#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qfw n PRO 8 N 5.13 0.00 -2.16 0.00 -0.04 -1.26 -4.69 135.00 131.98 1qfw n PRO 8 Ca -0.08 0.00 -0.40 0.00 -0.04 0.00 0.00 63.50 62.98 1qfw n PRO 8 Cb 0.49 -1.03 -0.02 0.00 -0.04 0.00 0.00 33.50 32.90 1qfw n PRO 8 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 1qfw s GLU 9 N -0.70 4.26 -0.76 0.54 2.12 -1.26 0.19 118.70 123.09 1qfw s GLU 9 Ca 0.65 2.12 -0.25 0.00 0.36 0.00 0.00 54.97 57.84 1qfw s GLU 9 Cb -0.93 -2.97 -0.04 0.00 0.26 0.00 0.00 34.13 30.46 1qfw s GLU 9 CO 0.52 -0.23 1.93 0.00 -0.54 0.00 0.00 175.26 176.94 1qfw n THR 11 N 7.61 0.00 -2.63 0.00 5.66 -1.12 -4.65 114.28 119.15 1qfw n THR 11 Ca 0.31 -2.07 -0.37 0.00 -3.05 0.00 0.00 64.05 58.87 1qfw n THR 11 Cb 0.49 0.80 -0.05 0.00 -1.55 0.00 0.00 70.33 70.02 1qfw n THR 11 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 175.07 171.26 1qfw s LEU 12 N 0.00 4.28 -0.14 1.09 1.43 -1.26 -1.58 118.68 122.51 1qfw s LEU 12 Ca 0.21 1.99 -0.08 0.00 -1.03 0.00 0.00 54.13 55.22 1qfw s LEU 12 Cb 0.01 -4.03 0.05 0.00 0.03 0.00 0.00 46.19 42.25 1qfw s LEU 12 CO 0.15 -0.27 0.33 -1.10 0.23 0.00 0.00 176.35 175.69 1qfw s GLN 13 N -2.16 0.32 0.23 1.70 -0.21 0.31 -4.91 119.66 114.93 1qfw s GLN 13 Ca 0.53 0.63 -0.32 0.00 0.02 0.00 0.00 55.36 56.22 1qfw s GLN 13 Cb -0.22 -0.03 -0.13 0.00 1.00 0.00 0.00 33.01 33.63 1qfw s GLN 13 CO 0.28 -0.14 1.53 -1.91 -2.12 0.00 0.00 175.29 172.93 1qfw n GLU 14 N 4.01 2.30 -3.68 2.91 2.13 -1.26 -1.12 120.64 125.92 1qfw n GLU 14 Ca -0.22 0.82 -0.38 0.00 0.66 0.00 0.00 57.16 58.04 1qfw n GLU 14 Cb 0.55 -2.56 -0.10 0.00 0.27 0.00 0.00 31.44 29.61 1qfw n GLU 14 CO 0.00 0.00 0.00 1.21 -0.41 0.00 0.00 177.13 177.93 1qfw s ASN 15 N 0.59 5.42 0.40 4.31 2.47 -0.06 -4.88 114.94 123.19 1qfw s ASN 15 Ca 0.71 -2.42 0.21 0.00 0.42 0.00 0.00 52.86 51.77 1qfw s ASN 15 Cb -0.61 -1.89 1.19 0.00 -1.45 0.00 0.00 41.25 38.49 1qfw s ASN 15 CO 0.45 -0.49 1.71 1.55 -3.72 0.00 0.00 177.10 176.59 1qfw h PRO 16 N 7.64 0.28 -0.17 0.43 0.13 -1.85 0.26 132.00 138.72 1qfw h PRO 16 Ca -0.08 -0.02 -0.04 0.00 -0.87 0.00 0.00 66.00 65.00 1qfw h PRO 16 Cb 1.01 -0.06 -0.01 0.00 0.13 0.00 0.00 31.00 32.06 1qfw h PRO 16 CO 0.74 0.19 -0.06 0.35 -0.23 0.00 0.00 178.00 178.98 1qfw h PHE 17 N 0.29 0.27 0.00 1.56 3.57 -1.96 -3.20 116.94 117.47 1qfw h PHE 17 Ca 0.69 -0.02 -0.03 0.00 3.53 0.00 0.00 57.97 62.13 1qfw h PHE 17 Cb 1.85 -0.08 -0.01 0.00 2.79 0.00 0.00 35.95 40.51 1qfw h PHE 17 CO -0.00 0.33 -1.27 1.19 -2.23 0.00 0.00 178.31 176.32 1qfw n PHE 18 N -4.33 0.00 -2.27 0.41 