#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 1.07 -0.76 1.20 0.11 -2.00 -2.97 132.00 128.65 3f1t h PRO 5 Ca 0.00 -0.30 0.01 0.00 0.11 0.00 0.00 66.00 65.82 3f1t h PRO 5 Cb 0.00 -0.12 -0.04 0.00 0.11 0.00 0.00 31.00 30.96 3f1t h PRO 5 CO 0.00 1.01 0.50 -0.07 -0.21 0.00 0.00 178.00 179.23 3f1t h LEU 6 N 0.99 0.85 -1.25 2.35 4.07 -1.92 -0.85 115.31 119.55 3f1t h LEU 6 Ca 0.19 -0.02 0.01 0.00 0.08 0.00 0.00 57.88 58.14 3f1t h LEU 6 Cb 0.49 -0.21 -0.04 0.00 1.08 0.00 0.00 40.66 41.98 3f1t h LEU 6 CO 0.02 0.61 0.51 0.25 -1.08 0.00 0.00 178.44 178.75 3f1t h LEU 7 N 1.00 0.87 0.13 1.67 5.85 -1.77 0.19 115.31 123.26 3f1t h LEU 7 Ca 0.28 -0.02 -0.30 0.00 0.84 0.00 0.00 57.88 58.69 3f1t h LEU 7 Cb -0.08 -0.22 -0.00 0.00 0.37 0.00 0.00 40.66 40.73 3f1t h LEU 7 CO -0.07 0.63 -1.43 -0.08 -0.34 0.00 0.00 178.44 177.15 3f1t h GLU 8 N 1.03 0.27 -0.32 1.25 4.57 -1.27 -2.39 114.58 117.71 3f1t h GLU 8 Ca 0.28 -0.46 -0.08 0.00 -1.18 0.00 0.00 59.36 57.93 3f1t h GLU 8 Cb -0.10 0.17 -0.01 0.00 -0.16 0.00 0.00 28.75 28.65 3f1t h GLU 8 CO -0.06 1.16 -0.12 0.00 -1.18 0.00 0.00 179.01 178.80 3f1t h ARG 9 N 0.07 0.65 -0.51 1.92 3.08 -1.01 -1.71 114.38 116.87 3f1t h ARG 9 Ca -0.21 -0.27 0.04 0.00 0.07 0.00 0.00 59.98 59.62 3f1t h ARG 9 Cb 2.01 -0.03 -0.04 0.00 0.08 0.00 0.00 29.97 31.99 3f1t h ARG 9 CO 0.18 0.85 0.26 0.00 -1.07 0.00 0.00 179.97 180.19 3f1t h ALA 10 N 0.78 0.65 -0.67 0.04 0.00 -0.67 0.21 119.26 119.60 3f1t h ALA 10 Ca 0.08 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 3f1t h ALA 10 Cb 0.64 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.33 3f1t h ALA 10 CO 0.04 -0.09 0.34 0.00 0.00 0.00 0.00 179.25 179.54 3f1t h ARG 11 N 0.50 0.93 -0.07 0.00 3.08 -1.37 -1.82 114.38 115.64 3f1t h ARG 11 Ca 0.23 -0.11 -0.19 0.00 0.07 0.00 0.00 59.98 59.98 3f1t h ARG 11 Cb 0.13 -0.18 -0.00 0.00 0.08 0.00 0.00 29.97 30.00 3f1t h ARG 11 CO -0.16 0.70 -0.75 0.00 -1.07 0.00 0.00 179.97 178.69 3f1t h ARG 12 N 0.93 0.42 0.31 0.04 3.08 -0.46 -1.72 114.38 116.98 3f1t h ARG 12 Ca 0.23 -0.35 0.00 0.00 0.07 0.00 0.00 59.98 59.94 3f1t h ARG 12 Cb 0.06 0.08 -0.03 0.00 0.08 0.00 0.00 29.97 30.16 3f1t h ARG 12 CO -0.03 0.99 -0.34 0.35 -1.07 0.00 0.00 179.97 179.86 3f1t h PHE 13 N 0.28 -0.93 -0.59 3.04 3.04 -0.87 -3.20 116.94 117.70 3f1t h PHE 13 Ca -0.04 0.01 0.07 0.00 3.98 0.00 0.00 57.97 61.99 3f1t h PHE 13 Cb 1.34 0.37 -0.06 0.00 2.56 0.00 0.00 35.95 40.16 3f1t h PHE 13 CO 0.05 -0.48 0.28 1.25 -2.02 0.00 0.00 178.31 177.39 3f1t h LEU 14 N -0.69 0.38 -0.73 0.59 5.85 -1.30 -0.83 115.31 118.58 3f1t h LEU 14 Ca -0.01 0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.75 3f1t h LEU 14 Cb 0.64 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.65 3f1t h LEU 14 CO -0.09 0.24 0.00 -1.54 -0.34 0.00 0.00 178.44 176.72 3f1t n SER 15 N -4.89 0.53 0.02 1.25 3.41 -0.65 -1.33 113.62 111.94 3f1t n SER 15 Ca 0.07 0.66 0.13 0.00 -0.26 0.00 0.00 58.87 59.47 3f1t n SER 15 Cb 0.19 -0.76 0.56 0.00 -0.26 0.00 0.00 64.21 63.94 3f1t n SER 15 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3f1t n ALA 16 N -1.73 2.24 -2.71 7.33 0.00 -0.32 -4.71 120.51 120.62 3f1t n ALA 16 Ca 0.01 -0.08 -0.42 0.00 0.00 0.00 0.00 53.44 52.95 3f1t n ALA 16 Cb 0.17 -1.44 -0.10 0.00 0.00 0.00 0.00 19.45 18.08 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 -3.21 5.05 0.05 0.00 1.02 -0.44 -4.99 118.68 116.16 3f1t s LEU 17 Ca 0.13 -1.04 -0.31 0.00 0.02 0.00 0.00 54.13 52.92 3f1t s LEU 17 Cb 0.17 -2.10 -0.18 0.00 0.02 0.00 0.00 46.19 44.10 3f1t s LEU 17 CO 0.50 -0.46 1.48 0.08 0.02 0.00 0.00 176.35 177.97 3f1t h ARG 18 N 8.56 -0.86 -0.89 1.70 0.11 -1.85 -2.66 114.38 118.50 3f1t h ARG 18 Ca -0.26 0.06 0.16 0.00 0.10 0.00 0.00 59.98 60.04 3f1t h ARG 18 Cb 1.11 0.20 -0.07 0.00 1.11 0.00 0.00 29.97 32.32 3f1t h ARG 18 CO 0.73 -0.55 0.57 1.25 0.10 0.00 0.00 179.97 182.08 3f1t h HIS 19 N -1.00 0.74 0.00 4.08 -0.00 -1.97 0.92 115.15 117.93 3f1t h HIS 19 Ca -0.09 0.02 -0.02 0.00 -0.00 0.00 0.00 60.37 60.28 3f1t h HIS 19 Cb 0.71 -0.23 -0.00 0.00 -0.00 0.00 0.00 27.41 27.89 3f1t h HIS 19 CO -0.01 0.25 -0.11 0.00 -0.00 0.00 0.00 177.93 178.06 3f1t h GLN 21 N 0.00 0.07 -0.95 