#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dby n GLU 2 N 0.00 0.46 -1.74 2.12 0.00 -1.26 -3.76 120.64 116.47 1dby n GLU 2 Ca 0.00 0.16 -0.32 0.00 0.00 0.00 0.00 57.16 57.01 1dby n GLU 2 Cb 0.00 -1.53 0.04 0.00 0.00 0.00 0.00 31.44 29.95 1dby n GLU 2 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1dby s ALA 3 N -0.34 2.67 0.00 -1.84 0.00 -1.26 -4.51 121.76 116.49 1dby s ALA 3 Ca 0.77 0.22 0.00 0.00 0.00 0.00 0.00 51.96 52.95 1dby s ALA 3 Cb -1.01 -3.20 0.00 0.00 0.00 0.00 0.00 23.12 18.90 1dby s ALA 3 CO 0.55 -1.10 0.00 0.41 0.00 0.00 0.00 175.76 175.62 1dby n GLY 4 N -1.53 4.79 3.07 0.00 0.00 0.05 -4.97 105.19 106.60 1dby n GLY 4 Ca 0.08 -2.07 -0.16 0.00 0.00 0.00 0.00 46.02 43.88 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 -2.00 0.75 0.20 4.61 0.00 -1.26 -2.42 121.76 121.64 1dby s ALA 5 Ca 0.00 -0.70 0.00 0.00 0.00 0.00 0.00 51.96 51.26 1dby s ALA 5 Cb 0.00 -0.06 -0.04 0.00 0.00 0.00 0.00 23.12 23.02 1dby s ALA 5 CO 0.00 0.08 0.08 0.14 0.00 0.00 0.00 175.76 176.07 1dby s VAL 6 N -0.99 0.29 0.23 0.00 -7.23 -0.04 -4.83 120.40 107.83 1dby s VAL 6 Ca -0.04 -1.98 0.00 0.00 -1.81 0.00 0.00 61.98 58.15 1dby s VAL 6 Cb -0.08 -2.39 -0.04 0.00 0.56 0.00 0.00 36.38 34.43 1dby s VAL 6 CO 0.01 -0.17 0.12 0.21 -0.31 0.00 0.00 175.10 174.95 1dby s ASN 7 N -3.18 0.70 0.27 4.85 3.84 -1.26 -3.37 114.94 116.78 1dby s ASN 7 Ca 0.33 -1.40 -0.10 0.00 0.21 0.00 0.00 52.86 51.90 1dby s ASN 7 Cb 0.07 0.29 0.42 0.00 -0.55 0.00 0.00 41.25 41.48 1dby s ASN 7 CO 0.09 -0.80 1.55 -0.67 -2.79 0.00 0.00 177.10 174.49 1dby n ASP 8 N -0.41 -0.41 0.00 -4.21 -0.08 -1.26 -0.31 116.55 109.87 1dby n ASP 8 Ca 0.01 1.72 0.00 0.00 -1.51 0.00 0.00 54.79 55.01 1dby n ASP 8 Cb 0.66 -0.50 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 -5.59 0.00 -0.26 1.67 2.03 -1.26 -3.69 116.55 109.44 1dby n ASP 9 Ca 0.15 0.83 0.15 0.00 0.52 0.00 0.00 54.79 56.44 1dby n ASP 9 Cb 0.48 -0.33 0.44 0.00 -0.72 0.00 0.00 41.12 40.99 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 0.74 -1.00 5.18 1.35 -1.87 -1.55 112.91 115.77 1dby h THR 10 Ca 0.00 -0.19 0.28 0.00 -0.55 0.00 0.00 66.41 65.95 1dby h THR 10 Cb 0.00 0.13 -0.19 0.00 -1.73 0.00 0.00 68.15 66.37 1dby h THR 10 CO 0.00 0.10 0.05 0.15 -0.25 0.00 0.00 175.52 175.57 1dby h PHE 11 N 0.56 -0.01 -0.01 4.73 3.57 -0.74 0.17 116.94 125.21 1dby h PHE 11 Ca 0.47 0.07 0.02 0.00 3.53 0.00 0.00 57.97 62.06 1dby h PHE 11 Cb 0.95 0.17 -0.04 0.00 2.79 0.00 0.00 35.95 39.82 1dby h PHE 11 CO -0.00 -0.45 -0.41 0.87 -2.23 0.00 0.00 178.31 176.09 1dby h LYS 12 N 0.00 -0.49 -0.29 1.11 1.57 -1.38 0.34 116.57 117.44 1dby h LYS 12 Ca 0.62 0.03 -0.19 0.00 -1.87 0.00 0.00 60.65 59.25 1dby h LYS 12 Cb 1.31 0.11 0.00 0.00 0.08 0.00 0.00 32.23 33.73 1dby h LYS 12 CO -0.93 -0.32 -0.55 -0.91 -0.57 0.00 0.00 179.45 176.16 1dby h ASN 13 N -0.50 0.97 0.20 0.86 -0.26 -1.28 0.10 115.58 115.68 1dby h ASN 13 Ca 0.01 -0.52 -0.35 0.00 -0.56 0.00 0.00 56.30 54.87 1dby h ASN 13 Cb 0.54 -0.28 0.02 0.00 -1.06 0.00 0.00 38.32 37.54 1dby h ASN 13 CO -0.28 1.33 -1.70 0.58 -1.06 0.00 0.00 177.43 176.30 1dby h VAL 14 N 0.67 1.01 0.00 2.81 2.07 -0.69 -3.34 116.25 118.77 1dby h VAL 14 Ca 0.01 -2.55 0.00 0.00 0.82 0.00 0.00 66.70 64.98 1dby h VAL 14 Cb 1.16 2.83 0.00 0.00 -1.52 0.00 0.00 31.29 33.76 1dby h VAL 14 CO 0.12 0.85 -0.94 0.52 0.02 0.00 0.00 177.57 178.15 1dby