#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dby h GLU 2 N 0.00 1.09 -5.50 2.12 4.39 -1.92 -3.38 114.58 111.37 1dby h GLU 2 Ca 0.00 -0.27 -0.17 0.00 0.34 0.00 0.00 59.36 59.26 1dby h GLU 2 Cb 0.00 -0.14 -0.01 0.00 -0.10 0.00 0.00 28.75 28.50 1dby h GLU 2 CO 0.00 0.98 0.49 0.00 -1.16 0.00 0.00 179.01 179.32 1dby s ALA 3 N -5.28 1.12 1.08 3.43 0.00 -1.25 -3.94 121.76 116.92 1dby s ALA 3 Ca -0.12 -0.83 -0.16 0.00 0.00 0.00 0.00 51.96 50.85 1dby s ALA 3 Cb 0.14 -4.52 0.22 0.00 0.00 0.00 0.00 23.12 18.96 1dby s ALA 3 CO 0.84 -5.36 1.07 0.41 0.00 0.00 0.00 175.76 172.73 1dby n GLY 4 N 6.64 -1.95 3.27 0.00 0.00 -0.28 -4.79 105.19 108.09 1dby n GLY 4 Ca 0.42 -1.62 -0.31 0.00 0.00 0.00 0.00 46.02 44.51 1dby n GLY 4 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1dby s ALA 5 N -3.61 2.11 0.17 4.61 0.00 -1.26 -0.13 121.76 123.66 1dby s ALA 5 Ca 0.64 -1.04 0.00 0.00 0.00 0.00 0.00 51.96 51.55 1dby s ALA 5 Cb -0.03 -0.62 -0.04 0.00 0.00 0.00 0.00 23.12 22.43 1dby s ALA 5 CO 0.46 0.44 0.06 0.14 0.00 0.00 0.00 175.76 176.87 1dby s VAL 6 N -0.30 0.30 0.27 0.00 -7.23 0.28 -4.85 120.40 108.88 1dby s VAL 6 Ca 0.01 -1.96 -0.08 0.00 -1.81 0.00 0.00 61.98 58.14 1dby s VAL 6 Cb -0.12 -2.24 -0.01 0.00 0.56 0.00 0.00 36.38 34.57 1dby s VAL 6 CO 0.02 -0.31 0.43 0.21 -0.31 0.00 0.00 175.10 175.15 1dby s ASN 7 N -3.14 0.24 0.25 4.85 3.84 -1.26 -1.80 114.94 117.92 1dby s ASN 7 Ca 0.29 -1.17 -0.07 0.00 0.21 0.00 0.00 52.86 52.12 1dby s ASN 7 Cb 0.07 0.59 0.41 0.00 -0.55 0.00 0.00 41.25 41.76 1dby s ASN 7 CO 0.06 -1.16 1.40 -0.67 -2.79 0.00 0.00 177.10 173.95 1dby n ASP 8 N -0.69 -0.33 0.00 -4.21 -0.08 -1.26 -0.19 116.55 109.78 1dby n ASP 8 Ca -0.00 1.55 0.00 0.00 -1.51 0.00 0.00 54.79 54.82 1dby n ASP 8 Cb 0.62 -0.47 0.00 0.00 2.34 0.00 0.00 41.12 43.62 1dby n ASP 8 CO 0.00 0.00 0.00 -0.67 0.12 0.00 0.00 177.20 176.65 1dby n ASP 9 N -5.46 0.00 -0.03 1.67 2.03 -1.26 -3.56 116.55 109.94 1dby n ASP 9 Ca 0.14 0.89 0.07 0.00 0.52 0.00 0.00 54.79 56.41 1dby n ASP 9 Cb 0.45 -0.39 0.45 0.00 -0.72 0.00 0.00 41.12 40.91 1dby n ASP 9 CO 0.00 0.00 0.00 0.71 -1.92 0.00 0.00 177.20 175.99 1dby h THR 10 N 0.00 1.03 -0.94 5.18 1.35 -1.80 -2.65 112.91 115.07 1dby h THR 10 Ca 0.00 -0.17 0.28 0.00 -0.55 0.00 0.00 66.41 65.96 1dby h THR 10 Cb 0.00 0.48 -0.16 0.00 -1.73 0.00 0.00 68.15 66.73 1dby h THR 10 CO 0.00 0.09 0.20 0.15 -0.25 0.00 0.00 175.52 175.71 1dby h PHE 11 N 0.50 0.26 0.10 4.73 3.57 -0.63 0.14 116.94 125.62 1dby h PHE 11 Ca 0.20 0.06 0.02 0.00 3.53 0.00 0.00 57.97 61.78 1dby h PHE 11 Cb 0.16 0.04 -0.04 0.00 2.79 0.00 0.00 35.95 38.90 1dby h PHE 11 CO -0.00 -0.34 -0.32 0.87 -2.23 0.00 0.00 178.31 176.28 1dby h LYS 12 N 0.09 -0.52 -0.09 1.11 1.57 -1.55 0.38 116.57 117.57 1dby h LYS 12 Ca 0.62 0.04 -0.08 0.00 -1.87 0.00 0.00 60.65 59.35 1dby h LYS 12 Cb 1.34 0.12 0.00 0.00 0.08 0.00 0.00 32.23 33.77 1dby h LYS 12 CO -0.78 -0.35 -0.26 -0.91 -0.57 0.00 0.00 179.45 176.58 1dby h ASN 13 N -0.54 0.38 1.45 0.86 -0.26 -1.20 0.84 115.58 117.12 1dby h ASN 13 Ca 0.03 -0.60 0.00 0.00 -0.56 0.00 0.00 56.30 55.17 1dby h ASN 13 Cb 0.58 -0.11 0.00 0.00 -1.06 0.00 0.00 38.32 37.73 1dby h ASN 13 CO -0.20 0.91 -0.49 0.58 -1.06 0.00 0.00 177.43 177.17 1dby h VAL 14 N -0.14 0.00 0.00 2.81 2.07 -0.79 -3.33 116.25 116.87 1dby h VAL 14 Ca -0.01 -0.95 0.00 0.00 0.82 0.00 0.00 66.70 66.56 1dby h VAL 14 Cb 0.88 1.69 0.00 0.00 -1.52 0.00 0.00 