0.00 1.08 -0.45 -1.45 115.11 113.41 3f1t h GLN 21 Ca -0.00 -0.02 0.19 0.00 -1.45 0.00 0.00 58.65 57.36 3f1t h GLN 21 Cb 0.58 -0.01 -0.11 0.00 -0.05 0.00 0.00 27.48 27.90 3f1t h GLN 21 CO 0.01 0.36 0.53 0.28 -0.95 0.00 0.00 178.83 179.07 3f1t h VAL 22 N -0.22 0.67 0.00 -0.54 2.07 -1.25 -0.71 116.25 116.26 3f1t h VAL 22 Ca 0.01 -0.23 0.00 0.00 0.82 0.00 0.00 66.70 67.30 3f1t h VAL 22 Cb 0.33 -0.05 0.00 0.00 -1.52 0.00 0.00 31.29 30.04 3f1t h VAL 22 CO 0.00 0.12 -0.00 0.18 0.02 0.00 0.00 177.57 177.89 3f1t n LEU 23 N -4.84 0.76 -2.65 2.57 4.77 -1.02 -4.92 117.00 111.68 3f1t n LEU 23 Ca 0.22 0.57 -0.19 0.00 -0.03 0.00 0.00 56.01 56.58 3f1t n LEU 23 Cb 0.56 -0.33 0.04 0.00 -2.33 0.00 0.00 43.42 41.36 3f1t n LEU 23 CO 0.20 -0.17 0.05 0.61 -1.33 0.00 0.00 177.39 176.75 3f1t n GLY 24 N 1.32 -0.30 3.77 -0.72 0.00 -0.27 -4.41 105.19 104.57 3f1t n GLY 24 Ca 0.06 -0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.67 3f1t n GLY 24 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3f1t s LEU 25 N -5.73 4.25 0.07 0.99 1.43 -1.09 -4.52 118.68 114.07 3f1t s LEU 25 Ca 0.31 2.89 0.06 0.00 -1.03 0.00 0.00 54.13 56.35 3f1t s LEU 25 Cb -0.13 -3.80 -0.03 0.00 0.03 0.00 0.00 46.19 42.26 3f1t s LEU 25 CO 0.38 -0.93 -0.16 0.42 0.23 0.00 0.00 176.35 176.29 3f1t s THR 26 N -1.18 1.27 -0.08 5.49 -4.23 -0.80 -4.96 115.64 111.14 3f1t s THR 26 Ca 0.56 -1.27 -0.30 0.00 -1.18 0.00 0.00 61.69 59.50 3f1t s THR 26 Cb -0.43 -1.17 -0.03 0.00 1.34 0.00 0.00 72.50 72.20 3f1t s THR 26 CO 0.57 -0.11 1.27 -0.69 -0.54 0.00 0.00 174.62 175.12 3f1t s VAL 27 N -1.11 4.14 -0.13 2.29 1.01 -1.26 -0.37 120.40 124.97 3f1t s VAL 27 Ca 0.01 1.45 0.06 0.00 0.00 0.00 0.00 61.98 63.51 3f1t s VAL 27 Cb -0.09 -3.94 -0.23 0.00 0.00 0.00 0.00 36.38 32.12 3f1t s VAL 27 CO 0.02 -0.05 0.31 -0.62 0.00 0.00 0.00 175.10 174.77 3f1t n GLU 28 N 5.73 0.68 -3.49 2.72 -0.58 -0.16 -4.94 120.64 120.60 3f1t n GLU 28 Ca 0.12 0.20 -0.13 0.00 -0.42 0.00 0.00 57.16 56.93 3f1t n GLU 28 Cb 0.45 -1.67 -0.04 0.00 -0.57 0.00 0.00 31.44 29.61 3f1t n GLU 28 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3f1t s ALA 29 N -2.55 -1.74 -0.34 0.62 0.00 -1.17 -5.00 121.76 111.57 3f1t s ALA 29 Ca -0.16 1.03 0.05 0.00 0.00 0.00 0.00 51.96 52.88 3f1t s ALA 29 Cb 0.07 0.26 0.17 0.00 0.00 0.00 0.00 23.12 23.63 3f1t s ALA 29 CO 0.77 -0.54 0.50 0.00 0.00 0.00 0.00 175.76 176.49 3f1t s ALA 30 N -2.33 -1.59 0.11 0.00 0.00 -1.26 -1.63 121.76 115.07 3f1t s ALA 30 Ca -0.03 0.10 0.00 0.00 0.00 0.00 0.00 51.96 52.03 3f1t s ALA 30 Cb -0.01 -2.35 0.00 0.00 0.00 0.00 0.00 23.12 20.76 3f1t s ALA 30 CO -0.02 -1.99 0.00 -0.25 0.00 0.00 0.00 175.76 173.50 3f1t n ASP 31 N 4.85 0.00 -0.02 0.00 10.43 -0.30 -4.44 116.55 127.07 3f1t n ASP 31 Ca 0.07 -0.85 0.16 0.00 2.57 0.00 0.00 54.79 56.73 3f1t n ASP 31 Cb 0.51 0.00 0.88 0.00 1.84 0.00 0.00 41.12 44.35 3f1t n ASP 31 CO 0.00 0.00 0.00 -1.84 -1.07 0.00 0.00 177.20 174.29 3f1t n GLU 32 N -0.85 0.87 0.07 -1.24 -0.00 -1.26 -3.86 120.64 114.37 3f1t n GLU 32 Ca 0.00 -0.04 0.11 0.00 -0.00 0.00 0.00 57.16 57.24 3f1t n GLU 32 Cb 0.00 -1.50 -0.05 0.00 -0.00 0.00 0.00 31.44 29.89 3f1t n GLU 32 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 3f1t n LYS 33 N -1.03 0.61 -0.13 3.44 5.02 -1.26 -5.05 118.16 119.76 3f1t n LYS 33 Ca 0.21 0.02 0.00 0.00 -2.02 0.00 0.00 58.31 56.52 3f1t n LYS 33 Cb 0.15 -1.73 0.00 0.00 -0.02 0.00 0.00 35.03 33.44 3f1t n LYS 33 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3f1t n GLY 34 N 1.21 0.93 3.13 0.72 0.00 -1.25 -4.76 105.19 105.16 3f1t n GLY 34 Ca -0.01 -1.87 -0.25 0.00 0.00 0.00 0.00 46.02 43.89 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 1.94 -0.09 0.99 2.96 0.17 -1.15 118.68 123.50 3f1t s LEU 35 Ca 0.00 -0.32 0.04 0.00 -0.22 0.00 0.00 54.13 53.62 3f1t s LEU 35 Cb 0.00 -0.90 -0.01 0.00 0.50 0.00 0.00 46.19 45.78 3f1t s LEU 35 CO 0.00 0.16 -0.21 -0.89 -1.32 0.00 0.00 176.35 174.09 3f1t s THR 36 N -0.08 2.32 0.26 3.68 2.01 -0.64 -1.49 115.64 121.69 3f1t s THR 36 Ca -0.01 -0.94 0.12 0.00 0.31 0.00 0.00 61.69 61.17 3f1t s THR 36 Cb -0.10 -1.90 -0.05 0.00 0.01 0.00 0.00 72.50 70.47 3f1t s THR 36 CO 0.01 0.56 -0.20 -0.76 -0.69 0.00 0.00 174.62 173.54 3f1t s LEU 37 N 0.17 2.56 -0.09 4.42 1.02 0.05 -0.99 118.68 125.82 3f1t s LEU 37 Ca -0.12 -1.00 0.02 0.00 0.02 0.00 0.00 54.13 53.05 3f1t s LEU 37 Cb -0.16 -1.07 0.01 0.00 0.02 0.00 0.00 46.19 44.99 3f1t s LEU 37 CO 0.07 0.03 -0.16 -0.60 0.02 0.00 0.00 176.35 175.71 3f1t s ARG 38 N -3.38 2.23 -0.36 1.70 3.52 0.50 -1.10 118.95 122.06 3f1t s ARG 38 Ca 0.28 -0.59 -0.11 0.00 -0.13 0.00 0.00 55.73 55.18 3f1t s ARG 38 Cb -0.05 -1.81 0.01 0.00 -1.56 0.00 0.00 34.95 31.54 3f1t s ARG 38 CO 0.13 0.03 0.21 -1.17 -0.81 0.00 0.00 175.30 173.69 3f1t s LEU 39 N 0.71 4.60 0.08 -0.88 2.96 0.16 -1.91 118.68 124.39 3f1t s LEU 39 Ca -0.13 -0.83 -0.31 0.00 -0.22 0.00 0.00 54.13 52.65 3f1t s LEU 39 Cb -0.16 -2.04 -0.07 0.00 0.50 0.00 0.00 46.19 44.42 3f1t s LEU 39 CO 0.03 -0.33 1.42 -2.16 -1.32 0.00 0.00 176.35 173.99 3f1t s PRO 40 N 1.59 4.29 0.55 0.98 0.04 -1.26 -0.87 135.00 140.33 3f1t s PRO 40 Ca 0.03 2.07 0.23 0.00 0.04 0.00 0.00 61.00 63.37 3f1t s PRO 40 Cb -0.18 -3.38 1.50 0.00 0.04 0.00 0.00 34.50 32.47 3f1t s PRO 40 CO 0.07 -0.51 2.15 0.10 0.04 0.00 0.00 177.00 178.85 3f1t h TYR 41 N 7.28 0.00 0.00 0.56 -0.00 -1.92 -2.38 116.97 120.51 3f1t h TYR 41 Ca -0.41 0.00 -0.04 0.00 0.00 0.00 0.00 58.73 58.29 3f1t h TYR 41 Cb 1.20 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 37.92 3f1t h TYR 41 CO 0.70 0.00 -0.17 0.66 -0.00 0.00 0.00 178.16 179.35 3f1t h SER 42 N 0.00 0.00 0.28 0.10 4.64 -1.94 -2.89 113.55 113.74 3f1t h SER 42 Ca 0.04 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 3f1t h SER 42 Cb 0.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.28 3f1t h SER 42 CO -0.00 0.17 -0.15 0.00 -0.87 0.00 0.00 176.83 175.98 3f1t n GLN 43 N -3.21 0.81 -2.37 4.77 1.13 -0.89 -4.14 117.38 113.48 3f1t n GLN 43 Ca 0.02 -0.37 0.01 0.00 -1.94 0.00 0.00 57.00 54.72 3f1t n GLN 43 Cb 0.50 -1.49 0.04 0.00 0.11 0.00 0.00 30.24 29.40 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 -0.77 2.50 -1.78 -1.58 0.00 -1.09 -4.67 120.51 113.12 3f1t n ALA 44 Ca 0.14 -2.61 -0.40 0.00 0.00 0.00 0.00 53.44 50.57 3f1t n ALA 44 Cb 0.30 -0.83 -0.05 0.00 0.00 0.00 0.00 19.45 18.87 3f1t n ALA 44 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3f1t s ILE 45 N -2.47 3.74 -0.22 0.00 -1.09 -1.22 -0.13 121.20 119.80 3f1t s ILE 45 Ca 0.29 1.74 -0.05 0.00 -2.23 0.00 0.00 60.65 60.40 3f1t s ILE 45 Cb 0.34 -4.11 -0.02 0.00 -1.58 0.00 0.00 42.46 37.10 3f1t s ILE 45 CO -0.09 0.41 -0.00 -0.51 -1.23 0.00 0.00 174.94 173.52 3f1t s ILE 46 N -1.10 3.74 0.00 2.92 2.07 -0.43 -4.67 121.20 123.73 3f1t s ILE 46 Ca 0.43 -0.37 0.00 0.00 -1.41 0.00 0.00 60.65 59.30 3f1t s ILE 46 Cb -0.29 -2.71 0.00 0.00 0.13 0.00 0.00 42.46 39.58 3f1t s ILE 46 CO 0.37 0.40 0.00 0.61 -1.91 0.00 0.00 174.94 174.41 3f1t n GLY 47 N 4.73 0.38 3.67 1.50 0.00 -1.26 -4.69 105.19 109.52 3f1t n GLY 47 Ca -0.17 -1.45 -0.42 0.00 0.00 0.00 0.00 46.02 43.98 3f1t n GLY 47 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3f1t s ASN 48 N -4.00 6.58 0.55 1.61 2.47 -1.26 -4.89 114.94 116.00 3f1t s ASN 48 Ca 0.00 2.47 0.27 0.00 0.42 0.00 0.00 52.86 56.02 3f1t s ASN 48 Cb 0.00 -2.55 1.61 0.00 -1.45 0.00 0.00 41.25 38.86 3f1t s ASN 48 CO 0.00 -0.94 2.17 1.55 -3.72 0.00 0.00 177.10 176.16 3f1t h PRO 49 N 9.15 0.00 -0.06 0.43 0.13 -1.96 -3.04 132.00 136.66 3f1t h PRO 49 Ca -0.43 0.00 0.04 0.00 -0.87 0.00 0.00 66.00 64.74 3f1t h PRO 49 Cb 1.20 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.28 3f1t h PRO 49 CO 0.94 0.05 -0.31 1.49 -0.23 0.00 0.00 178.00 179.94 3f1t h GLU 50 N 0.00 -0.41 -7.31 0.86 4.81 -2.00 -3.40 114.58 107.13 3f1t h GLU 50 Ca -0.00 0.03 -0.49 0.00 -0.13 0.00 0.00 59.36 58.77 3f1t h GLU 50 Cb 0.13 0.09 0.16 0.00 0.63 0.00 0.00 28.75 29.76 3f1t h GLU 50 CO 0.01 -0.27 0.23 -1.12 -0.73 0.00 0.00 179.01 177.13 3f1t s SER 51 N -4.89 3.31 -0.02 1.04 0.01 -1.15 -4.96 113.70 107.05 3f1t s SER 51 Ca -0.15 1.63 0.15 0.00 1.31 0.00 0.00 55.95 58.89 3f1t s SER 51 Cb 0.10 -2.28 0.47 0.00 0.21 0.00 0.00 66.02 64.51 3f1t s SER 51 CO 0.66 -2.76 1.38 0.61 0.41 0.00 0.00 173.24 173.54 3f1t n GLY 52 N -0.79 1.53 3.62 3.44 0.00 -1.26 -4.88 105.19 106.86 3f1t n GLY 52 