#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dby s GLU 2 N 0.00 1.30 0.44 2.12 -1.05 -1.26 -4.56 118.70 115.68 1dby s GLU 2 Ca 0.00 -0.72 -0.22 0.00 -0.15 0.00 0.00 54.97 53.88 1dby s GLU 2 Cb 0.00 0.44 -0.10 0.00 -0.44 0.00 0.00 34.13 34.04 1dby s GLU 2 CO 0.00 -0.60 1.00 0.00 0.95 0.00 0.00 175.26 176.61 1dby s ALA 3 N -3.37 3.00 -0.29 -0.84 0.00 -1.26 -4.70 121.76 114.29 1dby s ALA 3 Ca 0.12 0.55 -0.29 0.00 0.00 0.00 0.00 51.96 52.34 1dby s ALA 3 Cb -0.02 -3.21 -0.02 0.00 0.00 0.00 0.00 23.12 19.86 1dby s ALA 3 CO 0.03 -0.10 1.74 0.20 0.00 0.00 0.00 175.76 177.64 1dby s GLY 4 N -1.94 0.94 -0.34 0.00 0.00 -0.29 -4.84 107.32 100.86 1dby s GLY 4 Ca 0.62 0.35 -0.29 0.00 0.00 0.00 0.00 44.72 45.40 1dby s GLY 4 CO 0.19 3.19 1.10 0.00 0.00 0.00 0.00 173.10 177.58 1dby s ALA 5 N 6.29 3.44 0.34 3.20 0.00 -1.26 -0.31 121.76 133.46 1dby s ALA 5 Ca 0.77 -0.10 0.09 0.00 0.00 0.00 0.00 51.96 52.73 1dby s ALA 5 Cb -0.24 -3.71 -0.06 0.00 0.00 0.00 0.00 23.12 19.12 1dby s ALA 5 CO 0.33 -1.61 0.00 0.14 0.00 0.00 0.00 175.76 174.62 1dby s VAL 6 N 3.81 2.56 0.23 0.00 -7.23 -0.04 -4.95 120.40 114.79 1dby s VAL 6 Ca 0.47 -1.99 0.00 0.00 -1.81 0.00 0.00 61.98 58.65 1dby s VAL 6 Cb -0.12 -2.79 -0.04 0.00 0.56 0.00 0.00 36.38 33.99 1dby s VAL 6 CO 0.18 -0.19 0.13 0.21 -0.31 0.00 0.00 175.10 175.12 1dby s ASN 7 N -3.71 0.62 0.23 4.85 3.84 -1.26 -1.27 114.94 118.24 1dby s ASN 7 Ca 0.35 -1.42 -0.14 0.00 0.21 0.00 0.00 52.86 51.86 1dby s ASN 7 Cb 0.01 0.33 0.29 0.00 -0.55 0.00 0.00 41.25 41.33 1dby s ASN 7 CO 0.19 -0.83 1.46 -0.67 -2.79 0.00 0.00 177.10 174.46 1dby n ASP 8 N -0.45 -0.53 0.00 -4.21 2.03 -1.26 -0.26 116.55 111.87 1dby n ASP 8 Ca 0.02 1.63 0.00 0.00 0.52 0.00 0.00 54.79 56.96 1dby n ASP 8 Cb 0.66 -0.41 0.00 0.00 -0.72 0.00 0.00 41.12 40.65 1dby n ASP 8 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 1dby n ASP 9 N -5.43 0.00 -0.31 1.67 2.03 -1.26 -3.47 116.55 109.78 1dby n ASP 9 Ca 0.11 0.83 0.14 0.00 0.52 0.00 0.00 54.79 56.39 1dby n ASP 9 Cb 0.41 -0.33 0.37 0.00 -0.72 0.00 0.00 41.12 40.85 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 -0.93 5.18 1.35 -1.83 -1.70 112.91 115.73 1dby h THR 10 Ca 0.00 -0.23 0.26 0.00 -0.55 0.00 0.00 66.41 65.89 1dby h THR 10 Cb 0.00 0.00 -0.16 0.00 -1.73 0.00 0.00 68.15 66.26 1dby h THR 10 CO 0.00 0.12 0.17 0.15 -0.25 0.00 0.00 175.52 175.71 1dby h PHE 11 N 0.68 0.21 -0.07 4.73 3.57 -0.66 0.16 116.94 125.57 1dby h PHE 11 Ca 0.52 0.06 0.03 0.00 3.53 0.00 0.00 57.97 62.11 1dby h PHE 11 Cb 0.90 0.06 -0.04 0.00 2.79 0.00 0.00 35.95 39.66 1dby h PHE 11 CO -0.00 -0.33 -0.14 0.87 -2.23 0.00 0.00 178.31 176.47 1dby h LYS 12 N 0.10 -0.20 0.01 1.11 1.57 -1.36 0.38 116.57 118.18 1dby h LYS 12 Ca 0.59 0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 59.39 1dby h LYS 12 Cb 1.25 0.05 0.00 0.00 0.08 0.00 0.00 32.23 33.61 1dby h LYS 12 CO -0.78 -0.13 -0.01 -0.91 -0.57 0.00 0.00 179.45 177.05 1dby h ASN 13 N -0.21 -0.01 -0.07 0.86 -0.26 -1.22 -0.01 115.58 114.66 1dby h ASN 13 Ca 0.07 -0.72 -0.24 0.00 -0.56 0.00 0.00 56.30 54.85 1dby h ASN 13 Cb 0.31 0.00 0.01 0.00 -1.06 0.00 0.00 38.32 37.59 1dby h ASN 13 CO -0.19 0.73 -0.90 0.58 -1.06 0.00 0.00 177.43 176.59 1dby h VAL 14 N -0.77 1.28 0.00 2.81 2.07 -0.77 -3.35 116.25 117.53 1dby h VAL 14 Ca -0.00 -2.10 -0.16 0.00 0.82 0.00 0.00 66.70 65.26 1dby h VAL 14 Cb 0.73 2.16 -0.02 0.00 -1.52 0.00 0.00 31.29 32.64 1dby h VAL 14 CO 0.00 0.66 -1.35 0.52 0.02 0.00 0.00 177.57 177.42 1dby n VAL 15 N -3.89 1.17 0.22 2.57 0.31 0.11 -4.44 118.33 114.38 1dby n VAL 15 Ca -0.09 -0.02 -0.09 0.00 -0.01 0.00 0.00 64.34 64.13 1dby n VAL 15 Cb 0.81 -1.89 -0.04 0.00 -0.91 0.00 0.00 33.84 31.80 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 -0.63 -0.49 -4.07 7.52 3.38 -0.87 -3.24 115.31 116.91 1dby h LEU 16 Ca -0.24 0.02 -0.16 0.00 0.09 0.00 0.00 57.88 57.59 1dby h LEU 16 Cb 1.04 0.13 -0.06 0.00 0.09 0.00 0.00 40.66 41.85 1dby h LEU 16 CO -0.14 -0.29 -0.28 -0.62 0.09 0.00 0.00 178.44 177.20 1dby n GLU 17 N -3.90 1.75 -2.87 1.13 1.02 -0.03 -2.99 120.64 114.75 1dby n GLU 17 Ca -0.07 -0.86 -0.42 0.00 -0.02 0.00 0.00 57.16 55.80 1dby n GLU 17 Cb 0.23 -1.91 -0.04 0.00 -0.02 0.00 0.00 31.44 29.70 1dby n GLU 17 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 1dby s SER 18 N 2.11 6.93 -0.08 1.62 1.04 -1.22 -4.75 113.70 119.33 1dby s SER 18 Ca 0.57 1.14 -0.00 0.00 0.48 0.00 0.00 55.95 58.14 1dby s SER 18 Cb 0.27 -2.46 -0.00 0.00 0.10 0.00 0.00 66.02 63.94 1dby s SER 18 CO 0.00 -0.47 0.02 0.77 0.98 0.00 0.00 173.24 174.54 1dby h SER 19 N 7.47 -0.01 -4.18 7.02 4.64 -1.90 0.94 113.55 127.54 1dby h SER 19 Ca -0.26 0.00 -0.48 0.00 -0.47 0.00 0.00 61.79 60.59 1dby h SER 19 Cb 1.11 0.00 0.03 0.00 -0.31 0.00 0.00 62.40 63.23 1dby h SER 19 CO 0.86 0.39 0.37 0.68 -0.87 0.00 0.00 176.83 178.27 1dby s VAL 20 N -1.49 4.25 0.54 0.95 -7.23 -1.26 -3.80 120.40 112.36 1dby s VAL 20 Ca -0.00 1.12 -0.20 0.00 -1.81 0.00 0.00 61.98 61.09 1dby s VAL 20 Cb 0.00 -3.59 -0.06 0.00 0.56 0.00 0.00 36.38 33.29 1dby s VAL 20 CO 0.01 -0.57 1.13 -2.84 -0.31 0.00 0.00 175.10 172.51 1dby s PRO 21 N -3.95 3.38 -0.16 4.82 0.02 -1.26 -4.63 135.00 133.22 1dby s PRO 21 Ca 0.61 1.62 -0.07 0.00 0.02 0.00 0.00 61.00 63.17 1dby s PRO 21 Cb -0.12 -2.02 0.06 0.00 0.02 0.00 0.00 34.50 32.44 1dby s PRO 21 CO 0.31 -0.83 0.36 0.14 -0.33 0.00 0.00 177.00 176.64 1dby s VAL 22 N -1.76 -0.18 -0.23 3.83 -7.23 0.58 -2.77 120.40 112.64 1dby s VAL 22 Ca 0.72 0.14 -0.21 0.00 -1.81 0.00 0.00 61.98 60.82 1dby s VAL 22 Cb -0.24 -0.55 -0.02 0.00 0.56 0.00 0.00 36.38 36.13 1dby s VAL 22 CO 0.27 0.06 0.68 -0.22 -0.31 0.00 0.00 175.10 175.58 1dby s LEU 23 N 1.69 4.09 -0.26 1.32 0.20 -0.27 -0.60 118.68 124.85 1dby s LEU 23 Ca -0.07 0.83 -0.03 0.00 0.69 0.00 0.00 54.13 55.55 1dby s LEU 23 Cb -0.10 -2.95 0.02 0.00 -0.43 0.00 0.00 46.19 42.74 1dby s LEU 23 CO -0.11 -0.37 -0.02 0.54 -0.29 0.00 0.00 176.35 176.09 1dby s VAL 24 N 2.38 3.18 -0.13 1.68 0.11 0.55 -1.36 120.40 126.81 1dby s VAL 24 Ca 0.29 -0.94 -0.09 0.00 -2.93 0.00 0.00 61.98 58.31 1dby s VAL 24 Cb -0.16 -2.63 -0.04 0.00 -1.53 0.00 0.00 36.38 32.02 1dby s VAL 24 CO 0.09 0.16 0.16 -0.62 -3.33 0.00 0.00 175.10 171.56 1dby s ASP 25 N 1.37 6.38 -0.41 3.54 2.15 -1.19 -0.78 116.67 127.73 1dby s ASP 25 Ca 0.01 0.44 -0.23 0.00 0.43 0.00 0.00 52.55 53.20 1dby s ASP 25 Cb -0.17 -2.09 0.02 0.00 -0.30 0.00 0.00 42.92 40.38 1dby s ASP 25 CO -0.02 0.33 0.79 -0.36 -0.17 0.00 0.00 175.17 175.73 1dby s PHE 26 N -0.59 3.04 0.25 -5.34 0.40 0.17 -1.02 117.98 114.89 1dby s PHE 26 Ca 0.14 0.34 0.01 0.00 -0.60 0.00 0.00 56.93 56.81 1dby s PHE 26 Cb -0.12 -3.57 0.01 0.00 0.51 0.00 0.00 43.02 39.85 1dby s PHE 26 CO 0.03 -0.88 0.05 -2.67 0.70 0.00 0.00 175.22 172.44 