#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 0.56 -6.65 2.12 5.08 -1.95 -3.40 114.58 110.34 1dby h GLU 2 Ca 0.00 -0.24 -0.52 0.00 -1.00 0.00 0.00 59.36 57.61 1dby h GLU 2 Cb 0.00 -0.02 0.01 0.00 0.50 0.00 0.00 28.75 29.24 1dby h GLU 2 CO 0.00 0.79 0.49 0.00 -1.00 0.00 0.00 179.01 179.29 1dby s ALA 3 N -4.65 3.38 0.95 3.43 0.00 -1.26 -4.68 121.76 118.94 1dby s ALA 3 Ca -0.13 0.83 -0.12 0.00 0.00 0.00 0.00 51.96 52.54 1dby s ALA 3 Cb 0.08 -3.36 0.16 0.00 0.00 0.00 0.00 23.12 20.00 1dby s ALA 3 CO 0.78 -0.24 1.09 0.20 0.00 0.00 0.00 175.76 177.59 1dby s GLY 4 N -0.03 1.60 -0.16 0.00 0.00 -0.25 -4.76 107.32 103.71 1dby s GLY 4 Ca 0.50 -0.09 -0.02 0.00 0.00 0.00 0.00 44.72 45.11 1dby s GLY 4 CO 0.35 0.45 -0.08 0.00 0.00 0.00 0.00 173.10 173.81 1dby s ALA 5 N -2.86 2.76 0.24 3.20 0.00 -1.26 -0.27 121.76 123.57 1dby s ALA 5 Ca 0.65 -0.96 0.05 0.00 0.00 0.00 0.00 51.96 51.70 1dby s ALA 5 Cb -0.19 -1.44 -0.05 0.00 0.00 0.00 0.00 23.12 21.44 1dby s ALA 5 CO 0.58 0.04 -0.04 0.14 0.00 0.00 0.00 175.76 176.48 1dby s VAL 6 N 0.69 1.35 0.36 0.00 -7.23 -0.08 -4.91 120.40 110.59 1dby s VAL 6 Ca -0.04 -2.09 -0.02 0.00 -1.81 0.00 0.00 61.98 58.02 1dby s VAL 6 Cb -0.15 -2.33 0.01 0.00 0.56 0.00 0.00 36.38 34.47 1dby s VAL 6 CO 0.02 -0.37 0.51 0.20 -0.31 0.00 0.00 175.10 175.16 1dby s ASN 7 N -3.35 1.00 0.16 4.85 -0.87 -1.26 -2.86 114.94 112.61 1dby s ASN 7 Ca 0.28 -1.53 -0.27 0.00 -1.57 0.00 0.00 52.86 49.76 1dby s ASN 7 Cb 0.04 0.70 -0.02 0.00 -0.02 0.00 0.00 41.25 41.95 1dby s ASN 7 CO 0.09 -1.37 1.47 -0.67 -2.57 0.00 0.00 177.10 174.05 1dby n ASP 8 N -1.58 -0.95 0.04 -1.22 -0.08 -1.26 -0.41 116.55 111.10 1dby n ASP 8 Ca 0.00 1.69 -0.02 0.00 -1.51 0.00 0.00 54.79 54.96 1dby n ASP 8 Cb 0.61 -0.25 -0.01 0.00 2.34 0.00 0.00 41.12 43.82 1dby n ASP 8 CO 0.00 0.00 0.00 -0.78 0.12 0.00 0.00 177.20 176.54 1dby h ASP 9 N 0.00 -0.09 -0.99 1.67 3.58 -1.99 -3.29 116.42 115.31 1dby h ASP 9 Ca 0.18 0.00 0.19 0.00 0.42 0.00 0.00 57.03 57.82 1dby h ASP 9 Cb 0.42 0.02 -0.10 0.00 1.72 0.00 0.00 39.33 41.40 1dby h ASP 9 CO -0.90 -0.07 0.61 0.71 -2.88 0.00 0.00 179.24 176.72 1dby h THR 10 N -0.12 0.72 -0.81 2.25 1.35 -1.90 -0.88 112.91 113.53 1dby h THR 10 Ca -0.01 -0.25 0.18 0.00 -0.55 0.00 0.00 66.41 65.79 1dby h THR 10 Cb 0.09 -0.06 -0.15 0.00 -1.73 0.00 0.00 68.15 66.30 1dby h THR 10 CO 0.02 0.13 -0.06 0.15 -0.25 0.00 0.00 175.52 175.51 1dby h PHE 11 N 0.72 -0.17 -0.42 4.73 3.57 -0.80 0.17 116.94 124.74 1dby h PHE 11 Ca 0.56 0.06 0.09 0.00 3.53 0.00 0.00 57.97 62.21 1dby h PHE 11 Cb 0.93 0.20 -0.09 0.00 2.79 0.00 0.00 35.95 39.78 1dby h PHE 11 CO -0.00 -0.30 -0.17 0.87 -2.23 0.00 0.00 178.31 176.47 1dby h LYS 12 N 0.06 -0.08 0.19 1.11 1.57 -1.23 0.33 116.57 118.51 1dby h LYS 12 Ca 0.43 0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 59.21 1dby h LYS 12 Cb 0.76 0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.09 1dby h LYS 12 CO -0.75 -0.06 -0.09 -0.91 -0.57 0.00 0.00 179.45 177.07 1dby h ASN 13 N -0.09 -0.21 0.55 0.86 -0.26 -1.21 0.88 115.58 116.10 1dby h ASN 13 Ca 0.20 -0.22 -0.03 0.00 -0.56 0.00 0.00 56.30 55.70 1dby h ASN 13 Cb 0.40 0.05 -0.00 0.00 -1.06 0.00 0.00 38.32 37.71 1dby h ASN 13 CO -0.48 0.33 -0.14 0.58 -1.06 0.00 0.00 177.43 176.67 1dby h VAL 14 N -0.99 0.49 0.00 2.81 2.07 -0.70 -3.09 116.25 116.85 1dby h VAL 14 Ca -0.03 -0.67 0.00 0.00 0.82 0.00 0.00 66.70 