Ca 0.07 -0.57 -0.43 0.00 0.00 0.00 0.00 46.02 45.10 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 -1.39 4.55 -0.03 1.61 1.01 -1.26 -1.78 120.40 123.11 3f1t s VAL 53 Ca 0.35 1.44 -0.23 0.00 0.00 0.00 0.00 61.98 63.54 3f1t s VAL 53 Cb 0.19 -4.37 -0.04 0.00 0.00 0.00 0.00 36.38 32.16 3f1t s VAL 53 CO 0.22 -0.51 0.68 -0.69 0.00 0.00 0.00 175.10 174.81 3f1t s VAL 54 N 3.56 4.96 0.18 2.92 1.01 -1.26 -1.31 120.40 130.45 3f1t s VAL 54 Ca 0.41 1.41 -0.32 0.00 0.00 0.00 0.00 61.98 63.49 3f1t s VAL 54 Cb -0.12 -4.02 -0.11 0.00 0.00 0.00 0.00 36.38 32.13 3f1t s VAL 54 CO 0.17 0.32 1.70 -2.28 0.00 0.00 0.00 175.10 175.00 3f1t s HIS 55 N 0.39 2.82 0.52 5.22 2.46 0.82 -4.75 115.29 122.77 3f1t s HIS 55 Ca 0.36 0.36 0.21 0.00 0.47 0.00 0.00 55.06 56.46 3f1t s HIS 55 Cb -0.18 -4.08 1.32 0.00 -0.13 0.00 0.00 32.58 29.50 3f1t s HIS 55 CO 0.19 -4.15 2.05 0.78 -2.47 0.00 0.00 174.74 171.14 3f1t h GLY 56 N 7.12 0.05 2.00 1.59 0.00 -1.96 0.10 103.07 111.98 3f1t h GLY 56 Ca -0.43 -0.02 -0.05 0.00 0.00 0.00 0.00 47.33 46.83 3f1t h GLY 56 CO 0.94 0.01 -0.25 -1.33 0.00 0.00 0.00 176.54 175.91 3f1t h GLY 57 N 0.04 0.00 0.76 4.60 0.00 -1.96 -1.15 103.07 105.36 3f1t h GLY 57 Ca 0.17 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 47.39 3f1t h GLY 57 CO -0.01 0.00 -0.38 0.00 0.00 0.00 0.00 176.54 176.16 3f1t h ALA 58 N 1.75 0.16 -0.99 3.60 0.00 -1.14 -2.14 119.26 120.50 3f1t h ALA 58 Ca -0.00 -0.46 0.07 0.00 0.00 0.00 0.00 54.91 54.52 3f1t h ALA 58 Cb 0.62 -0.01 -0.07 0.00 0.00 0.00 0.00 17.79 18.33 3f1t h ALA 58 CO 0.03 0.26 0.64 0.82 0.00 0.00 0.00 179.25 181.00 3f1t h ILE 59 N -0.04 1.07 -0.22 0.00 2.04 -1.29 0.22 117.51 119.29 3f1t h ILE 59 Ca -0.02 -0.39 -0.00 0.00 1.00 0.00 0.00 64.86 65.44 3f1t h ILE 59 Cb 1.02 -0.18 -0.01 0.00 -0.74 0.00 0.00 36.82 36.91 3f1t h ILE 59 CO 0.08 0.21 0.13 0.74 0.00 0.00 0.00 178.15 179.31 3f1t h THR 60 N 1.15 1.10 -0.73 -0.27 2.02 -1.21 -1.45 112.91 113.53 3f1t h THR 60 Ca 0.43 -0.27 0.08 0.00 0.77 0.00 0.00 66.41 67.42 3f1t h THR 60 Cb 0.18 0.88 -0.06 0.00 -1.74 0.00 0.00 68.15 67.41 3f1t h THR 60 CO -0.18 0.10 0.40 0.74 0.37 0.00 0.00 175.52 176.95 3f1t h THR 61 N 0.26 0.93 0.00 3.16 2.02 -0.67 -0.53 112.91 118.08 3f1t h THR 61 Ca 0.08 -0.24 0.00 0.00 0.77 0.00 0.00 66.41 67.02 3f1t h THR 61 Cb 0.05 0.16 0.00 0.00 -1.74 0.00 0.00 68.15 66.62 3f1t h THR 61 CO -0.01 0.13 0.00 -0.11 0.37 0.00 0.00 175.52 175.90 3f1t n LEU 62 N -4.79 0.00 0.00 2.58 7.94 0.69 -1.36 117.00 122.07 3f1t n LEU 62 Ca 0.11 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.01 3f1t n LEU 62 Cb 0.22 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.17 3f1t n LEU 62 CO 0.27 0.00 0.00 -0.67 -1.11 0.00 0.00 177.39 175.88 3f1t n ASP 64 N -0.08 0.00 -0.12 1.96 2.03 -0.21 -0.57 116.55 119.55 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 -0.02 0.00 -0.72 0.00 0.00 41.12 40.38 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 1.28 0.27 5.18 2.02 -1.46 0.92 112.91 121.12 3f1t h THR 65 Ca 0.00 -1.40 -0.01 0.00 0.77 0.00 0.00 66.41 65.76 3f1t h THR 65 Cb 0.00 1.35 0.00 0.00 -1.74 0.00 0.00 68.15 67.77 3f1t h THR 65 CO 0.00 0.47 -0.13 0.74 0.37 0.00 0.00 175.52 176.96 3f1t h THR 66 N 0.64 0.73 -0.31 3.16 2.02 -1.07 0.20 112.91 118.27 3f1t h THR 66 Ca 0.08 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.33 3f1t h THR 66 Cb 0.82 0.73 -0.07 0.00 -1.74 0.00 0.00 68.15 67.89 3f1t h THR 66 CO 0.07 0.00 -0.17 0.00 0.37 0.00 0.00 175.52 175.79 3f1t h GLY 68 N -0.13 1.03 1.87 0.00 0.00 -0.55 -2.70 103.07 102.59 3f1t h GLY 68 Ca 0.16 -0.26 -0.10 0.00 0.00 0.00 0.00 47.33 47.13 3f1t h GLY 68 CO -0.40 0.14 -0.57 -2.22 0.00 0.00 0.00 176.54 173.49 3f1t h ILE 69 N 0.69 0.74 0.00 2.60 2.04 -0.47 -3.29 117.51 119.82 3f1t h ILE 69 Ca 0.32 -2.07 0.00 0.00 1.00 0.00 0.00 64.86 64.11 3f1t h ILE 69 Cb 0.23 2.33 0.00 0.00 -0.74 0.00 0.00 36.82 38.64 3f1t h ILE 69 CO -0.20 0.42 0.00 0.77 0.00 0.00 0.00 178.15 179.14 3f1t h SER 70 N 0.00 0.00 -0.06 1.72 4.64 -0.76 -0.81 113.55 118.28 3f1t h SER 70 Ca -0.02 0.00 0.02 0.00 -0.47 0.00 0.00 61.79 61.32 3f1t h SER 70 Cb 1.37 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.46 