#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3nfw s THR 2 N 0.00 4.31 -0.57 2.52 2.01 -1.26 -5.00 115.64 117.65 3nfw s THR 2 Ca 0.00 1.44 0.04 0.00 0.31 0.00 0.00 61.69 63.48 3nfw s THR 2 Cb 0.00 -4.43 0.14 0.00 0.01 0.00 0.00 72.50 68.22 3nfw s THR 2 CO 0.00 -0.69 0.33 0.00 -0.69 0.00 0.00 174.62 173.57 3nfw s ALA 3 N 4.16 3.45 -0.59 7.40 0.00 -1.26 -5.07 121.76 129.85 3nfw s ALA 3 Ca 0.49 -3.43 -0.28 0.00 0.00 0.00 0.00 51.96 48.75 3nfw s ALA 3 Cb -0.11 -2.17 0.01 0.00 0.00 0.00 0.00 23.12 20.85 3nfw s ALA 3 CO 0.23 -2.04 1.44 -1.21 0.00 0.00 0.00 175.76 174.19 3nfw s GLU 4 N -0.60 3.21 -0.00 0.00 2.02 -1.26 -4.86 118.70 117.21 3nfw s GLU 4 Ca 0.19 0.36 0.02 0.00 0.02 0.00 0.00 54.97 55.57 3nfw s GLU 4 Cb -0.20 -4.16 -0.04 0.00 0.10 0.00 0.00 34.13 29.83 3nfw s GLU 4 CO -0.04 -2.06 0.05 0.00 0.02 0.00 0.00 175.26 173.23 3nfw n ALA 5 N 9.90 2.08 -2.65 5.21 0.00 -1.26 -5.00 120.51 128.79 3nfw n ALA 5 Ca 0.12 -0.06 -0.37 0.00 0.00 0.00 0.00 53.44 53.13 3nfw n ALA 5 Cb 0.49 -0.08 -0.11 0.00 0.00 0.00 0.00 19.45 19.76 3nfw n ALA 5 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3nfw s ILE 6 N -2.16 5.21 0.11 0.00 -1.09 -1.26 -5.07 121.20 116.94 3nfw s ILE 6 Ca -0.01 0.13 -0.31 0.00 -2.23 0.00 0.00 60.65 58.24 3nfw s ILE 6 Cb 0.01 -3.47 -0.08 0.00 -1.58 0.00 0.00 42.46 37.35 3nfw s ILE 6 CO 0.10 0.28 1.47 -0.62 -1.23 0.00 0.00 174.94 174.94 3nfw s ASP 7 N 1.57 6.74 0.27 3.58 2.15 -1.26 -4.94 116.67 124.78 3nfw s ASP 7 Ca 0.07 2.40 -0.02 0.00 0.43 0.00 0.00 52.55 55.42 3nfw s ASP 7 Cb -0.15 -2.58 0.36 0.00 -0.30 0.00 0.00 42.92 40.25 3nfw s ASP 7 CO 0.09 -0.73 1.83 1.56 -0.17 0.00 0.00 175.17 177.75 3nfw h GLN 8 N 7.08 0.92 -0.64 4.34 4.20 -2.00 -1.75 115.11 127.27 3nfw h GLN 8 Ca -0.42 -0.17 -0.03 0.00 0.06 0.00 0.00 58.65 58.09 3nfw h GLN 8 Cb 1.20 -0.15 -0.03 0.00 0.30 0.00 0.00 27.48 28.81 3nfw h GLN 8 CO 0.89 0.78 0.27 0.00 -0.67 0.00 0.00 178.83 180.10 3nfw h ARG 9 N 0.90 0.94 -0.45 1.46 3.08 -2.00 -2.18 114.38 116.13 3nfw h ARG 9 Ca 0.21 -0.16 -0.01 0.00 0.07 0.00 0.00 59.98 60.08 3nfw h ARG 9 Cb 0.23 -0.16 -0.02 0.00 0.08 0.00 0.00 29.97 30.11 3nfw h ARG 9 CO -0.01 0.78 0.24 1.15 -1.07 0.00 0.00 179.97 181.06 3nfw h THR 10 N 0.89 1.17 -0.38 2.04 2.02 -1.87 -2.26 112.91 114.51 3nfw h THR 10 Ca 0.21 -0.45 0.06 0.00 0.77 0.00 0.00 66.41 67.01 3nfw h THR 10 Cb 0.18 0.65 -0.05 0.00 -1.74 0.00 0.00 68.15 67.18 3nfw h THR 10 CO -0.02 0.18 0.05 0.15 0.37 0.00 0.00 175.52 176.24 3nfw h PHE 11 N 0.58 0.07 -0.48 3.16 3.57 -1.14 -0.46 116.94 122.25 3nfw h PHE 11 Ca 0.16 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.67 3nfw h PHE 11 Cb 0.07 0.03 -0.02 0.00 2.79 0.00 0.00 35.95 38.82 3nfw h PHE 11 CO -0.02 -0.02 0.26 0.00 -2.23 0.00 0.00 178.31 176.31 3nfw h ARG 12 N 0.16 0.67 0.01 1.11 3.08 -1.26 -1.51 114.38 116.64 3nfw h ARG 12 Ca 0.18 -0.08 -0.00 0.00 0.07 0.00 0.00 59.98 60.16 3nfw h ARG 12 Cb 0.23 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 30.15 3nfw h ARG 12 CO -0.27 0.53 -0.00 0.00 -1.07 0.00 0.00 179.97 179.16 3nfw h ARG 13 N 0.64 -0.01 -0.18 0.04 3.08 -1.16 -2.47 114.38 114.31 3nfw h ARG 13 Ca 0.17 0.00 -0.11 0.00 0.07 0.00 0.00 59.98 60.11 3nfw h ARG 13 Cb 0.05 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.10 3nfw h ARG 13 CO -0.03 0.14 -0.34 0.28 -1.07 0.00 0.00 179.97 178.96 3nfw h VAL 14 N -0.17 1.34 0.00 2.04 2.07 -1.04 -2.94 116.25 117.56 3nfw h VAL 14 Ca -0.00 -1.58 -0.02 0.00 0.82 0.00 0.00 66.70 65.92 3nfw h VAL 14 Cb 0.16 1.91 -0.00 0.00 -1.52 0.00 0.00 31.29 31.84 3nfw h VAL 14 CO 0.00 0.48 -0.09 -0.07 0.02 0.00 0.00 177.57 177.91 3nfw h LEU 15 N 0.19 0.00 -1.41 2.57 -0.00 -1.36 -1.63 115.31 113.67 3nfw h LEU 15 Ca 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.89 3nfw h LEU 15 Cb 0.93 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.59 3nfw h LEU 15 CO 0.08 0.09 0.00 1.23 -0.00 0.00 0.00 178.44 179.84 3nfw h GLY 16 N 1.13 0.00 2.00 0.83 0.00 -1.25 -2.60 103.07 103.18 3nfw h GLY 16 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3nfw h GLY 16 CO 0.01 0.00 0.00 1.46 0.00 0.00 0.00 176.54 178.01 3nfw h GLN 17 N 0.00 0.00 -5.87 4.80 1.08 -1.34 -0.97 115.11 112.81 3nfw h GLN 17 Ca 0.00 0.00 -0.61 0.00 -1.45 0.00 0.00 58.65 56.59 3nfw h GLN 17 Cb 0.23 0.00 -0.12 0.00 -0.05 0.00 0.00 27.48 27.54 3nfw h GLN 17 CO 0.00 0.00 0.55 0.12 -0.95 0.00 0.00 178.83 178.55 3nfw s PHE 18 N -3.44 2.82 0.40 2.96 5.36 -0.98 -4.94 117.98 120.15 3nfw s PHE 18 Ca 0.03 0.02 -0.25 0.00 -0.96 0.00 0.00 56.93 55.78 3nfw s PHE 18 Cb 0.09 -4.03 -0.09 0.00 -0.34 0.00 0.00 43.02 38.65 3nfw s PHE 18 CO 0.44 -1.30 1.11 0.00 -1.46 0.00 0.00 175.22 174.00 3nfw s THR 20 N -1.52 0.22 1.06 0.00 -4.23 -0.95 -5.01 115.64 105.21 3nfw s THR 20 Ca 0.57 -1.80 -0.18 0.00 -1.18 0.00 0.00 61.69 59.11 3nfw s THR 20 Cb -0.26 -1.51 0.27 0.00 1.34 0.00 0.00 72.50 72.33 3nfw s THR 20 CO 0.33 -0.99 0.85 0.61 -0.54 0.00 0.00 174.62 174.87 3nfw n GLY 21 N 0.12 -3.03 2.94 3.99 0.00 -1.26 -0.76 105.19 107.19 3nfw n GLY 21 Ca -0.14 -1.43 -0.19 0.00 0.00 0.00 0.00 46.02 44.26 3nfw n GLY 21 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3nfw s VAL 22 N -2.44 0.57 0.20 1.61 1.01 -1.18 -4.60 120.40 115.57 3nfw s VAL 22 Ca 0.57 -0.21 0.11 0.00 0.00 0.00 0.00 61.98 62.45 3nfw s VAL 22 Cb -0.07 -0.55 -0.04 0.00 0.00 0.00 0.00 36.38 35.72 3nfw s VAL 22 CO 0.45 0.21 -0.22 0.42 0.00 0.00 0.00 175.10 175.95 3nfw s THR 23 N 0.47 2.30 -0.21 3.92 -4.23 -0.76 -1.85 115.64 115.28 3nfw s THR 23 Ca -0.06 -2.09 -0.03 0.00 -1.18 0.00 0.00 61.69 58.33 3nfw s THR 23 Cb -0.10 -2.12 0.00 0.00 1.34 0.00 0.00 72.50 71.62 3nfw s THR 23 CO 0.00 -0.20 -0.08 -0.63 -0.54 0.00 0.00 174.62 173.17 3nfw s ILE 24 N -1.88 3.05 -0.22 2.99 -1.09 -0.49 -1.57 121.20 121.98 3nfw s ILE 24 Ca 0.22 -0.63 -0.09 0.00 -2.23 0.00 0.00 60.65 57.92 3nfw s ILE 24 Cb -0.07 -2.38 -0.04 0.00 -1.58 0.00 0.00 42.46 38.39 3nfw s ILE 24 CO 0.10 0.43 0.11 -0.63 -1.23 0.00 0.00 174.94 173.72 