3.72 -0.98 -5.02 117.46 109.00 1qfw n PHE 18 Ca -0.00 0.00 -0.40 0.00 -0.05 0.00 0.00 57.45 57.00 1qfw n PHE 18 Cb 0.22 -0.16 -0.03 0.00 -0.94 0.00 0.00 39.48 38.57 1qfw n PHE 18 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 176.76 175.59 1qfw s SER 19 N -2.98 6.87 -0.14 4.37 0.01 0.86 -4.68 113.70 118.02 1qfw s SER 19 Ca -0.02 2.48 -0.10 0.00 1.31 0.00 0.00 55.95 59.61 1qfw s SER 19 Cb 0.03 -2.63 0.04 0.00 0.21 0.00 0.00 66.02 63.66 1qfw s SER 19 CO 0.21 -0.45 0.35 -1.58 0.41 0.00 0.00 173.24 172.18 1qfw s GLN 20 N -1.80 0.37 -0.10 12.44 2.00 0.46 -4.73 119.66 128.30 1qfw s GLN 20 Ca 0.49 0.56 -0.41 0.00 -2.00 0.00 0.00 55.36 54.00 1qfw s GLN 20 Cb -0.35 0.10 -0.20 0.00 0.80 0.00 0.00 33.01 33.36 1qfw s GLN 20 CO 0.46 -0.09 1.16 -0.35 -0.50 0.00 0.00 175.29 175.97 1qfw n PRO 21 N 3.41 0.00 0.00 1.67 -0.04 -1.26 0.13 135.00 138.91 1qfw n PRO 21 Ca -0.17 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.29 1qfw n PRO 21 Cb 0.56 -1.48 0.00 0.00 -0.04 0.00 0.00 33.50 32.55 1qfw n PRO 21 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1qfw n GLY 22 N 1.99 2.21 2.29 0.55 0.00 -1.26 -4.82 105.19 106.15 1qfw n GLY 22 Ca 0.22 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.07 1qfw n GLY 22 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qfw n ALA 23 N -0.53 1.56 -2.62 4.61 0.00 0.35 -5.11 120.51 118.77 1qfw n ALA 23 Ca 0.00 -3.05 -0.42 0.00 0.00 0.00 0.00 53.44 49.97 1qfw n ALA 23 Cb 0.00 -0.96 -0.03 0.00 0.00 0.00 0.00 19.45 18.46 1qfw n ALA 23 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1qfw s PRO 24 N -1.72 4.51 -0.30 0.00 0.04 -1.13 -0.40 135.00 136.00 1qfw s PRO 24 Ca 0.36 1.52 -0.11 0.00 0.04 0.00 0.00 61.00 62.82 1qfw s PRO 24 Cb 0.31 -3.43 -0.03 0.00 0.04 0.00 0.00 34.50 31.38 1qfw s PRO 24 CO -0.09 -0.13 0.18 0.42 0.04 0.00 0.00 177.00 177.42 1qfw s ILE 25 N 1.09 5.01 -0.13 0.56 -1.09 -1.26 -4.91 121.20 120.46 1qfw s ILE 25 Ca 0.54 -0.09 -0.08 0.00 -2.23 0.00 0.00 60.65 58.78 1qfw s ILE 25 Cb -0.23 -3.46 -0.04 0.00 -1.58 0.00 0.00 42.46 37.15 1qfw s ILE 25 CO 0.28 0.16 0.15 -0.76 -1.23 0.00 0.00 174.94 173.54 1qfw s LEU 26 N 1.70 4.35 0.00 2.97 1.43 -1.26 -0.88 118.68 127.00 1qfw s LEU 26 Ca 0.06 0.43 0.07 0.00 -1.03 0.00 0.00 54.13 53.66 1qfw s LEU 26 Cb -0.16 -2.09 -0.02 0.00 0.03 0.00 0.00 46.19 43.94 1qfw s LEU 26 CO 0.09 0.35 -0.20 -1.58 0.23 0.00 0.00 176.35 175.24 1qfw s GLN 27 N -0.71 1.57 0.00 1.70 0.74 -0.27 -1.15 119.66 121.54 1qfw s GLN 27 Ca 0.14 -0.80 -0.30 0.00 0.05 0.00 0.00 55.36 54.45 1qfw s GLN 27 Cb -0.12 -1.57 -0.03 0.00 1.10 0.00 0.00 33.01 32.39 1qfw s GLN 27 CO 0.03 0.42 1.00 0.00 -0.55 0.00 0.00 175.29 176.19 1qfw s MET 29 N 1.03 0.46 0.00 0.00 0.00 -0.61 -4.94 119.30 115.23 1qfw s MET 29 Ca 0.52 0.69 0.00 0.00 0.00 0.00 0.00 55.69 56.91 1qfw s MET 29 Cb -0.22 0.15 0.00 0.00 0.00 0.00 0.00 34.83 34.76 1qfw s MET 29 CO 0.28 -0.08 0.00 0.41 0.00 0.00 0.00 175.02 175.63 1qfw n GLY 30 N 3.18 -0.57 3.44 3.16 0.00 -1.26 -2.79 105.19 110.35 1qfw n GLY 30 Ca -0.16 -0.74 -0.32 0.00 0.00 0.00 0.00 46.02 44.79 1qfw n GLY 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qfw s PHE 33 N -2.97 3.75 0.10 0.00 5.36 -1.26 -4.90 117.98 118.07 1qfw s PHE 33 Ca 0.18 1.80 0.02 0.00 -0.96 0.00 0.00 56.93 57.97 1qfw s PHE 33 Cb -0.00 -3.14 -0.04 0.00 -0.34 0.00 0.00 43.02 39.50 1qfw s PHE 33 CO 0.04 -0.10 -0.07 -1.12 -1.46 0.00 0.00 175.22 172.52 1qfw s SER 34 N -1.04 1.15 -0.25 6.13 0.01 -1.26 -3.05 113.70 115.39 1qfw s SER 34 Ca 0.43 -1.00 -0.18 0.00 1.31 0.00 0.00 55.95 56.51 1qfw s SER 34 Cb -0.29 0.09 0.07 0.00 0.21 0.00 0.00 66.02 66.10 1qfw s SER 34 CO 0.36 -0.46 0.63 -0.60 0.41 0.00 0.00 173.24 173.59 1qfw s ARG 35 N -3.81 0.69 -0.03 12.44 3.52 0.29 -5.01 118.95 127.03 1qfw s ARG 35 Ca 0.12 1.01 0.01 0.00 -0.13 0.00 0.00 55.73 56.73 1qfw s ARG 35 Cb 0.05 0.23 0.03 0.00 -1.56 0.00 0.00 34.95 33.70 1qfw s ARG 35 CO -0.05 -0.12 -0.01 0.00 -0.81 0.00 0.00 175.30 174.31 1qfw s ALA 36 N 0.97 0.37 0.21 6.12 0.00 -1.26 0.13 121.76 128.30 1qfw s ALA 36 Ca -0.05 0.13 -0.15 0.00 0.00 0.00 0.00 51.96 51.88 1qfw s ALA 36 Cb -0.05 -0.32 0.01 0.00 0.00 0.00 0.00 23.12 22.76 1qfw s ALA 36 CO -0.09 -0.05 0.49 1.52 0.00 0.00 0.00 175.76 177.63 1qfw s TYR 37 N 0.96 0.06 0.23 0.00 -0.85 -0.62 -4.99 117.35 112.14 1qfw s TYR 37 Ca -0.10 -0.43 -0.32 0.00 -0.52 0.00 0.00 57.07 55.71 1qfw s TYR 37 Cb -0.14 0.31 -0.12 0.00 0.38 0.00 0.00 41.96 42.39 1qfw s TYR 37 CO -0.01 -0.93 1.68 -2.30 -1.52 0.00 0.00 175.55 172.47 1qfw n PRO 38 N -0.34 2.72 -1.67 -3.49 -0.02 -1.26 -0.07 135.00 130.86 1qfw n PRO 38 Ca -0.07 0.98 -0.45 0.00 -2.02 0.00 0.00 63.50 61.94 1qfw n PRO 38 Cb 0.62 -2.81 -0.04 0.00 -0.02 0.00 0.00 33.50 31.26 1qfw n PRO 38 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89 1qfw n THR 39 N 3.46 0.68 -1.76 3.45 -1.04 -0.88 -4.62 114.28 113.57 1qfw n THR 39 Ca 0.14 -0.12 -0.42 0.00 -2.04 0.00 0.00 64.05 61.61 1qfw n THR 39 Cb 0.35 -2.11 -0.03 0.00 -1.82 0.00 0.00 70.33 66.72 1qfw n THR 39 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 1qfw s PRO 40 N 4.28 4.14 0.33 -2.82 0.04 -1.26 -4.77 135.00 134.94 1qfw s PRO 40 Ca 0.91 2.56 0.11 0.00 0.04 0.00 0.00 61.00 64.62 1qfw s PRO 40 Cb -0.56 -3.22 0.99 0.00 0.04 0.00 0.00 34.50 31.75 1qfw s PRO 40 CO 0.47 -0.75 1.64 1.25 0.04 0.00 0.00 177.00 179.65 1qfw h LEU 41 N 7.28 0.28 -1.14 -3.56 7.12 -1.97 0.24 115.31 123.55 1qfw h LEU 41 Ca -0.44 0.21 0.17 0.00 0.13 0.00 0.00 57.88 57.95 1qfw h LEU 41 Cb 1.20 0.22 -0.09 0.00 -0.53 0.00 0.00 40.66 41.46 1qfw h LEU 41 CO 0.95 -0.20 0.61 0.03 -0.13 0.00 0.00 178.44 179.70 1qfw h ARG 42 N 0.23 0.73 0.00 1.25 2.47 -2.02 -0.06 114.38 116.98 1qfw h ARG 42 Ca 0.69 -0.04 -0.27 0.00 -1.26 0.00 0.00 59.98 59.09 1qfw h ARG 42 Cb 1.56 -0.17 -0.05 0.00 -1.65 0.00 0.00 29.97 29.67 1qfw h ARG 42 CO -0.67 0.49 -1.56 0.66 0.56 0.00 0.00 179.97 179.45 1qfw h SER 43 N 0.76 0.00 0.00 7.04 4.64 -0.98 -3.32 113.55 121.68 1qfw h SER 43 Ca 0.52 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.84 1qfw h SER 43 Cb 0.80 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.89 1qfw h SER 43 CO -0.29 1.00 0.17 1.17 -0.87 0.00 0.00 176.83 178.01 1qfw n LYS 44 N -3.11 0.02 0.02 4.77 4.81 -0.05 -0.68 118.16 123.95 1qfw n LYS 44 Ca -0.13 0.40 0.08 0.00 -0.87 0.00 0.00 58.31 57.79 1qfw n LYS 44 Cb 1.03 -1.74 -0.11 0.00 0.02 0.00 0.00 35.03 34.22 1qfw n LYS 44 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 1qfw n LYS 45 N -1.52 0.64 0.05 1.64 5.02 -1.14 -3.93 118.16 118.91 1qfw n LYS 45 Ca -0.00 -0.04 0.13 0.00 -2.02 0.00 0.00 58.31 56.38 1qfw n LYS 45 Cb 0.17 -1.64 0.52 0.00 -0.02 0.00 0.00 35.03 34.06 1qfw n LYS 45 CO 0.00 0.00 0.00 -2.37 -0.52 0.00 0.00 177.40 174.51 1qfw n THR 46 N -2.49 0.29 -2.47 -0.18 5.66 0.14 -4.86 114.28 110.38 1qfw n THR 46 Ca -0.06 -0.10 -0.42 0.00 -3.05 0.00 0.00 64.05 60.42 1qfw n THR 46 Cb 0.65 -0.57 -0.03 0.00 -1.55 0.00 0.00 70.33 68.83 1qfw n THR 46 CO 0.00 0.00 0.00 -0.04 -3.05 0.00 0.00 175.07 171.98 1qfw s MET 47 N -3.05 4.36 0.14 1.09 1.00 -1.21 -4.92 119.30 116.71 1qfw s MET 47 Ca 0.12 1.67 -0.12 0.00 0.00 0.00 0.00 55.69 57.37 1qfw s MET 47 Cb 0.16 -3.54 -0.04 0.00 0.00 0.00 0.00 34.83 31.41 1qfw s MET 47 CO 0.54 -0.42 1.48 1.25 0.00 0.00 0.00 175.02 177.88 1qfw h LEU 48 N 8.05 0.96 -7.09 -0.03 5.85 -1.92 -3.36 115.31 117.76 1qfw h LEU 48 Ca -0.35 -0.45 -0.62 0.00 0.84 0.00 0.00 57.88 57.31 1qfw h LEU 48 Cb 1.17 -0.27 -0.41 0.00 0.37 0.00 0.00 40.66 41.52 1qfw h LEU 48 CO 0.87 1.20 -0.68 -0.69 -0.34 0.00 0.00 178.44 178.80 1qfw s VAL 49 N -4.47 2.07 -0.84 1.05 1.01 -1.26 -5.07 120.40 112.89 1qfw s VAL 49 Ca -0.11 -3.24 -0.21 0.00 0.00 0.00 