#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 0.15 -6.39 3.17 5.08 -1.97 -3.40 114.58 111.22 1dby h GLU 2 Ca 0.00 -0.07 -0.55 0.00 -1.00 0.00 0.00 59.36 57.75 1dby h GLU 2 Cb 0.00 -0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.21 1dby h GLU 2 CO 0.00 0.52 0.08 0.00 -1.00 0.00 0.00 179.01 178.61 1dby s ALA 3 N -4.59 3.51 0.95 3.43 0.00 -1.26 -4.83 121.76 118.98 1dby s ALA 3 Ca -0.15 0.21 -0.15 0.00 0.00 0.00 0.00 51.96 51.88 1dby s ALA 3 Cb 0.04 -2.81 0.17 0.00 0.00 0.00 0.00 23.12 20.52 1dby s ALA 3 CO 0.70 0.34 1.21 0.20 0.00 0.00 0.00 175.76 178.22 1dby s GLY 4 N -1.14 1.65 -0.08 0.00 0.00 -0.07 -4.85 107.32 102.83 1dby s GLY 4 Ca 0.33 -0.86 0.04 0.00 0.00 0.00 0.00 44.72 44.23 1dby s GLY 4 CO 0.23 -0.19 -0.22 0.00 0.00 0.00 0.00 173.10 172.92 1dby s ALA 5 N -3.53 2.29 0.20 3.20 0.00 -1.26 -0.48 121.76 122.18 1dby s ALA 5 Ca 0.68 -0.99 0.03 0.00 0.00 0.00 0.00 51.96 51.69 1dby s ALA 5 Cb -0.09 -0.84 -0.05 0.00 0.00 0.00 0.00 23.12 22.14 1dby s ALA 5 CO 0.53 0.35 -0.01 0.14 0.00 0.00 0.00 175.76 176.76 1dby s VAL 6 N 0.06 0.94 0.21 0.00 -7.23 0.19 -4.87 120.40 109.70 1dby s VAL 6 Ca -0.09 -2.02 -0.06 0.00 -1.81 0.00 0.00 61.98 58.00 1dby s VAL 6 Cb -0.15 -2.21 -0.03 0.00 0.56 0.00 0.00 36.38 34.55 1dby s VAL 6 CO 0.06 -0.43 0.26 0.21 -0.31 0.00 0.00 175.10 174.89 1dby s ASN 7 N -3.24 0.07 0.24 4.85 3.84 -1.26 -2.63 114.94 116.80 1dby s ASN 7 Ca 0.25 -1.18 -0.15 0.00 0.21 0.00 0.00 52.86 51.99 1dby s ASN 7 Cb 0.05 0.45 0.29 0.00 -0.55 0.00 0.00 41.25 41.49 1dby s ASN 7 CO 0.06 -0.94 1.56 -0.78 -2.79 0.00 0.00 177.10 174.21 1dby h ASP 8 N 2.50 -1.28 -0.06 -4.21 3.58 -1.89 0.34 116.42 115.40 1dby h ASP 8 Ca -0.32 0.30 0.04 0.00 0.42 0.00 0.00 57.03 57.47 1dby h ASP 8 Cb 1.25 0.71 -0.05 0.00 1.72 0.00 0.00 39.33 42.96 1dby h ASP 8 CO 0.47 -0.30 -0.22 0.44 -2.88 0.00 0.00 179.24 176.75 1dby h ASP 9 N -0.01 -0.66 0.83 2.28 5.19 -1.97 -3.04 116.42 119.05 1dby h ASP 9 Ca 0.38 0.10 -0.21 0.00 -0.62 0.00 0.00 57.03 56.67 1dby h ASP 9 Cb 0.63 0.28 -0.02 0.00 0.18 0.00 0.00 39.33 40.40 1dby h ASP 9 CO -0.98 -0.28 -0.99 0.71 -3.12 0.00 0.00 179.24 174.58 1dby h THR 10 N -0.31 1.62 -0.95 0.35 1.35 -1.61 -3.31 112.91 110.04 1dby h THR 10 Ca 0.08 -3.11 0.30 0.00 -0.55 0.00 0.00 66.41 63.13 1dby h THR 10 Cb 0.42 2.74 -0.16 0.00 -1.73 0.00 0.00 68.15 69.42 1dby h THR 10 CO -0.24 0.89 0.28 0.15 -0.25 0.00 0.00 175.52 176.36 1dby h PHE 11 N 0.03 0.41 0.02 4.73 3.57 -0.27 0.11 116.94 125.55 1dby h PHE 11 Ca -0.04 0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.52 1dby h PHE 11 Cb 1.70 -0.02 -0.01 0.00 2.79 0.00 0.00 35.95 40.41 1dby h PHE 11 CO 0.02 -0.34 -0.12 0.87 -2.23 0.00 0.00 178.31 176.51 1dby h LYS 12 N 0.11 -0.16 -0.69 1.11 1.57 -1.65 0.43 116.57 117.30 1dby h LYS 12 Ca 0.66 0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 59.44 1dby h LYS 12 Cb 1.48 0.04 -0.03 0.00 0.08 0.00 0.00 32.23 33.79 1dby h LYS 12 CO -0.76 -0.11 0.40 -0.91 -0.57 0.00 0.00 179.45 177.50 1dby h ASN 13 N -0.17 0.84 0.11 0.86 -0.26 -1.39 0.92 115.58 116.50 1dby h ASN 13 Ca -0.00 -0.08 -0.27 0.00 -0.56 0.00 0.00 56.30 55.39 1dby h ASN 13 Cb 0.17 -0.21 -0.00 0.00 -1.06 0.00 0.00 38.32 37.22 1dby h ASN 13 CO -0.07 0.68 -1.36 0.58 -1.06 0.00 0.00 177.43 176.19 1dby h VAL 14 N 0.94 1.06 0.00 2.81 2.07 -0.79 -3.35 116.25 118.99 1dby h VAL 14 Ca 0.24 -2.40 -0.27 