31.29 32.34 1dby h VAL 14 CO 0.06 0.00 -0.56 0.52 0.02 0.00 0.00 177.57 177.61 1dby n VAL 15 N -2.81 0.14 0.04 2.57 0.31 0.12 -4.66 118.33 114.02 1dby n VAL 15 Ca 0.02 0.05 -0.12 0.00 -0.01 0.00 0.00 64.34 64.27 1dby n VAL 15 Cb 0.53 -1.18 -0.09 0.00 -0.91 0.00 0.00 33.84 32.19 1dby n VAL 15 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 1dby h LEU 16 N 0.00 -0.12 0.00 7.52 3.38 -0.80 -3.28 115.31 122.01 1dby h LEU 16 Ca 0.00 -0.41 0.00 0.00 0.09 0.00 0.00 57.88 57.56 1dby h LEU 16 Cb 0.56 0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.34 1dby h LEU 16 CO 0.00 0.38 0.00 -0.62 0.09 0.00 0.00 178.44 178.29 1dby n GLU 17 N -4.92 0.08 -1.69 1.13 1.02 0.26 -0.23 120.64 116.30 1dby n GLU 17 Ca -0.08 0.02 -0.44 0.00 -0.02 0.00 0.00 57.16 56.64 1dby n GLU 17 Cb 0.26 -1.50 -0.02 0.00 -0.02 0.00 0.00 31.44 30.16 1dby n GLU 17 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 1dby n SER 18 N -1.46 2.95 -0.04 1.62 7.64 -1.24 -4.96 113.62 118.14 1dby n SER 18 Ca 0.08 1.15 -0.00 0.00 1.01 0.00 0.00 58.87 61.11 1dby n SER 18 Cb 0.31 -1.46 -0.00 0.00 -1.01 0.00 0.00 64.21 62.04 1dby n SER 18 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 1dby h SER 19 N 4.13 -0.01 -4.27 6.43 4.64 -1.92 -3.30 113.55 119.25 1dby h SER 19 Ca -0.45 0.00 -0.49 0.00 -0.47 0.00 0.00 61.79 60.37 1dby h SER 19 Cb 1.27 0.00 0.05 0.00 -0.31 0.00 0.00 62.40 63.40 1dby h SER 19 CO 0.75 0.39 0.39 0.68 -0.87 0.00 0.00 176.83 178.17 1dby s VAL 20 N -1.46 4.48 0.86 0.95 -7.23 -1.26 -4.68 120.40 112.06 1dby s VAL 20 Ca -0.00 0.99 -0.13 0.00 -1.81 0.00 0.00 61.98 61.03 1dby s VAL 20 Cb 0.00 -3.71 0.04 0.00 0.56 0.00 0.00 36.38 33.26 1dby s VAL 20 CO 0.00 -0.87 0.67 -2.65 -0.31 0.00 0.00 175.10 171.95 1dby n PRO 21 N -2.25 -0.07 -3.66 4.82 -0.02 -1.23 -4.78 135.00 127.81 1dby n PRO 21 Ca 0.07 0.04 -0.21 0.00 -2.02 0.00 0.00 63.50 61.38 1dby n PRO 21 Cb 0.54 -2.02 -0.18 0.00 -0.02 0.00 0.00 33.50 31.82 1dby n PRO 21 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1dby s VAL 22 N -2.25 -0.12 -0.84 -1.45 1.01 0.52 -0.43 120.40 116.84 1dby s VAL 22 Ca 0.63 0.33 -0.17 0.00 0.00 0.00 0.00 61.98 62.77 1dby s VAL 22 Cb -0.26 -0.23 0.15 0.00 0.00 0.00 0.00 36.38 36.05 1dby s VAL 22 CO 0.61 0.11 0.95 -0.22 0.00 0.00 0.00 175.10 176.54 1dby s LEU 23 N 2.18 5.63 -0.23 3.92 0.20 0.56 -0.45 118.68 130.48 1dby s LEU 23 Ca 0.04 -2.14 -0.11 0.00 0.69 0.00 0.00 54.13 52.61 1dby s LEU 23 Cb -0.13 -2.33 -0.05 0.00 -0.43 0.00 0.00 46.19 43.26 1dby s LEU 23 CO -0.04 -0.92 0.19 0.54 -0.29 0.00 0.00 176.35 175.83 1dby s VAL 24 N 1.91 5.34 -0.27 1.68 0.11 -0.24 -0.09 120.40 128.85 1dby s VAL 24 Ca 0.25 0.25 -0.11 0.00 -2.93 0.00 0.00 61.98 59.43 1dby s VAL 24 Cb -0.09 -3.53 -0.05 0.00 -1.53 0.00 0.00 36.38 31.18 1dby s VAL 24 CO -0.07 0.33 0.21 -0.62 -3.33 0.00 0.00 175.10 171.62 1dby s ASP 25 N 1.05 6.08 -0.31 3.54 2.15 0.41 -0.30 116.67 129.29 1dby s ASP 25 Ca 0.09 0.06 -0.29 0.00 0.43 0.00 0.00 52.55 52.84 1dby s ASP 25 Cb -0.14 -2.13 0.02 0.00 -0.30 0.00 0.00 42.92 40.37 1dby s ASP 25 CO 0.05 -0.04 1.09 -0.36 -0.17 0.00 0.00 175.17 175.74 1dby s PHE 26 N 1.62 3.13 0.03 -5.34 0.40 -0.05 -0.39 117.98 117.38 1dby s PHE 26 Ca 0.08 1.19 0.00 0.00 -0.60 0.00 0.00 56.93 57.61 1dby s PHE 26 Cb -0.15 -3.69 -0.00 0.00 0.51 0.00 0.00 43.02 39.69 1dby s PHE 26 CO 0.09 -0.81 0.01 -2.67 0.70 0.00 0.00 175.22 172.55 1dby n TRP 27 N 6.88 -0.01 -3.58 0.36 