1dby n TRP 27 N 6.61 0.18 -3.56 0.36 4.27 0.29 -3.34 117.44 122.26 1dby n TRP 27 Ca 0.03 -1.18 -0.10 0.00 -3.89 0.00 0.00 57.50 52.36 1dby n TRP 27 Cb 0.48 -0.17 -0.04 0.00 -1.36 0.00 0.00 31.31 30.22 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 -2.41 -1.92 0.28 -1.67 0.00 -1.26 -0.44 121.76 114.34 1dby s ALA 28 Ca 0.03 1.48 -0.01 0.00 0.00 0.00 0.00 51.96 53.46 1dby s ALA 28 Cb -0.00 -0.46 0.48 0.00 0.00 0.00 0.00 23.12 23.14 1dby s ALA 28 CO 0.02 -0.40 1.88 -1.35 0.00 0.00 0.00 175.76 175.91 1dby h PRO 29 N 2.40 1.06 0.00 0.00 0.11 -2.00 0.08 132.00 133.65 1dby h PRO 29 Ca -0.18 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.86 1dby h PRO 29 Cb 1.18 -0.24 0.00 0.00 0.11 0.00 0.00 31.00 32.05 1dby h PRO 29 CO 0.30 0.70 0.00 0.11 -0.21 0.00 0.00 178.00 178.91 1dby h TRP 30 N 1.10 0.00 -2.36 0.65 5.08 -2.03 -3.43 115.95 114.96 1dby h TRP 30 Ca 0.44 0.00 -0.53 0.00 1.08 0.00 0.00 58.89 59.88 1dby h TRP 30 Cb 0.26 0.00 -0.05 0.00 -3.00 0.00 0.00 29.16 26.36 1dby h TRP 30 CO -0.00 0.00 1.21 0.00 -1.28 0.00 0.00 178.44 178.37 1dby h GLY 32 N 14.55 -1.23 -0.13 0.00 0.00 -1.86 0.63 103.07 115.03 1dby h GLY 32 Ca -0.27 0.75 0.21 0.00 0.00 0.00 0.00 47.33 48.02 1dby h GLY 32 CO 1.20 -0.26 0.40 -2.55 0.00 0.00 0.00 176.54 175.33 1dby h PRO 33 N -0.30 0.42 0.03 4.80 0.11 -1.95 -1.08 132.00 134.03 1dby h PRO 33 Ca 0.06 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 66.14 1dby h PRO 33 Cb 0.46 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 31.47 1dby h PRO 33 CO -0.46 0.28 -0.01 0.00 -0.21 0.00 0.00 178.00 177.60 1dby h ARG 35 N -0.19 0.03 -0.12 0.00 3.08 0.15 0.12 114.38 117.45 1dby h ARG 35 Ca -0.00 -0.00 -0.11 0.00 0.07 0.00 0.00 59.98 59.93 1dby h ARG 35 Cb 0.18 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.21 1dby h ARG 35 CO 0.01 0.02 -0.42 -0.84 -1.07 0.00 0.00 179.97 177.66 1dby h ILE 36 N 0.03 1.31 0.00 2.04 -0.00 -1.11 -2.97 117.51 116.81 1dby h ILE 36 Ca 0.12 -1.56 -0.18 0.00 -0.00 0.00 0.00 64.86 63.23 1dby h ILE 36 Cb 0.17 1.69 -0.03 0.00 -0.00 0.00 0.00 36.82 38.65 1dby h ILE 36 CO -0.24 0.47 -0.90 0.16 -0.00 0.00 0.00 178.15 177.64 1dby h ILE 37 N 0.23 1.45 -0.98 0.16 3.07 -1.00 -3.40 117.51 117.05 1dby h ILE 37 Ca 0.02 -3.06 0.21 0.00 1.55 0.00 0.00 64.86 63.57 1dby h ILE 37 Cb 0.85 2.71 -0.19 0.00 -0.27 0.00 0.00 36.82 39.92 1dby h ILE 37 CO 0.07 0.82 -0.20 0.00 -1.05 0.00 0.00 178.15 177.79 1dby n ALA 38 N -2.32 0.28 -0.19 0.16 0.00 0.41 0.26 120.51 119.11 1dby n ALA 38 Ca -0.00 1.07 -0.01 0.00 0.00 0.00 0.00 53.44 54.50 1dby n ALA 38 Cb 0.89 -0.67 0.23 0.00 0.00 0.00 0.00 19.45 19.90 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 0.94 -0.15 0.00 0.11 -1.77 0.56 132.00 131.70 1dby h PRO 39 Ca 0.49 -0.09 -0.11 0.00 0.11 0.00 0.00 66.00 66.40 1dby h PRO 39 Cb 0.80 -0.19 0.00 0.00 0.11 0.00 0.00 31.00 31.72 1dby h PRO 39 CO -0.99 0.68 -0.32 0.28 -0.21 0.00 0.00 178.00 177.44 1dby h VAL 40 N 0.96 1.36 -0.12 3.15 2.07 -0.45 0.10 116.25 123.31 1dby h VAL 40 Ca 0.25 -1.58 0.05 0.00 0.82 0.00 0.00 66.70 66.23 1dby h VAL 40 Cb 0.00 1.99 -0.06 0.00 -1.52 0.00 0.00 31.29 31.71 1dby h VAL 40 CO -0.04 0.47 -0.23 0.58 0.02 0.00 0.00 177.57 178.37 1dby h VAL 41 N 0.11 0.44 -0.08 2.57 2.07 -0.27 0.45 116.25 121.54 1dby h VAL 41 Ca 0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.53 1dby h VAL 41 Cb 0.92 0.44 -0.00 