#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cyv n ILE 2 N 0.00 -0.42 -0.80 1.12 3.06 -1.26 -5.13 119.36 115.93 1cyv n ILE 2 Ca 0.00 -3.17 0.00 0.00 -2.50 0.00 0.00 62.75 57.08 1cyv n ILE 2 Cb 0.00 -0.64 0.00 0.00 0.54 0.00 0.00 39.64 39.54 1cyv n ILE 2 CO 0.00 0.00 0.00 -0.81 -2.50 0.00 0.00 176.55 173.24 1cyv n PRO 3 N 1.38 -0.14 -1.93 9.51 -0.04 -1.26 -4.80 135.00 137.71 1cyv n PRO 3 Ca 0.17 0.00 -0.38 0.00 -0.04 0.00 0.00 63.50 63.25 1cyv n PRO 3 Cb 0.58 0.00 -0.01 0.00 -0.04 0.00 0.00 33.50 34.02 1cyv n PRO 3 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1cyv n GLY 4 N 4.38 5.11 3.94 0.55 0.00 -1.26 -4.74 105.19 113.17 1cyv n GLY 4 Ca 0.00 -2.03 -0.37 0.00 0.00 0.00 0.00 46.02 43.62 1cyv n GLY 4 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1cyv n GLY 5 N 1.63 -0.74 0.00 -0.02 0.00 -1.26 -4.62 105.19 100.19 1cyv n GLY 5 Ca 0.61 0.34 0.00 0.00 0.00 0.00 0.00 46.02 46.97 1cyv n GLY 5 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 1cyv n LEU 6 N -4.60 0.00 0.00 0.99 -0.00 -1.26 -3.74 117.00 108.38 1cyv n LEU 6 Ca -0.15 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.86 1cyv n LEU 6 Cb 0.60 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 44.02 1cyv n LEU 6 CO 0.73 -0.99 0.00 -1.20 -0.00 0.00 0.00 177.39 175.93 1cyv n SER 7 N -1.30 0.00 -4.38 1.45 7.64 -1.26 -4.16 113.62 111.62 1cyv n SER 7 Ca 0.00 0.00 -0.46 0.00 1.01 0.00 0.00 58.87 59.42 1cyv n SER 7 Cb 0.00 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.18 1cyv n SER 7 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 1cyv s GLU 8 N 0.00 3.65 -0.21 1.43 0.41 -1.25 -4.96 118.70 117.77 1cyv s GLU 8 Ca 0.00 -2.27 -0.30 0.00 -0.41 0.00 0.00 54.97 51.99 1cyv s GLU 8 Cb 0.00 -4.62 0.15 0.00 -1.78 0.00 0.00 34.13 27.88 1cyv s GLU 8 CO 0.00 -1.47 1.13 0.00 -0.49 0.00 0.00 175.26 174.43 1cyv s ALA 9 N 0.98 -2.00 0.27 5.21 0.00 -1.25 -1.80 121.76 123.17 1cyv s ALA 9 Ca 0.24 1.70 0.10 0.00 0.00 0.00 0.00 51.96 54.00 1cyv s ALA 9 Cb -0.08 -1.02 -0.05 0.00 0.00 0.00 0.00 23.12 21.97 1cyv s ALA 9 CO -0.09 -0.28 -0.16 0.15 0.00 0.00 0.00 175.76 175.39 1cyv s LYS 10 N -1.02 1.60 -0.50 0.00 1.02 -1.15 -4.91 119.74 114.77 1cyv s LYS 10 Ca 0.02 -1.75 -0.28 0.00 0.02 0.00 0.00 55.97 53.98 1cyv s LYS 10 Cb -0.01 -1.54 0.02 0.00 -0.52 0.00 0.00 37.83 35.78 1cyv s LYS 10 CO -0.02 0.24 1.34 -1.25 -0.92 0.00 0.00 175.35 174.74 1cyv s PRO 11 N -3.58 3.48 0.00 -1.68 0.04 -1.26 -2.32 135.00 129.68 1cyv s PRO 11 Ca 0.28 0.61 0.00 0.00 0.04 0.00 0.00 61.00 61.94 1cyv s PRO 11 Cb -0.02 -4.04 0.00 0.00 0.04 0.00 0.00 34.50 30.48 1cyv s PRO 11 CO 0.13 -1.70 0.00 0.00 0.04 0.00 0.00 177.00 175.47 1cyv n ALA 12 N 8.92 -1.00 -1.68 8.56 0.00 -0.34 -4.83 120.51 130.14 1cyv n ALA 12 Ca 0.13 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.28 1cyv n ALA 12 Cb 0.49 -0.32 0.15 0.00 0.00 0.00 0.00 19.45 19.77 1cyv n ALA 12 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1cyv s THR 13 N 0.00 1.96 -1.50 0.00 -4.23 -1.26 -4.77 115.64 105.83 1cyv s THR 13 Ca 0.00 0.00 0.24 0.00 -1.18 0.00 0.00 61.69 60.75 1cyv s THR 13 Cb 0.00 -2.85 0.46 0.00 1.34 0.00 0.00 72.50 71.45 1cyv s THR 13 CO 0.00 0.00 1.82 -0.81 -0.54 0.00 0.00 174.62 175.09 1cyv n PRO 14 N -3.76 0.40 -0.07 