#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 0.00 -2.19 2.12 1.02 -1.26 -4.54 120.64 115.79 1dby n GLU 2 Ca 0.00 0.00 -0.42 0.00 -0.02 0.00 0.00 57.16 56.72 1dby n GLU 2 Cb 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 31.44 31.39 1dby n GLU 2 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1dby s ALA 3 N 0.00 3.57 0.88 0.62 0.00 -1.26 -4.89 121.76 120.68 1dby s ALA 3 Ca 0.00 1.10 -0.13 0.00 0.00 0.00 0.00 51.96 52.94 1dby s ALA 3 Cb 0.00 -3.52 0.15 0.00 0.00 0.00 0.00 23.12 19.75 1dby s ALA 3 CO 0.00 -0.59 1.23 0.20 0.00 0.00 0.00 175.76 176.60 1dby s GLY 4 N 0.98 1.72 -0.14 0.00 0.00 -0.96 -4.86 107.32 104.06 1dby s GLY 4 Ca 0.63 -1.08 -0.01 0.00 0.00 0.00 0.00 44.72 44.26 1dby s GLY 4 CO 0.31 -0.43 -0.12 0.00 0.00 0.00 0.00 173.10 172.86 1dby s ALA 5 N -3.68 2.66 0.21 3.20 0.00 -1.26 -0.97 121.76 121.92 1dby s ALA 5 Ca 0.69 -0.90 0.06 0.00 0.00 0.00 0.00 51.96 51.81 1dby s ALA 5 Cb -0.06 -1.26 -0.05 0.00 0.00 0.00 0.00 23.12 21.74 1dby s ALA 5 CO 0.50 0.22 -0.08 0.14 0.00 0.00 0.00 175.76 176.53 1dby s VAL 6 N 0.40 1.42 0.28 0.00 -7.23 0.77 -4.91 120.40 111.13 1dby s VAL 6 Ca -0.10 -2.12 0.04 0.00 -1.81 0.00 0.00 61.98 58.00 1dby s VAL 6 Cb -0.16 -2.15 -0.03 0.00 0.56 0.00 0.00 36.38 34.60 1dby s VAL 6 CO 0.05 -0.51 0.21 0.20 -0.31 0.00 0.00 175.10 174.74 1dby s ASN 7 N -3.30 1.13 0.17 4.85 -0.87 -1.26 -3.29 114.94 112.37 1dby s ASN 7 Ca 0.24 -1.60 -0.24 0.00 -1.57 0.00 0.00 52.86 49.69 1dby s ASN 7 Cb 0.02 0.47 0.06 0.00 -0.02 0.00 0.00 41.25 41.78 1dby s ASN 7 CO 0.07 -0.96 1.58 -0.78 -2.57 0.00 0.00 177.10 174.44 1dby h ASP 8 N 2.31 -1.25 -0.50 -1.22 1.82 -1.86 0.30 116.42 116.02 1dby h ASP 8 Ca -0.30 0.21 0.10 0.00 -0.39 0.00 0.00 57.03 56.65 1dby h ASP 8 Cb 1.24 0.58 -0.10 0.00 0.68 0.00 0.00 39.33 41.73 1dby h ASP 8 CO 0.44 -0.33 -0.24 0.44 -1.61 0.00 0.00 179.24 177.94 1dby h ASP 9 N -0.25 -0.82 0.18 2.28 5.19 -1.97 -2.36 116.42 118.66 1dby h ASP 9 Ca 0.18 0.19 -0.25 0.00 -0.62 0.00 0.00 57.03 56.53 1dby h ASP 9 Cb 0.56 0.44 0.01 0.00 0.18 0.00 0.00 39.33 40.52 1dby h ASP 9 CO -0.60 -0.26 -0.99 0.71 -3.12 0.00 0.00 179.24 174.97 1dby h THR 10 N -0.13 1.34 -0.96 0.35 1.35 -1.77 -3.34 112.91 109.76 1dby h THR 10 Ca 0.23 -2.36 0.26 0.00 -0.55 0.00 0.00 66.41 63.99 1dby h THR 10 Cb 0.49 2.40 -0.18 0.00 -1.73 0.00 0.00 68.15 69.13 1dby h THR 10 CO -0.58 0.72 0.03 0.15 -0.25 0.00 0.00 175.52 175.59 1dby h PHE 11 N 0.31 -0.03 -0.43 4.73 3.57 0.12 0.31 116.94 125.52 1dby h PHE 11 Ca -0.10 0.07 0.09 0.00 3.53 0.00 0.00 57.97 61.55 1dby h PHE 11 Cb 1.64 0.17 -0.08 0.00 2.79 0.00 0.00 35.95 40.47 1dby h PHE 11 CO 0.08 -0.40 -0.11 0.87 -2.23 0.00 0.00 178.31 176.51 1dby h LYS 12 N 0.03 -0.01 0.03 1.11 6.56 -1.66 0.36 116.57 122.98 1dby h LYS 12 Ca 0.58 0.00 -0.00 0.00 -1.06 0.00 0.00 60.65 60.17 1dby h LYS 12 Cb 1.17 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.84 1dby h LYS 12 CO -0.89 -0.01 -0.01 -0.91 -2.06 0.00 0.00 179.45 175.57 1dby h ASN 13 N -0.01 -0.03 0.04 0.86 -0.26 -0.75 0.14 115.58 115.57 1dby h ASN 13 Ca 0.21 -0.63 -0.13 0.00 -0.56 0.00 0.00 56.30 55.18 1dby h ASN 13 Cb 0.32 0.01 -0.01 0.00 -1.06 0.00 0.00 38.32 37.58 1dby h ASN 13 CO -0.44 0.74 -0.44 0.58 -1.06 0.00 0.00 177.43 176.81 1dby h VAL 14 N -0.94 1.31 0.00 2.81 2.07 -0.67 -3.24 116.25 117.59 1dby h VAL 14 Ca -0.00 -1.62 -0.01 0.00 0.82 0.00 0.00 66.70 65.89 