0.00 0.82 0.00 0.00 66.70 65.09 1dby h VAL 14 Cb 0.01 2.74 -0.04 0.00 -1.52 0.00 0.00 31.29 32.48 1dby h VAL 14 CO -0.04 0.70 -1.86 0.52 0.02 0.00 0.00 177.57 176.91 1dby n VAL 15 N -3.95 1.52 0.21 2.57 0.31 0.14 -4.46 118.33 114.67 1dby n VAL 15 Ca -0.24 -0.16 -0.12 0.00 -0.01 0.00 0.00 64.34 63.81 1dby n VAL 15 Cb 0.89 -2.08 -0.06 0.00 -0.91 0.00 0.00 33.84 31.68 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 -1.00 -0.49 -4.17 7.52 3.38 -0.68 -3.28 115.31 116.58 1dby h LEU 16 Ca -0.41 -0.09 -0.26 0.00 0.09 0.00 0.00 57.88 57.22 1dby h LEU 16 Cb 1.34 0.13 -0.05 0.00 0.09 0.00 0.00 40.66 42.16 1dby h LEU 16 CO -0.25 -0.07 0.28 -0.62 0.09 0.00 0.00 178.44 177.87 1dby n GLU 17 N -5.18 2.22 -3.16 1.13 1.02 0.27 -2.84 120.64 114.10 1dby n GLU 17 Ca -0.09 -1.16 -0.29 0.00 -0.02 0.00 0.00 57.16 55.59 1dby n GLU 17 Cb 0.28 -2.11 -0.03 0.00 -0.02 0.00 0.00 31.44 29.56 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 2.05 6.47 0.00 1.62 1.04 -1.24 -4.74 113.70 118.91 1dby s SER 18 Ca 0.66 0.87 0.00 0.00 0.48 0.00 0.00 55.95 57.96 1dby s SER 18 Cb 0.29 -2.21 0.00 0.00 0.10 0.00 0.00 66.02 64.20 1dby s SER 18 CO -0.01 -0.27 0.00 -1.54 0.98 0.00 0.00 173.24 172.40 1dby n SER 19 N -1.06 0.00 -4.86 7.02 3.41 -1.26 -4.76 113.62 112.11 1dby n SER 19 Ca -0.00 0.00 -0.31 0.00 -0.26 0.00 0.00 58.87 58.30 1dby n SER 19 Cb 0.54 -0.41 0.01 0.00 -0.26 0.00 0.00 64.21 64.09 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 -0.86 4.57 0.93 -3.33 -7.23 -1.26 -4.92 120.40 108.29 1dby s VAL 20 Ca 0.00 0.91 -0.11 0.00 -1.81 0.00 0.00 61.98 60.96 1dby s VAL 20 Cb 0.00 -3.77 0.10 0.00 0.56 0.00 0.00 36.38 33.26 1dby s VAL 20 CO 0.00 -1.02 0.82 -2.65 -0.31 0.00 0.00 175.10 171.94 1dby n PRO 21 N -2.59 -0.36 -3.69 4.82 -0.02 -1.26 -4.76 135.00 127.13 1dby n PRO 21 Ca 0.06 -0.05 -0.21 0.00 -2.02 0.00 0.00 63.50 61.28 1dby n PRO 21 Cb 0.54 -2.15 -0.18 0.00 -0.02 0.00 0.00 33.50 31.70 1dby n PRO 21 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1dby s VAL 22 N -2.51 0.03 -0.42 -1.45 1.01 0.67 -0.46 120.40 117.28 1dby s VAL 22 Ca 0.63 0.28 -0.19 0.00 0.00 0.00 0.00 61.98 62.70 1dby s VAL 22 Cb -0.22 -0.30 0.02 0.00 0.00 0.00 0.00 36.38 35.87 1dby s VAL 22 CO 0.62 0.16 0.53 -0.76 0.00 0.00 0.00 175.10 175.65 1dby s LEU 23 N 2.11 4.67 -0.34 3.92 1.02 0.55 -0.52 118.68 130.08 1dby s LEU 23 Ca 0.05 -0.49 -0.11 0.00 0.02 0.00 0.00 54.13 53.60 1dby s LEU 23 Cb -0.12 -2.55 0.01 0.00 0.02 0.00 0.00 46.19 43.54 1dby s LEU 23 CO -0.04 -0.66 0.19 -0.69 0.02 0.00 0.00 176.35 175.16 1dby s VAL 24 N 2.45 4.69 -0.38 -1.59 1.01 -0.10 -0.31 120.40 126.17 1dby s VAL 24 Ca 0.17 -0.57 -0.24 0.00 0.00 0.00 0.00 61.98 61.34 1dby s VAL 24 Cb -0.16 -3.48 0.01 0.00 0.00 0.00 0.00 36.38 32.76 1dby s VAL 24 CO 0.16 -0.06 0.84 -0.62 0.00 0.00 0.00 175.10 175.41 1dby s ASP 25 N 1.61 6.58 -0.39 3.32 2.15 0.41 -0.79 116.67 129.56 1dby s ASP 25 Ca 0.04 0.39 -0.29 0.00 0.43 0.00 0.00 52.55 53.12 1dby s ASP 25 Cb -0.18 -2.42 0.02 0.00 -0.30 0.00 0.00 42.92 40.04 1dby s ASP 25 CO 0.07 -0.80 1.15 -0.36 -0.17 0.00 0.00 175.17 175.05 1dby s PHE 26 N 3.27 2.91 0.21 -5.34 0.40 0.03 -0.47 117.98 118.99 1dby s PHE 26 Ca 0.34 0.92 0.02 0.00 -0.60 0.00 0.00 56.93 57.60 1dby s PHE 26 Cb -0.13 -4.08 -0.01 0.00 0.51 0.00 0.00 43.02 39.31 1dby s PHE 26 CO 0.18 -1.16 0.06 -2.67 0.70 0.00 0.00 175.22 172.34 