#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pyl s PRO 3 N 0.00 3.34 0.77 0.00 0.02 -1.26 -5.01 135.00 132.86 1pyl s PRO 3 Ca 0.00 1.35 -0.11 0.00 0.02 0.00 0.00 61.00 62.27 1pyl s PRO 3 Cb 0.00 -2.03 0.05 0.00 0.02 0.00 0.00 34.50 32.55 1pyl s PRO 3 CO 0.00 -0.81 1.09 0.00 -0.33 0.00 0.00 177.00 176.94 1pyl s ALA 4 N -2.19 2.27 0.13 -1.55 0.00 -1.26 -5.06 121.76 114.09 1pyl s ALA 4 Ca 0.67 0.18 0.02 0.00 0.00 0.00 0.00 51.96 52.82 1pyl s ALA 4 Cb -0.18 -3.24 -0.04 0.00 0.00 0.00 0.00 23.12 19.66 1pyl s ALA 4 CO 0.32 -1.72 0.27 -0.51 0.00 0.00 0.00 175.76 174.12 1pyl s LEU 5 N -5.87 4.34 0.65 0.00 1.43 -1.26 -5.10 118.68 112.86 1pyl s LEU 5 Ca 0.61 0.21 -0.17 0.00 -1.03 0.00 0.00 54.13 53.75 1pyl s LEU 5 Cb -0.16 -2.94 -0.01 0.00 0.03 0.00 0.00 46.19 43.11 1pyl s LEU 5 CO 0.56 0.08 1.17 0.00 0.23 0.00 0.00 176.35 178.39 1pyl s ALA 6 N -1.69 2.41 0.05 4.21 0.00 -1.26 -4.76 121.76 120.73 1pyl s ALA 6 Ca 0.35 0.81 0.02 0.00 0.00 0.00 0.00 51.96 53.14 1pyl s ALA 6 Cb -0.12 -3.41 -0.04 0.00 0.00 0.00 0.00 23.12 19.56 1pyl s ALA 6 CO 0.28 -1.36 0.08 -0.51 0.00 0.00 0.00 175.76 174.25 1pyl s ASP 7 N -2.03 5.59 -0.05 0.00 -0.00 -1.26 -0.64 116.67 118.27 1pyl s ASP 7 Ca 0.73 0.04 0.01 0.00 -0.00 0.00 0.00 52.55 53.34 1pyl s ASP 7 Cb -0.26 -1.54 0.02 0.00 -0.00 0.00 0.00 42.92 41.14 1pyl s ASP 7 CO 0.38 0.20 -0.07 0.54 -0.00 0.00 0.00 175.17 176.22 1pyl s VAL 8 N -1.33 0.77 0.33 -1.27 0.11 -0.21 -4.88 120.40 113.92 1pyl s VAL 8 Ca 0.28 -0.26 -0.29 0.00 -2.93 0.00 0.00 61.98 58.78 1pyl s VAL 8 Cb -0.12 -0.75 -0.10 0.00 -1.53 0.00 0.00 36.38 33.87 1pyl s VAL 8 CO 0.20 0.28 1.38 0.00 -3.33 0.00 0.00 175.10 173.63 1pyl h ARG 10 N 3.49 0.64 0.00 0.00 1.12 -0.75 -0.76 114.38 118.12 1pyl h ARG 10 Ca -0.49 -0.04 0.00 0.00 -1.11 0.00 0.00 59.98 58.34 1pyl h ARG 10 Cb 1.23 -0.15 0.00 0.00 -0.01 0.00 0.00 29.97 31.04 1pyl h ARG 10 CO 0.67 0.43 0.00 0.25 -3.11 0.00 0.00 179.97 178.20 1pyl n THR 11 N -4.84 0.64 1.17 0.20 -2.24 -0.80 -2.13 114.28 106.29 1pyl n THR 11 Ca 0.18 0.16 0.12 0.00 -2.27 0.00 0.00 64.05 62.24 1pyl n THR 11 Cb 0.44 -0.83 0.24 0.00 -2.10 0.00 0.00 70.33 68.07 1pyl n THR 11 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1pyl n LYS 12 N -1.47 1.70 -1.91 -0.78 4.76 -0.30 -4.93 118.16 115.23 1pyl n LYS 12 Ca 0.05 -1.26 -0.33 0.00 -2.87 0.00 0.00 58.31 53.91 1pyl n LYS 12 Cb 0.22 -1.47 0.03 0.00 -1.84 0.00 0.00 35.03 31.96 1pyl n LYS 12 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1pyl s LEU 13 N -2.17 3.42 0.58 -0.35 1.43 -0.90 -4.97 118.68 115.71 1pyl s LEU 13 Ca 0.28 1.84 -0.20 0.00 -1.03 0.00 0.00 54.13 55.03 1pyl s LEU 13 Cb 0.20 -4.53 -0.05 0.00 0.03 0.00 0.00 46.19 41.83 1pyl s LEU 13 CO 0.40 -1.33 1.07 -2.65 0.23 0.00 0.00 176.35 174.07 1pyl n PRO 14 N -2.27 1.11 -0.23 1.29 -0.02 -1.26 -4.77 135.00 128.85 1pyl n PRO 14 Ca 0.09 0.42 0.07 0.00 -2.02 0.00 0.00 63.50 62.06 1pyl n PRO 14 Cb 0.53 -2.26 0.33 0.00 -0.02 0.00 0.00 33.50 32.07 1pyl n PRO 14 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1pyl h SER 15 N 0.77 0.73 -0.02 2.55 4.64 -1.96 -0.43 113.55 119.83 1pyl h SER 15 Ca -0.49 0.01 -0.04 