#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pyl s LEU 5 N 0.00 3.34 0.82 0.00 1.43 -1.26 -5.12 118.68 117.90 1pyl s LEU 5 Ca 0.00 -0.03 -0.11 0.00 -1.03 0.00 0.00 54.13 52.96 1pyl s LEU 5 Cb 0.00 -1.86 0.09 0.00 0.03 0.00 0.00 46.19 44.45 1pyl s LEU 5 CO 0.00 0.31 1.09 0.00 0.23 0.00 0.00 176.35 177.98 1pyl s ALA 6 N -0.97 1.97 0.05 4.21 0.00 -1.26 -4.75 121.76 121.01 1pyl s ALA 6 Ca 0.16 0.06 0.03 0.00 0.00 0.00 0.00 51.96 52.22 1pyl s ALA 6 Cb -0.11 -3.22 -0.04 0.00 0.00 0.00 0.00 23.12 19.75 1pyl s ALA 6 CO 0.06 -1.98 -0.01 -0.51 0.00 0.00 0.00 175.76 173.33 1pyl s ASP 7 N -3.48 5.03 -0.02 0.00 1.11 -1.26 -1.07 116.67 116.97 1pyl s ASP 7 Ca 0.62 -0.11 -0.01 0.00 0.18 0.00 0.00 52.55 53.23 1pyl s ASP 7 Cb -0.17 -1.24 0.02 0.00 1.07 0.00 0.00 42.92 42.60 1pyl s ASP 7 CO 0.56 0.22 0.04 0.54 1.18 0.00 0.00 175.17 177.71 1pyl s VAL 8 N -1.20 -0.03 0.27 -1.27 0.11 -0.33 -4.89 120.40 113.05 1pyl s VAL 8 Ca 0.23 0.12 -0.29 0.00 -2.93 0.00 0.00 61.98 59.10 1pyl s VAL 8 Cb -0.12 -0.08 -0.10 0.00 -1.53 0.00 0.00 36.38 34.56 1pyl s VAL 8 CO 0.15 0.05 1.36 0.00 -3.33 0.00 0.00 175.10 173.32 1pyl h ARG 10 N 4.43 0.31 0.00 0.00 1.12 -0.83 -1.00 114.38 118.40 1pyl h ARG 10 Ca -0.47 -0.02 0.00 0.00 -1.11 0.00 0.00 59.98 58.38 1pyl h ARG 10 Cb 1.22 -0.07 0.00 0.00 -0.01 0.00 0.00 29.97 31.11 1pyl h ARG 10 CO 0.73 0.20 0.00 0.25 -3.11 0.00 0.00 179.97 178.04 1pyl n THR 11 N -5.09 1.01 0.98 0.20 -2.24 -0.78 -2.37 114.28 105.98 1pyl n THR 11 Ca 0.10 0.25 0.12 0.00 -2.27 0.00 0.00 64.05 62.25 1pyl n THR 11 Cb 0.34 -1.04 0.12 0.00 -2.10 0.00 0.00 70.33 67.65 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 -1.44 2.32 -1.43 -0.78 4.76 -0.38 -4.96 118.16 116.24 1pyl n LYS 12 Ca 0.04 -1.91 -0.31 0.00 -2.87 0.00 0.00 58.31 53.26 1pyl n LYS 12 Cb 0.13 -1.46 0.08 0.00 -1.84 0.00 0.00 35.03 31.95 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 -1.97 2.84 0.59 -0.35 1.43 -1.00 -4.99 118.68 115.22 1pyl s LEU 13 Ca 0.29 1.57 -0.19 0.00 -1.03 0.00 0.00 54.13 54.78 1pyl s LEU 13 Cb 0.20 -4.27 -0.06 0.00 0.03 0.00 0.00 46.19 42.10 1pyl s LEU 13 CO 0.30 -1.91 0.90 -2.65 0.23 0.00 0.00 176.35 173.22 1pyl n PRO 14 N -3.42 0.86 0.11 1.29 -0.02 -1.26 -4.86 135.00 127.69 1pyl n PRO 14 Ca 0.08 0.33 0.04 0.00 -2.02 0.00 0.00 63.50 61.93 1pyl n PRO 14 Cb 0.54 -2.09 0.44 0.00 -0.02 0.00 0.00 33.50 32.38 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 0.51 0.27 0.14 2.55 4.64 -1.96 -1.46 113.55 118.25 1pyl h SER 15 Ca -0.48 -0.03 -0.02 0.00 -0.47 0.00 0.00 61.79 60.79 1pyl h SER 15 Cb 1.37 -0.07 -0.00 0.00 -0.31 0.00 0.00 62.40 63.39 1pyl h SER 15 CO 0.51 0.31 -0.10 1.56 -0.87 0.00 0.00 176.83 178.24 1pyl h GLN 16 N 0.29 0.00 0.00 4.77 1.08 -1.89 0.52 115.11 119.89 1pyl h GLN 16 Ca 0.07 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.26 1pyl h GLN 16 Cb 0.17 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.60 1pyl h GLN 16 CO 0.00 0.10 -0.04 0.00 -0.95 0.00 0.00 178.83 