 21 Ca -0.21 -3.21 -0.32 0.00 -0.27 0.00 0.00 62.75 58.75 1qfw n ILE 21 Cb 0.50 -1.04 0.14 0.00 -1.74 0.00 0.00 39.64 37.50 1qfw n ILE 21 CO 0.00 0.00 0.00 -1.20 -1.76 0.00 0.00 176.55 173.59 1qfw n SER 22 N 1.87 -1.10 -3.48 7.28 7.64 -1.26 -4.14 113.62 120.43 1qfw n SER 22 Ca 0.20 0.37 -0.09 0.00 1.01 0.00 0.00 58.87 60.36 1qfw n SER 22 Cb 0.54 -1.32 -0.09 0.00 -1.01 0.00 0.00 64.21 62.33 1qfw n SER 22 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1qfw s ARG 24 N 2.57 3.46 0.10 0.00 3.00 -0.55 -2.78 118.95 124.74 1qfw s ARG 24 Ca 0.07 -0.54 0.09 0.00 0.00 0.00 0.00 55.73 55.35 1qfw s ARG 24 Cb -0.14 -2.78 -0.03 0.00 0.00 0.00 0.00 34.95 32.00 1qfw s ARG 24 CO -0.14 0.29 -0.23 0.00 0.00 0.00 0.00 175.30 175.22 1qfw s ALA 25 N -2.14 1.97 -0.90 2.13 0.00 0.32 -1.32 121.76 121.82 1qfw s ALA 25 Ca 0.37 -1.29 -0.26 0.00 0.00 0.00 0.00 51.96 50.79 1qfw s ALA 25 Cb -0.09 -0.30 -0.14 0.00 0.00 0.00 0.00 23.12 22.59 1qfw s ALA 25 CO 0.32 0.42 2.23 0.45 0.00 0.00 0.00 175.76 179.18 1qfw s SER 26 N -1.84 4.10 0.00 0.00 0.15 -1.24 -4.84 113.70 110.04 1qfw s SER 26 Ca 0.09 -0.43 0.00 0.00 0.70 0.00 0.00 55.95 56.31 1qfw s SER 26 Cb -0.10 -2.56 0.00 0.00 -1.71 0.00 0.00 66.02 61.65 1qfw s SER 26 CO 0.04 -3.81 0.00 -0.62 1.20 0.00 0.00 173.24 170.05 1qfw n GLU 27 N 8.65 0.00 -1.83 5.44 -0.58 -1.26 -4.96 120.64 126.10 1qfw n GLU 27 Ca 0.44 0.00 -0.02 0.00 -0.42 0.00 0.00 57.16 57.17 1qfw n GLU 27 Cb 0.45 0.00 -0.00 0.00 -0.57 0.00 0.00 31.44 31.32 1qfw n GLU 27 CO 0.00 0.00 0.00 -0.40 -0.48 0.00 0.00 177.13 176.25 1qfw n ASP 30 N 0.00 1.46 -4.70 1.62 5.75 -1.26 -5.63 116.55 113.80 1qfw n ASP 30 Ca 0.00 -1.12 -0.42 0.00 -0.01 0.00 0.00 54.79 53.24 1qfw n ASP 30 Cb 0.00 0.01 -0.03 0.00 -1.03 0.00 0.00 41.12 40.07 1qfw n ASP 30 CO 0.00 0.00 0.00 -1.54 -0.11 0.00 0.00 177.20 175.55 1qfw n SER 31 N -1.63 4.05 -3.30 -1.12 3.41 -1.26 -5.03 113.62 108.74 1qfw n SER 31 Ca -0.01 1.00 0.03 0.00 -0.26 0.00 0.00 58.87 59.64 1qfw n SER 31 Cb 0.04 -1.56 -0.03 0.00 -0.26 0.00 0.00 64.21 62.40 1qfw n SER 31 CO 0.00 0.00 0.00 -0.31 -0.16 0.00 0.00 175.04 174.57 1qfw s TYR 32 N 2.34 -0.72 0.32 7.33 2.02 -1.26 -5.18 117.35 122.21 1qfw s TYR 32 Ca 0.80 1.04 0.00 0.00 -0.37 0.00 0.00 57.07 58.54 1qfw s TYR 32 Cb -0.48 0.35 0.00 0.00 -0.40 0.00 0.00 41.96 41.43 1qfw s TYR 32 CO 0.36 -0.37 0.00 0.41 -1.57 0.00 0.00 175.55 174.38 1qfw n GLY 33 N 5.16 -1.72 3.95 0.71 0.00 -1.26 -4.91 105.19 107.12 1qfw n GLY 33 Ca -0.08 -0.76 -0.23 0.00 0.00 0.00 0.00 46.02 44.96 1qfw n GLY 33 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1qfw s ASN 34 N -5.80 5.50 -0.10 1.61 0.02 -1.26 -4.87 114.94 110.04 1qfw s ASN 34 Ca 0.00 0.24 -0.30 0.00 -1.02 0.00 0.00 52.86 51.78 1qfw s ASN 34 Cb 0.00 -1.26 0.11 0.00 0.02 0.00 0.00 41.25 40.12 1qfw s ASN 34 CO 0.00 -1.00 0.90 -0.94 0.02 0.00 0.00 177.10 176.08 1qfw s SER 35 N -4.33 -0.43 -0.03 -1.22 1.04 -1.26 -1.08 113.70 106.38 1qfw s SER 35 Ca 0.54 0.37 0.02 0.00 0.48 0.00 