3nfw s ILE 25 N 1.43 4.94 0.16 2.92 1.01 -0.48 -1.47 121.20 129.70 3nfw s ILE 25 Ca 0.05 0.03 0.04 0.00 0.00 0.00 0.00 60.65 60.78 3nfw s ILE 25 Cb -0.14 -3.28 -0.05 0.00 0.01 0.00 0.00 42.46 39.00 3nfw s ILE 25 CO -0.06 0.39 -0.08 0.42 0.00 0.00 0.00 174.94 175.61 3nfw s THR 26 N 0.92 1.16 0.36 2.92 -4.23 -0.32 -1.91 115.64 114.53 3nfw s THR 26 Ca 0.05 -2.06 -0.11 0.00 -1.18 0.00 0.00 61.69 58.39 3nfw s THR 26 Cb -0.13 -1.95 0.03 0.00 1.34 0.00 0.00 72.50 71.79 3nfw s THR 26 CO 0.03 -0.66 0.67 0.28 -0.54 0.00 0.00 174.62 174.40 3nfw s THR 27 N -3.34 0.00 -0.10 3.99 -1.32 -0.42 -1.36 115.64 113.09 3nfw s THR 27 Ca 0.19 -1.22 0.01 0.00 -1.21 0.00 0.00 61.69 59.46 3nfw s THR 27 Cb 0.03 -2.75 -0.02 0.00 -1.51 0.00 0.00 72.50 68.25 3nfw s THR 27 CO 0.02 0.00 -0.14 -0.69 -2.21 0.00 0.00 174.62 171.61 3nfw s VAL 28 N -2.66 3.04 -0.12 5.08 1.01 -1.26 -1.22 120.40 124.26 3nfw s VAL 28 Ca 0.21 -0.69 -0.06 0.00 0.00 0.00 0.00 61.98 61.44 3nfw s VAL 28 Cb -0.03 -2.25 0.05 0.00 0.00 0.00 0.00 36.38 34.15 3nfw s VAL 28 CO 0.14 0.55 0.27 -2.28 0.00 0.00 0.00 175.10 173.78 3nfw s HIS 29 N 0.00 -0.38 -1.55 5.22 5.04 -0.64 -4.83 115.29 118.16 3nfw s HIS 29 Ca -0.04 0.88 -0.11 0.00 -1.54 0.00 0.00 55.06 54.26 3nfw s HIS 29 Cb -0.14 0.06 0.08 0.00 0.04 0.00 0.00 32.58 32.62 3nfw s HIS 29 CO 0.04 -0.27 0.75 0.39 -2.34 0.00 0.00 174.74 173.31 3nfw n GLU 30 N 4.44 -4.05 -0.99 2.88 1.02 -1.26 -2.10 120.64 120.59 3nfw n GLU 30 Ca -0.22 0.47 0.00 0.00 -0.02 0.00 0.00 57.16 57.39 3nfw n GLU 30 Cb 0.53 -5.08 0.00 0.00 -0.02 0.00 0.00 31.44 26.87 3nfw n GLU 30 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3nfw n GLY 31 N -1.65 0.46 3.23 0.62 0.00 -1.26 -5.03 105.19 101.56 3nfw n GLY 31 Ca -0.06 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.72 3nfw n GLY 31 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3nfw s ASN 32 N -2.09 2.27 0.37 1.61 0.01 -0.89 -5.14 114.94 111.08 3nfw s ASN 32 Ca 0.00 -0.55 -0.26 0.00 -0.71 0.00 0.00 52.86 51.34 3nfw s ASN 32 Cb 0.00 -0.16 -0.09 0.00 0.41 0.00 0.00 41.25 41.41 3nfw s ASN 32 CO 0.00 0.10 1.10 -2.16 -1.51 0.00 0.00 177.10 174.63 3nfw s PRO 33 N -1.36 4.24 -0.01 -0.60 0.04 -1.26 -1.62 135.00 134.43 3nfw s PRO 33 Ca 0.05 1.69 0.02 0.00 0.04 0.00 0.00 61.00 62.81 3nfw s PRO 33 Cb -0.09 -2.74 -0.00 0.00 0.04 0.00 0.00 34.50 31.71 3nfw s PRO 33 CO 0.02 -0.12 -0.07 0.08 0.04 0.00 0.00 177.00 176.95 3nfw s VAL 34 N -1.45 0.58 0.17 -0.36 1.01 -0.36 -4.93 120.40 115.05 3nfw s VAL 34 Ca 0.54 -0.31 -0.24 0.00 0.00 0.00 0.00 61.98 61.97 3nfw s VAL 34 Cb -0.27 -0.50 0.06 0.00 0.00 0.00 0.00 36.38 35.67 3nfw s VAL 34 CO 0.35 0.17 0.89 -0.83 0.00 0.00 0.00 175.10 175.68 3nfw s GLY 35 N -0.13 -0.23 0.01 4.51 0.00 -1.26 -1.30 107.32 108.92 3nfw s GLY 35 Ca 0.02 0.10 -0.12 0.00 0.00 0.00 0.00 44.72 44.73 3nfw s GLY 35 CO -0.00 0.01 0.24 -0.11 0.00 0.00 0.00 173.10 173.24 3nfw s PHE 36 N -3.42 -0.06 0.23 1.90 -0.12 -0.81 -4.91 117.98 110.79 3nfw s PHE 36 Ca 0.11 0.00 -0.30 0.00 -0.05 0.00 0.00 56.93 56.69 3nfw s PHE 36 Cb -0.02 0.03 -0.09 0.00 -0.63 0.00 0.00 43.02 42.32 3nfw s PHE 36 CO 0.02 -0.40 1.02 0.00 -0.05 0.00 0.00 175.22 175.82 3nfw s ALA 37 N -1.83 3.36 -0.14 1.99 0.00 -1.26 -1.39 121.76 122.48 3nfw s ALA 37 Ca -0.10 0.74 -0.08 0.00 0.00 0.00 0.00 51.96 52.52 3nfw s ALA 37 Cb -0.04 -3.28 0.05 0.00 0.00 0.00 0.00 23.12 19.85 3nfw s ALA 37 CO 0.01 -0.01 0.34 0.00 0.00 0.00 0.00 175.76 176.10 3nfw n GLN 39 N 4.11 2.08 -1.01 0.00 10.64 -1.26 -1.83 117.38 130.11 3nfw n GLN 39 Ca -0.23 -0.00 -0.14 0.00 -1.83 0.00 0.00 57.00 54.80 3nfw n GLN 39 Cb 0.55 -1.20 -0.07 0.00 -0.86 0.00 0.00 30.24 28.65 3nfw n GLN 39 CO 0.00 0.00 0.00 -1.13 -1.83 0.00 0.00 177.06 174.10 3nfw n SER 40 N -1.36 5.79 -4.69 2.61 3.41 -1.26 -4.90 113.62 113.23 3nfw n SER 40 Ca 0.03 -2.75 -0.32 0.00 -0.26 0.00 0.00 58.87 55.57 3nfw n SER 40 Cb 0.23 -1.25 -0.08 0.00 -0.26 0.00 0.00 64.21 62.85 3nfw n SER 40 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 3nfw s PHE 41 N -0.38 3.05 -0.07 7.33 5.36 -1.26 -2.37 117.98 129.64 3nfw s PHE 41 Ca 0.45 0.04 -0.14 0.00 -0.96 0.00 0.00 56.93 56.33 3nfw s PHE 41 Cb 0.26 -1.62 0.03 0.00 -0.34 0.00 0.00 43.02 41.35 3nfw s PHE 41 CO -0.06 0.47 0.34 0.00 -1.46 0.00 0.00 175.22 174.51 3nfw s ALA 42 N -1.17 -0.84 0.14 11.12 0.00 -0.78 -5.01 121.76 125.21 3nfw s ALA 42 Ca 0.22 0.65 -0.31 0.00 0.00 0.00 0.00 51.96 52.52 3nfw s ALA 42 Cb -0.12 -0.22 -0.09 0.00 0.00 0.00 0.00 23.12 22.70 3nfw s ALA 42 CO 0.13 -0.22 1.42 0.00 0.00 0.00 0.00 175.76 177.10 3nfw s ALA 43 N -0.64 3.63 -0.16 0.00 0.00 -1.26 -1.58 121.76 121.74 3nfw s ALA 43 Ca -0.07 1.18 -0.11 0.00 0.00 0.00 0.00 51.96 52.96 3nfw s ALA 43 Cb -0.04 -3.55 -0.07 0.00 0.00 0.00 0.00 23.12 19.46 3nfw s ALA 43 CO 0.03 -0.65 -0.25 -0.11 0.00 0.00 0.00 175.76 174.78 3nfw n LEU 44 N 3.75 1.46 -3.79 0.00 7.94 -0.69 -4.91 117.00 120.76 3nfw n LEU 44 Ca 0.11 0.25 -0.13 0.00 -1.11 0.00 0.00 56.01 55.13 3nfw n LEU 44 Cb 0.41 -0.58 -0.10 0.00 0.53 0.00 0.00 43.42 43.68 3nfw n LEU 44 CO 0.59 0.14 -0.05 -0.55 -1.11 0.00 0.00 177.39 176.42 3nfw s SER 45 N -6.49 -0.19 -0.10 1.96 0.15 -0.92 -4.97 113.70 103.14 3nfw s SER 45 Ca -0.25 0.23 -0.12 0.00 0.70 0.00 0.00 55.95 56.51 3nfw s SER 45 Cb 0.08 0.40 -0.27 0.00 -1.71 0.00 0.00 66.02 64.52 3nfw s SER 45 CO 0.33 -0.28 0.49 0.25 1.20 0.00 0.00 173.24 175.23 3nfw h LEU 46 N 4.73 0.42 -6.79 3.45 5.85 -1.95 -2.01 115.31 119.01 3nfw h LEU 46 Ca -0.28 -0.88 -0.50 0.00 0.84 0.00 0.00 57.88 57.05 3nfw h LEU 46 Cb 1.19 -0.14 -0.39 0.00 0.37 0.00 0.00 40.66 41.69 3nfw h LEU 46 CO 0.37 1.73 -0.76 -0.62 -0.34 0.00 0.00 178.44 178.81 3nfw s ASP 47 N -7.09 3.26 0.69 1.25 -1.08 -1.26 -2.82 116.67 109.62 3nfw s ASP 47 Ca -0.20 -1.18 -0.12 0.00 -0.52 0.00 0.00 52.55 50.53 3nfw s ASP 47 Cb 0.05 -0.26 0.01 0.00 -1.46 0.00 0.00 42.92 41.26 3nfw s ASP 47 CO 0.77 -0.43 1.07 -2.16 0.52 0.00 0.00 175.17 174.95 3nfw s PRO 48 N 2.13 2.82 -0.39 4.34 0.04 -1.26 -5.09 