177.94 1pyl h ALA 17 N 1.90 1.23 -0.71 3.87 0.00 -1.58 -2.45 119.26 121.53 1pyl h ALA 17 Ca -0.00 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.81 1pyl h ALA 17 Cb 0.19 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 1pyl h ALA 17 CO 0.01 0.05 0.18 1.96 0.00 0.00 0.00 179.25 181.45 1pyl h GLN 18 N 0.00 1.13 0.07 0.00 1.08 -0.06 0.14 115.11 117.47 1pyl h GLN 18 Ca -0.00 -0.27 -0.00 0.00 -1.45 0.00 0.00 58.65 56.93 1pyl h GLN 18 Cb 0.15 -0.15 0.00 0.00 -0.05 0.00 0.00 27.48 27.43 1pyl h GLN 18 CO 0.00 0.99 -0.03 0.22 -0.95 0.00 0.00 178.83 179.06 1pyl h ASP 19 N 1.07 -0.08 0.27 1.46 3.58 -1.51 -2.55 116.42 118.66 1pyl h ASP 19 Ca 0.22 -0.01 -0.01 0.00 0.42 0.00 0.00 57.03 57.65 1pyl h ASP 19 Cb 0.36 0.02 0.00 0.00 1.72 0.00 0.00 39.33 41.44 1pyl h ASP 19 CO 0.00 -0.04 -0.13 0.74 -2.88 0.00 0.00 179.24 176.93 1pyl h THR 20 N -0.11 0.76 -0.63 2.25 2.02 -1.38 -1.46 112.91 114.36 1pyl h THR 20 Ca -0.01 -0.58 0.04 0.00 0.77 0.00 0.00 66.41 66.63 1pyl h THR 20 Cb 0.09 1.08 -0.04 0.00 -1.74 0.00 0.00 68.15 67.54 1pyl h THR 20 CO 0.02 0.12 0.41 -0.07 0.37 0.00 0.00 175.52 176.37 1pyl h LEU 21 N -0.69 0.60 -0.68 2.58 3.38 -0.75 -1.91 115.31 117.85 1pyl h LEU 21 Ca -0.04 -0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.83 1pyl h LEU 21 Cb 0.47 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.07 1pyl h LEU 21 CO 0.06 0.41 -0.05 0.00 0.09 0.00 0.00 178.44 178.95 1pyl h ALA 22 N 1.64 0.88 -0.46 1.53 0.00 -1.51 -1.91 119.26 119.44 1pyl h ALA 22 Ca 0.26 -0.32 -0.12 0.00 0.00 0.00 0.00 54.91 54.73 1pyl h ALA 22 Cb 0.15 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1pyl h ALA 22 CO -0.07 0.65 -0.19 -0.07 0.00 0.00 0.00 179.25 179.57 1pyl h LEU 23 N 0.88 0.92 -0.64 0.00 3.38 -0.99 -2.61 115.31 116.26 1pyl h LEU 23 Ca 0.15 -0.33 -0.01 0.00 0.09 0.00 0.00 57.88 57.79 1pyl h LEU 23 Cb 0.59 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 41.06 1pyl h LEU 23 CO 0.04 1.08 0.37 0.40 0.09 0.00 0.00 178.44 180.42 1pyl h ILE 24 N 0.79 1.19 0.00 1.22 2.04 -1.21 -0.14 117.51 121.41 1pyl h ILE 24 Ca 0.11 -0.45 -0.05 0.00 1.00 0.00 0.00 64.86 65.48 1pyl h ILE 24 Cb 0.73 0.33 -0.01 0.00 -0.74 0.00 0.00 36.82 37.14 1pyl h ILE 24 CO 0.06 0.20 -0.21 0.00 0.00 0.00 0.00 178.15 178.20 1pyl h ALA 25 N 1.19 1.13 -0.62 1.87 0.00 -1.13 -1.57 119.26 120.12 1pyl h ALA 25 Ca 0.23 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1pyl h ALA 25 Cb -0.00 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1pyl h ALA 25 CO -0.04 0.27 0.00 0.36 0.00 0.00 0.00 179.25 179.84 1pyl n LYS 26 N -3.53 2.82 -3.48 0.00 2.85 -1.00 -4.96 118.16 110.86 1pyl n LYS 26 Ca -0.01 -2.51 -0.23 0.00 -1.05 0.00 0.00 58.31 54.51 1pyl n LYS 26 Cb 0.37 -1.51 0.07 0.00 -0.65 0.00 0.00 35.03 33.31 1pyl n LYS 26 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 1pyl n ASN 27 N 1.30 -6.28 0.00 -5.58 3.02 -0.59 -4.82 115.26 102.31 1pyl n ASN 27 Ca 0.21 -0.49 0.00 0.00 -0.03 0.00 0.00 54.58 54.27 1pyl