0.00 -1.52 0.00 0.00 31.29 31.12 1dby h VAL 41 CO 0.07 0.00 0.04 0.44 0.02 0.00 0.00 177.57 178.15 1dby h ASP 42 N -0.30 0.07 -0.64 0.57 3.32 -0.82 -0.87 116.42 117.76 1dby h ASP 42 Ca 0.10 0.00 0.01 0.00 0.02 0.00 0.00 57.03 57.15 1dby h ASP 42 Cb 0.44 -0.02 -0.03 0.00 0.22 0.00 0.00 39.33 39.94 1dby h ASP 42 CO -0.29 0.06 0.42 1.05 -1.72 0.00 0.00 179.24 178.75 1dby h GLU 43 N 0.09 0.85 -0.88 3.56 4.11 -0.47 0.37 114.58 122.21 1dby h GLU 43 Ca 0.03 -0.05 0.04 0.00 0.07 0.00 0.00 59.36 59.45 1dby h GLU 43 Cb -0.00 -0.19 -0.06 0.00 0.50 0.00 0.00 28.75 29.00 1dby h GLU 43 CO -0.01 0.56 0.56 0.82 0.07 0.00 0.00 179.01 181.01 1dby h ILE 44 N 0.87 1.11 -0.30 -1.06 2.04 -0.60 0.33 117.51 119.90 1dby h ILE 44 Ca 0.23 -0.36 0.04 0.00 1.00 0.00 0.00 64.86 65.77 1dby h ILE 44 Cb -0.10 -0.05 -0.04 0.00 -0.74 0.00 0.00 36.82 35.90 1dby h ILE 44 CO -0.05 0.19 0.05 0.00 0.00 0.00 0.00 178.15 178.34 1dby h ALA 45 N 1.38 0.30 -0.74 1.87 0.00 -0.19 -1.66 119.26 120.21 1dby h ALA 45 Ca 0.36 0.06 0.13 0.00 0.00 0.00 0.00 54.91 55.46 1dby h ALA 45 Cb 0.07 0.08 -0.09 0.00 0.00 0.00 0.00 17.79 17.85 1dby h ALA 45 CO -0.14 -0.36 0.31 0.78 0.00 0.00 0.00 179.25 179.84 1dby h GLY 46 N 0.15 1.12 0.86 0.00 0.00 0.13 -2.58 103.07 102.76 1dby h GLY 46 Ca 0.14 -0.16 -0.01 0.00 0.00 0.00 0.00 47.33 47.30 1dby h GLY 46 CO -0.19 -0.06 -0.21 0.83 0.00 0.00 0.00 176.54 176.91 1dby h GLU 47 N 0.48 -0.48 -2.32 4.80 4.39 0.38 -3.06 114.58 118.78 1dby h GLU 47 Ca 0.40 0.03 -0.42 0.00 0.34 0.00 0.00 59.36 59.71 1dby h GLU 47 Cb 0.56 0.11 -0.07 0.00 -0.10 0.00 0.00 28.75 29.25 1dby h GLU 47 CO -0.37 -0.32 1.12 0.66 -1.16 0.00 0.00 179.01 178.94 1dby n TYR 48 N -5.33 1.17 0.29 4.33 4.01 -0.71 -4.33 117.16 116.59 1dby n TYR 48 Ca -0.09 -2.12 0.18 0.00 -0.16 0.00 0.00 57.90 55.70 1dby n TYR 48 Cb 0.24 -1.81 0.88 0.00 -0.31 0.00 0.00 39.34 38.34 1dby n TYR 48 CO 0.00 0.00 0.00 -0.22 -0.46 0.00 0.00 176.86 176.18 1dby h LYS 49 N 3.67 0.00 0.00 -0.72 3.64 -1.57 -2.75 116.57 118.85 1dby h LYS 49 Ca 0.45 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.83 1dby h LYS 49 Cb 0.94 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.76 1dby h LYS 49 CO 0.87 0.04 0.00 -0.25 -2.27 0.00 0.00 179.45 177.84 1dby n ASP 50 N -3.27 0.00 -3.17 4.20 9.92 -1.26 -4.96 116.55 118.01 1dby n ASP 50 Ca -0.01 0.00 0.04 0.00 -0.53 0.00 0.00 54.79 54.29 1dby n ASP 50 Cb 0.20 0.00 -0.01 0.00 -0.64 0.00 0.00 41.12 40.67 1dby n ASP 50 CO 0.00 0.00 0.00 -0.54 0.13 0.00 0.00 177.20 176.79 1dby s LYS 51 N 0.00 0.54 0.27 -1.24 -0.14 -1.13 -5.17 119.74 112.87 1dby s LYS 51 Ca 0.00 0.97 -0.03 0.00 -1.36 0.00 0.00 55.97 55.54 1dby s LYS 51 Cb 0.00 0.54 0.01 0.00 -1.68 0.00 0.00 37.83 36.70 1dby s LYS 51 CO 0.00 -0.57 0.42 -0.11 -0.76 0.00 0.00 175.35 174.33 1dby n LEU 52 N 5.43 0.00 -3.51 3.17 7.94 -1.05 -4.91 117.00 124.07 1dby n LEU 52 Ca -0.02 -2.13 -0.38 0.00 -1.11 0.00 0.00 56.01 52.37 1dby n LEU 52 Cb 0.51 2.14 -0.03 0.00 0.53 0.00 0.00 43.42 46.57 1dby n LEU 52 CO 0.02 -0.53 2.57 2.29 -1.11 0.00 0.00 177.39 180.63 1dby n LYS 53 N -0.43 2.42 -3.76 1.96 0.00 -1.11 -4.93 118.16 112.31 1dby n LYS 53 Ca -0.01 -2.06 -0.28 0.00 -0.00 0.00 0.00 58.31 55.95 1dby n LYS 53 Cb 0.45 -2.92 -0.16 0.00 -0.00 0.00 0.00 35.03 32.39 1dby n LYS 53 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1dby s VAL 55 N 1.79 0.10 -0.22 