1dby n TRP 27 N 7.49 0.14 -3.56 0.36 4.27 -0.02 -3.46 117.44 122.66 1dby n TRP 27 Ca 0.13 -1.29 -0.09 0.00 -3.89 0.00 0.00 57.50 52.36 1dby n TRP 27 Cb 0.48 -0.02 -0.04 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 -2.53 -1.93 0.16 -1.67 0.00 -1.26 -0.50 121.76 114.02 1dby s ALA 28 Ca 0.09 1.45 -0.12 0.00 0.00 0.00 0.00 51.96 53.38 1dby s ALA 28 Cb 0.00 -0.36 0.05 0.00 0.00 0.00 0.00 23.12 22.81 1dby s ALA 28 CO 0.06 -0.45 1.66 -1.00 0.00 0.00 0.00 175.76 176.03 1dby h PRO 29 N 2.30 0.90 0.00 0.00 0.13 -2.00 -1.92 132.00 131.40 1dby h PRO 29 Ca -0.18 -0.23 0.00 0.00 -0.87 0.00 0.00 66.00 64.72 1dby h PRO 29 Cb 1.19 -0.11 0.00 0.00 0.13 0.00 0.00 31.00 32.21 1dby h PRO 29 CO 0.29 0.86 0.00 0.11 -0.23 0.00 0.00 178.00 179.03 1dby h TRP 30 N 0.79 0.00 -1.88 1.56 5.08 -2.03 -3.41 115.95 116.06 1dby h TRP 30 Ca 0.17 0.00 -0.51 0.00 1.08 0.00 0.00 58.89 59.63 1dby h TRP 30 Cb 0.39 0.00 -0.06 0.00 -3.00 0.00 0.00 29.16 26.48 1dby h TRP 30 CO 0.03 0.00 1.18 0.00 -1.28 0.00 0.00 178.44 178.37 1dby n GLY 32 N 5.85 -1.85 0.21 0.00 0.00 -1.26 -1.16 105.19 106.98 1dby n GLY 32 Ca 0.17 0.39 -0.09 0.00 0.00 0.00 0.00 46.02 46.49 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 0.66 -0.63 1.61 0.13 -1.96 -3.09 132.00 128.72 1dby h PRO 33 Ca 0.01 -0.14 0.12 0.00 -0.87 0.00 0.00 66.00 65.12 1dby h PRO 33 Cb 0.03 -0.09 -0.12 0.00 0.13 0.00 0.00 31.00 30.94 1dby h PRO 33 CO -0.06 0.65 -0.17 0.00 -0.23 0.00 0.00 178.00 178.18 1dby h ARG 35 N -0.02 -0.02 0.00 0.00 2.43 -1.05 0.27 114.38 116.00 1dby h ARG 35 Ca 0.30 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.47 1dby h ARG 35 Cb 0.47 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.03 1dby h ARG 35 CO -0.65 -0.01 -0.69 0.44 -1.51 0.00 0.00 179.97 177.55 1dby n ILE 36 N -5.46 0.22 0.05 1.20 -6.64 -0.20 -3.96 119.36 104.56 1dby n ILE 36 Ca 0.08 -0.20 -0.04 0.00 -1.77 0.00 0.00 62.75 60.83 1dby n ILE 36 Cb 0.35 0.05 -0.09 0.00 -1.44 0.00 0.00 39.64 38.51 1dby n ILE 36 CO 0.00 0.00 0.00 -0.29 -1.77 0.00 0.00 176.55 174.49 1dby h ILE 37 N 0.00 0.97 -0.98 7.28 6.09 0.67 -3.39 117.51 128.16 1dby h ILE 37 Ca 0.00 -2.60 0.23 0.00 -1.37 0.00 0.00 64.86 61.13 1dby h ILE 37 Cb 0.68 2.42 -0.18 0.00 0.47 0.00 0.00 36.82 40.20 1dby h ILE 37 CO 0.00 0.55 -0.11 0.00 -3.07 0.00 0.00 178.15 175.52 1dby n ALA 38 N -2.39 0.37 -0.15 0.18 0.00 -0.01 0.33 120.51 118.83 1dby n ALA 38 Ca -0.07 1.06 -0.02 0.00 0.00 0.00 0.00 53.44 54.42 1dby n ALA 38 Cb 0.90 -0.70 0.22 0.00 0.00 0.00 0.00 19.45 19.87 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 0.86 0.16 0.00 0.11 -1.84 -0.13 132.00 131.16 1dby h PRO 39 Ca 0.53 -0.13 -0.01 0.00 0.11 0.00 0.00 66.00 66.50 1dby h PRO 39 Cb 0.97 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 31.93 1dby h PRO 39 CO -0.96 0.70 -0.08 0.28 -0.21 0.00 0.00 178.00 177.73 1dby h VAL 40 N 0.85 0.92 -0.68 3.15 2.07 -0.37 -1.47 116.25 120.71 1dby h VAL 40 Ca 0.20 -0.33 0.13 0.00 0.82 0.00 0.00 66.70 67.53 1dby h VAL 40 Cb 0.17 1.12 -0.10 0.00 -1.52 0.00 0.00 31.29 30.96 1dby h VAL 40 CO -0.02 0.08 0.17 0.58 0.02 0.00 0.00 177.57 178.40 1dby h VAL 41 N -0.37 0.59 0.47 2.57 2.07 -0.42 -1.56 116.25 119.61 1dby h VAL 41 Ca -0.02 -0.10 -0.02 0.00 0.82 0.00 0.00 66.70 67.38 1dby h VAL 41 Cb 0.29 0.28 -0.01 0.00 -1.52 0.00 0.00 31.29 30.33 1dby h VAL 41 CO 0.04 0.05 -0.40 0.44 0.02 0.00 0.00 