n VAL 15 N -3.62 1.46 0.07 2.57 0.31 0.11 -4.52 118.33 114.70 1dby n VAL 15 Ca -0.23 0.16 -0.03 0.00 -0.01 0.00 0.00 64.34 64.23 1dby n VAL 15 Cb 1.08 -2.30 -0.01 0.00 -0.91 0.00 0.00 33.84 31.70 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 -0.94 -0.16 -2.55 7.52 3.38 -1.08 -3.29 115.31 118.19 1dby h LEU 16 Ca 0.00 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1dby h LEU 16 Cb 0.94 0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.73 1dby h LEU 16 CO 0.00 -0.09 0.00 -0.62 0.09 0.00 0.00 178.44 177.82 1dby n GLU 17 N -2.64 0.90 -3.40 1.13 1.02 0.33 0.18 120.64 118.16 1dby n GLU 17 Ca -0.02 0.00 -0.36 0.00 -0.02 0.00 0.00 57.16 56.76 1dby n GLU 17 Cb 0.07 -1.05 -0.06 0.00 -0.02 0.00 0.00 31.44 30.39 1dby n GLU 17 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1dby s SER 18 N 1.50 6.83 -0.08 1.62 0.15 -1.24 -4.86 113.70 117.61 1dby s SER 18 Ca 0.00 1.04 -0.02 0.00 0.70 0.00 0.00 55.95 57.67 1dby s SER 18 Cb 0.00 -2.27 -0.01 0.00 -1.71 0.00 0.00 66.02 62.03 1dby s SER 18 CO 0.00 0.17 0.07 0.77 1.20 0.00 0.00 173.24 175.45 1dby h SER 19 N 3.90 -0.05 -4.23 5.45 4.64 -1.93 0.04 113.55 121.37 1dby h SER 19 Ca -0.49 0.00 -0.48 0.00 -0.47 0.00 0.00 61.79 60.34 1dby h SER 19 Cb 1.20 0.01 0.04 0.00 -0.31 0.00 0.00 62.40 63.34 1dby h SER 19 CO 0.65 0.40 0.38 0.68 -0.87 0.00 0.00 176.83 178.07 1dby s VAL 20 N -1.70 4.41 0.95 0.95 -7.23 -1.26 -4.10 120.40 112.42 1dby s VAL 20 Ca -0.01 1.06 -0.12 0.00 -1.81 0.00 0.00 61.98 61.11 1dby s VAL 20 Cb 0.00 -3.67 0.10 0.00 0.56 0.00 0.00 36.38 33.37 1dby s VAL 20 CO 0.03 -0.75 0.78 -2.65 -0.31 0.00 0.00 175.10 172.20 1dby n PRO 21 N -1.96 -0.48 -3.65 4.82 -0.02 -1.25 -4.70 135.00 127.75 1dby n PRO 21 Ca 0.07 -0.09 -0.19 0.00 -2.02 0.00 0.00 63.50 61.27 1dby n PRO 21 Cb 0.54 -2.12 -0.16 0.00 -0.02 0.00 0.00 33.50 31.73 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 -2.51 -0.21 -0.95 -1.45 1.01 0.92 -0.69 120.40 116.52 1dby s VAL 22 Ca 0.62 0.31 -0.16 0.00 0.00 0.00 0.00 61.98 62.75 1dby s VAL 22 Cb -0.22 -0.30 0.17 0.00 0.00 0.00 0.00 36.38 36.04 1dby s VAL 22 CO 0.63 0.10 1.06 -0.22 0.00 0.00 0.00 175.10 176.67 1dby s LEU 23 N 2.25 5.66 -0.09 3.92 0.20 0.42 -0.61 118.68 130.42 1dby s LEU 23 Ca 0.04 -2.48 -0.16 0.00 0.69 0.00 0.00 54.13 52.22 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 -0.06 -0.82 0.42 0.54 -0.29 0.00 0.00 176.35 176.14 1dby s VAL 24 N 1.49 5.16 -0.23 1.68 0.11 -0.00 -0.21 120.40 128.40 1dby s VAL 24 Ca 0.29 0.83 -0.06 0.00 -2.93 0.00 0.00 61.98 60.11 1dby s VAL 24 Cb -0.06 -3.74 -0.02 0.00 -1.53 0.00 0.00 36.38 31.02 1dby s VAL 24 CO -0.08 0.42 0.04 -0.62 -3.33 0.00 0.00 175.10 171.53 1dby s ASP 25 N 0.04 4.95 -0.51 3.54 2.15 0.55 -0.55 116.67 126.83 1dby s ASP 25 Ca 0.23 -0.22 -0.29 0.00 0.43 0.00 0.00 52.55 52.70 1dby s ASP 25 Cb -0.15 -1.87 0.03 0.00 -0.30 0.00 0.00 42.92 40.63 1dby s ASP 25 CO 0.10 -0.00 1.17 -0.36 -0.17 0.00 0.00 175.17 175.91 1dby s PHE 26 N 1.40 2.72 0.19 -5.34 0.40 0.25 -0.62 117.98 116.98 1dby s PHE 26 Ca 0.05 0.61 0.00 0.00 -0.60 0.00 0.00 56.93 56.99 1dby s PHE 26 Cb -0.15 -4.47 -0.00 0.00 0.51 0.00 0.00 43.02 38.91 1dby s PHE 26 CO 0.02 -1.41 0.02 -2.67 0.70 0.00 0.00 175.22 171.87 1dby n TRP 27 N 8.11 0.33 -3.53 0.36 4.27 -0.08 -3.10 117.44 123.79 1dby n TRP 27 Ca 0.11 -0.99 -0.12 0.00 -3.89 0.00 0.00 57.50 52.61 1dby n TRP 27 Cb 0.49 -0.09 -0.05 0.00 -1.36 0.00 0.00 31.31 30.30 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 -2.37 -1.84 0.06 -1.67 0.00 -1.26 -0.45 121.76 114.24 1dby s ALA 28 Ca 0.03 1.32 -0.18 0.00 0.00 0.00 0.00 51.96 53.12 1dby s ALA 28 Cb 0.00 -0.17 -0.12 0.00 0.00 0.00 0.00 23.12 22.84 1dby s ALA 28 CO 0.02 -0.43 1.39 -1.00 0.00 0.00 0.00 175.76 175.73 1dby h PRO 29 N 2.55 0.48 -0.03 0.00 0.13 -2.01 -1.87 132.00 131.26 1dby h PRO 29 Ca -0.23 -0.24 0.01 0.00 -0.87 0.00 0.00 66.00 64.67 1dby h PRO 29 Cb 1.18 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.31 1dby h PRO 29 CO 0.34 0.81 0.20 0.11 -0.23 0.00 0.00 178.00 179.23 1dby h TRP 30 N 0.17 0.00 -0.88 1.56 5.08 -2.04 -3.36 115.95 116.48 1dby h TRP 30 Ca 0.04 0.00 -0.56 0.00 1.08 0.00 0.00 58.89 59.45 1dby h TRP 30 Cb 0.71 0.00 -0.08 0.00 -3.00 0.00 0.00 29.16 26.79 1dby h TRP 30 CO 0.08 0.00 1.63 0.00 -1.28 0.00 0.00 178.44 178.86 1dby n GLY 32 N 6.16 -2.29 0.32 0.00 0.00 -1.26 -0.22 105.19 107.91 1dby n GLY 32 Ca 0.42 1.11 0.16 0.00 0.00 0.00 0.00 46.02 47.71 1dby n GLY 32 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1dby h PRO 33 N 0.00 0.00 0.01 1.61 0.13 -1.94 -0.88 132.00 130.93 1dby h PRO 33 Ca 0.21 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.34 1dby h PRO 33 Cb 0.45 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.58 1dby h PRO 33 CO -0.91 0.00 -0.00 0.00 -0.23 0.00 0.00 178.00 176.86 1dby h ARG 35 N -0.87 -0.05 -0.69 0.00 2.43 0.13 -0.53 114.38 114.79 1dby h ARG 35 Ca -0.00 0.00 -0.07 0.00 -0.81 0.00 0.00 59.98 59.10 1dby h ARG 35 Cb 0.81 0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 30.35 1dby h ARG 35 CO 0.00 -0.03 0.14 -0.84 -1.51 0.00 0.00 179.97 177.74 1dby h ILE 36 N -0.05 1.26 0.00 1.20 3.07 -1.35 -2.90 117.51 118.75 1dby h ILE 36 Ca 0.24 -1.00 -0.12 0.00 1.55 0.00 0.00 64.86 65.53 1dby h ILE 36 Cb 0.42 0.57 -0.02 0.00 -0.27 0.00 0.00 36.82 37.52 1dby h ILE 36 CO -0.55 0.38 -0.56 0.16 -1.05 0.00 0.00 178.15 176.53 1dby h ILE 37 N 1.06 1.07 -0.97 0.16 3.07 -1.48 -3.38 117.51 117.03 1dby h ILE 37 Ca 0.22 -2.21 0.23 0.00 1.55 0.00 0.00 64.86 64.64 1dby h ILE 37 Cb 0.40 2.32 -0.18 0.00 -0.27 0.00 0.00 36.82 39.09 1dby h ILE 37 CO 0.01 0.55 -0.12 0.00 -1.05 0.00 0.00 178.15 177.53 1dby n ALA 38 N -2.29 0.35 -0.22 0.16 0.00 -0.26 0.31 120.51 118.57 1dby n ALA 38 Ca 0.01 1.06 -0.02 0.00 0.00 0.00 0.00 53.44 54.48 1dby n ALA 38 Cb 0.69 -0.70 0.18 0.00 0.00 0.00 0.00 19.45 19.62 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 1.01 -0.27 0.00 0.11 -1.76 -1.39 132.00 129.70 1dby h PRO 39 Ca 0.52 -0.13 -0.19 0.00 0.11 0.00 0.00 66.00 66.31 1dby h PRO 39 Cb 0.94 -0.19 0.00 0.00 0.11 0.00 0.00 31.00 31.86 1dby h PRO 39 CO -0.96 0.77 -0.58 0.28 -0.21 0.00 0.00 178.00 177.30 1dby h VAL 40 N 1.00 1.28 -0.96 3.15 2.07 -0.40 -0.21 116.25 122.17 1dby h VAL 40 Ca 0.25 -1.77 0.15 0.00 0.82 0.00 0.00 66.70 66.15 1dby h VAL 40 Cb 0.09 1.68 -0.10 0.00 -1.52 0.00 0.00 31.29 31.44 1dby h VAL 40 CO -0.03 0.57 0.57 0.58 0.02 0.00 0.00 177.57 179.28 1dby h VAL 41 N 0.65 0.79 0.52 2.57 2.07 -0.06 0.13 116.25 122.92 1dby h VAL 41 Ca 0.01 -0.28 -0.03 0.00 0.82 0.00 0.00 66.70 67.22 1dby h VAL 41 Cb 1.19 -0.09 0.01 0.00 -1.52 0.00 0.00 31.29 30.87 1dby h VAL 41 CO 0.13 0.15 -0.25 0.44 0.02 0.00 0.00 177.57 178.05 1dby h ASP 42 N 0.81 -0.59 -0.33 0.57 3.32 -0.99 -3.07 116.42 