135.00 137.59 3nfw s PRO 48 Ca 0.08 1.10 -0.29 0.00 0.04 0.00 0.00 61.00 61.94 3nfw s PRO 48 Cb -0.16 -1.97 0.01 0.00 0.04 0.00 0.00 34.50 32.42 3nfw s PRO 48 CO -0.34 -1.20 1.44 -1.25 0.04 0.00 0.00 177.00 175.70 3nfw s PRO 49 N -4.72 3.59 0.04 0.56 0.04 -1.13 -4.54 135.00 128.83 3nfw s PRO 49 Ca 0.61 1.02 0.03 0.00 0.04 0.00 0.00 61.00 62.70 3nfw s PRO 49 Cb -0.16 -4.03 -0.02 0.00 0.04 0.00 0.00 34.50 30.33 3nfw s PRO 49 CO 0.50 -1.55 -0.09 -0.51 0.04 0.00 0.00 177.00 175.39 3nfw s LEU 50 N 5.47 2.20 0.29 -3.56 1.43 -0.76 -1.93 118.68 121.83 3nfw s LEU 50 Ca 0.63 -0.46 0.05 0.00 -1.03 0.00 0.00 54.13 53.31 3nfw s LEU 50 Cb -0.15 -0.29 -0.06 0.00 0.03 0.00 0.00 46.19 45.72 3nfw s LEU 50 CO 0.32 -0.10 0.00 0.68 0.23 0.00 0.00 176.35 177.48 3nfw s VAL 51 N -1.06 1.32 0.11 -1.59 -7.23 -0.80 -1.71 120.40 109.43 3nfw s VAL 51 Ca -0.05 -2.05 0.04 0.00 -1.81 0.00 0.00 61.98 58.11 3nfw s VAL 51 Cb -0.08 -2.58 -0.04 0.00 0.56 0.00 0.00 36.38 34.24 3nfw s VAL 51 CO 0.01 -0.18 -0.10 -1.48 -0.31 0.00 0.00 175.10 173.04 3nfw s LEU 52 N -3.43 2.44 0.09 1.32 0.05 -0.62 -0.94 118.68 117.58 3nfw s LEU 52 Ca 0.32 -0.87 -0.08 0.00 0.05 0.00 0.00 54.13 53.55 3nfw s LEU 52 Cb 0.06 -0.31 -0.00 0.00 -2.05 0.00 0.00 46.19 43.89 3nfw s LEU 52 CO 0.13 -0.28 0.18 0.72 -0.55 0.00 0.00 176.35 176.55 3nfw s PHE 53 N -2.69 0.17 -0.43 3.48 -0.12 -0.75 -1.87 117.98 115.77 3nfw s PHE 53 Ca 0.08 -0.60 0.03 0.00 -0.05 0.00 0.00 56.93 56.39 3nfw s PHE 53 Cb -0.01 -0.07 0.12 0.00 -0.63 0.00 0.00 43.02 42.43 3nfw s PHE 53 CO -0.00 -0.54 0.20 0.00 -0.05 0.00 0.00 175.22 174.82 3nfw s PRO 55 N 0.38 3.56 0.79 0.00 0.04 -1.24 -4.84 135.00 133.70 3nfw s PRO 55 Ca 0.15 0.96 -0.13 0.00 0.04 0.00 0.00 61.00 62.02 3nfw s PRO 55 Cb -0.23 -2.08 0.07 0.00 0.04 0.00 0.00 34.50 32.30 3nfw s PRO 55 CO -0.04 -0.60 1.18 0.95 0.04 0.00 0.00 177.00 178.53 3nfw s THR 56 N -2.78 2.30 0.33 1.26 -4.23 -1.26 -1.50 115.64 109.76 3nfw s THR 56 Ca 0.59 0.13 0.35 0.00 -1.18 0.00 0.00 61.69 61.58 3nfw s THR 56 Cb -0.12 -2.54 0.38 0.00 1.34 0.00 0.00 72.50 71.56 3nfw s THR 56 CO 0.42 -0.10 2.11 0.11 -0.54 0.00 0.00 174.62 176.62 3nfw h LYS 57 N -0.81 0.00 -0.70 3.99 1.57 -1.62 -2.81 116.57 116.19 3nfw h LYS 57 Ca -0.46 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.32 3nfw h LYS 57 Cb 1.28 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.59 3nfw h LYS 57 CO 0.47 0.03 0.00 1.33 -0.57 0.00 0.00 179.45 180.72 3nfw n VAL 58 N -3.20 1.23 -1.91 0.50 0.24 -1.26 -5.00 118.33 108.91 3nfw n VAL 58 Ca -0.01 -1.06 -0.42 0.00 -2.04 0.00 0.00 64.34 60.81 3nfw n VAL 58 Cb 0.23 0.40 -0.03 0.00 -1.47 0.00 0.00 33.84 32.97 3nfw n VAL 58 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 3nfw s SER 59 N -0.98 6.58 0.13 -1.34 0.15 -1.06 -4.94 113.70 112.24 3nfw s SER 59 Ca 0.49 2.56 -0.14 0.00 0.70 0.00 0.00 55.95 59.56 3nfw s SER 59 Cb 0.27 -2.58 -0.01 0.00 -1.71 0.00 0.00 66.02 62.00 3nfw s SER 59 CO 0.30 -0.87 1.60 -0.09 1.20 0.00 0.00 173.24 175.38 3nfw h ARG 60 N 7.70 0.72 -0.70 5.44 2.43 -1.94 -3.12 114.38 124.91 3nfw h ARG 60 Ca -0.43 -0.21 -0.07 0.00 -0.81 0.00 0.00 59.98 58.46 3nfw h ARG 60 Cb 1.20 -0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 30.65 3nfw h ARG 60 CO 0.92 0.78 0.15 0.77 -1.51 0.00 0.00 179.97 181.09 3nfw h SER 61 N 0.57 1.08 -0.75 -3.80 0.02 -1.92 -2.95 113.55 105.80 3nfw h SER 61 Ca 0.12 -0.24 0.02 0.00 -0.84 0.00 0.00 61.79 60.85 3nfw h SER 61 Cb 0.43 -0.29 -0.04 0.00 0.14 0.00 0.00 62.40 62.64 3nfw h SER 61 CO 0.01 1.05 0.49 -0.25 -1.14 0.00 0.00 176.83 176.99 3nfw h TRP 62 N 1.07 0.92 -0.72 3.45 -0.00 -1.93 -0.46 115.95 118.29 3nfw h TRP 62 Ca 0.22 0.02 0.12 0.00 -0.00 0.00 0.00 58.89 59.25 3nfw h TRP 62 Cb 0.40 -0.31 -0.08 0.00 -0.00 0.00 0.00 29.16 29.17 3nfw h TRP 62 CO 0.03 0.55 0.31 0.87 -0.00 0.00 0.00 178.44 180.20 3nfw h LYS 63 N 0.98 0.48 -0.41 2.65 1.57 -1.46 0.56 116.57 120.95 3nfw h LYS 63 Ca 0.29 -0.03 -0.06 0.00 -1.87 0.00 0.00 60.65 58.98 3nfw h LYS 63 Cb -0.05 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.14 3nfw h LYS 63 CO -0.09 0.32 0.02 0.00 -0.57 0.00 0.00 179.45 179.13 3nfw h ALA 64 N 1.49 0.55 -0.52 3.86 0.00 -1.30 -2.65 119.26 120.67 3nfw h ALA 64 Ca 0.37 -0.25 -0.04 0.00 0.00 0.00 0.00 54.91 54.99 3nfw h ALA 64 Cb 0.50 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 3nfw h ALA 64 CO -0.34 0.31 0.17 0.82 0.00 0.00 0.00 179.25 180.21 3nfw h ILE 65 N 0.54 1.23 -0.88 0.00 2.04 -0.60 -1.96 117.51 117.88 3nfw h ILE 65 Ca 0.12 -0.78 0.01 0.00 1.00 0.00 0.00 64.86 65.21 3nfw h ILE 65 Cb 0.45 0.75 -0.04 0.00 -0.74 0.00 0.00 36.82 37.24 3nfw h ILE 65 CO 0.02 0.29 0.58 -0.08 0.00 0.00 0.00 178.15 178.96 3nfw h GLU 66 N 0.72 1.15 -0.23 2.37 4.81 -0.93 0.01 114.58 122.48 3nfw h GLU 66 Ca 0.17 -0.07 -0.18 0.00 -0.13 0.00 0.00 59.36 59.15 3nfw h GLU 66 Cb 0.27 -0.26 0.00 0.00 0.63 0.00 0.00 28.75 29.40 3nfw h GLU 66 CO -0.01 0.76 -0.57 0.00 -0.73 0.00 0.00 179.01 178.46 3nfw h ALA 67 N 1.33 0.38 0.00 2.92 0.00 -1.36 -3.26 119.26 119.26 3nfw h ALA 67 Ca 0.33 -0.52 -0.16 0.00 0.00 0.00 0.00 54.91 54.56 3nfw h ALA 67 Cb -0.12 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 3nfw h ALA 67 CO -0.07 0.61 -0.74 0.66 0.00 0.00 0.00 179.25 179.70 3nfw h SER 68 N 0.54 0.00 0.00 0.00 4.64 -1.24 -3.48 113.55 114.01 3nfw h SER 68 Ca -0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 3nfw h SER 68 Cb 1.