1dby h VAL 14 Cb 0.66 1.63 -0.00 0.00 -1.52 0.00 0.00 31.29 32.07 1dby h VAL 14 CO 0.01 0.50 -0.47 0.52 0.02 0.00 0.00 177.57 178.15 1dby n VAL 15 N -4.01 1.33 0.00 2.57 0.31 0.11 -4.65 118.33 113.99 1dby n VAL 15 Ca -0.02 0.28 0.00 0.00 -0.01 0.00 0.00 64.34 64.59 1dby n VAL 15 Cb 0.53 -1.91 0.00 0.00 -0.91 0.00 0.00 33.84 31.55 1dby n VAL 15 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 1dby n LEU 16 N -3.91 0.34 -3.11 7.52 4.77 -0.41 -3.70 117.00 118.50 1dby n LEU 16 Ca -0.07 0.66 -0.35 0.00 -0.03 0.00 0.00 56.01 56.23 1dby n LEU 16 Cb 0.24 -0.32 -0.05 0.00 -2.33 0.00 0.00 43.42 40.96 1dby n LEU 16 CO 0.09 -0.32 2.82 1.21 -1.33 0.00 0.00 177.39 179.86 1dby n GLU 17 N -1.46 3.59 0.00 3.23 4.07 0.49 -2.72 120.64 127.83 1dby n GLU 17 Ca 0.00 -2.32 0.00 0.00 -0.06 0.00 0.00 57.16 54.78 1dby n GLU 17 Cb 0.00 -2.61 0.00 0.00 -0.06 0.00 0.00 31.44 28.77 1dby n GLU 17 CO 0.00 0.00 0.00 -1.13 -0.06 0.00 0.00 177.13 175.94 1dby n SER 18 N 2.84 0.00 0.03 4.31 3.41 -1.22 -4.72 113.62 118.27 1dby n SER 18 Ca 0.68 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 59.29 1dby n SER 18 Cb 0.35 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.30 1dby n SER 18 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1dby n SER 19 N 0.00 -0.58 -4.84 4.04 3.41 -1.26 -5.05 113.62 109.33 1dby n SER 19 Ca 0.00 0.13 -0.31 0.00 -0.26 0.00 0.00 58.87 58.42 1dby n SER 19 Cb 0.00 0.96 0.01 0.00 -0.26 0.00 0.00 64.21 64.92 1dby n SER 19 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 1dby s VAL 20 N -1.13 4.36 0.99 -3.33 -7.23 -1.26 -4.97 120.40 107.82 1dby s VAL 20 Ca 0.00 0.87 -0.12 0.00 -1.81 0.00 0.00 61.98 60.93 1dby s VAL 20 Cb 0.00 -3.64 0.18 0.00 0.56 0.00 0.00 36.38 33.48 1dby s VAL 20 CO 0.00 -0.90 1.08 -2.16 -0.31 0.00 0.00 175.10 172.81 1dby s PRO 21 N -4.80 0.51 0.03 4.82 0.04 -1.26 -4.76 135.00 129.58 1dby s PRO 21 Ca 0.58 0.99 0.03 0.00 0.04 0.00 0.00 61.00 62.64 1dby s PRO 21 Cb -0.12 -1.71 -0.02 0.00 0.04 0.00 0.00 34.50 32.69 1dby s PRO 21 CO 0.48 -2.80 -0.10 0.08 0.04 0.00 0.00 177.00 174.70 1dby s VAL 22 N -2.72 0.76 -0.29 -0.36 1.01 0.40 -0.09 120.40 119.11 1dby s VAL 22 Ca 0.66 -0.86 0.01 0.00 0.00 0.00 0.00 61.98 61.79 1dby s VAL 22 Cb -0.21 -0.73 0.08 0.00 0.00 0.00 0.00 36.38 35.53 1dby s VAL 22 CO 0.60 -0.11 0.03 -0.22 0.00 0.00 0.00 175.10 175.40 1dby s LEU 23 N -1.08 3.08 -0.01 3.92 0.20 0.37 -0.48 118.68 124.69 1dby s LEU 23 Ca -0.02 -1.61 -0.04 0.00 0.69 0.00 0.00 54.13 53.14 1dby s LEU 23 Cb -0.07 -1.20 -0.04 0.00 -0.43 0.00 0.00 46.19 44.45 1dby s LEU 23 CO 0.01 -0.34 0.21 0.68 -0.29 0.00 0.00 176.35 176.62 1dby s VAL 24 N 1.33 5.39 -0.28 1.68 -7.23 0.17 -0.32 120.40 121.14 1dby s VAL 24 Ca 0.04 -0.01 -0.03 0.00 -1.81 0.00 0.00 61.98 60.18 1dby s VAL 24 Cb -0.18 -3.54 0.03 0.00 0.56 0.00 0.00 36.38 33.25 1dby s VAL 24 CO -0.13 0.36 -0.00 -0.62 -0.31 0.00 0.00 175.10 174.40 1dby s ASP 25 N -1.78 4.71 -0.43 4.85 2.15 0.78 -0.54 116.67 126.41 1dby s ASP 25 Ca 0.26 -0.98 -0.29 0.00 0.43 0.00 0.00 52.55 51.98 1dby s ASP 25 Cb -0.13 -1.73 0.02 0.00 -0.30 0.00 0.00 42.92 40.78 1dby s ASP 25 CO 0.16 -0.19 1.20 -0.36 -0.17 0.00 0.00 175.17 175.81 1dby s PHE 26 N 1.34 2.76 0.19 -5.34 0.40 -0.97 -0.49 117.98 115.87 1dby s PHE 26 Ca -0.01 0.78 0.00 0.00 -0.60 0.00 0.00 56.93 57.10 1dby s PHE 26 Cb -0.18 -4.28 -0.00 0.00 0.51 0.00 0.00 43.02 39.07 