3.99 -0.04 -1.26 -1.49 135.00 132.77 1cyv n PRO 14 Ca 0.10 0.05 -0.08 0.00 -0.04 0.00 0.00 63.50 63.52 1cyv n PRO 14 Cb 0.60 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.53 1cyv n PRO 14 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 1cyv n GLU 15 N -1.25 0.44 -0.15 0.54 2.13 -1.26 -4.11 120.64 116.98 1cyv n GLU 15 Ca 0.12 0.17 -0.03 0.00 0.66 0.00 0.00 57.16 58.09 1cyv n GLU 15 Cb 0.18 -1.27 0.06 0.00 0.27 0.00 0.00 31.44 30.68 1cyv n GLU 15 CO 0.00 0.00 0.00 0.82 -0.41 0.00 0.00 177.13 177.54 1cyv h ILE 16 N -0.82 0.74 -0.04 6.31 1.08 -1.93 0.18 117.51 123.03 1cyv h ILE 16 Ca -0.03 -0.08 0.01 0.00 -0.39 0.00 0.00 64.86 64.37 1cyv h ILE 16 Cb 0.86 0.48 -0.00 0.00 -3.07 0.00 0.00 36.82 35.09 1cyv h ILE 16 CO -0.02 0.04 0.03 0.06 -0.69 0.00 0.00 178.15 177.57 1cyv h GLN 17 N 0.24 0.00 -0.38 2.37 3.07 -1.52 0.14 115.11 119.03 1cyv h GLN 17 Ca 0.24 0.00 -0.02 0.00 0.09 0.00 0.00 58.65 58.96 1cyv h GLN 17 Cb 0.31 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 27.85 1cyv h GLN 17 CO -0.31 0.00 0.15 1.49 0.09 0.00 0.00 178.83 180.25 1cyv h GLU 18 N 0.00 0.54 -0.40 0.06 4.81 -0.80 0.12 114.58 118.91 1cyv h GLU 18 Ca 0.02 -0.07 -0.02 0.00 -0.13 0.00 0.00 59.36 59.16 1cyv h GLU 18 Cb 0.08 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.34 1cyv h GLU 18 CO -0.00 0.45 0.17 0.97 -0.73 0.00 0.00 179.01 179.87 1cyv h ILE 19 N 0.54 1.15 0.00 2.32 -0.00 -0.48 0.10 117.51 121.14 1cyv h ILE 19 Ca 0.13 -0.45 -0.03 0.00 -0.00 0.00 0.00 64.86 64.51 1cyv h ILE 19 Cb 0.12 0.66 -0.00 0.00 -0.00 0.00 0.00 36.82 37.60 1cyv h ILE 19 CO -0.01 0.18 -0.16 0.58 -0.00 0.00 0.00 178.15 178.74 1cyv h VAL 20 N 0.56 0.39 -0.25 2.19 2.07 -0.65 -2.30 116.25 118.26 1cyv h VAL 20 Ca 0.14 -0.95 0.00 0.00 0.82 0.00 0.00 66.70 66.71 1cyv h VAL 20 Cb 0.10 1.70 0.00 0.00 -1.52 0.00 0.00 31.29 31.57 1cyv h VAL 20 CO -0.02 0.15 0.00 -0.67 0.02 0.00 0.00 177.57 177.06 1cyv n ASP 21 N -3.31 3.26 0.00 0.57 2.03 0.17 -3.32 116.55 115.96 1cyv n ASP 21 Ca 0.00 -1.99 0.00 0.00 0.52 0.00 0.00 54.79 53.32 1cyv n ASP 21 Cb 0.40 -0.15 0.00 0.00 -0.72 0.00 0.00 41.12 40.64 1cyv n ASP 21 CO 0.00 0.00 0.00 1.17 -1.92 0.00 0.00 177.20 176.45 1cyv n LYS 22 N 1.42 0.00 0.00 -0.67 3.00 -0.16 -4.42 118.16 117.33 1cyv n LYS 22 Ca 0.17 0.00 0.14 0.00 -0.00 0.00 0.00 58.31 58.63 1cyv n LYS 22 Cb 0.60 -0.19 0.63 0.00 0.00 0.00 0.00 35.03 36.07 1cyv n LYS 22 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 1cyv n VAL 23 N -2.09 0.00 -2.67 3.15 0.31 -0.93 -3.88 118.33 112.21 1cyv n VAL 23 Ca 0.00 -0.03 -0.19 0.00 -0.01 0.00 0.00 64.34 64.11 1cyv n VAL 23 Cb 0.00 -0.23 0.00 0.00 -0.91 0.00 0.00 33.84 32.71 1cyv n VAL 23 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 1cyv n LYS 24 N -1.13 2.26 0.00 5.55 4.01 -1.20 -4.84 118.16 122.81 1cyv n LYS 24 Ca 0.13 -3.94 0.06 0.00 -0.51 0.00 0.00 58.31 54.05 1cyv n LYS 24 Cb 0.27 -1.80 0.36 0.00 -0.51 0.00 0.00 35.03 33.35 1cyv n LYS 24 CO 0.00 0.00 0.00 -0.35 -1.11 0.00 0.00 177.40 175.94 1cyv n PRO 25 N -0.21 0.73 0.00 1.97 -0.04 -1.21 -0.85 135.00 135.39 1cyv n PRO 25 Ca 0.25 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.71 1cyv n PRO 25 Cb 0.69 -1.26 0.00 0.00 -0.04 0.00 0.00 33.50 32.90 1cyv n PRO 25 