4.27 -0.03 -3.22 117.44 122.12 1dby n TRP 27 Ca 0.12 -0.19 -0.10 0.00 -3.89 0.00 0.00 57.50 53.45 1dby n TRP 27 Cb 0.47 0.01 -0.05 0.00 -1.36 0.00 0.00 31.31 30.38 1dby n TRP 27 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1dby s ALA 28 N -2.08 -1.94 0.28 -1.67 0.00 -1.26 -0.31 121.76 114.78 1dby s ALA 28 Ca 0.02 1.56 0.01 0.00 0.00 0.00 0.00 51.96 53.55 1dby s ALA 28 Cb 0.00 -0.65 0.55 0.00 0.00 0.00 0.00 23.12 23.02 1dby s ALA 28 CO 0.01 -0.34 1.83 -1.00 0.00 0.00 0.00 175.76 176.26 1dby h PRO 29 N 2.47 0.96 0.00 0.00 0.13 -2.01 0.15 132.00 133.70 1dby h PRO 29 Ca -0.18 -0.06 0.00 0.00 -0.87 0.00 0.00 66.00 64.90 1dby h PRO 29 Cb 1.17 -0.22 0.00 0.00 0.13 0.00 0.00 31.00 32.08 1dby h PRO 29 CO 0.30 0.64 0.00 0.11 -0.23 0.00 0.00 178.00 178.82 1dby h TRP 30 N 0.99 0.00 -0.73 1.56 5.08 -2.06 -3.39 115.95 117.40 1dby h TRP 30 Ca 0.50 0.00 -0.60 0.00 1.08 0.00 0.00 58.89 59.87 1dby h TRP 30 Cb 0.49 0.00 -0.07 0.00 -3.00 0.00 0.00 29.16 26.58 1dby h TRP 30 CO -0.00 0.00 1.99 0.00 -1.28 0.00 0.00 178.44 179.15 1dby h GLY 32 N 13.66 -0.54 -0.51 0.00 0.00 -1.82 0.18 103.07 114.03 1dby h GLY 32 Ca 0.40 0.62 0.34 0.00 0.00 0.00 0.00 47.33 48.70 1dby h GLY 32 CO 1.43 -0.12 0.79 -2.55 0.00 0.00 0.00 176.54 176.09 1dby h PRO 33 N -0.18 0.20 0.04 4.80 0.11 -1.93 -0.57 132.00 134.48 1dby h PRO 33 Ca 0.18 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 66.28 1dby h PRO 33 Cb 0.54 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 31.61 1dby h PRO 33 CO -0.76 0.13 -0.02 0.00 -0.21 0.00 0.00 178.00 177.14 1dby h ARG 35 N -0.96 0.04 0.00 0.00 9.65 -0.14 0.13 114.38 123.10 1dby h ARG 35 Ca -0.01 -0.00 -0.06 0.00 -1.10 0.00 0.00 59.98 58.81 1dby h ARG 35 Cb 0.55 -0.01 -0.01 0.00 -1.39 0.00 0.00 29.97 29.11 1dby h ARG 35 CO 0.01 0.03 -0.27 -0.84 2.80 0.00 0.00 179.97 181.70 1dby h ILE 36 N 0.05 0.85 0.00 1.20 -0.00 -1.28 -2.98 117.51 115.35 1dby h ILE 36 Ca 0.33 -1.08 -0.18 0.00 -0.00 0.00 0.00 64.86 63.94 1dby h ILE 36 Cb 0.54 1.65 -0.03 0.00 -0.00 0.00 0.00 36.82 38.98 1dby h ILE 36 CO -0.64 0.27 -1.27 0.16 -0.00 0.00 0.00 178.15 176.67 1dby h ILE 37 N 0.00 0.68 -0.97 0.16 3.07 -1.09 -3.40 117.51 115.97 1dby h ILE 37 Ca -0.00 -2.21 0.28 0.00 1.55 0.00 0.00 64.86 64.47 1dby h ILE 37 Cb 0.63 2.20 -0.18 0.00 -0.27 0.00 0.00 36.82 39.20 1dby h ILE 37 CO 0.04 0.39 0.05 0.00 -1.05 0.00 0.00 178.15 177.57 1dby n ALA 38 N -2.38 0.53 -0.25 0.16 0.00 -0.17 0.27 120.51 118.66 1dby n ALA 38 Ca -0.08 1.04 -0.07 0.00 0.00 0.00 0.00 53.44 54.33 1dby n ALA 38 Cb 0.86 -0.78 0.05 0.00 0.00 0.00 0.00 19.45 19.58 1dby n ALA 38 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1dby h PRO 39 N 0.00 1.07 0.19 0.00 0.11 -1.77 -0.87 132.00 130.73 1dby h PRO 39 Ca 0.60 -0.22 -0.01 0.00 0.11 0.00 0.00 66.00 66.49 1dby h PRO 39 Cb 1.27 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 32.23 1dby h PRO 39 CO -0.91 0.91 -0.09 0.28 -0.21 0.00 0.00 178.00 177.98 1dby h VAL 40 N 1.01 0.87 -0.67 3.15 2.07 -0.44 0.21 116.25 122.45 1dby h VAL 40 Ca 0.23 -0.24 0.14 0.00 0.82 0.00 0.00 66.70 67.65 1dby h VAL 40 Cb 0.27 1.02 -0.11 0.00 -1.52 0.00 0.00 31.29 30.95 1dby h VAL 40 CO -0.01 0.06 0.07 0.58 0.02 0.00 0.00 177.57 178.28 1dby h VAL 41 N -0.37 0.49 0.33 2.57 2.07 -0.58 0.51 116.25 121.29 1dby h VAL 41 Ca -0.03 -0.06 -0.02 0.00 0.82 0.00 0.00 66.70 67.42 1dby h VAL 41 Cb 0.28 0.30 0.00 0.00 -1.52 0.00 0.00 31.29 30.36 