0.00 61.98 58.41 1qfw s VAL 49 Cb 0.11 -2.42 -0.20 0.00 0.00 0.00 0.00 36.38 33.87 1qfw s VAL 49 CO 0.87 -0.92 2.38 0.00 0.00 0.00 0.00 175.10 177.43 1qfw n GLN 50 N 2.96 0.37 0.00 2.72 6.02 -1.26 -4.94 117.38 123.26 1qfw n GLN 50 Ca 0.12 -0.29 0.00 0.00 -0.01 0.00 0.00 57.00 56.81 1qfw n GLN 50 Cb 0.35 -2.44 0.00 0.00 1.02 0.00 0.00 30.24 29.17 1qfw n GLN 50 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 1qfw n LYS 51 N 7.75 2.35 0.00 -1.09 5.02 -1.26 -5.03 118.16 125.90 1qfw n LYS 51 Ca 0.55 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.84 1qfw n LYS 51 Cb 0.29 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.30 1qfw n LYS 51 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 1qfw n ASN 52 N 0.00 0.00 -3.84 4.39 6.94 -1.26 -4.99 115.26 116.50 1qfw n ASN 52 Ca 0.00 0.00 -0.30 0.00 -0.02 0.00 0.00 54.58 54.26 1qfw n ASN 52 Cb 0.00 0.00 -0.15 0.00 -2.36 0.00 0.00 39.78 37.27 1qfw n ASN 52 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 1qfw s VAL 53 N 0.00 1.40 0.51 3.53 1.01 -1.26 -2.08 120.40 123.50 1qfw s VAL 53 Ca 0.00 -1.76 -0.21 0.00 0.00 0.00 0.00 61.98 60.00 1qfw s VAL 53 Cb 0.00 -2.05 -0.06 0.00 0.00 0.00 0.00 36.38 34.27 1qfw s VAL 53 CO 0.00 -0.65 1.16 -0.89 0.00 0.00 0.00 175.10 174.72 1qfw s THR 54 N 1.34 3.07 -0.03 3.92 2.01 0.89 -4.83 115.64 122.01 1qfw s THR 54 Ca 0.10 0.74 -0.01 0.00 0.31 0.00 0.00 61.69 62.83 1qfw s THR 54 Cb -0.18 -3.34 0.03 0.00 0.01 0.00 0.00 72.50 69.02 1qfw s THR 54 CO -0.19 -0.08 0.06 -0.55 -0.69 0.00 0.00 174.62 173.18 1qfw s SER 55 N -1.54 0.01 -0.17 3.53 0.15 -1.26 -1.59 113.70 112.83 1qfw s SER 55 Ca 0.69 0.12 -0.02 0.00 0.70 0.00 0.00 55.95 57.43 1qfw s SER 55 Cb -0.27 0.02 -0.01 0.00 -1.71 0.00 0.00 66.02 64.04 1qfw s SER 55 CO 0.32 -0.12 -0.08 -1.61 1.20 0.00 0.00 173.24 172.95 1qfw s GLU 56 N 0.99 3.43 -0.22 5.44 2.02 0.35 -4.98 118.70 125.72 1qfw s GLU 56 Ca -0.08 -0.63 -0.07 0.00 0.02 0.00 0.00 54.97 54.21 1qfw s GLU 56 Cb -0.11 -2.85 0.10 0.00 0.10 0.00 0.00 34.13 31.37 1qfw s GLU 56 CO -0.03 0.03 0.46 -1.54 0.02 0.00 0.00 175.26 174.19 1qfw s SER 57 N 0.86 -0.39 0.16 -0.19 1.04 -1.26 -0.55 113.70 113.36 1qfw s SER 57 Ca -0.02 1.06 0.00 0.00 0.48 0.00 0.00 55.95 57.47 1qfw s SER 57 Cb -0.15 1.50 -0.04 0.00 0.10 0.00 0.00 66.02 67.43 1qfw s SER 57 CO 0.01 -0.23 0.33 0.42 0.98 0.00 0.00 173.24 174.75 1qfw s THR 58 N 2.66 5.27 -0.04 2.02 -4.23 -1.17 -3.95 115.64 116.20 1qfw s THR 58 Ca -0.02 -0.45 -0.03 0.00 -1.18 0.00 0.00 61.69 60.02 1qfw s THR 58 Cb -0.12 -3.71 0.01 0.00 1.34 0.00 0.00 