#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 1.57 -0.08 2.12 -1.05 -1.26 -3.45 118.70 116.55 1dby s GLU 2 Ca 0.00 -0.94 -0.29 0.00 -0.15 0.00 0.00 54.97 53.59 1dby s GLU 2 Cb 0.00 0.56 -0.06 0.00 -0.44 0.00 0.00 34.13 34.19 1dby s GLU 2 CO 0.00 -0.69 1.91 0.00 0.95 0.00 0.00 175.26 177.43 1dby s ALA 3 N -3.90 3.33 0.59 -0.84 0.00 -1.26 -4.74 121.76 114.95 1dby s ALA 3 Ca 0.11 0.98 -0.20 0.00 0.00 0.00 0.00 51.96 52.86 1dby s ALA 3 Cb -0.03 -3.88 -0.04 0.00 0.00 0.00 0.00 23.12 19.17 1dby s ALA 3 CO 0.02 -1.90 1.21 0.41 0.00 0.00 0.00 175.76 175.51 1dby n GLY 4 N 4.78 0.35 3.20 0.00 0.00 -0.29 -4.77 105.19 108.46 1dby n GLY 4 Ca 0.22 -0.07 -0.40 0.00 0.00 0.00 0.00 46.02 45.77 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 -1.38 3.31 0.27 4.61 0.00 -1.26 -0.29 121.76 127.02 1dby s ALA 5 Ca 0.76 -2.47 0.07 0.00 0.00 0.00 0.00 51.96 50.31 1dby s ALA 5 Cb -0.41 -2.69 -0.03 0.00 0.00 0.00 0.00 23.12 19.99 1dby s ALA 5 CO 0.46 -1.84 0.29 0.14 0.00 0.00 0.00 175.76 174.81 1dby s VAL 6 N 1.31 4.45 0.28 0.00 -7.23 -0.13 -4.98 120.40 114.11 1dby s VAL 6 Ca 0.06 -1.24 -0.10 0.00 -1.81 0.00 0.00 61.98 58.89 1dby s VAL 6 Cb -0.25 -3.49 0.00 0.00 0.56 0.00 0.00 36.38 33.21 1dby s VAL 6 CO -0.01 -0.29 0.50 0.20 -0.31 0.00 0.00 175.10 175.19 1dby s ASN 7 N -3.95 0.17 0.24 4.85 -0.87 -1.26 -3.41 114.94 110.71 1dby s ASN 7 Ca 0.36 -1.10 -0.08 0.00 -1.57 0.00 0.00 52.86 50.47 1dby s ASN 7 Cb -0.08 0.63 0.40 0.00 -0.02 0.00 0.00 41.25 42.18 1dby s ASN 7 CO 0.27 -1.22 1.62 -2.24 -2.57 0.00 0.00 177.10 172.96 1dby h ASP 8 N 2.20 -0.47 0.00 -1.22 2.03 -1.88 0.20 116.42 117.29 1dby h ASP 8 Ca -0.27 0.21 0.00 0.00 -0.73 0.00 0.00 57.03 56.23 1dby h ASP 8 Cb 1.25 0.39 0.00 0.00 -0.83 0.00 0.00 39.33 40.14 1dby h ASP 8 CO 0.37 -0.21 0.00 -0.67 -1.03 0.00 0.00 179.24 177.70 1dby n ASP 9 N -5.40 0.00 -0.28 4.15 2.03 -1.26 -3.76 116.55 112.02 1dby n ASP 9 Ca 0.13 0.87 0.17 0.00 0.52 0.00 0.00 54.79 56.48 1dby n ASP 9 Cb 0.45 -0.40 0.45 0.00 -0.72 0.00 0.00 41.12 40.90 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 0.69 -0.99 5.18 1.35 -1.88 -2.04 112.91 115.22 1dby h THR 10 Ca 0.00 -0.18 0.21 0.00 -0.55 0.00 0.00 66.41 65.88 1dby h THR 10 Cb 0.00 0.11 -0.19 0.00 -1.73 0.00 0.00 68.15 66.34 1dby h THR 10 CO 0.00 0.10 -0.22 0.33 -0.25 0.00 0.00 175.52 175.47 1dby n PHE 11 N -4.59 0.38 -0.01 4.73 7.35 0.68 -0.52 117.46 125.48 1dby n PHE 11 Ca 0.21 1.21 -0.12 0.00 -0.76 0.00 0.00 57.45 57.98 1dby n PHE 11 Cb 0.66 -1.09 -0.06 0.00 0.35 0.00 0.00 39.48 39.34 1dby n PHE 11 CO 0.00 0.00 0.00 0.87 -0.76 0.00 0.00 176.76 176.87 1dby h LYS 12 N 0.00 -0.46 -0.06 -4.13 6.56 -1.50 0.28 116.57 117.27 1dby h LYS 12 Ca 0.49 0.03 -0.11 0.00 -1.06 0.00 0.00 60.65 59.99 1dby h LYS 12 Cb 0.77 0.10 0.01 0.00 -0.57 0.00 0.00 32.23 32.54 1dby h LYS 12 CO -1.01 -0.30 -0.41 -0.97 -2.06 0.00 0.00 179.45 174.70 1dby h ASN 13 N -0.47 0.46 -0.04 0.86 -0.00 -1.20 0.54 115.58 115.72 1dby h ASN 13 Ca 0.08 -0.68 -0.16 0.00 -0.00 0.00 0.00 56.30 55.55 1dby h ASN 13 Cb 0.62 -0.14 0.01 0.00 -0.00 0.00 0.00 38.32 38.81 1dby h ASN 13 CO -0.41 1.07 -0.59 0.58 -0.00 0.00 0.00 177.43 178.08 1dby h VAL 14 N -0.11 1.39 0.00 2.57 2.07 -0.70 -3.31 116.25 118.16 1dby h VAL 14 Ca -0.03 -1.99 0.00 0.00 0.82 0.00 0.00 66.70 65.49 1dby h VAL 14 Cb 1.08 2.43 0.00 0.00 -1.52 0.00 0.00 