116.13 1dby h ASP 42 Ca 0.52 -0.04 0.03 0.00 0.02 0.00 0.00 57.03 57.56 1dby h ASP 42 Cb 0.68 0.15 -0.03 0.00 0.22 0.00 0.00 39.33 40.35 1dby h ASP 42 CO -0.33 -0.20 0.13 1.05 -1.72 0.00 0.00 179.24 178.18 1dby h GLU 43 N -1.10 0.28 -0.90 3.56 4.11 -0.37 -0.94 114.58 119.21 1dby h GLU 43 Ca -0.07 -0.02 0.07 0.00 0.07 0.00 0.00 59.36 59.42 1dby h GLU 43 Cb 0.60 -0.06 -0.06 0.00 0.50 0.00 0.00 28.75 29.72 1dby h GLU 43 CO 0.12 0.19 0.59 0.82 0.07 0.00 0.00 179.01 180.79 1dby h ILE 44 N 0.29 1.04 -0.61 -1.06 1.08 -0.91 0.17 117.51 117.51 1dby h ILE 44 Ca 0.15 -0.34 -0.01 0.00 -0.39 0.00 0.00 64.86 64.27 1dby h ILE 44 Cb 0.10 -0.04 -0.03 0.00 -3.07 0.00 0.00 36.82 33.78 1dby h ILE 44 CO -0.13 0.18 0.35 0.00 -0.69 0.00 0.00 178.15 177.86 1dby h ALA 45 N 1.52 0.78 -0.21 1.87 0.00 -1.12 -1.01 119.26 121.09 1dby h ALA 45 Ca 0.40 -0.09 0.05 0.00 0.00 0.00 0.00 54.91 55.27 1dby h ALA 45 Cb 0.26 -0.25 -0.05 0.00 0.00 0.00 0.00 17.79 17.76 1dby h ALA 45 CO -0.16 0.28 -0.08 0.78 0.00 0.00 0.00 179.25 180.07 1dby h GLY 46 N 0.83 0.11 0.23 0.00 0.00 0.43 0.22 103.07 104.89 1dby h GLY 46 Ca 0.22 0.11 0.05 0.00 0.00 0.00 0.00 47.33 47.71 1dby h GLY 46 CO -0.04 -0.11 -0.24 0.83 0.00 0.00 0.00 176.54 176.98 1dby h GLU 47 N -0.05 -0.27 -2.11 4.80 5.08 -0.31 -2.66 114.58 119.06 1dby h GLU 47 Ca 0.11 0.02 -0.30 0.00 -1.00 0.00 0.00 59.36 58.19 1dby h GLU 47 Cb 0.22 0.06 -0.08 0.00 0.50 0.00 0.00 28.75 29.45 1dby h GLU 47 CO -0.25 -0.18 0.21 0.66 -1.00 0.00 0.00 179.01 178.45 1dby n TYR 48 N -5.37 0.56 0.00 4.33 4.01 -0.43 -4.75 117.16 115.51 1dby n TYR 48 Ca -0.02 -1.76 0.00 0.00 -0.16 0.00 0.00 57.90 55.96 1dby n TYR 48 Cb 0.29 -1.65 0.00 0.00 -0.31 0.00 0.00 39.34 37.66 1dby n TYR 48 CO 0.00 0.00 0.00 1.17 -0.46 0.00 0.00 176.86 177.57 1dby n LYS 49 N 2.30 0.00 0.17 -0.72 0.00 -1.00 0.08 118.16 118.99 1dby n LYS 49 Ca 0.48 0.75 -0.14 0.00 0.00 0.00 0.00 58.31 59.40 1dby n LYS 49 Cb 0.78 -1.29 -0.07 0.00 0.00 0.00 0.00 35.03 34.45 1dby n LYS 49 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.40 177.62 1dby h ASP 50 N 0.00 -0.65 0.13 3.14 3.58 -1.89 0.19 116.42 120.92 1dby h ASP 50 Ca 0.00 0.06 -0.29 0.00 0.42 0.00 0.00 57.03 57.22 1dby h ASP 50 Cb 0.00 0.22 0.03 0.00 1.72 0.00 0.00 39.33 41.30 1dby h ASP 50 CO 0.00 -0.36 -1.22 0.07 -2.88 0.00 0.00 179.24 174.85 1dby h LYS 51 N -0.52 0.59 -4.18 0.28 2.10 -1.97 -3.45 116.57 109.42 1dby h LYS 51 Ca -0.01 -0.81 -0.45 0.00 -2.00 0.00 0.00 60.65 57.38 1dby h LYS 51 Cb 0.48 0.27 -0.34 0.00 -0.90 0.00 0.00 32.23 31.74 1dby h LYS 51 CO -0.05 1.37 -0.79 -1.17 -2.00 0.00 0.00 179.45 176.81 1dby s LEU 52 N -7.87 1.37 0.62 7.07 2.96 -1.12 -3.92 118.68 117.80 1dby s LEU 52 Ca -0.10 -0.19 -0.09 0.00 -0.22 0.00 0.00 54.13 53.53 1dby s LEU 52 Cb 0.05 -0.59 -0.00 0.00 0.50 0.00 0.00 46.19 46.14 1dby s LEU 52 CO 0.92 -0.04 0.98 -0.75 -1.32 0.00 0.00 176.35 176.14 1dby s LYS 53 N 0.96 3.11 -0.01 1.98 2.47 0.13 0.47 119.74 128.86 1dby s LYS 53 Ca -0.10 0.32 -0.04 0.00 -1.56 0.00 0.00 55.97 54.59 1dby s LYS 53 Cb -0.15 -2.17 -0.00 0.00 -1.46 0.00 0.00 37.83 34.06 1dby s LYS 53 CO 0.00 -0.72 0.08 0.00 0.16 0.00 0.00 175.35 174.87 1dby s VAL 55 N -0.80 0.02 -0.15 0.00 1.01 0.71 -0.77 120.40 120.41 1dby s VAL 55 Ca -0.09 -1.37 -0.04 0.00 0.00 0.00 0.00 61.98 60.48 1dby s VAL 55 Cb -0.05 -2.08 0.05 0.00 0.00 0.00 0.00 36.38 34.30 1dby s VAL 