0.00 -0.47 0.00 0.00 61.79 60.80 1pyl h SER 15 Cb 1.35 -0.15 -0.01 0.00 -0.31 0.00 0.00 62.40 63.28 1pyl h SER 15 CO 0.53 0.46 -0.09 1.56 -0.87 0.00 0.00 176.83 178.42 1pyl h GLN 16 N 0.82 0.25 -0.51 4.77 1.08 -1.89 -1.04 115.11 118.59 1pyl h GLN 16 Ca 0.35 -0.05 -0.13 0.00 -1.45 0.00 0.00 58.65 57.37 1pyl h GLN 16 Cb 0.31 -0.04 -0.01 0.00 -0.05 0.00 0.00 27.48 27.69 1pyl h GLN 16 CO -0.13 0.35 -0.18 0.00 -0.95 0.00 0.00 178.83 177.92 1pyl h ALA 17 N 1.67 0.71 -0.80 3.87 0.00 -1.42 -1.54 119.26 121.76 1pyl h ALA 17 Ca 0.05 -0.38 -0.05 0.00 0.00 0.00 0.00 54.91 54.53 1pyl h ALA 17 Cb 0.32 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.89 1pyl h ALA 17 CO 0.02 0.68 0.31 1.96 0.00 0.00 0.00 179.25 182.22 1pyl h GLN 18 N 0.88 1.20 -0.89 0.00 4.20 -1.00 -1.87 115.11 117.64 1pyl h GLN 18 Ca 0.12 -0.22 0.03 0.00 0.06 0.00 0.00 58.65 58.64 1pyl h GLN 18 Cb 0.76 -0.19 -0.05 0.00 0.30 0.00 0.00 27.48 28.30 1pyl h GLN 18 CO 0.06 0.97 0.57 -0.44 -0.67 0.00 0.00 178.83 179.33 1pyl h ASP 19 N 1.16 0.96 -0.65 1.46 3.32 -0.97 -2.01 116.42 119.70 1pyl h ASP 19 Ca 0.27 -0.01 -0.09 0.00 0.02 0.00 0.00 57.03 57.22 1pyl h ASP 19 Cb 0.22 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 39.53 1pyl h ASP 19 CO -0.02 0.66 0.07 0.74 -1.72 0.00 0.00 179.24 178.97 1pyl h THR 20 N 1.12 1.26 -0.77 0.35 2.02 -0.85 -1.80 112.91 114.25 1pyl h THR 20 Ca 0.35 -1.08 -0.00 0.00 0.77 0.00 0.00 66.41 66.45 1pyl h THR 20 Cb -0.01 0.68 -0.04 0.00 -1.74 0.00 0.00 68.15 67.05 1pyl h THR 20 CO -0.11 0.40 0.48 -0.07 0.37 0.00 0.00 175.52 176.58 1pyl h LEU 21 N 1.02 0.91 -0.64 2.58 3.38 -0.84 -1.03 115.31 120.69 1pyl h LEU 21 Ca 0.19 -0.04 -0.11 0.00 0.09 0.00 0.00 57.88 58.01 1pyl h LEU 21 Cb 0.48 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.99 1pyl h LEU 21 CO 0.02 0.69 -0.10 0.00 0.09 0.00 0.00 178.44 179.13 1pyl h ALA 22 N 1.47 0.84 -0.65 1.53 0.00 -1.00 -1.89 119.26 119.56 1pyl h ALA 22 Ca 0.28 -0.34 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 1pyl h ALA 22 Cb -0.07 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.50 1pyl h ALA 22 CO -0.05 0.65 0.30 -0.07 0.00 0.00 0.00 179.25 180.07 1pyl h LEU 23 N 0.86 0.87 -0.71 0.00 3.38 -0.80 -2.55 115.31 116.36 1pyl h LEU 23 Ca 0.14 -0.15 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 1pyl h LEU 23 Cb 0.64 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 41.14 1pyl h LEU 23 CO 0.04 0.78 0.40 0.40 0.09 0.00 0.00 178.44 180.15 1pyl h ILE 24 N 0.91 1.21 0.00 1.22 2.04 -1.04 -0.54 117.51 121.31 1pyl h ILE 24 Ca 0.22 -0.52 -0.03 0.00 1.00 0.00 0.00 64.86 65.53 1pyl h ILE 24 Cb 0.15 0.26 -0.00 0.00 -0.74 0.00 0.00 36.82 36.49 1pyl h ILE 24 CO -0.02 0.23 -0.16 0.00 0.00 0.00 0.00 178.15 178.20 1pyl h ALA 25 N 1.20 1.50 -0.02 1.87 0.00 -1.10 -2.05 119.26 120.67 1pyl h ALA 25 Ca 0.25 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1pyl h ALA 25 Cb 0.02 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1pyl h ALA 25 CO -0.04 0.20 -0.13 1.63 0.00 0.00 0.00 179.25 180.91 1pyl n LYS 26 N -4.01 1.62 -3.36 0.00 5.02 -0.86 -4.97 118.16 111.59 1pyl n LYS 26 Ca -0.02 -1.15 -0.21 0.00 -2.02 