#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3f1t h PRO 5 N 0.00 0.42 -0.54 -0.53 0.11 -1.99 -1.42 132.00 128.05 3f1t h PRO 5 Ca 0.00 -0.31 -0.02 0.00 0.11 0.00 0.00 66.00 65.77 3f1t h PRO 5 Cb 0.00 0.06 -0.02 0.00 0.11 0.00 0.00 31.00 31.14 3f1t h PRO 5 CO 0.00 0.94 0.24 -0.07 -0.21 0.00 0.00 178.00 178.90 3f1t h LEU 6 N 0.30 0.73 -0.07 2.35 4.07 -1.95 -1.88 115.31 118.85 3f1t h LEU 6 Ca -0.02 -0.15 0.01 0.00 0.08 0.00 0.00 57.88 57.81 3f1t h LEU 6 Cb 1.23 -0.19 -0.01 0.00 1.08 0.00 0.00 40.66 42.77 3f1t h LEU 6 CO 0.12 0.67 -0.02 0.25 -1.08 0.00 0.00 178.44 178.38 3f1t h LEU 7 N 0.73 -0.06 -1.23 1.67 5.85 -1.67 0.31 115.31 120.91 3f1t h LEU 7 Ca 0.18 0.02 -0.03 0.00 0.84 0.00 0.00 57.88 58.90 3f1t h LEU 7 Cb 0.15 0.04 -0.00 0.00 0.37 0.00 0.00 40.66 41.22 3f1t h LEU 7 CO -0.02 -0.02 -0.13 1.05 -0.34 0.00 0.00 178.44 178.98 3f1t h GLU 8 N 0.00 0.00 0.08 1.25 4.11 -1.27 -0.30 114.58 118.45 3f1t h GLU 8 Ca 0.03 0.00 -0.25 0.00 0.07 0.00 0.00 59.36 59.22 3f1t h GLU 8 Cb 0.05 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.32 3f1t h GLU 8 CO -0.07 0.13 -1.02 -0.09 0.07 0.00 0.00 179.01 178.03 3f1t h ARG 9 N 0.00 0.55 -0.81 1.06 2.43 -1.04 -2.82 114.38 113.75 3f1t h ARG 9 Ca -0.00 -0.70 0.07 0.00 -0.81 0.00 0.00 59.98 58.54 3f1t h ARG 9 Cb 0.65 0.22 -0.07 0.00 -0.42 0.00 0.00 29.97 30.36 3f1t h ARG 9 CO 0.02 1.30 0.48 0.00 -1.51 0.00 0.00 179.97 180.25 3f1t h ALA 10 N 0.29 1.13 0.00 2.80 0.00 0.17 -2.03 119.26 121.62 3f1t h ALA 10 Ca -0.15 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.74 3f1t h ALA 10 Cb 1.72 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 19.33 3f1t h ALA 10 CO 0.20 0.16 -0.16 0.00 0.00 0.00 0.00 179.25 179.45 3f1t h ARG 11 N 0.85 0.00 0.13 0.00 3.08 -1.04 -2.25 114.38 115.15 3f1t h ARG 11 Ca 0.37 0.00 -0.30 0.00 0.07 0.00 0.00 59.98 60.13 3f1t h ARG 11 Cb 0.25 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.30 3f1t h ARG 11 CO -0.20 0.16 -1.51 0.00 -1.07 0.00 0.00 179.97 177.35 3f1t h ARG 12 N 0.00 0.27 -0.93 0.04 3.08 -1.19 -1.55 114.38 114.10 3f1t h ARG 12 Ca -0.00 -0.46 0.26 0.00 0.07 0.00 0.00 59.98 59.85 3f1t h ARG 12 Cb 0.41 0.17 -0.14 0.00 0.08 0.00 0.00 29.97 30.50 3f1t h ARG 12 CO 0.02 1.22 0.41 0.35 -1.07 0.00 0.00 179.97 180.90 3f1t h PHE 13 N -0.21 0.66 0.00 3.04 3.04 -1.29 -2.76 116.94 119.42 3f1t h PHE 13 Ca -0.32 0.04 -0.23 0.00 3.98 0.00 0.00 57.97 61.44 3f1t h PHE 13 Cb 1.84 -0.14 -0.04 0.00 2.56 0.00 0.00 35.95 40.17 3f1t h PHE 13 CO 0.12 -0.14 -1.27 1.25 -2.02 0.00 0.00 178.31 176.24 3f1t h LEU 14 N 0.32 0.00 -1.61 0.59 5.85 -1.38 -3.17 115.31 115.91 3f1t h LEU 14 Ca 0.62 0.00 -0.04 0.00 0.84 0.00 0.00 57.88 59.30 3f1t h LEU 14 Cb 1.30 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.32 3f1t h LEU 14 CO -0.60 0.94 -0.21 0.28 -0.34 0.00 0.00 178.44 178.51 3f1t h SER 15 N 0.00 0.00 0.79 1.25 0.02 -0.99 -2.99 113.55 111.63 3f1t h SER 15 Ca -0.13 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.82 3f1t h SER 15 Cb 1.83 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.37 3f1t h SER 15 CO 0.10 0.21 -0.19 0.00 -1.14 0.00 0.00 176.83 175.82 3f1t n ALA 16 N -2.43 2.80 -2.71 3.77 0.00 -1.14 -4.71 120.51 116.09 3f1t n ALA 16 Ca -0.02 -0.20 -0.38 0.00 0.00 0.00 0.00 53.44 52.84 3f1t n ALA 16 Cb 0.29 -1.34 -0.06 0.00 0.00 0.00 0.00 19.45 18.34 3f1t n ALA 16 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3f1t s LEU 17 N -2.98 4.30 -0.07 0.00 1.02 -1.13 -5.02 118.68 114.80 3f1t s LEU 17 Ca 0.13 0.93 -0.05 0.00 0.02 0.00 0.00 54.13 55.16 3f1t s LEU 17 Cb 0.18 -2.80 -0.03 0.00 0.02 0.00 0.00 46.19 43.56 3f1t s LEU 17 CO 0.59 -0.02 0.24 0.08 0.02 0.00 0.00 176.35 177.26 3f1t h ARG 18 N 6.65 -0.19 -0.99 1.70 -0.00 -1.87 -3.14 114.38 116.54 3f1t h ARG 18 Ca -0.41 0.01 0.27 0.00 -0.00 0.00 0.00 59.98 59.85 3f1t h ARG 18 Cb 1.18 0.04 -0.13 0.00 -0.00 0.00 0.00 29.97 31.06 3f1t h ARG 18 CO 0.75 -0.13 0.55 1.25 -0.00 0.00 0.00 179.97 182.40 3f1t h HIS 19 N -0.97 0.92 -0.41 4.08 2.76 -1.97 0.12 115.15 119.68 3f1t h HIS 19 Ca -0.02 0.04 -0.04 0.00 -2.20 0.00 0.00 60.37 58.15 3f1t h HIS 19 Cb 0.15 -0.25 -0.02 0.00 1.55 0.00 0.00 27.41 28.84 3f1t h HIS 19 CO 0.00 -0.04 0.09 0.00 -1.30 0.00 0.00 177.93 176.68 3f1t h GLN 21 N 