n ASN 27 Cb 0.59 -4.94 0.00 0.00 -0.61 0.00 0.00 39.78 34.81 1pyl n ASN 27 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1pyl n GLY 28 N -1.91 -1.74 3.77 7.41 0.00 -0.13 -4.92 105.19 107.67 1pyl n GLY 28 Ca -0.01 -1.58 -0.29 0.00 0.00 0.00 0.00 46.02 44.14 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 0.00 1.39 0.11 1.61 0.04 -1.26 -4.98 135.00 131.90 1pyl s PRO 29 Ca 0.00 0.52 0.09 0.00 0.04 0.00 0.00 61.00 61.64 1pyl s PRO 29 Cb 0.00 -1.85 -0.04 0.00 0.04 0.00 0.00 34.50 32.65 1pyl s PRO 29 CO 0.00 -2.07 -0.19 0.71 0.04 0.00 0.00 177.00 175.49 1pyl s TYR 30 N -3.15 2.52 0.26 0.56 1.51 -1.26 -5.00 117.35 112.79 1pyl s TYR 30 Ca 0.63 -0.27 0.08 0.00 -1.01 0.00 0.00 57.07 56.50 1pyl s TYR 30 Cb -0.16 -1.35 0.33 0.00 -0.11 0.00 0.00 41.96 40.67 1pyl s TYR 30 CO 0.55 0.36 1.60 -1.00 -1.11 0.00 0.00 175.55 175.95 1pyl h PRO 31 N 3.86 0.09 -6.22 -1.71 0.13 -1.98 -3.45 132.00 122.72 1pyl h PRO 31 Ca -0.50 -0.06 -0.66 0.00 -0.87 0.00 0.00 66.00 63.91 1pyl h PRO 31 Cb 1.17 0.01 -0.13 0.00 0.13 0.00 0.00 31.00 32.17 1pyl h PRO 31 CO 0.46 0.66 -0.65 0.71 -0.23 0.00 0.00 178.00 178.95 1pyl s TYR 32 N -3.69 3.04 0.29 1.56 2.02 -1.26 -5.01 117.35 114.30 1pyl s TYR 32 Ca -0.02 0.04 0.25 0.00 -0.37 0.00 0.00 57.07 56.97 1pyl s TYR 32 Cb 0.12 -1.63 1.19 0.00 -0.40 0.00 0.00 41.96 41.25 1pyl s TYR 32 CO 0.77 0.46 1.95 -0.91 -1.57 0.00 0.00 175.55 176.26 1pyl h ASN 33 N 4.05 0.00 0.14 2.29 4.21 -2.05 -2.14 115.58 122.08 1pyl h ASN 33 Ca -0.48 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.03 1pyl h ASN 33 Cb 1.17 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.37 1pyl h ASN 33 CO 0.58 0.18 -0.04 0.54 -1.29 0.00 0.00 177.43 177.40 1pyl n ARG 34 N -3.55 1.06 -2.17 0.81 1.74 -1.26 -4.87 116.66 108.43 1pyl n ARG 34 Ca -0.01 -0.36 -0.42 0.00 -0.77 0.00 0.00 57.85 56.29 1pyl n ARG 34 Cb 0.33 -1.49 -0.03 0.00 -1.02 0.00 0.00 32.46 30.25 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 -2.19 6.82 0.00 0.55 -0.00 -0.81 -2.73 116.67 118.32 1pyl s ASP 35 Ca 0.38 2.30 0.00 0.00 -0.00 0.00 0.00 52.55 55.23 1pyl s ASP 35 Cb 0.21 -2.58 0.00 0.00 -0.00 0.00 0.00 42.92 40.55 1pyl s ASP 35 CO 0.40 -0.66 0.00 0.61 -0.00 0.00 0.00 175.17 175.52 1pyl n GLY 36 N 3.52 0.75 3.82 0.21 0.00 0.38 -4.99 105.19 108.87 1pyl n GLY 36 Ca 0.12 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.58 4.10 0.36 1.61 -7.23 -1.11 -4.71 120.40 110.84 1pyl s VAL 37 Ca 0.00 0.89 -0.28 0.00 -1.81 0.00 0.00 61.98 60.78 1pyl s VAL 37 Cb 0.00 -3.50 -0.11 0.00 0.56 0.00 0.00 36.38 33.33 1pyl s VAL 37 CO 0.00 -0.69 1.41 -0.69 -0.31 0.00 0.00 175.10 174.82 1pyl s VAL 38 N -2.70 2.34 -0.34 1.32 1.01 -1.26 -1.62 120.40 119.14 1pyl s VAL 38 Ca 0.60 0.34 -0.08 0.00 0.00 0.00 0.00 61.98 62.85 1pyl s VAL 38 Cb -0.14 -3.21 0.03 0.00 0.00 0.00 0.00 36.38 33.06 1pyl s VAL 38 CO 0.42 0.08 0.13 0.12 0.00 0.00 0.00 175.10 175.84 1pyl s PHE 39 N -1.14 3.24 -0.05 5.22 2.19 -0.33 -4.77 117.98 122.34 1pyl s PHE 