1dby h VAL 41 CO 0.04 0.03 -0.16 -0.78 0.02 0.00 0.00 177.57 176.72 1dby h ASP 42 N 0.18 -0.38 -0.25 0.57 3.58 -0.80 -0.33 116.42 118.98 1dby h ASP 42 Ca 0.36 -0.17 -0.00 0.00 0.42 0.00 0.00 57.03 57.64 1dby h ASP 42 Cb 0.61 0.10 -0.01 0.00 1.72 0.00 0.00 39.33 41.74 1dby h ASP 42 CO -0.53 0.02 0.15 1.05 -2.88 0.00 0.00 179.24 177.05 1dby h GLU 43 N -0.85 0.37 -0.05 0.28 4.11 -0.79 0.34 114.58 117.99 1dby h GLU 43 Ca -0.05 -0.03 -0.01 0.00 0.07 0.00 0.00 59.36 59.35 1dby h GLU 43 Cb 0.53 -0.08 -0.00 0.00 0.50 0.00 0.00 28.75 29.69 1dby h GLU 43 CO 0.08 0.28 0.00 0.82 0.07 0.00 0.00 179.01 180.26 1dby h ILE 44 N 0.38 1.23 -0.57 -1.06 2.04 -0.83 0.32 117.51 119.02 1dby h ILE 44 Ca 0.10 -0.69 0.08 0.00 1.00 0.00 0.00 64.86 65.35 1dby h ILE 44 Cb 0.01 1.60 -0.03 0.00 -0.74 0.00 0.00 36.82 37.66 1dby h ILE 44 CO -0.02 0.19 0.38 0.00 0.00 0.00 0.00 178.15 178.70 1dby h ALA 45 N 0.74 1.94 0.56 1.87 0.00 -0.03 -0.28 119.26 124.06 1dby h ALA 45 Ca 0.01 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 1dby h ALA 45 Cb 0.30 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.98 1dby h ALA 45 CO 0.00 -0.05 -0.31 0.78 0.00 0.00 0.00 179.25 179.67 1dby h GLY 46 N 0.45 -0.86 0.21 0.00 0.00 0.40 0.11 103.07 103.38 1dby h GLY 46 Ca 0.25 0.35 0.16 0.00 0.00 0.00 0.00 47.33 48.09 1dby h GLY 46 CO -0.07 -0.32 0.51 0.83 0.00 0.00 0.00 176.54 177.50 1dby h GLU 47 N -0.82 0.69 -0.84 4.80 5.08 -0.00 -1.62 114.58 121.86 1dby h GLU 47 Ca -0.07 -0.04 -0.28 0.00 -1.00 0.00 0.00 59.36 57.96 1dby h GLU 47 Cb 0.65 -0.16 -0.17 0.00 0.50 0.00 0.00 28.75 29.58 1dby h GLU 47 CO 0.09 0.45 0.36 0.66 -1.00 0.00 0.00 179.01 179.58 1dby n TYR 48 N -4.81 2.46 -0.53 4.33 4.01 -0.21 -5.02 117.16 117.39 1dby n TYR 48 Ca 0.19 -1.31 -0.28 0.00 -0.16 0.00 0.00 57.90 56.34 1dby n TYR 48 Cb 0.47 -0.73 0.25 0.00 -0.31 0.00 0.00 39.34 39.03 1dby n TYR 48 CO 0.00 0.00 0.00 -1.59 -0.46 0.00 0.00 176.86 174.81 1dby s LYS 49 N -2.86 -0.98 0.00 -0.72 0.00 0.34 -2.12 119.74 113.39 1dby s LYS 49 Ca 0.51 0.85 0.00 0.00 0.00 0.00 0.00 55.97 57.33 1dby s LYS 49 Cb 0.42 -1.55 0.00 0.00 0.00 0.00 0.00 37.83 36.70 1dby s LYS 49 CO 0.12 -3.77 0.00 -3.47 0.00 0.00 0.00 175.35 168.23 1dby n ASP 50 N -4.95 0.00 -0.03 0.03 2.03 -1.26 -4.31 116.55 108.06 1dby n ASP 50 Ca 0.03 0.00 -0.08 0.00 0.52 0.00 0.00 54.79 55.26 1dby n ASP 50 Cb 0.54 0.00 -0.07 0.00 -0.72 0.00 0.00 41.12 40.87 1dby n ASP 50 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 1dby h LYS 51 N 0.00 -0.05 -4.68 -0.67 6.56 -1.95 -3.44 116.57 112.34 1dby h LYS 51 Ca 0.00 0.00 -0.69 0.00 -1.06 0.00 0.00 60.65 58.91 1dby h LYS 51 Cb 0.00 0.01 -0.20 0.00 -0.57 0.00 0.00 32.23 31.47 1dby h LYS 51 CO 0.00 0.43 -0.48 -1.17 -2.06 0.00 0.00 179.45 176.17 1dby s LEU 52 N -8.52 4.60 0.71 2.94 2.96 -0.90 -3.57 118.68 116.89 1dby s LEU 52 Ca -0.10 -0.54 -0.11 0.00 -0.22 0.00 0.00 54.13 53.15 1dby s LEU 52 Cb -0.01 -2.12 0.02 0.00 0.50 0.00 0.00 46.19 44.57 1dby s LEU 52 CO 0.37 -0.28 1.08 -0.75 -1.32 0.00 0.00 176.35 175.45 1dby s LYS 53 N 1.70 2.83 -0.03 1.98 2.36 0.43 -4.49 119.74 124.51 1dby s LYS 53 Ca 0.06 0.60 -0.08 0.00 -2.55 0.00 0.00 55.97 53.99 1dby s LYS 53 Cb -0.18 -2.01 0.01 0.00 -1.05 0.00 0.00 37.83 34.61 1dby s LYS 53 CO 0.10 -1.09 0.18 0.00 1.55 0.00 0.00 175.35 176.09 1dby s VAL 55 N -0.81 0.01 -0.22 0.00 1.01 0.88 -1.12 120.40 120.15 1dby s VAL 55 Ca -0.09 -1.13 -0.03 0.00 0.00 