1dby s PHE 26 CO -0.02 -1.40 0.01 -2.67 0.70 0.00 0.00 175.22 171.85 1dby n TRP 27 N 7.92 0.37 -3.64 0.36 4.27 0.65 -3.59 117.44 123.78 1dby n TRP 27 Ca 0.13 -1.02 -0.06 0.00 -3.89 0.00 0.00 57.50 52.67 1dby n TRP 27 Cb 0.48 -0.10 -0.07 0.00 -1.36 0.00 0.00 31.31 30.26 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 -2.09 -0.36 -1.67 0.00 -1.26 -0.04 121.76 113.97 1dby s ALA 28 Ca 0.02 1.77 -0.29 0.00 0.00 0.00 0.00 51.96 53.46 1dby s ALA 28 Cb 0.00 -1.54 -0.00 0.00 0.00 0.00 0.00 23.12 21.58 1dby s ALA 28 CO 0.01 -0.18 1.56 -1.25 0.00 0.00 0.00 175.76 175.90 1dby s PRO 29 N -0.05 3.53 0.00 0.00 0.04 -1.26 -0.63 135.00 136.64 1dby s PRO 29 Ca 0.05 1.19 0.00 0.00 0.04 0.00 0.00 61.00 62.28 1dby s PRO 29 Cb -0.04 -4.08 0.00 0.00 0.04 0.00 0.00 34.50 30.42 1dby s PRO 29 CO -0.10 -1.62 0.00 -2.67 0.04 0.00 0.00 177.00 172.65 1dby n TRP 30 N 9.23 0.00 -2.00 0.56 4.27 -1.26 -5.08 117.44 123.16 1dby n TRP 30 Ca 0.19 0.00 -0.26 0.00 -3.89 0.00 0.00 57.50 53.54 1dby n TRP 30 Cb 0.47 0.00 -0.05 0.00 -1.36 0.00 0.00 31.31 30.37 1dby n TRP 30 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1dby n GLY 32 N 6.70 -2.34 0.19 0.00 0.00 -1.26 -0.97 105.19 107.51 1dby n GLY 32 Ca 0.41 0.59 -0.04 0.00 0.00 0.00 0.00 46.02 46.98 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 0.37 -0.83 1.61 0.13 -1.90 -2.40 132.00 128.98 1dby h PRO 33 Ca 0.03 -0.02 0.11 0.00 -0.87 0.00 0.00 66.00 65.25 1dby h PRO 33 Cb 0.09 -0.08 -0.08 0.00 0.13 0.00 0.00 31.00 31.05 1dby h PRO 33 CO -0.20 0.25 0.46 0.00 -0.23 0.00 0.00 178.00 178.28 1dby h ARG 35 N 0.74 -0.34 0.00 0.00 9.65 -0.53 0.26 114.38 124.15 1dby h ARG 35 Ca 0.42 0.02 -0.11 0.00 -1.10 0.00 0.00 59.98 59.21 1dby h ARG 35 Cb 0.46 0.08 -0.02 0.00 -1.39 0.00 0.00 29.97 29.10 1dby h ARG 35 CO -0.28 -0.23 -0.53 -0.84 2.80 0.00 0.00 179.97 180.89 1dby h ILE 36 N -0.36 1.13 -0.04 1.20 3.07 -1.32 -3.21 117.51 117.99 1dby h ILE 36 Ca 0.05 -1.98 -0.24 0.00 1.55 0.00 0.00 64.86 64.23 1dby h ILE 36 Cb 0.41 2.15 0.01 0.00 -0.27 0.00 0.00 36.82 39.13 1dby h ILE 36 CO -0.16 0.52 -0.95 0.40 -1.05 0.00 0.00 178.15 176.91 1dby h ILE 37 N 0.00 1.31 -0.98 0.16 5.03 -0.48 -3.38 117.51 119.17 1dby h ILE 37 Ca -0.01 -2.23 0.23 0.00 -0.12 0.00 0.00 64.86 62.74 1dby h ILE 37 Cb 1.11 2.29 -0.18 0.00 -3.03 0.00 0.00 36.82 37.00 1dby h ILE 37 CO 0.07 0.69 -0.12 0.00 -0.68 0.00 0.00 178.15 178.11 1dby n ALA 38 N -2.61 0.37 -0.22 1.87 0.00 0.87 0.34 120.51 121.13 1dby n ALA 38 Ca -0.09 1.07 0.00 0.00 0.00 0.00 0.00 53.44 54.42 1dby n ALA 38 Cb 0.83 -0.71 0.23 0.00 0.00 0.00 0.00 19.45 19.81 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 1.00 -0.32 0.00 0.11 -1.76 0.18 132.00 131.20 1dby h PRO 39 Ca 0.53 -0.07 -0.03 0.00 0.11 0.00 0.00 66.00 66.54 1dby h PRO 39 Cb 0.97 -0.22 -0.01 0.00 0.11 0.00 0.00 31.00 31.84 1dby h PRO 39 CO -0.97 0.68 0.08 0.28 -0.21 0.00 0.00 178.00 177.86 1dby h VAL 40 N 1.02 1.22 -0.59 3.15 2.07 -0.34 0.20 116.25 122.98 1dby h VAL 40 Ca 0.27 -0.73 0.03 0.00 0.82 0.00 0.00 66.70 67.10 1dby h VAL 40 Cb -0.08 1.08 -0.04 0.00 -1.52 0.00 0.00 31.29 30.72 1dby h VAL 40 CO -0.06 0.24 0.35 0.58 0.02 0.00 0.00 177.57 178.71 1dby h VAL 41 N 0.37 1.05 0.71 2.57 2.07 0.00 0.58 116.25 123.60 1dby h VAL 41 Ca 0.10 -0.23 -0.03 0.00 0.82 0.00 0.00 66.70 67.36 1dby h VAL 41 Cb 0.29 0.30 -0.00 0.00 -1.52 0.00 0.00 31.29 30.36 1dby h VAL 