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 1cyv n GLN 26 N -0.76 0.00 0.09 0.54 6.02 -1.26 -4.43 117.38 117.58 1cyv n GLN 26 Ca 0.09 0.00 0.08 0.00 -0.01 0.00 0.00 57.00 57.16 1cyv n GLN 26 Cb 0.04 -0.61 0.39 0.00 1.02 0.00 0.00 30.24 31.08 1cyv n GLN 26 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1cyv n LEU 27 N -2.84 0.38 0.00 1.08 4.77 -1.19 -0.02 117.00 119.18 1cyv n LEU 27 Ca 0.00 0.63 0.11 0.00 -0.03 0.00 0.00 56.01 56.73 1cyv n LEU 27 Cb 0.48 -0.63 0.10 0.00 -2.33 0.00 0.00 43.42 41.04 1cyv n LEU 27 CO 0.00 -0.62 0.24 1.21 -1.33 0.00 0.00 177.39 176.88 1cyv n GLU 28 N -1.96 0.01 -0.55 3.23 0.00 -0.03 -4.32 120.64 117.02 1cyv n GLU 28 Ca 0.01 -0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.17 1cyv n GLU 28 Cb 0.11 -1.50 0.00 0.00 0.00 0.00 0.00 31.44 30.04 1cyv n GLU 28 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.13 176.28 1cyv n GLU 29 N -1.52 0.00 -0.03 5.31 0.28 -0.42 -4.52 120.64 119.74 1cyv n GLU 29 Ca 0.05 -0.84 -0.02 0.00 -0.16 0.00 0.00 57.16 56.19 1cyv n GLU 29 Cb 0.34 -0.37 -0.01 0.00 1.43 0.00 0.00 31.44 32.83 1cyv n GLU 29 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 177.13 178.14 1cyv n LYS 30 N 0.02 0.20 -0.48 3.44 4.81 0.98 -4.07 118.16 123.06 1cyv n LYS 30 Ca -0.00 0.29 0.43 0.00 -0.87 0.00 0.00 58.31 58.16 1cyv n LYS 30 Cb 0.68 -1.08 0.78 0.00 0.02 0.00 0.00 35.03 35.43 1cyv n LYS 30 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1cyv h THR 31 N -0.43 0.22 -6.32 3.15 1.03 -1.80 -3.42 112.91 105.34 1cyv h THR 31 Ca 0.00 0.00 -0.48 0.00 -0.01 0.00 0.00 66.41 65.92 1cyv h THR 31 Cb 0.27 0.22 -0.27 0.00 -1.07 0.00 0.00 68.15 67.30 1cyv h THR 31 CO 0.00 0.00 -0.71 -0.46 -0.01 0.00 0.00 175.52 174.34 1cyv n ASN 32 N -4.03 -0.98 -4.72 0.00 0.23 -1.26 -4.83 115.26 99.67 1cyv n ASN 32 Ca 0.34 -0.97 -0.31 0.00 -0.53 0.00 0.00 54.58 53.11 1cyv n ASN 32 Cb 1.59 -1.23 0.13 0.00 -2.08 0.00 0.00 39.78 38.18 1cyv n ASN 32 CO 0.00 0.00 0.00 -1.61 -0.93 0.00 0.00 177.26 174.72 1cyv s GLU 33 N -5.93 1.56 -0.34 -3.83 0.41 -1.26 -4.89 118.70 104.41 1cyv s GLU 33 Ca 0.52 1.14 -0.01 0.00 -0.41 0.00 0.00 54.97 56.21 1cyv s GLU 33 Cb -0.30 -1.82 0.25 0.00 -1.78 0.00 0.00 34.13 30.48 1cyv s GLU 33 CO 0.79 -2.13 1.96 -2.37 -0.49 0.00 0.00 175.26 173.02 1cyv n THR 34 N -3.85 2.78 -2.23 3.63 5.66 -1.26 -4.84 114.28 114.17 1cyv n THR 34 Ca 0.09 -1.68 0.00 0.00 -3.05 0.00 0.00 64.05 59.41 1cyv n THR 34 Cb 0.53 -1.25 0.00 0.00 -1.55 0.00 0.00 70.33 68.07 1cyv n THR 34 CO 0.00 0.00 0.00 -1.22 -3.05 0.00 0.00 175.07 170.80 1cyv n TYR 35 N 0.16 0.00 -3.19 1.09 4.01 -1.26 -5.06 117.16 112.90 1cyv n TYR 35 Ca 0.33 0.00 -0.30 0.00 -0.16 0.00 0.00 57.90 57.76 1cyv n TYR 35 Cb 0.65 0.00 -0.05 0.00 -0.31 0.00 0.00 39.34 39.63 1cyv n TYR 35 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1cyv n GLY 36 N 0.00 5.16 1.44 2.72 0.00 -1.26 -4.69 105.19 108.56 1cyv n GLY 36 Ca 0.00 -2.75 0.02 0.00 0.00 0.00 0.00 46.02 43.29 1cyv n GLY 36 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1cyv n LYS 37 N 0.60 0.85 -2.90 1.61 4.01 -1.26 -4.86 118.16 116.20 1cyv n LYS 37 Ca 0.31 -2.66 -0.31 0.00 -0.51 0.00 0.00 58.31 55.14 1cyv n LYS 37 Cb 0.38 -0.76 -0.03 0.00 -0.51 0.00 0.00 35.03 34.11 1cyv n LYS 37 CO 0.00 0.00 0.00 