0.00 0.00 61.98 60.73 1dby s VAL 55 Cb -0.05 -1.99 0.07 0.00 0.00 0.00 0.00 36.38 34.41 1dby s VAL 55 CO 0.01 -0.03 0.07 -0.54 0.00 0.00 0.00 175.10 174.61 1dby s LYS 56 N -3.95 0.48 -0.31 2.72 1.02 0.82 -0.44 119.74 120.08 1dby s LYS 56 Ca 0.16 -0.45 -0.23 0.00 0.02 0.00 0.00 55.97 55.47 1dby s LYS 56 Cb -0.03 -1.92 -0.00 0.00 -0.52 0.00 0.00 37.83 35.36 1dby s LYS 56 CO 0.06 -0.74 0.75 -1.17 -0.92 0.00 0.00 175.35 173.32 1dby s LEU 57 N 1.91 4.10 -0.55 3.17 2.96 0.47 -0.55 118.68 130.20 1dby s LEU 57 Ca 0.02 0.60 -0.27 0.00 -0.22 0.00 0.00 54.13 54.25 1dby s LEU 57 Cb -0.17 -3.01 -0.00 0.00 0.50 0.00 0.00 46.19 43.51 1dby s LEU 57 CO -0.14 -0.58 1.59 0.21 -1.32 0.00 0.00 176.35 176.11 1dby s ASN 58 N 1.63 5.85 0.17 3.68 3.84 -0.75 -0.85 114.94 128.52 1dby s ASN 58 Ca 0.30 0.42 -0.14 0.00 0.21 0.00 0.00 52.86 53.66 1dby s ASN 58 Cb -0.14 -2.54 0.12 0.00 -0.55 0.00 0.00 41.25 38.14 1dby s ASN 58 CO 0.12 -1.90 1.76 0.74 -2.79 0.00 0.00 177.10 175.03 1dby h THR 59 N 6.57 0.89 -0.38 -5.21 2.02 -0.95 0.33 112.91 116.17 1dby h THR 59 Ca -0.28 -0.13 -0.10 0.00 0.77 0.00 0.00 66.41 66.68 1dby h THR 59 Cb 1.12 0.49 -0.02 0.00 -1.74 0.00 0.00 68.15 68.01 1dby h THR 59 CO 1.17 0.07 -0.16 -0.78 0.37 0.00 0.00 175.52 176.18 1dby h ASP 60 N 0.37 0.71 1.07 4.18 1.82 -1.89 -1.23 116.42 121.45 1dby h ASP 60 Ca 0.21 -0.23 -0.15 0.00 -0.39 0.00 0.00 57.03 56.47 1dby h ASP 60 Cb 0.18 -0.19 -0.02 0.00 0.68 0.00 0.00 39.33 39.97 1dby h ASP 60 CO -0.19 0.88 -0.98 -0.08 -1.61 0.00 0.00 179.24 177.26 1dby h GLU 61 N 0.64 0.00 -1.83 0.28 4.81 -1.88 -3.38 114.58 113.21 1dby h GLU 61 Ca 0.10 0.00 -0.57 0.00 -0.13 0.00 0.00 59.36 58.76 1dby h GLU 61 Cb 0.63 0.00 -0.42 0.00 0.63 0.00 0.00 28.75 29.60 1dby h GLU 61 CO 0.04 0.46 -0.74 0.45 -0.73 0.00 0.00 179.01 178.50 1dby n SER 62 N -3.09 4.27 0.29 1.04 2.88 0.11 -4.85 113.62 114.27 1dby n SER 62 Ca -0.04 -3.62 0.16 0.00 -1.33 0.00 0.00 58.87 54.04 1dby n SER 62 Cb 0.81 -0.51 0.93 0.00 -0.75 0.00 0.00 64.21 64.69 1dby n SER 62 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 1dby h PRO 63 N 2.79 0.00 0.00 -1.46 0.13 -1.43 -2.63 132.00 129.40 1dby h PRO 63 Ca 0.20 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.33 1dby h PRO 63 Cb 0.76 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.89 1dby h PRO 63 CO 0.80 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.66 1dby n ASN 64 N -3.77 0.00 -0.14 1.44 4.13 -1.26 -0.35 115.26 115.31 1dby n ASN 64 Ca -0.03 0.92 -0.04 0.00 1.68 0.00 0.00 54.58 57.12 1dby n ASN 64 Cb 0.11 -0.42 0.04 0.00 -1.54 0.00 0.00 39.78 37.97 1dby n ASN 64 CO 0.00 0.00 0.00 0.58 0.28 0.00 0.00 177.26 178.12 1dby h VAL 65 N 0.00 0.70 -0.42 2.41 2.07 -1.92 -0.02 116.25 119.08 1dby h VAL 65 Ca 0.00 -0.05 0.09 0.00 0.82 0.00 0.00 66.70 67.55 1dby h VAL 65 Cb 0.00 0.54 -0.09 0.00 -1.52 0.00 0.00 31.29 30.22 1dby h VAL 65 CO 0.00 0.03 -0.18 0.00 0.02 0.00 0.00 177.57 177.44 1dby h ALA 66 N 1.37 0.15 -0.20 1.67 0.00 -1.37 -0.29 119.26 120.60 1dby h ALA 66 Ca 0.22 0.15 -0.11 0.00 0.00 0.00 0.00 54.91 55.17 1dby h ALA 66 Cb 0.30 0.44 -0.00 0.00 0.00 0.00 0.00 17.79 18.54 1dby h ALA 66 CO -0.33 -0.53 -0.29 0.66 0.00 0.00 0.00 179.25 178.76 1dby h SER 67 N -0.09 0.60 -0.50 0.00 4.64 -0.11 0.24 113.55 118.33 1dby h SER 67 Ca 0.20 -0.52 0.09 0.00 -0.47 0.00 0.00 61.79 61.10 1dby h SER 67 Cb 0.41 -0.17 -0.07 0.00 -0.31 0.00 0.00 62.40 62.25 1dby h SER 67 