31.29 33.28 1dby h VAL 14 CO 0.08 0.59 -0.43 0.52 0.02 0.00 0.00 177.57 178.36 1dby n VAL 15 N -4.20 0.78 0.38 2.57 0.31 0.92 -4.43 118.33 114.66 1dby n VAL 15 Ca -0.09 0.32 -0.16 0.00 -0.01 0.00 0.00 64.34 64.40 1dby n VAL 15 Cb 0.66 -1.96 -0.08 0.00 -0.91 0.00 0.00 33.84 31.54 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 -0.54 -0.82 -3.28 7.52 3.38 -1.26 -3.13 115.31 117.17 1dby h LEU 16 Ca 0.00 0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 1dby h LEU 16 Cb 0.43 0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.38 1dby h LEU 16 CO 0.00 -0.47 -0.06 -0.62 0.09 0.00 0.00 178.44 177.38 1dby n GLU 17 N -5.44 1.10 -0.71 1.13 1.02 0.17 -4.26 120.64 113.65 1dby n GLU 17 Ca -0.13 -0.18 -0.03 0.00 -0.02 0.00 0.00 57.16 56.80 1dby n GLU 17 Cb 0.40 -1.22 0.02 0.00 -0.02 0.00 0.00 31.44 30.61 1dby n GLU 17 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1dby n SER 18 N 1.74 0.13 0.04 1.62 2.88 -1.19 -4.81 113.62 114.03 1dby n SER 18 Ca 0.08 -1.12 0.00 0.00 -1.33 0.00 0.00 58.87 56.50 1dby n SER 18 Cb 0.54 -0.08 0.00 0.00 -0.75 0.00 0.00 64.21 63.91 1dby n SER 18 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1dby n SER 19 N -3.01 0.27 -4.86 -3.46 3.41 -1.26 -4.76 113.62 99.95 1dby n SER 19 Ca 0.02 0.13 -0.31 0.00 -0.26 0.00 0.00 58.87 58.45 1dby n SER 19 Cb 0.07 -0.01 0.01 0.00 -0.26 0.00 0.00 64.21 64.02 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 -1.46 4.56 0.83 -3.33 -7.23 -1.26 -4.66 120.40 107.85 1dby s VAL 20 Ca 0.00 0.90 -0.10 0.00 -1.81 0.00 0.00 61.98 60.97 1dby s VAL 20 Cb 0.00 -3.76 0.09 0.00 0.56 0.00 0.00 36.38 33.27 1dby s VAL 20 CO 0.00 -1.02 1.12 -2.16 -0.31 0.00 0.00 175.10 172.73 1dby s PRO 21 N -4.95 1.72 -0.07 4.82 0.04 -1.20 -4.84 135.00 130.52 1dby s PRO 21 Ca 0.56 1.35 -0.00 0.00 0.04 0.00 0.00 61.00 62.95 1dby s PRO 21 Cb -0.11 -1.82 0.02 0.00 0.04 0.00 0.00 34.50 32.63 1dby s PRO 21 CO 0.50 -2.07 -0.04 0.08 0.04 0.00 0.00 177.00 175.50 1dby s VAL 22 N -2.77 0.64 -0.53 -0.36 1.01 0.53 -0.69 120.40 118.23 1dby s VAL 22 Ca 0.64 -0.10 -0.17 0.00 0.00 0.00 0.00 61.98 62.35 1dby s VAL 22 Cb -0.20 -0.70 0.11 0.00 0.00 0.00 0.00 36.38 35.59 1dby s VAL 22 CO 0.56 0.28 0.52 -0.22 0.00 0.00 0.00 175.10 176.24 1dby s LEU 23 N 1.46 5.88 -0.05 3.92 0.20 0.29 -0.29 118.68 130.09 1dby s LEU 23 Ca -0.02 -1.59 -0.14 0.00 0.69 0.00 0.00 54.13 53.07 1dby s LEU 23 Cb -0.13 -2.23 -0.05 0.00 -0.43 0.00 0.00 46.19 43.34 1dby s LEU 23 CO -0.03 -0.86 0.35 0.68 -0.29 0.00 0.00 176.35 176.19 1dby s VAL 24 N 1.84 5.16 -0.25 1.68 -7.23 -0.36 -0.03 120.40 121.21 1dby s VAL 24 Ca 0.05 0.70 -0.05 0.00 -1.81 0.00 0.00 61.98 60.87 1dby s VAL 24 Cb -0.27 -3.65 -0.00 0.00 0.56 0.00 0.00 36.38 33.01 1dby s VAL 24 CO 0.05 0.54 -0.00 -0.62 -0.31 0.00 0.00 175.10 174.76 1dby s ASP 25 N -0.71 4.61 -0.40 4.85 2.15 0.01 -0.64 116.67 126.54 1dby s ASP 25 Ca 0.21 -0.51 -0.29 0.00 0.43 0.00 0.00 52.55 52.39 1dby s ASP 25 Cb -0.15 -1.79 0.02 0.00 -0.30 0.00 0.00 42.92 40.70 1dby s ASP 25 CO 0.10 -0.08 1.21 -0.36 -0.17 0.00 0.00 175.17 175.87 1dby s PHE 26 N 1.48 2.78 0.23 -5.34 0.40 -0.22 -0.38 117.98 116.93 1dby s PHE 26 Ca 0.04 0.83 0.01 0.00 -0.60 0.00 0.00 56.93 57.22 1dby s PHE 26 Cb -0.15 -4.16 -0.00 0.00 0.51 0.00 0.00 43.02 39.21 1dby s PHE 26 CO -0.01 -1.39 0.04 -2.67 0.70 0.00 0.00 175.22 171.89 1dby n TRP 27 N 