0.00 55.95 57.35 1qfw s SER 35 Cb -0.10 0.37 0.01 0.00 0.10 0.00 0.00 66.02 66.40 1qfw s SER 35 CO 0.40 -0.47 -0.07 -0.36 0.98 0.00 0.00 173.24 173.72 1qfw s PHE 36 N -1.61 0.86 0.64 5.02 0.08 -0.58 -4.98 117.98 117.42 1qfw s PHE 36 Ca -0.02 -0.23 -0.09 0.00 0.12 0.00 0.00 56.93 56.70 1qfw s PHE 36 Cb -0.00 -0.67 0.00 0.00 -0.57 0.00 0.00 43.02 41.78 1qfw s PHE 36 CO 0.01 -0.14 1.01 1.41 -0.10 0.00 0.00 175.22 177.40 1qfw s MET 37 N 0.51 3.05 -0.15 0.44 1.75 -1.26 -1.18 119.30 122.45 1qfw s MET 37 Ca -0.07 0.36 -0.15 0.00 -1.25 0.00 0.00 55.69 54.58 1qfw s MET 37 Cb -0.11 -2.13 0.04 0.00 2.84 0.00 0.00 34.83 35.47 1qfw s MET 37 CO 0.01 -0.80 0.42 -0.65 -0.65 0.00 0.00 175.02 173.34 1qfw s GLN 38 N -5.18 0.51 -0.19 4.11 -1.52 0.13 -2.84 119.66 114.67 1qfw s GLN 38 Ca 0.56 0.53 0.00 0.00 -1.95 0.00 0.00 55.36 54.50 1qfw s GLN 38 Cb -0.11 0.25 0.02 0.00 -0.22 0.00 0.00 33.01 32.94 1qfw s GLN 38 CO 0.50 -0.07 -0.16 -1.58 -0.25 0.00 0.00 175.29 173.73 1qfw s TRP 39 N 0.11 2.85 0.08 0.91 0.52 -1.20 0.39 118.94 122.60 1qfw s TRP 39 Ca -0.01 -1.53 0.06 0.00 0.02 0.00 0.00 56.10 54.64 1qfw s TRP 39 Cb -0.03 -1.96 -0.04 0.00 -1.15 0.00 0.00 33.47 30.29 1qfw s TRP 39 CO 0.01 -0.76 -0.10 0.71 0.02 0.00 0.00 176.95 176.83 1qfw s TYR 40 N 1.32 2.75 -0.29 -1.98 1.51 0.67 0.29 117.35 121.62 1qfw s TYR 40 Ca 0.04 -0.15 0.03 0.00 -1.01 0.00 0.00 57.07 55.99 1qfw s TYR 40 Cb -0.14 -1.47 0.07 0.00 -0.11 0.00 0.00 41.96 40.31 1qfw s TYR 40 CO -0.10 0.39 -0.06 -1.14 -1.11 0.00 0.00 175.55 173.53 1qfw s GLN 41 N -1.96 2.02 0.03 -0.62 0.74 -0.13 -0.81 119.66 118.93 1qfw s GLN 41 Ca 0.20 -1.51 0.05 0.00 0.05 0.00 0.00 55.36 54.15 1qfw s GLN 41 Cb -0.11 -3.00 -0.03 0.00 1.10 0.00 0.00 33.01 30.97 1qfw s GLN 41 CO 0.11 -0.69 -0.09 -1.14 -0.55 0.00 0.00 175.29 172.94 1qfw s GLN 42 N 1.05 2.38 0.14 1.67 0.74 -1.11 -0.39 119.66 124.14 1qfw s GLN 42 Ca -0.03 -0.84 0.05 0.00 0.05 0.00 0.00 55.36 54.59 1qfw s GLN 42 Cb -0.20 -2.40 -0.04 0.00 1.10 0.00 0.00 33.01 31.47 1qfw s GLN 42 CO -0.06 0.57 -0.11 0.15 -0.55 0.00 0.00 175.29 175.29 1qfw s LYS 43 N -1.61 1.05 -0.20 1.67 3.01 -1.20 -2.73 119.74 119.72 1qfw s LYS 43 Ca 0.18 -1.38 -0.31 0.00 -1.01 0.00 0.00 55.97 53.44 1qfw s LYS 43 Cb -0.11 -0.70 -0.08 0.00 -1.01 0.00 0.00 37.83 35.93 1qfw s LYS 43 CO 0.09 0.10 2.13 -0.35 0.51 0.00 0.00 175.35 177.83 1qfw n PRO 44 N 0.02 1.87 0.00 -1.68 -0.04 -1.26 -2.27 135.00 131.64 1qfw n PRO 44 Ca -0.12 0.57 0.00 0.00 -0.04 0.00 0.00 63.50 63.91 1qfw n PRO 44 Cb 0.60 -2.92 0.00 0.00 -0.04 0.00 0.00 33.50 31.14 1qfw n PRO 44 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1qfw n GLY 45 N 5.61 2.97 3.87 0.55 0.00 -1.26 -5.06 105.19 111.85 1qfw n GLY 45 Ca 0.31 -0.80 -0.34 0.00 0.00 0.00 0.00 46.02 45.18 1qfw n GLY 45 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1qfw s GLN 46 N 0.00 3.81 0.78 1.61 -0.21 -0.96 -5.09 119.66 119.60 1qfw s GLN 46 Ca 0.00 0.25 -0.14 0.00 0.02 0.00 0.00 55.36 55.50 1qfw s GLN 46 Cb 