CO -0.48 1.00 0.08 -0.33 -0.87 0.00 0.00 176.83 176.23 1dby h GLU 68 N 0.22 0.20 0.02 4.77 5.08 -0.62 -1.79 114.58 122.47 1dby h GLU 68 Ca 0.02 -0.01 -0.22 0.00 -1.00 0.00 0.00 59.36 58.15 1dby h GLU 68 Cb 0.87 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 30.05 1dby h GLU 68 CO 0.07 0.13 -1.02 1.88 -1.00 0.00 0.00 179.01 179.07 1dby h TYR 69 N 0.21 0.11 -1.63 4.33 0.05 -1.06 -3.49 116.97 115.49 1dby h TYR 69 Ca 0.25 -0.08 0.00 0.00 0.05 0.00 0.00 58.73 58.95 1dby h TYR 69 Cb 0.35 -0.01 0.00 0.00 1.01 0.00 0.00 36.73 38.08 1dby h TYR 69 CO -0.24 1.03 0.00 0.41 -1.05 0.00 0.00 178.16 178.31 1dby n GLY 70 N 1.30 0.55 3.55 3.88 0.00 0.79 -4.97 105.19 110.28 1dby n GLY 70 Ca -0.02 -0.47 -0.38 0.00 0.00 0.00 0.00 46.02 45.15 1dby n GLY 70 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1dby s ILE 71 N -2.82 3.55 -1.37 -0.61 -4.36 -0.85 -4.88 121.20 109.85 1dby s ILE 71 Ca 0.00 0.12 -0.15 0.00 -0.26 0.00 0.00 60.65 60.37 1dby s ILE 71 Cb 0.00 -4.40 0.00 0.00 1.25 0.00 0.00 42.46 39.31 1dby s ILE 71 CO 0.00 -1.35 2.24 -2.11 0.24 0.00 0.00 174.94 173.96 1dby n ARG 72 N 9.19 2.72 0.00 0.37 0.00 -1.26 -4.73 116.66 122.95 1dby n ARG 72 Ca 0.18 -2.45 0.00 0.00 -0.00 0.00 0.00 57.85 55.58 1dby n ARG 72 Cb 0.50 -3.19 0.00 0.00 -0.00 0.00 0.00 32.46 29.78 1dby n ARG 72 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 1dby n SER 73 N 6.07 0.00 -3.99 2.89 2.88 -1.26 -5.13 113.62 115.08 1dby n SER 73 Ca 0.54 0.00 -0.08 0.00 -1.33 0.00 0.00 58.87 57.99 1dby n SER 73 Cb 0.38 0.00 -0.09 0.00 -0.75 0.00 0.00 64.21 63.75 1dby n SER 73 CO 0.00 0.00 0.00 0.27 -1.23 0.00 0.00 175.04 174.08 1dby s ILE 74 N -1.72 0.16 0.72 2.46 -4.36 -1.26 -4.68 121.20 112.52 1dby s ILE 74 Ca 0.00 -1.52 -0.13 0.00 -0.26 0.00 0.00 60.65 58.74 1dby s ILE 74 Cb 0.00 -1.53 0.03 0.00 1.25 0.00 0.00 42.46 42.22 1dby s ILE 74 CO 0.00 -0.74 1.11 -2.16 0.24 0.00 0.00 174.94 173.40 1dby s PRO 75 N -3.91 2.44 -0.28 0.37 0.04 -1.26 -4.81 135.00 127.59 1dby s PRO 75 Ca 0.09 1.35 0.01 0.00 0.04 0.00 0.00 61.00 62.49 1dby s PRO 75 Cb 0.06 -1.91 0.15 0.00 0.04 0.00 0.00 34.50 32.85 1dby s PRO 75 CO -0.08 -1.52 0.41 0.99 0.04 0.00 0.00 177.00 176.83 1dby s THR 76 N -2.53 -0.63 0.05 1.26 2.01 -1.20 -1.21 115.64 113.39 1dby s THR 76 Ca 0.65 -0.24 -0.30 0.00 0.31 0.00 0.00 61.69 62.12 1dby s THR 76 Cb -0.20 -0.95 -0.04 0.00 0.01 0.00 0.00 72.50 71.32 1dby s THR 76 CO 0.48 -0.24 0.98 -0.63 -0.69 0.00 0.00 174.62 174.51 1dby s ILE 77 N 2.55 4.69 -0.03 1.82 1.01 0.56 -0.87 121.20 130.93 1dby s ILE 77 Ca 0.11 2.05 0.05 0.00 0.00 0.00 0.00 60.65 62.86 1dby s ILE 77 Cb -0.13 -4.31 -0.01 0.00 0.01 0.00 0.00 42.46 38.02 1dby s ILE 77 CO -0.27 0.23 -0.18 -0.04 0.00 0.00 0.00 174.94 174.68 1dby s MET 78 N 0.58 1.74 -0.56 2.79 -1.94 0.59 -0.47 119.30 122.03 1dby s MET 78 Ca 0.50 -0.64 -0.18 0.00 -1.71 0.00 0.00 55.69 53.65 1dby s MET 78 Cb -0.22 -1.56 0.10 0.00 2.01 0.00 0.00 34.83 35.16 1dby s MET 78 CO 0.29 0.30 0.63 0.08 -0.01 0.00 0.00 175.02 176.31 1dby s VAL 79 N -0.12 4.93 0.24 -6.03 1.01 0.04 -1.07 120.40 119.40 1dby s VAL 79 Ca -0.00 -1.00 -0.13 0.00 0.00 0.00 0.00 61.98 60.85 1dby s VAL 79 Cb -0.10 -4.40 -0.08 0.00 0.00 0.00 0.00 36.38 31.80 1dby s VAL 79 CO 0.01 -0.98 0.61 -0.36 0.00 0.00 0.00 175.10 174.39 1dby s PHE 80 N 2.40 3.46 -0.11 5.22 0.40 0.41 0.20 117.98 129.96 1dby s PHE 80 Ca 0.10 1.04 0.19 0.00 -0.60 0.00 0.00 56.93 57.66 1dby