0.00 0.00 58.31 54.90 1pyl n LYS 26 Cb 0.25 -1.48 0.06 0.00 -0.02 0.00 0.00 35.03 33.84 1pyl n LYS 26 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1pyl n ASN 27 N 0.32 -5.91 0.00 4.39 5.15 -0.48 -4.86 115.26 113.87 1pyl n ASN 27 Ca 0.15 -0.43 0.00 0.00 -0.60 0.00 0.00 54.58 53.69 1pyl n ASN 27 Cb 0.44 -4.57 0.00 0.00 -0.53 0.00 0.00 39.78 35.12 1pyl n ASN 27 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1pyl n GLY 28 N -1.77 -1.30 3.85 8.20 0.00 -0.33 -4.90 105.19 108.94 1pyl n GLY 28 Ca -0.02 -2.15 -0.31 0.00 0.00 0.00 0.00 46.02 43.54 1pyl n GLY 28 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1pyl s PRO 29 N -0.16 3.48 -0.04 1.61 0.04 -1.26 -4.93 135.00 133.73 1pyl s PRO 29 Ca 0.00 0.84 0.03 0.00 0.04 0.00 0.00 61.00 61.91 1pyl s PRO 29 Cb 0.00 -2.06 -0.03 0.00 0.04 0.00 0.00 34.50 32.45 1pyl s PRO 29 CO 0.00 -0.67 -0.10 0.71 0.04 0.00 0.00 177.00 176.99 1pyl s TYR 30 N -3.05 2.84 0.31 0.56 1.51 -1.26 -5.01 117.35 113.26 1pyl s TYR 30 Ca 0.57 -0.06 0.23 0.00 -1.01 0.00 0.00 57.07 56.80 1pyl s TYR 30 Cb -0.12 -1.65 1.13 0.00 -0.11 0.00 0.00 41.96 41.21 1pyl s TYR 30 CO 0.51 0.29 1.94 -1.00 -1.11 0.00 0.00 175.55 176.18 1pyl h PRO 31 N 5.07 0.00 -6.63 -1.71 0.13 -1.99 -3.45 132.00 123.42 1pyl h PRO 31 Ca -0.48 0.00 -0.66 0.00 -0.87 0.00 0.00 66.00 63.99 1pyl h PRO 31 Cb 1.16 0.00 -0.25 0.00 0.13 0.00 0.00 31.00 32.05 1pyl h PRO 31 CO 0.52 0.21 -0.87 0.71 -0.23 0.00 0.00 178.00 178.34 1pyl s TYR 32 N -4.00 2.19 0.42 1.56 2.02 -1.26 -5.04 117.35 113.24 1pyl s TYR 32 Ca -0.02 -0.40 0.15 0.00 -0.37 0.00 0.00 57.07 56.44 1pyl s TYR 32 Cb 0.12 -1.27 0.97 0.00 -0.40 0.00 0.00 41.96 41.38 1pyl s TYR 32 CO 0.63 0.18 1.95 -0.91 -1.57 0.00 0.00 175.55 175.84 1pyl h ASN 33 N 4.50 0.00 0.47 2.29 4.21 -2.05 -2.17 115.58 122.84 1pyl h ASN 33 Ca -0.47 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.04 1pyl h ASN 33 Cb 1.16 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.36 1pyl h ASN 33 CO 0.42 0.23 -0.00 0.54 -1.29 0.00 0.00 177.43 177.33 1pyl n ARG 34 N -4.19 0.53 -2.03 0.81 1.74 -1.26 -4.84 116.66 107.43 1pyl n ARG 34 Ca -0.02 -0.01 -0.42 0.00 -0.77 0.00 0.00 57.85 56.63 1pyl n ARG 34 Cb 0.29 -1.50 -0.03 0.00 -1.02 0.00 0.00 32.46 30.20 1pyl n ARG 34 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1pyl s ASP 35 N -2.48 6.68 0.00 0.55 -0.00 -0.82 -2.58 116.67 118.03 1pyl s ASP 35 Ca 0.32 2.50 0.00 0.00 -0.00 0.00 0.00 52.55 55.37 1pyl s ASP 35 Cb 0.21 -2.59 0.00 0.00 -0.00 0.00 0.00 42.92 40.54 1pyl s ASP 35 CO 0.45 -0.76 0.00 0.61 -0.00 0.00 0.00 175.17 175.47 1pyl n GLY 36 N 3.65 0.71 3.81 0.21 0.00 0.73 -5.00 105.19 109.29 1pyl n GLY 36 Ca 0.13 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.84 1pyl n GLY 36 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1pyl s VAL 37 N -2.63 3.86 0.30 1.61 -7.23 -1.06 -4.68 120.40 110.56 1pyl s VAL 37 Ca 0.00 0.66 -0.29 0.00 -1.81 0.00 0.00 61.98 60.54 1pyl s VAL 37 Cb 0.00 -3.32 -0.10 0.00 0.56 0.00 0.00 36.38 33.52 1pyl s VAL 37 CO 0.00 -0.73 1.39 -0.69 -0.31 0.00 0.00 175.10 174.76 1pyl s VAL 38 N -2.88 2.61 -0.31 1.32 1.01 -1.26 -1.37 120.40 