41 CO 0.00 0.12 -0.43 0.44 0.02 0.00 0.00 177.57 177.73 1dby h ASP 42 N 0.68 -1.07 -0.70 0.57 3.32 -0.32 -2.41 116.42 116.49 1dby h ASP 42 Ca 0.24 0.06 -0.01 0.00 0.02 0.00 0.00 57.03 57.34 1dby h ASP 42 Cb 0.05 0.31 -0.03 0.00 0.22 0.00 0.00 39.33 39.87 1dby h ASP 42 CO -0.11 -0.66 0.42 1.05 -1.72 0.00 0.00 179.24 178.21 1dby h GLU 43 N -1.06 0.97 -0.97 3.56 4.11 -0.85 -0.52 114.58 119.82 1dby h GLU 43 Ca -0.10 -0.09 0.18 0.00 0.07 0.00 0.00 59.36 59.43 1dby h GLU 43 Cb 0.85 -0.20 -0.10 0.00 0.50 0.00 0.00 28.75 29.79 1dby h GLU 43 CO 0.10 0.69 0.57 0.82 0.07 0.00 0.00 179.01 181.27 1dby h ILE 44 N 0.99 0.71 -0.64 -1.06 1.08 -0.78 0.37 117.51 118.18 1dby h ILE 44 Ca 0.26 -0.25 0.02 0.00 -0.39 0.00 0.00 64.86 64.49 1dby h ILE 44 Cb -0.02 -0.09 -0.04 0.00 -3.07 0.00 0.00 36.82 33.60 1dby h ILE 44 CO -0.05 0.13 0.41 0.00 -0.69 0.00 0.00 178.15 177.96 1dby h ALA 45 N 1.63 0.82 -1.00 1.87 0.00 -0.57 0.44 119.26 122.45 1dby h ALA 45 Ca 0.55 -0.03 0.08 0.00 0.00 0.00 0.00 54.91 55.52 1dby h ALA 45 Cb 0.84 -0.23 -0.07 0.00 0.00 0.00 0.00 17.79 18.33 1dby h ALA 45 CO -0.38 0.19 0.64 0.78 0.00 0.00 0.00 179.25 180.48 1dby h GLY 46 N 0.82 1.55 0.55 0.00 0.00 -0.19 0.54 103.07 106.34 1dby h GLY 46 Ca 0.25 -0.45 -0.00 0.00 0.00 0.00 0.00 47.33 47.12 1dby h GLY 46 CO -0.08 0.27 -0.03 0.83 0.00 0.00 0.00 176.54 177.53 1dby h GLU 47 N 1.11 -0.08 -0.74 4.80 5.08 -0.36 -3.35 114.58 121.03 1dby h GLU 47 Ca 0.45 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.82 1dby h GLU 47 Cb 0.28 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.55 1dby h GLU 47 CO -0.20 0.34 0.00 0.66 -1.00 0.00 0.00 179.01 178.81 1dby n TYR 48 N -4.92 1.01 -1.43 4.33 4.01 0.06 -5.02 117.16 115.19 1dby n TYR 48 Ca -0.08 -0.50 -0.40 0.00 -0.16 0.00 0.00 57.90 56.75 1dby n TYR 48 Cb 0.24 -0.01 0.02 0.00 -0.31 0.00 0.00 39.34 39.28 1dby n TYR 48 CO 0.00 0.00 0.00 0.36 -0.46 0.00 0.00 176.86 176.76 1dby n LYS 49 N 1.67 0.49 0.00 -0.72 2.85 0.19 -1.57 118.16 121.06 1dby n LYS 49 Ca 0.25 0.18 0.00 0.00 -1.05 0.00 0.00 58.31 57.69 1dby n LYS 49 Cb 0.63 -1.50 0.00 0.00 -0.65 0.00 0.00 35.03 33.51 1dby n LYS 49 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 1dby n ASP 50 N 1.19 0.00 0.22 -5.58 8.00 -1.26 -4.39 116.55 114.73 1dby n ASP 50 Ca 0.11 0.00 0.13 0.00 0.71 0.00 0.00 54.79 55.74 1dby n ASP 50 Cb 0.43 0.00 0.30 0.00 -0.02 0.00 0.00 41.12 41.83 1dby n ASP 50 CO 0.00 0.00 0.00 0.11 -0.39 0.00 0.00 177.20 176.92 1dby h LYS 51 N 0.00 0.00 -2.35 -1.24 1.57 -1.89 -3.44 116.57 109.21 1dby h LYS 51 Ca 0.00 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.73 1dby h LYS 51 Cb 0.00 0.00 -0.24 0.00 0.08 0.00 0.00 32.23 32.07 1dby h LYS 51 CO 0.00 0.00 -0.17 -1.17 -0.57 0.00 0.00 179.45 177.54 1dby s LEU 52 N -6.04 -0.52 -0.70 2.94 2.96 -0.61 -4.28 118.68 112.43 1dby s LEU 52 Ca 0.06 1.18 -0.21 0.00 -0.22 0.00 0.00 54.13 54.94 1dby s LEU 52 Cb 0.06 1.80 0.09 0.00 0.50 0.00 0.00 46.19 48.65 1dby s LEU 52 CO 0.63 -0.22 0.93 -0.75 -1.32 0.00 0.00 176.35 175.63 1dby s LYS 53 N 1.65 3.20 0.10 1.98 2.36 0.87 -4.23 119.74 125.67 1dby s LYS 53 Ca -0.09 -1.16 -0.30 0.00 -2.55 0.00 0.00 55.97 51.87 1dby s LYS 53 Cb -0.07 -4.38 -0.05 0.00 -1.05 0.00 0.00 37.83 32.27 1dby s LYS 53 CO -0.16 -1.74 0.98 0.00 1.55 0.00 0.00 175.35 175.98 1dby s VAL 55 N 0.16 0.00 -0.04 0.00 -7.23 0.56 -2.27 120.40 111.58 1dby s VAL 