66.82 1dby h VAL 14 Cb 0.42 1.46 0.00 0.00 -1.52 0.00 0.00 31.29 31.65 1dby h VAL 14 CO 0.04 0.13 0.00 0.52 0.02 0.00 0.00 177.57 178.29 1dby n VAL 15 N -3.50 0.00 -0.18 2.57 0.31 0.11 -4.52 118.33 113.11 1dby n VAL 15 Ca -0.01 0.01 -0.00 0.00 -0.01 0.00 0.00 64.34 64.32 1dby n VAL 15 Cb 0.29 -0.76 0.09 0.00 -0.91 0.00 0.00 33.84 32.55 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 -0.00 -2.25 7.52 3.38 -1.16 0.13 115.31 122.92 1dby h LEU 16 Ca 0.00 0.10 0.00 0.00 0.09 0.00 0.00 57.88 58.07 1dby h LEU 16 Cb 0.00 0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.89 1dby h LEU 16 CO 0.00 0.01 0.00 -0.62 0.09 0.00 0.00 178.44 177.92 1dby n GLU 17 N -5.13 2.87 -2.99 1.13 1.02 0.28 -4.20 120.64 113.63 1dby n GLU 17 Ca 0.08 -1.93 -0.34 0.00 -0.02 0.00 0.00 57.16 54.95 1dby n GLU 17 Cb 0.29 -1.70 -0.06 0.00 -0.02 0.00 0.00 31.44 29.95 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 -0.75 6.97 -0.08 1.62 0.15 0.03 -4.92 113.70 116.71 1dby s SER 18 Ca 0.35 1.50 -0.00 0.00 0.70 0.00 0.00 55.95 58.50 1dby s SER 18 Cb 0.22 -2.46 -0.00 0.00 -1.71 0.00 0.00 66.02 62.07 1dby s SER 18 CO 0.16 -0.17 -0.00 0.77 1.20 0.00 0.00 173.24 175.20 1dby h SER 19 N 2.56 0.00 -4.35 5.45 4.64 -1.90 -2.58 113.55 117.37 1dby h SER 19 Ca -0.48 0.00 -0.51 0.00 -0.47 0.00 0.00 61.79 60.33 1dby h SER 19 Cb 1.18 0.00 0.08 0.00 -0.31 0.00 0.00 62.40 63.35 1dby h SER 19 CO 0.64 0.40 0.39 0.68 -0.87 0.00 0.00 176.83 178.08 1dby s VAL 20 N -1.45 4.31 0.95 0.95 -7.23 -1.26 -4.21 120.40 112.46 1dby s VAL 20 Ca -0.00 0.75 -0.13 0.00 -1.81 0.00 0.00 61.98 60.79 1dby s VAL 20 Cb 0.00 -3.61 0.03 0.00 0.56 0.00 0.00 36.38 33.35 1dby s VAL 20 CO 0.00 -0.98 0.35 -2.65 -0.31 0.00 0.00 175.10 171.51 1dby n PRO 21 N -2.96 -0.27 -4.00 4.82 -0.02 -1.23 -4.61 135.00 126.74 1dby n PRO 21 Ca 0.07 -0.04 -0.10 0.00 -2.02 0.00 0.00 63.50 61.41 1dby n PRO 21 Cb 0.54 -1.81 -0.11 0.00 -0.02 0.00 0.00 33.50 32.09 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 -2.37 0.20 -0.33 -1.45 1.01 -0.41 -0.27 120.40 116.79 1dby s VAL 22 Ca 0.56 -0.88 0.00 0.00 0.00 0.00 0.00 61.98 61.66 1dby s VAL 22 Cb -0.21 -0.32 0.10 0.00 0.00 0.00 0.00 36.38 35.95 1dby s VAL 22 CO 0.68 -0.43 0.10 -0.22 0.00 0.00 0.00 175.10 175.23 1dby s LEU 23 N -1.38 2.72 -0.28 3.92 0.20 0.03 -0.39 118.68 123.50 1dby s LEU 23 Ca -0.13 -1.83 -0.13 0.00 0.69 0.00 0.00 54.13 52.72 1dby s LEU 23 Cb -0.09 -1.01 -0.04 0.00 -0.43 0.00 0.00 46.19 44.61 1dby s LEU 23 CO -0.01 -0.39 0.30 -0.69 -0.29 0.00 0.00 176.35 175.27 1dby s VAL 24 N 1.37 5.23 -0.36 1.68 1.01 0.19 -0.13 120.40 129.39 1dby s VAL 24 Ca 0.11 0.33 -0.17 0.00 0.00 0.00 0.00 61.98 62.24 1dby s VAL 24 Cb -0.18 -3.65 -0.00 0.00 0.00 0.00 0.00 36.38 32.55 1dby s VAL 24 CO -0.20 0.16 0.45 -0.62 0.00 0.00 0.00 175.10 174.90 1dby s ASP 25 N 1.70 6.25 -0.42 3.32 2.15 0.37 -0.39 116.67 129.65 1dby s ASP 25 Ca 0.11 -0.22 -0.29 0.00 0.43 0.00 0.00 52.55 52.58 1dby s ASP 25 Cb -0.16 -2.24 0.02 0.00 -0.30 0.00 0.00 42.92 40.24 1dby s ASP 25 CO 0.11 -0.46 1.14 -0.36 -0.17 0.00 0.00 175.17 175.42 1dby s PHE 26 N 2.24 2.90 0.09 -5.34 0.40 0.21 -0.73 117.98 117.75 1dby s PHE 26 Ca 0.15 0.88 0.01 0.00 -0.60 0.00 0.00 56.93 57.37 1dby s PHE 26 Cb -0.16 -4.17 -0.00 0.00 0.51 0.00 0.00 43.02 39.20 1dby s PHE 26 CO 0.13 -1.16 0.02 -2.67 0.70 0.00 0.00 175.22 172.24 1dby n TRP 27 N 7.56 0.08 -3.57 