55 CO 0.00 -0.07 0.06 -0.54 0.00 0.00 0.00 175.10 174.55 1dby s LYS 56 N -4.00 0.28 -0.27 2.72 1.02 -1.02 -0.33 119.74 118.14 1dby s LYS 56 Ca 0.21 -0.10 -0.13 0.00 0.02 0.00 0.00 55.97 55.97 1dby s LYS 56 Cb 0.01 -1.65 -0.04 0.00 -0.52 0.00 0.00 37.83 35.62 1dby s LYS 56 CO 0.06 -0.58 0.26 -1.17 -0.92 0.00 0.00 175.35 173.01 1dby s LEU 57 N 2.04 4.04 -0.39 3.17 2.96 0.21 -0.86 118.68 129.84 1dby s LEU 57 Ca 0.02 0.13 -0.29 0.00 -0.22 0.00 0.00 54.13 53.77 1dby s LEU 57 Cb -0.15 -2.25 0.00 0.00 0.50 0.00 0.00 46.19 44.29 1dby s LEU 57 CO -0.07 -0.09 1.51 0.21 -1.32 0.00 0.00 176.35 176.58 1dby s ASN 58 N 1.65 6.22 0.25 3.68 3.84 -1.22 -0.90 114.94 128.47 1dby s ASN 58 Ca 0.10 0.94 -0.00 0.00 0.21 0.00 0.00 52.86 54.12 1dby s ASN 58 Cb -0.16 -2.54 0.32 0.00 -0.55 0.00 0.00 41.25 38.33 1dby s ASN 58 CO 0.10 -1.50 1.68 0.74 -2.79 0.00 0.00 177.10 175.33 1dby h THR 59 N 6.55 1.27 -0.64 -5.21 2.02 -1.05 0.23 112.91 116.08 1dby h THR 59 Ca -0.29 -1.30 -0.09 0.00 0.77 0.00 0.00 66.41 65.51 1dby h THR 59 Cb 1.12 1.29 -0.02 0.00 -1.74 0.00 0.00 68.15 68.80 1dby h THR 59 CO 1.07 0.42 0.06 -0.78 0.37 0.00 0.00 175.52 176.67 1dby h ASP 60 N 0.53 1.04 0.73 4.18 1.82 -1.90 -1.56 116.42 121.26 1dby h ASP 60 Ca 0.08 -0.27 -0.26 0.00 -0.39 0.00 0.00 57.03 56.19 1dby h ASP 60 Cb 0.69 -0.28 -0.01 0.00 0.68 0.00 0.00 39.33 40.42 1dby h ASP 60 CO 0.05 1.06 -1.19 -0.08 -1.61 0.00 0.00 179.24 177.47 1dby h GLU 61 N 1.00 0.19 -1.93 0.28 4.81 -1.88 -3.38 114.58 113.68 1dby h GLU 61 Ca 0.19 -0.33 -0.58 0.00 -0.13 0.00 0.00 59.36 58.51 1dby h GLU 61 Cb 0.48 0.12 -0.42 0.00 0.63 0.00 0.00 28.75 29.57 1dby h GLU 61 CO 0.02 1.15 -0.70 0.45 -0.73 0.00 0.00 179.01 179.20 1dby n SER 62 N -3.47 4.44 0.27 1.04 2.88 0.78 -4.85 113.62 114.70 1dby n SER 62 Ca -0.06 -3.67 0.13 0.00 -1.33 0.00 0.00 58.87 53.94 1dby n SER 62 Cb 1.00 -0.52 0.75 0.00 -0.75 0.00 0.00 64.21 64.70 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 2.81 0.00 0.11 -1.46 0.13 -1.47 -3.01 132.00 129.10 1dby h PRO 63 Ca 0.20 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.32 1dby h PRO 63 Cb 0.70 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.83 1dby h PRO 63 CO 0.82 0.10 -0.13 -0.91 -0.23 0.00 0.00 178.00 177.65 1dby h ASN 64 N 0.00 -0.36 -0.27 1.44 2.35 -1.89 0.21 115.58 117.07 1dby h ASN 64 Ca -0.00 0.03 0.06 0.00 -0.55 0.00 0.00 56.30 55.84 1dby h ASN 64 Cb 0.30 0.12 -0.06 0.00 0.05 0.00 0.00 38.32 38.73 1dby h ASN 64 CO 0.01 -0.16 -0.13 0.58 -1.65 0.00 0.00 177.43 176.08 1dby h VAL 65 N -0.24 0.59 -0.65 2.81 2.07 -1.96 -0.33 116.25 118.54 1dby h VAL 65 Ca -0.01 0.00 0.14 0.00 0.82 0.00 0.00 66.70 67.65 1dby h VAL 65 Cb 0.21 0.59 -0.11 0.00 -1.52 0.00 0.00 31.29 30.46 1dby h VAL 65 CO -0.03 0.00 -0.01 0.00 0.02 0.00 0.00 177.57 177.55 1dby h ALA 66 N 1.11 0.64 -0.20 1.67 0.00 -1.41 0.67 119.26 121.74 1dby h ALA 66 Ca 0.14 0.21 -0.03 0.00 0.00 0.00 0.00 54.91 55.22 1dby h ALA 66 Cb 0.31 0.36 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 1dby h ALA 66 CO -0.33 -0.40 -0.01 0.77 0.00 0.00 0.00 179.25 179.28 1dby h SER 67 N 0.11 0.36 -0.58 0.00 0.02 0.38 0.22 113.55 114.06 1dby h SER 67 Ca 0.34 -0.32 0.07 0.00 -0.84 0.00 0.00 61.79 61.04 1dby h SER 67 Cb 0.57 -0.10 -0.06 0.00 0.14 0.00 0.00 62.40 62.95 1dby h SER 67 CO -0.57 0.59 0.26 -0.33 -1.14 0.00 0.00 176.83 175.64 1dby h GLU 68 N 0.11 