39 Ca 0.51 -1.26 0.20 0.00 0.33 0.00 0.00 56.93 56.71 1pyl s PHE 39 Cb -0.43 -2.31 0.49 0.00 -1.31 0.00 0.00 43.02 39.45 1pyl s PHE 39 CO 0.58 -0.69 1.64 0.93 1.83 0.00 0.00 175.22 179.51 1pyl h GLU 40 N 8.27 0.00 -6.05 10.12 5.08 -1.94 -3.39 114.58 126.67 1pyl h GLU 40 Ca -0.25 0.00 -0.43 0.00 -1.00 0.00 0.00 59.36 57.69 1pyl h GLU 40 Cb 1.09 0.00 0.06 0.00 0.50 0.00 0.00 28.75 30.40 1pyl h GLU 40 CO 0.62 0.32 -0.74 -1.71 -1.00 0.00 0.00 179.01 176.49 1pyl n ASN 41 N -3.29 -4.59 -0.35 1.42 5.15 -1.26 -4.87 115.26 107.48 1pyl n ASN 41 Ca 0.01 -0.69 0.04 0.00 -0.60 0.00 0.00 54.58 53.34 1pyl n ASN 41 Cb 0.57 -4.43 0.19 0.00 -0.53 0.00 0.00 39.78 35.58 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 -2.26 1.01 -0.03 1.20 3.08 -1.99 -1.65 114.38 113.73 1pyl h ARG 42 Ca -0.58 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 59.41 1pyl h ARG 42 Cb 1.37 -0.23 0.00 0.00 0.08 0.00 0.00 29.97 31.19 1pyl h ARG 42 CO 0.60 0.67 0.00 0.39 -1.07 0.00 0.00 179.97 180.56 1pyl n GLU 43 N -4.59 1.34 -3.20 0.04 1.02 -1.26 -4.95 120.64 109.03 1pyl n GLU 43 Ca 0.16 -0.49 -0.22 0.00 -0.02 0.00 0.00 57.16 56.58 1pyl n GLU 43 Cb 0.24 -1.44 0.05 0.00 -0.02 0.00 0.00 31.44 30.28 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 -0.36 -6.12 0.10 1.62 7.64 -0.62 -4.88 113.62 111.00 1pyl n SER 44 Ca 0.19 -0.37 -0.03 0.00 1.01 0.00 0.00 58.87 59.67 1pyl n SER 44 Cb 0.22 -4.86 0.16 0.00 -1.01 0.00 0.00 64.21 58.71 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 -1.83 0.18 -6.49 1.43 3.08 -1.93 -3.43 114.38 105.38 1pyl h ARG 45 Ca -0.53 -0.11 -0.50 0.00 0.07 0.00 0.00 59.98 58.90 1pyl h ARG 45 Cb 1.36 0.01 -0.00 0.00 0.08 0.00 0.00 29.97 31.42 1pyl h ARG 45 CO 0.55 0.69 -0.16 -0.51 -1.07 0.00 0.00 179.97 179.46 1pyl s LEU 46 N -7.93 4.04 0.16 3.04 1.43 -1.26 -4.99 118.68 113.17 1pyl s LEU 46 Ca -0.03 0.61 -0.33 0.00 -1.03 0.00 0.00 54.13 53.34 1pyl s LEU 46 Cb 0.12 -3.44 -0.16 0.00 0.03 0.00 0.00 46.19 42.75 1pyl s LEU 46 CO 0.78 -0.23 1.16 -2.65 0.23 0.00 0.00 176.35 175.64 1pyl n PRO 47 N -1.25 1.11 -2.21 1.29 -0.02 -1.26 -4.86 135.00 127.81 1pyl n PRO 47 Ca -0.03 0.40 -0.42 0.00 -2.02 0.00 0.00 63.50 61.43 1pyl n PRO 47 Cb 0.55 -1.89 -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 -0.33 4.32 0.28 -0.52 2.47 -1.26 -4.99 119.74 119.70 1pyl s LYS 48 Ca 0.74 2.02 0.04 0.00 -1.56 0.00 0.00 55.97 57.21 1pyl s LYS 48 Cb -0.87 -3.35 -0.04 0.00 -1.46 0.00 0.00 37.83 32.12 1pyl s LYS 48 CO 0.52 -0.46 0.20 0.15 0.16 0.00 0.00 175.35 175.92 1pyl s LYS 49 N 1.46 1.52 1.04 4.03 -0.14 -1.26 -5.18 119.74 121.21 1pyl s LYS 49 Ca 0.64 -1.86 -0.15 0.00 -1.36 0.00 0.00 55.97 53.25 1pyl s LYS 49 Cb -0.35 0.23 0.21 0.00 -1.68 0.00 0.00 37.83 36.24 1pyl s LYS 49 CO 0.29 -0.52 1.13 0.20 -0.76 0.00 0.00 175.35 175.69 1pyl s GLY 50 N -3.30 1.59 0.35 -3.33 0.00 -1.26 -4.94 107.32 96.43 1pyl s GLY 50 Ca 0.39 -0.64 -0.28 0.00 0.00 0.00 0.00 44.72 44.19 1pyl s GLY 50 CO 0.20 0.05 1.26 -1.31 0.00 