0.36 4.27 0.04 -3.44 117.44 122.75 1dby n TRP 27 Ca 0.12 -0.55 -0.10 0.00 -3.89 0.00 0.00 57.50 53.08 1dby n TRP 27 Cb 0.48 -0.02 -0.05 0.00 -1.36 0.00 0.00 31.31 30.37 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 -2.23 -1.93 0.47 -1.67 0.00 -1.26 -0.51 121.76 114.64 1dby s ALA 28 Ca 0.03 1.53 0.16 0.00 0.00 0.00 0.00 51.96 53.68 1dby s ALA 28 Cb 0.00 -0.58 1.14 0.00 0.00 0.00 0.00 23.12 23.69 1dby s ALA 28 CO 0.02 -0.37 2.04 -1.00 0.00 0.00 0.00 175.76 176.46 1dby h PRO 29 N 2.45 0.23 0.00 0.00 0.13 -2.01 0.90 132.00 133.70 1dby h PRO 29 Ca -0.18 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.94 1dby h PRO 29 Cb 1.17 -0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.25 1dby h PRO 29 CO 0.30 0.15 0.00 -2.67 -0.23 0.00 0.00 178.00 175.56 1dby n TRP 30 N -4.47 0.00 -2.62 1.56 4.27 -1.26 -4.67 117.44 110.24 1dby n TRP 30 Ca 0.05 0.00 -0.42 0.00 -3.89 0.00 0.00 57.50 53.24 1dby n TRP 30 Cb 0.29 -0.36 -0.01 0.00 -1.36 0.00 0.00 31.31 29.87 1dby n TRP 30 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1dby h GLY 32 N 12.29 -0.56 2.00 0.00 0.00 -1.84 0.22 103.07 115.18 1dby h GLY 32 Ca 0.35 0.69 -0.00 0.00 0.00 0.00 0.00 47.33 48.37 1dby h GLY 32 CO 1.41 -0.05 -0.00 -0.56 0.00 0.00 0.00 176.54 177.34 1dby h PRO 33 N -0.05 0.00 0.00 4.80 0.13 -1.90 -2.21 132.00 132.77 1dby h PRO 33 Ca 0.21 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.31 1dby h PRO 33 Cb 0.49 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.62 1dby h PRO 33 CO -0.90 0.00 -0.17 0.00 -0.23 0.00 0.00 178.00 176.69 1dby h ARG 35 N -0.98 -0.01 0.00 0.00 3.08 -0.39 0.25 114.38 116.33 1dby h ARG 35 Ca -0.05 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 59.97 1dby h ARG 35 Cb 1.06 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.10 1dby h ARG 35 CO -0.02 -0.00 -0.17 -0.84 -1.07 0.00 0.00 179.97 177.87 1dby h ILE 36 N -0.01 0.70 0.00 2.04 -0.00 -1.65 -2.56 117.51 116.03 1dby h ILE 36 Ca 0.35 -0.70 -0.26 0.00 -0.00 0.00 0.00 64.86 64.25 1dby h ILE 36 Cb 0.54 1.43 -0.05 0.00 -0.00 0.00 0.00 36.82 38.75 1dby h ILE 36 CO -0.76 0.16 -1.65 2.30 -0.00 0.00 0.00 178.15 178.21 1dby n ILE 37 N -3.72 1.52 -0.36 0.16 -5.35 0.21 -4.61 119.36 107.20 1dby n ILE 37 Ca -0.02 -0.77 0.02 0.00 -0.27 0.00 0.00 62.75 61.72 1dby n ILE 37 Cb 0.28 -0.97 0.09 0.00 -1.74 0.00 0.00 39.64 37.30 1dby n ILE 37 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1dby n ALA 38 N -2.52 0.06 0.18 -1.28 0.00 0.64 0.41 120.51 118.00 1dby n ALA 38 Ca -0.15 1.01 0.03 0.00 0.00 0.00 0.00 53.44 54.33 1dby n ALA 38 Cb 1.01 -0.53 0.33 0.00 0.00 0.00 0.00 19.45 20.25 1dby n ALA 38 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1dby h PRO 39 N 0.00 0.00 -0.25 0.00 0.13 -1.82 -1.01 132.00 129.05 1dby h PRO 39 Ca 0.40 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 65.37 1dby h PRO 39 Cb 0.64 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.77 1dby h PRO 39 CO -0.97 0.42 -0.48 0.28 -0.23 0.00 0.00 178.00 177.01 1dby h VAL 40 N 0.00 1.30 -0.46 1.56 2.07 -0.31 0.02 116.25 120.42 1dby h VAL 40 Ca -0.00 -1.68 0.06 0.00 0.82 0.00 0.00 66.70 65.89 1dby h VAL 40 Cb 0.82 1.74 -0.05 0.00 -1.52 0.00 0.00 31.29 32.28 1dby h VAL 40 CO 0.05 0.54 0.18 0.58 0.02 0.00 0.00 177.57 178.94 1dby h VAL 41 N 0.50 0.86 0.45 2.57 2.07 0.05 -0.20 116.25 122.55 1dby h VAL 41 Ca 0.01 -0.12 -0.02 0.00 0.82 0.00 0.00 