119.52 1pyl s VAL 38 Ca 0.60 0.57 -0.09 0.00 0.00 0.00 0.00 61.98 63.05 1pyl s VAL 38 Cb -0.15 -3.36 -0.01 0.00 0.00 0.00 0.00 36.38 32.86 1pyl s VAL 38 CO 0.51 0.12 0.15 0.12 0.00 0.00 0.00 175.10 175.99 1pyl s PHE 39 N -0.63 3.17 -0.33 5.22 2.19 -0.16 -4.76 117.98 122.68 1pyl s PHE 39 Ca 0.54 -0.59 0.21 0.00 0.33 0.00 0.00 56.93 57.42 1pyl s PHE 39 Cb -0.41 -2.35 0.33 0.00 -1.31 0.00 0.00 43.02 39.28 1pyl s PHE 39 CO 0.50 -0.46 1.59 0.93 1.83 0.00 0.00 175.22 179.61 1pyl h GLU 40 N 8.34 0.00 -6.12 10.12 5.08 -1.94 -3.39 114.58 126.66 1pyl h GLU 40 Ca -0.32 0.00 -0.43 0.00 -1.00 0.00 0.00 59.36 57.61 1pyl h GLU 40 Cb 1.14 0.00 0.04 0.00 0.50 0.00 0.00 28.75 30.43 1pyl h GLU 40 CO 0.61 0.13 -0.78 -1.71 -1.00 0.00 0.00 179.01 176.26 1pyl n ASN 41 N -3.14 -3.19 -0.22 1.42 5.15 -1.26 -4.86 115.26 109.16 1pyl n ASN 41 Ca 0.03 -0.76 0.01 0.00 -0.60 0.00 0.00 54.58 53.26 1pyl n ASN 41 Cb 0.57 -4.16 0.25 0.00 -0.53 0.00 0.00 39.78 35.90 1pyl n ASN 41 CO 0.00 0.00 0.00 0.03 1.40 0.00 0.00 177.26 178.69 1pyl h ARG 42 N -2.05 0.99 -0.26 1.20 3.08 -1.99 -1.74 114.38 113.61 1pyl h ARG 42 Ca -0.59 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 59.40 1pyl h ARG 42 Cb 1.37 -0.22 0.00 0.00 0.08 0.00 0.00 29.97 31.19 1pyl h ARG 42 CO 0.60 0.66 0.00 0.39 -1.07 0.00 0.00 179.97 180.55 1pyl n GLU 43 N -4.42 1.75 -3.86 0.04 1.02 -1.26 -4.96 120.64 108.94 1pyl n GLU 43 Ca 0.08 -1.15 -0.29 0.00 -0.02 0.00 0.00 57.16 55.78 1pyl n GLU 43 Cb 0.03 -1.32 0.04 0.00 -0.02 0.00 0.00 31.44 30.17 1pyl n GLU 43 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 1pyl n SER 44 N 0.40 -5.02 0.10 1.62 7.64 -0.66 -4.88 113.62 112.82 1pyl n SER 44 Ca 0.13 -0.74 -0.04 0.00 1.01 0.00 0.00 58.87 59.23 1pyl n SER 44 Cb 0.30 -4.08 0.10 0.00 -1.01 0.00 0.00 64.21 59.53 1pyl n SER 44 CO 0.00 0.00 0.00 0.03 -3.01 0.00 0.00 175.04 172.06 1pyl h ARG 45 N -2.19 0.12 -6.52 1.43 3.08 -1.93 -3.43 114.38 104.93 1pyl h ARG 45 Ca -0.58 -0.09 -0.50 0.00 0.07 0.00 0.00 59.98 58.87 1pyl h ARG 45 Cb 1.38 0.02 -0.00 0.00 0.08 0.00 0.00 29.97 31.44 1pyl h ARG 45 CO 0.65 0.75 -0.14 -0.51 -1.07 0.00 0.00 179.97 179.65 1pyl s LEU 46 N -7.63 4.02 0.20 3.04 1.43 -1.26 -5.03 118.68 113.45 1pyl s LEU 46 Ca -0.02 0.64 -0.32 0.00 -1.03 0.00 0.00 54.13 53.40 1pyl s LEU 46 Cb 0.12 -3.48 -0.15 0.00 0.03 0.00 0.00 46.19 42.70 1pyl s LEU 46 CO 0.79 -0.25 1.13 -2.65 0.23 0.00 0.00 176.35 175.60 1pyl n PRO 47 N -1.27 1.22 -2.29 1.29 -0.02 -1.26 -4.86 135.00 127.81 1pyl n PRO 47 Ca -0.02 0.43 -0.42 0.00 -2.02 0.00 0.00 63.50 61.47 1pyl n PRO 47 Cb 0.55 -1.90 -0.03 0.00 -0.02 0.00 0.00 33.50 32.10 1pyl n PRO 47 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 1pyl s LYS 48 N -0.63 4.36 0.26 -0.52 2.20 -1.26 -4.99 119.74 119.15 1pyl s LYS 48 Ca 0.70 1.93 0.01 0.00 -0.36 0.00 0.00 55.97 58.25 1pyl s LYS 48 Cb -0.81 -3.35 -0.03 0.00 -1.51 0.00 0.00 37.83 32.13 1pyl s LYS 48 CO 0.54 -0.39 0.21 0.15 -0.36 0.00 0.00 175.35 175.50 1pyl s LYS 49 N 1.32 1.45 1.01 4.03 -0.14 -1.26 -5.16 119.74 120.99 1pyl s LYS 49 Ca 0.62 -1.76 -0.12 0.00 -1.36 0.00 0.00 55.97 53.35 1pyl s LYS 49 Cb -0.33 0.31 0.20 