55 Ca 0.48 -1.38 0.01 0.00 -1.81 0.00 0.00 61.98 59.29 1dby s VAL 55 Cb -0.24 -2.18 0.02 0.00 0.56 0.00 0.00 36.38 34.54 1dby s VAL 55 CO 0.30 -0.01 -0.06 -0.54 -0.31 0.00 0.00 175.10 174.48 1dby s LYS 56 N -4.01 0.93 -0.07 4.82 1.02 -0.14 -0.16 119.74 122.13 1dby s LYS 56 Ca 0.22 -0.18 0.05 0.00 0.02 0.00 0.00 55.97 56.08 1dby s LYS 56 Cb -0.01 -0.88 -0.01 0.00 -0.52 0.00 0.00 37.83 36.41 1dby s LYS 56 CO 0.09 -0.03 -0.24 -0.48 -0.92 0.00 0.00 175.35 173.77 1dby s LEU 57 N 0.71 2.13 -0.45 3.17 0.05 0.35 -0.16 118.68 124.48 1dby s LEU 57 Ca -0.10 -0.50 -0.28 0.00 0.05 0.00 0.00 54.13 53.30 1dby s LEU 57 Cb -0.13 -1.40 0.03 0.00 -2.05 0.00 0.00 46.19 42.63 1dby s LEU 57 CO 0.01 0.22 1.06 0.21 -0.55 0.00 0.00 176.35 177.31 1dby s ASN 58 N -0.03 6.64 -0.18 1.48 3.84 -1.21 -0.25 114.94 125.23 1dby s ASN 58 Ca -0.07 0.46 -0.05 0.00 0.21 0.00 0.00 52.86 53.41 1dby s ASN 58 Cb -0.15 -2.52 -0.14 0.00 -0.55 0.00 0.00 41.25 37.90 1dby s ASN 58 CO 0.05 -1.13 3.28 0.41 -2.79 0.00 0.00 177.10 176.91 1dby n THR 59 N 6.57 3.12 0.00 -5.21 -1.04 0.94 -0.03 114.28 118.62 1dby n THR 59 Ca 0.10 -2.08 0.00 0.00 -2.04 0.00 0.00 64.05 60.04 1dby n THR 59 Cb 0.49 -1.83 0.00 0.00 -1.82 0.00 0.00 70.33 67.16 1dby n THR 59 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 1dby n ASP 60 N 1.85 0.00 0.15 8.00 2.03 -1.26 -4.61 116.55 122.70 1dby n ASP 60 Ca 0.45 0.00 0.04 0.00 0.52 0.00 0.00 54.79 55.80 1dby n ASP 60 Cb 0.77 0.10 0.04 0.00 -0.72 0.00 0.00 41.12 41.31 1dby n ASP 60 CO 0.00 0.00 0.00 -0.08 -1.92 0.00 0.00 177.20 175.20 1dby h GLU 61 N 0.00 0.00 -1.58 -0.67 4.81 -1.94 -3.38 114.58 111.82 1dby h GLU 61 Ca 0.00 0.00 -0.45 0.00 -0.13 0.00 0.00 59.36 58.78 1dby h GLU 61 Cb 0.00 0.00 -0.35 0.00 0.63 0.00 0.00 28.75 29.03 1dby h GLU 61 CO 0.00 0.40 -1.02 0.43 -0.73 0.00 0.00 179.01 178.08 1dby n SER 62 N -3.18 -0.01 0.11 1.04 7.64 0.95 -4.78 113.62 115.39 1dby n SER 62 Ca 0.02 -3.06 -0.01 0.00 1.01 0.00 0.00 58.87 56.83 1dby n SER 62 Cb 0.70 -0.10 -0.03 0.00 -1.01 0.00 0.00 64.21 63.78 1dby n SER 62 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 1dby h PRO 63 N 3.27 0.00 -0.82 1.43 0.13 -1.75 -3.36 132.00 130.90 1dby h PRO 63 Ca 0.05 0.00 0.07 0.00 -0.87 0.00 0.00 66.00 65.25 1dby h PRO 63 Cb 0.97 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 32.01 1dby h PRO 63 CO 0.43 0.66 -0.48 0.09 -0.23 0.00 0.00 178.00 178.46 1dby n ASN 64 N -3.26 -0.87 0.09 1.44 3.02 -1.26 0.24 115.26 114.66 1dby n ASN 64 Ca 0.01 1.58 -0.12 0.00 -0.03 0.00 0.00 54.58 56.02 1dby n ASN 64 Cb 0.81 -0.25 -0.05 0.00 -0.61 0.00 0.00 39.78 39.67 1dby n ASN 64 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 1dby h VAL 65 N 0.00 0.60 -0.76 2.41 2.07 -2.00 0.41 116.25 118.98 1dby h VAL 65 Ca 0.13 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.78 1dby h VAL 65 Cb 0.34 0.60 -0.05 0.00 -1.52 0.00 0.00 31.29 30.65 1dby h VAL 65 CO -0.77 0.00 0.50 0.00 0.02 0.00 0.00 177.57 177.32 1dby h ALA 66 N 0.52 1.95 -0.06 1.67 0.00 -1.25 -0.03 119.26 122.07 1dby h ALA 66 Ca 0.03 -0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.85 1dby h ALA 66 Cb 0.36 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1dby h ALA 66 CO -0.11 -0.14 -0.31 0.77 0.00 0.00 0.00 179.25 179.46 1dby h SER 67 N 0.55 0.37 -0.72 0.00 0.02 0.52 0.24 113.55 114.53 1dby h SER 67 Ca 0.36 -0.67 0.08 0.00 -0.84 0.00 0.00 61.79 