66.70 67.39 1dby h VAL 41 Cb 1.09 0.48 0.00 0.00 -1.52 0.00 0.00 31.29 31.34 1dby h VAL 41 CO 0.11 0.06 -0.22 0.44 0.02 0.00 0.00 177.57 177.99 1dby h ASP 42 N 0.36 -0.51 -0.85 0.57 3.32 -0.95 0.21 116.42 118.56 1dby h ASP 42 Ca 0.22 -0.02 -0.00 0.00 0.02 0.00 0.00 57.03 57.25 1dby h ASP 42 Cb 0.21 0.13 -0.04 0.00 0.22 0.00 0.00 39.33 39.85 1dby h ASP 42 CO -0.21 -0.31 0.53 1.05 -1.72 0.00 0.00 179.24 178.57 1dby h GLU 43 N -0.67 1.15 -0.79 3.56 4.11 -0.79 0.82 114.58 121.97 1dby h GLU 43 Ca -0.06 -0.10 0.00 0.00 0.07 0.00 0.00 59.36 59.27 1dby h GLU 43 Cb 0.50 -0.25 -0.04 0.00 0.50 0.00 0.00 28.75 29.46 1dby h GLU 43 CO 0.10 0.80 0.51 0.82 0.07 0.00 0.00 179.01 181.31 1dby h ILE 44 N 1.17 1.21 -0.22 -1.06 1.08 -0.95 -1.18 117.51 117.56 1dby h ILE 44 Ca 0.31 -0.42 0.05 0.00 -0.39 0.00 0.00 64.86 64.41 1dby h ILE 44 Cb -0.07 0.07 -0.05 0.00 -3.07 0.00 0.00 36.82 33.71 1dby h ILE 44 CO -0.06 0.21 -0.10 0.00 -0.69 0.00 0.00 178.15 177.51 1dby h ALA 45 N 1.28 0.09 -0.52 1.87 0.00 0.90 0.98 119.26 123.84 1dby h ALA 45 Ca 0.29 0.09 0.11 0.00 0.00 0.00 0.00 54.91 55.39 1dby h ALA 45 Cb -0.09 0.25 -0.10 0.00 0.00 0.00 0.00 17.79 17.85 1dby h ALA 45 CO -0.06 -0.52 -0.11 0.78 0.00 0.00 0.00 179.25 179.35 1dby h GLY 46 N -0.07 0.41 0.71 0.00 0.00 0.12 0.25 103.07 104.49 1dby h GLY 46 Ca 0.12 0.15 -0.03 0.00 0.00 0.00 0.00 47.33 47.57 1dby h GLY 46 CO -0.27 -0.19 -0.30 0.83 0.00 0.00 0.00 176.54 176.61 1dby h GLU 47 N 0.02 -0.81 -0.01 4.80 5.08 -0.69 -3.33 114.58 119.63 1dby h GLU 47 Ca 0.26 0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.67 1dby h GLU 47 Cb 0.39 0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.83 1dby h GLU 47 CO -0.52 -0.51 -0.00 0.66 -1.00 0.00 0.00 179.01 177.64 1dby n TYR 48 N -5.35 0.00 -0.34 4.33 4.02 0.29 -4.51 117.16 115.60 1dby n TYR 48 Ca -0.11 0.00 0.08 0.00 -0.01 0.00 0.00 57.90 57.86 1dby n TYR 48 Cb 0.35 -0.00 0.17 0.00 -0.02 0.00 0.00 39.34 39.84 1dby n TYR 48 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 176.86 177.02 1dby n LYS 49 N -0.37 -0.08 -0.09 -0.72 4.81 0.88 -0.55 118.16 122.03 1dby n LYS 49 Ca 0.21 1.47 -0.14 0.00 -0.87 0.00 0.00 58.31 58.98 1dby n LYS 49 Cb 0.24 -2.23 -0.10 0.00 0.02 0.00 0.00 35.03 32.97 1dby n LYS 49 CO 0.00 0.00 0.00 0.22 1.17 0.00 0.00 177.40 178.79 1dby h ASP 50 N 0.00 -1.82 0.82 3.14 3.58 -1.85 -3.03 116.42 117.26 1dby h ASP 50 Ca 0.49 0.23 -0.24 0.00 0.42 0.00 0.00 57.03 57.93 1dby h ASP 50 Cb 0.82 0.73 -0.04 0.00 1.72 0.00 0.00 39.33 42.57 1dby h ASP 50 CO -0.96 -0.44 -1.24 0.11 -2.88 0.00 0.00 179.24 173.84 1dby h LYS 51 N -0.47 0.00 -3.65 0.28 1.57 -1.59 -3.46 116.57 109.26 1dby h LYS 51 Ca 0.06 -0.00 -0.52 0.00 -1.87 0.00 0.00 60.65 58.31 1dby h LYS 51 Cb 0.63 0.00 -0.40 0.00 0.08 0.00 0.00 32.23 32.54 1dby h LYS 51 CO -0.54 0.83 -0.77 -1.17 -0.57 0.00 0.00 179.45 177.23 1dby s LEU 52 N -6.50 1.28 -0.86 2.94 2.96 0.29 -3.49 118.68 115.29 1dby s LEU 52 Ca -0.01 -0.80 -0.25 0.00 -0.22 0.00 0.00 54.13 52.85 1dby s LEU 52 Cb 0.09 -0.65 0.04 0.00 0.50 0.00 0.00 46.19 46.17 1dby s LEU 52 CO 0.82 -0.29 1.36 -0.75 -1.32 0.00 0.00 176.35 176.18 1dby s LYS 53 N 1.82 3.35 0.25 1.98 2.36 0.63 -3.62 119.74 126.50 1dby s LYS 53 Ca -0.01 -0.61 -0.30 0.00 -2.55 0.00 0.00 55.97 52.50 1dby s LYS 53 Cb -0.17 -4.70 -0.09 0.00 -1.05 0.00 0.00 37.83 31.82 1dby s LYS 53 CO -0.08 -2.19 0.96 0.00 1.55 