7.80 0.33 -3.63 0.36 4.27 0.37 -3.55 117.44 123.39 1dby n TRP 27 Ca 0.13 -1.29 -0.08 0.00 -3.89 0.00 0.00 57.50 52.37 1dby n TRP 27 Cb 0.48 -0.09 -0.06 0.00 -1.36 0.00 0.00 31.31 30.28 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 -2.50 -2.01 0.21 -1.67 0.00 -1.26 -0.33 121.76 114.20 1dby s ALA 28 Ca 0.05 1.78 -0.14 0.00 0.00 0.00 0.00 51.96 53.65 1dby s ALA 28 Cb 0.00 -1.33 0.25 0.00 0.00 0.00 0.00 23.12 22.04 1dby s ALA 28 CO 0.04 -0.23 1.40 -2.30 0.00 0.00 0.00 175.76 174.66 1dby n PRO 29 N 1.70 -0.19 0.20 0.00 -0.02 -1.26 -0.28 135.00 135.14 1dby n PRO 29 Ca -0.11 1.39 0.14 0.00 -2.02 0.00 0.00 63.50 62.89 1dby n PRO 29 Cb 0.57 -2.06 0.71 0.00 -0.02 0.00 0.00 33.50 32.70 1dby n PRO 29 CO 0.00 0.00 0.00 0.11 1.98 0.00 0.00 175.50 177.59 1dby h TRP 30 N 0.00 0.00 -0.61 6.00 5.08 -2.05 -3.39 115.95 120.98 1dby h TRP 30 Ca 0.33 0.00 -0.44 0.00 1.08 0.00 0.00 58.89 59.86 1dby h TRP 30 Cb 0.56 0.00 -0.05 0.00 -3.00 0.00 0.00 29.16 26.66 1dby h TRP 30 CO -0.77 0.00 1.39 0.00 -1.28 0.00 0.00 178.44 177.78 1dby n GLY 32 N 5.77 -2.09 0.21 0.00 0.00 -1.26 -0.66 105.19 107.16 1dby n GLY 32 Ca 0.45 1.04 -0.02 0.00 0.00 0.00 0.00 46.02 47.50 1dby n GLY 32 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1dby h PRO 33 N 0.00 0.10 -0.30 1.61 0.11 -1.96 0.43 132.00 131.98 1dby h PRO 33 Ca 0.24 -0.01 0.02 0.00 0.11 0.00 0.00 66.00 66.36 1dby h PRO 33 Cb 0.47 -0.02 -0.02 0.00 0.11 0.00 0.00 31.00 31.53 1dby h PRO 33 CO -0.88 0.07 0.15 0.00 -0.21 0.00 0.00 178.00 177.13 1dby h ARG 35 N 0.32 0.55 0.00 0.00 2.47 -0.20 0.13 114.38 117.65 1dby h ARG 35 Ca 0.13 -0.06 -0.07 0.00 -1.26 0.00 0.00 59.98 58.72 1dby h ARG 35 Cb 0.04 -0.11 -0.01 0.00 -1.65 0.00 0.00 29.97 28.24 1dby h ARG 35 CO -0.09 0.44 -0.33 -0.84 0.56 0.00 0.00 179.97 179.71 1dby h ILE 36 N 0.52 0.78 0.00 2.04 -0.00 -0.63 -2.90 117.51 117.32 1dby h ILE 36 Ca 0.14 -1.40 -0.18 0.00 -0.00 0.00 0.00 64.86 63.42 1dby h ILE 36 Cb 0.04 1.88 -0.03 0.00 -0.00 0.00 0.00 36.82 38.72 1dby h ILE 36 CO -0.02 0.32 -0.98 0.16 -0.00 0.00 0.00 178.15 177.63 1dby h ILE 37 N 0.00 1.21 -0.93 0.16 3.07 -0.75 -3.39 117.51 116.88 1dby h ILE 37 Ca -0.00 -2.81 0.28 0.00 1.55 0.00 0.00 64.86 63.88 1dby h ILE 37 Cb 0.86 2.58 -0.17 0.00 -0.27 0.00 0.00 36.82 39.81 1dby h ILE 37 CO 0.04 0.69 0.10 0.00 -1.05 0.00 0.00 178.15 177.93 1dby n ALA 38 N -2.34 0.55 -0.37 0.16 0.00 0.43 0.23 120.51 119.17 1dby n ALA 38 Ca -0.02 0.99 -0.01 0.00 0.00 0.00 0.00 53.44 54.40 1dby n ALA 38 Cb 0.88 -0.77 0.13 0.00 0.00 0.00 0.00 19.45 19.69 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 1.23 -0.03 0.00 0.11 -1.75 0.14 132.00 131.70 1dby h PRO 39 Ca 0.60 -0.07 -0.06 0.00 0.11 0.00 0.00 66.00 66.58 1dby h PRO 39 Cb 1.31 -0.28 0.00 0.00 0.11 0.00 0.00 31.00 32.15 1dby h PRO 39 CO -0.85 0.81 -0.20 0.28 -0.21 0.00 0.00 178.00 177.83 1dby h VAL 40 N 1.27 1.50 -0.92 3.15 2.07 -0.49 -0.31 116.25 122.52 1dby h VAL 40 Ca 0.39 -1.76 0.20 0.00 0.82 0.00 0.00 66.70 66.35 1dby h VAL 40 Cb -0.03 2.56 -0.07 0.00 -1.52 0.00 0.00 31.29 32.22 1dby h VAL 40 CO -0.11 0.48 0.60 1.62 0.02 0.00 0.00 177.57 180.18 1dby h VAL 41 N -0.43 0.70 0.44 2.57 3.04 -0.30 0.88 116.25 123.15 1dby h VAL 41 Ca -0.02 -0.17 -0.02 0.00 -1.01 0.00 0.00 66.70 65.48 1dby h VAL 41 Cb 0.89 0.15 0.00 0.00 -2.01 0.00 0.00 31.29 30.33 1dby h VAL 41 CO 0.04 0.09 -0.21 -0.78 -1.01 0.00 0.00 177.57 175.70 1dby h ASP 42 N 0.50 -0.50 -0.94 3.17 3.58 -0.60 -3.33 116.42 118.31 1dby h ASP 42 Ca 0.49 -0.05 0.21 0.00 0.42 0.00 0.00 57.03 58.10 1dby h ASP 42 Cb 1.09 0.13 -0.12 0.00 1.72 0.00 0.00 39.33 42.15 1dby h ASP 42 CO -0.22 -0.07 0.49 1.05 -2.88 0.00 0.00 179.24 177.62 1dby h GLU 43 N -1.09 0.53 -0.81 0.28 4.11 0.20 0.48 114.58 118.27 1dby h GLU 43 Ca -0.06 -0.03 0.13 0.00 0.07 0.00 0.00 59.36 59.47 1dby h GLU 43 Cb 0.52 -0.12 -0.09 0.00 0.50 0.00 0.00 28.75 29.56 1dby h GLU 43 CO 0.10 0.35 0.41 0.82 0.07 0.00 0.00 179.01 180.76 1dby h ILE 44 N 0.54 0.75 0.00 -1.06 1.08 -0.99 0.29 117.51 118.14 1dby h ILE 44 Ca 0.57 -0.21 -0.03 0.00 -0.39 0.00 0.00 64.86 64.80 1dby h ILE 44 Cb 1.02 0.09 -0.00 0.00 -3.07 0.00 0.00 36.82 34.85 1dby h ILE 44 CO -0.46 0.11 -0.15 0.00 -0.69 0.00 0.00 178.15 176.95 1dby h ALA 45 N 1.53 1.22 0.00 1.87 0.00 -1.00 0.17 119.26 123.04 1dby h ALA 45 Ca 0.43 -0.14 -0.11 0.00 0.00 0.00 0.00 54.91 55.10 1dby h ALA 45 Cb 0.58 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.35 1dby h ALA 45 CO -0.34 0.19 -0.42 0.78 0.00 0.00 0.00 179.25 179.46 1dby h GLY 46 N 1.16 0.32 0.09 0.00 0.00 -0.44 0.21 103.07 104.40 1dby h GLY 46 Ca -0.00 -0.55 -0.00 0.00 0.00 0.00 0.00 47.33 46.77 1dby h GLY 46 CO 0.02 0.49 -0.04 0.83 0.00 0.00 0.00 176.54 177.84 1dby h GLU 47 N -0.32 -0.11 -0.87 4.80 5.08 -0.36 -3.37 114.58 119.43 1dby h GLU 47 Ca -0.05 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 1dby h GLU 47 Cb 1.16 0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.43 1dby h GLU 47 CO 0.08 -0.07 0.00 0.66 -1.00 0.00 0.00 179.01 178.68 1dby n TYR 48 N -3.26 0.29 -0.32 4.33 4.02 0.57 -4.42 117.16 118.37 1dby n TYR 48 Ca -0.01 -0.10 0.26 0.00 -0.01 0.00 0.00 57.90 58.03 1dby n TYR 48 Cb 0.05 -0.15 0.48 0.00 -0.02 0.00 0.00 39.34 39.70 1dby n TYR 48 CO 0.00 0.00 0.00 0.36 -1.01 0.00 0.00 176.86 176.21 1dby n LYS 49 N 0.07 -0.06 -0.28 -0.72 2.85 -1.24 -0.23 118.16 118.54 1dby n LYS 49 Ca 0.04 1.37 0.11 0.00 -1.05 0.00 0.00 58.31 58.79 1dby n LYS 49 Cb 0.36 -2.38 0.23 0.00 -0.65 0.00 0.00 35.03 32.59 1dby n LYS 49 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 177.40 173.88 1dby n ASP 50 N -5.27 -0.11 0.05 -5.58 2.03 -1.26 -4.05 116.55 102.35 1dby n ASP 50 Ca 0.33 1.38 0.00 0.00 0.52 0.00 0.00 54.79 57.01 1dby n ASP 50 Cb 1.10 -0.49 0.00 0.00 -0.72 0.00 0.00 41.12 41.00 1dby n ASP 50 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 1dby n LYS 51 N -5.17 0.00 -2.81 -0.67 5.02 -0.09 -5.05 118.16 109.40 1dby n LYS 51 Ca 0.18 0.00 -0.43 0.00 -2.02 0.00 0.00 58.31 56.05 1dby n LYS 51 Cb 0.60 -0.30 -0.04 0.00 -0.02 0.00 0.00 35.03 35.27 1dby n LYS 51 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 1dby s LEU 52 N -6.31 4.00 -0.90 -0.35 2.96 0.68 -3.21 118.68 115.55 1dby s LEU 52 Ca 0.00 0.49 -0.20 0.00 -0.22 0.00 0.00 54.13 54.20 1dby s LEU 52 Cb 0.00 -3.24 0.11 0.00 0.50 0.00 0.00 46.19 43.56 1dby s LEU 52 CO 0.00 -0.89 1.15 -0.75 -1.32 0.00 0.00 176.35 174.54 1dby s LYS 53 N 3.51 3.53 0.29 1.98 2.36 0.14 -4.19 119.74 127.35 1dby s LYS 53 Ca 0.38 -1.53 -0.28 0.00 -2.55 0.00 0.00 55.97 51.99 1dby s LYS 53 Cb -0.12 -4.88 -0.09 0.00 -1.05 0.00 0.00 37.83 31.69 1dby s LYS 53 CO 0.20 -1.84 0.96 0.00 1.55 0.00 0.00 175.35 176.22 1dby s VAL 55 N -1.38 0.00 -0.03 0.00 -7.23 