0.60 0.31 -0.62 0.00 1.08 -0.74 0.01 115.11 115.77 3f1t h GLN 21 Ca 0.14 -0.25 -0.09 0.00 -1.45 0.00 0.00 58.65 57.01 3f1t h GLN 21 Cb 0.24 0.05 -0.02 0.00 -0.05 0.00 0.00 27.48 27.69 3f1t h GLN 21 CO -0.00 0.88 0.05 0.28 -0.95 0.00 0.00 178.83 179.09 3f1t h VAL 22 N 0.22 1.26 0.00 -0.54 2.07 -0.98 -1.72 116.25 116.56 3f1t h VAL 22 Ca -0.02 -1.08 -0.02 0.00 0.82 0.00 0.00 66.70 66.40 3f1t h VAL 22 Cb 1.24 0.73 -0.00 0.00 -1.52 0.00 0.00 31.29 31.74 3f1t h VAL 22 CO 0.11 0.40 -0.08 -0.07 0.02 0.00 0.00 177.57 177.95 3f1t h LEU 23 N 0.97 0.00 0.97 2.57 4.07 -0.89 -3.47 115.31 119.53 3f1t h LEU 23 Ca 0.18 0.00 -0.20 0.00 0.08 0.00 0.00 57.88 57.95 3f1t h LEU 23 Cb 0.49 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.24 3f1t h LEU 23 CO 0.02 0.08 -0.27 0.61 -1.08 0.00 0.00 178.44 177.81 3f1t n GLY 24 N -0.51 0.02 3.77 0.83 0.00 -0.13 -4.40 105.19 104.77 3f1t n GLY 24 Ca -0.01 -0.43 -0.41 0.00 0.00 0.00 0.00 46.02 45.17 3f1t n GLY 24 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3f1t n LEU 25 N -1.64 4.75 -4.21 0.99 4.32 -0.51 -4.44 117.00 116.26 3f1t n LEU 25 Ca -0.09 1.21 -0.14 0.00 -0.02 0.00 0.00 56.01 56.97 3f1t n LEU 25 Cb 0.58 -1.62 -0.10 0.00 -1.62 0.00 0.00 43.42 40.65 3f1t n LEU 25 CO 0.17 0.19 -0.41 0.42 -1.22 0.00 0.00 177.39 176.54 3f1t s THR 26 N -0.85 1.04 -0.48 -5.08 -4.23 -0.83 -4.86 115.64 100.34 3f1t s THR 26 Ca 0.56 -1.88 -0.24 0.00 -1.18 0.00 0.00 61.69 58.95 3f1t s THR 26 Cb -0.47 -1.64 0.03 0.00 1.34 0.00 0.00 72.50 71.76 3f1t s THR 26 CO 0.60 -0.68 0.86 -0.69 -0.54 0.00 0.00 174.62 174.17 3f1t s VAL 27 N -2.99 4.54 -0.05 2.29 1.01 -1.26 0.18 120.40 124.12 3f1t s VAL 27 Ca 0.12 0.46 -0.25 0.00 0.00 0.00 0.00 61.98 62.30 3f1t s VAL 27 Cb 0.01 -4.41 -0.20 0.00 0.00 0.00 0.00 36.38 31.77 3f1t s VAL 27 CO -0.00 -0.86 1.09 -0.33 0.00 0.00 0.00 175.10 175.01 3f1t h GLU 28 N 9.09 -0.06 -3.47 2.72 4.39 -0.93 -3.48 114.58 122.85 3f1t h GLU 28 Ca -0.25 0.00 -0.13 0.00 0.34 0.00 0.00 59.36 59.32 3f1t h GLU 28 Cb 1.08 0.01 -0.20 0.00 -0.10 0.00 0.00 28.75 29.55 3f1t h GLU 28 CO 1.01 0.50 -0.44 0.00 -1.16 0.00 0.00 179.01 178.93 3f1t s ALA 29 N -3.80 -0.38 -0.26 3.43 0.00 -0.94 -5.00 121.76 114.80 3f1t s ALA 29 Ca -0.16 -0.13 -0.10 0.00 0.00 0.00 0.00 51.96 51.57 3f1t s ALA 29 Cb 0.01 0.15 0.10 0.00 0.00 0.00 0.00 23.12 23.38 3f1t s ALA 29 CO 0.63 -0.26 0.57 0.00 0.00 0.00 0.00 175.76 176.71 3f1t s ALA 30 N -1.73 -1.69 0.00 0.00 0.00 -1.26 -0.97 121.76 116.11 3f1t s ALA 30 Ca -0.12 2.06 0.00 0.00 0.00 0.00 0.00 51.96 53.91 3f1t s ALA 30 Cb -0.05 -1.52 0.00 0.00 0.00 0.00 0.00 23.12 21.54 3f1t s ALA 30 CO 0.00 -0.73 0.00 -0.40 0.00 0.00 0.00 175.76 174.63 3f1t n ASP 31 N 5.14 0.00 0.22 0.00 5.68 -1.05 -4.36 116.55 122.17 3f1t n ASP 31 Ca -0.13 -0.68 0.12 0.00 -0.50 0.00 0.00 54.79 53.60 3f1t n ASP 31 Cb 0.51 0.00 0.71 0.00 -1.14 0.00 0.00 41.12 41.21 3f1t n ASP 31 CO 0.00 0.00 0.00 1.05 -1.33 0.00 0.00 177.20 176.92 3f1t h GLU 32 N 0.00 0.00 -0.14 0.11 -0.00 -2.00 -2.66 114.58 109.89 3f1t h GLU 32 Ca 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 59.36 59.31 3f1t h GLU 32 Cb 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 28.75 28.74 3f1t h GLU 32 CO 0.00 0.00 -0.14 1.57 -0.00 0.00 0.00 179.01 180.44 3f1t h LYS 33 N 0.00 0.23 0.00 1.06 5.09 -1.95 -3.49 116.57 117.52 3f1t h LYS 33 Ca 0.05 -0.05 0.00 0.00 0.09 0.00 0.00 60.65 60.74 3f1t h LYS 33 Cb 0.22 -0.03 0.00 0.00 0.10 0.00 0.00 32.23 32.52 3f1t h LYS 33 CO -0.00 0.38 0.00 0.41 -2.09 0.00 0.00 179.45 178.15 3f1t n GLY 34 N -0.84 0.48 3.01 0.07 0.00 -1.00 -4.73 105.19 102.17 3f1t n GLY 34 Ca -0.01 -1.77 -0.23 0.00 0.00 0.00 0.00 46.02 44.01 3f1t n GLY 34 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3f1t s LEU 35 N 0.00 1.65 -0.18 0.99 2.96 0.72 -2.54 118.68 122.29 3f1t s LEU 35 Ca 0.00 -0.25 -0.01 0.00 -0.22 0.00 0.00 54.13 53.65 3f1t s LEU 35 Cb 0.00 -0.70 -0.00 0.00 0.50 0.00 0.00 46.19 45.98 3f1t s LEU 35 CO 0.00 0.04 -0.12 -0.89 -1.32 0.00 0.00 176.35 174.06 3f1t s THR 36 N 0.52 2.87 0.10 3.68 2.01 -0.14 -1.09 115.64 123.59 3f1t s THR 36 Ca -0.10 -0.68 0.07 0.00 0.31 0.00 0.00 61.69 61.29 3f1t s THR 36 Cb -0.13 -2.25 -0.04 0.00 0.01 0.00 0.00 72.50 70.08 3f1t s THR 36 CO 0.02 0.49 -0.09 -0.76 -0.69 0.00 0.00 174.62 173.58 3f1t s LEU 37 N 1.10 3.07 -0.08 4.42 1.02 0.96 -0.26 118.68 128.90 3f1t s LEU 37 Ca 0.00 -0.37 -0.00 0.00 0.02 0.00 0.00 54.13 53.78 3f1t s LEU 37 Cb -0.14 -1.86 -0.03 0.00 0.02 0.00 0.00 46.19 44.18 3f1t s LEU 37 CO -0.03 0.18 -0.06 -0.60 0.02 0.00 0.00 176.35 175.86 3f1t s ARG 38 N -2.21 2.92 -0.30 1.70 3.52 0.13 -0.94 118.95 123.77 3f1t s ARG 38 Ca 0.22 -0.53 0.01 0.00 -0.13 0.00 0.00 55.73 55.30 3f1t s ARG 38 Cb -0.11 -2.66 0.07 0.00 -1.56 0.00 0.00 34.95 30.69 3f1t s ARG 38 CO 0.14 0.60 -0.03 -1.17 -0.81 0.00 0.00 175.30 174.03 3f1t s LEU 39 N -0.62 3.93 0.29 -0.88 2.96 0.76 -1.97 118.68 123.14 3f1t s LEU 39 Ca 0.09 -1.52 -0.29 0.00 -0.22 0.00 0.00 54.13 52.19 3f1t s LEU 39 Cb -0.12 -1.63 -0.10 0.00 0.50 0.00 0.00 46.19 44.84 3f1t s LEU 39 CO 0.02 -0.27 1.39 -2.16 -1.32 0.00 0.00 176.35 174.01 3f1t s PRO 40 N 1.12 4.29 0.41 0.98 0.04 -1.26 -1.35 135.00 139.24 3f1t s PRO 40 Ca -0.03 2.28 0.07 0.00 0.04 0.00 0.00 61.00 63.36 3f1t s PRO 40 Cb -0.20 -3.09 0.87 0.00 0.04 0.00 0.00 34.50 32.12 3f1t s PRO 40 CO -0.04 -0.33 2.05 0.10 0.04 0.00 0.00 177.00 178.82 3f1t h TYR 41 N 4.30 0.52 -0.11 0.56 -0.00 -1.92 -2.96 116.97 117.36 3f1t h TYR 41 Ca -0.47 0.01 -0.02 0.00 0.00 0.00 0.00 58.73 58.25 3f1t h TYR 41 Cb 1.22 -0.18 -0.01 0.00 0.00 0.00 0.00 36.73 37.77 3f1t h TYR 41 CO 0.58 0.32 -0.05 0.66 -0.00 0.00 0.00 178.16 179.68 3f1t h SER 42 N 0.55 0.14 0.17 0.10 4.64 -1.94 -1.47 113.55 115.74 3f1t h SER 42 Ca 0.16 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.47 3f1t h SER 42 Cb -0.02 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 62.03 3f1t h SER 42 CO -0.04 0.21 -0.13 0.00 -0.87 0.00 0.00 176.83 176.01 3f1t n GLN 43 N -4.40 1.08 -0.00 4.77 1.13 -1.12 -3.53 117.38 115.31 3f1t n GLN 43 Ca -0.01 -0.56 0.07 0.00 -1.94 0.00 0.00 57.00 54.55 3f1t n GLN 43 Cb 0.18 -1.49 -0.10 0.00 0.11 0.00 0.00 30.24 28.94 3f1t n GLN 43 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3f1t n ALA 44 N -0.47 2.81 -1.69 -1.58 0.00 -0.57 -4.82 120.51 114.19 3f1t n ALA 44 Ca 0.16 -0.35 -0.44 0.00 0.00 0.00 0.00 53.44 52.81 3f1t n ALA 44 Cb 0.32 -0.48 -0.04 0.00 0.00 0.00 0.00 19.45 19.25 3f1t n ALA 44 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 3f1t n ILE 45 N -1.83 0.21 -4.59 0.00 5.41 -1.11 -2.30 119.36 115.14 3f1t n ILE 45 Ca -0.01 -0.04 -0.33 0.00 1.00 0.00 0.00 62.75 63.37 3f1t n ILE 45 Cb 0.33 -1.91 -0.13 0.00 -0.71 0.00 0.00 39.64 37.21 3f1t n ILE 45 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 176.55 176.04 3f1t s ILE 46 N 2.02 3.41 0.00 1.39 2.07 0.03 -4.89 121.20 125.23 3f1t s ILE 46 Ca 0.81 -0.53 0.00 0.00 -1.41 0.00 0.00 60.65 59.51 3f1t s ILE 46 Cb -0.56 -2.46 0.00 0.00 0.13 0.00 0.00 42.46 39.57 3f1t s ILE 46 CO 0.38 0.51 0.00 0.61 -1.91 0.00 0.00 174.94 174.52 3f1t n GLY 47 N 3.58 -1.28 3.70 1.50 0.00 -1.26 -3.78 105.19 107.65 3f1t n GLY 47 Ca -0.18 -1.52 -0.58 0.00 0.00 0.00 0.00 46.02 43.75 3f1t n GLY 47 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3f1t n ASN 48 N 0.17 2.35 0.27 1.61 5.15 -1.26 -4.85 115.26 118.70 3f1t n ASN 48 Ca 0.00 1.05 0.15 0.00 -0.60 0.00 0.00 54.58 55.17 3f1t n ASN 48 Cb 0.00 -1.14 0.75 0.00 -0.53 0.00 0.00 39.78 38.86 3f1t n ASN 48 CO 0.00 0.00 0.00 -0.65 1.40 0.00 0.00 177.26 178.01 3f1t h PRO 49 N 7.42 0.00 0.17 1.20 0.11 -1.96 0.32 132.00 139.25 3f1t h PRO 49 Ca -0.45 0.00 -0.31 0.00 0.11 0.00 0.00 66.00 65.35 3f1t h PRO 49 Cb 1.32 0.00 0.03 0.00 0.11 0.00 0.00 31.00 32.46 3f1t h PRO 49 CO 0.97 0.10 -1.33 0.93 -0.21 0.00 0.00 178.00 178.45 3f1t h GLU 50 N 0.00 0.54 0.47 1.05 3.07 -1.99 -3.35 114.58 114.36 3f1t h GLU 50 Ca -0.00 -0.81 -0.02 0.00 -0.50 0.00 0.00 59.36 58.03 3f1t h GLU 50 Cb 0.38 0.29 0.00 0.00 -0.84 0.00 0.00 28.75 28.58 3f1t h GLU 50 CO 0.01 1.38 -0.22 0.77 -1.40 0.00 0.00 179.01 179.54 3f1t h SER 51 N 0.20 -0.53 -0.16 1.42 0.02 -1.87 -3.49 113.55 109.15 3f1t h SER 51 Ca -0.21 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.76 3f1t h SER 51 Cb 2.02 0.14 0.00 0.00 0.14 0.00 0.00 62.40 64.70 3f1t h SER 51 CO 0.25 -0.28 0.00 0.61 -1.14 0.00 0.00 176.83 176.26 3f1t n GLY 52 N -0.47 1.21 3.65 -3.77 0.00 0.11 -4.88 105.19 101.03 3f1t n GLY 52 Ca -0.08 -0.32 -0.43 0.00 0.00 0.00 0.00 