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 3nfw h SER 68 CO 0.12 0.74 0.00 0.61 -0.87 0.00 0.00 176.83 177.44 3nfw n GLY 69 N 0.71 0.63 3.18 -0.77 0.00 -0.02 -5.03 105.19 103.88 3nfw n GLY 69 Ca -0.01 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 3nfw n GLY 69 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3nfw s ARG 70 N -0.05 0.77 -0.00 1.61 1.70 -1.24 -1.61 118.95 120.13 3nfw s ARG 70 Ca 0.00 -0.90 -0.27 0.00 -0.47 0.00 0.00 55.73 54.09 3nfw s ARG 70 Cb 0.00 0.31 0.06 0.00 -0.57 0.00 0.00 34.95 34.75 3nfw s ARG 70 CO 0.00 -0.23 0.61 -0.59 -1.08 0.00 0.00 175.30 174.02 3nfw s PHE 71 N -3.50 -0.57 -0.11 5.89 -0.12 -0.76 -4.73 117.98 114.08 3nfw s PHE 71 Ca 0.02 0.84 0.01 0.00 -0.05 0.00 0.00 56.93 57.75 3nfw s PHE 71 Cb 0.03 0.40 -0.02 0.00 -0.63 0.00 0.00 43.02 42.80 3nfw s PHE 71 CO -0.09 -0.63 -0.13 0.00 -0.05 0.00 0.00 175.22 174.32 3nfw s VAL 73 N 0.08 5.22 -0.28 0.00 1.01 -0.42 -1.18 120.40 124.83 3nfw s VAL 73 Ca -0.05 0.09 -0.10 0.00 0.00 0.00 0.00 61.98 61.93 3nfw s VAL 73 Cb -0.15 -3.73 -0.03 0.00 0.00 0.00 0.00 36.38 32.47 3nfw s VAL 73 CO 0.04 0.02 0.15 0.20 0.00 0.00 0.00 175.10 175.51 3nfw s ASN 74 N 1.72 5.63 -0.26 3.32 0.01 -0.55 -1.25 114.94 123.56 3nfw s ASN 74 Ca 0.10 -0.21 -0.19 0.00 -0.71 0.00 0.00 52.86 51.85 3nfw s ASN 74 Cb -0.16 -2.03 -0.02 0.00 0.41 0.00 0.00 41.25 39.44 3nfw s ASN 74 CO 0.11 -0.09 0.58 -0.63 -1.51 0.00 0.00 177.10 175.56 3nfw s ILE 75 N 1.68 5.01 0.20 0.60 1.01 -0.20 -1.40 121.20 128.11 3nfw s ILE 75 Ca 0.06 1.00 -0.23 0.00 0.00 0.00 0.00 60.65 61.48 3nfw s ILE 75 Cb -0.16 -3.90 -0.08 0.00 0.01 0.00 0.00 42.46 38.33 3nfw s ILE 75 CO 0.07 0.03 0.77 -0.76 0.00 0.00 0.00 174.94 175.06 3nfw s LEU 76 N 2.43 4.47 0.49 2.97 1.43 -0.77 -1.08 118.68 128.62 3nfw s LEU 76 Ca 0.24 1.58 -0.19 0.00 -1.03 0.00 0.00 54.13 54.73 3nfw s LEU 76 Cb -0.15 -3.49 -0.08 0.00 0.03 0.00 0.00 46.19 42.50 3nfw s LEU 76 CO 0.09 0.11 1.00 -2.28 0.23 0.00 0.00 176.35 175.50 3nfw s HIS 77 N -1.34 3.22 0.49 0.29 5.65 -1.26 -1.94 115.29 120.40 3nfw s HIS 77 Ca 0.40 1.55 0.22 0.00 0.25 0.00 0.00 55.06 57.48 3nfw s HIS 77 Cb -0.20 -2.91 1.27 0.00 -1.18 0.00 0.00 32.58 29.56 3nfw s HIS 77 CO 0.24 -0.51 1.94 1.05 -0.65 0.00 0.00 174.74 176.81 3nfw h GLU 78 N 1.34 0.17 0.00 2.88 4.11 -1.29 -0.35 114.58 121.45 3nfw h GLU 78 Ca -0.48 -0.01 0.00 0.00 0.07 0.00 0.00 59.36 58.94 3nfw h GLU 78 Cb 1.20 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.41 3nfw h GLU 78 CO 0.60 0.11 0.00 1.63 0.07 0.00 0.00 179.01 181.42 3nfw n LYS 79 N -4.41 0.45 -0.61 1.06 5.02 -1.26 -2.90 118.16 115.52 3nfw n LYS 79 Ca 0.14 0.05 0.08 0.00 -2.02 0.00 0.00 58.31 56.56 3nfw n LYS 79 Cb 0.65 -1.50 0.33 0.00 -0.02 0.00 0.00 35.03 34.49 3nfw n LYS 79 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 3nfw n GLN 80 N -1.16 3.80 -0.31 1.97 6.02 -0.14 -4.56 117.38 122.99 3nfw n GLN 80 Ca 0.12 -2.88 0.15 0.00 -0.01 0.00 0.00 57.00 54.39 3nfw n GLN 80 Cb 0.13 -1.92 0.34 0.00 1.02 0.00 0.00 30.24 29.80 3nfw n GLN 80 CO 0.00 0.00 0.00 0.37 -1.01 0.00 0.00 177.06 176.42 3nfw h GLN 81 N 3.42 0.39 0.00 -1.09 4.15 -1.68 -0.62 115.11 119.68 3nfw h GLN 81 Ca 0.00 -0.02 -0.03 0.00 0.77 0.00 0.00 58.65 59.37 3nfw h GLN 81 Cb 1.52 -0.09 -0.00 0.00 0.21 0.00 0.00 27.48 29.12 3nfw h GLN 81 CO 0.28 0.26 -0.13 1.12 -1.93 0.00 0.00 178.83 178.42 3nfw h HIS 82 N 0.40 0.00 -0.00 3.99 2.07 -1.89 -1.49 115.15 118.22 3nfw h HIS 82 Ca 0.59 0.00 -0.00 0.00 -2.85 0.00 0.00 60.37 58.11 3nfw h HIS 82 Cb 1.16 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 31.14 3nfw h HIS 82 CO -0.12 0.13 -0.00 0.28 -3.07 0.00 0.00 177.93 175.15 3nfw h VAL 83 N 0.00 1.38 -0.54 6.12 2.07 -1.46 -2.14 116.25 121.68 3nfw h VAL 83 Ca -0.00 -1.11 0.07 0.00 0.82 0.00 0.00 66.70 66.48 3nfw h VAL 83 Cb 0.27 2.12 -0.06 0.00 -1.52 0.00 0.00 31.29 32.11 3nfw h VAL 83 CO 0.02 0.29 0.22 -1.28 0.02 0.00 0.00 177.57 176.84 3nfw h SER 84 N -0.46 0.25 -0.90 0.57 0.87 -1.27 -1.67 113.55 110.94 3nfw h SER 84 Ca 0.00 0.06 -0.01 0.00 -1.23 0.00 0.00 61.79 60.61 3nfw h SER 84 Cb 0.48 0.03 -0.04 0.00 -0.44 0.00 0.00 62.40 62.42 3nfw h SER 84 CO 0.00 0.17 0.54 0.00 -0.53 0.00 0.00 176.83 177.01 3nfw h ALA 85 N 1.35 1.14 -0.60 6.23 0.00 -1.29 -1.01 119.26 125.08 3nfw h ALA 85 Ca 0.26 -0.10 -0.05 0.00 0.00 0.00 0.00 54.91 55.01 3nfw h ALA 85 Cb 0.27 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 3nfw h ALA 85 CO -0.24 0.60 0.16 -0.09 0.00 0.00 0.00 179.25 179.68 3nfw h ARG 86 N 1.23 0.95 0.00 0.00 2.43 -0.95 -2.75 114.38 115.29 3nfw h ARG 86 Ca 0.32 -0.22 -0.06 0.00 -0.81 0.00 0.00 59.98 59.21 3nfw h ARG 86 Cb -0.05 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.37 3nfw h ARG 86 CO -0.06 0.86 -0.30 0.74 -1.51 0.00 0.00 179.97 179.70 3nfw h PHE 87 N 0.86 0.00 0.00 2.20 0.04 -0.94 -2.44 116.94 116.66 3nfw h PHE 87 Ca 0.19 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.96 3nfw h PHE 87 Cb 0.33 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.48 3nfw h PHE 87 CO 0.02 0.30 0.00 0.41 -0.60 0.00 0.00 178.31 178.45 3nfw n GLY 88 N -0.40 -1.34 3.14 -1.45 0.00 -0.42 -4.63 105.19 100.09 3nfw n GLY 88 Ca -0.02 -0.07 -0.21 0.00 0.00 0.00 0.00 46.02 45.73 3nfw n GLY 88 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3nfw n SER 89 N -1.57 0.70 -1.29 1.61 3.41 -0.92 -5.03 113.62 110.52 3nfw n SER 89 Ca 0.06 -1.71 0.09 0.00 -0.26 0.00 0.00 58.87 57.04 3nfw n SER 89 Cb 0.29 -0.64 0.30 0.00 -0.26 0.00 0.00 64.21 63.90 3nfw n SER 89 CO 0.00 0.00 0.00 -2.11 -0.16 0.00 0.00 175.04 172.77 3nfw n ARG 90 N -2.81 3.33 -1.65 4.33 0.00 -1.26 -5.01 116.66 113.59 3nfw n ARG 90 Ca 0.13 -2.69 -0.47 0.00 -0.00 0.00 0.00 57.85 54.83 3nfw n ARG 90 Cb 0.47 -1.72 -0.04 0.00 -0.00 0.00 0.00 32.46 31.18 3nfw n ARG 90 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.63 176.78 3nfw n GLU 91 N 0.90 1.92 0.23 2.89 -0.00 -1.26 -4.87 120.64 120.45 3nfw n GLU 91 Ca 0.22 0.69 0.15 0.00 -0.00 0.00 0.00 57.16 58.23 3nfw n GLU 91 Cb 0.76 -2.39 0.54 0.00 -0.00 0.00 0.00 31.44 30.35 3nfw n GLU 91 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.13 176.13 3nfw h PRO 92 N 5.04 0.00 -3.23 3.44 0.13 -1.99 -3.36 132.00 132.03 3nfw h PRO 92 Ca -0.45 0.00 -0.63 0.00 -0.87 0.00 0.00 66.00 64.05 3nfw h PRO 92 Cb 1.28 0.00 -0.41 0.00 0.13 0.00 0.00 31.00 32.00 3nfw h PRO 92 CO 0.82 0.00 -0.65 0.34 -0.23 0.00 0.00 178.00 178.29 3nfw s ASP 93 N -5.47 4.23 0.34 1.44 2.15 -1.26 -4.97 116.67 113.13 3nfw s ASP 93 Ca 0.03 -3.12 0.18 0.00 0.43 0.00 0.00 52.55 50.07 3nfw s ASP 93 Cb 0.08 -1.51 