72.50 70.02 1qfw s THR 58 CO -0.14 -0.09 0.10 0.00 -0.54 0.00 0.00 174.62 173.95 1qfw s VAL 61 N 4.04 0.09 0.18 0.00 -7.23 -1.21 -4.94 120.40 111.34 1qfw s VAL 61 Ca 0.95 -0.76 -0.30 0.00 -1.81 0.00 0.00 61.98 60.06 1qfw s VAL 61 Cb -0.83 -0.38 -0.08 0.00 0.56 0.00 0.00 36.38 35.65 1qfw s VAL 61 CO 0.57 -0.42 1.10 0.00 -0.31 0.00 0.00 175.10 176.04 1qfw s ALA 62 N -1.42 3.37 -0.23 1.32 0.00 -1.26 -2.13 121.76 121.41 1qfw s ALA 62 Ca -0.15 0.82 0.17 0.00 0.00 0.00 0.00 51.96 52.79 1qfw s ALA 62 Cb -0.08 -3.35 -0.24 0.00 0.00 0.00 0.00 23.12 19.44 1qfw s ALA 62 CO 0.01 -0.21 0.46 0.36 0.00 0.00 0.00 175.76 176.39 1qfw n LYS 63 N 2.33 0.79 -3.74 0.00 2.85 -0.80 -4.91 118.16 114.68 1qfw n LYS 63 Ca 0.03 -0.11 -0.14 0.00 -1.05 0.00 0.00 58.31 57.03 1qfw n LYS 63 Cb 0.46 -1.37 -0.15 0.00 -0.65 0.00 0.00 35.03 33.32 1qfw n LYS 63 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 177.40 175.81 1qfw s SER 64 N -3.59 -0.01 -0.15 -5.58 1.04 -1.25 -5.00 113.70 99.16 1qfw s SER 64 Ca -0.03 0.28 -0.06 0.00 0.48 0.00 0.00 55.95 56.62 1qfw s SER 64 Cb 0.11 0.17 0.07 0.00 0.10 0.00 0.00 66.02 66.48 1qfw s SER 64 CO 0.70 -0.16 0.33 -0.72 0.98 0.00 0.00 173.24 174.37 1qfw s TYR 65 N 1.29 -0.54 0.39 5.02 1.13 -1.26 -1.15 117.35 122.22 1qfw s TYR 65 Ca -0.08 1.14 -0.09 0.00 -1.41 0.00 0.00 57.07 56.64 1qfw s TYR 65 Cb -0.12 0.12 -0.06 0.00 -1.10 0.00 0.00 41.96 40.80 1qfw s TYR 65 CO -0.06 -0.37 0.73 -0.80 -2.51 0.00 0.00 175.55 172.54 1qfw s ASN 66 N 2.14 6.49 -0.26 -0.18 0.01 -0.59 -4.87 114.94 117.69 1qfw s ASN 66 Ca -0.03 1.03 -0.06 0.00 -0.71 0.00 0.00 52.86 53.10 1qfw s ASN 66 Cb -0.11 -2.28 -0.01 0.00 0.41 0.00 0.00 41.25 39.26 1qfw s ASN 66 CO -0.10 -0.37 0.04 -0.13 -1.51 0.00 0.00 177.10 175.03 1qfw s ARG 67 N -3.85 3.33 0.42 -0.60 0.52 -1.26 -0.98 118.95 116.53 1qfw s ARG 67 Ca 0.49 -0.68 0.07 0.00 -0.52 0.00 0.00 55.73 55.09 1qfw s ARG 67 Cb -0.10 -3.25 -0.07 0.00 0.52 0.00 0.00 34.95 32.05 1qfw s ARG 67 CO 0.32 -0.30 0.03 0.14 0.02 0.00 0.00 175.30 175.51 1qfw s VAL 68 N 1.52 1.97 -0.08 3.52 -7.23 -1.03 -4.98 120.40 114.10 1qfw s VAL 68 Ca 0.04 -1.96 0.04 0.00 -1.81 0.00 0.00 61.98 58.30 1qfw s VAL 68 Cb -0.16 -2.93 -0.01 0.00 0.56 0.00 0.00 36.38 33.84 1qfw s VAL 68 CO 0.01 0.00 -0.20 -0.89 -0.31 0.00 0.00 175.10 173.71 1qfw s THR 69 N -2.71 2.52 0.33 5.32 2.01 -1.26 -1.47 115.64 120.38 1qfw s THR 69 Ca 0.33 -0.89 0.07 0.00 0.31 0.00 0.00 61.69 61.52 1qfw s THR 69 Cb 0.08 -1.97 -0.03 0.00 0.01 0.00 0.00 72.50 70.59 1qfw s THR 69 CO 0.17 0.56 0.29 0.68 -0.69 0.00 0.00 