0.00 0.00 175.35 175.59 1dby s VAL 55 N -1.20 0.06 -0.12 0.00 1.01 0.82 -1.10 120.40 119.87 1dby s VAL 55 Ca 0.42 -1.31 -0.01 0.00 0.00 0.00 0.00 61.98 61.08 1dby s VAL 55 Cb -0.26 -1.82 0.04 0.00 0.00 0.00 0.00 36.38 34.33 1dby s VAL 55 CO 0.33 -0.26 -0.01 -0.54 0.00 0.00 0.00 175.10 174.62 1dby s LYS 56 N -3.96 0.86 -0.25 2.72 1.02 0.63 -0.48 119.74 120.28 1dby s LYS 56 Ca 0.16 -0.16 -0.11 0.00 0.02 0.00 0.00 55.97 55.88 1dby s LYS 56 Cb 0.03 -1.48 -0.05 0.00 -0.52 0.00 0.00 37.83 35.81 1dby s LYS 56 CO 0.00 -0.40 0.21 -1.17 -0.92 0.00 0.00 175.35 173.07 1dby s LEU 57 N 1.86 4.09 -0.46 3.17 0.20 0.09 -0.90 118.68 126.73 1dby s LEU 57 Ca 0.03 0.13 -0.29 0.00 0.69 0.00 0.00 54.13 54.70 1dby s LEU 57 Cb -0.14 -2.17 0.01 0.00 -0.43 0.00 0.00 46.19 43.46 1dby s LEU 57 CO -0.07 0.00 1.38 0.21 -0.29 0.00 0.00 176.35 177.58 1dby s ASN 58 N 1.28 6.32 0.34 3.68 3.84 -1.13 -0.78 114.94 128.49 1dby s ASN 58 Ca 0.09 0.64 0.12 0.00 0.21 0.00 0.00 52.86 53.93 1dby s ASN 58 Cb -0.14 -2.54 0.62 0.00 -0.55 0.00 0.00 41.25 38.63 1dby s ASN 58 CO 0.07 -1.48 1.76 0.74 -2.79 0.00 0.00 177.10 175.40 1dby h THR 59 N 6.42 1.30 -0.19 -5.21 2.02 -1.04 0.26 112.91 116.47 1dby h THR 59 Ca -0.27 -1.52 -0.13 0.00 0.77 0.00 0.00 66.41 65.26 1dby h THR 59 Cb 1.10 1.82 0.00 0.00 -1.74 0.00 0.00 68.15 69.33 1dby h THR 59 CO 1.11 0.43 -0.39 -0.78 0.37 0.00 0.00 175.52 176.27 1dby h ASP 60 N 0.00 0.66 1.19 4.18 1.82 -1.90 -0.91 116.42 121.46 1dby h ASP 60 Ca -0.00 -0.56 -0.16 0.00 -0.39 0.00 0.00 57.03 55.92 1dby h ASP 60 Cb 0.79 -0.19 -0.02 0.00 0.68 0.00 0.00 39.33 40.58 1dby h ASP 60 CO 0.06 1.10 -0.83 -0.08 -1.61 0.00 0.00 179.24 177.87 1dby h GLU 61 N 0.26 0.00 -2.08 0.28 4.57 -1.92 -3.38 114.58 112.31 1dby h GLU 61 Ca 0.00 0.00 -0.52 0.00 -1.18 0.00 0.00 59.36 57.66 1dby h GLU 61 Cb 0.99 0.00 -0.40 0.00 -0.16 0.00 0.00 28.75 29.18 1dby h GLU 61 CO 0.09 0.70 -1.02 0.43 -1.18 0.00 0.00 179.01 178.02 1dby n SER 62 N -3.25 1.80 -0.05 1.04 7.64 0.89 -4.79 113.62 116.91 1dby n SER 62 Ca -0.01 -3.16 -0.04 0.00 1.01 0.00 0.00 58.87 56.68 1dby n SER 62 Cb 0.84 -0.61 0.18 0.00 -1.01 0.00 0.00 64.21 63.62 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 3.19 0.64 -0.05 1.43 0.13 -1.35 -3.31 132.00 132.69 1dby h PRO 63 Ca 0.11 -0.20 0.00 0.00 -0.87 0.00 0.00 66.00 65.04 1dby h PRO 63 Cb 0.83 -0.06 -0.01 0.00 0.13 0.00 0.00 31.00 31.89 1dby h PRO 63 CO 0.59 0.75 -0.03 0.09 -0.23 0.00 0.00 178.00 179.17 1dby n ASN 64 N -4.18 -0.05 0.00 1.44 4.13 -1.26 0.43 115.26 115.77 1dby n ASN 64 Ca 0.01 0.72 -0.10 0.00 1.68 0.00 0.00 54.58 56.89 1dby n ASN 64 Cb 0.35 -0.33 -0.03 0.00 -1.54 0.00 0.00 39.78 38.23 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 0.66 -0.88 2.41 2.07 -1.96 0.67 116.25 119.23 1dby h VAL 65 Ca 0.01 0.00 0.14 0.00 0.82 0.00 0.00 66.70 67.67 1dby h VAL 65 Cb 0.02 0.66 -0.07 0.00 -1.52 0.00 0.00 31.29 30.38 1dby h VAL 65 CO -0.05 0.00 0.57 0.00 0.02 0.00 0.00 177.57 178.11 1dby h ALA 66 N 0.91 1.83 -0.04 1.67 0.00 -1.31 -0.14 119.26 122.18 1dby h ALA 66 Ca 0.08 0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.89 1dby h ALA 66 Cb 0.27 -0.13 0.01 0.00 0.00 0.00 0.00 17.79 17.94 1dby h ALA 66 CO -0.20 -0.06 -0.43 0.77 0.00 0.00 0.00 179.25 179.32 1dby h SER 67 N 0.69 0.45 -0.76 0.00 0.02 0.11 0.26 113.55 114.32 1dby h SER 67 Ca 0.44 -0.71 0.09 0.00 -0.84 0.00 0.00 61.79 60.77 