0.47 0.00 -0.30 0.00 0.00 42.92 41.67 3nfw s ASP 93 CO 0.54 -0.21 1.63 0.11 -0.17 0.00 0.00 175.17 177.08 3nfw h LYS 94 N 6.29 0.00 -0.00 4.34 1.57 -1.93 -3.02 116.57 123.81 3nfw h LYS 94 Ca -0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 3nfw h LYS 94 Cb 0.87 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.18 3nfw h LYS 94 CO 0.65 0.42 -0.17 1.19 -0.57 0.00 0.00 179.45 180.98 3nfw n PHE 95 N -3.40 0.00 -1.73 -1.35 3.72 -1.26 -4.82 117.46 108.63 3nfw n PHE 95 Ca 0.01 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 56.99 3nfw n PHE 95 Cb 0.59 -0.21 -0.03 0.00 -0.94 0.00 0.00 39.48 38.90 3nfw n PHE 95 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3nfw s ALA 96 N -2.58 3.75 0.00 4.37 0.00 -1.14 -1.52 121.76 124.64 3nfw s ALA 96 Ca 0.25 1.43 0.00 0.00 0.00 0.00 0.00 51.96 53.64 3nfw s ALA 96 Cb 0.20 -3.76 0.00 0.00 0.00 0.00 0.00 23.12 19.55 3nfw s ALA 96 CO 0.51 -1.23 0.00 0.41 0.00 0.00 0.00 175.76 175.45 3nfw n GLY 97 N 4.23 0.61 3.19 0.00 0.00 -1.26 -5.01 105.19 106.95 3nfw n GLY 97 Ca 0.18 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.85 3nfw n GLY 97 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3nfw s ILE 98 N -2.58 2.89 0.11 -0.61 1.01 -0.57 -5.10 121.20 116.35 3nfw s ILE 98 Ca 0.00 -1.08 -0.31 0.00 0.00 0.00 0.00 60.65 59.25 3nfw s ILE 98 Cb 0.00 -2.50 -0.08 0.00 0.01 0.00 0.00 42.46 39.89 3nfw s ILE 98 CO 0.00 0.15 1.39 -1.81 0.00 0.00 0.00 174.94 174.67 3nfw s ASP 99 N 1.31 6.83 0.09 3.58 1.01 -1.26 -4.94 116.67 123.28 3nfw s ASP 99 Ca -0.01 2.31 -0.07 0.00 0.71 0.00 0.00 52.55 55.50 3nfw s ASP 99 Cb -0.17 -2.58 -0.01 0.00 1.01 0.00 0.00 42.92 41.16 3nfw s ASP 99 CO -0.04 -0.65 0.15 -1.66 0.21 0.00 0.00 175.17 173.17 3nfw s TRP 100 N 1.17 0.29 0.03 4.23 1.48 -1.26 -1.88 118.94 123.00 3nfw s TRP 100 Ca 0.65 -0.74 -0.02 0.00 -1.06 0.00 0.00 56.10 54.92 3nfw s TRP 100 Cb -0.37 -0.15 -0.02 0.00 -1.16 0.00 0.00 33.47 31.78 3nfw s TRP 100 CO 0.30 -0.53 0.02 -0.98 -4.06 0.00 0.00 176.95 171.70 3nfw s ARG 101 N -3.89 0.47 0.21 3.25 1.70 -0.76 -4.96 118.95 114.96 3nfw s ARG 101 Ca 0.08 -0.77 -0.30 0.00 -0.47 0.00 0.00 55.73 54.27 3nfw s ARG 101 Cb 0.05 0.17 -0.08 0.00 -0.57 0.00 0.00 34.95 34.52 3nfw s ARG 101 CO -0.09 -0.10 1.19 -2.14 -1.08 0.00 0.00 175.30 173.08 3nfw s PRO 102 N -2.31 4.51 1.14 3.89 0.02 -1.26 -0.81 135.00 140.17 3nfw s PRO 102 Ca -0.08 1.88 -0.17 0.00 0.02 0.00 0.00 61.00 62.65 3nfw s PRO 102 Cb -0.03 -3.22 0.26 0.00 0.02 0.00 0.00 34.50 31.52 3nfw s PRO 102 CO -0.04 -0.04 1.11 -1.54 -0.33 0.00 0.00 177.00 176.16 3nfw s SER 103 N -0.08 1.49 0.25 2.53 1.04 0.10 -4.87 113.70 114.15 3nfw s SER 103 Ca 0.51 0.78 -0.06 0.00 0.48 0.00 0.00 55.95 57.66 3nfw s SER 103 Cb -0.33 -1.15 0.29 0.00 0.10 0.00 0.00 66.02 64.93 3nfw s SER 103 CO 0.38 -3.79 1.90 0.44 0.98 0.00 0.00 173.24 173.16 3nfw h ASP 104 N -2.35 1.06 1.48 7.02 3.32 -1.97 -1.57 116.42 123.41 3nfw h ASP 104 Ca -0.48 -0.02 -0.02 0.00 0.02 0.00 0.00 57.03 56.53 3nfw h ASP 104 Cb 1.30 -0.25 -0.00 0.00 0.22 0.00 0.00 39.33 40.60 3nfw h ASP 104 CO 0.42 0.74 -0.11 -0.07 -1.72 0.00 0.00 179.24 178.50 3nfw h LEU 105 N 1.24 0.00 0.00 1.55 3.38 -1.97 -3.47 115.31 116.03 3nfw h LEU 105 Ca 0.37 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.34 3nfw h LEU 105 Cb -0.05 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.70 3nfw h LEU 105 CO -0.11 0.11 0.00 0.61 0.09 0.00 0.00 178.44 179.14 3nfw n GLY 106 N 0.67 1.99 3.57 0.83 0.00 -0.59 -5.12 105.19 106.54 3nfw n GLY 106 Ca 0.02 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.75 3nfw n GLY 106 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3nfw s SER 107 N -2.00 4.33 0.03 1.61 0.01 -1.26 -4.40 113.70 112.02 3nfw s SER 107 Ca 0.00 -0.42 -0.30 0.00 1.31 0.00 0.00 55.95 56.53 3nfw s SER 107 Cb 0.00 -0.80 -0.08 0.00 0.21 0.00 0.00 66.02 65.35 3nfw s SER 107 CO 0.00 0.17 1.75 -2.84 0.41 0.00 0.00 173.24 172.73 3nfw s PRO 108 N -2.28 4.17 -0.22 12.44 0.02 -1.26 -0.72 135.00 147.15 3nfw s PRO 108 Ca 0.21 2.39 -0.14 0.00 0.02 0.00 0.00 61.00 63.49 3nfw s PRO 108 Cb -0.11 -3.86 -0.04 0.00 0.02 0.00 0.00 34.50 30.50 3nfw s PRO 108 CO 0.14 -0.84 0.30 0.42 -0.33 0.00 0.00 177.00 176.69 3nfw s ILE 109 N 3.55 5.26 -0.31 2.83 1.01 0.01 -4.76 121.20 128.79 3nfw s ILE 109 Ca 0.78 0.49 -0.25 0.00 0.00 0.00 0.00 60.65 61.67 3nfw s ILE 109 Cb -0.39 -3.64 0.01 0.00 0.01 0.00 0.00 42.46 38.45 3nfw s ILE 109 CO 0.34 0.28 0.88 -0.63 0.00 0.00 0.00 174.94 175.81 3nfw s ILE 110 N 1.29 4.70 0.28 2.92 1.01 -1.26 -1.82 121.20 128.32 3nfw s ILE 110 Ca 0.14 1.37 -0.30 0.00 0.00 0.00 0.00 60.65 61.87 3nfw s ILE 110 Cb -0.14 -4.24 -0.13 0.00 0.01 0.00 0.00 42.46 37.96 3nfw s ILE 110 CO 0.07 -0.32 1.36 0.47 0.00 0.00 0.00 174.94 176.52 3nfw n ASP 111 N 6.41 2.80 0.00 3.58 8.00 -0.79 -2.73 116.55 133.82 3nfw n ASP 111 Ca 0.06 1.17 0.00 0.00 0.71 0.00 0.00 54.79 56.73 3nfw n ASP 111 Cb 0.48 -1.46 0.00 0.00 -0.02 0.00 0.00 41.12 40.12 3nfw n ASP 111 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3nfw n GLY 112 N 1.58 1.03 3.71 0.44 0.00 -1.26 -4.93 105.19 105.77 3nfw n GLY 112 Ca 0.09 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.80 3nfw n GLY 112 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3nfw s SER 113 N -2.95 3.55 0.19 1.61 1.04 -1.10 -4.57 113.70 111.47 3nfw s SER 113 Ca 0.00 2.03 0.02 0.00 0.48 0.00 0.00 55.95 58.47 3nfw s SER 113 Cb 0.00 -2.54 0.09 0.00 0.10 0.00 0.00 66.02 63.67 3nfw s SER 113 CO 0.00 -2.68 1.45 -0.07 0.98 0.00 0.00 173.24 172.93 3nfw h LEU 114 N -1.57 0.34 -7.00 2.42 3.38 -1.40 -3.46 115.31 108.01 3nfw h LEU 114 Ca -0.43 -0.23 0.07 0.00 0.09 0.00 0.00 57.88 57.37 3nfw h LEU 114 Cb 1.25 -0.10 -0.15 0.00 0.09 0.00 0.00 40.66 41.75 3nfw h LEU 114 CO 0.46 0.96 0.41 0.00 0.09 0.00 0.00 178.44 180.36 3nfw s ALA 115 N -3.51 -1.78 0.04 1.53 0.00 -1.23 -4.60 121.76 112.21 3nfw s ALA 115 Ca -0.04 0.95 -0.00 0.00 0.00 0.00 0.00 51.96 52.87 3nfw s ALA 115 Cb 0.11 0.42 -0.03 0.00 