177.57 177.72 1dby h ASP 42 N 0.29 -1.07 -0.10 0.57 3.32 -0.76 -3.05 116.42 115.63 1dby h ASP 42 Ca 0.37 0.08 0.02 0.00 0.02 0.00 0.00 57.03 57.52 1dby h ASP 42 Cb 0.58 0.34 -0.00 0.00 0.22 0.00 0.00 39.33 40.47 1dby h ASP 42 CO -0.44 -0.55 0.07 1.05 -1.72 0.00 0.00 179.24 177.64 1dby h GLU 43 N -0.85 0.02 0.00 3.56 4.11 -0.67 0.56 114.58 121.30 1dby h GLU 43 Ca -0.06 -0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.36 1dby h GLU 43 Cb 0.72 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.96 1dby h GLU 43 CO -0.01 0.01 -0.02 0.82 0.07 0.00 0.00 179.01 179.88 1dby h ILE 44 N 0.02 0.63 -1.00 -1.06 2.04 -1.19 0.17 117.51 117.12 1dby h ILE 44 Ca 0.04 -0.09 0.08 0.00 1.00 0.00 0.00 64.86 65.90 1dby h ILE 44 Cb 0.15 1.06 -0.07 0.00 -0.74 0.00 0.00 36.82 37.21 1dby h ILE 44 CO -0.00 0.02 0.64 0.00 0.00 0.00 0.00 178.15 178.81 1dby h ALA 45 N 1.98 1.43 -0.50 1.87 0.00 -0.90 0.23 119.26 123.37 1dby h ALA 45 Ca -0.00 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.83 1dby h ALA 45 Cb 0.05 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 1dby h ALA 45 CO 0.00 0.36 0.04 0.78 0.00 0.00 0.00 179.25 180.44 1dby h GLY 46 N 1.11 0.91 0.82 0.00 0.00 -0.79 -2.71 103.07 102.41 1dby h GLY 46 Ca 0.45 -0.64 0.06 0.00 0.00 0.00 0.00 47.33 47.20 1dby h GLY 46 CO -0.21 0.59 0.62 0.83 0.00 0.00 0.00 176.54 178.38 1dby h GLU 47 N 0.71 1.10 -2.43 4.80 4.39 -0.63 -3.00 114.58 119.53 1dby h GLU 47 Ca 0.15 -0.07 -0.35 0.00 0.34 0.00 0.00 59.36 59.43 1dby h GLU 47 Cb 0.45 -0.25 -0.03 0.00 -0.10 0.00 0.00 28.75 28.83 1dby h GLU 47 CO 0.02 0.73 1.18 0.66 -1.16 0.00 0.00 179.01 180.44 1dby n TYR 48 N -4.48 0.86 -0.15 4.33 4.01 -0.05 -4.25 117.16 117.43 1dby n TYR 48 Ca 0.14 -1.99 -0.08 0.00 -0.16 0.00 0.00 57.90 55.81 1dby n TYR 48 Cb 0.17 -1.85 0.00 0.00 -0.31 0.00 0.00 39.34 37.35 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 3.92 0.63 -6.23 -0.72 3.11 -1.68 -3.02 116.57 112.58 1dby h LYS 49 Ca 0.42 -0.09 -0.57 0.00 -2.81 0.00 0.00 60.65 57.61 1dby h LYS 49 Cb 0.99 -0.12 -0.03 0.00 -1.00 0.00 0.00 32.23 32.08 1dby h LYS 49 CO 0.81 0.52 1.29 -0.51 -2.81 0.00 0.00 179.45 178.76 1dby s ASP 50 N -5.79 5.80 -0.44 4.20 1.11 -1.26 -4.74 116.67 115.55 1dby s ASP 50 Ca -0.13 1.23 -0.28 0.00 0.18 0.00 0.00 52.55 53.55 1dby s ASP 50 Cb 0.11 -2.53 -0.00 0.00 1.07 0.00 0.00 42.92 41.57 1dby s ASP 50 CO 0.75 -1.79 1.57 -0.54 1.18 0.00 0.00 175.17 176.34 1dby s LYS 51 N 5.84 3.35 -0.14 8.23 -0.14 -1.20 -4.95 119.74 130.72 1dby s LYS 51 Ca 0.80 0.95 0.01 0.00 -1.36 0.00 0.00 55.97 56.36 1dby s LYS 51 Cb -0.22 -4.13 0.02 0.00 -1.68 0.00 0.00 37.83 31.82 1dby s LYS 51 CO 0.32 -1.85 -0.17 -1.17 -0.76 0.00 0.00 175.35 171.73 1dby s LEU 52 N 6.37 1.84 0.44 3.17 2.96 -1.15 -4.37 118.68 127.94 1dby s LEU 52 Ca 0.65 -0.52 -0.21 0.00 -0.22 0.00 0.00 54.13 53.83 1dby s LEU 52 Cb -0.15 -1.26 -0.10 0.00 0.50 0.00 0.00 46.19 45.18 1dby s LEU 52 CO 0.30 -0.01 0.97 -0.75 -1.32 0.00 0.00 176.35 175.54 1dby s LYS 53 N 1.24 4.15 -0.02 1.98 2.36 0.40 -4.76 119.74 125.09 1dby s LYS 53 Ca 0.01 1.18 0.05 0.00 -2.55 0.00 0.00 55.97 54.66 1dby s LYS 53 Cb -0.14 -2.19 -0.01 0.00 -1.05 0.00 0.00 37.83 34.44 1dby s LYS 53 CO -0.08 -0.10 -0.18 0.00 1.55 0.00 0.00 175.35 176.54 1dby s VAL 55 N -0.28 0.06 -0.18 0.00 1.01 0.58 -0.89 120.40 120.69 1dby s VAL 55 Ca 0.04 -1.35 -0.02 0.00 0.00 0.00 