46.02 45.20 3f1t n GLY 52 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3f1t s VAL 53 N -2.16 3.72 0.16 1.61 1.01 -1.25 -4.47 120.40 119.03 3f1t s VAL 53 Ca 0.00 0.85 -0.30 0.00 0.00 0.00 0.00 61.98 62.53 3f1t s VAL 53 Cb 0.00 -3.63 -0.08 0.00 0.00 0.00 0.00 36.38 32.67 3f1t s VAL 53 CO 0.00 -0.16 1.29 0.54 0.00 0.00 0.00 175.10 176.76 3f1t s VAL 54 N 4.47 3.40 -0.00 2.92 0.11 -1.26 -0.79 120.40 129.26 3f1t s VAL 54 Ca 0.70 1.11 -0.28 0.00 -2.93 0.00 0.00 61.98 60.58 3f1t s VAL 54 Cb -0.28 -3.71 -0.04 0.00 -1.53 0.00 0.00 36.38 30.82 3f1t s VAL 54 CO 0.27 0.14 0.90 -2.28 -3.33 0.00 0.00 175.10 170.80 3f1t s HIS 55 N 0.39 3.66 0.33 1.54 5.04 -0.97 -4.87 115.29 120.40 3f1t s HIS 55 Ca 0.58 1.59 0.11 0.00 -1.54 0.00 0.00 55.06 55.79 3f1t s HIS 55 Cb -0.35 -3.02 0.94 0.00 0.04 0.00 0.00 32.58 30.20 3f1t s HIS 55 CO 0.35 0.06 1.71 0.78 -2.34 0.00 0.00 174.74 175.30 3f1t h GLY 56 N 6.59 1.95 1.47 1.59 0.00 -1.93 -1.74 103.07 111.00 3f1t h GLY 56 Ca -0.41 -0.29 -0.00 0.00 0.00 0.00 0.00 47.33 46.63 3f1t h GLY 56 CO 0.74 -0.32 0.32 -1.33 0.00 0.00 0.00 176.54 175.96 3f1t h GLY 57 N 0.50 0.76 1.92 4.60 0.00 -1.97 -0.51 103.07 108.37 3f1t h GLY 57 Ca 0.67 -0.30 -0.14 0.00 0.00 0.00 0.00 47.33 47.56 3f1t h GLY 57 CO -0.52 0.29 -0.63 0.00 0.00 0.00 0.00 176.54 175.69 3f1t h ALA 58 N 1.63 0.91 -0.01 3.60 0.00 -1.67 -2.10 119.26 121.63 3f1t h ALA 58 Ca 0.19 -0.57 -0.19 0.00 0.00 0.00 0.00 54.91 54.35 3f1t h ALA 58 Cb -0.04 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 3f1t h ALA 58 CO -0.04 0.77 -0.83 0.82 0.00 0.00 0.00 179.25 179.97 3f1t h ILE 59 N 0.06 1.48 -0.44 0.00 2.04 -1.15 -0.37 117.51 119.13 3f1t h ILE 59 Ca -0.01 -2.52 -0.03 0.00 1.00 0.00 0.00 64.86 63.31 3f1t h ILE 59 Cb 1.12 2.39 -0.02 0.00 -0.74 0.00 0.00 36.82 39.58 3f1t h ILE 59 CO 0.09 0.74 0.17 0.74 0.00 0.00 0.00 178.15 179.89 3f1t h THR 60 N 0.12 1.20 0.01 -0.27 2.02 -0.98 -2.63 112.91 112.38 3f1t h THR 60 Ca -0.04 -0.63 -0.00 0.00 0.77 0.00 0.00 66.41 66.51 3f1t h THR 60 Cb 1.44 0.80 0.00 0.00 -1.74 0.00 0.00 68.15 68.65 3f1t h THR 60 CO 0.13 0.23 -0.00 0.74 0.37 0.00 0.00 175.52 176.98 3f1t h THR 61 N 0.57 1.05 0.00 3.16 2.02 -1.22 -0.13 112.91 118.35 3f1t h THR 61 Ca 0.15 -0.19 0.00 0.00 0.77 0.00 0.00 66.41 67.14 3f1t h THR 61 Cb 0.20 1.18 0.00 0.00 -1.74 0.00 0.00 68.15 67.79 3f1t h THR 61 CO -0.01 0.05 0.00 -0.11 0.37 0.00 0.00 175.52 175.82 3f1t n LEU 62 N -5.06 0.00 0.00 2.58 7.94 -0.16 -0.69 117.00 121.61 3f1t n LEU 62 Ca -0.07 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.83 3f1t n LEU 62 Cb 0.07 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.02 3f1t n LEU 62 CO 0.33 0.00 0.00 -0.67 -1.11 0.00 0.00 177.39 175.94 3f1t n ASP 64 N -0.33 0.00 -0.09 1.96 2.03 -0.06 -0.58 116.55 119.47 3f1t n ASP 64 Ca 0.00 0.00 -0.12 0.00 0.52 0.00 0.00 54.79 55.19 3f1t n ASP 64 Cb 0.00 0.00 -0.04 0.00 -0.72 0.00 0.00 41.12 40.36 3f1t n ASP 64 CO 0.00 0.00 0.00 0.74 -1.92 0.00 0.00 177.20 176.02 3f1t h THR 65 N 0.00 1.30 -0.16 5.18 2.02 -1.12 0.20 112.91 120.32 3f1t h THR 65 Ca 0.00 -1.27 0.02 0.00 0.77 0.00 0.00 66.41 65.93 3f1t h THR 65 Cb 0.00 1.54 -0.02 0.00 -1.74 0.00 0.00 68.15 67.93 3f1t h THR 65 CO 0.00 0.40 0.03 0.74 0.37 0.00 0.00 175.52 177.06 3f1t h THR 66 N 0.32 0.93 0.02 3.16 2.02 -1.05 -0.14 112.91 118.15 3f1t h THR 66 Ca 0.06 -0.03 0.01 0.00 0.77 0.00 0.00 66.41 67.21 3f1t h THR 66 Cb 0.68 0.82 -0.01 0.00 -1.74 0.00 0.00 68.15 67.91 3f1t h THR 66 CO 0.05 0.02 -0.05 0.00 0.37 0.00 0.00 175.52 175.90 3f1t h GLY 68 N -0.09 -0.03 2.00 0.00 0.00 -0.91 -2.60 103.07 101.44 3f1t h GLY 68 Ca 0.01 0.23 0.00 0.00 0.00 0.00 0.00 47.33 47.57 3f1t h GLY 68 CO -0.04 -0.18 0.00 -2.22 0.00 0.00 0.00 176.54 174.11 3f1t h ILE 69 N -0.17 0.00 0.00 2.60 2.04 -0.91 -2.94 117.51 118.14 3f1t h ILE 69 Ca 0.14 -0.76 0.00 0.00 1.00 0.00 0.00 64.86 65.24 3f1t h ILE 69 Cb 0.38 1.74 0.00 0.00 -0.74 0.00 0.00 36.82 38.21 3f1t h ILE 69 CO -0.35 0.00 0.00 0.77 0.00 0.00 0.00 178.15 178.57 3f1t h SER 70 N 0.00 0.00 -0.04 1.72 4.64 -0.85 -0.59 113.55 118.43 3f1t h SER 70 Ca 0.00 0.00 0.01 0.00 -0.47 0.00 0.00 61.79 61.33 3f1t h SER 70 Cb 0.81 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.90 3f1t h SER 70 CO 0.00 0.00 0.06 