1.28 -1.11 0.00 0.00 177.40 177.57 1cyv n LEU 38 N -0.14 5.16 0.00 -0.35 7.99 -1.26 0.40 117.00 128.79 1cyv n LEU 38 Ca 0.12 -5.59 0.00 0.00 -0.01 0.00 0.00 56.01 50.52 1cyv n LEU 38 Cb 0.97 -0.72 0.00 0.00 -0.11 0.00 0.00 43.42 43.56 1cyv n LEU 38 CO -0.00 2.25 0.00 1.21 -1.51 0.00 0.00 177.39 179.34 1cyv n GLU 39 N -0.10 0.00 -1.70 3.23 4.07 -1.14 -4.83 120.64 120.17 1cyv n GLU 39 Ca 0.34 0.00 -0.31 0.00 -0.06 0.00 0.00 57.16 57.13 1cyv n GLU 39 Cb 0.36 0.00 0.04 0.00 -0.06 0.00 0.00 31.44 31.78 1cyv n GLU 39 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1cyv s ALA 40 N -1.00 2.70 -0.25 4.31 0.00 -1.26 -0.79 121.76 125.48 1cyv s ALA 40 Ca 0.00 0.16 0.04 0.00 0.00 0.00 0.00 51.96 52.17 1cyv s ALA 40 Cb 0.00 -3.19 -0.18 0.00 0.00 0.00 0.00 23.12 19.75 1cyv s ALA 40 CO 0.00 -1.11 -0.18 1.55 0.00 0.00 0.00 175.76 176.02 1cyv n VAL 41 N -2.83 1.45 0.00 0.00 3.14 -0.25 -3.96 118.33 115.88 1cyv n VAL 41 Ca 0.08 -0.60 0.00 0.00 -2.96 0.00 0.00 64.34 60.86 1cyv n VAL 41 Cb 0.53 -1.27 0.00 0.00 -1.06 0.00 0.00 33.84 32.04 1cyv n VAL 41 CO 0.00 0.00 0.00 1.67 -6.46 0.00 0.00 176.83 172.04 1cyv n GLN 42 N -3.17 0.00 -3.64 1.45 0.00 -0.34 -1.20 117.38 110.48 1cyv n GLN 42 Ca -0.43 0.00 -0.17 0.00 -0.00 0.00 0.00 57.00 56.40 1cyv n GLN 42 Cb 1.01 0.00 -0.15 0.00 0.00 0.00 0.00 30.24 31.10 1cyv n GLN 42 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.06 178.58 1cyv s TYR 43 N -2.00 -0.21 0.19 3.69 1.13 -0.98 -1.33 117.35 117.84 1cyv s TYR 43 Ca 0.00 0.56 -0.05 0.00 -1.41 0.00 0.00 57.07 56.18 1cyv s TYR 43 Cb 0.00 -0.26 -0.05 0.00 -1.10 0.00 0.00 41.96 40.54 1cyv s TYR 43 CO 0.00 -0.34 0.43 0.21 -2.51 0.00 0.00 175.55 173.34 1cyv s LYS 44 N 2.31 3.62 -0.09 -3.49 2.47 -0.45 -2.96 119.74 121.16 1cyv s LYS 44 Ca 0.03 -0.08 0.03 0.00 -1.56 0.00 0.00 55.97 54.39 1cyv s LYS 44 Cb -0.13 -2.79 0.01 0.00 -1.46 0.00 0.00 37.83 33.46 1cyv s LYS 44 CO -0.07 0.39 -0.19 0.95 0.16 0.00 0.00 175.35 176.59 1cyv s THR 45 N -1.79 1.69 -0.18 3.43 -4.23 -0.74 -1.55 115.64 112.27 1cyv s THR 45 Ca 0.42 -0.80 -0.14 0.00 -1.18 0.00 0.00 61.69 59.99 1cyv s THR 45 Cb -0.12 -1.48 0.05 0.00 1.34 0.00 0.00 72.50 72.29 1cyv s THR 45 CO 0.26 0.48 0.45 0.00 -0.54 0.00 0.00 174.62 175.27 1cyv s GLN 46 N 0.48 0.50 0.00 3.99 -2.07 -1.01 -4.86 119.66 116.69 1cyv s GLN 46 Ca -0.17 0.71 0.00 0.00 -1.82 0.00 0.00 55.36 54.08 1cyv s GLN 46 Cb -0.17 0.16 0.00 0.00 -1.09 0.00 0.00 33.01 31.91 1cyv s GLN 46 CO 0.07 -0.10 0.00 1.33 -1.32 0.00 0.00 175.29 175.27 1cyv n VAL 47 N 3.37 0.00 0.00 3.63 0.24 -1.26 0.86 118.33 125.17 1cyv n VAL 47 Ca -0.17 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.13 1cyv n VAL 47 Cb 0.56 -0.28 0.00 0.00 -1.47 0.00 0.00 33.84 32.66 1cyv n VAL 47 CO 0.00 0.00 0.00 0.55 -2.14 0.00 0.00 176.83 175.24 1cyv n VAL 48 N -0.72 0.00 0.00 3.34 3.14 -1.26 -3.24 118.33 119.59 1cyv n VAL 48 Ca 0.00 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.38 1cyv n VAL 48 Cb 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 32.78 1cyv n VAL 48 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1cyv n ALA 49 N 0.00 0.00 0.00 1.55 0.00 -1.26 -4.93 120.51 115.87 1cyv n ALA 49 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1cyv n ALA 49 