0.00 -2.90 0.07 0.00 1.00 0.00 0.00 33.01 31.18 1qfw s GLN 46 CO 0.00 0.48 1.19 -2.14 -2.12 0.00 0.00 175.29 172.71 1qfw s PRO 47 N -2.16 1.82 1.10 2.91 0.02 -1.26 -3.25 135.00 134.17 1qfw s PRO 47 Ca 0.38 1.71 -0.16 0.00 0.02 0.00 0.00 61.00 62.94 1qfw s PRO 47 Cb -0.14 -1.80 0.13 0.00 0.02 0.00 0.00 34.50 32.72 1qfw s PRO 47 CO 0.20 -2.07 0.32 -0.35 -0.33 0.00 0.00 177.00 174.77 1qfw n PRO 48 N -3.16 -1.51 -3.48 5.54 -0.04 -1.26 -4.58 135.00 126.51 1qfw n PRO 48 Ca 0.13 -0.41 -0.19 0.00 -0.04 0.00 0.00 63.50 62.98 1qfw n PRO 48 Cb 0.51 -1.85 -0.12 0.00 -0.04 0.00 0.00 33.50 32.00 1qfw n PRO 48 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 1qfw s LYS 49 N -3.71 0.22 -0.12 0.54 2.20 0.48 -4.89 119.74 114.46 1qfw s LYS 49 Ca 0.59 0.04 -0.35 0.00 -0.36 0.00 0.00 55.97 55.89 1qfw s LYS 49 Cb -0.17 -1.09 -0.12 0.00 -1.51 0.00 0.00 37.83 34.95 1qfw s LYS 49 CO 0.66 -0.78 1.89 -0.11 -0.36 0.00 0.00 175.35 176.64 1qfw n LEU 50 N 5.31 3.34 -0.02 5.43 7.94 -1.26 -0.96 117.00 136.78 1qfw n LEU 50 Ca -0.05 0.95 -0.00 0.00 -1.11 0.00 0.00 56.01 55.80 1qfw n LEU 50 Cb 0.48 -1.35 -0.00 0.00 0.53 0.00 0.00 43.42 43.08 1qfw n LEU 50 CO 0.06 -0.10 -0.03 -0.07 -1.11 0.00 0.00 177.39 176.14 1qfw h LEU 51 N 9.28 0.00 -8.05 -1.96 3.38 -0.50 -3.45 115.31 114.01 1qfw h LEU 51 Ca -0.48 0.00 -0.46 0.00 0.09 0.00 0.00 57.88 57.04 1qfw h LEU 51 Cb 1.28 0.00 -0.31 0.00 0.09 0.00 0.00 40.66 41.72 1qfw h LEU 51 CO 0.95 0.20 -0.80 0.27 0.09 0.00 0.00 178.44 179.16 1qfw s ILE 52 N -1.26 0.93 0.37 1.22 -0.00 -1.18 -2.09 121.20 119.20 1qfw s ILE 52 Ca -0.01 -0.45 -0.00 0.00 -0.00 0.00 0.00 60.65 60.18 1qfw s ILE 52 Cb 0.00 -0.81 -0.03 0.00 -0.00 0.00 0.00 42.46 41.62 1qfw s ILE 52 CO 0.02 0.28 0.59 -0.72 -0.00 0.00 0.00 174.94 175.11 1qfw s TYR 53 N 0.09 3.48 0.00 1.37 1.13 0.25 -3.23 117.35 120.44 1qfw s TYR 53 Ca -0.02 0.39 0.00 0.00 -1.41 0.00 0.00 57.07 56.03 1qfw s TYR 53 Cb -0.08 -1.99 0.00 0.00 -1.10 0.00 0.00 41.96 38.79 1qfw s TYR 53 CO 0.01 0.02 0.00 0.54 -2.51 0.00 0.00 175.55 173.61 1qfw n ARG 54 N -1.88 0.00 0.01 -3.49 1.74 -1.13 -1.86 116.66 110.05 1qfw n ARG 54 Ca -0.03 0.00 -0.22 0.00 -0.77 0.00 0.00 57.85 56.83 1qfw n ARG 54 Cb 0.56 0.00 -0.14 0.00 -1.02 0.00 0.00 32.46 31.86 1qfw n ARG 54 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1qfw h ALA 55 N -0.75 0.23 0.00 7.54 0.00 -1.88 -3.36 119.26 121.04 1qfw h ALA 55 Ca 0.00 -1.17 0.00 0.00 0.00 0.00 0.00 54.91 53.74 1qfw h ALA 55 Cb 0.00 0.54 0.00 0.00 0.00 0.00 0.00 17.79 18.33 1qfw h ALA 55 CO 0.00 0.94 -0.68 0.45 0.00 0.00 0.00 179.25 179.96 1qfw n SER 56 N -3.83 3.40 -4.79 0.00 2.88 -1.22 -3.94 113.62 106.12 1qfw n SER 56 Ca -0.27 -0.00 -0.33 0.00 -1.33 0.00 0.00 58.87 56.94 1qfw n SER 56 Cb 0.94 0.68 0.02 0.00 -0.75 0.00 0.00 64.21 65.10 1qfw n SER 56 CO 0.00 0.00 0.00 0.20 -1.23 0.00 0.00 175.04 174.01 1qfw s ASN 57 N -1.36 5.52 0.18 -3.46 0.02 -0.77 -4.35 114.94 110.72 1qfw s ASN 57 Ca 0.00 1.89 0.05 0.00 -1.02 0.00 