60.73 1dby h SER 67 Cb 0.66 -0.11 -0.07 0.00 0.14 0.00 0.00 62.40 63.02 1dby h SER 67 CO -0.13 0.98 0.39 -0.33 -1.14 0.00 0.00 176.83 176.60 1dby h GLU 68 N -0.21 0.66 0.05 3.45 5.08 -0.08 -2.15 114.58 121.38 1dby h GLU 68 Ca -0.02 -0.04 -0.23 0.00 -1.00 0.00 0.00 59.36 58.07 1dby h GLU 68 Cb 0.98 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 30.07 1dby h GLU 68 CO 0.06 0.44 -1.06 1.88 -1.00 0.00 0.00 179.01 179.33 1dby h TYR 69 N 0.68 0.26 -1.00 4.33 -1.99 -1.05 -3.49 116.97 114.71 1dby h TYR 69 Ca 0.34 -0.18 0.00 0.00 2.00 0.00 0.00 58.73 60.90 1dby h TYR 69 Cb 0.30 -0.02 0.00 0.00 2.00 0.00 0.00 36.73 39.02 1dby h TYR 69 CO -0.09 1.10 0.00 0.41 -0.00 0.00 0.00 178.16 179.58 1dby n GLY 70 N 1.29 0.56 3.61 3.88 0.00 0.66 -5.03 105.19 110.16 1dby n GLY 70 Ca -0.04 -0.29 -0.43 0.00 0.00 0.00 0.00 46.02 45.26 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 -2.02 4.30 0.00 -0.61 1.01 -0.03 -4.91 121.20 118.95 1dby s ILE 71 Ca 0.00 1.38 0.12 0.00 0.00 0.00 0.00 60.65 62.15 1dby s ILE 71 Cb 0.00 -4.54 -0.05 0.00 0.01 0.00 0.00 42.46 37.88 1dby s ILE 71 CO 0.00 -0.84 1.40 0.08 0.00 0.00 0.00 174.94 175.58 1dby h ARG 72 N 8.89 0.00 -3.15 2.79 -0.00 -1.96 -3.47 114.38 117.48 1dby h ARG 72 Ca -0.22 0.00 -0.02 0.00 -0.00 0.00 0.00 59.98 59.74 1dby h ARG 72 Cb 1.06 0.00 -0.11 0.00 -0.00 0.00 0.00 29.97 30.92 1dby h ARG 72 CO 1.10 0.71 0.11 -1.12 -0.00 0.00 0.00 179.97 180.77 1dby s SER 73 N -6.58 -0.40 0.12 0.08 0.01 -1.26 -5.19 113.70 100.48 1dby s SER 73 Ca 0.02 -0.22 0.06 0.00 1.31 0.00 0.00 55.95 57.11 1dby s SER 73 Cb 0.09 0.58 -0.04 0.00 0.21 0.00 0.00 66.02 66.86 1dby s SER 73 CO 0.77 -1.00 -0.14 0.27 0.41 0.00 0.00 173.24 173.56 1dby s ILE 74 N -3.80 1.29 0.15 1.44 -4.36 -1.26 -4.20 121.20 110.45 1dby s ILE 74 Ca 0.04 -1.72 -0.30 0.00 -0.26 0.00 0.00 60.65 58.41 1dby s ILE 74 Cb -0.01 -1.53 -0.07 0.00 1.25 0.00 0.00 42.46 42.11 1dby s ILE 74 CO -0.09 -0.44 1.05 -2.16 0.24 0.00 0.00 174.94 173.54 1dby s PRO 75 N -2.72 4.63 -0.31 0.37 0.04 -1.26 -4.82 135.00 130.94 1dby s PRO 75 Ca 0.09 1.61 0.03 0.00 0.04 0.00 0.00 61.00 62.77 1dby s PRO 75 Cb -0.04 -3.32 0.09 0.00 0.04 0.00 0.00 34.50 31.27 1dby s PRO 75 CO 0.03 0.12 0.02 0.99 0.04 0.00 0.00 177.00 178.20 1dby s THR 76 N -0.11 2.04 0.18 1.26 2.01 -1.24 -0.55 115.64 119.23 1dby s THR 76 Ca 0.49 -2.03 -0.30 0.00 0.31 0.00 0.00 61.69 60.16 1dby s THR 76 Cb -0.27 -2.43 -0.07 0.00 0.01 0.00 0.00 72.50 69.74 1dby s THR 76 CO 0.33 -0.47 0.96 -0.63 -0.69 0.00 0.00 174.62 174.12 1dby s ILE 77 N 1.06 4.25 0.06 1.82 1.01 0.79 -2.30 121.20 127.89 1dby s ILE 77 Ca 0.06 2.04 0.05 0.00 0.00 0.00 0.00 60.65 62.80 1dby s ILE 77 Cb -0.19 -4.30 -0.03 0.00 0.01 0.00 0.00 42.46 37.95 1dby s ILE 77 CO -0.09 0.40 -0.14 -0.04 0.00 0.00 0.00 174.94 175.06 1dby s MET 78 N -0.58 0.88 -0.19 2.79 -1.94 0.30 -0.48 119.30 120.07 1dby s MET 78 Ca 0.44 -0.88 -0.07 0.00 -1.71 0.00 0.00 55.69 53.47 1dby s MET 78 Cb -0.25 -0.89 -0.04 0.00 2.01 0.00 0.00 34.83 35.66 1dby s MET 78 CO 0.31 0.21 0.06 0.08 -0.01 0.00 0.00 175.02 175.67 1dby s VAL 79 N -1.10 4.67 0.04 -6.03 1.01 0.20 -0.66 120.40 118.53 1dby s VAL 79 Ca -0.00 -0.07 0.07 0.00 0.00 0.00 0.00 61.98 61.98 1dby s VAL 79 Cb -0.09 -3.11 -0.03 0.00 0.00 0.00 0.00 36.38 33.14 1dby s VAL 79 CO 0.02 0.44 -0.18 -0.36 0.00 0.00 0.00 175.10 175.02 1dby s PHE 80 N 0.57 2.55 -0.01 5.22 