0.95 -1.14 120.40 111.57 1dby s VAL 55 Ca 0.46 -1.16 -0.02 0.00 -1.81 0.00 0.00 61.98 59.44 1dby s VAL 55 Cb -0.23 -2.60 0.01 0.00 0.56 0.00 0.00 36.38 34.12 1dby s VAL 55 CO 0.29 0.00 0.08 -1.59 -0.31 0.00 0.00 175.10 173.57 1dby s LYS 56 N -2.94 0.08 -0.19 4.82 -2.85 0.60 -0.81 119.74 118.45 1dby s LYS 56 Ca 0.18 0.15 -0.02 0.00 -1.00 0.00 0.00 55.97 55.29 1dby s LYS 56 Cb -0.04 -0.01 -0.00 0.00 -2.06 0.00 0.00 37.83 35.72 1dby s LYS 56 CO 0.12 -0.05 -0.11 -0.48 0.10 0.00 0.00 175.35 174.94 1dby s LEU 57 N 0.29 2.62 -0.52 2.77 0.05 0.48 -0.96 118.68 123.41 1dby s LEU 57 Ca -0.02 -0.46 -0.28 0.00 0.05 0.00 0.00 54.13 53.42 1dby s LEU 57 Cb -0.03 -1.63 0.01 0.00 -2.05 0.00 0.00 46.19 42.48 1dby s LEU 57 CO -0.01 0.03 1.50 0.21 -0.55 0.00 0.00 176.35 177.52 1dby s ASN 58 N 1.17 6.05 0.26 1.48 3.84 -1.22 -0.48 114.94 126.04 1dby s ASN 58 Ca 0.02 0.47 -0.05 0.00 0.21 0.00 0.00 52.86 53.50 1dby s ASN 58 Cb -0.14 -2.54 0.29 0.00 -0.55 0.00 0.00 41.25 38.30 1dby s ASN 58 CO -0.04 -1.73 1.93 0.74 -2.79 0.00 0.00 177.10 175.21 1dby h THR 59 N 6.48 1.25 -0.29 -5.21 2.02 -0.93 0.31 112.91 116.54 1dby h THR 59 Ca -0.27 -0.46 -0.16 0.00 0.77 0.00 0.00 66.41 66.29 1dby h THR 59 Cb 1.11 -0.20 -0.01 0.00 -1.74 0.00 0.00 68.15 67.31 1dby h THR 59 CO 1.15 0.24 -0.46 -0.78 0.37 0.00 0.00 175.52 176.05 1dby h ASP 60 N 1.33 0.83 1.28 4.18 1.82 -1.90 -0.19 116.42 123.78 1dby h ASP 60 Ca 0.37 -0.40 -0.15 0.00 -0.39 0.00 0.00 57.03 56.45 1dby h ASP 60 Cb -0.14 -0.24 -0.02 0.00 0.68 0.00 0.00 39.33 39.61 1dby h ASP 60 CO -0.08 1.16 -0.72 -0.08 -1.61 0.00 0.00 179.24 177.90 1dby h GLU 61 N 0.61 0.00 -2.07 0.28 4.57 -1.84 -3.38 114.58 112.74 1dby h GLU 61 Ca 0.04 0.00 -0.53 0.00 -1.18 0.00 0.00 59.36 57.69 1dby h GLU 61 Cb 1.02 0.00 -0.40 0.00 -0.16 0.00 0.00 28.75 29.21 1dby h GLU 61 CO 0.10 0.71 -1.03 0.43 -1.18 0.00 0.00 179.01 178.05 1dby n SER 62 N -3.28 1.64 0.02 1.04 7.64 0.11 -4.84 113.62 115.95 1dby n SER 62 Ca 0.01 -3.11 -0.03 0.00 1.01 0.00 0.00 58.87 56.75 1dby n SER 62 Cb 0.82 -0.62 0.22 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 3.29 0.46 -0.08 1.43 0.13 -1.22 -3.29 132.00 132.72 1dby h PRO 63 Ca 0.11 -0.17 0.01 0.00 -0.87 0.00 0.00 66.00 65.08 1dby h PRO 63 Cb 0.84 -0.03 -0.01 0.00 0.13 0.00 0.00 31.00 31.93 1dby h PRO 63 CO 0.58 0.67 -0.05 0.09 -0.23 0.00 0.00 178.00 179.06 1dby n ASN 64 N -4.13 -0.08 -0.15 1.44 3.02 -1.26 0.31 115.26 114.41 1dby n ASN 64 Ca -0.00 0.92 -0.08 0.00 -0.03 0.00 0.00 54.58 55.39 1dby n ASN 64 Cb 0.39 -0.41 0.01 0.00 -0.61 0.00 0.00 39.78 39.16 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 1.14 -0.92 2.41 2.07 -1.93 -0.42 116.25 118.60 1dby h VAL 65 Ca 0.01 -0.34 0.17 0.00 0.82 0.00 0.00 66.70 67.37 1dby h VAL 65 Cb 0.03 0.57 -0.08 0.00 -1.52 0.00 0.00 31.29 30.29 1dby h VAL 65 CO -0.07 0.15 0.59 0.00 0.02 0.00 0.00 177.57 178.25 1dby h ALA 66 N 1.12 1.91 -0.03 1.67 0.00 -1.36 0.78 119.26 123.34 1dby h ALA 66 Ca 0.16 0.03 -0.09 0.00 0.00 0.00 0.00 54.91 55.01 1dby h ALA 66 Cb 0.01 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 17.71 1dby h ALA 66 CO -0.03 -0.19 -0.32 0.77 0.00 0.00 0.00 179.25 179.49 1dby h SER 67 N 0.63 0.34 -0.59 0.00 0.02 0.69 0.23 113.55 114.87 1dby h SER 67 Ca 0.48 -0.70 0.08 0.00 -0.84 0.00 0.00 61.79 60.81 1dby h SER 67 Cb 0.89 -0.10 -0.06 0.00 0.14 0.00 0.00 62.40 