0.00 61.98 60.65 1dby s VAL 55 Cb -0.08 -1.84 0.05 0.00 0.00 0.00 0.00 36.38 34.51 1dby s VAL 55 CO 0.00 -0.28 0.00 -0.54 0.00 0.00 0.00 175.10 174.29 1dby s LYS 56 N -3.96 0.96 -0.33 2.72 1.02 0.37 -0.44 119.74 120.07 1dby s LYS 56 Ca 0.17 -0.49 -0.18 0.00 0.02 0.00 0.00 55.97 55.49 1dby s LYS 56 Cb 0.03 -2.07 -0.01 0.00 -0.52 0.00 0.00 37.83 35.26 1dby s LYS 56 CO 0.00 -0.56 0.53 -1.17 -0.92 0.00 0.00 175.35 173.23 1dby s LEU 57 N 1.75 4.26 -0.42 3.17 1.98 0.38 -0.64 118.68 129.16 1dby s LEU 57 Ca -0.01 0.14 -0.29 0.00 -2.89 0.00 0.00 54.13 51.08 1dby s LEU 57 Cb -0.17 -2.64 0.01 0.00 0.66 0.00 0.00 46.19 44.05 1dby s LEU 57 CO -0.07 -0.45 1.45 0.21 -1.89 0.00 0.00 176.35 175.60 1dby s ASN 58 N 1.72 6.27 0.33 3.68 3.84 -1.08 -0.84 114.94 128.85 1dby s ASN 58 Ca 0.20 0.83 0.06 0.00 0.21 0.00 0.00 52.86 54.16 1dby s ASN 58 Cb -0.15 -2.54 0.58 0.00 -0.55 0.00 0.00 41.25 38.58 1dby s ASN 58 CO 0.13 -1.49 1.80 0.74 -2.79 0.00 0.00 177.10 175.49 1dby h THR 59 N 6.50 1.24 -0.33 -5.21 2.02 -1.07 0.30 112.91 116.36 1dby h THR 59 Ca -0.28 -1.10 -0.15 0.00 0.77 0.00 0.00 66.41 65.65 1dby h THR 59 Cb 1.11 1.33 -0.01 0.00 -1.74 0.00 0.00 68.15 68.85 1dby h THR 59 CO 1.09 0.34 -0.40 -0.78 0.37 0.00 0.00 175.52 176.15 1dby h ASP 60 N 0.31 0.86 0.92 4.18 1.82 -1.90 -1.23 116.42 121.37 1dby h ASP 60 Ca 0.05 -0.39 -0.22 0.00 -0.39 0.00 0.00 57.03 56.08 1dby h ASP 60 Cb 0.56 -0.24 -0.03 0.00 0.68 0.00 0.00 39.33 40.30 1dby h ASP 60 CO 0.04 1.15 -1.11 -0.08 -1.61 0.00 0.00 179.24 177.62 1dby h GLU 61 N 0.66 0.00 -1.87 0.28 4.57 -1.86 -3.37 114.58 112.98 1dby h GLU 61 Ca 0.05 0.00 -0.56 0.00 -1.18 0.00 0.00 59.36 57.68 1dby h GLU 61 Cb 0.96 0.00 -0.42 0.00 -0.16 0.00 0.00 28.75 29.13 1dby h GLU 61 CO 0.09 0.88 -0.79 0.45 -1.18 0.00 0.00 179.01 178.46 1dby n SER 62 N -3.29 3.85 0.22 1.04 2.88 0.10 -4.75 113.62 113.67 1dby n SER 62 Ca -0.03 -3.53 0.05 0.00 -1.33 0.00 0.00 58.87 54.03 1dby n SER 62 Cb 0.95 -0.53 0.48 0.00 -0.75 0.00 0.00 64.21 64.36 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 2.85 0.00 -0.02 -1.46 0.13 -1.40 -3.03 132.00 129.07 1dby h PRO 63 Ca 0.16 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 1dby h PRO 63 Cb 0.76 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.89 1dby h PRO 63 CO 0.76 0.24 -0.04 -0.91 -0.23 0.00 0.00 178.00 177.83 1dby h ASN 64 N 0.00 -0.12 0.24 1.44 2.35 -1.88 0.25 115.58 117.86 1dby h ASN 64 Ca -0.00 0.02 0.01 0.00 -0.55 0.00 0.00 56.30 55.77 1dby h ASN 64 Cb 0.44 0.05 -0.03 0.00 0.05 0.00 0.00 38.32 38.83 1dby h ASN 64 CO 0.03 -0.03 -0.38 0.58 -1.65 0.00 0.00 177.43 175.98 1dby h VAL 65 N -0.03 0.22 -0.58 2.81 2.07 -1.96 -1.64 116.25 117.14 1dby h VAL 65 Ca 0.00 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.64 1dby h VAL 65 Cb 0.04 0.22 -0.09 0.00 -1.52 0.00 0.00 31.29 29.94 1dby h VAL 65 CO -0.03 0.00 0.06 0.00 0.02 0.00 0.00 177.57 177.62 1dby h ALA 66 N -0.21 0.62 -0.01 1.67 0.00 -1.42 0.12 119.26 120.03 1dby h ALA 66 Ca -0.00 0.15 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 1dby h ALA 66 Cb 0.67 0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.69 1dby h ALA 66 CO -0.15 -0.35 0.00 0.66 0.00 0.00 0.00 179.25 179.41 1dby h SER 67 N 0.19 0.01 -0.99 0.00 4.64 -0.25 0.33 113.55 117.48 1dby h SER 67 Ca 0.30 -0.17 0.13 0.00 -0.47 0.00 0.00 61.79 61.58 1dby h SER 67 Cb 0.46 -0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 62.46 1dby h SER 67 CO -0.44 0.18 0.62 -0.33 -0.87 0.00 0.00 176.83 175.99 1dby h GLU 68 N -0.15 0.91 0.00 4.77 5.08 -0.64 -1.07 114.58 123.48 1dby h GLU 68 Ca 0.00 -0.05 -0.07 0.00 -1.00 0.00 0.00 59.36 58.24 1dby h GLU 68 Cb 0.17 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.20 1dby h GLU 68 CO -0.00 0.60 -0.32 1.88 -1.00 0.00 0.00 179.01 180.17 1dby h TYR 69 N 0.94 0.00 0.00 4.33 -1.99 -0.44 -3.48 116.97 116.34 1dby h TYR 69 Ca 0.50 0.00 0.00 0.00 2.00 0.00 0.00 58.73 61.23 1dby h TYR 69 Cb 0.55 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.28 1dby h TYR 69 CO -0.01 0.32 0.00 0.41 -0.00 0.00 0.00 178.16 178.88 1dby n GLY 70 N 1.06 1.07 3.56 3.88 0.00 0.90 -4.99 105.19 110.67 1dby n GLY 70 Ca 0.02 -0.49 -0.43 0.00 0.00 0.00 0.00 46.02 45.12 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 -2.00 4.25 -1.68 -0.61 1.01 0.22 -4.74 121.20 117.64 1dby s ILE 71 Ca 0.00 -1.97 0.29 0.00 0.00 0.00 0.00 60.65 58.97 1dby s ILE 71 Cb 0.00 -5.15 0.64 0.00 0.01 0.00 0.00 42.46 37.96 1dby s ILE 71 CO 0.00 -1.96 2.02 -2.11 0.00 0.00 0.00 174.94 172.89 1dby n ARG 72 N 8.01 0.63 -3.57 2.79 1.85 -1.26 -4.78 116.66 120.33 1dby n ARG 72 Ca 0.46 0.01 -0.12 0.00 -1.00 0.00 0.00 57.85 57.20 1dby n ARG 72 Cb 0.46 -1.50 -0.05 0.00 -1.05 0.00 0.00 32.46 30.32 1dby n ARG 72 CO 0.00 0.00 0.00 -1.12 -0.01 0.00 0.00 177.63 176.50 1dby s SER 73 N -2.32 -0.39 0.06 2.89 0.01 -1.26 -5.18 113.70 107.51 1dby s SER 73 Ca 0.34 -0.02 -0.08 0.00 1.31 0.00 0.00 55.95 57.50 1dby s SER 73 Cb 0.19 0.50 -0.00 0.00 0.21 0.00 0.00 66.02 66.92 1dby s SER 73 CO 0.39 -0.80 0.16 0.27 0.41 0.00 0.00 173.24 173.67 1dby s ILE 74 N -3.11 0.14 0.41 1.44 -4.36 -1.26 -4.66 121.20 109.80 1dby s ILE 74 Ca -0.02 -1.14 -0.23 0.00 -0.26 0.00 0.00 60.65 59.01 1dby s ILE 74 Cb 0.00 -1.16 -0.09 0.00 1.25 0.00 0.00 42.46 42.46 1dby s ILE 74 CO -0.07 -0.63 1.03 -2.16 0.24 0.00 0.00 174.94 173.36 1dby s PRO 75 N -3.30 4.12 -0.26 0.37 0.04 -1.26 -4.99 135.00 129.72 1dby s PRO 75 Ca 0.01 1.44 -0.09 0.00 0.04 0.00 0.00 61.00 62.40 1dby s PRO 75 Cb 0.03 -2.44 0.11 0.00 0.04 0.00 0.00 34.50 32.24 1dby s PRO 75 CO -0.08 -0.17 0.55 0.99 0.04 0.00 0.00 177.00 178.34 1dby s THR 76 N -1.76 -0.82 -0.32 1.26 2.01 -1.22 -1.19 115.64 113.59 1dby s THR 76 Ca 0.60 0.07 -0.15 0.00 0.31 0.00 0.00 61.69 62.52 1dby s THR 76 Cb -0.20 -0.86 -0.02 0.00 0.01 0.00 0.00 72.50 71.43 1dby s THR 76 CO 0.25 0.03 0.35 -0.63 -0.69 0.00 0.00 174.62 173.93 1dby s ILE 77 N 2.73 5.18 0.04 1.82 1.01 0.73 -0.79 121.20 131.91 1dby s ILE 77 Ca -0.04 0.16 -0.02 0.00 0.00 0.00 0.00 60.65 60.74 1dby s ILE 77 Cb -0.12 -3.78 -0.04 0.00 0.01 0.00 0.00 42.46 38.53 1dby s ILE 77 CO -0.16 -0.02 0.23 -0.04 0.00 0.00 0.00 174.94 174.94 1dby s MET 78 N 2.01 3.48 -0.44 2.79 -1.94 0.03 -0.08 119.30 125.16 1dby s MET 78 Ca 0.12 -0.31 -0.12 0.00 -1.71 0.00 0.00 55.69 53.67 1dby s MET 78 Cb -0.16 -3.04 0.07 0.00 2.01 0.00 0.00 34.83 33.70 1dby s MET 78 CO 0.11 0.62 0.31 0.08 -0.01 0.00 0.00 175.02 176.14 1dby s VAL 79 N -1.43 4.70 -0.19 -6.03 1.01 0.01 -0.93 120.40 117.54 1dby s VAL 79 Ca 0.32 -1.21 -0.21 0.00 0.00 0.00 0.00 61.98 60.89 1dby s VAL 79 Cb -0.13 -3.82 -0.03 0.00 0.00 0.00 0.00 36.38 32.40 1dby s VAL 79 CO 0.23 -0.52 0.61 -0.36 0.00 0.00 0.00 175.10 175.06 1dby s PHE 80 N 1.53 3.39 -1.07 5.22 