0.40 0.37 0.21 117.98 127.30 1dby s PHE 80 Ca 0.03 -0.26 0.01 0.00 -0.60 0.00 0.00 56.93 56.11 1dby s PHE 80 Cb -0.13 -1.46 0.02 0.00 0.51 0.00 0.00 43.02 41.95 1dby s PHE 80 CO 0.01 0.24 0.73 0.36 0.70 0.00 0.00 175.22 177.26 1dby n LYS 81 N 1.59 0.61 -1.65 0.44 0.00 -1.12 -0.46 118.16 117.58 1dby n LYS 81 Ca -0.16 -0.91 0.00 0.00 -0.00 0.00 0.00 58.31 57.24 1dby n LYS 81 Cb 0.52 -0.65 0.00 0.00 -0.00 0.00 0.00 35.03 34.90 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 -0.18 -0.55 0.50 2.58 0.00 -1.26 -4.90 105.19 101.39 1dby n GLY 82 Ca 0.01 -0.79 0.00 0.00 0.00 0.00 0.00 46.02 45.24 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 0.00 0.77 3.41 -0.02 0.00 -1.10 -4.39 105.19 103.86 1dby n GLY 83 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.99 1.21 0.98 1.61 1.02 -1.26 -4.97 119.74 117.34 1dby s LYS 84 Ca 0.00 -0.82 -0.17 0.00 0.02 0.00 0.00 55.97 55.00 1dby s LYS 84 Cb 0.00 0.48 0.23 0.00 -0.52 0.00 0.00 37.83 38.02 1dby s LYS 84 CO 0.00 -0.49 1.26 0.36 -0.92 0.00 0.00 175.35 175.56 1dby n LYS 85 N -0.27 -1.47 0.06 1.68 2.85 -1.26 -2.77 118.16 116.97 1dby n LYS 85 Ca -0.12 -1.96 0.00 0.00 -1.05 0.00 0.00 58.31 55.18 1dby n LYS 85 Cb 0.63 -1.36 0.00 0.00 -0.65 0.00 0.00 35.03 33.65 1dby n LYS 85 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1dby s GLU 87 N -1.39 1.93 0.00 0.00 0.41 -1.24 -4.98 118.70 113.44 1dby s GLU 87 Ca 0.00 -2.10 -0.25 0.00 -0.41 0.00 0.00 54.97 52.22 1dby s GLU 87 Cb 0.00 -1.55 0.06 0.00 -1.78 0.00 0.00 34.13 30.86 1dby s GLU 87 CO 0.00 -0.08 0.55 -0.08 -0.49 0.00 0.00 175.26 175.17 1dby s THR 88 N -2.78 0.02 0.02 3.63 -1.32 -1.26 -0.63 115.64 113.32 1dby s THR 88 Ca 0.34 -0.17 -0.01 0.00 -1.21 0.00 0.00 61.69 60.64 1dby s THR 88 Cb 0.10 -0.93 -0.02 0.00 -1.51 0.00 0.00 72.50 70.14 1dby s THR 88 CO 0.17 -0.10 -0.02 -0.63 -2.21 0.00 0.00 174.62 171.84 1dby s ILE 89 N -1.80 0.11 -0.23 5.08 1.01 0.37 -4.98 121.20 120.76 1dby s ILE 89 Ca -0.09 -0.90 -0.29 0.00 0.00 0.00 0.00 60.65 59.37 1dby s ILE 89 Cb -0.01 -0.29 0.01 0.00 0.01 0.00 0.00 42.46 42.17 1dby s ILE 89 CO 0.04 -0.50 1.05 -0.63 0.00 0.00 0.00 174.94 174.90 1dby s ILE 90 N -1.49 4.65 0.37 2.92 1.01 -1.26 -0.15 121.20 127.26 1dby s ILE 90 Ca -0.16 2.00 0.04 0.00 0.00 0.00 0.00 60.65 62.53 1dby s ILE 90 Cb -0.10 -4.30 0.27 0.00 0.01 0.00 0.00 42.46 38.34 1dby s ILE 90 CO -0.01 -0.19 2.03 1.23 0.00 0.00 0.00 174.94 178.00 1dby h GLY 91 N 9.49 0.77 -6.33 6.18 0.00 -1.18 -3.35 103.07 108.65 1dby h GLY 91 Ca -0.19 -0.28 -0.47 0.00 0.00 0.00 0.00 47.33 46.38 1dby h GLY 91 CO 0.98 0.27 1.88 0.00 0.00 0.00 0.00 176.54 179.67 1dby n ALA 92 N -2.45 2.50 -2.81 3.60 0.00 -1.26 -4.77 120.51 115.31 1dby n ALA 92 Ca 0.06 -2.30 -0.10 0.00 0.00 0.00 0.00 53.44 51.09 1dby n ALA 92 Cb 0.07 -3.34 -0.09 0.00 0.00 0.00 0.00 19.45 16.08 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 5.24 0.12 0.79 0.00 -7.23 -1.26 -5.15 120.40 112.90 1dby s VAL 93 Ca 0.47 -0.97 -0.14 0.00 -1.81 0.00 0.00 61.98 59.53 1dby s VAL 93 Cb 0.11 -0.89 0.05 0.00 0.56 0.00 0.00 36.38 36.21 1dby s VAL 93 CO 0.13 -0.54 1.06 -2.65 -0.31 0.00 0.00 175.10 172.79 1dby n PRO 94 N 0.74 0.28 -0.30 4.82 -0.02 -1.26 -4.74 135.00 134.52 1dby n PRO 94 Ca -0.19 0.16 0.07 0.00 -2.02 0.00 0.00 63.50 61.52 1dby n PRO 94 Cb 0.59 -2.32 0.23 0.00 -0.02 0.00 0.00 33.50 31.98 1dby n PRO 94 