0.00 0.00 173.10 173.30 1pyl s ASN 51 N -3.83 6.72 0.00 1.64 -0.87 -1.26 -2.57 114.94 114.77 1pyl s ASN 51 Ca 0.67 2.58 0.00 0.00 -1.57 0.00 0.00 52.86 54.55 1pyl s ASN 51 Cb -0.14 -2.64 0.00 0.00 -0.02 0.00 0.00 41.25 38.45 1pyl s ASN 51 CO 0.56 -0.56 0.00 0.61 -2.57 0.00 0.00 177.10 175.14 1pyl n GLY 52 N 0.80 0.78 0.25 0.66 0.00 -1.26 -4.92 105.19 101.50 1pyl n GLY 52 Ca 0.01 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.90 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 1.08 -3.23 1.61 3.20 -1.83 -3.45 116.97 114.35 1pyl h TYR 53 Ca 0.00 -0.34 -0.66 0.00 3.14 0.00 0.00 58.73 60.88 1pyl h TYR 53 Cb 0.00 -0.22 -0.12 0.00 1.54 0.00 0.00 36.73 37.93 1pyl h TYR 53 CO 0.00 1.15 -0.61 0.71 -1.64 0.00 0.00 178.16 177.77 1pyl s TYR 54 N -4.34 3.18 0.08 -3.82 1.51 -1.26 -2.33 117.35 110.37 1pyl s TYR 54 Ca -0.11 0.14 0.03 0.00 -1.01 0.00 0.00 57.07 56.12 1pyl s TYR 54 Cb 0.10 -1.69 -0.03 0.00 -0.11 0.00 0.00 41.96 40.23 1pyl s TYR 54 CO 0.88 0.51 -0.10 -1.01 -1.11 0.00 0.00 175.55 174.71 1pyl s HIS 55 N -1.16 0.98 0.08 2.71 3.76 -0.84 -1.19 115.29 119.63 1pyl s HIS 55 Ca 0.22 -0.59 0.08 0.00 -0.15 0.00 0.00 55.06 54.61 1pyl s HIS 55 Cb -0.12 -0.55 -0.04 0.00 1.11 0.00 0.00 32.58 32.99 1pyl s HIS 55 CO 0.13 -0.02 -0.17 -1.83 -0.85 0.00 0.00 174.74 172.00 1pyl s GLU 56 N -2.34 1.97 0.01 1.40 4.04 -0.64 -0.96 118.70 122.18 1pyl s GLU 56 Ca 0.00 -1.06 0.00 0.00 0.04 0.00 0.00 54.97 53.95 1pyl s GLU 56 Cb -0.06 -2.17 -0.01 0.00 0.02 0.00 0.00 34.13 31.91 1pyl s GLU 56 CO 0.00 0.51 -0.01 -0.06 -1.84 0.00 0.00 175.26 173.87 1pyl s PHE 57 N -1.04 0.09 0.18 4.83 0.08 -0.01 -0.47 117.98 121.64 1pyl s PHE 57 Ca 0.17 -0.14 -0.30 0.00 0.12 0.00 0.00 56.93 56.78 1pyl s PHE 57 Cb -0.11 -0.06 -0.07 0.00 -0.57 0.00 0.00 43.02 42.21 1pyl s PHE 57 CO 0.08 -0.05 1.02 0.99 -0.10 0.00 0.00 175.22 177.16 1pyl s THR 58 N -0.38 4.09 -0.19 0.64 2.01 -1.26 -1.30 115.64 119.24 1pyl s THR 58 Ca -0.04 1.86 -0.07 0.00 0.31 0.00 0.00 61.69 63.75 1pyl s THR 58 Cb -0.03 -4.18 -0.04 0.00 0.01 0.00 0.00 72.50 68.26 1pyl s THR 58 CO -0.00 0.34 0.05 -0.69 -0.69 0.00 0.00 174.62 173.64 1pyl s VAL 59 N -0.43 4.65 0.31 3.82 1.01 -0.73 -4.82 120.40 124.22 1pyl s VAL 59 Ca 0.46 -0.08 -0.29 0.00 0.00 0.00 0.00 61.98 62.07 1pyl s VAL 59 Cb -0.27 -3.10 -0.11 0.00 0.00 0.00 0.00 36.38 32.90 1pyl s VAL 59 CO 0.33 0.45 1.43 -0.69 0.00 0.00 0.00 175.10 176.62 1pyl s VAL 60 N 0.53 2.45 -0.31 2.92 1.01 -1.26 -4.37 120.40 121.37 1pyl s VAL 60 Ca 0.03 0.42 -0.10 0.00 0.00 0.00 0.00 61.98 62.32 1pyl s VAL 60 Cb -0.13 -3.27 -0.01 0.00 0.00 0.00 0.00 36.38 32.97 1pyl s VAL 60 CO 0.01 0.09 0.17 -0.89 0.00 0.00 0.00 175.10 174.47 1pyl s THR 61 N -0.62 4.75 0.26 3.92 2.01 -1.26 -4.80 115.64 119.90 1pyl s THR 61 Ca 0.55 -0.35 -0.31 0.00 0.31 0.00 0.00 61.69 61.89 1pyl s THR 61 Cb -0.43 -3.41 -0.13 0.00 0.01 0.00 0.00 72.50 68.54 1pyl s THR 61 CO 0.52 0.07 1.46 -2.65 -0.69 0.00 0.00 174.62 173.33 1pyl n PRO 62 N 5.01 