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1cyv n ALA 49 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1cyv n GLY 50 N 0.00 0.61 0.00 0.00 0.00 -1.25 -0.12 105.19 104.43 1cyv n GLY 50 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1cyv n GLY 50 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1cyv n THR 51 N 0.00 0.00 -1.93 2.61 -1.04 -1.26 -4.44 114.28 108.21 1cyv n THR 51 Ca 0.00 0.00 -0.33 0.00 -2.04 0.00 0.00 64.05 61.68 1cyv n THR 51 Cb 0.00 0.00 0.03 0.00 -1.82 0.00 0.00 70.33 68.54 1cyv n THR 51 CO 0.00 0.00 0.00 0.21 -0.64 0.00 0.00 175.07 174.64 1cyv s ASN 52 N 0.00 5.38 -0.03 8.00 3.84 0.25 -3.10 114.94 129.28 1cyv s ASN 52 Ca 0.00 2.01 -0.00 0.00 0.21 0.00 0.00 52.86 55.07 1cyv s ASN 52 Cb 0.00 -2.56 0.03 0.00 -0.55 0.00 0.00 41.25 38.17 1cyv s ASN 52 CO 0.00 -1.45 0.05 -0.31 -2.79 0.00 0.00 177.10 172.60 1cyv s TYR 53 N -2.22 -0.00 -0.66 0.43 2.02 0.38 -2.41 117.35 114.89 1cyv s TYR 53 Ca 0.68 0.17 -0.08 0.00 -0.37 0.00 0.00 57.07 57.47 1cyv s TYR 53 Cb -0.20 -0.19 0.17 0.00 -0.40 0.00 0.00 41.96 41.33 1cyv s TYR 53 CO 0.37 -0.09 0.53 -0.47 -1.57 0.00 0.00 175.55 174.31 1cyv s TYR 54 N 0.99 3.53 -0.93 2.71 5.04 -0.59 0.26 117.35 128.35 1cyv s TYR 54 Ca -0.08 -2.28 -0.16 0.00 -2.44 0.00 0.00 57.07 52.12 1cyv s TYR 54 Cb -0.11 -3.48 0.18 0.00 0.35 0.00 0.00 41.96 38.90 1cyv s TYR 54 CO -0.03 -0.93 1.01 0.42 -1.34 0.00 0.00 175.55 174.68 1cyv s ILE 55 N 0.35 5.23 -0.46 3.14 -1.09 0.20 -1.34 121.20 127.23 1cyv s ILE 55 Ca 0.15 -2.20 -0.29 0.00 -2.23 0.00 0.00 60.65 56.08 1cyv s ILE 55 Cb -0.18 -4.65 0.03 0.00 -1.58 0.00 0.00 42.46 36.07 1cyv s ILE 55 CO -0.05 -1.30 1.18 -0.75 -1.23 0.00 0.00 174.94 172.79 1cyv s LYS 56 N 1.22 3.71 0.21 2.79 2.20 -0.44 0.37 119.74 129.79 1cyv s LYS 56 Ca 0.28 0.63 -0.14 0.00 -0.36 0.00 0.00 55.97 56.38 1cyv s LYS 56 Cb -0.07 -3.92 -0.08 0.00 -1.51 0.00 0.00 37.83 32.25 1cyv s LYS 56 CO -0.08 -1.40 0.60 0.54 -0.36 0.00 0.00 175.35 174.65 1cyv s VAL 57 N 4.59 4.81 -0.04 4.02 0.11 -0.87 -1.09 120.40 131.92 1cyv s VAL 57 Ca 0.50 0.81 -0.11 0.00 -2.93 0.00 0.00 61.98 60.25 1cyv s VAL 57 Cb -0.08 -3.70 -0.05 0.00 -1.53 0.00 0.00 36.38 31.02 1cyv s VAL 57 CO 0.32 0.08 0.30 -0.60 -3.33 0.00 0.00 175.10 171.87 1cyv s ARG 58 N -2.37 3.72 -0.06 1.54 3.52 0.03 -1.36 118.95 123.97 1cyv s ARG 58 Ca 0.44 0.17 0.16 0.00 -0.13 0.00 0.00 55.73 56.37 1cyv s ARG 58 Cb -0.13 -3.19 0.31 0.00 -1.56 0.00 0.00 34.95 30.38 1cyv s ARG 58 CO 0.20 0.71 1.14 0.00 -0.81 0.00 0.00 175.30 176.54 1cyv n ALA 59 N 1.77 2.54 0.00 6.12 0.00 -1.12 -2.90 120.51 126.93 1cyv n ALA 59 Ca -0.16 -2.27 0.00 0.00 0.00 0.00 0.00 53.44 51.02 1cyv n ALA 59 Cb 0.53 -0.56 0.00 0.00 0.00 0.00 0.00 19.45 19.43 1cyv n ALA 59 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1cyv n GLY 60 N -0.20 0.71 0.00 0.00 0.00 1.30 -3.50 105.19 103.50 1cyv n GLY 60 Ca 0.09 -2.23 0.14 0.00 0.00 0.00 0.00 46.02 44.02 1cyv n GLY 60 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1cyv n ASP 61 N 0.00 0.00 -0.03 1.61 2.03 -1.26 -3.87 116.55 115.02 1cyv n ASP 61 Ca 0.00 0.18 -0.04 0.00 0.52 0.00 0.00 54.79 55.45 1cyv n ASP 61 Cb 0.00 -0.39 -0.03 0.00 -0.72 0.00 0.00 41.12 39.97 1cyv n ASP 61 CO 0.00 0.00 0.00 -0.46 -1.92 0.00 0.00 177.20 174.82 1cyv n