0.00 52.86 53.78 1qfw s ASN 57 Cb 0.00 -2.54 -0.05 0.00 0.02 0.00 0.00 41.25 38.68 1qfw s ASN 57 CO 0.00 -1.35 -0.08 -1.48 0.02 0.00 0.00 177.10 174.21 1qfw s LEU 58 N -4.65 2.45 0.76 0.60 0.05 -1.26 0.86 118.68 117.50 1qfw s LEU 58 Ca 0.65 -1.07 -0.11 0.00 0.05 0.00 0.00 54.13 53.65 1qfw s LEU 58 Cb -0.18 -0.40 0.05 0.00 -2.05 0.00 0.00 46.19 43.61 1qfw s LEU 58 CO 0.39 -0.34 1.08 -1.61 -0.55 0.00 0.00 176.35 175.31 1qfw s GLU 59 N -3.75 2.37 0.00 1.48 0.41 -0.89 -4.74 118.70 113.57 1qfw s GLU 59 Ca 0.21 0.84 -0.24 0.00 -0.41 0.00 0.00 54.97 55.37 1qfw s GLU 59 Cb 0.03 -1.93 -0.05 0.00 -1.78 0.00 0.00 34.13 30.40 1qfw s GLU 59 CO 0.04 -1.47 0.75 -1.12 -0.49 0.00 0.00 175.26 172.96 1qfw s SER 60 N -3.76 7.13 0.00 -0.19 0.01 -1.26 -3.30 113.70 112.34 1qfw s SER 60 Ca 0.60 1.36 0.00 0.00 1.31 0.00 0.00 55.95 59.22 1qfw s SER 60 Cb -0.15 -2.45 0.00 0.00 0.21 0.00 0.00 66.02 63.63 1qfw s SER 60 CO 0.55 -0.04 0.00 0.61 0.41 0.00 0.00 173.24 174.77 1qfw n GLY 61 N 2.66 1.76 3.83 3.44 0.00 -1.26 -5.07 105.19 110.55 1qfw n GLY 61 Ca -0.02 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.64 1qfw n GLY 61 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1qfw s ILE 62 N -2.36 5.35 1.13 -0.61 1.09 -1.21 -5.10 121.20 119.50 1qfw s ILE 62 Ca 0.00 0.16 -0.16 0.00 -1.10 0.00 0.00 60.65 59.54 1qfw s ILE 62 Cb 0.00 -3.35 0.21 0.00 -1.06 0.00 0.00 42.46 38.26 1qfw s ILE 62 CO 0.00 0.58 0.40 -0.81 -0.10 0.00 0.00 174.94 175.01 1qfw n PRO 63 N 2.34 -2.71 0.09 2.79 -0.04 -1.26 -4.88 135.00 131.32 1qfw n PRO 63 Ca -0.19 -0.80 -0.07 0.00 -0.04 0.00 0.00 63.50 62.41 1qfw n PRO 63 Cb 0.54 -1.62 0.04 0.00 -0.04 0.00 0.00 33.50 32.42 1qfw n PRO 63 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1qfw h ALA 64 N -2.79 0.66 -3.00 0.55 0.00 -1.99 -3.38 119.26 109.31 1qfw h ALA 64 Ca -0.34 -0.66 0.00 0.00 0.00 0.00 0.00 54.91 53.91 1qfw h ALA 64 Cb 0.99 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.70 1qfw h ALA 64 CO 0.22 0.87 0.00 2.89 0.00 0.00 0.00 179.25 183.22 1qfw n ARG 65 N -3.72 0.00 -1.33 0.00 -4.01 -1.26 -4.68 116.66 101.66 1qfw n ARG 65 Ca -0.03 0.28 -0.53 0.00 -1.04 0.00 0.00 57.85 56.53 1qfw n ARG 65 Cb 0.74 -0.96 -0.08 0.00 -3.04 0.00 0.00 32.46 29.12 1qfw n ARG 65 CO 0.00 0.00 0.00 1.19 -3.04 0.00 0.00 177.63 175.78 1qfw n PHE 66 N -0.74 1.33 -3.93 2.89 3.72 -1.26 -4.71 117.46 114.75 1qfw n PHE 66 Ca 0.00 0.87 -0.09 0.00 -0.05 0.00 0.00 57.45 58.18 1qfw n PHE 66 Cb 0.00 -1.78 -0.09 0.00 -0.94 0.00 0.00 39.48 36.68 1qfw n PHE 66 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 176.76 175.59 1qfw s SER 67 N 2.72 0.21 0.11 4.37 0.01 -1.01 -4.96 113.70 115.15 1qfw s SER 67 Ca 0.85 -0.65 0.03 0.00 1.31 0.00 0.00 55.95 57.49 1qfw s SER 67 Cb -1.19 0.26 -0.04 0.00 0.21 0.00 0.00 66.02 65.26 1qfw s SER 67 CO 0.63 -0.60 -0.08 -0.83 0.41 0.00 0.00 173.24 172.77 1qfw s GLY 68 N -2.51 0.85 -0.24 3.44 0.00 -1.26 0.18 107.32 107.79 1qfw s GLY 68 Ca 0.00 -1.35 -0.13 0.00 0.00 0.00 