1dby h SER 67 Cb 0.69 -0.13 -0.07 0.00 0.14 0.00 0.00 62.40 63.02 1dby h SER 67 CO -0.19 1.09 0.41 -0.33 -1.14 0.00 0.00 176.83 176.66 1dby h GLU 68 N -0.15 0.67 0.05 3.45 5.08 -0.20 -2.00 114.58 121.48 1dby h GLU 68 Ca -0.04 -0.04 -0.23 0.00 -1.00 0.00 0.00 59.36 58.04 1dby h GLU 68 Cb 1.12 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 30.21 1dby h GLU 68 CO 0.09 0.44 -1.07 1.88 -1.00 0.00 0.00 179.01 179.35 1dby h TYR 69 N 0.69 0.28 -0.80 4.33 0.05 -1.05 -3.49 116.97 116.99 1dby h TYR 69 Ca 0.37 -0.19 0.00 0.00 0.05 0.00 0.00 58.73 58.96 1dby h TYR 69 Cb 0.36 -0.02 0.00 0.00 1.01 0.00 0.00 36.73 38.08 1dby h TYR 69 CO -0.08 1.11 0.00 0.41 -1.05 0.00 0.00 178.16 178.54 1dby n GLY 70 N 1.30 0.53 3.60 3.88 0.00 0.66 -5.05 105.19 110.11 1dby n GLY 70 Ca -0.04 -0.23 -0.43 0.00 0.00 0.00 0.00 46.02 45.32 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 4.56 -0.04 -0.61 1.01 0.26 -4.93 121.20 119.62 1dby s ILE 71 Ca 0.00 1.15 0.12 0.00 0.00 0.00 0.00 60.65 61.92 1dby s ILE 71 Cb 0.00 -4.35 -0.03 0.00 0.01 0.00 0.00 42.46 38.09 1dby s ILE 71 CO 0.00 -0.58 1.40 0.08 0.00 0.00 0.00 174.94 175.84 1dby h ARG 72 N 8.55 0.00 -2.89 2.79 -0.00 -1.97 -3.46 114.38 117.40 1dby h ARG 72 Ca -0.23 0.00 0.06 0.00 -0.00 0.00 0.00 59.98 59.81 1dby h ARG 72 Cb 1.08 0.00 -0.08 0.00 -0.00 0.00 0.00 29.97 30.97 1dby h ARG 72 CO 0.99 0.67 0.27 -1.12 -0.00 0.00 0.00 179.97 180.78 1dby s SER 73 N -6.55 -0.33 0.10 0.08 0.01 -1.26 -5.19 113.70 100.56 1dby s SER 73 Ca 0.03 -0.41 0.06 0.00 1.31 0.00 0.00 55.95 56.94 1dby s SER 73 Cb 0.09 0.65 -0.03 0.00 0.21 0.00 0.00 66.02 66.94 1dby s SER 73 CO 0.77 -1.17 -0.15 0.27 0.41 0.00 0.00 173.24 173.37 1dby s ILE 74 N -3.77 1.27 0.47 1.44 -4.36 -1.26 -4.29 121.20 110.70 1dby s ILE 74 Ca 0.08 -1.50 -0.22 0.00 -0.26 0.00 0.00 60.65 58.75 1dby s ILE 74 Cb -0.04 -1.32 -0.07 0.00 1.25 0.00 0.00 42.46 42.28 1dby s ILE 74 CO 0.01 -0.29 1.16 -2.16 0.24 0.00 0.00 174.94 173.91 1dby s PRO 75 N -2.15 3.69 -0.12 0.37 0.04 -1.26 -4.84 135.00 130.74 1dby s PRO 75 Ca 0.03 1.76 -0.04 0.00 0.04 0.00 0.00 61.00 62.80 1dby s PRO 75 Cb -0.08 -2.35 0.05 0.00 0.04 0.00 0.00 34.50 32.16 1dby s PRO 75 CO 0.03 -0.61 0.07 0.99 0.04 0.00 0.00 177.00 177.52 1dby s THR 76 N -1.57 -0.05 -0.46 1.26 2.01 -1.22 -0.76 115.64 114.84 1dby s THR 76 Ca 0.65 0.07 -0.11 0.00 0.31 0.00 0.00 61.69 62.61 1dby s THR 76 Cb -0.28 -0.42 0.10 0.00 0.01 0.00 0.00 72.50 71.91 1dby s THR 76 CO 0.34 -0.07 0.35 -0.63 -0.69 0.00 0.00 174.62 173.92 1dby s ILE 77 N 2.13 4.55 -0.04 1.82 1.01 0.55 -0.62 121.20 130.59 1dby s ILE 77 Ca 0.03 -1.49 -0.22 0.00 0.00 0.00 0.00 60.65 58.98 1dby s ILE 77 Cb -0.14 -3.86 -0.04 0.00 0.01 0.00 0.00 42.46 38.42 1dby s ILE 77 CO -0.06 -0.66 0.64 -0.04 0.00 0.00 0.00 174.94 174.81 1dby s MET 78 N 1.47 4.39 -0.05 2.79 -1.94 0.47 -0.56 119.30 125.87 1dby s MET 78 Ca 0.04 0.79 -0.04 0.00 -1.71 0.00 0.00 55.69 54.77 1dby s MET 78 Cb -0.25 -3.41 -0.04 0.00 2.01 0.00 0.00 34.83 33.14 1dby s MET 78 CO 0.02 0.19 0.13 0.08 -0.01 0.00 0.00 175.02 175.43 1dby s VAL 79 N 0.40 5.23 0.11 -6.03 1.01 0.06 -0.63 120.40 120.54 1dby s VAL 79 Ca 0.34 -0.08 0.03 0.00 0.00 0.00 0.00 61.98 62.26 1dby s VAL 79 Cb -0.18 -3.36 -0.04 0.00 0.00 0.00 0.00 36.38 32.81 1dby s VAL 79 CO 0.17 0.46 -0.08 -0.36 0.00 0.00 0.00 175.10 175.29 1dby s PHE 80 N -1.16 1.00 -0.04 5.22 0.40 0.48 -0.33 