0.71 -0.87 0.00 0.00 176.83 176.73 3f1t h THR 71 N 0.00 0.36 0.00 2.95 1.35 -1.60 -0.77 112.91 115.20 3f1t h THR 71 Ca 0.00 0.00 -0.00 0.00 -0.55 0.00 0.00 66.41 65.86 3f1t h THR 71 Cb 0.19 0.95 -0.00 0.00 -1.73 0.00 0.00 68.15 67.56 3f1t h THR 71 CO 0.00 0.00 -0.02 -0.37 -0.25 0.00 0.00 175.52 174.88 3f1t h VAL 72 N 0.00 0.10 0.00 6.82 -1.51 -1.35 0.68 116.25 120.99 3f1t h VAL 72 Ca 0.02 -0.22 -0.01 0.00 -1.23 0.00 0.00 66.70 65.26 3f1t h VAL 72 Cb 0.13 1.19 -0.00 0.00 -2.13 0.00 0.00 31.29 30.48 3f1t h VAL 72 CO -0.00 0.02 -0.07 0.00 -1.23 0.00 0.00 177.57 176.29 3f1t n VAL 74 N -3.34 0.00 -3.74 0.00 0.24 0.14 -4.93 118.33 106.70 3f1t n VAL 74 Ca -0.01 -0.46 -0.37 0.00 -2.04 0.00 0.00 64.34 61.46 3f1t n VAL 74 Cb 0.24 1.01 -0.12 0.00 -1.47 0.00 0.00 33.84 33.50 3f1t n VAL 74 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 3f1t s LEU 75 N -1.52 3.55 0.11 1.34 1.43 -0.63 -5.01 118.68 117.95 3f1t s LEU 75 Ca 0.00 -0.26 -0.20 0.00 -1.03 0.00 0.00 54.13 52.65 3f1t s LEU 75 Cb 0.00 -1.94 -0.08 0.00 0.03 0.00 0.00 46.19 44.20 3f1t s LEU 75 CO 0.00 -0.06 1.73 1.55 0.23 0.00 0.00 176.35 179.80 3f1t h PRO 76 N 8.25 0.26 -6.25 1.29 0.13 -1.91 -3.44 132.00 130.34 3f1t h PRO 76 Ca -0.37 -0.03 -0.51 0.00 -0.87 0.00 0.00 66.00 64.22 3f1t h PRO 76 Cb 1.17 -0.05 -0.01 0.00 0.13 0.00 0.00 31.00 32.23 3f1t h PRO 76 CO 0.58 0.23 -0.34 -0.51 -0.23 0.00 0.00 178.00 177.73 3f1t s ASP 77 N -5.44 6.35 0.10 1.44 1.01 -1.26 -5.04 116.67 113.83 3f1t s ASP 77 Ca -0.13 0.33 -0.31 0.00 0.71 0.00 0.00 52.55 53.15 3f1t s ASP 77 Cb 0.08 -1.98 -0.10 0.00 1.01 0.00 0.00 42.92 41.93 3f1t s ASP 77 CO 0.70 -0.08 1.84 0.12 0.21 0.00 0.00 175.17 177.95 3f1t s PHE 78 N -1.96 2.02 -0.08 4.23 5.36 -1.26 -5.00 117.98 121.29 3f1t s PHE 78 Ca 0.37 -0.07 -0.23 0.00 -0.96 0.00 0.00 56.93 56.05 3f1t s PHE 78 Cb -0.10 -4.17 0.05 0.00 -0.34 0.00 0.00 43.02 38.46 3f1t s PHE 78 CO 0.30 -4.89 0.53 -1.83 -1.46 0.00 0.00 175.22 167.87 3f1t s GLU 79 N 3.04 0.83 -0.18 10.12 -1.05 -1.26 -5.14 118.70 125.06 3f1t s GLU 79 Ca 0.81 0.25 -0.20 0.00 -0.15 0.00 0.00 54.97 55.69 3f1t s GLU 79 Cb -0.45 0.39 -0.03 0.00 -0.44 0.00 0.00 34.13 33.60 3f1t s GLU 79 CO 0.37 -0.22 0.57 0.42 0.95 0.00 0.00 175.26 177.35 3f1t s ILE 80 N -0.85 5.08 -0.38 1.83 1.01 -1.26 -4.94 121.20 121.69 3f1t s ILE 80 Ca -0.09 1.07 -0.09 0.00 0.00 0.00 0.00 60.65 61.54 3f1t s ILE 80 Cb -0.03 -3.89 0.05 0.00 0.01 0.00 0.00 42.46 38.60 3f1t s ILE 80 CO 0.06 0.17 0.19 0.00 0.00 0.00 0.00 174.94 175.36 3f1t n PRO 82 N 4.91 2.29 -1.77 0.00 -0.02 -1.26 -4.91 135.00 134.23 3f1t n PRO 82 Ca -0.11 0.81 -0.42 0.00 -2.02 0.00 0.00 63.50 61.76 3f1t n PRO 82 Cb 0.45 -2.63 -0.02 0.00 -0.02 0.00 0.00 33.50 31.28 3f1t n PRO 82 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 3f1t s THR 83 N -1.18 2.10 -0.23 3.45 2.01 -1.26 -4.47 115.64 116.06 3f1t s THR 83 Ca 0.60 0.08 0.03 0.00 0.31 0.00 0.00 61.69 62.71 3f1t s THR 83 Cb -0.45 -3.05 -0.16 0.00 0.01 0.00 0.00 72.50 68.85 3f1t s THR 83 CO 0.58 0.01 -0.18 0.18 -0.69 0.00 0.00 174.62 174.53 3f1t n LEU 84 N 3.03 2.67 -3.53 4.42 4.77 0.15 -4.96 117.00 123.55 3f1t n LEU 84 Ca 0.12 -0.11 -0.17 0.00 -0.03 0.00 0.00 56.01 55.82 3f1t n LEU 84 Cb 0.37 -0.68 -0.06 0.00 -2.33 0.00 0.00 43.42 40.72 3f1t n LEU 84 CO 0.64 0.84 0.39 1.51 -1.33 0.00 0.00 177.39 179.44 3f1t s ASP 85 N -6.13 -0.60 -0.01 -1.43 -4.77 -1.09 -4.96 116.67 97.68 3f1t s ASP 85 Ca -0.29 0.56 -0.02 0.00 -3.30 0.00 0.00 52.55 49.50 3f1t s ASP 85 Cb 0.08 0.53 0.00 0.00 -1.09 0.00 0.00 42.92 42.43 3f1t s ASP 85 CO 0.55 -0.65 0.05 -0.22 0.70 0.00 0.00 175.17 175.60 3f1t s LEU 86 N -1.43 1.85 -0.04 2.11 2.96 -1.26 -1.55 118.68 121.32 3f1t s LEU 86 Ca -0.09 -0.01 0.02 0.00 -0.22 0.00 0.00 54.13 53.82 3f1t s LEU 86 Cb -0.01 0.20 0.02 0.00 0.50 0.00 0.00 46.19 46.91 3f1t s LEU 86 CO 0.06 -0.09 -0.07 -0.13 -1.32 0.00 0.00 176.35 174.80 3f1t s ARG 87 N -0.32 1.05 -0.05 1.98 1.81 0.17 -4.99 118.95 118.60 3f1t s ARG 87 Ca -0.04 -0.22 0.03 0.00 -1.72 0.00 0.00 55.73 53.78 3f1t s ARG 87 Cb -0.02 -0.97 0.01 0.00 -0.45 0.00 0.00 34.95 33.51 3f1t s ARG 87 CO 0.00 -0.01 -0.12 0.42 -0.68 0.00 0.00 175.30 174.91 3f1t s ILE 88 N 0.67 1.07 -0.18 1.52 1.01 -1.26 -1.99 121.20 122.06 3f1t s ILE 88 Ca -0.11 -0.47 -0.01 0.00 0.00 0.00 0.00 60.65 60.06 3f1t s ILE 88 Cb -0.13 -0.97 0.05 0.00 0.01 0.00 0.00 42.46 41.42 3f1t s ILE 88 CO 0.01 0.33 -0.01 -1.81 0.00 0.00 0.00 174.94 173.46 3f1t s ASP 89 N 0.48 2.86 1.22 3.58 1.01 -0.07 -4.97 116.67 120.78 3f1t s ASP 89 Ca -0.10 -0.73 -0.19 0.00 0.71 0.00 0.00 52.55 52.24 3f1t s ASP 89 Cb -0.14 -0.77 0.28 0.00 1.01 0.00 0.00 42.92 43.30 3f1t s ASP 89 CO 0.03 -0.24 1.03 -1.22 0.21 0.00 0.00 175.17 174.97 3f1t n TYR 90 N 4.95 -3.84 -1.98 4.23 4.01 -1.26 -0.94 117.16 122.32 3f1t n TYR 90 Ca -0.10 -0.93 -0.32 0.00 -0.16 0.00 0.00 57.90 56.39 3f1t n TYR 90 Cb 0.47 -1.05 0.01 0.00 -0.31 0.00 0.00 39.34 38.46 3f1t n TYR 90 CO 0.00 0.00 0.00 -3.38 -0.46 0.00 0.00 176.86 173.02 3f1t s HIS 92 N -2.89 3.23 0.52 -0.72 0.00 -1.08 -4.94 115.29 109.41 3f1t s HIS 92 Ca 0.66 1.44 -0.22 0.00 -3.00 0.00 0.00 55.06 53.95 3f1t s HIS 92 Cb -0.06 -2.88 -0.06 0.00 -4.00 0.00 0.00 32.58 25.58 3f1t s HIS 92 CO 0.50 -0.90 1.28 -1.25 -1.00 0.00 0.00 174.74 173.37 3f1t s PRO 93 N -4.49 3.33 0.42 -0.38 0.04 -1.26 -4.68 135.00 127.99 3f1t s PRO 93 Ca 0.60 2.04 -0.26 0.00 0.04 0.00 0.00 61.00 63.42 3f1t s PRO 93 Cb -0.13 -2.27 -0.09 0.00 0.04 0.00 0.00 34.50 32.05 3f1t s PRO 93 CO 0.43 -0.98 1.37 0.00 0.04 0.00 0.00 177.00 177.87 3f1t s ALA 94 N -1.41 3.27 0.37 8.56 0.00 -1.26 -5.00 121.76 126.29 3f1t s ALA 94 Ca 0.69 1.37 -0.25 0.00 0.00 0.00 0.00 51.96 53.77 3f1t s ALA 94 Cb -0.35 -3.54 -0.09 0.00 0.00 0.00 0.00 23.12 19.13 3f1t s ALA 94 CO 0.42 -1.01 1.04 -1.21 0.00 0.00 0.00 175.76 174.99 3f1t s GLU 95 N -2.32 4.30 0.61 0.00 2.02 -1.26 -4.74 118.70 117.31 3f1t s GLU 95 Ca 0.58 1.52 -0.16 0.00 0.02 0.00 0.00 54.97 56.93 3f1t s GLU 95 Cb -0.41 -2.67 -0.02 0.00 0.10 0.00 0.00 34.13 31.12 3f1t s GLU 95 CO 0.53 -0.02 1.09 -2.14 0.02 0.00 0.00 175.26 174.75 3f1t s PRO 96 N -2.28 3.10 -0.81 0.39 0.02 -1.26 -3.95 135.00 130.21 3f1t s PRO 96 Ca 0.55 1.36 0.00 0.00 0.02 0.00 0.00 61.00 62.92 3f1t s PRO 96 Cb -0.23 -1.99 0.00 0.00 0.02 0.00 0.00 34.50 32.30 3f1t s PRO 96 CO 0.29 -1.01 0.00 0.72 -0.33 0.00 0.00 177.00 176.67 3f1t n HIS 97 N -2.06 0.00 -4.44 6.54 8.25 -1.26 -4.98 115.22 117.26 3f1t n HIS 97 Ca 0.10 0.00 -0.21 0.00 -0.26 0.00 0.00 57.72 57.35 3f1t n HIS 97 Cb 0.52 -1.71 -0.16 0.00 1.12 0.00 0.00 29.99 29.76 3f1t n HIS 97 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 3f1t s LYS 98 N -2.38 1.05 0.69 -0.41 1.02 -1.25 -5.02 119.74 113.45 3f1t s LYS 98 Ca 0.00 -0.34 -0.16 0.00 0.02 0.00 0.00 55.97 55.49 3f1t s LYS 98 Cb 0.00 -0.97 0.02 0.00 -0.52 0.00 0.00 37.83 36.35 3f1t s LYS 98 CO 0.00 0.13 1.18 -0.51 -0.92 0.00 0.00 175.35 175.23 3f1t s ASP 99 N 0.17 4.59 -0.14 2.83 1.01 -1.26 -4.43 116.67 119.44 3f1t s ASP 99 Ca -0.03 2.27 -0.01 0.00 0.71 0.00 0.00 52.55 55.49 3f1t s ASP 99 Cb -0.09 -2.58 -0.02 0.00 1.01 0.00 0.00 42.92 41.24 3f1t s ASP 99 CO 0.01 -1.99 -0.10 -0.69 0.21 0.00 0.00 175.17 172.60 3f1t s VAL 100 N -2.01 3.32 -0.11 -1.27 1.01 -0.46 -4.55 120.40 116.32 3f1t s VAL 100 Ca 0.73 -0.57 -0.03 0.00 0.00 0.00 0.00 61.98 62.11 3f1t s VAL 100 Cb -0.27 -2.41 -0.03 0.00 0.00 0.00 0.00 36.38 33.66 3f1t s VAL 100 CO 0.42 0.51 0.00 -0.31 0.00 0.00 0.00 175.10 175.73 3f1t s TYR 101 N 0.36 3.14 -0.17 5.22 2.02 0.56 -0.17 117.35 128.31 3f1t s TYR 101 Ca -0.09 0.08 -0.02 0.00 -0.37 0.00 0.00 57.07 56.68 3f1t s TYR 101 Cb -0.15 -1.86 -0.01 0.00 -0.40 0.00 0.00 41.96 39.54 3f1t s TYR 101 CO 0.05 0.33 -0.10 0.20 -1.57 0.00 0.00 175.55 174.46 3f1t s GLY 102 N -0.48 1.56 0.03 0.71 0.00 -0.12 -1.12 107.32 107.90 3f1t s GLY 102 Ca 0.08 -1.03 0.04 0.00 0.00 0.00 0.00 44.72 43.82 3f1t s GLY 102 CO 0.02 0.11 -0.08 -0.12 0.00 0.00 0.00 173.10 173.03 3f1t s PHE 103 N 0.89 2.84 0.14 1.90 2.19 -0.36 -0.03 117.98 125.56 3f1t s PHE 103 Ca -0.02 -0.08 -0.14 0.00 0.33 0.00 0.00 56.93 57.01 3f1t s PHE 103 Cb -0.15 -1.56 0.02 0.00 -1.31 0.00 0.00 43.02 40.02 3f1t s PHE 103 CO 0.00 0.38 0.38 0.00 1.83 0.00 0.00 175.22 177.81 3f1t s ALA 104 N -1.05 -0.69 -0.23 11.12 0.00 -0.25 -1.38 121.76 129.28 3f1t s ALA 104 Ca 0.18 -0.30 -0.11 0.00 0.00 0.00 0.00 51.96 51.72 3f1t s ALA 104 Cb -0.11 0.73 0.08 0.00 0.00 0.00 0.00 23.12 23.82 3f1t s ALA 104 CO 0.09 -0.67 0.55 -2.00 0.00 0.00 0.00 175.76 