0.00 44.72 43.24 1qfw s GLY 68 CO -0.08 -1.45 0.59 -1.08 0.00 0.00 0.00 173.10 171.09 1qfw s THR 69 N -3.32 -0.04 0.00 0.90 -1.32 -0.67 -4.43 115.64 106.76 1qfw s THR 69 Ca 0.12 0.03 0.00 0.00 -1.21 0.00 0.00 61.69 60.63 1qfw s THR 69 Cb 0.03 -0.87 0.00 0.00 -1.51 0.00 0.00 72.50 70.15 1qfw s THR 69 CO -0.03 0.01 0.00 0.61 -2.21 0.00 0.00 174.62 173.01 1qfw n GLY 70 N 4.35 1.31 1.56 6.08 0.00 -1.26 -2.33 105.19 114.89 1qfw n GLY 70 Ca -0.21 -1.01 0.00 0.00 0.00 0.00 0.00 46.02 44.80 1qfw n GLY 70 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1qfw n SER 71 N 0.00 0.00 0.00 1.61 2.88 -1.26 -4.93 113.62 111.91 1qfw n SER 71 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1qfw n SER 71 Cb 0.00 0.01 0.00 0.00 -0.75 0.00 0.00 64.21 63.47 1qfw n SER 71 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1qfw n ARG 72 N -2.28 0.00 -0.09 -1.46 5.12 -1.26 -5.01 116.66 111.68 1qfw n ARG 72 Ca 0.00 0.00 -0.11 0.00 -1.93 0.00 0.00 57.85 55.81 1qfw n ARG 72 Cb 0.00 -0.05 -0.10 0.00 -1.16 0.00 0.00 32.46 31.15 1qfw n ARG 72 CO 0.00 0.00 0.00 -2.37 -1.93 0.00 0.00 177.63 173.33 1qfw n THR 73 N -1.49 1.07 -3.83 0.55 5.66 -1.26 -4.83 114.28 110.14 1qfw n THR 73 Ca 0.00 -0.52 -0.34 0.00 -3.05 0.00 0.00 64.05 60.13 1qfw n THR 73 Cb 0.00 -0.91 -0.12 0.00 -1.55 0.00 0.00 70.33 67.75 1qfw n THR 73 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 1qfw s ASP 74 N -5.38 5.00 -0.12 1.09 2.15 -1.26 -0.52 116.67 117.62 1qfw s ASP 74 Ca -0.17 -2.49 -0.01 0.00 0.43 0.00 0.00 52.55 50.31 1qfw s ASP 74 Cb 0.06 -1.77 -0.02 0.00 -0.30 0.00 0.00 42.92 40.89 1qfw s ASP 74 CO 0.53 -0.41 -0.10 -0.36 -0.17 0.00 0.00 175.17 174.66 1qfw s PHE 75 N 0.47 2.88 0.14 -5.34 0.40 -1.12 -4.65 117.98 110.75 1qfw s PHE 75 Ca 0.13 -0.43 0.09 0.00 -0.60 0.00 0.00 56.93 56.12 1qfw s PHE 75 Cb -0.22 -1.85 -0.04 0.00 0.51 0.00 0.00 43.02 41.42 1qfw s PHE 75 CO -0.04 -0.07 -0.14 0.99 0.70 0.00 0.00 175.22 176.67 1qfw s THR 76 N 0.14 3.06 -0.62 0.64 2.01 -0.99 -2.60 115.64 117.30 1qfw s THR 76 Ca -0.05 -1.52 -0.09 0.00 0.31 0.00 0.00 61.69 60.35 1qfw s THR 76 Cb -0.14 -2.45 0.16 0.00 0.01 0.00 0.00 72.50 70.07 1qfw s THR 76 CO 0.04 0.02 0.49 -0.22 -0.69 0.00 0.00 174.62 174.26 1qfw s LEU 77 N -2.41 5.84 0.16 4.42 0.20 -1.26 -1.67 118.68 123.97 1qfw s LEU 77 Ca 0.21 -2.42 -0.16 0.00 0.69 0.00 0.00 54.13 52.45 1qfw s LEU 77 Cb -0.10 -2.02 -0.07 0.00 -0.43 0.00 0.00 46.19 43.57 1qfw s LEU 77 CO 0.13 -0.56 0.60 0.28 -0.29 0.00 0.00 176.35 176.51 1qfw s THR 78 N 0.59 4.76 -0.14 3.68 -1.32 0.13 -4.04 115.64 119.29 1qfw s THR 78 Ca 0.13 0.99 -0.01 0.00 -1.21 0.00 0.00 61.69 61.59 1qfw s THR 78 Cb -0.20 -3.78 0.04 0.00 -1.51 0.00 0.00 72.50 67.05 1qfw s THR 78 CO -0.04 0.26 -0.02 -0.63 -2.21 0.00 0.00 174.62 171.98 1qfw s ILE 79 N -1.45 0.79 0.01 5.08 1.01 -0.69 -2.41 121.20 123.53 1qfw s ILE 79 Ca 0.39 -0.38 -0.12 0.00 0.00 0.00 0.00 60.65 60.54 1qfw s ILE 79 Cb -0.16 -1.01 -0.06 0.00 0.01 0.00 0.00 42.46 41.24 1qfw s