117.98 123.55 1dby s PHE 80 Ca 0.21 -0.82 -0.12 0.00 -0.60 0.00 0.00 56.93 55.60 1dby s PHE 80 Cb -0.12 -0.55 0.02 0.00 0.51 0.00 0.00 43.02 42.88 1dby s PHE 80 CO 0.11 -0.06 0.28 -1.59 0.70 0.00 0.00 175.22 174.66 1dby s LYS 81 N -3.57 0.54 -1.55 0.44 0.00 -0.18 -1.28 119.74 114.13 1dby s LYS 81 Ca 0.11 -0.02 -0.14 0.00 0.00 0.00 0.00 55.97 55.92 1dby s LYS 81 Cb 0.03 0.24 0.09 0.00 0.00 0.00 0.00 37.83 38.19 1dby s LYS 81 CO -0.02 -0.13 0.97 0.41 0.00 0.00 0.00 175.35 176.57 1dby n GLY 82 N 1.84 -0.50 5.00 0.59 0.00 -1.26 -2.21 105.19 108.65 1dby n GLY 82 Ca -0.19 0.19 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -1.66 1.21 3.88 -0.02 0.00 -0.97 -4.93 105.19 102.70 1dby n GLY 83 Ca 0.05 -0.01 -0.30 0.00 0.00 0.00 0.00 46.02 45.76 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 2.95 0.52 1.61 1.02 -0.94 -3.93 119.74 120.97 1dby s LYS 84 Ca 0.00 0.53 -0.21 0.00 0.02 0.00 0.00 55.97 56.31 1dby s LYS 84 Cb 0.00 -2.03 -0.06 0.00 -0.52 0.00 0.00 37.83 35.23 1dby s LYS 84 CO 0.00 -0.98 1.19 0.21 -0.92 0.00 0.00 175.35 174.85 1dby s LYS 85 N -5.31 3.42 0.02 1.68 2.20 -1.26 -1.01 119.74 119.48 1dby s LYS 85 Ca 0.58 1.80 -0.03 0.00 -0.36 0.00 0.00 55.97 57.96 1dby s LYS 85 Cb -0.11 -2.19 -0.01 0.00 -1.51 0.00 0.00 37.83 34.01 1dby s LYS 85 CO 0.52 -0.84 -0.06 0.00 -0.36 0.00 0.00 175.35 174.62 1dby n GLU 87 N -3.31 0.38 -3.67 0.00 4.71 -1.18 -5.02 120.64 112.55 1dby n GLU 87 Ca -0.02 -2.66 -0.10 0.00 -0.01 0.00 0.00 57.16 54.37 1dby n GLU 87 Cb 0.08 2.05 -0.09 0.00 -1.01 0.00 0.00 31.44 32.47 1dby n GLU 87 CO 0.00 0.00 0.00 0.99 0.09 0.00 0.00 177.13 178.21 1dby s THR 88 N -3.02 -0.01 0.13 2.62 2.01 -1.26 -0.76 115.64 115.35 1dby s THR 88 Ca 0.29 0.04 0.04 0.00 0.31 0.00 0.00 61.69 62.37 1dby s THR 88 Cb 0.01 -0.78 -0.04 0.00 0.01 0.00 0.00 72.50 71.71 1dby s THR 88 CO 0.20 0.02 0.15 -0.63 -0.69 0.00 0.00 174.62 173.67 1dby s ILE 89 N 1.28 4.70 0.01 1.82 -1.09 0.28 -4.95 121.20 123.24 1dby s ILE 89 Ca -0.08 -0.89 0.03 0.00 -2.23 0.00 0.00 60.65 57.48 1dby s ILE 89 Cb -0.06 -3.36 -0.01 0.00 -1.58 0.00 0.00 42.46 37.45 1dby s ILE 89 CO -0.13 -0.03 -0.09 -0.63 -1.23 0.00 0.00 174.94 172.84 1dby s ILE 90 N -1.64 0.67 0.00 2.92 1.01 -1.26 -0.33 121.20 122.57 1dby s ILE 90 Ca 0.31 -0.51 0.00 0.00 0.00 0.00 0.00 60.65 60.45 1dby s ILE 90 Cb -0.11 -0.59 0.00 0.00 0.01 0.00 0.00 42.46 41.77 1dby s ILE 90 CO 0.24 0.08 0.00 0.61 0.00 0.00 0.00 174.94 175.87 1dby n GLY 91 N 2.58 -2.33 2.94 6.18 0.00 0.06 -4.62 105.19 110.00 1dby n GLY 91 Ca -0.15 -1.45 -0.43 0.00 0.00 0.00 0.00 46.02 43.99 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 -1.65 4.32 -1.80 4.61 0.00 -1.26 -4.85 120.51 119.87 1dby n ALA 92 Ca 0.00 -3.58 -0.33 0.00 0.00 0.00 0.00 53.44 49.54 1dby n ALA 92 Cb 0.00 -3.59 -0.03 0.00 0.00 0.00 0.00 19.45 15.83 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 4.23 4.31 0.53 0.00 -7.23 -1.26 -4.99 120.40 115.99 1dby s VAL 93 Ca 0.53 1.18 -0.21 0.00 -1.81 0.00 0.00 61.98 61.67 1dby s VAL 93 Cb 0.14 -3.61 -0.07 0.00 0.56 0.00 0.00 36.38 33.40 1dby s VAL 93 CO 0.02 -0.56 1.01 -2.65 -0.31 0.00 0.00 175.10 172.62 1dby n PRO 94 N -1.47 1.15 -0.28 4.82 -0.02 -1.26 -4.78 135.00 133.16 1dby n PRO 94 Ca 0.07 0.43 -0.03 0.00 -2.02 0.00 0.00 63.50 61.95 1dby n PRO 94 Cb 0.54 -2.16 0.12 0.00 -0.02 0.00 0.00 33.50 31.97 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 