3f1t h SER 70 CO 0.06 0.00 0.14 0.71 -0.87 0.00 0.00 176.83 176.87 3f1t h THR 71 N 0.00 0.22 0.00 2.95 1.35 -1.64 -1.26 112.91 114.54 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 0.12 0.87 0.00 0.00 -1.73 0.00 0.00 68.15 67.41 3f1t h THR 71 CO 0.00 0.00 0.00 1.33 -0.25 0.00 0.00 175.52 176.60 3f1t n VAL 72 N -3.37 0.77 1.58 6.82 0.24 -0.31 -1.77 118.33 122.28 3f1t n VAL 72 Ca -0.01 0.19 0.15 0.00 -2.04 0.00 0.00 64.34 62.62 3f1t n VAL 72 Cb 0.23 -0.89 0.72 0.00 -1.47 0.00 0.00 33.84 32.43 3f1t n VAL 72 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3f1t n VAL 74 N -0.92 0.00 -2.48 0.00 0.24 -1.04 -4.82 118.33 109.30 3f1t n VAL 74 Ca 0.17 0.00 -0.43 0.00 -2.04 0.00 0.00 64.34 62.04 3f1t n VAL 74 Cb 0.23 -0.28 -0.02 0.00 -1.47 0.00 0.00 33.84 32.30 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 -1.87 3.92 0.21 1.34 1.43 -0.73 -4.93 118.68 118.05 3f1t s LEU 75 Ca 0.00 1.19 -0.07 0.00 -1.03 0.00 0.00 54.13 54.23 3f1t s LEU 75 Cb 0.00 -3.54 0.16 0.00 0.03 0.00 0.00 46.19 42.84 3f1t s LEU 75 CO 0.00 -1.00 1.69 1.55 0.23 0.00 0.00 176.35 178.82 3f1t h PRO 76 N 8.88 1.00 -7.04 1.29 0.13 -1.91 -3.43 132.00 130.92 3f1t h PRO 76 Ca -0.25 -0.29 -0.48 0.00 -0.87 0.00 0.00 66.00 64.12 3f1t h PRO 76 Cb 1.09 -0.11 0.05 0.00 0.13 0.00 0.00 31.00 32.16 3f1t h PRO 76 CO 1.03 0.96 0.14 0.34 -0.23 0.00 0.00 178.00 180.24 3f1t s ASP 77 N -6.58 5.82 -0.28 1.44 -1.08 -1.26 -5.07 116.67 109.67 3f1t s ASP 77 Ca -0.11 0.76 -0.14 0.00 -0.52 0.00 0.00 52.55 52.54 3f1t s ASP 77 Cb 0.14 -1.87 -0.04 0.00 -1.46 0.00 0.00 42.92 39.70 3f1t s ASP 77 CO 0.84 -0.89 0.32 0.12 0.52 0.00 0.00 175.17 176.08 3f1t s PHE 78 N -2.89 3.24 0.07 -5.34 5.36 -1.26 -4.99 117.98 112.16 3f1t s PHE 78 Ca 0.52 0.31 -0.05 0.00 -0.96 0.00 0.00 56.93 56.75 3f1t s PHE 78 Cb -0.10 -2.52 -0.02 0.00 -0.34 0.00 0.00 43.02 40.04 3f1t s PHE 78 CO 0.45 -0.22 0.08 -1.83 -1.46 0.00 0.00 175.22 172.24 3f1t s GLU 79 N 1.98 0.71 -0.31 10.12 -1.05 -1.26 -5.14 118.70 123.74 3f1t s GLU 79 Ca 0.13 -1.05 -0.11 0.00 -0.15 0.00 0.00 54.97 53.78 3f1t s GLU 79 Cb -0.16 0.27 -0.02 0.00 -0.44 0.00 0.00 34.13 33.78 3f1t s GLU 79 CO 0.10 -0.18 0.20 0.42 0.95 0.00 0.00 175.26 176.75 3f1t s ILE 80 N -3.73 5.10 -0.42 1.83 1.01 -1.26 -4.94 121.20 118.79 3f1t s ILE 80 Ca 0.05 -0.16 -0.19 0.00 0.00 0.00 0.00 60.65 60.34 3f1t s ILE 80 Cb 0.05 -3.56 0.02 0.00 0.01 0.00 0.00 42.46 38.99 3f1t s ILE 80 CO -0.10 0.09 0.54 0.00 0.00 0.00 0.00 174.94 175.47 3f1t n PRO 82 N 5.92 0.14 -2.94 0.00 -0.02 -1.26 -4.91 135.00 131.93 3f1t n PRO 82 Ca -0.04 0.11 -0.40 0.00 -2.02 0.00 0.00 63.50 61.15 3f1t n PRO 82 Cb 0.48 -2.19 -0.05 0.00 -0.02 0.00 0.00 33.50 31.72 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 -2.11 4.82 -0.27 3.45 2.01 -1.26 -4.47 115.64 117.81 3f1t s THR 83 Ca 0.69 1.68 -0.05 0.00 0.31 0.00 0.00 61.69 64.32 3f1t s THR 83 Cb -0.29 -4.14 -0.15 0.00 0.01 0.00 0.00 72.50 67.93 3f1t s THR 83 CO 0.55 0.30 -0.27 0.18 -0.69 0.00 0.00 174.62 174.70 3f1t n LEU 84 N 3.21 2.56 -3.71 4.42 4.77 0.41 -4.97 117.00 123.69 3f1t n LEU 84 Ca -0.01 0.06 -0.14 0.00 -0.03 0.00 0.00 56.01 55.89 3f1t n LEU 84 Cb 0.51 -0.88 -0.08 0.00 -2.33 0.00 0.00 43.42 40.64 3f1t n LEU 84 CO 0.48 0.79 0.11 -1.81 -1.33 0.00 0.00 177.39 175.63 3f1t s ASP 85 N -6.93 -0.30 -0.22 -1.43 1.11 -0.98 -4.95 116.67 102.97 3f1t s ASP 85 Ca -0.36 0.26 -0.10 0.00 0.18 0.00 0.00 52.55 52.52 3f1t s ASP 85 Cb 0.11 0.39 0.08 0.00 1.07 0.00 0.00 42.92 44.57 3f1t s ASP 85 CO 0.56 -0.46 0.51 -0.22 1.18 0.00 0.00 175.17 176.74 3f1t s LEU 86 N -1.21 -0.57 -0.06 1.23 2.96 -1.26 -1.12 118.68 118.65 3f1t s LEU 86 Ca -0.12 1.16 0.05 0.00 -0.22 0.00 0.00 54.13 54.99 3f1t s LEU 86 Cb -0.04 1.73 -0.00 0.00 0.50 0.00 0.00 46.19 48.37 3f1t s LEU 86 CO 0.05 -0.22 -0.20 0.00 -1.32 0.00 0.00 176.35 174.66 3f1t s ARG 87 N 1.93 2.19 -0.11 1.98 1.70 0.40 -5.00 118.95 122.05 3f1t s ARG 87 Ca -0.07 -0.73 0.02 0.00 -0.47 0.00 0.00 55.73 54.48 3f1t s ARG 87 Cb -0.09 -1.84 0.01 0.00 -0.57 0.00 0.00 34.95 32.46 3f1t s ARG 87 CO -0.15 0.27 -0.18 0.42 -1.08 0.00 0.00 175.30 174.58 3f1t s ILE 88 N 0.04 1.68 -0.15 4.99 1.01 -1.26 -0.89 121.20 126.63 