0.00 -1.68 0.00 0.00 37.83 36.33 1pyl s LYS 49 CO 0.29 -0.51 1.08 0.20 -0.76 0.00 0.00 175.35 175.65 1pyl s GLY 50 N -3.23 1.61 0.20 -3.33 0.00 -1.26 -4.91 107.32 96.40 1pyl s GLY 50 Ca 0.39 0.11 -0.32 0.00 0.00 0.00 0.00 44.72 44.89 1pyl s GLY 50 CO 0.18 0.67 1.66 -2.01 0.00 0.00 0.00 173.10 173.60 1pyl n ASN 51 N -4.41 3.69 0.00 1.64 5.15 -1.26 -2.31 115.26 117.77 1pyl n ASN 51 Ca 0.07 1.08 0.00 0.00 -0.60 0.00 0.00 54.58 55.12 1pyl n ASN 51 Cb 0.54 -1.53 0.00 0.00 -0.53 0.00 0.00 39.78 38.26 1pyl n ASN 51 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1pyl n GLY 52 N 3.61 0.80 0.31 8.20 0.00 -1.26 -4.93 105.19 111.92 1pyl n GLY 52 Ca 0.16 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.14 1pyl n GLY 52 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1pyl h TYR 53 N 0.00 0.92 -3.47 1.61 3.20 -1.80 -3.44 116.97 113.99 1pyl h TYR 53 Ca 0.00 -0.07 -0.68 0.00 3.14 0.00 0.00 58.73 61.11 1pyl h TYR 53 Cb 0.00 -0.27 -0.17 0.00 1.54 0.00 0.00 36.73 37.83 1pyl h TYR 53 CO 0.00 0.74 -0.65 0.71 -1.64 0.00 0.00 178.16 177.32 1pyl s TYR 54 N -5.31 3.06 0.11 -3.82 1.51 -1.26 -2.14 117.35 109.50 1pyl s TYR 54 Ca -0.10 0.11 0.06 0.00 -1.01 0.00 0.00 57.07 56.14 1pyl s TYR 54 Cb 0.16 -1.75 -0.04 0.00 -0.11 0.00 0.00 41.96 40.23 1pyl s TYR 54 CO 0.81 0.41 -0.16 -1.01 -1.11 0.00 0.00 175.55 174.49 1pyl s HIS 55 N -0.87 1.47 0.08 2.71 3.76 -0.74 -0.99 115.29 120.72 1pyl s HIS 55 Ca 0.13 -0.50 0.07 0.00 -0.15 0.00 0.00 55.06 54.61 1pyl s HIS 55 Cb -0.11 -0.78 -0.04 0.00 1.11 0.00 0.00 32.58 32.76 1pyl s HIS 55 CO 0.03 0.16 -0.13 -1.83 -0.85 0.00 0.00 174.74 172.12 1pyl s GLU 56 N -2.36 2.12 0.00 1.40 -1.05 -0.47 -1.05 118.70 117.28 1pyl s GLU 56 Ca 0.07 -1.00 0.00 0.00 -0.15 0.00 0.00 54.97 53.89 1pyl s GLU 56 Cb -0.07 -2.28 -0.00 0.00 -0.44 0.00 0.00 34.13 31.34 1pyl s GLU 56 CO 0.03 0.52 -0.02 -0.06 0.95 0.00 0.00 175.26 176.69 1pyl s PHE 57 N -1.11 0.15 0.24 4.83 0.08 -0.00 -0.20 117.98 121.97 1pyl s PHE 57 Ca 0.19 -0.07 -0.30 0.00 0.12 0.00 0.00 56.93 56.87 1pyl s PHE 57 Cb -0.11 -0.10 -0.09 0.00 -0.57 0.00 0.00 43.02 42.15 1pyl s PHE 57 CO 0.10 -0.02 1.03 0.99 -0.10 0.00 0.00 175.22 177.22 1pyl s THR 58 N -0.17 3.83 -0.18 0.64 2.01 -1.26 -1.05 115.64 119.46 1pyl s THR 58 Ca -0.01 1.79 -0.06 0.00 0.31 0.00 0.00 61.69 63.72 1pyl s THR 58 Cb -0.01 -4.14 -0.03 0.00 0.01 0.00 0.00 72.50 68.32 1pyl s THR 58 CO -0.00 0.40 0.02 -0.69 -0.69 0.00 0.00 174.62 173.66 1pyl s VAL 59 N -0.98 4.36 0.31 3.82 1.01 -0.72 -4.85 120.40 123.35 1pyl s VAL 59 Ca 0.44 -0.19 -0.29 0.00 0.00 0.00 0.00 61.98 61.94 1pyl s VAL 59 Cb -0.29 -2.95 -0.11 0.00 0.00 0.00 0.00 36.38 33.04 1pyl s VAL 59 CO 0.36 0.47 1.48 -0.69 0.00 0.00 0.00 175.10 176.72 1pyl s VAL 60 N 0.45 2.30 -0.45 2.92 1.01 -1.26 -4.43 120.40 120.95 1pyl s VAL 60 Ca 0.00 0.27 -0.14 0.00 0.00 0.00 0.00 61.98 62.12 1pyl s VAL 60 Cb -0.13 -3.18 0.06 0.00 0.00 0.00 0.00 36.38 33.14 1pyl s VAL 60 CO 0.02 0.05 0.34 -0.89 0.00 0.00 0.00 175.10 174.62 1pyl s THR 61 N -0.50 4.98 0.39 3.92 2.01 -1.26 -4.82 115.64 120.35 1pyl s THR 61 Ca 0.57 -1.07 0.12 0.00 0.31 0.00 0.00 61.69 61.62 1pyl s THR 61 