s PHE 80 Cb -0.24 -2.38 0.38 0.00 0.51 0.00 0.00 43.02 41.29 1dby s PHE 80 CO 0.07 0.26 1.17 0.36 0.70 0.00 0.00 175.22 177.77 1dby n LYS 81 N 0.04 0.64 0.00 0.44 0.00 -1.08 -0.36 118.16 117.85 1dby n LYS 81 Ca -0.00 -2.19 0.00 0.00 -0.00 0.00 0.00 58.31 56.12 1dby n LYS 81 Cb 0.52 -0.33 0.00 0.00 -0.00 0.00 0.00 35.03 35.22 1dby n LYS 81 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1dby n GLY 82 N -0.12 1.35 5.05 2.58 0.00 -1.24 -4.90 105.19 107.92 1dby n GLY 82 Ca -0.02 -0.88 0.00 0.00 0.00 0.00 0.00 46.02 45.12 1dby n GLY 82 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1dby n GLY 83 N 1.24 1.14 3.98 -0.02 0.00 0.68 -4.81 105.19 107.39 1dby n GLY 83 Ca 0.00 0.03 -0.18 0.00 0.00 0.00 0.00 46.02 45.87 1dby n GLY 83 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1dby s LYS 84 N 0.00 2.77 0.64 1.61 1.02 -1.26 -4.73 119.74 119.79 1dby s LYS 84 Ca 0.00 -1.30 -0.08 0.00 0.02 0.00 0.00 55.97 54.61 1dby s LYS 84 Cb 0.00 -2.68 0.01 0.00 -0.52 0.00 0.00 37.83 34.65 1dby s LYS 84 CO 0.00 -0.24 0.98 -1.59 -0.92 0.00 0.00 175.35 173.57 1dby s LYS 85 N -4.30 2.84 0.07 1.68 -2.85 -1.26 -2.63 119.74 113.30 1dby s LYS 85 Ca 0.53 0.13 -0.01 0.00 -1.00 0.00 0.00 55.97 55.62 1dby s LYS 85 Cb -0.08 -2.18 -0.00 0.00 -2.06 0.00 0.00 37.83 33.50 1dby s LYS 85 CO 0.32 -0.86 -0.02 0.00 0.10 0.00 0.00 175.35 174.89 1dby s GLU 87 N -2.05 1.77 0.16 0.00 0.41 -1.24 -4.99 118.70 112.76 1dby s GLU 87 Ca -0.02 -2.04 -0.21 0.00 -0.41 0.00 0.00 54.97 52.28 1dby s GLU 87 Cb 0.00 -0.33 0.06 0.00 -1.78 0.00 0.00 34.13 32.08 1dby s GLU 87 CO 0.03 -0.47 0.57 -0.08 -0.49 0.00 0.00 175.26 174.82 1dby s THR 88 N -3.39 0.01 -0.05 3.63 -1.32 -1.26 -0.78 115.64 112.49 1dby s THR 88 Ca 0.31 -0.20 -0.01 0.00 -1.21 0.00 0.00 61.69 60.58 1dby s THR 88 Cb 0.04 -1.12 0.03 0.00 -1.51 0.00 0.00 72.50 69.94 1dby s THR 88 CO 0.17 -0.06 0.03 -0.63 -2.21 0.00 0.00 174.62 171.92 1dby s ILE 89 N -3.78 0.10 -0.08 5.08 1.01 0.38 -4.97 121.20 118.94 1dby s ILE 89 Ca 0.02 0.25 -0.01 0.00 0.00 0.00 0.00 60.65 60.91 1dby s ILE 89 Cb -0.01 -0.29 -0.03 0.00 0.01 0.00 0.00 42.46 42.14 1dby s ILE 89 CO -0.11 0.19 -0.02 -0.63 0.00 0.00 0.00 174.94 174.37 1dby s ILE 90 N 1.77 4.12 0.00 2.92 1.01 -1.26 -0.32 121.20 129.44 1dby s ILE 90 Ca 0.01 -0.32 0.00 0.00 0.00 0.00 0.00 60.65 60.34 1dby s ILE 90 Cb -0.12 -2.72 0.00 0.00 0.01 0.00 0.00 42.46 39.63 1dby s ILE 90 CO -0.03 0.60 0.00 0.61 0.00 0.00 0.00 174.94 176.12 1dby n GLY 91 N 2.20 -1.98 3.18 6.18 0.00 -0.35 -4.68 105.19 109.73 1dby n GLY 91 Ca -0.18 -1.43 -0.40 0.00 0.00 0.00 0.00 46.02 44.01 1dby n GLY 91 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1dby n ALA 92 N -1.14 3.66 -1.80 4.61 0.00 -1.26 -4.84 120.51 119.73 1dby n ALA 92 Ca 0.00 -3.50 -0.34 0.00 0.00 0.00 0.00 53.44 49.60 1dby n ALA 92 Cb 0.00 -3.58 -0.06 0.00 0.00 0.00 0.00 19.45 15.81 1dby n ALA 92 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1dby s VAL 93 N 5.58 4.18 0.84 0.00 -7.23 -1.26 -5.01 120.40 117.51 1dby s VAL 93 Ca 0.56 1.50 -0.14 0.00 -1.81 0.00 0.00 61.98 62.09 1dby s VAL 93 Cb 0.10 -3.69 0.03 0.00 0.56 0.00 0.00 36.38 33.38 1dby s VAL 93 CO 0.06 -0.16 0.65 -2.65 -0.31 0.00 0.00 175.10 172.69 1dby n PRO 94 N -0.33 -0.00 -0.22 4.82 -0.02 -1.26 -4.61 135.00 133.38 1dby n PRO 94 Ca 0.06 0.06 0.02 0.00 -2.02 0.00 0.00 63.50 61.62 1dby n PRO 94 Cb 0.52 -2.00 0.14 0.00 -0.02 0.00 0.00 33.50 32.14 1dby