ILE 79 CO 0.20 0.12 0.92 0.78 0.00 0.00 0.00 174.94 176.95 1qfw h ASN 80 N 8.21 -0.36 -3.25 3.58 2.35 -1.84 -1.61 115.58 122.65 1qfw h ASN 80 Ca -0.22 0.01 -0.73 0.00 -0.55 0.00 0.00 56.30 54.81 1qfw h ASN 80 Cb 1.12 0.09 -0.28 0.00 0.05 0.00 0.00 38.32 39.30 1qfw h ASN 80 CO 0.35 -0.20 -0.36 -2.16 -1.65 0.00 0.00 177.43 173.41 1qfw s PRO 81 N -3.47 2.59 -0.07 0.81 0.05 -1.26 -3.76 135.00 129.90 1qfw s PRO 81 Ca -0.06 -1.75 -0.30 0.00 0.05 0.00 0.00 61.00 58.94 1qfw s PRO 81 Cb 0.01 -4.01 -0.04 0.00 0.05 0.00 0.00 34.50 30.51 1qfw s PRO 81 CO 0.19 -1.22 1.31 0.08 0.05 0.00 0.00 177.00 177.40 1qfw s VAL 82 N 1.41 4.05 0.51 -0.36 1.01 -1.21 -4.73 120.40 121.08 1qfw s VAL 82 Ca 0.05 1.36 0.02 0.00 0.00 0.00 0.00 61.98 63.41 1qfw s VAL 82 Cb -0.27 -3.88 -0.01 0.00 0.00 0.00 0.00 36.38 32.22 1qfw s VAL 82 CO 0.00 -0.04 0.04 -1.61 0.00 0.00 0.00 175.10 173.49 1qfw s GLU 83 N 2.74 2.19 0.37 2.72 2.02 -1.26 0.31 118.70 127.79 1qfw s GLU 83 Ca 0.59 -2.35 0.09 0.00 0.02 0.00 0.00 54.97 53.32 1qfw s GLU 83 Cb -0.26 -1.60 0.73 0.00 0.10 0.00 0.00 34.13 33.10 1qfw s GLU 83 CO 0.22 -0.37 1.89 0.00 0.02 0.00 0.00 175.26 177.01 1qfw h ALA 84 N 1.31 1.45 0.00 5.21 0.00 -2.00 -3.02 119.26 122.21 1qfw h ALA 84 Ca -0.43 -0.23 -0.16 0.00 0.00 0.00 0.00 54.91 54.09 1qfw h ALA 84 Cb 1.31 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.99 1qfw h ALA 84 CO 0.73 0.39 -0.76 0.22 0.00 0.00 0.00 179.25 179.82 1qfw h ASP 85 N 0.24 0.00 -0.09 0.00 1.82 -2.01 -3.26 116.42 113.13 1qfw h ASP 85 Ca 0.05 0.00 -0.06 0.00 -0.39 0.00 0.00 57.03 56.63 1qfw h ASP 85 Cb 0.42 0.00 -0.03 0.00 0.68 0.00 0.00 39.33 40.40 1qfw h ASP 85 CO 0.03 0.76 0.08 0.47 -1.61 0.00 0.00 179.24 178.97 1qfw n ASP 86 N -3.59 5.21 -4.46 2.28 8.00 -1.14 -4.86 116.55 118.00 1qfw n ASP 86 Ca -0.01 -2.48 -0.43 0.00 0.71 0.00 0.00 54.79 52.58 1qfw n ASP 86 Cb 0.75 -1.03 -0.03 0.00 -0.02 0.00 0.00 41.12 40.78 1qfw n ASP 86 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1qfw s VAL 87 N -0.42 4.33 -0.10 2.53 1.01 -1.23 -4.86 120.40 121.67 1qfw s VAL 87 Ca 0.06 -0.55 -0.31 0.00 0.00 0.00 0.00 61.98 61.18 1qfw s VAL 87 Cb 0.05 -4.74 0.11 0.00 0.00 0.00 0.00 36.38 31.80 1qfw s VAL 87 CO 0.00 -1.52 1.39 0.00 0.00 0.00 0.00 175.10 174.97 1qfw s ALA 88 N 3.98 -2.78 0.04 5.51 0.00 -1.25 -4.75 121.76 122.51 1qfw s ALA 88 Ca 0.26 0.28 -0.19 0.00 0.00 0.00 0.00 51.96 52.31 1qfw s ALA 88 Cb -0.13 0.86 -0.06 0.00 0.00 0.00 0.00 23.12 23.79 1qfw s ALA 88 CO 0.06 -1.17 0.55 0.99 0.00 0.00 0.00 175.76 176.19 1qfw s THR 89 N -2.00 4.83 -0.19 0.00 2.01 -1.11 -1.08 115.64 118.11 1qfw s THR 89 Ca 0.30 1.16 -0.02 0.00 0.31 0.00 0.00 61.69 63.45 1qfw s THR 89 Cb 0.01 -3.88 -0.00 0.00 0.01 0.00 0.00 72.50 68.64 1qfw s THR 89 CO -0.04 0.52 -0.11 -0.31 -0.69 0.00 0.00 174.62 173.99 1qfw s TYR 90 N -0.83 2.87 -0.17 4.92 2.02 -1.26 -2.73 117.35 122.17 1qfw s TYR 90 Ca 0.29 -1.11 -0.07 0.00 -0.37 0.00 0.00 57.07 55.81 1qfw s TYR 90 Cb -0.19 -2.00 -0.04 0.00 -0.40 