174.62 175.64 1qfw s VAL 70 N -0.12 3.65 0.13 3.82 -7.23 -1.20 -4.96 120.40 114.49 1qfw s VAL 70 Ca -0.03 -1.35 0.03 0.00 -1.81 0.00 0.00 61.98 58.82 1qfw s VAL 70 Cb -0.14 -3.22 0.15 0.00 0.56 0.00 0.00 36.38 33.73 1qfw s VAL 70 CO 0.04 -0.19 0.59 0.23 -0.31 0.00 0.00 175.10 175.46 1qfw n MET 71 N -1.37 -0.03 -3.10 4.82 2.81 -1.26 -3.50 117.12 115.49 1qfw n MET 71 Ca -0.02 0.55 -0.44 0.00 -1.81 0.00 0.00 57.70 55.98 1qfw n MET 71 Cb 0.59 -0.91 -0.06 0.00 -0.71 0.00 0.00 33.22 32.13 1qfw n MET 71 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 1qfw s GLY 72 N -3.80 1.71 0.00 3.03 0.00 -1.26 -4.95 107.32 102.05 1qfw s GLY 72 Ca -0.04 -1.63 0.00 0.00 0.00 0.00 0.00 44.72 43.05 1qfw s GLY 72 CO 0.29 1.57 0.00 0.61 0.00 0.00 0.00 173.10 175.58 1qfw n GLY 73 N 5.16 0.00 3.45 0.20 0.00 -1.23 -4.65 105.19 108.13 1qfw n GLY 73 Ca -0.05 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.54 1qfw n GLY 73 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 1qfw n PHE 74 N 0.00 -0.30 -4.21 1.61 1.16 -1.26 -4.60 117.46 109.86 1qfw n PHE 74 Ca 0.00 0.70 -0.33 0.00 -1.87 0.00 0.00 57.45 55.95 1qfw n PHE 74 Cb 0.00 -2.02 -0.08 0.00 -1.61 0.00 0.00 39.48 35.77 1qfw n PHE 74 CO 0.00 0.00 0.00 -1.59 -1.87 0.00 0.00 176.76 173.30 1qfw s LYS 75 N -1.40 2.89 0.49 3.97 -2.85 -1.26 -3.24 119.74 118.34 1qfw s LYS 75 Ca 0.62 -0.56 0.04 0.00 -1.00 0.00 0.00 55.97 55.07 1qfw s LYS 75 Cb -0.69 -2.74 -0.02 0.00 -2.06 0.00 0.00 37.83 32.32 1qfw s LYS 75 CO 0.58 0.63 0.14 0.14 0.10 0.00 0.00 175.35 176.95 1qfw s VAL 76 N -1.12 1.62 -0.19 1.79 -7.23 -0.54 -4.97 120.40 109.75 1qfw s VAL 76 Ca 0.21 -1.82 -0.12 0.00 -1.81 0.00 0.00 61.98 58.44 1qfw s VAL 76 Cb -0.12 -2.43 -0.05 0.00 0.56 0.00 0.00 36.38 34.34 1qfw s VAL 76 CO 0.11 0.00 0.21 -1.61 -0.31 0.00 0.00 175.10 173.50 1qfw s GLU 77 N -3.96 4.20 -0.21 4.82 2.02 -1.26 -2.46 118.70 121.85 1qfw s GLU 77 Ca 0.23 -0.09 -0.06 0.00 0.02 0.00 0.00 54.97 55.07 1qfw s GLU 77 Cb 0.02 -3.44 -0.03 0.00 0.10 0.00 0.00 34.13 30.78 1qfw s GLU 77 CO 0.13 0.23 0.03 1.21 0.02 0.00 0.00 175.26 176.89 1qfw s ASN 78 N 0.52 5.06 -0.03 -0.19 2.47 -0.15 -4.89 114.94 117.73 1qfw s ASN 78 Ca 0.12 -0.16 -0.22 0.00 0.42 0.00 0.00 52.86 53.02 1qfw s ASN 78 Cb -0.12 -1.88 -0.05 0.00 -1.45 0.00 0.00 41.25 37.75 1qfw s ASN 78 CO 0.01 0.05 0.65 -1.00 -3.72 0.00 0.00 177.10 173.10 1qfw s HIS 79 N 1.10 3.63 -0.17 0.43 3.76 -0.30 -1.54 115.29 122.21 1qfw s HIS 79 Ca 0.03 1.23 0.15 0.00 -0.15 0.00 0.00 55.06 56.33 1qfw s HIS 79 Cb -0.14 -2.71 -0.22 0.00 1.11 0.00 0.00 32.58 