0.47 0.03 3.45 5.08 -0.09 -2.53 114.58 121.10 1dby h GLU 68 Ca 0.06 -0.03 -0.22 0.00 -1.00 0.00 0.00 59.36 58.17 1dby h GLU 68 Cb 0.41 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.54 1dby h GLU 68 CO 0.01 0.31 -1.02 1.88 -1.00 0.00 0.00 179.01 179.19 1dby h TYR 69 N 0.48 0.12 -0.24 4.33 0.05 -0.87 -3.48 116.97 117.36 1dby h TYR 69 Ca 0.27 -0.08 0.00 0.00 0.05 0.00 0.00 58.73 58.97 1dby h TYR 69 Cb 0.26 -0.01 0.00 0.00 1.01 0.00 0.00 36.73 37.99 1dby h TYR 69 CO -0.13 1.04 0.00 0.41 -1.05 0.00 0.00 178.16 178.43 1dby n GLY 70 N 1.31 0.79 3.56 3.88 0.00 0.53 -5.01 105.19 110.26 1dby n GLY 70 Ca -0.02 -0.10 -0.32 0.00 0.00 0.00 0.00 46.02 45.57 1dby n GLY 70 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1dby s ILE 71 N -1.84 3.61 -0.27 -0.61 -1.09 0.15 -4.78 121.20 116.36 1dby s ILE 71 Ca 0.00 -0.46 0.25 0.00 -2.23 0.00 0.00 60.65 58.21 1dby s ILE 71 Cb 0.00 -4.39 0.33 0.00 -1.58 0.00 0.00 42.46 36.82 1dby s ILE 71 CO 0.00 -1.31 1.69 -0.09 -1.23 0.00 0.00 174.94 174.00 1dby h ARG 72 N 10.89 0.00 -3.27 2.79 2.43 -1.95 -3.46 114.38 121.82 1dby h ARG 72 Ca 0.11 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.27 1dby h ARG 72 Cb 1.01 0.00 -0.10 0.00 -0.42 0.00 0.00 29.97 30.47 1dby h ARG 72 CO 1.29 0.05 0.05 -1.12 -1.51 0.00 0.00 179.97 178.73 1dby s SER 73 N -6.11 -0.27 0.11 -3.80 0.01 -1.26 -5.18 113.70 97.19 1dby s SER 73 Ca 0.05 -0.48 0.06 0.00 1.31 0.00 0.00 55.95 56.89 1dby s SER 73 Cb 0.06 0.59 -0.04 0.00 0.21 0.00 0.00 66.02 66.85 1dby s SER 73 CO 0.65 -1.08 -0.14 0.27 0.41 0.00 0.00 173.24 173.35 1dby s ILE 74 N -3.87 1.26 0.94 1.44 -4.36 -1.26 -4.51 121.20 110.83 1dby s ILE 74 Ca 0.09 -1.61 -0.12 0.00 -0.26 0.00 0.00 60.65 58.76 1dby s ILE 74 Cb -0.01 -1.41 0.15 0.00 1.25 0.00 0.00 42.46 42.44 1dby s ILE 74 CO -0.02 -0.37 1.09 -2.16 0.24 0.00 0.00 174.94 173.71 1dby s PRO 75 N -2.44 0.91 -0.27 0.37 0.04 -1.26 -4.62 135.00 127.73 1dby s PRO 75 Ca 0.06 0.87 -0.04 0.00 0.04 0.00 0.00 61.00 61.93 1dby s PRO 75 Cb -0.06 -1.76 0.15 0.00 0.04 0.00 0.00 34.50 32.86 1dby s PRO 75 CO 0.03 -2.49 0.53 0.99 0.04 0.00 0.00 177.00 176.09 1dby s THR 76 N -2.85 -0.85 -0.34 1.26 2.01 -1.18 -0.91 115.64 112.78 1dby s THR 76 Ca 0.64 0.01 -0.12 0.00 0.31 0.00 0.00 61.69 62.53 1dby s THR 76 Cb -0.19 -0.91 -0.01 0.00 0.01 0.00 0.00 72.50 71.40 1dby s THR 76 CO 0.58 -0.02 0.23 -0.63 -0.69 0.00 0.00 174.62 174.09 1dby s ILE 77 N 2.76 5.16 -0.10 1.82 1.09 0.74 -0.58 121.20 132.09 1dby s ILE 77 Ca 0.10 -0.26 -0.00 0.00 -1.10 0.00 0.00 60.65 59.39 1dby s ILE 77 Cb -0.14 -3.65 -0.02 0.00 -1.06 0.00 0.00 42.46 37.58 1dby s ILE 77 CO -0.18 -0.00 -0.09 -0.04 -0.10 0.00 0.00 174.94 174.53 1dby s MET 78 N 1.70 3.11 -0.32 2.79 -1.94 0.28 -0.38 119.30 124.55 1dby s MET 78 Ca 0.06 -0.60 -0.11 0.00 -1.71 0.00 0.00 55.69 53.33 1dby s MET 78 Cb -0.17 -2.65 -0.01 0.00 2.01 0.00 0.00 34.83 34.00 1dby s MET 78 CO 0.10 0.44 0.19 0.08 -0.01 0.00 0.00 175.02 175.81 1dby s VAL 79 N -0.20 4.88 0.30 -6.03 1.01 -0.31 -0.82 120.40 119.23 1dby s VAL 79 Ca 0.02 -0.32 0.09 0.00 0.00 0.00 0.00 61.98 61.77 1dby s VAL 79 Cb -0.13 -3.48 -0.04 0.00 0.00 0.00 0.00 36.38 32.72 1dby s VAL 79 CO 0.03 0.05 0.08 -0.36 0.00 0.00 0.00 175.10 174.90 1dby s PHE 80 N 1.66 2.73 -0.09 5.22 0.40 0.21 -0.07 117.98 128.04 1dby s PHE 80 Ca 0.05 -0.29 -0.30 0.00 -0.60 0.00 0.00 56.93 55.79 1dby s PHE 