n PRO 94 CO 0.00 0.00 0.00 1.57 1.98 0.00 0.00 175.50 179.05 1dby h LYS 95 N -1.05 0.33 -0.54 -0.52 2.10 -1.99 -0.38 116.57 114.53 1dby h LYS 95 Ca -0.45 -0.02 0.10 0.00 -2.00 0.00 0.00 60.65 58.29 1dby h LYS 95 Cb 1.31 -0.08 -0.08 0.00 -0.90 0.00 0.00 32.23 32.48 1dby h LYS 95 CO 0.40 0.22 0.07 0.00 -2.00 0.00 0.00 179.45 178.14 1dby h ALA 96 N 1.50 0.59 -0.14 0.07 0.00 -1.99 0.20 119.26 119.47 1dby h ALA 96 Ca 0.35 0.14 -0.01 0.00 0.00 0.00 0.00 54.91 55.38 1dby h ALA 96 Cb 0.51 0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 1dby h ALA 96 CO -0.39 -0.34 0.05 1.15 0.00 0.00 0.00 179.25 179.71 1dby h THR 97 N 0.19 1.17 0.15 0.00 2.02 -1.46 -1.47 112.91 113.52 1dby h THR 97 Ca 0.28 -0.53 0.02 0.00 0.77 0.00 0.00 66.41 66.94 1dby h THR 97 Cb 0.42 1.26 -0.04 0.00 -1.74 0.00 0.00 68.15 68.04 1dby h THR 97 CO -0.40 0.16 -0.39 0.40 0.37 0.00 0.00 175.52 175.65 1dby h ILE 98 N 0.06 0.20 -0.08 3.11 2.04 -0.14 0.70 117.51 123.39 1dby h ILE 98 Ca 0.05 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.93 1dby h ILE 98 Cb 0.21 0.20 -0.05 0.00 -0.74 0.00 0.00 36.82 36.43 1dby h ILE 98 CO -0.00 0.00 -0.48 0.58 0.00 0.00 0.00 178.15 178.25 1dby h VAL 99 N -0.65 0.00 -0.59 1.67 2.07 -0.62 0.18 116.25 118.31 1dby h VAL 99 Ca 0.02 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.64 1dby h VAL 99 Cb 0.66 0.00 -0.08 0.00 -1.52 0.00 0.00 31.29 30.36 1dby h VAL 99 CO -0.21 0.00 0.16 1.56 0.02 0.00 0.00 177.57 179.10 1dby h GLN 100 N -0.54 0.30 -0.44 1.57 4.20 -1.06 0.33 115.11 119.46 1dby h GLN 100 Ca 0.02 -0.02 -0.02 0.00 0.06 0.00 0.00 58.65 58.69 1dby h GLN 100 Cb 0.61 -0.07 -0.02 0.00 0.30 0.00 0.00 27.48 28.30 1dby h GLN 100 CO -0.36 0.20 0.18 1.15 -0.67 0.00 0.00 178.83 179.32 1dby h THR 101 N 0.31 1.20 -0.30 -0.54 2.02 -0.25 0.68 112.91 116.03 1dby h THR 101 Ca 0.30 -0.62 -0.01 0.00 0.77 0.00 0.00 66.41 66.85 1dby h THR 101 Cb 0.42 0.79 -0.01 0.00 -1.74 0.00 0.00 68.15 67.60 1dby h THR 101 CO -0.36 0.23 0.15 0.58 0.37 0.00 0.00 175.52 176.49 1dby h VAL 102 N 0.57 1.15 0.10 3.16 2.07 0.14 -0.77 116.25 122.67 1dby h VAL 102 Ca 0.15 -0.42 0.02 0.00 0.82 0.00 0.00 66.70 67.27 1dby h VAL 102 Cb 0.19 0.88 -0.03 0.00 -1.52 0.00 0.00 31.29 30.80 1dby h VAL 102 CO -0.01 0.15 -0.24 -0.33 0.02 0.00 0.00 177.57 177.16 1dby h GLU 103 N 0.35 -0.42 -0.64 1.57 4.39 -0.71 0.48 114.58 119.61 1dby h GLU 103 Ca 0.10 0.03 0.13 0.00 0.34 0.00 0.00 59.36 59.96 1dby h GLU 103 Cb 0.11 0.09 -0.12 0.00 -0.10 0.00 0.00 28.75 28.73 1dby h GLU 103 CO -0.01 -0.28 -0.14 -0.22 -1.16 0.00 0.00 179.01 177.20 1dby h LYS 104 N -0.43 0.01 -0.02 2.33 3.64 -0.68 -1.33 116.57 120.10 1dby h LYS 104 Ca 0.03 -0.00 -0.15 0.00 -1.27 0.00 0.00 60.65 59.27 1dby h LYS 104 Cb 0.46 -0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.26 1dby h LYS 104 CO -0.15 0.01 -0.67 1.88 -2.27 0.00 0.00 179.45 178.24 1dby h TYR 105 N 0.01 0.10 -1.49 1.91 0.05 -0.47 -3.43 116.97 113.65 1dby h TYR 105 Ca 0.31 -0.04 -0.09 0.00 0.05 0.00 0.00 58.73 58.95 1dby h TYR 105 Cb 0.48 -0.02 -0.26 0.00 1.01 0.00 0.00 36.73 37.95 1dby h TYR 105 CO -0.51 0.73 -0.45 -0.51 -1.05 0.00 0.00 178.16 176.37 1dby s LEU 106 N -7.59 -1.03 0.00 3.88 1.43 0.16 -5.06 118.68 110.47 1dby s LEU 106 Ca -0.02 0.04 0.00 0.00 -1.03 0.00 0.00 54.13 53.12 1dby s LEU 106 Cb 0.12 1.46 0.00 0.00 0.03 0.00 0.00 46.19 47.80 1dby s LEU 106 CO 0.78 -0.32 0.00 -3.20 0.23 0.00 0.00 176.35 173.84