0.00 0.00 41.96 39.33 1qfw s TYR 90 CO 0.17 -0.57 0.05 0.71 -1.57 0.00 0.00 175.55 174.35 1qfw s TYR 91 N 1.22 3.24 0.49 2.71 2.02 0.01 -2.59 117.35 124.46 1qfw s TYR 91 Ca 0.02 0.07 0.01 0.00 -0.37 0.00 0.00 57.07 56.80 1qfw s TYR 91 Cb -0.14 -2.05 0.01 0.00 -0.40 0.00 0.00 41.96 39.38 1qfw s TYR 91 CO -0.05 0.18 0.72 0.00 -1.57 0.00 0.00 175.55 174.83 1qfw s GLN 93 N -4.64 1.07 -0.08 0.00 0.74 0.16 -2.81 119.66 114.10 1qfw s GLN 93 Ca 0.52 -0.36 -0.02 0.00 0.05 0.00 0.00 55.36 55.55 1qfw s GLN 93 Cb -0.10 0.49 0.04 0.00 1.10 0.00 0.00 33.01 34.53 1qfw s GLN 93 CO 0.38 -0.41 0.05 -1.14 -0.55 0.00 0.00 175.29 173.63 1qfw s GLN 94 N -2.89 0.11 -0.30 1.67 0.74 -1.08 0.19 119.66 118.09 1qfw s GLN 94 Ca -0.03 0.21 -0.21 0.00 0.05 0.00 0.00 55.36 55.38 1qfw s GLN 94 Cb -0.00 -0.91 -0.01 0.00 1.10 0.00 0.00 33.01 33.19 1qfw s GLN 94 CO -0.05 -0.40 0.68 -1.12 -0.55 0.00 0.00 175.29 173.84 1qfw s SER 95 N 2.11 6.55 0.33 6.67 0.01 -0.33 -3.29 113.70 125.76 1qfw s SER 95 Ca 0.04 0.51 0.07 0.00 1.31 0.00 0.00 55.95 57.88 1qfw s SER 95 Cb -0.13 -2.35 -0.01 0.00 0.21 0.00 0.00 66.02 63.73 1qfw s SER 95 CO -0.05 -0.52 0.43 -1.81 0.41 0.00 0.00 173.24 171.71 1qfw s ASP 96 N 1.63 5.87 0.00 2.44 1.11 -1.12 -1.52 116.67 125.08 1qfw s ASP 96 Ca 0.27 -0.23 0.00 0.00 0.18 0.00 0.00 52.55 52.78 1qfw s ASP 96 Cb -0.15 -1.22 0.00 0.00 1.07 0.00 0.00 42.92 42.62 1qfw s ASP 96 CO 0.12 -0.40 0.00 1.21 1.18 0.00 0.00 175.17 177.28 1qfw n GLU 97 N -1.58 0.00 0.09 8.23 2.13 -0.24 -4.40 120.64 124.87 1qfw n GLU 97 Ca -0.01 0.00 -0.06 0.00 0.66 0.00 0.00 57.16 57.75 1qfw n GLU 97 Cb 0.58 0.00 0.06 0.00 0.27 0.00 0.00 31.44 32.36 1qfw n GLU 97 CO 0.00 0.00 0.00 0.10 -0.41 0.00 0.00 177.13 176.82 1qfw h TYR 98 N 0.00 0.21 -0.75 4.31 -0.00 -1.91 -2.83 116.97 116.00 1qfw h TYR 98 Ca 0.00 -0.10 -0.72 0.00 -0.00 0.00 0.00 58.73 57.91 1qfw h TYR 98 Cb 0.00 -0.03 -0.08 0.00 -0.00 0.00 0.00 36.73 36.62 1qfw h TYR 98 CO 0.00 0.84 2.85 -2.30 -0.00 0.00 0.00 178.16 179.55 1qfw n PRO 99 N -3.74 4.07 -1.60 0.10 -0.02 -1.26 -4.91 135.00 127.63 1qfw n PRO 99 Ca -0.02 -3.03 -0.62 0.00 -2.02 0.00 0.00 63.50 57.81 1qfw n PRO 99 Cb 0.71 -2.77 -0.09 0.00 -0.02 0.00 0.00 33.50 31.33 1qfw n PRO 99 CO 0.00 0.00 0.00 0.98 1.98 0.00 0.00 175.50 178.46 1qfw n TYR 100 N 2.90 1.71 -3.63 6.00 9.36 -1.07 -4.86 117.16 127.57 1qfw n TYR 100 Ca 0.63 0.80 -0.03 0.00 3.32 0.00 0.00 57.90 62.62 1qfw n TYR 100 Cb 0.27 -2.34 -0.04 0.00 -0.63 0.00 0.00 39.34 36.60 1qfw n TYR 100 CO 0.00 0.00 0.00 1.41 0.22 0.00 0.00 176.86 178.49 1qfw s MET 101 N 4.12 0.14 -0.21 2.98 1.75 -1.26 -5.06 119.30 121.77 1qfw s MET 101 Ca 1.07 0.02 -0.01 0.00 -1.25 0.00 0.00 55.69 55.51 1qfw s MET 101 Cb -1.31 0.06 0.01 0.00 2.84 0.00 0.00 34.83 36.43 1qfw s MET 101 CO 0.71 -0.05 -0.12 0.71 -0.65 0.00 0.00 175.02 175.62 1qfw s TYR 102 N -1.24 2.89 0.14 4.11 2.02 -1.26 -2.79 117.35 121.22 1qfw s TYR 102 Ca 0.08 -1.34 0.10 0.00 -0.37 0.00 0.00 57.07 55.54 1qfw s TYR 