0.00 0.00 0.00 23.12 23.62 3nfw s ALA 115 CO 0.82 -0.66 -0.04 -3.38 0.00 0.00 0.00 175.76 172.51 3nfw s HIS 116 N -3.01 0.41 -0.15 0.00 -3.43 -0.58 -1.03 115.29 107.49 3nfw s HIS 116 Ca 0.03 -0.74 -0.01 0.00 -0.80 0.00 0.00 55.06 53.53 3nfw s HIS 116 Cb -0.01 -0.29 0.04 0.00 -1.43 0.00 0.00 32.58 30.89 3nfw s HIS 116 CO -0.08 -0.25 -0.03 0.42 -2.00 0.00 0.00 174.74 172.80 3nfw s ILE 117 N -2.46 0.91 -0.30 -5.38 1.01 -0.38 -1.82 121.20 112.78 3nfw s ILE 117 Ca -0.06 -0.50 -0.17 0.00 0.00 0.00 0.00 60.65 59.92 3nfw s ILE 117 Cb -0.03 -1.13 -0.02 0.00 0.01 0.00 0.00 42.46 41.29 3nfw s ILE 117 CO -0.04 0.11 0.49 -0.62 0.00 0.00 0.00 174.94 174.87 3nfw s ASP 118 N 1.72 6.36 0.13 3.58 2.15 0.05 -1.30 116.67 129.36 3nfw s ASP 118 Ca 0.01 0.27 0.06 0.00 0.43 0.00 0.00 52.55 53.32 3nfw s ASP 118 Cb -0.15 -2.26 -0.04 0.00 -0.30 0.00 0.00 42.92 40.17 3nfw s ASP 118 CO -0.07 -0.34 -0.14 0.00 -0.17 0.00 0.00 175.17 174.45 3nfw s THR 120 N -2.30 3.82 -0.06 0.00 -4.23 -0.87 -1.83 115.64 110.17 3nfw s THR 120 Ca 0.10 -1.36 -0.30 0.00 -1.18 0.00 0.00 61.69 58.96 3nfw s THR 120 Cb -0.04 -2.92 -0.05 0.00 1.34 0.00 0.00 72.50 70.84 3nfw s THR 120 CO 0.03 -0.09 1.47 -0.69 -0.54 0.00 0.00 174.62 174.79 3nfw s VAL 121 N -1.70 3.79 -0.26 2.29 1.01 -0.63 -1.14 120.40 123.75 3nfw s VAL 121 Ca 0.28 1.05 -0.04 0.00 0.00 0.00 0.00 61.98 63.26 3nfw s VAL 121 Cb -0.10 -3.68 -0.15 0.00 0.00 0.00 0.00 36.38 32.46 3nfw s VAL 121 CO 0.19 -0.06 -0.27 1.57 0.00 0.00 0.00 175.10 176.53 3nfw n HIS 122 N 6.36 0.03 -3.49 5.22 -0.00 -0.12 -4.86 115.22 118.36 3nfw n HIS 122 Ca 0.15 0.01 -0.11 0.00 -0.00 0.00 0.00 57.72 57.77 3nfw n HIS 122 Cb 0.44 -1.00 -0.02 0.00 -0.00 0.00 0.00 29.99 29.40 3nfw n HIS 122 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.34 176.68 3nfw s ASP 123 N -6.91 -0.51 -0.02 0.26 -1.08 -1.20 -5.00 116.67 102.21 3nfw s ASP 123 Ca -0.36 -0.09 0.00 0.00 -0.52 0.00 0.00 52.55 51.57 3nfw s ASP 123 Cb 0.11 0.61 0.02 0.00 -1.46 0.00 0.00 42.92 42.20 3nfw s ASP 123 CO 0.56 -1.01 0.01 -0.69 0.52 0.00 0.00 175.17 174.56 3nfw s VAL 124 N -3.75 0.03 0.09 1.11 1.01 -1.26 -1.27 120.40 116.35 3nfw s VAL 124 Ca 0.03 0.11 0.07 0.00 0.00 0.00 0.00 61.98 62.19 3nfw s VAL 124 Cb -0.02 -0.11 -0.03 0.00 0.00 0.00 0.00 36.38 36.22 3nfw s VAL 124 CO -0.10 0.08 -0.17 -1.00 0.00 0.00 0.00 175.10 173.91 3nfw s HIS 125 N 0.73 1.50 0.21 5.22 3.76 -0.21 -5.00 115.29 121.50 3nfw s HIS 125 Ca -0.06 -0.45 -0.30 0.00 -0.15 0.00 0.00 55.06 54.10 3nfw s HIS 125 Cb -0.09 -0.82 -0.09 0.00 1.11 0.00 0.00 32.58 32.68 3nfw s HIS 125 CO -0.02 0.14 1.34 0.34 -0.85 0.00 0.00 174.74 175.68 3nfw s ASP 126 N -1.89 6.85 -0.34 1.40 2.15 -1.26 -1.06 116.67 122.52 3nfw s ASP 126 Ca 0.03 2.45 0.16 0.00 0.43 0.00 0.00 52.55 55.62 3nfw s ASP 126 Cb -0.10 -2.61 0.46 0.00 -0.30 0.00 0.00 42.92 40.37 3nfw s ASP 126 CO 0.03 -0.56 0.99 0.61 -0.17 0.00 0.00 175.17 176.07 3nfw n GLY 127 N 2.33 2.38 7.00 2.66 0.00 -0.21 -4.75 105.19 114.61 3nfw n GLY 127 Ca 0.06 -1.56 0.00 0.00 0.00 0.00 0.00 46.02 44.53 3nfw n GLY 127 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3nfw n GLY 128 N -0.17 2.15 0.43 -0.02 0.00 -1.26 -2.30 105.19 104.02 3nfw n GLY 128 Ca 0.15 -0.33 0.11 0.00 0.00 0.00 0.00 46.02 45.95 3nfw n GLY 128 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3nfw n ASP 129 N 9.47 1.30 -4.48 1.61 5.68 -1.26 -4.90 116.55 123.96 3nfw n ASP 129 Ca 0.00 -1.62 -0.23 0.00 -0.50 0.00 0.00 54.79 52.43 3nfw n ASP 129 Cb 0.00 -0.07 -0.10 0.00 -1.14 0.00 0.00 41.12 39.80 3nfw n ASP 129 CO 0.00 0.00 0.00 -1.00 -1.33 0.00 0.00 177.20 174.87 3nfw s HIS 130 N -1.85 2.14 0.23 2.11 3.76 -0.97 -1.67 115.29 119.04 3nfw s HIS 130 Ca 0.32 -0.68 0.05 0.00 -0.15 0.00 0.00 55.06 54.60 3nfw s HIS 130 Cb 0.17 -1.29 -0.03 0.00 1.11 0.00 0.00 32.58 32.54 3nfw s HIS 130 CO 0.26 0.35 0.35 -0.06 -0.85 0.00 0.00 174.74 174.79 3nfw s PHE 131 N -2.91 3.45 -0.22 1.40 0.08 -0.56 -1.04 117.98 118.19 3nfw s PHE 131 Ca 0.32 -0.00 -0.03 0.00 0.12 0.00 0.00 56.93 57.33 3nfw s PHE 131 Cb 0.05 -1.58 -0.00 0.00 -0.57 0.00 0.00 43.02 40.91 3nfw s PHE 131 CO 0.14 0.45 -0.06 0.08 -0.10 0.00 0.00 175.22 175.73 3nfw s VAL 132 N -1.96 3.17 -0.18 -0.44 1.01 -0.22 -3.60 120.40 118.19 3nfw s VAL 132 Ca 0.34 -0.60 -0.03 0.00 0.00 0.00 0.00 61.98 61.68 3nfw s VAL 132 Cb -0.09 -2.45 -0.02 0.00 0.00 0.00 0.00 36.38 33.81 3nfw s VAL 132 CO 0.29 0.41 -0.04 -0.69 0.00 0.00 0.00 175.10 175.07 3nfw s VAL 133 N 1.44 3.66 -0.03 2.92 1.01 -0.44 -1.04 120.40 127.92 3nfw s VAL 133 Ca 0.05 -0.43 -0.13 0.00 0.00 0.00 0.00 61.98 61.47 3nfw s VAL 133 Cb -0.14 -2.62 -0.05 0.00 0.00 0.00 0.00 36.38 33.57 3nfw s VAL 133 CO -0.05 0.47 0.35 -0.36 0.00 0.00 0.00 175.10 175.51 3nfw s PHE 134 N 0.77 3.69 -0.06 5.22 0.08 -0.40 -1.81 117.98 125.47 3nfw s PHE 134 Ca -0.02 0.88 0.06 0.00 0.12 0.00 0.00 56.93 57.97 3nfw s PHE 134 Cb -0.15 -2.22 -0.01 0.00 -0.57 0.00 0.00 43.02 40.07 3nfw s PHE 134 CO 0.02 0.64 -0.23 0.20 -0.10 0.00 0.00 175.22 175.75 3nfw s GLY 135 N -0.97 1.34 -0.17 4.36 0.00 -0.12 -0.94 107.32 110.83 3nfw s GLY 135 Ca 0.22 -1.04 -0.24 0.00 0.00 0.00 0.00 44.72 43.65 3nfw s GLY 135 CO 0.11 -0.67 0.79 1.25 0.00 0.00 0.00 173.10 174.58 3nfw s LYS 136 N -0.26 4.29 -0.18 2.90 2.20 -0.29 -1.91 119.74 126.48 3nfw s LYS 136 Ca -0.00 0.94 -0.29 0.00 -0.36 0.00 0.00 55.97 56.25 3nfw s LYS 136 Cb -0.13 -3.57 -0.00 0.00 -1.51 0.00 0.00 37.83 32.62 3nfw s LYS 136 CO 0.03 -0.29 1.12 0.08 -0.36 0.00 0.00 175.35 175.93 3nfw s VAL 137 N 2.03 4.53 -0.12 4.02 1.01 -0.81 -2.05 120.40 129.01 3nfw s VAL 137 Ca 0.37 1.84 0.17 0.00 0.00 0.00 0.00 61.98 64.36 3nfw s VAL 137 Cb -0.16 -4.19 -0.25 0.00 0.00 0.00 0.00 36.38 31.78 3nfw s VAL 137 CO 0.12 -0.13 0.19 1.41 0.00 0.00 0.00 175.10 176.69 3nfw n HIS 138 N 6.19 0.00 -3.57 5.22 8.25 -0.14 -4.91 115.22 126.27 3nfw n HIS 138 Ca 0.12 0.00 -0.16 0.00 -0.26 0.00 0.00 57.72 57.42 3nfw n HIS 138 Cb 0.46 -0.72 -0.06 0.00 1.12 0.00 0.00 29.99 30.79 3nfw