0.40 0.32 -0.02 117.98 127.75 1dby s PHE 80 Ca 0.03 0.92 0.10 0.00 -0.60 0.00 0.00 56.93 57.38 1dby s PHE 80 Cb -0.23 -2.77 0.17 0.00 0.51 0.00 0.00 43.02 40.70 1dby s PHE 80 CO 0.04 -0.14 1.01 0.36 0.70 0.00 0.00 175.22 177.20 1dby n LYS 81 N 4.91 1.57 0.00 0.44 0.00 -1.05 -0.23 118.16 123.80 1dby n LYS 81 Ca -0.02 -1.53 0.00 0.00 -0.00 0.00 0.00 58.31 56.77 1dby n LYS 81 Cb 0.50 -1.22 0.00 0.00 -0.00 0.00 0.00 35.03 34.31 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 0.50 1.93 5.26 2.58 0.00 -1.26 -4.77 105.19 109.43 1dby n GLY 82 Ca 0.08 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.09 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 1.68 3.98 -0.02 0.00 -1.13 -4.81 105.19 104.89 1dby n GLY 83 Ca 0.00 0.07 -0.19 0.00 0.00 0.00 0.00 46.02 45.90 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 2.60 0.69 1.61 -0.14 -1.26 -4.44 119.74 118.80 1dby s LYS 84 Ca 0.00 -1.45 -0.11 0.00 -1.36 0.00 0.00 55.97 53.05 1dby s LYS 84 Cb 0.00 -2.61 0.00 0.00 -1.68 0.00 0.00 37.83 33.54 1dby s LYS 84 CO 0.00 -0.42 1.07 -1.59 -0.76 0.00 0.00 175.35 173.65 1dby s LYS 85 N -4.38 3.04 0.04 1.68 -2.85 -1.26 -2.52 119.74 113.48 1dby s LYS 85 Ca 0.54 0.66 0.00 0.00 -1.00 0.00 0.00 55.97 56.17 1dby s LYS 85 Cb -0.07 -2.02 0.00 0.00 -2.06 0.00 0.00 37.83 33.68 1dby s LYS 85 CO 0.33 -0.95 0.00 0.00 0.10 0.00 0.00 175.35 174.82 1dby n GLU 87 N -2.84 1.48 -3.83 0.00 4.71 -1.25 -5.00 120.64 113.92 1dby n GLU 87 Ca 0.00 0.00 -0.09 0.00 -0.01 0.00 0.00 57.16 57.06 1dby n GLU 87 Cb 0.00 0.00 -0.03 0.00 -1.01 0.00 0.00 31.44 30.40 1dby n GLU 87 CO 0.00 0.00 0.00 -0.08 0.09 0.00 0.00 177.13 177.14 1dby s THR 88 N -1.18 0.01 -0.03 2.62 -1.32 -1.26 -0.81 115.64 113.67 1dby s THR 88 Ca 0.00 -0.96 -0.01 0.00 -1.21 0.00 0.00 61.69 59.51 1dby s THR 88 Cb 0.00 -1.85 0.02 0.00 -1.51 0.00 0.00 72.50 69.16 1dby s THR 88 CO 0.00 -0.04 0.05 -0.63 -2.21 0.00 0.00 174.62 171.79 1dby s ILE 89 N -3.92 -0.04 0.29 5.08 1.01 0.88 -4.95 121.20 119.55 1dby s ILE 89 Ca 0.12 0.14 -0.28 0.00 0.00 0.00 0.00 60.65 60.63 1dby s ILE 89 Cb -0.03 -0.10 -0.09 0.00 0.01 0.00 0.00 42.46 42.25 1dby s ILE 89 CO 0.03 0.06 0.97 -0.63 0.00 0.00 0.00 174.94 175.37 1dby s ILE 90 N 0.75 4.01 0.00 2.92 1.01 -1.26 -0.19 121.20 128.44 1dby s ILE 90 Ca -0.06 1.86 0.00 0.00 0.00 0.00 0.00 60.65 62.45 1dby s ILE 90 Cb -0.09 -4.12 0.00 0.00 0.01 0.00 0.00 42.46 38.27 1dby s ILE 90 CO -0.03 0.32 0.00 0.61 0.00 0.00 0.00 174.94 175.84 1dby n GLY 91 N 1.03 -0.79 3.62 6.18 0.00 -0.33 -4.66 105.19 110.24 1dby n GLY 91 Ca 0.00 -1.51 -0.23 0.00 0.00 0.00 0.00 46.02 44.28 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 -2.25 -2.30 4.61 0.00 -1.26 -4.94 120.51 111.37 1dby n ALA 92 Ca 0.00 -0.14 -0.11 0.00 0.00 0.00 0.00 53.44 53.20 1dby n ALA 92 Cb 0.00 -3.25 -0.10 0.00 0.00 0.00 0.00 19.45 16.10 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 -3.57 0.60 0.38 0.00 1.01 -1.26 -5.14 120.40 112.42 1dby s VAL 93 Ca 0.22 -1.75 -0.26 0.00 0.00 0.00 0.00 61.98 60.19 1dby s VAL 93 Cb -0.06 -1.45 -0.09 0.00 0.00 0.00 0.00 36.38 34.79 1dby s VAL 93 CO 0.81 -0.80 1.17 -2.84 0.00 0.00 0.00 175.10 173.45 1dby s PRO 94 N -3.40 4.17 0.51 2.72 0.02 -1.26 -4.92 135.00 132.84 1dby s PRO 94 Ca 0.07 1.86 0.18 0.00 0.02 0.00 0.00 61.00 63.13 1dby s PRO 94 Cb 0.03 -2.78 1.30 0.00 0.02 0.00 0.00 34.50 33.07 1dby s PRO 94 