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 1dby h LYS 95 N -0.70 0.60 -0.42 -0.52 3.64 -1.99 0.15 116.57 117.34 1dby h LYS 95 Ca -0.46 -0.04 0.08 0.00 -1.27 0.00 0.00 60.65 58.96 1dby h LYS 95 Cb 1.31 -0.14 -0.07 0.00 -0.41 0.00 0.00 32.23 32.93 1dby h LYS 95 CO 0.45 0.40 -0.02 0.00 -2.27 0.00 0.00 179.45 178.01 1dby h ALA 96 N 1.56 0.37 -0.21 5.00 0.00 -1.99 0.20 119.26 124.20 1dby h ALA 96 Ca 0.47 0.13 -0.00 0.00 0.00 0.00 0.00 54.91 55.50 1dby h ALA 96 Cb 0.67 0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.67 1dby h ALA 96 CO -0.37 -0.40 0.12 1.15 0.00 0.00 0.00 179.25 179.75 1dby h THR 97 N 0.09 1.09 0.19 0.00 2.02 -1.36 -0.36 112.91 114.58 1dby h THR 97 Ca 0.21 -0.24 0.01 0.00 0.77 0.00 0.00 66.41 67.16 1dby h THR 97 Cb 0.30 0.88 -0.04 0.00 -1.74 0.00 0.00 68.15 67.55 1dby h THR 97 CO -0.36 0.09 -0.37 0.40 0.37 0.00 0.00 175.52 175.65 1dby h ILE 98 N 0.24 0.23 -0.13 3.11 1.08 -0.44 0.51 117.51 122.12 1dby h ILE 98 Ca 0.07 0.00 0.04 0.00 -0.39 0.00 0.00 64.86 64.58 1dby h ILE 98 Cb 0.04 0.23 -0.07 0.00 -3.07 0.00 0.00 36.82 33.95 1dby h ILE 98 CO -0.01 0.00 -0.48 0.58 -0.69 0.00 0.00 178.15 177.54 1dby h VAL 99 N -0.65 0.07 -0.41 1.67 2.07 -0.45 0.18 116.25 118.72 1dby h VAL 99 Ca 0.01 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.60 1dby h VAL 99 Cb 0.65 0.07 -0.06 0.00 -1.52 0.00 0.00 31.29 30.43 1dby h VAL 99 CO -0.18 0.00 0.05 1.56 0.02 0.00 0.00 177.57 179.02 1dby h GLN 100 N -0.55 0.16 -0.83 1.57 1.08 -0.85 0.11 115.11 115.81 1dby h GLN 100 Ca 0.05 -0.01 -0.01 0.00 -1.45 0.00 0.00 58.65 57.23 1dby h GLN 100 Cb 0.66 -0.04 -0.04 0.00 -0.05 0.00 0.00 27.48 28.02 1dby h GLN 100 CO -0.42 0.11 0.46 1.15 -0.95 0.00 0.00 178.83 179.18 1dby h THR 101 N 0.17 1.24 0.40 -0.54 2.02 -0.26 -2.01 112.91 113.92 1dby h THR 101 Ca 0.20 -0.58 -0.02 0.00 0.77 0.00 0.00 66.41 66.78 1dby h THR 101 Cb 0.26 0.11 0.00 0.00 -1.74 0.00 0.00 68.15 66.78 1dby h THR 101 CO -0.29 0.27 -0.19 0.58 0.37 0.00 0.00 175.52 176.26 1dby h VAL 102 N 1.16 0.56 -0.66 3.16 2.07 0.24 -3.31 116.25 119.47 1dby h VAL 102 Ca 0.29 -0.46 0.09 0.00 0.82 0.00 0.00 66.70 67.44 1dby h VAL 102 Cb 0.01 0.77 -0.11 0.00 -1.52 0.00 0.00 31.29 30.44 1dby h VAL 102 CO -0.05 0.08 -0.48 -0.33 0.02 0.00 0.00 177.57 176.81 1dby h GLU 103 N -0.81 -0.19 -0.48 1.57 4.39 -0.54 0.35 114.58 118.85 1dby h GLU 103 Ca -0.05 0.01 0.14 0.00 0.34 0.00 0.00 59.36 59.80 1dby h GLU 103 Cb 0.54 0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 29.21 1dby h GLU 103 CO 0.09 -0.13 0.46 1.57 -1.16 0.00 0.00 179.01 179.85 1dby h LYS 104 N -0.20 0.00 0.00 2.33 2.10 -1.43 0.33 116.57 119.70 1dby h LYS 104 Ca 0.17 0.00 -0.03 0.00 -2.00 0.00 0.00 60.65 58.79 1dby h LYS 104 Cb 0.55 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.87 1dby h LYS 104 CO -0.74 0.00 -0.45 1.88 -2.00 0.00 0.00 179.45 178.14 1dby h TYR 105 N 0.00 0.00 0.06 0.07 0.05 -1.02 -3.35 116.97 112.78 1dby h TYR 105 Ca 0.23 0.00 -0.38 0.00 0.05 0.00 0.00 58.73 58.63 1dby h TYR 105 Cb 1.16 0.00 -0.05 0.00 1.01 0.00 0.00 36.73 38.85 1dby h TYR 105 CO 0.00 0.14 -2.25 1.28 -1.05 0.00 0.00 178.16 176.28 1dby n LEU 106 N -3.00 2.74 0.00 3.88 4.77 0.88 -5.14 117.00 121.13 1dby n LEU 106 Ca 0.02 0.03 0.00 0.00 -0.03 0.00 0.00 56.01 56.03 1dby n LEU 106 Cb 0.60 -0.97 0.00 0.00 -2.33 0.00 0.00 43.42 40.72 1dby n LEU 106 CO 0.37 0.89 0.00 -0.46 -1.33 0.00 0.00 177.39 176.86