2.26 0.00 4.92 -0.02 -1.26 -2.36 135.00 143.55 1pyl n PRO 62 Ca -0.14 0.80 0.00 0.00 -2.02 0.00 0.00 63.50 62.15 1pyl n PRO 62 Cb 0.49 -2.50 0.00 0.00 -0.02 0.00 0.00 33.50 31.48 1pyl n PRO 62 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1pyl n GLY 63 N 2.10 3.13 3.73 -1.23 0.00 -1.26 -5.03 105.19 106.63 1pyl n GLY 63 Ca 0.10 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.73 1pyl n GLY 63 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1pyl n SER 64 N 0.07 2.51 0.04 1.61 3.41 -0.99 -4.93 113.62 115.34 1pyl n SER 64 Ca 0.00 0.98 0.12 0.00 -0.26 0.00 0.00 58.87 59.72 1pyl n SER 64 Cb 0.00 -1.55 0.26 0.00 -0.26 0.00 0.00 64.21 62.66 1pyl n SER 64 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 1pyl n ASN 65 N -0.79 0.59 -1.33 4.04 6.94 -1.26 -4.95 115.26 118.50 1pyl n ASN 65 Ca 0.10 0.11 0.00 0.00 -0.02 0.00 0.00 54.58 54.77 1pyl n ASN 65 Cb 0.44 0.02 0.00 0.00 -2.36 0.00 0.00 39.78 37.88 1pyl n ASN 65 CO 0.00 0.00 0.00 -0.90 -1.03 0.00 0.00 177.26 175.33 1pyl n ASP 66 N -1.90 1.36 0.11 0.53 5.68 -1.26 -5.03 116.55 116.04 1pyl n ASP 66 Ca 0.04 -0.79 0.11 0.00 -0.50 0.00 0.00 54.79 53.65 1pyl n ASP 66 Cb 0.40 0.00 0.46 0.00 -1.14 0.00 0.00 41.12 40.85 1pyl n ASP 66 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 1pyl n ARG 67 N 0.00 0.16 0.00 0.11 1.74 -1.26 -4.85 116.66 112.55 1pyl n ARG 67 Ca 0.00 0.43 0.00 0.00 -0.77 0.00 0.00 57.85 57.51 1pyl n ARG 67 Cb 0.00 -1.82 0.00 0.00 -1.02 0.00 0.00 32.46 29.62 1pyl n ARG 67 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1pyl n GLY 68 N -0.22 0.15 0.38 -0.13 0.00 -1.26 -4.41 105.19 99.70 1pyl n GLY 68 Ca 0.02 -0.95 0.05 0.00 0.00 0.00 0.00 46.02 45.13 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 -0.33 0.00 -3.23 2.61 -2.24 -1.26 -4.98 114.28 104.85 1pyl n THR 69 Ca 0.00 -0.50 -0.39 0.00 -2.27 0.00 0.00 64.05 60.90 1pyl n THR 69 Cb 0.00 1.20 -0.06 0.00 -2.10 0.00 0.00 70.33 69.37 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 -0.81 4.30 0.01 -0.78 0.52 -1.26 -0.66 118.95 120.27 1pyl s ARG 70 Ca 0.11 0.69 -0.06 0.00 -0.52 0.00 0.00 55.73 55.95 1pyl s ARG 70 Cb 0.08 -3.34 -0.00 0.00 0.52 0.00 0.00 34.95 32.20 1pyl s ARG 70 CO 0.12 0.37 0.12 1.03 0.02 0.00 0.00 175.30 176.96 1pyl s ARG 71 N -0.17 0.50 -0.06 3.54 1.81 -0.06 -1.77 118.95 122.74 1pyl s ARG 71 Ca 0.30 -0.49 0.04 0.00 -1.72 0.00 0.00 55.73 53.86 1pyl s ARG 71 Cb -0.18 0.20 -0.02 0.00 -0.45 0.00 0.00 34.95 34.50 1pyl s ARG 71 CO 0.16 -0.12 -0.18 0.08 -0.68 0.00 0.00 175.30 174.56 1pyl s VAL 72 N -1.66 2.71 -0.11 3.52 1.01 -0.42 -0.91 120.40 124.54 1pyl s VAL 72 Ca -0.13 -0.84 0.04 0.00 0.00 0.00 0.00 61.98 61.05 1pyl s VAL 72 Cb -0.06 -2.04 0.00 0.00 0.00 0.00 0.00 36.38 34.27 1pyl s VAL 72 CO 0.00 0.58 -0.23 -0.69 0.00 0.00 0.00 175.10 174.75 1pyl s VAL 73 N -0.47 2.05 0.07 2.92 1.01 -0.18 -0.83 120.40 124.97 1pyl s VAL 73 Ca 0.06 -1.00 0.02 0.00 0.00 0.00 0.00 61.98 61.05 1pyl s VAL 73 Cb -0.12 -1.78 -0.04 0.00 