0.96 1.15 -0.63 -0.52 1.63 -1.99 -0.65 116.57 116.52 1dby h LYS 95 Ca -0.47 -0.15 0.13 0.00 -0.85 0.00 0.00 60.65 59.30 1dby h LYS 95 Cb 1.35 -0.21 -0.11 0.00 -0.60 0.00 0.00 32.23 32.65 1dby h LYS 95 CO 0.53 0.87 -0.06 0.00 -3.45 0.00 0.00 179.45 177.34 1dby h ALA 96 N 1.30 0.54 0.09 5.00 0.00 -1.99 0.25 119.26 124.45 1dby h ALA 96 Ca 0.28 0.21 -0.00 0.00 0.00 0.00 0.00 54.91 55.40 1dby h ALA 96 Cb 0.09 0.39 -0.00 0.00 0.00 0.00 0.00 17.79 18.27 1dby h ALA 96 CO -0.04 -0.41 -0.06 1.15 0.00 0.00 0.00 179.25 179.89 1dby h THR 97 N 0.07 0.87 0.39 0.00 2.02 -1.51 -1.85 112.91 112.89 1dby h THR 97 Ca 0.32 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.50 1dby h THR 97 Cb 0.51 0.87 -0.03 0.00 -1.74 0.00 0.00 68.15 67.77 1dby h THR 97 CO -0.58 0.00 -0.44 0.40 0.37 0.00 0.00 175.52 175.27 1dby h ILE 98 N -0.15 0.12 -0.22 3.11 2.04 -0.17 -0.33 117.51 121.91 1dby h ILE 98 Ca -0.01 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.91 1dby h ILE 98 Cb 0.13 0.12 -0.07 0.00 -0.74 0.00 0.00 36.82 36.26 1dby h ILE 98 CO 0.00 0.00 -0.38 0.58 0.00 0.00 0.00 178.15 178.36 1dby h VAL 99 N -0.86 0.19 -0.37 1.67 2.07 -0.50 0.29 116.25 118.74 1dby h VAL 99 Ca -0.03 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.54 1dby h VAL 99 Cb 0.77 0.19 -0.05 0.00 -1.52 0.00 0.00 31.29 30.69 1dby h VAL 99 CO -0.10 0.00 0.06 1.56 0.02 0.00 0.00 177.57 179.12 1dby h GLN 100 N -0.40 0.18 -0.79 1.57 7.50 -1.19 0.77 115.11 122.75 1dby h GLN 100 Ca 0.11 -0.01 -0.01 0.00 0.50 0.00 0.00 58.65 59.24 1dby h GLN 100 Cb 0.58 -0.04 -0.04 0.00 0.05 0.00 0.00 27.48 28.03 1dby h GLN 100 CO -0.44 0.12 0.45 1.15 -1.50 0.00 0.00 178.83 178.61 1dby h THR 101 N 0.18 1.23 -0.06 -0.54 2.02 -0.17 0.65 112.91 116.23 1dby h THR 101 Ca 0.18 -0.56 -0.00 0.00 0.77 0.00 0.00 66.41 66.80 1dby h THR 101 Cb 0.22 0.16 -0.00 0.00 -1.74 0.00 0.00 68.15 66.79 1dby h THR 101 CO -0.24 0.25 0.02 0.58 0.37 0.00 0.00 175.52 176.50 1dby h VAL 102 N 1.09 1.14 -0.42 3.16 2.07 0.26 -1.16 116.25 122.39 1dby h VAL 102 Ca 0.28 -0.40 0.03 0.00 0.82 0.00 0.00 66.70 67.43 1dby h VAL 102 Cb 0.01 1.31 -0.04 0.00 -1.52 0.00 0.00 31.29 31.05 1dby h VAL 102 CO -0.05 0.11 0.21 -0.33 0.02 0.00 0.00 177.57 177.53 1dby h GLU 103 N -0.07 0.41 -0.28 1.57 5.08 -0.60 0.19 114.58 120.87 1dby h GLU 103 Ca 0.02 -0.02 0.07 0.00 -1.00 0.00 0.00 59.36 58.42 1dby h GLU 103 Cb 0.16 -0.09 -0.07 0.00 0.50 0.00 0.00 28.75 29.25 1dby h GLU 103 CO -0.00 0.27 -0.19 -0.22 -1.00 0.00 0.00 179.01 177.87 1dby h LYS 104 N 0.42 -0.16 -0.29 2.33 3.64 -0.71 -2.07 116.57 119.72 1dby h LYS 104 Ca 0.18 0.01 -0.04 0.00 -1.27 0.00 0.00 60.65 59.53 1dby h LYS 104 Cb 0.09 0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 31.94 1dby h LYS 104 CO -0.13 -0.11 0.02 1.88 -2.27 0.00 0.00 179.45 178.84 1dby h TYR 105 N -0.17 0.55 0.00 1.91 0.05 -0.48 -3.44 116.97 115.39 1dby h TYR 105 Ca 0.15 -0.09 0.00 0.00 0.05 0.00 0.00 58.73 58.84 1dby h TYR 105 Cb 0.40 -0.15 0.00 0.00 1.01 0.00 0.00 36.73 37.99 1dby h TYR 105 CO -0.37 0.63 0.00 1.28 -1.05 0.00 0.00 178.16 178.64 1dby n LEU 106 N -4.60 0.00 0.00 3.88 4.77 0.59 -5.10 117.00 116.53 1dby n LEU 106 Ca -0.03 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.95 1dby n LEU 106 Cb 0.24 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.33 1dby n LEU 106 CO 0.38 0.00 0.00 -3.20 -1.33 0.00 0.00 177.39 173.24