63.26 1dby h SER 67 CO -0.23 0.99 0.26 -0.33 -1.14 0.00 0.00 176.83 176.37 1dby h GLU 68 N -0.29 0.45 0.07 3.45 5.08 -0.18 -2.37 114.58 120.80 1dby h GLU 68 Ca -0.03 -0.03 -0.24 0.00 -1.00 0.00 0.00 59.36 58.06 1dby h GLU 68 Cb 1.01 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 30.15 1dby h GLU 68 CO 0.06 0.30 -1.11 1.88 -1.00 0.00 0.00 179.01 179.14 1dby h TYR 69 N 0.47 0.34 -1.23 4.33 -1.99 -0.94 -3.49 116.97 114.46 1dby h TYR 69 Ca 0.29 -0.23 0.00 0.00 2.00 0.00 0.00 58.73 60.78 1dby h TYR 69 Cb 0.30 -0.02 0.00 0.00 2.00 0.00 0.00 36.73 39.01 1dby h TYR 69 CO -0.14 1.16 0.00 0.41 -0.00 0.00 0.00 178.16 179.59 1dby n GLY 70 N 1.37 0.63 3.72 3.88 0.00 0.59 -5.04 105.19 110.34 1dby n GLY 70 Ca -0.05 -0.36 -0.42 0.00 0.00 0.00 0.00 46.02 45.19 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 -2.21 3.08 -0.00 -0.61 -1.09 0.05 -4.94 121.20 115.48 1dby s ILE 71 Ca 0.00 0.78 -0.19 0.00 -2.23 0.00 0.00 60.65 59.01 1dby s ILE 71 Cb 0.00 -3.50 -0.31 0.00 -1.58 0.00 0.00 42.46 37.07 1dby s ILE 71 CO 0.00 0.06 0.98 -0.09 -1.23 0.00 0.00 174.94 174.67 1dby h ARG 72 N 6.75 0.44 -2.54 2.79 9.65 -1.96 -3.48 114.38 126.04 1dby h ARG 72 Ca -0.42 -0.69 0.14 0.00 -1.10 0.00 0.00 59.98 57.91 1dby h ARG 72 Cb 1.21 0.25 -0.05 0.00 -1.39 0.00 0.00 29.97 29.99 1dby h ARG 72 CO 0.88 1.31 0.49 -1.12 2.80 0.00 0.00 179.97 184.33 1dby s SER 73 N -7.21 -0.08 0.14 -3.80 0.01 -1.26 -5.18 113.70 96.32 1dby s SER 73 Ca -0.11 -0.63 0.11 0.00 1.31 0.00 0.00 55.95 56.62 1dby s SER 73 Cb 0.03 0.56 -0.04 0.00 0.21 0.00 0.00 66.02 66.77 1dby s SER 73 CO 0.88 -1.07 -0.26 0.27 0.41 0.00 0.00 173.24 173.47 1dby s ILE 74 N -2.71 2.24 0.40 1.44 -4.36 -1.26 -4.21 121.20 112.74 1dby s ILE 74 Ca 0.17 -1.79 -0.25 0.00 -0.26 0.00 0.00 60.65 58.52 1dby s ILE 74 Cb -0.03 -1.99 -0.09 0.00 1.25 0.00 0.00 42.46 41.61 1dby s ILE 74 CO 0.05 0.04 1.12 -2.16 0.24 0.00 0.00 174.94 174.23 1dby s PRO 75 N -2.16 4.09 -0.17 0.37 0.04 -1.26 -5.00 135.00 130.91 1dby s PRO 75 Ca 0.15 1.71 -0.04 0.00 0.04 0.00 0.00 61.00 62.86 1dby s PRO 75 Cb -0.10 -2.63 0.07 0.00 0.04 0.00 0.00 34.50 31.89 1dby s PRO 75 CO 0.07 -0.25 0.17 0.99 0.04 0.00 0.00 177.00 178.01 1dby s THR 76 N -1.50 -0.23 0.07 1.26 2.01 -1.23 -0.84 115.64 115.18 1dby s THR 76 Ca 0.57 -0.05 -0.21 0.00 0.31 0.00 0.00 61.69 62.31 1dby s THR 76 Cb -0.27 -0.58 -0.07 0.00 0.01 0.00 0.00 72.50 71.59 1dby s THR 76 CO 0.34 -0.17 0.62 -0.63 -0.69 0.00 0.00 174.62 174.09 1dby s ILE 77 N 2.26 4.70 -0.07 1.82 1.09 0.89 -1.05 121.20 130.84 1dby s ILE 77 Ca 0.05 1.33 0.01 0.00 -1.10 0.00 0.00 60.65 60.94 1dby s ILE 77 Cb -0.15 -3.96 0.02 0.00 -1.06 0.00 0.00 42.46 37.31 1dby s ILE 77 CO -0.10 0.51 -0.09 -0.04 -0.10 0.00 0.00 174.94 175.12 1dby s MET 78 N -0.89 1.42 -0.66 2.79 -1.94 0.19 -0.32 119.30 119.89 1dby s MET 78 Ca 0.31 -0.30 -0.18 0.00 -1.71 0.00 0.00 55.69 53.82 1dby s MET 78 Cb -0.20 -1.27 0.13 0.00 2.01 0.00 0.00 34.83 35.50 1dby s MET 78 CO 0.20 -0.05 0.74 0.08 -0.01 0.00 0.00 175.02 175.98 1dby s VAL 79 N 0.91 4.98 -0.08 -6.03 1.01 0.19 -1.23 120.40 120.15 1dby s VAL 79 Ca -0.10 -1.37 -0.30 0.00 0.00 0.00 0.00 61.98 60.21 1dby s VAL 79 Cb -0.15 -4.50 -0.02 0.00 0.00 0.00 0.00 36.38 31.71 1dby s VAL 79 CO 0.01 -1.13 1.03 -0.36 0.00 0.00 0.00 175.10 174.65 1dby s PHE 80 N 2.15 3.49 0.00 5.22 0.40 0.61 -0.59 117.98 129.25 