n HIS 138 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 3nfw s GLY 139 N -4.83 -0.48 0.07 -1.41 0.00 -1.09 -5.01 107.32 94.56 3nfw s GLY 139 Ca -0.08 1.01 -0.18 0.00 0.00 0.00 0.00 44.72 45.47 3nfw s GLY 139 CO 0.75 0.69 0.43 0.48 0.00 0.00 0.00 173.10 175.45 3nfw s LEU 140 N -1.38 0.32 -0.19 0.66 2.34 -1.26 -0.77 118.68 118.40 3nfw s LEU 140 Ca -0.10 -0.08 -0.19 0.00 0.06 0.00 0.00 54.13 53.82 3nfw s LEU 140 Cb -0.01 1.84 0.05 0.00 -0.56 0.00 0.00 46.19 47.51 3nfw s LEU 140 CO 0.07 -0.74 0.54 -0.55 -1.06 0.00 0.00 176.35 174.61 3nfw s SER 141 N -2.27 -0.56 -0.16 1.48 0.15 -0.75 -5.03 113.70 106.57 3nfw s SER 141 Ca -0.03 1.05 0.14 0.00 0.70 0.00 0.00 55.95 57.82 3nfw s SER 141 Cb 0.00 1.07 0.35 0.00 -1.71 0.00 0.00 66.02 65.73 3nfw s SER 141 CO -0.06 -0.21 1.18 -1.84 1.20 0.00 0.00 173.24 173.52 3nfw n GLU 142 N 2.69 1.29 -4.28 5.44 0.28 -1.26 -1.53 120.64 123.26 3nfw n GLU 142 Ca -0.14 -2.84 -0.24 0.00 -0.16 0.00 0.00 57.16 53.79 3nfw n GLU 142 Cb 0.56 -1.40 -0.12 0.00 1.43 0.00 0.00 31.44 31.90 3nfw n GLU 142 CO 0.00 0.00 0.00 0.14 -0.16 0.00 0.00 177.13 177.11 3nfw s VAL 143 N -2.72 1.68 0.33 3.84 -7.23 -1.26 -3.98 120.40 111.06 3nfw s VAL 143 Ca 0.34 -1.54 -0.28 0.00 -1.81 0.00 0.00 61.98 58.69 3nfw s VAL 143 Cb 0.32 -1.53 -0.13 0.00 0.56 0.00 0.00 36.38 35.60 3nfw s VAL 143 CO -0.04 -0.08 1.23 -2.65 -0.31 0.00 0.00 175.10 173.26 3nfw n PRO 144 N 1.08 1.97 -2.17 4.82 -0.02 -1.26 -5.01 135.00 134.41 3nfw n PRO 144 Ca -0.19 0.69 -0.42 0.00 -2.02 0.00 0.00 63.50 61.56 3nfw n PRO 144 Cb 0.54 -2.24 -0.03 0.00 -0.02 0.00 0.00 33.50 31.75 3nfw n PRO 144 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 3nfw s GLU 145 N -1.83 4.32 0.19 -0.52 2.12 -1.26 -4.97 118.70 116.75 3nfw s GLU 145 Ca 0.56 2.06 0.11 0.00 0.36 0.00 0.00 54.97 58.06 3nfw s GLU 145 Cb -0.59 -3.29 -0.04 0.00 0.26 0.00 0.00 34.13 30.46 3nfw s GLU 145 CO 0.62 -0.45 -0.19 0.50 -0.54 0.00 0.00 175.26 175.19 3nfw s ARG 146 N 1.26 1.70 0.14 4.30 3.52 -1.26 -5.10 118.95 123.51 3nfw s ARG 146 Ca 0.65 -1.45 -0.35 0.00 -0.13 0.00 0.00 55.73 54.45 3nfw s ARG 146 Cb -0.36 -1.95 -0.16 0.00 -1.56 0.00 0.00 34.95 30.93 3nfw s ARG 146 CO 0.30 0.41 1.35 0.36 -0.81 0.00 0.00 175.30 176.90 3nfw n LYS 147 N 0.16 1.44 -2.54 5.12 2.85 -1.26 -4.82 118.16 119.12 3nfw n LYS 147 Ca -0.12 0.52 -0.41 0.00 -1.05 0.00 0.00 58.31 57.25 3nfw n LYS 147 Cb 0.56 -2.15 -0.01 0.00 -0.65 0.00 0.00 35.03 32.78 3nfw n LYS 147 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 177.40 176.10 3nfw s PRO 148 N 0.24 3.80 -0.40 -1.58 0.04 -1.26 -4.83 135.00 131.00 3nfw s PRO 148 Ca 0.79 -1.77 0.01 0.00 0.04 0.00 0.00 61.00 60.07 3nfw s PRO 148 Cb -0.84 -5.48 0.13 0.00 0.04 0.00 0.00 34.50 28.35 3nfw s PRO 148 CO 0.47 -2.38 0.21 1.03 0.04 0.00 0.00 177.00 176.36 3nfw s ARG 149 N 4.55 1.08 0.41 4.56 1.81 -1.26 -5.06 118.95 125.04 3nfw s ARG 149 Ca 0.54 -1.74 -0.23 0.00 -1.72 0.00 0.00 55.73 52.58 3nfw s ARG 149 Cb 0.03 -2.13 -0.09 0.00 -0.45 0.00 0.00 34.95 32.30 3nfw s ARG 149 CO 0.05 -1.13 1.01 -1.25 -0.68 0.00 0.00 175.30 173.30 3nfw s PRO 150 N 0.69 4.16 -0.01 3.54 0.04 -1.26 -1.08 135.00 141.08 3nfw s PRO 150 Ca 0.16 1.36 -0.30 0.00 0.04 0.00 0.00 61.00 62.26 3nfw s PRO 150 Cb -0.23 -2.40 -0.05 0.00 0.04 0.00 0.00 34.50 31.86 3nfw s PRO 150 CO -0.04 -0.12 1.32 -1.17 0.04 0.00 0.00 177.00 177.03 3nfw s LEU 151 N -2.86 4.31 0.22 -3.56 2.96 -0.82 -4.27 118.68 114.66 3nfw s LEU 151 Ca 0.60 2.02 0.08 0.00 -0.22 0.00 0.00 54.13 56.61 3nfw s LEU 151 Cb -0.17 -3.56 -0.04 0.00 0.50 0.00 0.00 46.19 42.91 3nfw s LEU 151 CO 0.22 -0.66 0.03 -0.76 -1.32 0.00 0.00 176.35 173.87 3nfw s LEU 152 N 2.18 3.36 -0.09 -0.68 1.43 -0.78 -3.13 118.68 120.97 3nfw s LEU 152 Ca 0.61 -0.45 0.00 0.00 -1.03 0.00 0.00 54.13 53.26 3nfw s LEU 152 Cb -0.29 -1.95 0.02 0.00 0.03 0.00 0.00 46.19 44.00 3nfw s LEU 152 CO 0.25 0.04 -0.07 0.12 0.23 0.00 0.00 176.35 176.92 3nfw s PHE 153 N -2.00 1.24 -0.15 0.29 5.36 0.06 -1.57 117.98 121.21 3nfw s PHE 153 Ca 0.30 -0.53 -0.07 0.00 -0.96 0.00 0.00 56.93 55.67 3nfw s PHE 153 Cb -0.08 -1.05 0.06 0.00 -0.34 0.00 0.00 43.02 41.62 3nfw s PHE 153 CO 0.20 -0.39 0.35 -0.47 -1.46 0.00 0.00 175.22 173.45 3nfw s TYR 154 N 1.43 -0.55 -1.52 10.12 5.04 -0.13 -2.23 117.35 129.51 3nfw s TYR 154 Ca -0.01 1.17 -0.12 0.00 -2.44 0.00 0.00 57.07 55.67 3nfw s TYR 154 Cb -0.13 0.17 0.08 0.00 0.35 0.00 0.00 41.96 42.43 3nfw s TYR 154 CO -0.04 -0.35 0.90 0.54 -1.34 0.00 0.00 175.55 175.26 3nfw n ARG 155 N 4.68 -5.11 -1.00 4.97 1.74 -0.37 -1.85 116.66 119.72 3nfw n ARG 155 Ca -0.18 0.57 -0.00 0.00 -0.77 0.00 0.00 57.85 57.47 3nfw n ARG 155 Cb 0.53 -5.37 -0.00 0.00 -1.02 0.00 0.00 32.46 26.60 3nfw n ARG 155 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3nfw n GLY 156 N -1.66 0.43 3.24 -0.13 0.00 -1.26 -5.03 105.19 100.78 3nfw n GLY 156 Ca -0.01 -0.01 -0.20 0.00 0.00 0.00 0.00 46.02 45.80 3nfw n GLY 156 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3nfw s GLU 157 N -0.29 1.00 0.41 1.61 2.02 -0.77 -5.15 118.70 117.53 3nfw s GLU 157 Ca 0.00 -1.12 -0.23 0.00 0.02 0.00 0.00 54.97 53.64 3nfw s GLU 157 Cb 0.00 -1.06 -0.09 0.00 0.10 0.00 0.00 34.13 33.08 3nfw s GLU 157 CO 0.00 0.23 1.02 0.71 0.02 0.00 0.00 175.26 177.24 3nfw s TYR 158 N -1.50 3.26 0.00 1.61 2.02 -1.26 -0.95 117.35 120.52 3nfw s TYR 158 Ca 0.05 1.64 0.00 0.00 -0.37 0.00 0.00 57.07 58.38 3nfw s TYR 158 Cb -0.08 -3.06 0.00 0.00 -0.40 0.00 0.00 41.96 38.42 3nfw s TYR 158 CO 0.03 -0.52 0.00 -2.37 -1.57 0.00 0.00 175.55 171.13 3nfw n THR 159 N -0.27 0.00 -3.92 -0.71 5.66 -0.61 -4.91 114.28 109.52 3nfw n THR 159 Ca 0.06 0.00 -0.09 0.00 -3.05 0.00 0.00 64.05 60.97 3nfw n THR 159 Cb 0.51 0.00 -0.02 0.00 -1.55 0.00 0.00 70.33 69.27 3nfw n THR 159 CO 0.00 0.00 0.00 -0.83 -3.05 0.00 0.00 175.07 171.19 3nfw s GLY 160 N -0.82 0.46 0.55 1.09 0.00 -1.26 -1.87 107.32 105.46 3nfw s GLY 160 Ca 0.00 -0.78 -0.10 0.00 0.00 0.00 0.00 44.72 43.84 3nfw s GLY 160 CO 0.00 -0.44 0.93 -0.26 0.00 0.00 0.00 173.10 173.33 3nfw s ILE 161 N -3.33 4.75 -0.50 0.90 -4.36 -1.26 -5.00 121.20 112.41 3nfw s ILE 161 Ca 0.18 0.70 -0.17 0.00 -0.26 0.00 0.00 60.65 61.10 3nfw s ILE 161 Cb -0.03 -3.84 0.07 0.00 1.25 0.00 0.00 42.46 39.91 3nfw s ILE 161 CO 0.11 -0.95 0.53 -0.70 0.24 0.00 0.00 174.94 174.17 3nfw s GLU 162 N -4.80 3.05 0.60 0.37 2.56 -1.26 -5.00 118.70 114.24 3nfw s GLU 162 Ca 0.53 -1.13 0.38 0.00 0.00 0.00 0.00 54.97 54.74 3nfw s GLU 162 Cb -0.11 -4.13 1.92 0.00 2.00 0.00 0.00 34.13 33.81 3nfw s GLU 162 CO 0.47 -1.16 2.20 -1.00 -0.56 0.00 0.00 175.26 175.20 3nfw h PRO 163 N 8.90 0.00 0.00 4.30 0.13 -1.97 -0.97 132.00 142.40 3nfw h PRO 163 Ca -0.28 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.85 3nfw h PRO 163 Cb 1.10 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.23 3nfw h PRO 163 CO 0.94 0.02 -0.01 0.93 -0.23 0.00 0.00 178.00 179.65 3nfw h GLU 164 N 0.00 0.00 0.00 0.86 5.08 -2.05 -2.44 114.58 116.03 3nfw h GLU 164 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3nfw h GLU 164 Cb 0.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.46 3nfw h GLU 164 CO 0.00 0.01 0.00 1.63 -1.00 0.00 0.00 179.01 179.65 3nfw n LYS 165 N -3.16 0.17 -1.72 2.33 5.02 -0.37 -4.89 118.16 115.55 3nfw n LYS 165 Ca -0.02 0.17 -0.42 0.00 -2.02 0.00 0.00 58.31 56.02 3nfw n LYS 165 Cb 0.13 -1.71 -0.03 0.00 -0.02 0.00 0.00 35.03 33.40 3nfw n LYS 165 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 3nfw s ASN 166 N -4.03 6.31 -0.06 4.39 0.01 -0.92 -4.98 114.94 115.67 3nfw s ASN 166 Ca 0.11 2.46 -0.00 0.00 -0.71 0.00 0.00 52.86 54.72 3nfw s ASN 166 Cb 0.14 -2.53 0.02 0.00 0.41 0.00 0.00 41.25 39.30 3nfw s ASN 166 CO 0.55 -1.19 -0.03 -0.89 -1.51 0.00 0.00 177.10 174.03 3nfw s THR 167 N 5.05 0.49 0.69 1.60 2.01 -1.26 -5.14 115.64 119.08 3nfw s THR 167 Ca 0.88 -0.03 -0.17 0.00 0.31 0.00 0.00 61.69 62.69 3nfw s THR 167 Cb -0.39 -0.57 -0.01 0.00 0.01 0.00 0.00 72.50 71.53 3nfw s THR 167 CO 0.39 0.25 0.99 -2.65 -0.69 0.00 0.00 174.62 172.90 3nfw n PRO 168 N 4.56 0.65 -4.33 4.92 -0.02 -1.26 -5.03 135.00 134.48 3nfw n PRO 168 Ca -0.17 0.27 -0.19 0.00 -2.02 0.00 0.00 63.50 61.39 3nfw n PRO 168 Cb 0.50 -2.23 -0.15 0.00 -0.02 0.00 0.00 33.50 31.60 3nfw n PRO 168 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3nfw s ALA 169 N -1.70 0.76 0.12 3.55 0.00 -1.26 -5.16 121.76 118.07 3nfw s ALA 169 Ca 0.75 -0.30 0.05 0.00 0.00 0.00 0.00 51.96 52.46 3nfw s ALA 169 Cb -0.36 -0.27 -0.04 0.00 0.00 0.00 0.00 23.12 22.45 3nfw s ALA 169 CO 0.48 0.13 0.02 -0.65 0.00 0.00 0.00 175.76 175.75 3nfw s GLN 170 N 0.12 2.57 -0.40 0.00 1.11 -1.26 -4.88 119.66 116.92 3nfw s GLN 170 Ca -0.02 -0.91 0.03 0.00 0.01 0.00 0.00 55.36 54.47 3nfw s GLN 170 Cb -0.07 -2.51 0.16 0.00 -1.01 0.00 0.00 33.01 29.58 3nfw s GLN 170 CO 0.00 0.51 0.37 -1.58 0.01 0.00 0.00 175.29 174.60 3nfw s TRP 171 N -1.50 0.30 -0.09 0.91 0.52 -1.26 -4.99 118.94 112.83 3nfw s TRP 171 Ca 0.27 -1.56 0.28 0.00 0.02 0.00 0.00 56.10 55.11 3nfw s TRP 171 Cb -0.11 -0.62 0.90 0.00 -1.15 0.00 0.00 33.47 32.49 3nfw s TRP 171 CO 0.19 -0.92 1.81 0.00 0.02 0.00 0.00 176.95 178.05 3nfw h ARG 172 N 6.23 0.00 -5.21 4.98 2.47 -2.04 -3.38 114.38 117.43 3nfw h ARG 172 Ca 0.14 0.00 -0.69 0.00 -1.26 0.00 0.00 59.98 58.17 3nfw h ARG 172 Cb 0.99 0.00 -0.15 0.00 -1.65 0.00 0.00 29.97 29.15 3nfw h ARG 172 CO 0.26 0.06 1.28 0.34 0.56 0.00 0.00 179.97 182.47 3nfw s ASP 173 N -5.97 6.78 0.52 7.04 3.68 -1.26 -4.85 116.67 122.60 3nfw s ASP 173 Ca 0.03 -2.32 0.26 0.00 2.13 0.00 0.00 52.55 52.66 3nfw s ASP 173 Cb 0.08 -2.45 1.44 0.00 -1.45 0.00 0.00 42.92 40.53 3nfw s ASP 173 CO 0.61 -1.04 2.08 -2.24 0.13 0.00 0.00 175.17 174.70 3nfw h ASP 174 N 8.27 0.00 0.27 -0.34 2.03 -2.00 -2.98 116.42 121.67 3nfw h ASP 174 Ca 0.25 0.00 -0.11 0.00 -0.73 0.00 0.00 57.03 56.44 3nfw h ASP 174 Cb 0.95 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 39.44 3nfw h ASP 174 CO 1.25 0.12 -0.45 -0.07 -1.03 0.00 0.00 179.24 179.06 3nfw h LEU 175 N 0.00 0.24 -2.94 0.15 3.38 -1.95 -3.19 115.31 111.00 3nfw h LEU 175 Ca -0.00 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.86 3nfw h LEU 175 Cb 0.31 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.00 3nfw h LEU 175 CO 0.02 0.66 0.00 -0.62 0.09 0.00 0.00 178.44 178.58 3nfw n GLU 176 N -4.00 2.89 -1.86 1.13 -0.58 -1.14 -5.06 120.64 112.02 3nfw n GLU 176 Ca -0.02 -2.15 -0.39 0.00 -0.42 0.00 0.00 57.16 54.19 3nfw n GLU 176 Cb 0.50 -1.34 0.03 0.00 -0.57 0.00 0.00 31.44 30.06 3nfw n GLU 176 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3nfw s ALA 177 N -1.25 2.94 0.59 0.62 0.00 -1.17 -4.97 121.76 118.52 3nfw s ALA 177 Ca 0.25 1.30 -0.20 0.00 0.00 0.00 0.00 51.96 53.31 3nfw s ALA 177 Cb 0.15 -3.54 -0.03 0.00 0.00 0.00 0.00 23.12 19.69 3nfw s ALA 177 CO 0.14 -1.22 1.31 -0.06 0.00 0.00 0.00 175.76 175.94 3nfw s PHE 178 N -1.31 2.22 0.46 0.00 0.08 -1.26 -4.91 117.98 113.26 3nfw s PHE 178 Ca 0.68 1.43 0.11 0.00 0.12 0.00 0.00 56.93 59.27 3nfw s PHE 178 Cb -0.39 -3.72 1.05 0.00 -0.57 0.00 0.00 43.02 39.38 3nfw s PHE 178 CO 0.48 -2.82 2.10 -0.07 -0.10 0.00 0.00 175.22 174.80 3nfw h LEU 179 N 1.06 0.24 -2.21 -0.37 3.38 -1.94 -2.61 115.31 112.86 3nfw h LEU 179 Ca -0.51 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.45 3nfw h LEU 179 Cb 1.31 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 42.00 3nfw h LEU 179 CO 0.55 0.18 0.00 0.35 0.09 0.00 0.00 178.44 179.62 3nfw n THR 180 N -4.50 0.56 -2.56 0.22 -2.24 -1.26 -4.92 114.28 99.57 3nfw n THR 180 Ca 0.00 -0.73 -0.42 0.00 -2.27 0.00 0.00 64.05 60.63 3nfw n THR 180 Cb 0.08 0.78 -0.03 0.00 -2.10 0.00 0.00 70.33 69.06 3nfw n THR 180 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3nfw s ALA 181 N -1.44 3.29 -2.51 6.98 0.00 -0.99 -5.24 121.76 121.86 3nfw s ALA 181 Ca 0.39 0.71 0.20 0.00 0.00 0.00 0.00 51.96 53.27 3nfw s ALA 181 Cb 0.22 -3.38 0.16 0.00 0.00 0.00 0.00 23.12 20.12 3nfw s ALA 181 CO 0.31 -0.30 1.14 0.25 0.00 0.00 0.00 175.76 177.16