0.00 1.01 -0.46 -1.14 120.40 121.48 1dby s VAL 55 Ca -0.01 -1.38 -0.08 0.00 0.00 0.00 0.00 61.98 60.50 1dby s VAL 55 Cb -0.17 -1.69 0.09 0.00 0.00 0.00 0.00 36.38 34.61 1dby s VAL 55 CO -0.08 -0.45 0.47 -1.59 0.00 0.00 0.00 175.10 173.45 1dby s LYS 56 N -3.94 0.39 -0.27 2.72 -2.85 0.57 -3.14 119.74 113.22 1dby s LYS 56 Ca 0.14 1.09 -0.21 0.00 -1.00 0.00 0.00 55.97 55.99 1dby s LYS 56 Cb 0.04 0.38 -0.01 0.00 -2.06 0.00 0.00 37.83 36.18 1dby s LYS 56 CO -0.04 -0.23 0.66 -1.17 0.10 0.00 0.00 175.35 174.68 1dby s LEU 57 N 2.49 4.09 -0.50 2.77 1.98 -0.19 -0.86 118.68 128.45 1dby s LEU 57 Ca -0.04 0.65 -0.28 0.00 -2.89 0.00 0.00 54.13 51.57 1dby s LEU 57 Cb -0.11 -2.89 -0.00 0.00 0.66 0.00 0.00 46.19 43.84 1dby s LEU 57 CO -0.14 -0.44 1.62 0.21 -1.89 0.00 0.00 176.35 175.71 1dby s ASN 58 N 1.53 5.88 0.30 3.68 3.84 -0.40 -0.55 114.94 129.22 1dby s ASN 58 Ca 0.27 0.62 0.08 0.00 0.21 0.00 0.00 52.86 54.04 1dby s ASN 58 Cb -0.15 -2.54 0.46 0.00 -0.55 0.00 0.00 41.25 38.48 1dby s ASN 58 CO 0.10 -1.84 1.69 0.74 -2.79 0.00 0.00 177.10 175.00 1dby h THR 59 N 6.62 1.33 -0.57 -5.21 2.02 -1.02 0.35 112.91 116.43 1dby h THR 59 Ca -0.28 -1.61 -0.09 0.00 0.77 0.00 0.00 66.41 65.19 1dby h THR 59 Cb 1.13 1.78 -0.02 0.00 -1.74 0.00 0.00 68.15 69.30 1dby h THR 59 CO 1.14 0.47 -0.01 -0.78 0.37 0.00 0.00 175.52 176.71 1dby h ASP 60 N 0.14 0.98 0.92 4.18 1.82 -1.89 -0.53 116.42 122.04 1dby h ASP 60 Ca 0.01 -0.28 -0.16 0.00 -0.39 0.00 0.00 57.03 56.21 1dby h ASP 60 Cb 0.86 -0.26 -0.03 0.00 0.68 0.00 0.00 39.33 40.58 1dby h ASP 60 CO 0.07 1.04 -1.16 -0.08 -1.61 0.00 0.00 179.24 177.50 1dby h GLU 61 N 0.92 0.00 -1.86 0.28 4.57 -1.88 -3.39 114.58 113.22 1dby h GLU 61 Ca 0.16 0.00 -0.54 0.00 -1.18 0.00 0.00 59.36 57.80 1dby h GLU 61 Cb 0.55 0.00 -0.41 0.00 -0.16 0.00 0.00 28.75 28.73 1dby h GLU 61 CO 0.03 0.40 -0.84 0.45 -1.18 0.00 0.00 179.01 177.87 1dby n SER 62 N -3.02 3.50 0.16 1.04 2.88 0.12 -4.75 113.62 113.55 1dby n SER 62 Ca -0.06 -3.45 0.04 0.00 -1.33 0.00 0.00 58.87 54.07 1dby n SER 62 Cb 0.83 -0.54 0.45 0.00 -0.75 0.00 0.00 64.21 64.20 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 2.87 0.14 0.00 -1.46 0.13 -1.30 -3.23 132.00 129.15 1dby h PRO 63 Ca 0.14 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 1dby h PRO 63 Cb 0.79 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 31.90 1dby h PRO 63 CO 0.73 0.28 0.00 0.09 -0.23 0.00 0.00 178.00 178.87 1dby n ASN 64 N -4.32 0.00 -0.17 1.44 4.13 -1.26 0.06 115.26 115.15 1dby n ASN 64 Ca -0.01 0.74 -0.02 0.00 1.68 0.00 0.00 54.58 56.97 1dby n ASN 64 Cb 0.24 -0.24 0.07 0.00 -1.54 0.00 0.00 39.78 38.31 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 0.62 -0.91 2.41 2.07 -1.97 0.66 116.25 119.13 1dby h VAL 65 Ca 0.00 -0.05 0.11 0.00 0.82 0.00 0.00 66.70 67.58 1dby h VAL 65 Cb 0.00 0.46 -0.08 0.00 -1.52 0.00 0.00 31.29 30.15 1dby h VAL 65 CO 0.00 0.03 0.55 0.00 0.02 0.00 0.00 177.57 178.16 1dby h ALA 66 N 1.45 1.35 -0.16 1.67 0.00 -1.50 -0.20 119.26 121.86 1dby h ALA 66 Ca 0.26 0.03 -0.15 0.00 0.00 0.00 0.00 54.91 55.06 1dby h ALA 66 Cb 0.39 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1dby h ALA 66 CO -0.41 0.14 -0.47 0.77 0.00 0.00 0.00 179.25 179.29 1dby h SER 67 N 0.88 0.69 -0.83 0.00 0.02 0.12 0.24 113.55 114.68 1dby h SER 67 Ca 0.45 -0.59 0.08 0.00 -0.84 0.00 0.00 61.79 60.89 1dby h SER 67 Cb 0.45 -0.20 -0.07 0.00 0.14 0.00 0.00 62.40 62.72 1dby h SER 67 CO -0.27 1.16 0.49 -0.33 -1.14 0.00 0.00 176.83 176.75 1dby h GLU 68 N 0.26 0.83 0.10 3.45 4.39 -0.19 -1.97 114.58 121.46 1dby h GLU 68 Ca -0.01 -0.05 -0.27 0.00 0.34 0.00 0.00 59.36 59.37 1dby h GLU 68 Cb 1.08 -0.19 0.01 0.00 -0.10 0.00 0.00 28.75 29.56 1dby h GLU 68 CO 0.10 0.55 -1.17 1.88 -1.16 0.00 0.00 179.01 179.21 1dby h TYR 69 N 0.86 0.65 -0.38 4.33 0.05 -1.04 -3.49 116.97 117.96 1dby h TYR 69 Ca 0.38 -0.43 0.00 0.00 0.05 0.00 0.00 58.73 58.74 1dby h TYR 69 Cb 0.28 -0.05 0.00 0.00 1.01 0.00 0.00 36.73 37.97 1dby h TYR 69 CO -0.05 1.30 0.00 0.41 -1.05 0.00 0.00 178.16 178.77 1dby n GLY 70 N 1.35 0.71 3.71 3.88 0.00 0.64 -5.06 105.19 110.41 1dby n GLY 70 Ca -0.09 -0.14 -0.42 0.00 0.00 0.00 0.00 46.02 45.37 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 -1.82 4.12 0.05 -0.61 1.01 0.02 -4.96 121.20 119.03 1dby s ILE 71 Ca 0.00 1.53 -0.13 0.00 0.00 0.00 0.00 60.65 62.05 1dby s ILE 71 Cb 0.00 -3.98 -0.31 0.00 0.01 0.00 0.00 42.46 38.18 1dby s ILE 71 CO 0.00 0.12 1.08 -0.09 0.00 0.00 0.00 174.94 176.05 1dby h ARG 72 N 6.78 0.52 0.00 2.79 9.65 -1.97 -3.46 114.38 128.68 1dby h ARG 72 Ca -0.42 -0.79 0.02 0.00 -1.10 0.00 0.00 59.98 57.69 1dby h ARG 72 Cb 1.21 0.28 -0.00 0.00 -1.39 0.00 0.00 29.97 30.07 1dby h ARG 72 CO 0.80 1.37 0.15 0.45 2.80 0.00 0.00 179.97 185.54 1dby n SER 73 N -3.71 -0.74 -4.26 -3.80 2.88 -1.26 -5.19 113.62 97.55 1dby n SER 73 Ca -0.14 -1.47 -0.17 0.00 -1.33 0.00 0.00 58.87 55.76 1dby n SER 73 Cb 1.04 1.22 -0.11 0.00 -0.75 0.00 0.00 64.21 65.61 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 -2.56 1.35 0.76 2.46 -4.36 -1.26 -4.52 121.20 113.07 1dby s ILE 74 Ca 0.07 -1.84 -0.12 0.00 -0.26 0.00 0.00 60.65 58.49 1dby s ILE 74 Cb -0.01 -1.65 0.05 0.00 1.25 0.00 0.00 42.46 42.10 1dby s ILE 74 CO 0.03 -0.50 1.12 -2.16 0.24 0.00 0.00 174.94 173.68 1dby s PRO 75 N -2.98 2.17 -0.22 0.37 0.04 -1.26 -5.02 135.00 128.10 1dby s PRO 75 Ca 0.12 1.39 -0.26 0.00 0.04 0.00 0.00 61.00 62.29 1dby s PRO 75 Cb -0.03 -1.87 0.08 0.00 0.04 0.00 0.00 34.50 32.71 1dby s PRO 75 CO 0.03 -1.74 0.75 0.99 0.04 0.00 0.00 177.00 177.07 1dby s THR 76 N -2.56 0.00 -1.61 1.26 2.01 -1.21 -4.54 115.64 108.99 1dby s THR 76 Ca 0.66 0.00 0.00 0.00 0.31 0.00 0.00 61.69 62.66 1dby s THR 76 Cb -0.21 -1.00 0.00 0.00 0.01 0.00 0.00 72.50 71.30 1dby s THR 76 CO 0.51 0.00 0.61 2.30 -0.69 0.00 0.00 174.62 177.35 1dby n ILE 77 N 2.23 0.00 -2.75 1.82 -5.35 -0.86 0.47 119.36 114.92 1dby n ILE 77 Ca -0.15 0.00 -0.42 0.00 -0.27 0.00 0.00 62.75 61.91 1dby n ILE 77 Cb 0.56 -0.22 -0.03 0.00 -1.74 0.00 0.00 39.64 38.20 1dby n ILE 77 CO 0.00 0.00 0.00 -0.04 -1.76 0.00 0.00 176.55 174.75 1dby s MET 78 N -1.61 4.50 -0.13 6.28 1.00 0.04 -0.84 119.30 128.55 1dby s MET 78 Ca 0.00 1.34 -0.05 0.00 0.00 0.00 0.00 55.69 56.98 1dby s MET 78 Cb 0.00 -3.48 -0.04 0.00 0.00 0.00 0.00 34.83 31.31 1dby s MET 78 CO 0.00 -0.11 0.07 0.08 0.00 0.00 0.00 175.02 175.05 1dby s VAL 79 N 1.28 4.86 0.18 -6.03 1.01 0.34 -0.33 120.40 121.72 1dby s VAL 79 Ca 0.49 -0.03 0.06 0.00 0.00 0.00 0.00 61.98 62.50 1dby s VAL 79 Cb -0.20 -3.11 -0.05 0.00 0.00 0.00 0.00 36.38 33.02 1dby s VAL 79 CO 0.24 0.57 -0.11 -0.36 0.00 0.00 0.00 175.10 175.44 1dby s PHE 80 N -0.57 1.49 0.03 5.22 0.40 0.23 -0.22 117.98 124.57 1dby s PHE 80 Ca 0.11 -0.69 -0.29 0.00 -0.60 0.00 