3f1t s ILE 88 Ca -0.06 -0.76 0.00 0.00 0.00 0.00 0.00 60.65 59.83 3f1t s ILE 88 Cb -0.13 -1.51 0.03 0.00 0.01 0.00 0.00 42.46 40.85 3f1t s ILE 88 CO 0.04 0.48 -0.12 -1.81 0.00 0.00 0.00 174.94 173.53 3f1t s ASP 89 N 0.83 2.72 0.87 3.58 1.01 0.71 -4.98 116.67 121.41 3f1t s ASP 89 Ca -0.09 -0.53 -0.10 0.00 0.71 0.00 0.00 52.55 52.53 3f1t s ASP 89 Cb -0.16 -1.11 0.17 0.00 1.01 0.00 0.00 42.92 42.83 3f1t s ASP 89 CO 0.00 -0.09 1.20 -0.31 0.21 0.00 0.00 175.17 176.18 3f1t s TYR 90 N 1.52 1.65 0.71 4.23 2.02 -1.26 -0.51 117.35 125.71 3f1t s TYR 90 Ca 0.04 0.12 -0.12 0.00 -0.37 0.00 0.00 57.07 56.73 3f1t s TYR 90 Cb -0.13 -3.69 0.02 0.00 -0.40 0.00 0.00 41.96 37.76 3f1t s TYR 90 CO -0.10 -2.27 1.08 -3.38 -1.57 0.00 0.00 175.55 169.31 3f1t s HIS 92 N -3.60 2.76 0.71 2.71 -3.43 -1.13 -4.95 115.29 108.36 3f1t s HIS 92 Ca 0.71 1.52 -0.13 0.00 -0.80 0.00 0.00 55.06 56.35 3f1t s HIS 92 Cb -0.05 -3.03 0.03 0.00 -1.43 0.00 0.00 32.58 28.10 3f1t s HIS 92 CO 0.50 -1.56 1.11 -1.25 -2.00 0.00 0.00 174.74 171.53 3f1t s PRO 93 N -4.67 2.52 0.59 -0.38 0.04 -1.26 -4.72 135.00 127.11 3f1t s PRO 93 Ca 0.62 1.31 -0.17 0.00 0.04 0.00 0.00 61.00 62.80 3f1t s PRO 93 Cb -0.17 -1.92 -0.03 0.00 0.04 0.00 0.00 34.50 32.42 3f1t s PRO 93 CO 0.51 -1.46 1.10 0.00 0.04 0.00 0.00 177.00 177.18 3f1t s ALA 94 N -2.58 2.64 0.26 8.56 0.00 -1.26 -4.98 121.76 124.40 3f1t s ALA 94 Ca 0.65 0.61 -0.29 0.00 0.00 0.00 0.00 51.96 52.93 3f1t s ALA 94 Cb -0.19 -3.31 -0.09 0.00 0.00 0.00 0.00 23.12 19.53 3f1t s ALA 94 CO 0.48 -0.92 0.98 -1.21 0.00 0.00 0.00 175.76 175.09 3f1t s GLU 95 N -3.74 4.78 0.34 0.00 2.02 -1.26 -4.99 118.70 115.85 3f1t s GLU 95 Ca 0.68 1.55 -0.24 0.00 0.02 0.00 0.00 54.97 56.98 3f1t s GLU 95 Cb -0.20 -3.21 -0.10 0.00 0.10 0.00 0.00 34.13 30.71 3f1t s GLU 95 CO 0.34 0.42 0.93 -1.25 0.02 0.00 0.00 175.26 175.72 3f1t s PRO 96 N -1.32 4.48 -0.06 0.39 0.04 -1.26 -3.86 135.00 133.41 3f1t s PRO 96 Ca 0.43 1.25 0.00 0.00 0.04 0.00 0.00 61.00 62.72 3f1t s PRO 96 Cb -0.27 -2.66 0.00 0.00 0.04 0.00 0.00 34.50 31.61 3f1t s PRO 96 CO 0.33 0.21 0.00 0.72 0.04 0.00 0.00 177.00 178.31 3f1t n HIS 97 N 0.28 0.00 -4.75 0.56 8.25 -0.73 -4.86 115.22 113.98 3f1t n HIS 97 Ca 0.03 0.00 -0.28 0.00 -0.26 0.00 0.00 57.72 57.21 3f1t n HIS 97 Cb 0.51 -0.38 -0.17 0.00 1.12 0.00 0.00 29.99 31.07 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 -1.07 2.29 0.50 -0.41 1.02 -1.25 -4.99 119.74 115.83 3f1t s LYS 98 Ca 0.00 -0.61 -0.21 0.00 0.02 0.00 0.00 55.97 55.17 3f1t s LYS 98 Cb 0.00 -1.84 -0.10 0.00 -0.52 0.00 0.00 37.83 35.38 3f1t s LYS 98 CO 0.00 0.05 0.72 -0.25 -0.92 0.00 0.00 175.35 174.95 3f1t n ASP 99 N 3.84 -0.14 -4.40 2.83 9.92 -1.26 -4.46 116.55 122.87 3f1t n ASP 99 Ca -0.21 0.87 -0.34 0.00 -0.53 0.00 0.00 54.79 54.59 3f1t n ASP 99 Cb 0.52 -1.23 -0.13 0.00 -0.64 0.00 0.00 41.12 39.63 3f1t n ASP 99 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 3f1t s VAL 100 N -1.51 3.47 -0.02 2.53 1.01 -0.05 -4.69 120.40 121.14 3f1t s VAL 100 Ca 0.67 -0.49 -0.03 0.00 0.00 0.00 0.00 61.98 62.12 3f1t s VAL 100 Cb -0.51 -2.52 -0.04 0.00 0.00 0.00 0.00 36.38 33.31 3f1t s VAL 100 CO 0.55 0.48 0.17 -0.31 0.00 0.00 0.00 175.10 175.99 3f1t s TYR 101 N 0.68 3.55 -0.04 5.22 2.02 -0.35 0.40 117.35 128.83 3f1t s TYR 101 Ca -0.04 0.37 0.06 0.00 -0.37 0.00 0.00 57.07 57.10 3f1t s TYR 101 Cb -0.15 -1.84 -0.02 0.00 -0.40 0.00 0.00 41.96 39.55 3f1t s TYR 101 CO 0.02 0.66 -0.22 0.20 -1.57 0.00 0.00 175.55 174.64 3f1t s GLY 102 N -1.81 1.36 -0.08 0.71 0.00 -0.26 -1.18 107.32 106.07 3f1t s GLY 102 Ca 0.25 -1.05 0.03 0.00 0.00 0.00 0.00 44.72 43.96 3f1t s GLY 102 CO 0.17 -0.77 -0.18 -0.12 0.00 0.00 0.00 173.10 172.19 3f1t s PHE 103 N -0.48 2.00 0.19 1.90 2.19 -0.66 -0.77 117.98 122.35 3f1t s PHE 103 Ca 0.06 -0.76 0.05 0.00 0.33 0.00 0.00 56.93 56.61 3f1t s PHE 103 Cb -0.11 -1.37 -0.05 0.00 -1.31 0.00 0.00 43.02 40.17 3f1t s PHE 103 CO 0.01 -0.32 -0.07 0.00 1.83 0.00 0.00 175.22 176.67 3f1t s ALA 104 N 0.42 1.70 -0.29 11.12 0.00 -0.55 -0.91 121.76 133.25 3f1t s ALA 104 Ca -0.15 -1.63 -0.01 0.00 0.00 0.00 0.00 51.96 50.17 3f1t s ALA 104 Cb -0.16 0.20 0.18 0.00 0.00 0.00 0.00 23.12 23.34 