Cb -0.45 -3.95 0.12 0.00 0.01 0.00 0.00 72.50 68.23 1pyl s THR 61 CO 0.52 -0.51 1.87 -0.65 -0.69 0.00 0.00 174.62 175.16 1pyl h PRO 62 N 8.64 0.04 -0.49 4.92 0.11 -1.96 -3.24 132.00 140.02 1pyl h PRO 62 Ca -0.27 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.83 1pyl h PRO 62 Cb 1.11 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.21 1pyl h PRO 62 CO 0.82 0.34 0.00 0.41 -0.21 0.00 0.00 178.00 179.36 1pyl n GLY 63 N -0.61 1.54 3.51 -0.55 0.00 -1.26 -4.89 105.19 102.92 1pyl n GLY 63 Ca -0.02 -0.62 -0.27 0.00 0.00 0.00 0.00 46.02 45.11 1pyl n GLY 63 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1pyl s SER 64 N -1.16 3.89 0.14 1.61 1.04 -1.22 -5.03 113.70 112.97 1pyl s SER 64 Ca 0.38 -0.70 -0.04 0.00 0.48 0.00 0.00 55.95 56.06 1pyl s SER 64 Cb 0.20 -0.52 -0.05 0.00 0.10 0.00 0.00 66.02 65.76 1pyl s SER 64 CO 0.27 0.11 1.35 -1.13 0.98 0.00 0.00 173.24 174.82 1pyl h ASN 65 N 3.04 0.56 -3.38 7.02 -0.00 -1.90 -3.47 115.58 117.46 1pyl h ASN 65 Ca -0.47 -0.41 -0.46 0.00 -0.00 0.00 0.00 56.30 54.97 1pyl h ASN 65 Cb 1.21 -0.17 0.10 0.00 -0.00 0.00 0.00 38.32 39.45 1pyl h ASN 65 CO 0.51 1.19 0.23 1.51 -0.00 0.00 0.00 177.43 180.87 1pyl s ASP 66 N -7.05 4.38 0.26 1.15 3.84 -1.26 -5.00 116.67 112.99 1pyl s ASP 66 Ca -0.06 0.20 -0.05 0.00 -0.00 0.00 0.00 52.55 52.64 1pyl s ASP 66 Cb 0.09 -0.68 0.30 0.00 -1.38 0.00 0.00 42.92 41.26 1pyl s ASP 66 CO 0.86 -1.87 1.90 -0.09 -0.00 0.00 0.00 175.17 175.97 1pyl h ARG 67 N -0.76 1.18 0.00 2.11 2.43 -1.95 -3.45 114.38 113.93 1pyl h ARG 67 Ca -0.42 -0.12 0.00 0.00 -0.81 0.00 0.00 59.98 58.63 1pyl h ARG 67 Cb 1.29 -0.24 0.00 0.00 -0.42 0.00 0.00 29.97 30.60 1pyl h ARG 67 CO 0.51 0.84 0.00 0.41 -1.51 0.00 0.00 179.97 180.22 1pyl n GLY 68 N -1.22 -2.24 0.53 2.80 0.00 -1.26 -4.25 105.19 99.54 1pyl n GLY 68 Ca 0.09 -1.60 0.06 0.00 0.00 0.00 0.00 46.02 44.57 1pyl n GLY 68 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1pyl n THR 69 N -0.24 0.21 -3.02 2.61 -2.24 -1.26 -5.00 114.28 105.34 1pyl n THR 69 Ca 0.00 -0.61 -0.40 0.00 -2.27 0.00 0.00 64.05 60.78 1pyl n THR 69 Cb 0.00 1.09 -0.05 0.00 -2.10 0.00 0.00 70.33 69.27 1pyl n THR 69 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1pyl s ARG 70 N -1.00 4.46 0.01 -0.78 0.52 -1.26 -0.90 118.95 120.00 1pyl s ARG 70 Ca 0.16 0.98 -0.06 0.00 -0.52 0.00 0.00 55.73 56.29 1pyl s ARG 70 Cb 0.11 -3.39 -0.00 0.00 0.52 0.00 0.00 34.95 32.19 1pyl s ARG 70 CO 0.15 0.23 0.11 1.03 0.02 0.00 0.00 175.30 176.84 1pyl s ARG 71 N 0.19 0.47 -0.06 3.54 1.81 -0.29 -1.75 118.95 122.87 1pyl s ARG 71 Ca 0.38 -0.46 0.04 0.00 -1.72 0.00 0.00 55.73 53.98 1pyl s ARG 71 Cb -0.19 0.19 -0.02 0.00 -0.45 0.00 0.00 34.95 34.48 1pyl s ARG 71 CO 0.21 -0.11 -0.19 0.08 -0.68 0.00 0.00 175.30 174.61 1pyl s VAL 72 N -1.49 2.63 -0.10 3.52 1.01 -0.22 -1.16 120.40 124.59 1pyl s VAL 72 Ca -0.14 -0.87 0.03 0.00 0.00 0.00 0.00 61.98 60.99 1pyl s VAL 72 Cb -0.07 -2.01 -0.01 0.00 0.00 0.00 0.00 36.38 34.29 1pyl s VAL 72 CO 0.01 0.57 -0.18 -0.69 0.00 0.00 0.00 175.10 174.81 1pyl s VAL 73 N -0.42 2.59 0.08 2.92 1.01 -0.17 -0.82 120.40 125.59 1pyl s VAL 73 Ca 0.04 -0.84 0.03 0.00 0.00 