1dby s PHE 80 Ca 0.14 1.55 0.00 0.00 -0.60 0.00 0.00 56.93 58.02 1dby s PHE 80 Cb -0.20 -3.21 0.00 0.00 0.51 0.00 0.00 43.02 40.11 1dby s PHE 80 CO 0.01 -0.35 0.00 1.17 0.70 0.00 0.00 175.22 176.75 1dby n LYS 81 N 4.89 2.19 -1.87 0.44 3.00 0.75 -0.35 118.16 127.21 1dby n LYS 81 Ca 0.09 0.00 -0.32 0.00 -0.00 0.00 0.00 58.31 58.08 1dby n LYS 81 Cb 0.49 0.00 -0.06 0.00 0.00 0.00 0.00 35.03 35.46 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 5.00 1.37 4.94 3.14 0.00 -1.26 -4.44 105.19 113.94 1dby n GLY 82 Ca 0.00 -0.82 0.00 0.00 0.00 0.00 0.00 46.02 45.20 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 5.50 1.77 3.89 -0.02 0.00 -1.26 -4.89 105.19 110.18 1dby n GLY 83 Ca 0.46 -0.03 -0.29 0.00 0.00 0.00 0.00 46.02 46.15 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 2.26 0.28 1.61 -0.14 -1.26 -4.75 119.74 117.74 1dby s LYS 84 Ca 0.00 0.26 -0.14 0.00 -1.36 0.00 0.00 55.97 54.73 1dby s LYS 84 Cb 0.00 -1.97 -0.08 0.00 -1.68 0.00 0.00 37.83 34.10 1dby s LYS 84 CO 0.00 -1.42 0.68 0.15 -0.76 0.00 0.00 175.35 174.00 1dby s LYS 85 N -5.48 3.97 -0.19 1.68 1.02 -1.26 -0.17 119.74 119.31 1dby s LYS 85 Ca 0.61 0.57 -0.15 0.00 0.02 0.00 0.00 55.97 57.01 1dby s LYS 85 Cb -0.11 -2.55 -0.10 0.00 -0.52 0.00 0.00 37.83 34.55 1dby s LYS 85 CO 0.50 0.23 -0.09 0.00 -0.92 0.00 0.00 175.35 175.08 1dby s GLU 87 N -2.40 0.96 -0.03 0.00 0.41 -1.21 -5.02 118.70 111.41 1dby s GLU 87 Ca -0.25 -1.45 -0.00 0.00 -0.41 0.00 0.00 54.97 52.87 1dby s GLU 87 Cb 0.05 -0.04 0.03 0.00 -1.78 0.00 0.00 34.13 32.39 1dby s GLU 87 CO 0.41 -0.16 0.02 -0.08 -0.49 0.00 0.00 175.26 174.96 1dby s THR 88 N -3.81 0.07 -0.01 3.63 -1.32 -1.26 -0.64 115.64 112.30 1dby s THR 88 Ca 0.21 0.17 -0.00 0.00 -1.21 0.00 0.00 61.69 60.85 1dby s THR 88 Cb 0.07 -0.20 0.01 0.00 -1.51 0.00 0.00 72.50 70.87 1dby s THR 88 CO 0.01 0.13 0.02 -0.63 -2.21 0.00 0.00 174.62 171.93 1dby s ILE 89 N 1.17 -0.02 0.25 5.08 1.01 0.57 -5.00 121.20 124.27 1dby s ILE 89 Ca -0.08 0.06 -0.30 0.00 0.00 0.00 0.00 60.65 60.33 1dby s ILE 89 Cb -0.13 -0.04 -0.09 0.00 0.01 0.00 0.00 42.46 42.21 1dby s ILE 89 CO -0.02 0.02 0.98 -0.63 0.00 0.00 0.00 174.94 175.29 1dby s ILE 90 N 0.30 3.93 0.00 2.92 1.01 -1.26 -0.08 121.20 128.02 1dby s ILE 90 Ca -0.02 1.95 0.00 0.00 0.00 0.00 0.00 60.65 62.57 1dby s ILE 90 Cb -0.04 -4.24 0.00 0.00 0.01 0.00 0.00 42.46 38.20 1dby s ILE 90 CO -0.01 0.46 0.00 0.61 0.00 0.00 0.00 174.94 176.01 1dby n GLY 91 N 1.41 0.02 4.49 6.18 0.00 -0.02 -4.59 105.19 112.69 1dby n GLY 91 Ca -0.02 -0.98 0.00 0.00 0.00 0.00 0.00 46.02 45.02 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 -1.80 4.61 0.00 -1.26 -4.93 120.51 114.12 1dby n ALA 92 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.10 1dby n ALA 92 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.40 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 0.00 4.02 0.49 0.00 -7.23 -1.26 -4.98 120.40 111.45 1dby s VAL 93 Ca 0.00 1.30 -0.23 0.00 -1.81 0.00 0.00 61.98 61.24 1dby s VAL 93 Cb 0.00 -3.54 -0.08 0.00 0.56 0.00 0.00 36.38 33.32 1dby s VAL 93 CO 0.00 -0.24 1.22 -2.65 -0.31 0.00 0.00 175.10 173.12 1dby n PRO 94 N -0.72 1.62 -0.01 4.82 -0.02 -1.26 -4.86 135.00 134.58 1dby n PRO 94 Ca 0.08 0.59 0.16 0.00 -2.02 0.00 0.00 63.50 62.30 1dby n PRO 94 Cb 0.53 -2.37 0.60 0.00 -0.02 0.00 0.00 33.50 32.24 