0.00 56.93 55.46 1dby s PHE 80 Cb -0.12 -0.74 0.10 0.00 0.51 0.00 0.00 43.02 42.77 1dby s PHE 80 CO 0.02 0.19 1.11 -1.59 0.70 0.00 0.00 175.22 175.65 1dby s LYS 81 N -3.71 0.74 -1.26 0.44 0.00 -0.04 -0.31 119.74 115.60 1dby s LYS 81 Ca 0.20 -0.39 -0.06 0.00 0.00 0.00 0.00 55.97 55.72 1dby s LYS 81 Cb 0.02 0.27 0.05 0.00 0.00 0.00 0.00 37.83 38.16 1dby s LYS 81 CO 0.04 -0.34 0.39 0.41 0.00 0.00 0.00 175.35 175.85 1dby n GLY 82 N -0.41 -0.49 2.47 0.59 0.00 -0.31 -0.84 105.19 106.19 1dby n GLY 82 Ca -0.07 0.07 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 -1.13 0.27 3.44 -0.02 0.00 0.17 -4.93 105.19 102.99 1dby n GLY 83 Ca -0.06 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.86 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 -0.91 1.38 0.55 1.61 -0.14 -0.02 -4.34 119.74 117.86 1dby s LYS 84 Ca 0.00 -1.34 -0.20 0.00 -1.36 0.00 0.00 55.97 53.07 1dby s LYS 84 Cb 0.00 0.40 -0.05 0.00 -1.68 0.00 0.00 37.83 36.50 1dby s LYS 84 CO 0.00 -0.53 1.17 0.21 -0.76 0.00 0.00 175.35 175.44 1dby s LYS 85 N -4.05 3.26 0.00 1.68 2.47 -1.26 -0.86 119.74 120.98 1dby s LYS 85 Ca 0.26 1.74 0.00 0.00 -1.56 0.00 0.00 55.97 56.41 1dby s LYS 85 Cb 0.02 -2.04 0.00 0.00 -1.46 0.00 0.00 37.83 34.35 1dby s LYS 85 CO 0.08 -0.96 0.00 0.00 0.16 0.00 0.00 175.35 174.64 1dby s GLU 87 N 0.00 1.83 -0.12 0.00 0.41 -1.08 -4.88 118.70 114.86 1dby s GLU 87 Ca 0.00 -0.90 -0.04 0.00 -0.41 0.00 0.00 54.97 53.62 1dby s GLU 87 Cb 0.00 -2.31 0.06 0.00 -1.78 0.00 0.00 34.13 30.10 1dby s GLU 87 CO 0.00 -1.35 0.16 0.95 -0.49 0.00 0.00 175.26 174.53 1dby s THR 88 N -3.13 -0.24 -0.17 3.63 -4.23 -1.26 -0.50 115.64 109.74 1dby s THR 88 Ca 0.64 0.16 0.01 0.00 -1.18 0.00 0.00 61.69 61.33 1dby s THR 88 Cb -0.07 -0.43 0.01 0.00 1.34 0.00 0.00 72.50 73.36 1dby s THR 88 CO 0.44 -0.00 -0.19 -0.63 -0.54 0.00 0.00 174.62 173.70 1dby s ILE 89 N 2.27 2.24 0.46 2.99 1.01 -0.02 -4.98 121.20 125.17 1dby s ILE 89 Ca 0.04 -0.90 -0.11 0.00 0.00 0.00 0.00 60.65 59.68 1dby s ILE 89 Cb -0.14 -1.93 -0.06 0.00 0.01 0.00 0.00 42.46 40.34 1dby s ILE 89 CO -0.08 0.53 0.85 -0.63 0.00 0.00 0.00 174.94 175.61 1dby s ILE 90 N 1.07 4.74 0.00 2.92 1.01 -1.26 -2.02 121.20 127.65 1dby s ILE 90 Ca -0.01 0.73 0.00 0.00 0.00 0.00 0.00 60.65 61.37 1dby s ILE 90 Cb -0.14 -3.76 0.00 0.00 0.01 0.00 0.00 42.46 38.56 1dby s ILE 90 CO -0.07 -0.67 0.00 0.61 0.00 0.00 0.00 174.94 174.81 1dby n GLY 91 N -1.65 -1.13 4.71 6.18 0.00 -1.26 -4.44 105.19 107.60 1dby n GLY 91 Ca 0.03 -1.50 0.00 0.00 0.00 0.00 0.00 46.02 44.55 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 -3.00 0.00 -1.79 4.61 0.00 -1.26 -4.95 120.51 114.12 1dby n ALA 92 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.11 1dby n ALA 92 Cb 0.00 -0.13 -0.03 0.00 0.00 0.00 0.00 19.45 19.29 1dby n ALA 92 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1dby s VAL 93 N -0.63 4.19 0.14 0.00 1.01 -1.26 -5.00 120.40 118.84 1dby s VAL 93 Ca 0.00 1.16 -0.31 0.00 0.00 0.00 0.00 61.98 62.83 1dby s VAL 93 Cb 0.00 -3.56 -0.08 0.00 0.00 0.00 0.00 36.38 32.74 1dby s VAL 93 CO 0.00 -0.49 1.32 -2.84 0.00 0.00 0.00 175.10 173.09 1dby s PRO 94 N -3.75 4.37 0.54 2.72 0.02 -1.26 -4.89 135.00 132.75 1dby s PRO 94 Ca 0.62 2.01 0.22 0.00 0.02 0.00 0.00 61.00 63.86 1dby s PRO 94 Cb -0.12 -3.25 1.40 0.00 0.02 0.00 0.00 34.50 32.55 1dby s PRO 94 CO 0.27 -0.33 2.10 0.87 -0.33 0.00 