0.00 0.00 0.00 36.38 34.44 1pyl s VAL 73 CO 0.01 0.56 0.12 0.42 0.00 0.00 0.00 175.10 176.21 1pyl s THR 74 N 0.47 4.81 0.47 3.92 -4.23 -0.13 -0.29 115.64 120.65 1pyl s THR 74 Ca -0.16 -0.62 0.07 0.00 -1.18 0.00 0.00 61.69 59.81 1pyl s THR 74 Cb -0.17 -3.32 0.01 0.00 1.34 0.00 0.00 72.50 70.35 1pyl s THR 74 CO 0.06 0.15 0.42 -0.83 -0.54 0.00 0.00 174.62 173.88 1pyl s GLY 75 N -2.36 2.17 0.00 3.99 0.00 0.01 -1.98 107.32 109.16 1pyl s GLY 75 Ca 0.30 -1.74 0.23 0.00 0.00 0.00 0.00 44.72 43.51 1pyl s GLY 75 CO 0.23 -1.77 1.73 0.61 0.00 0.00 0.00 173.10 173.90 1pyl n GLY 76 N -1.67 -1.13 0.88 0.20 0.00 -0.98 -1.62 105.19 100.87 1pyl n GLY 76 Ca 0.03 -0.10 0.07 0.00 0.00 0.00 0.00 46.02 46.03 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 -1.37 0.79 -0.42 1.61 4.01 -1.26 -4.96 117.16 115.56 1pyl n TYR 77 Ca 0.09 -0.65 0.00 0.00 -0.16 0.00 0.00 57.90 57.18 1pyl n TYR 77 Cb 0.21 -0.16 0.00 0.00 -0.31 0.00 0.00 39.34 39.08 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 0.27 0.76 3.76 2.72 0.00 -0.64 -5.06 105.19 107.01 1pyl n GLY 78 Ca 0.17 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.84 1pyl n GLY 78 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1pyl s GLU 79 N -0.58 3.10 -0.03 1.61 1.03 -1.26 -4.81 118.70 117.76 1pyl s GLU 79 Ca 0.00 1.68 0.03 0.00 0.03 0.00 0.00 54.97 56.71 1pyl s GLU 79 Cb 0.00 -1.96 -0.00 0.00 -0.80 0.00 0.00 34.13 31.37 1pyl s GLU 79 CO 0.00 -1.07 -0.12 -0.65 -1.33 0.00 0.00 175.26 172.09 1pyl s GLN 80 N -3.41 1.23 -0.02 -4.83 -0.21 -1.26 -0.81 119.66 110.35 1pyl s GLN 80 Ca 0.74 -0.42 0.06 0.00 0.02 0.00 0.00 55.36 55.76 1pyl s GLN 80 Cb -0.26 -1.12 -0.01 0.00 1.00 0.00 0.00 33.01 32.62 1pyl s GLN 80 CO 0.31 0.17 -0.19 0.71 -2.12 0.00 0.00 175.29 174.18 1pyl s TYR 81 N 0.08 1.77 -0.13 0.91 1.51 0.60 -0.71 117.35 121.38 1pyl s TYR 81 Ca -0.02 -0.38 -0.06 0.00 -1.01 0.00 0.00 57.07 55.60 1pyl s TYR 81 Cb -0.09 -1.15 -0.04 0.00 -0.11 0.00 0.00 41.96 40.57 1pyl s TYR 81 CO 0.01 -0.06 0.08 -0.46 -1.11 0.00 0.00 175.55 174.00 1pyl s TRP 82 N -0.35 3.37 -0.12 2.71 -0.11 0.53 -1.01 118.94 123.97 1pyl s TRP 82 Ca 0.05 0.30 -0.01 0.00 1.22 0.00 0.00 56.10 57.66 1pyl s TRP 82 Cb -0.09 -1.95 0.03 0.00 -1.50 0.00 0.00 33.47 29.97 1pyl s TRP 82 CO -0.00 0.48 -0.04 0.45 -4.62 0.00 0.00 176.95 173.22 1pyl s SER 83 N -0.53 2.20 0.11 5.86 0.15 -0.09 -1.09 113.70 120.30 1pyl s SER 83 Ca 0.11 -0.35 0.27 0.00 0.70 0.00 0.00 55.95 56.68 1pyl s SER 83 Cb -0.12 -0.73 0.88 0.00 -1.71 0.00 0.00 66.02 64.35 1pyl s SER 83 CO 0.02 -0.17 1.75 -0.81 1.20 0.00 0.00 173.24 175.23 1pyl n PRO 84 N 4.99 0.15 -2.42 5.44 -0.04 -1.26 -0.88 135.00 140.98 1pyl n PRO 84 Ca -0.11 0.10 -0.08 0.00 -0.04 0.00 0.00 63.50 63.38 1pyl n PRO 84 Cb 0.49 -1.66 0.04 0.00 -0.04 0.00 0.00 33.50 32.34 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 -1.91 2.69 -3.59 3.54 5.68 -1.22 -4.07 116.55 117.67 1pyl n ASP 85 Ca 0.06 -2.67 -0.20 0.00 -0.50 0.00 0.00 54.79 51.47 1pyl