80 Cb -0.17 -1.43 0.10 0.00 0.51 0.00 0.00 43.02 42.04 1dby s PHE 80 CO 0.08 0.48 0.87 -1.59 0.70 0.00 0.00 175.22 175.75 1dby s LYS 81 N -3.77 0.80 -1.57 0.44 0.00 0.02 -0.05 119.74 115.61 1dby s LYS 81 Ca 0.35 0.11 -0.09 0.00 0.00 0.00 0.00 55.97 56.34 1dby s LYS 81 Cb -0.05 0.37 0.07 0.00 0.00 0.00 0.00 37.83 38.23 1dby s LYS 81 CO 0.22 -0.27 0.51 0.41 0.00 0.00 0.00 175.35 176.22 1dby n GLY 82 N 0.63 -0.30 3.22 0.59 0.00 0.00 -0.60 105.19 108.73 1dby n GLY 82 Ca -0.13 0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.03 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 -1.80 0.74 3.28 -0.02 0.00 0.13 -4.99 105.19 102.53 1dby n GLY 83 Ca -0.14 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.25 1.13 0.03 1.61 -0.14 0.24 -4.91 119.74 117.44 1dby s LYS 84 Ca 0.00 -1.46 -0.18 0.00 -1.36 0.00 0.00 55.97 52.96 1dby s LYS 84 Cb 0.00 -0.79 -0.06 0.00 -1.68 0.00 0.00 37.83 35.30 1dby s LYS 84 CO 0.00 0.12 0.52 0.21 -0.76 0.00 0.00 175.35 175.44 1dby s LYS 85 N -3.59 4.15 0.00 1.68 2.20 -1.26 -0.80 119.74 122.12 1dby s LYS 85 Ca 0.17 0.63 0.00 0.00 -0.36 0.00 0.00 55.97 56.41 1dby s LYS 85 Cb 0.01 -3.26 0.00 0.00 -1.51 0.00 0.00 37.83 33.07 1dby s LYS 85 CO 0.03 0.58 0.00 0.00 -0.36 0.00 0.00 175.35 175.60 1dby s GLU 87 N 0.00 3.15 -0.26 0.00 0.41 -1.00 -4.91 118.70 116.09 1dby s GLU 87 Ca 0.00 -0.40 -0.10 0.00 -0.41 0.00 0.00 54.97 54.06 1dby s GLU 87 Cb 0.00 -2.55 0.11 0.00 -1.78 0.00 0.00 34.13 29.91 1dby s GLU 87 CO 0.00 -0.22 0.58 0.99 -0.49 0.00 0.00 175.26 176.12 1dby s THR 88 N -2.55 -0.66 -0.05 3.63 2.01 -1.26 -1.16 115.64 115.60 1dby s THR 88 Ca 0.47 0.05 0.06 0.00 0.31 0.00 0.00 61.69 62.58 1dby s THR 88 Cb -0.10 -0.89 -0.02 0.00 0.01 0.00 0.00 72.50 71.50 1dby s THR 88 CO 0.38 0.02 -0.23 -0.63 -0.69 0.00 0.00 174.62 173.47 1dby s ILE 89 N 2.48 2.24 0.02 1.82 1.01 0.49 -4.99 121.20 124.28 1dby s ILE 89 Ca -0.06 -1.02 0.05 0.00 0.00 0.00 0.00 60.65 59.62 1dby s ILE 89 Cb -0.10 -1.81 -0.02 0.00 0.01 0.00 0.00 42.46 40.53 1dby s ILE 89 CO -0.17 0.57 -0.14 -0.63 0.00 0.00 0.00 174.94 174.57 1dby s ILE 90 N -0.36 1.14 0.00 2.92 1.01 -1.26 -0.18 121.20 124.47 1dby s ILE 90 Ca 0.02 -0.87 0.00 0.00 0.00 0.00 0.00 60.65 59.81 1dby s ILE 90 Cb -0.12 -1.00 0.00 0.00 0.01 0.00 0.00 42.46 41.34 1dby s ILE 90 CO 0.02 0.13 0.00 0.61 0.00 0.00 0.00 174.94 175.70 1dby n GLY 91 N 2.20 -0.06 3.72 6.18 0.00 -0.09 -4.94 105.19 112.21 1dby n GLY 91 Ca -0.17 -1.74 -0.42 0.00 0.00 0.00 0.00 46.02 43.70 1dby n GLY 91 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1dby s ALA 92 N -2.45 3.70 0.03 4.61 0.00 -1.26 -4.48 121.76 121.91 1dby s ALA 92 Ca 0.00 1.30 -0.12 0.00 0.00 0.00 0.00 51.96 53.15 1dby s ALA 92 Cb 0.00 -3.59 0.01 0.00 0.00 0.00 0.00 23.12 19.55 1dby s ALA 92 CO 0.00 -0.73 0.25 0.08 0.00 0.00 0.00 175.76 175.36 1dby s VAL 93 N 0.87 0.09 0.26 0.00 1.01 -1.26 -5.08 120.40 116.28 1dby s VAL 93 Ca 0.66 -0.73 -0.30 0.00 0.00 0.00 0.00 61.98 61.62 1dby s VAL 93 Cb -0.42 -0.85 -0.09 0.00 0.00 0.00 0.00 36.38 35.03 1dby s VAL 93 CO 0.34 -0.40 1.12 -2.84 0.00 0.00 0.00 175.10 173.32 1dby s PRO 94 N -2.29 4.60 0.43 2.72 0.02 -1.26 -4.92 135.00 134.30 1dby s PRO 94 Ca -0.07 1.83 0.14 0.00 0.02 0.00 0.00 61.00 62.92 1dby s PRO 94 Cb -0.02 -3.20 1.01 0.00 0.02 0.00 0.00 34.50 32.32 1dby s PRO 94 CO -0.02 0.14 1.97 -0.22 -0.33 0.00 0.00 177.00 178.54 