0.00 177.00 179.59 1dby h LYS 95 N 6.24 0.00 -1.03 5.54 1.79 -2.00 -0.36 116.57 126.76 1dby h LYS 95 Ca -0.43 0.00 0.26 0.00 -2.18 0.00 0.00 60.65 58.30 1dby h LYS 95 Cb 1.21 0.00 -0.12 0.00 -1.58 0.00 0.00 32.23 31.75 1dby h LYS 95 CO 0.82 0.00 0.63 0.00 -1.08 0.00 0.00 179.45 179.82 1dby h ALA 96 N 1.89 1.98 0.20 3.86 0.00 -1.99 0.25 119.26 125.44 1dby h ALA 96 Ca 0.09 0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 1dby h ALA 96 Cb 0.39 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1dby h ALA 96 CO -0.00 -0.45 -0.09 1.15 0.00 0.00 0.00 179.25 179.86 1dby h THR 97 N 0.49 0.81 -0.09 0.00 2.02 -1.43 -2.05 112.91 112.65 1dby h THR 97 Ca 0.64 -0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.82 1dby h THR 97 Cb 1.39 0.81 -0.00 0.00 -1.74 0.00 0.00 68.15 68.61 1dby h THR 97 CO -0.42 0.00 0.05 0.40 0.37 0.00 0.00 175.52 175.92 1dby h ILE 98 N -0.26 1.05 -0.06 3.11 2.04 -0.91 0.16 117.51 122.65 1dby h ILE 98 Ca -0.03 -0.13 0.04 0.00 1.00 0.00 0.00 64.86 65.74 1dby h ILE 98 Cb 0.20 0.98 -0.06 0.00 -0.74 0.00 0.00 36.82 37.20 1dby h ILE 98 CO 0.04 0.04 -0.32 0.58 0.00 0.00 0.00 178.15 178.50 1dby h VAL 99 N 0.09 0.29 -0.09 1.67 2.07 -0.59 0.12 116.25 119.81 1dby h VAL 99 Ca 0.03 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.57 1dby h VAL 99 Cb 0.03 0.29 -0.02 0.00 -1.52 0.00 0.00 31.29 30.07 1dby h VAL 99 CO -0.01 0.00 -0.03 1.56 0.02 0.00 0.00 177.57 179.11 1dby h GLN 100 N -0.44 -0.02 -0.91 1.57 4.20 -1.19 0.73 115.11 119.05 1dby h GLN 100 Ca 0.07 0.00 0.09 0.00 0.06 0.00 0.00 58.65 58.88 1dby h GLN 100 Cb 0.56 0.00 -0.07 0.00 0.30 0.00 0.00 27.48 28.27 1dby h GLN 100 CO -0.30 -0.01 0.55 1.15 -0.67 0.00 0.00 178.83 179.55 1dby h THR 101 N -0.02 0.96 0.12 -0.54 2.02 -0.32 -0.45 112.91 114.68 1dby h THR 101 Ca 0.05 -0.32 -0.17 0.00 0.77 0.00 0.00 66.41 66.74 1dby h THR 101 Cb 0.09 -0.06 0.02 0.00 -1.74 0.00 0.00 68.15 66.46 1dby h THR 101 CO -0.10 0.17 -0.77 1.62 0.37 0.00 0.00 175.52 176.80 1dby h VAL 102 N 0.93 1.50 -0.78 3.16 3.04 -0.53 -3.32 116.25 120.25 1dby h VAL 102 Ca 0.43 -2.50 0.14 0.00 -1.01 0.00 0.00 66.70 63.76 1dby h VAL 102 Cb 0.34 3.17 -0.05 0.00 -2.01 0.00 0.00 31.29 32.74 1dby h VAL 102 CO -0.23 0.70 0.51 -0.33 -1.01 0.00 0.00 177.57 177.21 1dby h GLU 103 N -0.46 0.49 -0.73 4.17 5.08 -0.60 0.21 114.58 122.74 1dby h GLU 103 Ca -0.14 -0.03 0.14 0.00 -1.00 0.00 0.00 59.36 58.33 1dby h GLU 103 Cb 1.57 -0.11 -0.14 0.00 0.50 0.00 0.00 28.75 30.57 1dby h GLU 103 CO 0.12 0.32 -0.23 -0.22 -1.00 0.00 0.00 179.01 178.00 1dby h LYS 104 N 0.50 -0.03 -2.02 2.33 3.64 -1.18 -2.29 116.57 117.53 1dby h LYS 104 Ca 0.38 0.00 -0.24 0.00 -1.27 0.00 0.00 60.65 59.52 1dby h LYS 104 Cb 0.77 0.01 -0.08 0.00 -0.41 0.00 0.00 32.23 32.51 1dby h LYS 104 CO -0.14 -0.02 -0.21 0.66 -2.27 0.00 0.00 179.45 177.47 1dby n TYR 105 N -5.48 0.25 -3.23 1.91 4.01 0.74 -4.51 117.16 110.85 1dby n TYR 105 Ca 0.09 -1.59 -0.02 0.00 -0.16 0.00 0.00 57.90 56.22 1dby n TYR 105 Cb 0.38 -1.59 -0.03 0.00 -0.31 0.00 0.00 39.34 37.79 1dby n TYR 105 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 1dby s LEU 106 N -0.29 -1.18 0.00 7.72 1.43 -0.86 -5.06 118.68 120.44 1dby s LEU 106 Ca 0.66 0.09 0.00 0.00 -1.03 0.00 0.00 54.13 53.85 1dby s LEU 106 Cb 0.33 1.61 0.00 0.00 0.03 0.00 0.00 46.19 48.16 1dby s LEU 106 CO -0.03 -0.31 0.00 -3.20 0.23 0.00 0.00 176.35 173.04