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 1.56 0.17 -0.94 -0.52 1.63 -1.98 0.13 116.57 116.61 1dby h LYS 95 Ca -0.48 -0.01 0.17 0.00 -0.85 0.00 0.00 60.65 59.47 1dby h LYS 95 Cb 1.31 -0.04 -0.08 0.00 -0.60 0.00 0.00 32.23 32.82 1dby h LYS 95 CO 0.57 0.11 0.60 0.00 -3.45 0.00 0.00 179.45 177.28 1dby h ALA 96 N 1.75 1.83 -0.04 5.00 0.00 -1.99 0.32 119.26 126.12 1dby h ALA 96 Ca 0.24 0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.18 1dby h ALA 96 Cb 0.72 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.40 1dby h ALA 96 CO -0.04 -0.12 0.02 1.15 0.00 0.00 0.00 179.25 180.26 1dby h THR 97 N 0.69 1.07 -0.56 0.00 2.02 -1.07 -1.12 112.91 113.94 1dby h THR 97 Ca 0.50 -0.21 -0.03 0.00 0.77 0.00 0.00 66.41 67.44 1dby h THR 97 Cb 0.84 1.14 -0.03 0.00 -1.74 0.00 0.00 68.15 68.37 1dby h THR 97 CO -0.26 0.06 0.25 0.40 0.37 0.00 0.00 175.52 176.34 1dby h ILE 98 N -0.02 1.21 0.28 3.11 2.04 -1.10 -0.76 117.51 122.27 1dby h ILE 98 Ca 0.01 -0.63 0.00 0.00 1.00 0.00 0.00 64.86 65.24 1dby h ILE 98 Cb 0.08 0.58 -0.02 0.00 -0.74 0.00 0.00 36.82 36.72 1dby h ILE 98 CO -0.00 0.25 -0.27 0.58 0.00 0.00 0.00 178.15 178.70 1dby h VAL 99 N 0.77 0.42 -0.38 1.67 2.07 -0.28 0.19 116.25 120.70 1dby h VAL 99 Ca 0.19 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.77 1dby h VAL 99 Cb 0.16 0.42 -0.05 0.00 -1.52 0.00 0.00 31.29 30.29 1dby h VAL 99 CO -0.02 0.00 0.06 1.56 0.02 0.00 0.00 177.57 179.19 1dby h GLN 100 N -0.58 0.18 -0.54 1.57 4.20 -1.02 0.84 115.11 119.75 1dby h GLN 100 Ca -0.01 -0.01 0.01 0.00 0.06 0.00 0.00 58.65 58.70 1dby h GLN 100 Cb 0.53 -0.04 -0.03 0.00 0.30 0.00 0.00 27.48 28.24 1dby h GLN 100 CO -0.05 0.12 0.35 1.15 -0.67 0.00 0.00 178.83 179.73 1dby h THR 101 N 0.19 1.12 -0.07 -0.54 2.02 -0.71 -2.71 112.91 112.20 1dby h THR 101 Ca 0.19 -0.25 -0.12 0.00 0.77 0.00 0.00 66.41 67.00 1dby h THR 101 Cb 0.23 0.34 0.01 0.00 -1.74 0.00 0.00 68.15 66.98 1dby h THR 101 CO -0.25 0.13 -0.42 1.62 0.37 0.00 0.00 175.52 176.96 1dby h VAL 102 N 0.72 1.40 -0.76 3.16 3.04 -0.20 -3.26 116.25 120.36 1dby h VAL 102 Ca 0.20 -1.81 0.17 0.00 -1.01 0.00 0.00 66.70 64.26 1dby h VAL 102 Cb -0.07 2.31 -0.13 0.00 -2.01 0.00 0.00 31.29 31.40 1dby h VAL 102 CO -0.05 0.53 0.04 -0.33 -1.01 0.00 0.00 177.57 176.75 1dby h GLU 103 N -0.04 0.12 -1.00 4.17 5.08 -0.77 0.19 114.58 122.32 1dby h GLU 103 Ca -0.03 -0.01 0.33 0.00 -1.00 0.00 0.00 59.36 58.65 1dby h GLU 103 Cb 1.08 -0.03 -0.15 0.00 0.50 0.00 0.00 28.75 30.15 1dby h GLU 103 CO 0.09 0.08 0.57 -0.22 -1.00 0.00 0.00 179.01 178.53 1dby h LYS 104 N 0.12 0.30 -0.66 2.33 3.64 -1.52 0.11 116.57 120.89 1dby h LYS 104 Ca 0.42 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.78 1dby h LYS 104 Cb 0.75 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.50 1dby h LYS 104 CO -0.65 0.20 0.00 0.66 -2.27 0.00 0.00 179.45 177.39 1dby n TYR 105 N -5.06 0.88 -2.93 1.91 4.01 0.62 -4.63 117.16 111.97 1dby n TYR 105 Ca 0.32 -0.48 -0.40 0.00 -0.16 0.00 0.00 57.90 57.19 1dby n TYR 105 Cb 1.01 -0.00 0.00 0.00 -0.31 0.00 0.00 39.34 40.03 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 1.50 6.32 0.00 7.72 7.99 0.02 -5.10 117.00 135.46 1dby n LEU 106 Ca 0.23 -5.33 0.00 0.00 -0.01 0.00 0.00 56.01 50.89 1dby n LEU 106 Cb 0.60 -1.12 0.00 0.00 -0.11 0.00 0.00 43.42 42.78 1dby n LEU 106 CO 0.16 1.90 0.00 -3.20 -1.51 0.00 0.00 177.39 174.73