ASN 62 N -1.39 3.50 -4.95 1.67 6.94 -1.26 -5.03 115.26 114.74 1cyv n ASN 62 Ca 0.11 -0.03 -0.24 0.00 -0.02 0.00 0.00 54.58 54.39 1cyv n ASN 62 Cb 0.29 -0.05 -0.02 0.00 -2.36 0.00 0.00 39.78 37.63 1cyv n ASN 62 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 1cyv s LYS 63 N -2.13 3.47 -0.28 -3.83 1.02 -1.23 -2.71 119.74 114.05 1cyv s LYS 63 Ca -0.08 -0.54 -0.23 0.00 0.02 0.00 0.00 55.97 55.14 1cyv s LYS 63 Cb 0.02 -2.85 0.11 0.00 -0.52 0.00 0.00 37.83 34.59 1cyv s LYS 63 CO 0.16 0.39 0.94 -0.47 -0.92 0.00 0.00 175.35 175.44 1cyv s TYR 64 N -1.96 -0.60 0.39 3.18 5.04 -1.26 -2.77 117.35 119.36 1cyv s TYR 64 Ca 0.36 1.38 0.00 0.00 -2.44 0.00 0.00 57.07 56.38 1cyv s TYR 64 Cb -0.10 0.36 0.00 0.00 0.35 0.00 0.00 41.96 42.57 1cyv s TYR 64 CO 0.30 -0.29 0.00 1.28 -1.34 0.00 0.00 175.55 175.50 1cyv n LEU 65 N 2.70 0.00 -3.50 6.97 4.32 -0.46 -3.85 117.00 123.18 1cyv n LEU 65 Ca -0.14 -2.41 -0.13 0.00 -0.02 0.00 0.00 56.01 53.31 1cyv n LEU 65 Cb 0.56 0.27 -0.04 0.00 -1.62 0.00 0.00 43.42 42.59 1cyv n LEU 65 CO 0.02 -0.34 0.54 -2.28 -1.22 0.00 0.00 177.39 174.11 1cyv s HIS 66 N -2.38 -0.52 0.20 -1.77 2.46 -1.18 -2.05 115.29 110.04 1cyv s HIS 66 Ca 0.00 0.68 -0.19 0.00 0.47 0.00 0.00 55.06 56.02 1cyv s HIS 66 Cb -0.00 0.48 0.04 0.00 -0.13 0.00 0.00 32.58 32.96 1cyv s HIS 66 CO 0.00 -0.60 0.57 -1.17 -2.47 0.00 0.00 174.74 171.07 1cyv s LEU 67 N -1.77 -0.13 -0.30 8.88 2.96 0.16 0.10 118.68 128.57 1cyv s LEU 67 Ca -0.04 -0.38 -0.03 0.00 -0.22 0.00 0.00 54.13 53.46 1cyv s LEU 67 Cb -0.01 2.35 0.10 0.00 0.50 0.00 0.00 46.19 49.14 1cyv s LEU 67 CO -0.00 -1.08 0.13 -0.75 -1.32 0.00 0.00 176.35 173.33 1cyv s LYS 68 N -3.85 0.28 0.08 1.98 2.36 -1.13 0.60 119.74 120.06 1cyv s LYS 68 Ca 0.07 -0.66 -0.28 0.00 -2.55 0.00 0.00 55.97 52.55 1cyv s LYS 68 Cb -0.02 -1.27 -0.06 0.00 -1.05 0.00 0.00 37.83 35.43 1cyv s LYS 68 CO -0.04 -1.03 0.87 0.08 1.55 0.00 0.00 175.35 176.78 1cyv s VAL 69 N 1.95 4.62 -0.04 4.02 1.01 0.14 -3.27 120.40 128.84 1cyv s VAL 69 Ca 0.10 1.86 -0.02 0.00 0.00 0.00 0.00 61.98 63.93 1cyv s VAL 69 Cb -0.17 -4.22 0.03 0.00 0.00 0.00 0.00 36.38 32.02 1cyv s VAL 69 CO -0.32 0.33 0.05 0.12 0.00 0.00 0.00 175.10 175.28 1cyv s PHE 70 N 0.01 0.09 -1.29 5.22 5.36 0.22 0.14 117.98 127.73 1cyv s PHE 70 Ca 0.43 0.21 -0.08 0.00 -0.96 0.00 0.00 56.93 56.53 1cyv s PHE 70 Cb -0.22 -0.45 0.16 0.00 -0.34 0.00 0.00 43.02 42.17 1cyv s PHE 70 CO 0.26 -0.18 1.99 1.63 -1.46 0.00 0.00 175.22 177.46 1cyv n LYS 71 N 5.07 3.82 -1.48 10.12 5.02 -1.18 0.01 118.16 139.53 1cyv n LYS 71 Ca -0.08 -3.51 -0.57 0.00 -2.02 0.00 0.00 58.31 52.13 1cyv n LYS 71 Cb 0.50 -2.86 -0.07 0.00 -0.02 0.00 0.00 35.03 32.58 1cyv n LYS 71 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 1cyv n SER 72 N 3.40 -0.20 -2.65 4.39 7.64 -1.24 -4.21 113.62 120.75 1cyv n SER 72 Ca 0.44 1.15 -0.02 0.00 1.01 0.00 0.00 58.87 61.45 1cyv n SER 72 Cb 0.34 -0.93 0.12 0.00 -1.01 0.00 0.00 64.21 62.72 1cyv n SER 72 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 1cyv n LEU 73 N 1.62 -1.06 -2.03 -3.43 0.00 0.82 -4.17 117.00 108.75 1cyv n LEU 73 Ca 0.20 -1.59 -0.13 0.00 0.00 0.00 0.00 56.01 54.48 1cyv n LEU 73 Cb 0.12 0.97 -0.15 0.00 0.00 0.00 0.00 43.42 44.36 1cyv n LEU 73 CO 0.60 1.52 1.59 -0.81 