3f1t s ALA 104 CO 0.06 -0.13 0.57 -2.00 0.00 0.00 0.00 175.76 174.26 3f1t s GLU 105 N -3.77 0.54 0.16 0.00 2.12 -0.47 -0.65 118.70 116.63 3f1t s GLU 105 Ca 0.22 0.94 -0.34 0.00 0.36 0.00 0.00 54.97 56.15 3f1t s GLU 105 Cb 0.03 0.41 -0.14 0.00 0.26 0.00 0.00 34.13 34.69 3f1t s GLU 105 CO 0.05 -0.62 1.60 0.00 -0.54 0.00 0.00 175.26 175.74 3f1t n TYR 107 N 3.51 0.00 -3.69 0.00 0.18 0.10 -4.97 117.16 112.30 3f1t n TYR 107 Ca 0.17 0.00 -0.14 0.00 1.88 0.00 0.00 57.90 59.81 3f1t n TYR 107 Cb 0.29 0.00 -0.09 0.00 -0.38 0.00 0.00 39.34 39.17 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 -0.95 0.65 -0.07 -3.48 3.52 -1.17 -5.00 118.95 112.45 3f1t s ARG 108 Ca 0.00 0.75 -0.00 0.00 -0.13 0.00 0.00 55.73 56.35 3f1t s ARG 108 Cb 0.00 0.32 0.03 0.00 -1.56 0.00 0.00 34.95 33.74 3f1t s ARG 108 CO 0.02 -0.08 -0.03 0.08 -0.81 0.00 0.00 175.30 174.49 3f1t s VAL 109 N 0.25 0.53 0.48 7.11 1.01 -1.26 -0.78 120.40 127.74 3f1t s VAL 109 Ca -0.00 -0.03 0.05 0.00 0.00 0.00 0.00 61.98 62.00 3f1t s VAL 109 Cb -0.04 -0.62 -0.02 0.00 0.00 0.00 0.00 36.38 35.70 3f1t s VAL 109 CO 0.01 0.27 0.19 0.42 0.00 0.00 0.00 175.10 175.99 3f1t s THR 110 N 1.56 1.80 0.36 3.92 -4.23 -0.29 -5.01 115.64 113.76 3f1t s THR 110 Ca -0.01 -1.72 0.18 0.00 -1.18 0.00 0.00 61.69 58.96 3f1t s THR 110 Cb -0.13 -2.53 0.35 0.00 1.34 0.00 0.00 72.50 71.54 3f1t s THR 110 CO -0.04 0.00 1.65 -0.65 -0.54 0.00 0.00 174.62 175.04 3f1t h PRO 111 N 1.22 0.24 0.00 3.99 0.11 -2.00 -3.26 132.00 132.30 3f1t h PRO 111 Ca -0.41 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.68 3f1t h PRO 111 Cb 1.28 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.34 3f1t h PRO 111 CO 0.68 0.16 0.00 0.09 -0.21 0.00 0.00 178.00 178.72 3f1t n ASN 112 N -5.02 0.15 -4.04 -2.05 5.03 -1.26 -4.90 115.26 103.17 3f1t n ASN 112 Ca 0.33 -0.50 -0.16 0.00 0.87 0.00 0.00 54.58 55.12 3f1t n ASN 112 Cb 1.08 0.59 -0.13 0.00 -1.02 0.00 0.00 39.78 40.30 3f1t n ASN 112 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 3f1t s VAL 113 N -0.59 0.61 -0.10 2.41 1.01 -1.23 -1.32 120.40 121.19 3f1t s VAL 113 Ca 0.00 -0.75 0.01 0.00 0.00 0.00 0.00 61.98 61.24 3f1t s VAL 113 Cb 0.00 -0.60 0.02 0.00 0.00 0.00 0.00 36.38 35.80 3f1t s VAL 113 CO 0.00 -0.12 -0.11 -0.63 0.00 0.00 0.00 175.10 174.24 3f1t s ILE 114 N -0.81 1.20 -0.15 2.22 1.01 -0.36 -1.13 121.20 123.17 3f1t s ILE 114 Ca -0.03 -0.45 -0.06 0.00 0.00 0.00 0.00 60.65 60.10 3f1t s ILE 114 Cb -0.07 -1.13 -0.04 0.00 0.01 0.00 0.00 42.46 41.23 3f1t s ILE 114 CO 0.00 0.38 0.07 -0.36 0.00 0.00 0.00 174.94 175.04 3f1t s PHE 115 N 1.15 3.32 0.06 3.97 0.40 0.04 -1.14 117.98 125.78 3f1t s PHE 115 Ca -0.05 0.21 0.02 0.00 -0.60 0.00 0.00 56.93 56.52 3f1t s PHE 115 Cb -0.14 -2.00 -0.03 0.00 0.51 0.00 0.00 43.02 41.36 3f1t s PHE 115 CO -0.02 0.35 -0.08 -0.08 0.70 0.00 0.00 175.22 176.09 3f1t s THR 116 N -0.19 0.62 -0.03 0.64 -1.32 -0.22 -0.72 115.64 114.42 3f1t s THR 116 Ca 0.08 -1.38 -0.04 0.00 -1.21 0.00 0.00 61.69 59.15 3f1t s THR 116 Cb -0.12 -0.99 0.01 0.00 -1.51 0.00 0.00 72.50 69.89 3f1t s THR 116 CO 0.01 -0.54 0.09 -0.60 -2.21 0.00 0.00 174.62 171.38 3f1t s ARG 117 N -2.34 0.16 0.00 7.08 3.52 -1.02 -1.55 118.95 124.81 3f1t s ARG 117 Ca -0.02 0.03 0.00 0.00 -0.13 0.00 0.00 55.73 55.61 3f1t s ARG 117 Cb -0.05 0.07 0.00 0.00 -1.56 0.00 0.00 34.95 33.41 3f1t s ARG 117 CO -0.01 -0.03 0.00 0.41 -0.81 0.00 0.00 175.30 174.86 3f1t n GLY 118 N 2.77 2.13 3.39 8.12 0.00 -0.23 -1.36 105.19 120.00 3f1t n GLY 118 Ca -0.14 -0.99 -0.11 0.00 0.00 0.00 0.00 46.02 44.79 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 -8.24 -0.25 -0.05 1.61 -0.12 -0.09 -1.32 117.98 109.53 3f1t s PHE 119 Ca 0.00 -0.06 -0.03 0.00 -0.05 0.00 0.00 56.93 56.80 3f1t s PHE 119 Cb 0.00 0.35 -0.04 0.00 -0.63 0.00 0.00 43.02 42.70 3f1t s PHE 119 CO 0.00 -0.78 0.09 0.00 -0.05 0.00 0.00 175.22 174.48 3f1t s ALA 120 N -3.81 3.65 0.30 1.99 0.00 -0.45 -1.65 121.76 121.79 3f1t s ALA 120 Ca 0.04 -0.78 -0.08 0.00 0.00 0.00 0.00 51.96 51.14 3f1t s ALA 120 Cb 0.01 -1.70 0.00 0.00 0.00 0.00 0.00 23.12 21.43 3f1t s ALA 120 CO -0.10 0.66 0.48 1.52 0.00 0.00 0.00 175.76 178.32 3f1t s TYR 121 N -1.11 0.71 0.02 