30.61 1qfw s HIS 79 CO 0.02 0.22 0.40 2.41 -0.85 0.00 0.00 174.74 176.94 1qfw n THR 80 N 3.24 0.00 -3.48 1.30 -1.04 -0.30 -4.64 114.28 109.36 1qfw n THR 80 Ca -0.04 -0.31 -0.14 0.00 -2.04 0.00 0.00 64.05 61.52 1qfw n THR 80 Cb 0.51 0.33 -0.04 0.00 -1.82 0.00 0.00 70.33 69.31 1qfw n THR 80 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1qfw s ALA 81 N -2.93 -1.70 -0.01 2.41 0.00 -1.21 -4.96 121.76 113.36 1qfw s ALA 81 Ca -0.03 0.93 0.02 0.00 0.00 0.00 0.00 51.96 52.88 1qfw s ALA 81 Cb 0.10 0.40 -0.00 0.00 0.00 0.00 0.00 23.12 23.62 1qfw s ALA 81 CO 0.64 -0.57 -0.07 0.00 0.00 0.00 0.00 175.76 175.75 1qfw s HIS 83 N -0.07 -0.40 -0.05 0.00 -3.43 -0.90 -4.91 115.29 105.53 1qfw s HIS 83 Ca 0.01 0.93 -0.30 0.00 -0.80 0.00 0.00 55.06 54.91 1qfw s HIS 83 Cb -0.04 0.13 -0.06 0.00 -1.43 0.00 0.00 32.58 31.18 1qfw s HIS 83 CO -0.00 -0.22 1.72 0.00 -2.00 0.00 0.00 174.74 174.24 1qfw s SER 85 N 3.69 1.88 -0.47 0.00 0.01 -1.00 -4.84 113.70 112.98 1qfw s SER 85 Ca 0.77 -1.73 -0.45 0.00 1.31 0.00 0.00 55.95 55.85 1qfw s SER 85 Cb -0.34 0.55 -0.19 0.00 0.21 0.00 0.00 66.02 66.25 1qfw s SER 85 CO 0.32 -1.03 1.81 0.41 0.41 0.00 0.00 173.24 175.16 1qfw n THR 86 N -0.68 0.04 -2.41 1.44 -1.04 -1.26 -1.40 114.28 108.97 1qfw n THR 86 Ca 0.04 -0.02 -0.40 0.00 -2.04 0.00 0.00 64.05 61.63 1qfw n THR 86 Cb 0.63 -0.64 -0.04 0.00 -1.82 0.00 0.00 70.33 68.46 1qfw n THR 86 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1qfw n TYR 88 N 1.22 0.00 -0.01 0.00 4.01 -1.26 -4.84 117.16 116.28 1qfw n TYR 88 Ca -0.01 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 1qfw n TYR 88 Cb 0.44 0.00 0.01 0.00 -0.31 0.00 0.00 39.34 39.48 1qfw n TYR 88 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 1qfw n TYR 89 N -0.51 0.03 -0.10 -0.72 4.02 -1.26 -4.68 117.16 113.94 1qfw n TYR 89 Ca 0.00 -0.46 -0.12 0.00 -0.01 0.00 0.00 57.90 57.31 1qfw n TYR 89 Cb 0.01 -0.04 -0.04 0.00 -0.02 0.00 0.00 39.34 39.25 1qfw n TYR 89 CO 0.00 0.00 0.00 1.12 -1.01 0.00 0.00 176.86 176.97 1qfw h HIS 90 N 0.12 0.74 -2.16 -0.72 2.07 -2.01 -3.44 115.15 109.76 1qfw h HIS 90 Ca 0.00 -0.19 -0.60 0.00 -2.85 0.00 0.00 60.37 56.73 1qfw h HIS 90 Cb 0.48 -0.17 0.05 0.00 2.57 0.00 0.00 27.41 30.34 1qfw h HIS 90 CO 0.01 0.89 0.81 1.63 -3.07 0.00 0.00 177.93 178.20 1qfw n LYS 91 N -4.37 2.03 0.00 5.12 4.76 -1.26 -5.28 118.16 119.16 1qfw n LYS 91 Ca -0.03 0.73 0.00 0.00 -2.87 0.00 0.00 58.31 56.14 1qfw n LYS 91 Cb 0.39 -2.50 0.00 0.00 -1.84 0.00 0.00 35.03 31.08 1qfw n LYS 91 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48