1dby h LYS 95 N 4.10 0.42 -1.10 5.54 1.63 -1.98 0.42 116.57 125.59 1dby h LYS 95 Ca -0.46 -0.03 0.32 0.00 -0.85 0.00 0.00 60.65 59.63 1dby h LYS 95 Cb 1.21 -0.09 -0.12 0.00 -0.60 0.00 0.00 32.23 32.63 1dby h LYS 95 CO 0.68 0.28 0.69 0.00 -3.45 0.00 0.00 179.45 177.65 1dby h ALA 96 N 1.68 2.27 -0.27 5.00 0.00 -1.99 0.50 119.26 126.45 1dby h ALA 96 Ca 0.29 0.11 -0.15 0.00 0.00 0.00 0.00 54.91 55.16 1dby h ALA 96 Cb 0.57 0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.46 1dby h ALA 96 CO -0.08 -0.79 -0.41 1.15 0.00 0.00 0.00 179.25 179.12 1dby h THR 97 N 0.31 1.30 -0.52 0.00 2.02 -1.29 -2.35 112.91 112.38 1dby h THR 97 Ca 0.69 -1.60 -0.01 0.00 0.77 0.00 0.00 66.41 66.25 1dby h THR 97 Cb 1.80 1.67 -0.02 0.00 -1.74 0.00 0.00 68.15 69.85 1dby h THR 97 CO -0.41 0.51 0.28 0.40 0.37 0.00 0.00 175.52 176.68 1dby h ILE 98 N 0.50 1.18 0.12 3.11 2.04 -0.20 0.57 117.51 124.83 1dby h ILE 98 Ca 0.03 -0.47 0.02 0.00 1.00 0.00 0.00 64.86 65.44 1dby h ILE 98 Cb 1.01 0.54 -0.04 0.00 -0.74 0.00 0.00 36.82 37.59 1dby h ILE 98 CO 0.09 0.19 -0.32 0.58 0.00 0.00 0.00 178.15 178.70 1dby h VAL 99 N 0.69 0.32 -0.78 1.67 2.07 -0.47 0.13 116.25 119.89 1dby h VAL 99 Ca 0.18 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.83 1dby h VAL 99 Cb 0.06 0.32 -0.09 0.00 -1.52 0.00 0.00 31.29 30.06 1dby h VAL 99 CO -0.03 0.00 0.37 1.56 0.02 0.00 0.00 177.57 179.49 1dby h GLN 100 N -0.54 0.55 -0.99 1.57 4.20 -1.11 0.14 115.11 118.93 1dby h GLN 100 Ca 0.03 -0.03 0.03 0.00 0.06 0.00 0.00 58.65 58.74 1dby h GLN 100 Cb 0.57 -0.12 -0.05 0.00 0.30 0.00 0.00 27.48 28.17 1dby h GLN 100 CO -0.19 0.36 0.65 1.15 -0.67 0.00 0.00 178.83 180.14 1dby h THR 101 N 0.56 1.20 0.06 -0.54 2.02 0.19 -0.96 112.91 115.43 1dby h THR 101 Ca 0.42 -0.44 -0.00 0.00 0.77 0.00 0.00 66.41 67.15 1dby h THR 101 Cb 0.57 -0.20 0.00 0.00 -1.74 0.00 0.00 68.15 66.78 1dby h THR 101 CO -0.35 0.23 -0.03 0.58 0.37 0.00 0.00 175.52 176.33 1dby h VAL 102 N 1.28 1.12 -0.57 3.16 2.07 0.16 -3.29 116.25 120.19 1dby h VAL 102 Ca 0.38 -0.60 0.11 0.00 0.82 0.00 0.00 66.70 67.41 1dby h VAL 102 Cb -0.05 1.52 -0.09 0.00 -1.52 0.00 0.00 31.29 31.15 1dby h VAL 102 CO -0.11 0.15 0.08 -0.33 0.02 0.00 0.00 177.57 177.38 1dby h GLU 103 N -0.34 0.19 -0.14 1.57 5.08 -0.22 0.13 114.58 120.86 1dby h GLU 103 Ca -0.01 -0.01 0.04 0.00 -1.00 0.00 0.00 59.36 58.38 1dby h GLU 103 Cb 0.30 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.50 1dby h GLU 103 CO 0.01 0.13 0.15 1.57 -1.00 0.00 0.00 179.01 179.87 1dby h LYS 104 N 0.20 0.00 0.00 2.33 2.10 -1.26 -2.89 116.57 117.05 1dby h LYS 104 Ca 0.29 0.00 -0.18 0.00 -2.00 0.00 0.00 60.65 58.77 1dby h LYS 104 Cb 0.44 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 31.75 1dby h LYS 104 CO -0.42 0.00 -1.11 0.66 -2.00 0.00 0.00 179.45 176.58 1dby n TYR 105 N -3.84 0.95 0.00 0.07 4.01 0.22 -4.97 117.16 113.61 1dby n TYR 105 Ca 0.00 0.41 0.00 0.00 -0.16 0.00 0.00 57.90 58.16 1dby n TYR 105 Cb 0.26 -1.01 0.00 0.00 -0.31 0.00 0.00 39.34 38.28 1dby n TYR 105 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 1dby n LEU 106 N -4.47 0.00 0.00 7.72 4.32 0.16 -5.14 117.00 119.59 1dby n LEU 106 Ca -0.26 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.73 1dby n LEU 106 Cb 0.58 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.38 1dby n LEU 106 CO 0.16 0.00 0.00 -3.20 -1.22 0.00 0.00 177.39 173.13