0.00 -0.85 -0.32 0.51 117.35 116.31 3f1t s TYR 121 Ca 0.20 -1.03 0.00 0.00 -0.52 0.00 0.00 57.07 55.71 3f1t s TYR 121 Cb -0.12 0.06 0.00 0.00 0.38 0.00 0.00 41.96 42.29 3f1t s TYR 121 CO 0.10 -1.08 0.00 1.04 -1.52 0.00 0.00 175.55 174.09 3f1t n GLN 122 N -0.47 0.00 -0.01 -3.49 6.02 -1.26 -1.21 117.38 116.96 3f1t n GLN 122 Ca -0.01 0.00 -0.00 0.00 -0.01 0.00 0.00 57.00 56.98 3f1t n GLN 122 Cb 0.62 -0.04 -0.00 0.00 1.02 0.00 0.00 30.24 31.84 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 0.00 -3.90 1.08 3.32 -1.93 -3.46 116.42 111.52 3f1t h ASP 123 Ca 0.00 0.00 -0.68 0.00 0.02 0.00 0.00 57.03 56.37 3f1t h ASP 123 Cb 0.00 0.00 -0.26 0.00 0.22 0.00 0.00 39.33 39.29 3f1t h ASP 123 CO 0.00 0.09 -0.80 -1.81 -1.72 0.00 0.00 179.24 175.00 3f1t s ASP 124 N -3.62 3.78 0.00 6.45 1.01 -1.26 -4.98 116.67 118.05 3f1t s ASP 124 Ca -0.01 -0.30 0.00 0.00 0.71 0.00 0.00 52.55 52.94 3f1t s ASP 124 Cb 0.00 -0.99 0.00 0.00 1.01 0.00 0.00 42.92 42.94 3f1t s ASP 124 CO 0.02 0.28 0.64 -2.65 0.21 0.00 0.00 175.17 173.67 3f1t n PRO 125 N 2.72 0.00 -0.09 8.23 -0.02 -1.26 -2.73 135.00 141.84 3f1t n PRO 125 Ca -0.17 0.21 -0.13 0.00 -2.02 0.00 0.00 63.50 61.38 3f1t n PRO 125 Cb 0.52 -1.59 -0.04 0.00 -0.02 0.00 0.00 33.50 32.37 3f1t n PRO 125 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 3f1t h GLY 126 N 0.00 0.79 -6.73 -1.23 0.00 -1.99 -3.34 103.07 90.58 3f1t h GLY 126 Ca 0.00 -0.83 -0.65 0.00 0.00 0.00 0.00 47.33 45.85 3f1t h GLY 126 CO 0.00 0.75 -0.34 -1.06 0.00 0.00 0.00 176.54 175.88 3f1t n GLN 127 N -4.23 2.57 -1.81 4.80 1.13 -1.11 -5.09 117.38 113.65 3f1t n GLN 127 Ca -0.04 -4.58 -0.38 0.00 -1.94 0.00 0.00 57.00 50.07 3f1t n GLN 127 Cb 0.49 -2.32 0.05 0.00 0.11 0.00 0.00 30.24 28.56 3f1t n GLN 127 CO 0.00 0.00 0.00 -1.25 -1.44 0.00 0.00 177.06 174.37 3f1t s PRO 128 N -2.03 2.99 0.31 -1.09 0.04 -1.26 -4.81 135.00 129.16 3f1t s PRO 128 Ca 0.32 2.14 0.00 0.00 0.04 0.00 0.00 61.00 63.51 3f1t s PRO 128 Cb 0.04 -2.13 0.50 0.00 0.04 0.00 0.00 34.50 32.96 3f1t s PRO 128 CO -0.07 -1.28 1.92 0.82 0.04 0.00 0.00 177.00 178.44 3f1t h ILE 129 N 1.18 1.20 -1.82 0.56 2.04 -0.23 -3.42 117.51 117.02 3f1t h ILE 129 Ca -0.51 -0.55 0.01 0.00 1.00 0.00 0.00 64.86 64.81 3f1t h ILE 129 Cb 1.31 0.42 -0.21 0.00 -0.74 0.00 0.00 36.82 37.60 3f1t h ILE 129 CO 0.56 0.23 0.36 0.00 0.00 0.00 0.00 178.15 179.30 3f1t s ALA 130 N -5.50 -1.84 0.07 1.87 0.00 -1.22 -2.85 121.76 112.29 3f1t s ALA 130 Ca -0.10 1.42 0.04 0.00 0.00 0.00 0.00 51.96 53.32 3f1t s ALA 130 Cb 0.17 -0.30 -0.04 0.00 0.00 0.00 0.00 23.12 22.95 3f1t s ALA 130 CO 0.78 -0.35 0.03 -1.01 0.00 0.00 0.00 175.76 175.21 3f1t s HIS 131 N -1.23 3.08 -0.02 0.00 3.76 0.33 -1.34 115.29 119.87 3f1t s HIS 131 Ca -0.06 0.03 -0.02 0.00 -0.15 0.00 0.00 55.06 54.86 3f1t s HIS 131 Cb -0.00 -1.59 0.01 0.00 1.11 0.00 0.00 32.58 32.11 3f1t s HIS 131 CO 0.05 0.49 0.06 0.54 -0.85 0.00 0.00 174.74 175.03 3f1t s VAL 132 N -1.30 -0.01 -0.01 -0.90 0.11 -0.43 -0.20 120.40 117.65 3f1t s VAL 132 Ca 0.26 0.03 0.01 0.00 -2.93 0.00 0.00 61.98 59.35 3f1t s VAL 132 Cb -0.12 -0.09 0.00 0.00 -1.53 0.00 0.00 36.38 34.65 3f1t s VAL 132 CO 0.18 0.01 -0.04 -0.69 -3.33 0.00 0.00 175.10 171.23 3f1t s VAL 133 N 0.18 0.39 -0.01 2.04 1.01 -0.07 -1.07 120.40 122.88 3f1t s VAL 133 Ca -0.01 -0.16 -0.10 0.00 0.00 0.00 0.00 61.98 61.71 3f1t s VAL 133 Cb -0.02 -0.36 0.01 0.00 0.00 0.00 0.00 36.38 36.00 3f1t s VAL 133 CO -0.01 0.14 0.20 -0.83 0.00 0.00 0.00 175.10 174.60 3f1t s GLY 134 N 0.21 -0.03 0.06 4.51 0.00 -0.59 -0.45 107.32 111.03 3f1t s GLY 134 Ca -0.02 0.05 0.08 0.00 0.00 0.00 0.00 44.72 44.83 3f1t s GLY 134 CO -0.00 -0.11 -0.22 0.00 0.00 0.00 0.00 173.10 172.77 3f1t s ALA 135 N -1.29 2.47 0.00 3.20 0.00 -0.28 -1.05 121.76 124.80 3f1t s ALA 135 Ca -0.14 -1.27 0.00 0.00 0.00 0.00 0.00 51.96 50.56 3f1t s ALA 135 Cb -0.07 -0.60 0.00 0.00 0.00 0.00 0.00 23.12 22.45 3f1t s ALA 135 CO 0.02 0.56 0.00 1.19 0.00 0.00 0.00 175.76 177.53 3f1t n PHE 136 N 1.48 0.00 -1.82 0.00 3.72 -0.29 -0.44 117.46 120.10 3f1t n PHE 136 Ca -0.17 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.23 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