n ASP 85 Cb 0.39 -0.42 0.06 0.00 -1.14 0.00 0.00 41.12 40.01 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 -2.19 -0.87 2.11 -0.00 0.16 -2.96 115.22 110.88 1pyl n HIS 86 Ca 0.20 0.91 0.00 0.00 -0.00 0.00 0.00 57.72 58.83 1pyl n HIS 86 Cb 0.87 -4.75 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 -4.34 0.00 0.09 1.57 4.01 -1.26 -4.91 117.16 112.32 1pyl n TYR 87 Ca -0.23 0.00 -0.07 0.00 -0.16 0.00 0.00 57.90 57.44 1pyl n TYR 87 Cb 0.65 0.00 0.01 0.00 -0.31 0.00 0.00 39.34 39.69 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 0.59 -3.65 -0.72 0.00 -1.95 -3.45 119.26 110.08 1pyl h ALA 88 Ca 0.00 -0.71 -0.38 0.00 0.00 0.00 0.00 54.91 53.82 1pyl h ALA 88 Cb 0.00 -0.09 -0.25 0.00 0.00 0.00 0.00 17.79 17.45 1pyl h ALA 88 CO 0.00 0.92 -0.77 0.99 0.00 0.00 0.00 179.25 180.39 1pyl s THR 89 N -3.24 0.82 0.02 0.00 2.01 -1.26 -5.12 115.64 108.87 1pyl s THR 89 Ca -0.02 -0.85 0.03 0.00 0.31 0.00 0.00 61.69 61.15 1pyl s THR 89 Cb 0.11 -0.77 -0.01 0.00 0.01 0.00 0.00 72.50 71.83 1pyl s THR 89 CO 0.81 -0.06 -0.08 -0.36 -0.69 0.00 0.00 174.62 174.24 1pyl s PHE 90 N -0.82 0.73 -0.01 4.92 0.40 -1.26 -4.40 117.98 117.54 1pyl s PHE 90 Ca -0.01 -0.28 0.06 0.00 -0.60 0.00 0.00 56.93 56.09 1pyl s PHE 90 Cb -0.07 -0.45 -0.01 0.00 0.51 0.00 0.00 43.02 42.99 1pyl s PHE 90 CO 0.01 -0.02 -0.18 -0.65 0.70 0.00 0.00 175.22 175.07 1pyl s GLN 91 N -0.81 1.48 0.12 0.44 -0.21 -0.25 -4.38 119.66 116.05 1pyl s GLN 91 Ca -0.02 -0.67 -0.30 0.00 0.02 0.00 0.00 55.36 54.40 1pyl s GLN 91 Cb -0.06 -1.44 -0.06 0.00 1.00 0.00 0.00 33.01 32.45 1pyl s GLN 91 CO 0.00 0.39 0.98 -2.00 -2.12 0.00 0.00 175.29 172.54 1pyl s GLU 92 N -0.46 4.69 -0.13 2.91 2.12 -0.23 -0.34 118.70 127.25 1pyl s GLU 92 Ca 0.07 1.48 -0.29 0.00 0.36 0.00 0.00 54.97 56.60 1pyl s GLU 92 Cb -0.07 -3.36 -0.01 0.00 0.26 0.00 0.00 34.13 30.95 1pyl s GLU 92 CO -0.01 0.21 0.97 0.42 -0.54 0.00 0.00 175.26 176.31 1pyl s ILE 93 N -0.06 4.80 -0.38 -3.70 1.01 0.11 -1.18 121.20 121.79 1pyl s ILE 93 Ca 0.47 1.95 -0.23 0.00 0.00 0.00 0.00 60.65 62.84 1pyl s ILE 93 Cb -0.24 -4.27 0.01 0.00 0.01 0.00 0.00 42.46 37.97 1pyl s ILE 93 CO 0.30 -0.01 0.78 -0.62 0.00 0.00 0.00 174.94 175.40 1pyl s ASP 94 N 1.11 6.52 0.09 3.58 -1.08 0.75 -4.66 116.67 122.98 1pyl s ASP 94 Ca 0.46 0.25 0.25 0.00 -0.52 0.00 0.00 52.55 52.98 1pyl s ASP 94 Cb -0.18 -2.39 0.98 0.00 -1.46 0.00 0.00 42.92 39.87 1pyl s ASP 94 CO 0.16 -0.77 1.78 -0.81 0.52 0.00 0.00 175.17 176.05 1pyl n PRO 95 N 6.47 0.10 0.00 4.34 -0.04 -1.26 -1.67 135.00 142.94 1pyl n PRO 95 Ca 0.03 0.16 0.13 0.00 -0.04 0.00 0.00 63.50 63.78 1pyl n PRO 95 Cb 0.48 -1.63 0.48 0.00 -0.04 0.00 0.00 33.50 32.79 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 -1.81 0.32 0.00 0.54 3.00 -1.26 -4.87 116.66 112.59 1pyl n ARG 96 Ca 0.05 -0.13 0.00 0.00 -0.01 0.00 0.00 57.85 57.77 1pyl n ARG 96 Cb 0.32 -1.50 0.00 0.00 0.00 0.00 0.00 32.46 31.29 1pyl n ARG 96 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63