173.73 3f1t s GLU 105 N -3.85 0.53 0.24 0.00 2.12 -0.66 -0.20 118.70 116.88 3f1t s GLU 105 Ca 0.07 1.09 -0.30 0.00 0.36 0.00 0.00 54.97 56.19 3f1t s GLU 105 Cb 0.02 0.23 -0.10 0.00 0.26 0.00 0.00 34.13 34.54 3f1t s GLU 105 CO -0.08 -0.18 1.40 0.00 -0.54 0.00 0.00 175.26 175.87 3f1t n TYR 107 N 2.31 0.00 -3.78 0.00 0.18 -0.01 -4.95 117.16 110.91 3f1t n TYR 107 Ca 0.06 0.00 -0.13 0.00 1.88 0.00 0.00 57.90 59.71 3f1t n TYR 107 Cb 0.41 0.00 -0.13 0.00 -0.38 0.00 0.00 39.34 39.23 3f1t n TYR 107 CO 0.00 0.00 0.00 0.50 -2.08 0.00 0.00 176.86 175.28 3f1t s ARG 108 N -1.67 0.14 -0.09 -3.48 3.52 -1.14 -5.02 118.95 111.20 3f1t s ARG 108 Ca 0.00 0.31 0.03 0.00 -0.13 0.00 0.00 55.73 55.94 3f1t s ARG 108 Cb 0.00 -0.06 0.01 0.00 -1.56 0.00 0.00 34.95 33.34 3f1t s ARG 108 CO 0.00 -0.10 -0.19 0.08 -0.81 0.00 0.00 175.30 174.28 3f1t s VAL 109 N 0.70 1.68 0.26 7.11 1.01 -1.26 -0.32 120.40 129.58 3f1t s VAL 109 Ca -0.05 -0.79 0.06 0.00 0.00 0.00 0.00 61.98 61.20 3f1t s VAL 109 Cb -0.07 -1.48 -0.06 0.00 0.00 0.00 0.00 36.38 34.78 3f1t s VAL 109 CO -0.04 0.48 -0.06 0.28 0.00 0.00 0.00 175.10 175.76 3f1t s THR 110 N 0.53 1.54 0.38 3.92 -1.32 0.78 -5.01 115.64 116.46 3f1t s THR 110 Ca -0.16 -2.12 0.16 0.00 -1.21 0.00 0.00 61.69 58.36 3f1t s THR 110 Cb -0.17 -2.37 0.37 0.00 -1.51 0.00 0.00 72.50 68.82 3f1t s THR 110 CO 0.06 -0.35 1.78 -0.65 -2.21 0.00 0.00 174.62 173.25 3f1t h PRO 111 N 2.35 0.44 0.00 7.08 0.11 -2.00 -3.28 132.00 136.71 3f1t h PRO 111 Ca -0.39 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.69 3f1t h PRO 111 Cb 1.23 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.24 3f1t h PRO 111 CO 0.66 0.29 0.00 0.09 -0.21 0.00 0.00 178.00 178.83 3f1t n ASN 112 N -4.65 0.83 -3.99 -2.05 3.02 -1.26 -4.88 115.26 102.28 3f1t n ASN 112 Ca 0.24 -1.07 -0.20 0.00 -0.03 0.00 0.00 54.58 53.52 3f1t n ASN 112 Cb 0.81 0.00 -0.16 0.00 -0.61 0.00 0.00 39.78 39.82 3f1t n ASN 112 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3f1t s VAL 113 N -0.07 0.77 -0.17 2.41 1.01 -1.24 -1.90 120.40 121.21 3f1t s VAL 113 Ca 0.00 -0.34 -0.01 0.00 0.00 0.00 0.00 61.98 61.62 3f1t s VAL 113 Cb 0.00 -0.69 -0.01 0.00 0.00 0.00 0.00 36.38 35.68 3f1t s VAL 113 CO 0.00 0.25 -0.11 -0.63 0.00 0.00 0.00 175.10 174.61 3f1t s ILE 114 N 0.26 3.04 -0.20 2.22 1.01 0.18 -0.16 121.20 127.56 3f1t s ILE 114 Ca -0.04 -0.63 -0.09 0.00 0.00 0.00 0.00 60.65 59.88 3f1t s ILE 114 Cb -0.09 -2.32 -0.05 0.00 0.01 0.00 0.00 42.46 40.01 3f1t s ILE 114 CO 0.01 0.49 0.12 -0.36 0.00 0.00 0.00 174.94 175.19 3f1t s PHE 115 N 0.92 3.36 0.13 3.97 0.40 0.56 -0.47 117.98 126.85 3f1t s PHE 115 Ca -0.02 0.25 0.06 0.00 -0.60 0.00 0.00 56.93 56.62 3f1t s PHE 115 Cb -0.15 -2.15 -0.04 0.00 0.51 0.00 0.00 43.02 41.19 3f1t s PHE 115 CO -0.00 0.23 -0.13 -0.08 0.70 0.00 0.00 175.22 175.93 3f1t s THR 116 N 0.45 1.32 0.01 0.64 -1.32 0.20 -0.83 115.64 116.11 3f1t s THR 116 Ca 0.07 -1.81 -0.00 0.00 -1.21 0.00 0.00 61.69 58.73 3f1t s THR 116 Cb -0.12 -1.62 -0.01 0.00 -1.51 0.00 0.00 72.50 69.25 3f1t s THR 116 CO -0.01 -0.50 -0.01 -0.60 -2.21 0.00 0.00 174.62 171.29 3f1t s ARG 117 N -2.94 0.15 0.00 7.08 3.52 -0.70 -0.55 118.95 125.52 3f1t s ARG 117 Ca 0.11 -0.30 0.00 0.00 -0.13 0.00 0.00 55.73 55.41 3f1t s ARG 117 Cb -0.03 0.05 0.00 0.00 -1.56 0.00 0.00 34.95 33.41 3f1t s ARG 117 CO 0.03 -0.02 0.00 0.41 -0.81 0.00 0.00 175.30 174.90 3f1t n GLY 118 N 2.36 2.54 3.49 8.12 0.00 0.07 -1.65 105.19 120.11 3f1t n GLY 118 Ca -0.18 -0.82 -0.11 0.00 0.00 0.00 0.00 46.02 44.91 3f1t n GLY 118 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3f1t s PHE 119 N -4.53 -0.47 0.03 1.61 -0.12 -0.48 -1.30 117.98 112.72 3f1t s PHE 119 Ca 0.00 0.24 0.04 0.00 -0.05 0.00 0.00 56.93 57.16 3f1t s PHE 119 Cb 0.00 0.58 -0.04 0.00 -0.63 0.00 0.00 43.02 42.93 3f1t s PHE 119 CO 0.00 -0.87 -0.05 0.00 -0.05 0.00 0.00 175.22 174.26 3f1t s ALA 120 N -3.71 3.12 0.28 1.99 0.00 -0.42 -1.22 121.76 121.80 3f1t s ALA 120 Ca 0.03 -1.06 -0.17 0.00 0.00 0.00 0.00 51.96 50.76 3f1t s ALA 120 Cb -0.02 -1.15 0.01 0.00 0.00 0.00 0.00 23.12 21.97 3f1t s ALA 120 CO -0.10 0.64 0.63 1.52 0.00 0.00 0.00 175.76 178.45 3f1t s TYR 121 N -1.11 0.07 0.00 0.00 -0.85 -0.28 -0.95 117.35 114.24 3f1t s TYR 121 Ca 0.20 -0.51 0.00 0.00 -0.52 0.00 0.00 57.07 56.24 3f1t s TYR 121 Cb -0.11 0.51 0.00 0.00 0.38 0.00 0.00 41.96 42.74 3f1t s TYR 121 CO 0.11 -1.18 0.00 1.04 -1.52 0.00 0.00 175.55 174.00 3f1t n GLN 122 N -0.44 0.00 0.06 -3.49 6.02 -1.26 -0.32 117.38 117.94 3f1t n GLN 122 Ca -0.03 0.00 -0.22 0.00 -0.01 0.00 0.00 57.00 56.74 3f1t n GLN 122 Cb 0.60 0.00 -0.15 0.00 1.02 0.00 0.00 30.24 31.71 3f1t n GLN 122 CO 0.00 0.00 0.00 -0.44 -1.01 0.00 0.00 177.06 175.61 3f1t h ASP 123 N 0.00 0.54 -3.56 1.08 3.32 -1.94 -3.45 116.42 112.41 3f1t h ASP 123 Ca 0.00 -0.92 -0.64 0.00 0.02 0.00 0.00 57.03 55.49 3f1t h ASP 123 Cb 0.00 -0.18 -0.37 0.00 0.22 0.00 0.00 39.33 39.01 3f1t h ASP 123 CO 0.00 1.55 -0.81 -0.62 -1.72 0.00 0.00 179.24 177.64 3f1t s ASP 124 N -7.15 3.81 0.38 6.45 -1.08 -1.26 -4.98 116.67 112.85 3f1t s ASP 124 Ca -0.14 -1.08 0.26 0.00 -0.52 0.00 0.00 52.55 51.07 3f1t s ASP 124 Cb 0.03 -1.39 1.39 0.00 -1.46 0.00 0.00 42.92 41.49 3f1t s ASP 124 CO 0.84 -0.15 1.80 1.55 0.52 0.00 0.00 175.17 179.73 3f1t h PRO 125 N 7.89 0.00 -0.01 4.34 0.13 -1.96 0.16 132.00 142.55 3f1t h PRO 125 Ca -0.26 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.87 3f1t h PRO 125 Cb 1.08 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.21 3f1t h PRO 125 CO 0.49 0.00 -0.15 0.41 -0.23 0.00 0.00 178.00 178.51 3f1t n GLY 126 N -1.16 -0.16 2.71 1.56 0.00 -1.26 -4.09 105.19 102.78 3f1t n GLY 126 Ca -0.01 -0.47 -0.33 0.00 0.00 0.00 0.00 46.02 45.20 3f1t n GLY 126 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3f1t n GLN 127 N -0.09 3.14 -2.02 1.61 6.02 0.56 -5.09 117.38 121.51 3f1t n GLN 127 Ca 0.15 -4.61 -0.41 0.00 -0.01 0.00 0.00 57.00 52.12 3f1t n GLN 127 Cb 0.39 -2.36 -0.02 0.00 1.02 0.00 0.00 30.24 29.27 3f1t n GLN 127 CO 0.00 0.00 0.00 -2.14 -1.01 0.00 0.00 177.06 173.91 3f1t s PRO 128 N -2.41 4.28 0.38 -1.09 0.02 -1.26 -4.67 135.00 130.26 3f1t s PRO 128 Ca 0.35 2.32 0.20 0.00 0.02 0.00 0.00 61.00 63.89 3f1t s PRO 128 Cb 0.08 -3.06 0.29 0.00 0.02 0.00 0.00 34.50 31.84 3f1t s PRO 128 CO 0.01 -0.32 1.57 -0.84 -0.33 0.00 0.00 177.00 177.08 3f1t h ILE 129 N 3.14 0.35 -2.16 2.83 3.07 -1.32 -3.42 117.51 120.00 3f1t h ILE 129 Ca -0.49 -1.45 -0.06 0.00 1.55 0.00 0.00 64.86 64.41 3f1t h ILE 129 Cb 1.23 2.14 -0.19 0.00 -0.27 0.00 0.00 36.82 39.73 3f1t h ILE 129 CO 0.68 0.20 0.15 0.00 -1.05 0.00 0.00 178.15 178.12 3f1t s ALA 130 N -3.15 -1.66 0.06 0.16 0.00 -1.22 -2.63 121.76 113.32 3f1t s ALA 130 Ca 0.05 1.17 0.07 0.00 0.00 0.00 0.00 51.96 53.25 3f1t s ALA 130 Cb 0.06 0.06 -0.04 0.00 0.00 0.00 0.00 23.12 23.21 3f1t s ALA 130 CO 0.69 -0.39 -0.14 -1.01 0.00 0.00 0.00 175.76 174.91 3f1t s HIS 131 N -1.37 2.65 -0.03 0.00 3.76 -0.11 -1.30 115.29 118.88 3f1t s HIS 131 Ca -0.10 -0.20 -0.03 0.00 -0.15 0.00 0.00 55.06 54.58 3f1t s HIS 131 Cb -0.01 -1.46 0.01 0.00 1.11 0.00 0.00 32.58 32.23 3f1t s HIS 131 CO 0.08 0.33 0.09 0.54 -0.85 0.00 0.00 174.74 174.93 3f1t s VAL 132 N -1.03 -0.01 0.02 -0.90 0.11 -0.42 -0.89 120.40 117.28 3f1t s VAL 132 Ca 0.17 0.03 0.04 0.00 -2.93 0.00 0.00 61.98 59.28 3f1t s VAL 132 Cb -0.11 -0.13 -0.01 0.00 -1.53 0.00 0.00 36.38 34.60 3f1t s VAL 132 CO 0.08 0.01 -0.11 0.68 -3.33 0.00 0.00 175.10 172.43 3f1t s VAL 133 N 0.20 0.86 0.04 2.04 -7.23 -0.84 -0.75 120.40 114.72 3f1t s VAL 133 Ca -0.01 -0.72 -0.09 0.00 -1.81 0.00 0.00 61.98 59.34 3f1t s VAL 133 Cb -0.02 -0.77 0.00 0.00 0.56 0.00 0.00 36.38 36.15 3f1t s VAL 133 CO -0.01 0.06 0.20 -0.83 -0.31 0.00 0.00 175.10 174.21 3f1t s GLY 134 N -0.75 0.03 0.03 2.32 0.00 0.29 -0.66 107.32 108.59 3f1t s GLY 134 Ca 0.01 -0.28 0.07 0.00 0.00 0.00 0.00 44.72 44.52 3f1t s GLY 134 CO 0.00 -0.46 -0.18 0.00 0.00 0.00 0.00 173.10 172.47 3f1t s ALA 135 N -2.57 2.59 0.00 3.20 0.00 -0.60 -0.63 121.76 123.75 3f1t s ALA 135 Ca -0.05 -1.17 0.00 0.00 0.00 0.00 0.00 51.96 50.74 3f1t s ALA 135 Cb -0.01 -0.76 0.00 0.00 0.00 0.00 0.00 23.12 22.35 3f1t s ALA 135 CO -0.04 0.57 0.00 1.19 0.00 0.00 0.00 175.76 177.48 3f1t n PHE 136 N 1.66 0.00 -1.97 0.00 3.72 0.38 0.31 117.46 121.56 3f1t n PHE 136 Ca -0.16 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.24 3f1t n PHE 136 Cb 0.52 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.06 3f1t n PHE 136 CO 0.00 0.00 0.00 2.89 -0.05 0.00 0.00 176.76 179.60