102 Cb -0.01 -2.01 -0.04 0.00 -0.40 0.00 0.00 41.96 39.50 1qfw s TYR 102 CO -0.06 -0.69 -0.23 0.99 -1.57 0.00 0.00 175.55 173.98 1qfw s THR 103 N 1.37 2.06 0.25 -0.71 2.01 -1.21 -5.02 115.64 114.40 1qfw s THR 103 Ca 0.05 -1.77 0.11 0.00 0.31 0.00 0.00 61.69 60.38 1qfw s THR 103 Cb -0.14 -1.88 -0.05 0.00 0.01 0.00 0.00 72.50 70.45 1qfw s THR 103 CO -0.08 -0.05 -0.19 -0.36 -0.69 0.00 0.00 174.62 173.25 1qfw s PHE 104 N -1.34 2.16 -1.53 4.92 0.40 -1.26 -2.65 117.98 118.68 1qfw s PHE 104 Ca 0.13 -0.38 0.16 0.00 -0.60 0.00 0.00 56.93 56.24 1qfw s PHE 104 Cb -0.09 -0.97 0.01 0.00 0.51 0.00 0.00 43.02 42.48 1qfw s PHE 104 CO 0.06 0.61 0.87 0.41 0.70 0.00 0.00 175.22 177.87 1qfw n GLY 105 N -0.41 -0.01 0.00 4.36 0.00 -1.12 -4.74 105.19 103.26 1qfw n GLY 105 Ca -0.07 -0.46 0.00 0.00 0.00 0.00 0.00 46.02 45.49 1qfw n GLY 105 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qfw n GLY 106 N 1.11 0.16 3.50 -0.02 0.00 -1.26 -4.25 105.19 104.43 1qfw n GLY 106 Ca 0.07 -1.89 -0.12 0.00 0.00 0.00 0.00 46.02 44.08 1qfw n GLY 106 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1qfw s GLY 107 N 0.00 -0.47 -1.20 -0.02 0.00 -1.26 -4.05 107.32 100.32 1qfw s GLY 107 Ca 0.00 1.82 -0.04 0.00 0.00 0.00 0.00 44.72 46.51 1qfw s GLY 107 CO 0.00 1.69 2.14 -1.30 0.00 0.00 0.00 173.10 175.63 1qfw n THR 108 N 3.30 5.61 -1.55 0.90 -2.24 -1.07 -4.63 114.28 114.60 1qfw n THR 108 Ca -0.16 -5.03 -0.61 0.00 -2.27 0.00 0.00 64.05 55.98 1qfw n THR 108 Cb 0.56 -1.86 -0.09 0.00 -2.10 0.00 0.00 70.33 66.85 1qfw n THR 108 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 1qfw n LYS 109 N 1.00 0.00 -3.81 -0.78 4.81 -1.15 -4.25 118.16 113.99 1qfw n LYS 109 Ca 0.56 0.00 -0.36 0.00 -0.87 0.00 0.00 58.31 57.63 1qfw n LYS 109 Cb 0.25 -1.45 -0.07 0.00 0.02 0.00 0.00 35.03 33.78 1qfw n LYS 109 CO 0.00 0.00 0.00 -1.17 1.17 0.00 0.00 177.40 177.40 1qfw s LEU 110 N 1.20 4.31 -0.16 3.14 0.20 -0.24 -2.00 118.68 125.13 1qfw s LEU 110 Ca 0.94 0.37 -0.00 0.00 0.69 0.00 0.00 54.13 56.13 1qfw s LEU 110 Cb -1.32 -2.09 0.04 0.00 -0.43 0.00 0.00 46.19 42.39 1qfw s LEU 110 CO 0.65 0.31 -0.05 -1.83 -0.29 0.00 0.00 176.35 175.13 1qfw s GLU 111 N -0.41 1.45 -0.04 1.98 -1.05 -1.14 -3.89 118.70 115.59 1qfw s GLU 111 Ca 0.12 -0.50 -0.30 0.00 -0.15 0.00 0.00 54.97 54.14 1qfw s GLU 111 Cb -0.12 -1.98 -0.03 0.00 -0.44 0.00 0.00 34.13 31.56 1qfw s GLU 111 CO 0.02 -0.42 1.05 0.96 0.95 0.00 0.00 175.26 177.82 1qfw s ILE 112 N 1.64 4.64 0.08 1.83 -4.36 -1.26 -3.73 121.20 120.03 1qfw s ILE 112 Ca 0.01 1.90 -0.31 0.00 -0.26 0.00 0.00 60.65 62.00 1qfw s ILE 112 Cb -0.15 -4.22 -0.09 0.00 1.25 0.00 0.00 42.46 39.24 1qfw s ILE 112 CO -0.08 0.07 1.82 -0.54 0.24 0.00 0.00 174.94 176.45 1qfw s LYS 113 N 1.60 4.15 0.00 0.37 1.02 -1.21 -4.94 119.74 120.74 1qfw s LYS 113 Ca 0.52 2.53 0.00 0.00 0.02 0.00 0.00 55.97 59.04 1qfw s LYS 113 Cb -0.22 -3.75 0.00 0.00 -0.52 0.00 0.00 37.83 33.35 1qfw s LYS 113 CO 0.23 -0.85 0.00 2.89 -0.92 0.00 0.00 175.35 176.70