0.00 0.00 0.00 177.39 180.30 1cyv n PRO 74 N 0.55 2.00 0.00 1.96 -0.04 0.37 -3.86 135.00 135.98 1cyv n PRO 74 Ca -0.07 -1.09 0.00 0.00 -0.04 0.00 0.00 63.50 62.30 1cyv n PRO 74 Cb 0.76 -1.98 0.00 0.00 -0.04 0.00 0.00 33.50 32.25 1cyv n PRO 74 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1cyv n GLY 75 N 2.31 2.04 0.20 0.55 0.00 -1.26 -4.61 105.19 104.41 1cyv n GLY 75 Ca 0.42 -0.32 0.14 0.00 0.00 0.00 0.00 46.02 46.26 1cyv n GLY 75 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 1cyv h GLN 76 N 0.00 0.00 -5.29 1.61 5.75 -1.97 -3.48 115.11 111.73 1cyv h GLN 76 Ca 0.00 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.50 1cyv h GLN 76 Cb 0.00 0.00 -0.04 0.00 1.07 0.00 0.00 27.48 28.51 1cyv h GLN 76 CO 0.00 0.00 -1.12 -1.71 -2.65 0.00 0.00 178.83 173.35 1cyv n ASN 77 N -2.76 -5.75 -3.56 -0.69 4.05 -1.26 -4.98 115.26 100.31 1cyv n ASN 77 Ca 0.03 1.28 -0.27 0.00 0.45 0.00 0.00 54.58 56.07 1cyv n ASN 77 Cb 0.37 -4.73 -0.10 0.00 1.23 0.00 0.00 39.78 36.54 1cyv n ASN 77 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 177.26 173.59 1cyv n GLU 78 N 1.15 0.91 0.00 1.20 1.02 -1.26 -5.01 120.64 118.64 1cyv n GLU 78 Ca -0.12 -3.71 0.00 0.00 -0.02 0.00 0.00 57.16 53.31 1cyv n GLU 78 Cb 0.24 -1.89 0.00 0.00 -0.02 0.00 0.00 31.44 29.77 1cyv n GLU 78 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 1cyv n ASP 79 N 2.35 -1.43 0.00 1.62 2.03 -1.26 -4.80 116.55 115.06 1cyv n ASP 79 Ca 0.26 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.57 1cyv n ASP 79 Cb 0.43 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.83 1cyv n ASP 79 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1cyv n LEU 80 N 0.00 0.00 0.00 -2.67 -0.00 -1.26 -3.61 117.00 109.46 1cyv n LEU 80 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.01 1cyv n LEU 80 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.42 1cyv n LEU 80 CO 0.00 0.00 0.00 0.52 -0.00 0.00 0.00 177.39 177.91 1cyv n VAL 81 N 0.00 0.00 -3.09 1.47 0.31 0.10 -4.31 118.33 112.81 1cyv n VAL 81 Ca 0.00 0.00 -0.19 0.00 -0.01 0.00 0.00 64.34 64.14 1cyv n VAL 81 Cb 0.00 0.00 -0.04 0.00 -0.91 0.00 0.00 33.84 32.89 1cyv n VAL 81 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 1cyv n LEU 82 N 0.00 -1.14 0.00 7.52 4.32 -1.26 -0.61 117.00 125.83 1cyv n LEU 82 Ca 0.00 -4.08 0.00 0.00 -0.02 0.00 0.00 56.01 51.91 1cyv n LEU 82 Cb 0.00 0.68 0.00 0.00 -1.62 0.00 0.00 43.42 42.48 1cyv n LEU 82 CO 0.00 1.98 0.46 0.41 -1.22 0.00 0.00 177.39 179.03 1cyv n THR 83 N 2.04 1.34 -4.30 -5.08 -1.04 -1.23 -4.48 114.28 101.53 1cyv n THR 83 Ca 0.20 0.44 -0.28 0.00 -2.04 0.00 0.00 64.05 62.37 1cyv n THR 83 Cb 0.54 -1.44 -0.11 0.00 -1.82 0.00 0.00 70.33 67.50 1cyv n THR 83 CO 0.00 0.00 0.00 -0.83 -0.64 0.00 0.00 175.07 173.60 1cyv s GLY 84 N -2.64 1.72 0.00 3.41 0.00 -1.20 -4.78 107.32 103.82 1cyv s GLY 84 Ca 0.00 -1.41 0.00 0.00 0.00 0.00 0.00 44.72 43.31 1cyv s GLY 84 CO 0.00 -1.41 0.00 1.58 0.00 0.00 0.00 173.10 173.27 1cyv n TYR 85 N 0.48 0.00 -3.50 1.90 0.18 -1.10 -2.85 117.16 112.26 1cyv n TYR 85 Ca -0.13 0.00 -0.13 0.00 1.88 0.00 0.00 57.90 59.51 1cyv n TYR 85 Cb 0.54 0.00 -0.04 0.00 -0.38 0.00 0.00 39.34 39.46 1cyv n TYR 85 CO 0.00 0.00 0.00 -0.65 -2.08 0.00 0.00 176.86 174.13 1cyv s GLN 86 N 0.00 1.01 