CO -0.04 -0.22 2.13 1.57 -0.33 0.00 0.00 177.00 180.10 1dby h LYS 95 N 2.86 0.00 -0.32 5.54 2.10 -1.99 -2.00 116.57 122.76 1dby h LYS 95 Ca -0.48 0.00 0.06 0.00 -2.00 0.00 0.00 60.65 58.23 1dby h LYS 95 Cb 1.23 0.00 -0.08 0.00 -0.90 0.00 0.00 32.23 32.48 1dby h LYS 95 CO 0.63 0.05 -0.40 0.00 -2.00 0.00 0.00 179.45 177.73 1dby h ALA 96 N 1.95 -0.43 -0.54 0.07 0.00 -1.99 0.23 119.26 118.56 1dby h ALA 96 Ca -0.00 0.05 0.07 0.00 0.00 0.00 0.00 54.91 55.03 1dby h ALA 96 Cb 0.09 0.82 -0.06 0.00 0.00 0.00 0.00 17.79 18.64 1dby h ALA 96 CO 0.01 -0.86 0.21 1.15 0.00 0.00 0.00 179.25 179.76 1dby h THR 97 N -0.36 0.84 -0.24 0.00 2.02 -1.76 0.62 112.91 114.03 1dby h THR 97 Ca 0.12 -0.14 0.04 0.00 0.77 0.00 0.00 66.41 67.20 1dby h THR 97 Cb 0.59 0.40 -0.04 0.00 -1.74 0.00 0.00 68.15 67.36 1dby h THR 97 CO -0.51 0.07 0.02 0.40 0.37 0.00 0.00 175.52 175.87 1dby h ILE 98 N 0.40 0.85 -0.39 3.11 2.04 -0.99 0.98 117.51 123.51 1dby h ILE 98 Ca 0.26 -0.04 -0.01 0.00 1.00 0.00 0.00 64.86 66.07 1dby h ILE 98 Cb 0.27 0.74 -0.02 0.00 -0.74 0.00 0.00 36.82 37.07 1dby h ILE 98 CO -0.25 0.02 0.20 0.58 0.00 0.00 0.00 178.15 178.70 1dby h VAL 99 N 0.10 1.16 -0.74 1.67 2.07 0.23 0.12 116.25 120.87 1dby h VAL 99 Ca 0.11 -0.45 0.04 0.00 0.82 0.00 0.00 66.70 67.23 1dby h VAL 99 Cb 0.13 0.74 -0.05 0.00 -1.52 0.00 0.00 31.29 30.59 1dby h VAL 99 CO -0.17 0.17 0.46 1.56 0.02 0.00 0.00 177.57 179.61 1dby h GLN 100 N 0.50 0.85 -0.30 1.57 7.50 -0.46 0.15 115.11 124.93 1dby h GLN 100 Ca 0.14 -0.05 -0.00 0.00 0.50 0.00 0.00 58.65 59.23 1dby h GLN 100 Cb 0.09 -0.19 -0.01 0.00 0.05 0.00 0.00 27.48 27.42 1dby h GLN 100 CO -0.02 0.57 0.17 1.15 -1.50 0.00 0.00 178.83 179.20 1dby h THR 101 N 0.88 1.12 -0.30 -0.54 2.02 -0.26 0.73 112.91 116.56 1dby h THR 101 Ca 0.30 -0.30 0.05 0.00 0.77 0.00 0.00 66.41 67.23 1dby h THR 101 Cb 0.06 0.78 -0.04 0.00 -1.74 0.00 0.00 68.15 67.21 1dby h THR 101 CO -0.13 0.12 0.04 0.58 0.37 0.00 0.00 175.52 176.50 1dby h VAL 102 N 0.37 0.83 -0.33 3.16 2.07 0.11 -1.02 116.25 121.44 1dby h VAL 102 Ca 0.11 -0.05 0.05 0.00 0.82 0.00 0.00 66.70 67.63 1dby h VAL 102 Cb 0.04 0.68 -0.04 0.00 -1.52 0.00 0.00 31.29 30.45 1dby h VAL 102 CO -0.02 0.02 0.06 -0.33 0.02 0.00 0.00 177.57 177.33 1dby h GLU 103 N 0.14 0.17 -0.78 1.57 5.08 -0.33 0.24 114.58 120.68 1dby h GLU 103 Ca 0.14 -0.01 0.13 0.00 -1.00 0.00 0.00 59.36 58.62 1dby h GLU 103 Cb 0.17 -0.04 -0.09 0.00 0.50 0.00 0.00 28.75 29.29 1dby h GLU 103 CO -0.21 0.12 0.36 -0.22 -1.00 0.00 0.00 179.01 178.06 1dby h LYS 104 N 0.18 0.52 -0.29 2.33 1.63 -0.19 0.28 116.57 121.03 1dby h LYS 104 Ca 0.16 -0.03 -0.18 0.00 -0.85 0.00 0.00 60.65 59.75 1dby h LYS 104 Cb 0.17 -0.12 -0.00 0.00 -0.60 0.00 0.00 32.23 31.68 1dby h LYS 104 CO -0.21 0.34 -0.51 1.88 -3.45 0.00 0.00 179.45 177.51 1dby h TYR 105 N 0.54 1.04 0.00 1.91 0.05 -0.00 -3.41 116.97 117.09 1dby h TYR 105 Ca 0.42 -0.35 0.00 0.00 0.05 0.00 0.00 58.73 58.84 1dby h TYR 105 Cb 0.58 -0.20 0.00 0.00 1.01 0.00 0.00 36.73 38.12 1dby h TYR 105 CO -0.13 1.17 0.00 1.28 -1.05 0.00 0.00 178.16 179.43 1dby n LEU 106 N -4.01 0.88 0.00 3.88 4.77 0.73 -5.10 117.00 118.14 1dby n LEU 106 Ca -0.04 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.94 1dby n LEU 106 Cb 0.60 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.69 1dby n LEU 106 CO 0.49 0.00 0.00 -3.20 -1.33 0.00 0.00 177.39 173.35