0.00 0.00 61.98 61.21 1pyl s VAL 73 Cb -0.12 -2.03 -0.04 0.00 0.00 0.00 0.00 36.38 34.19 1pyl s VAL 73 CO 0.02 0.55 0.07 0.42 0.00 0.00 0.00 175.10 176.16 1pyl s THR 74 N 0.12 4.48 0.41 3.92 -4.23 -0.22 -0.42 115.64 119.70 1pyl s THR 74 Ca -0.09 -0.79 0.08 0.00 -1.18 0.00 0.00 61.69 59.70 1pyl s THR 74 Cb -0.15 -3.16 -0.02 0.00 1.34 0.00 0.00 72.50 70.50 1pyl s THR 74 CO 0.06 0.12 0.35 -0.83 -0.54 0.00 0.00 174.62 173.78 1pyl s GLY 75 N -2.39 2.12 0.20 3.99 0.00 -0.01 -1.78 107.32 109.45 1pyl s GLY 75 Ca 0.29 -1.89 0.21 0.00 0.00 0.00 0.00 44.72 43.33 1pyl s GLY 75 CO 0.22 -1.71 1.65 0.61 0.00 0.00 0.00 173.10 173.86 1pyl n GLY 76 N -1.49 -1.20 1.06 0.20 0.00 -0.91 -1.68 105.19 101.17 1pyl n GLY 76 Ca 0.02 0.05 0.08 0.00 0.00 0.00 0.00 46.02 46.18 1pyl n GLY 76 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1pyl n TYR 77 N -2.06 1.01 -0.50 1.61 4.01 -1.26 -4.95 117.16 115.01 1pyl n TYR 77 Ca 0.02 -0.68 0.00 0.00 -0.16 0.00 0.00 57.90 57.09 1pyl n TYR 77 Cb 0.21 -0.21 0.00 0.00 -0.31 0.00 0.00 39.34 39.03 1pyl n TYR 77 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1pyl n GLY 78 N 0.33 0.75 3.75 2.72 0.00 -0.67 -5.06 105.19 107.01 1pyl n GLY 78 Ca 0.20 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.83 1pyl n GLY 78 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1pyl s GLU 79 N -0.50 3.30 -0.03 1.61 8.01 -1.25 -4.83 118.70 125.01 1pyl s GLU 79 Ca 0.00 2.27 0.02 0.00 0.01 0.00 0.00 54.97 57.27 1pyl s GLU 79 Cb 0.00 -2.37 0.00 0.00 -4.31 0.00 0.00 34.13 27.46 1pyl s GLU 79 CO 0.00 -1.07 -0.09 -0.65 0.01 0.00 0.00 175.26 173.46 1pyl s GLN 80 N -2.78 0.97 -0.02 1.61 -0.21 -1.26 -0.83 119.66 117.14 1pyl s GLN 80 Ca 0.69 -0.30 0.05 0.00 0.02 0.00 0.00 55.36 55.82 1pyl s GLN 80 Cb -0.41 -0.90 -0.01 0.00 1.00 0.00 0.00 33.01 32.69 1pyl s GLN 80 CO 0.50 0.10 -0.18 0.71 -2.12 0.00 0.00 175.29 174.30 1pyl s TYR 81 N 0.23 1.60 -0.13 0.91 1.51 0.44 -0.86 117.35 121.05 1pyl s TYR 81 Ca -0.04 -0.33 -0.05 0.00 -1.01 0.00 0.00 57.07 55.65 1pyl s TYR 81 Cb -0.09 -1.04 -0.04 0.00 -0.11 0.00 0.00 41.96 40.69 1pyl s TYR 81 CO 0.01 -0.05 0.04 -0.46 -1.11 0.00 0.00 175.55 173.98 1pyl s TRP 82 N -0.34 3.26 -0.11 2.71 -0.00 0.23 -1.00 118.94 123.70 1pyl s TRP 82 Ca 0.05 0.18 -0.02 0.00 -0.00 0.00 0.00 56.10 56.32 1pyl s TRP 82 Cb -0.08 -1.92 0.04 0.00 -0.00 0.00 0.00 33.47 31.52 1pyl s TRP 82 CO -0.00 0.39 0.01 0.45 -0.00 0.00 0.00 176.95 177.80 1pyl s SER 83 N -0.45 1.99 0.01 5.86 0.15 -0.31 -1.20 113.70 119.76 1pyl s SER 83 Ca 0.09 -0.31 0.28 0.00 0.70 0.00 0.00 55.95 56.71 1pyl s SER 83 Cb -0.12 -0.49 1.13 0.00 -1.71 0.00 0.00 66.02 64.83 1pyl s SER 83 CO 0.02 -0.23 1.86 -0.81 1.20 0.00 0.00 173.24 175.28 1pyl n PRO 84 N 5.12 0.02 -2.50 5.44 -0.04 -1.26 -1.13 135.00 140.64 1pyl n PRO 84 Ca -0.08 0.01 -0.07 0.00 -0.04 0.00 0.00 63.50 63.33 1pyl n PRO 84 Cb 0.49 -1.52 0.04 0.00 -0.04 0.00 0.00 33.50 32.48 1pyl n PRO 84 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1pyl n ASP 85 N -1.54 2.51 -3.58 3.54 5.68 -1.23 -4.10 116.55 117.83 1pyl n ASP 85 Ca 0.07 -2.55 -0.20 0.00 -0.50 0.00 0.00 54.79 51.61 1pyl n ASP 85 Cb 0.34 -0.43 0.06 0.00 -1.14 0.00 0.00 41.12 39.95 1pyl n ASP 85 CO 0.00 0.00 0.00 1.57 -1.33 0.00 0.00 177.20 177.44 1pyl n HIS 86 N -0.59 -2.13 -0.91 2.11 -0.00 -0.07 -2.81 115.22 110.81 1pyl n HIS 86 Ca 0.18 0.90 0.00 0.00 -0.00 0.00 0.00 57.72 58.80 1pyl n HIS 86 Cb 0.86 -4.74 0.00 0.00 -0.00 0.00 0.00 29.99 26.11 1pyl n HIS 86 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.34 177.00 1pyl n TYR 87 N -4.27 0.00 0.07 1.57 4.01 -1.26 -4.91 117.16 112.37 1pyl n TYR 87 Ca -0.26 0.00 -0.09 0.00 -0.16 0.00 0.00 57.90 57.39 1pyl n TYR 87 Cb 0.66 0.00 0.02 0.00 -0.31 0.00 0.00 39.34 39.71 1pyl n TYR 87 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1pyl h ALA 88 N 0.00 0.58 -3.16 -0.72 0.00 -1.93 -3.45 119.26 110.58 1pyl h ALA 88 Ca 0.00 -0.66 -0.35 0.00 0.00 0.00 0.00 54.91 53.90 1pyl h ALA 88 Cb 0.00 -0.07 -0.20 0.00 0.00 0.00 0.00 17.79 17.52 1pyl h ALA 88 CO 0.00 0.83 -0.75 0.95 0.00 0.00 0.00 179.25 180.27 1pyl s THR 89 N -3.42 0.93 0.02 0.00 -4.23 -1.26 -5.12 115.64 102.57 1pyl s THR 89 Ca -0.04 -1.35 0.04 0.00 -1.18 0.00 0.00 61.69 59.15 1pyl s THR 89 Cb 0.10 -1.05 -0.02 0.00 1.34 0.00 0.00 72.50 72.88 1pyl s THR 89 CO 0.83 -0.36 -0.11 -0.36 -0.54 0.00 0.00 174.62 174.08 1pyl s PHE 90 N -1.63 0.97 -0.03 3.99 0.40 -1.26 -4.40 117.98 116.02 1pyl s PHE 90 Ca -0.02 -0.28 0.07 0.00 -0.60 0.00 0.00 56.93 56.10 1pyl s PHE 90 Cb -0.08 -0.60 -0.02 0.00 0.51 0.00 0.00 43.02 42.84 1pyl s PHE 90 CO 0.01 -0.00 -0.24 -0.65 0.70 0.00 0.00 175.22 175.04 1pyl s GLN 91 N -0.78 2.07 0.06 0.44 -0.21 -0.34 -4.41 119.66 116.48 1pyl s GLN 91 Ca 0.01 -0.87 -0.29 0.00 0.02 0.00 0.00 55.36 54.23 1pyl s GLN 91 Cb -0.06 -1.95 -0.05 0.00 1.00 0.00 0.00 33.01 31.95 1pyl s GLN 91 CO 0.00 0.50 0.91 -2.00 -2.12 0.00 0.00 175.29 172.58 1pyl s GLU 92 N -0.49 4.61 -0.04 2.91 2.12 0.19 -0.60 118.70 127.40 1pyl s GLU 92 Ca 0.07 1.34 -0.28 0.00 0.36 0.00 0.00 54.97 56.46 1pyl s GLU 92 Cb -0.10 -3.40 -0.03 0.00 0.26 0.00 0.00 34.13 30.86 1pyl s GLU 92 CO -0.00 0.16 0.89 0.42 -0.54 0.00 0.00 175.26 176.19 1pyl s ILE 93 N 0.25 4.91 -0.44 -3.70 1.01 -0.04 -1.04 121.20 122.15 1pyl s ILE 93 Ca 0.46 1.85 -0.16 0.00 0.00 0.00 0.00 60.65 62.81 1pyl s ILE 93 Cb -0.22 -4.23 0.04 0.00 0.01 0.00 0.00 42.46 38.06 1pyl s ILE 93 CO 0.27 0.16 0.37 -0.62 0.00 0.00 0.00 174.94 175.12 1pyl s ASP 94 N 0.97 6.14 0.17 3.58 -1.08 0.37 -4.67 116.67 122.15 1pyl s ASP 94 Ca 0.47 -1.01 0.20 0.00 -0.52 0.00 0.00 52.55 51.69 1pyl s ASP 94 Cb -0.19 -2.18 0.85 0.00 -1.46 0.00 0.00 42.92 39.94 1pyl s ASP 94 CO 0.23 -0.56 1.62 -0.81 0.52 0.00 0.00 175.17 176.18 1pyl n PRO 95 N 5.29 0.13 0.01 4.34 -0.04 -1.26 -1.82 135.00 141.65 1pyl n PRO 95 Ca -0.11 0.37 0.13 0.00 -0.04 0.00 0.00 63.50 63.85 1pyl n PRO 95 Cb 0.46 -1.75 0.44 0.00 -0.04 0.00 0.00 33.50 32.61 1pyl n PRO 95 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1pyl n ARG 96 N -1.98 0.05 0.00 0.54 1.74 -1.26 -4.83 116.66 110.91 1pyl n ARG 96 Ca 0.03 0.03 0.00 0.00 -0.77 0.00 0.00 57.85 57.13 1pyl n ARG 96 Cb 0.21 -1.54 0.00 0.00 -1.02 0.00 0.00 32.46 30.10 1pyl n ARG 96 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11