0.00 -3.48 -1.52 0.28 -4.85 119.66 111.10 1cyv s GLN 86 Ca 0.00 -0.08 0.00 0.00 -1.95 0.00 0.00 55.36 53.33 1cyv s GLN 86 Cb 0.00 0.47 0.00 0.00 -0.22 0.00 0.00 33.01 33.26 1cyv s GLN 86 CO 0.00 -0.38 0.00 1.55 -0.25 0.00 0.00 175.29 176.21 1cyv n VAL 87 N 0.29 0.00 -0.87 1.09 3.14 -1.26 -3.13 118.33 117.58 1cyv n VAL 87 Ca -0.15 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.23 1cyv n VAL 87 Cb 0.60 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.38 1cyv n VAL 87 CO 0.00 0.00 0.00 -0.90 -6.46 0.00 0.00 176.83 169.47 1cyv n ASP 88 N 0.00 0.00 -1.16 6.55 5.75 -1.25 -3.35 116.55 123.10 1cyv n ASP 88 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.78 1cyv n ASP 88 Cb 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.09 1cyv n ASP 88 CO 0.00 0.00 0.00 1.17 -0.11 0.00 0.00 177.20 178.26 1cyv n LYS 89 N 0.00 0.00 -4.04 0.11 4.81 -1.26 -3.88 118.16 113.90 1cyv n LYS 89 Ca 0.00 0.00 -0.32 0.00 -0.87 0.00 0.00 58.31 57.12 1cyv n LYS 89 Cb 0.00 -1.76 -0.06 0.00 0.02 0.00 0.00 35.03 33.23 1cyv n LYS 89 CO 0.00 0.00 0.00 0.27 1.17 0.00 0.00 177.40 178.84 1cyv n ASN 90 N -1.16 -1.62 -0.05 3.14 6.94 -1.10 -4.76 115.26 116.66 1cyv n ASN 90 Ca 0.00 -0.82 -0.06 0.00 -0.02 0.00 0.00 54.58 53.68 1cyv n ASN 90 Cb 0.45 -1.45 -0.02 0.00 -2.36 0.00 0.00 39.78 36.41 1cyv n ASN 90 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 1cyv n LYS 91 N -3.67 0.34 0.00 -3.83 5.02 -1.25 -4.45 118.16 110.32 1cyv n LYS 91 Ca 0.09 0.13 0.04 0.00 -2.02 0.00 0.00 58.31 56.56 1cyv n LYS 91 Cb 0.46 -1.08 0.25 0.00 -0.02 0.00 0.00 35.03 34.64 1cyv n LYS 91 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1cyv n ASP 92 N -3.99 0.00 -4.57 4.39 -0.08 -1.25 -4.86 116.55 106.19 1cyv n ASP 92 Ca -0.09 -1.43 -0.38 0.00 -1.51 0.00 0.00 54.79 51.38 1cyv n ASP 92 Cb 0.33 0.00 0.04 0.00 2.34 0.00 0.00 41.12 43.83 1cyv n ASP 92 CO 0.00 0.00 0.00 -0.67 0.12 0.00 0.00 177.20 176.65 1cyv n ASP 93 N -0.66 0.25 -3.65 1.67 -0.08 -1.26 -4.84 116.55 107.98 1cyv n ASP 93 Ca 0.06 0.81 -0.00 0.00 -1.51 0.00 0.00 54.79 54.15 1cyv n ASP 93 Cb 0.03 -1.32 -0.07 0.00 2.34 0.00 0.00 41.12 42.11 1cyv n ASP 93 CO 0.00 0.00 0.00 -1.61 0.12 0.00 0.00 177.20 175.71 1cyv s GLU 94 N -2.47 0.04 1.01 -0.67 0.41 -1.26 -5.12 118.70 110.64 1cyv s GLU 94 Ca 0.72 0.05 -0.17 0.00 -0.41 0.00 0.00 54.97 55.16 1cyv s GLU 94 Cb -0.44 0.01 -0.01 0.00 -1.78 0.00 0.00 34.13 31.91 1cyv s GLU 94 CO 0.50 -0.01 -0.19 1.28 -0.49 0.00 0.00 175.26 176.35 1cyv n LEU 95 N 2.25 -2.33 -4.29 1.80 4.32 -1.26 -4.96 117.00 112.53 1cyv n LEU 95 Ca -0.13 0.13 -0.16 0.00 -0.02 0.00 0.00 56.01 55.83 1cyv n LEU 95 Cb 0.57 -0.96 -0.10 0.00 -1.62 0.00 0.00 43.42 41.30 1cyv n LEU 95 CO 0.04 -3.84 -0.34 0.42 -1.22 0.00 0.00 177.39 172.44 1cyv s THR 96 N -2.22 0.97 -0.19 -5.08 -4.23 -1.26 -4.43 115.64 99.20 1cyv s THR 96 Ca 0.51 -2.03 0.17 0.00 -1.18 0.00 0.00 61.69 59.16 1cyv s THR 96 Cb -0.14 -2.20 -0.24 0.00 1.34 0.00 0.00 72.50 71.26 1cyv s THR 96 CO 0.70 -0.44 0.09 0.61 -0.54 0.00 0.00 174.62 175.04 1cyv n GLY 97 N -0.33 -0.96 0.00 3.99 0.00 -1.26 -4.87 105.19 101.75 1cyv n GLY 97 Ca -0.06 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 45.64 1cyv n GLY 97 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01