#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cfe n ASN 2 N 0.00 -2.51 0.00 1.08 0.23 -1.26 -0.41 115.26 112.39 1cfe n ASN 2 Ca 0.00 0.60 0.00 0.00 -0.53 0.00 0.00 54.58 54.65 1cfe n ASN 2 Cb 0.00 2.47 0.00 0.00 -2.08 0.00 0.00 39.78 40.17 1cfe n ASN 2 CO 0.00 0.00 0.00 -1.20 -0.93 0.00 0.00 177.26 175.13 1cfe n SER 3 N -3.19 -0.82 -0.05 0.53 7.64 -1.26 -1.96 113.62 114.51 1cfe n SER 3 Ca 0.00 0.00 -0.03 0.00 1.01 0.00 0.00 58.87 59.85 1cfe n SER 3 Cb 0.00 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.19 1cfe n SER 3 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 1cfe n PRO 4 N 0.00 0.30 0.27 1.43 -0.04 -1.26 -4.59 135.00 131.12 1cfe n PRO 4 Ca 0.00 0.44 0.14 0.00 -0.04 0.00 0.00 63.50 64.04 1cfe n PRO 4 Cb 0.00 -1.39 0.74 0.00 -0.04 0.00 0.00 33.50 32.81 1cfe n PRO 4 CO 0.00 0.00 0.00 0.37 -0.04 0.00 0.00 175.50 175.83 1cfe h GLN 5 N -0.67 0.00 -0.38 0.54 5.75 -1.97 -0.04 115.11 118.33 1cfe h GLN 5 Ca 0.00 0.00 -0.06 0.00 -0.15 0.00 0.00 58.65 58.44 1cfe h GLN 5 Cb 0.34 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 28.88 1cfe h GLN 5 CO 0.00 0.10 -0.00 -0.44 -2.65 0.00 0.00 178.83 175.84 1cfe h ASP 6 N 0.00 0.66 0.66 -0.69 5.19 -1.83 0.10 116.42 120.51 1cfe h ASP 6 Ca -0.00 -0.31 -0.03 0.00 -0.62 0.00 0.00 57.03 56.07 1cfe h ASP 6 Cb 0.38 -0.18 0.01 0.00 0.18 0.00 0.00 39.33 39.72 1cfe h ASP 6 CO 0.01 0.81 -0.32 1.88 -3.12 0.00 0.00 179.24 178.50 1cfe h TYR 7 N 0.49 -0.82 -0.91 4.55 0.05 -0.71 -3.35 116.97 116.27 1cfe h TYR 7 Ca 0.11 -0.02 0.07 0.00 0.05 0.00 0.00 58.73 58.94 1cfe h TYR 7 Cb 0.47 0.27 -0.07 0.00 1.01 0.00 0.00 36.73 38.42 1cfe h TYR 7 CO 0.04 -0.47 0.57 -0.07 -1.05 0.00 0.00 178.16 177.17 1cfe h LEU 8 N -1.07 0.90 -0.36 3.88 3.38 -0.93 -2.49 115.31 118.62 1cfe h LEU 8 Ca -0.09 0.02 0.08 0.00 0.09 0.00 0.00 57.88 57.97 1cfe h LEU 8 Cb 0.72 -0.17 -0.09 0.00 0.09 0.00 0.00 40.66 41.21 1cfe h LEU 8 CO 0.15 0.56 -0.28 0.00 0.09 0.00 0.00 178.44 178.96 1cfe h ALA 9 N 1.43 -0.11 -0.52 1.53 0.00 -0.91 0.23 119.26 120.91 1cfe h ALA 9 Ca 0.40 0.10 -0.09 0.00 0.00 0.00 0.00 54.91 55.33 1cfe h ALA 9 Cb 0.20 0.61 -0.02 0.00 0.00 0.00 0.00 17.79 18.57 1cfe h ALA 9 CO -0.18 -0.68 -0.04 0.28 0.00 0.00 0.00 179.25 178.63 1cfe h VAL 10 N -0.23 1.26 -0.32 0.00 2.07 -1.58 0.11 116.25 117.56 1cfe h VAL 10 Ca 0.17 -1.12 -0.00 0.00 0.82 0.00 0.00 66.70 66.56 1cfe h VAL 10 Cb 0.50 0.90 -0.02 0.00 -1.52 0.00 0.00 31.29 31.15 1cfe h VAL 10 CO -0.49 0.40 0.19 0.45 0.02 0.00 0.00 177.57 178.14 1cfe h HIS 11 N 0.83 0.43 -0.62 1.57 -0.00 -1.14 -0.72 115.15 115.49 1cfe h HIS 11 Ca 0.15 -0.00 0.05 0.00 -0.00 0.00 0.00 60.37 60.56 1cfe h HIS 11 Cb 0.54 -0.14 -0.05 0.00 -0.00 0.00 0.00 27.41 27.77 1cfe h HIS 11 CO 0.03 0.32 0.35 -0.91 -0.00 0.00 0.00 177.93 177.72 1cfe h ASN 12 N 0.41 0.54 0.00 2.45 2.35 0.04 0.36 115.58 121.73 1cfe h ASN 12 Ca 0.11 0.02 0.00 0.00 -0.55 0.00 0.00 56.30 55.88 1cfe h ASN 12 Cb 0.02 -0.09 0.00 0.00 0.05 0.00 0.00 38.32 38.30 1cfe h ASN 12 CO -0.02 0.36 0.00 -0.67 -1.65 0.00 0.00 177.43 175.45 1cfe n ASP 13 N -4.79 0.00 -0.19 5.81 -0.08 0.34 -0.40 116.55 117.23 1cfe n ASP 13 Ca 0.07 0.87 0.00 0.00 -1.51 0.00 0.00 54.79 54.22 1cfe n ASP 13 Cb 0.13 -0.37 0.10 0.00 2.34 0.00 0.00 41.12 43.32 1cfe n ASP 13 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1cfe h ALA 14 N -1.50 0.64 -0.51 -1.67 0.00 -0.61 0.23 119.26 115.83 1cfe h ALA 14 Ca 0.00 0.16 -0.00 0.00 0.00 0.00 0.00 54.91 55.07 1cfe h ALA 14 Cb 0.00 0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 1cfe h ALA 14 CO 0.00 -0.36 0.32 0.00 0.00 0.00 0.00 179.25 179.21 1cfe h ARG 15 N 0.18 0.69 -0.37 0.00 3.08 -0.96 -2.06 114.38 114.93 1cfe h ARG 15 Ca 0.31 -0.06 0.07 0.00 0.07 0.00 0.00 59.98 60.37 1cfe h ARG 15 Cb 0.48 -0.15 -0.06 0.00 0.08 0.00 0.00 29.97 30.32 1cfe h ARG 15 CO -0.46 0.49 -0.03 0.00 -1.07 0.00 0.00 179.97 178.91 1cfe h ALA 16 N 1.16 0.32 -0.41 0.04 0.00 0.21 0.24 119.26 120.82 1cfe h ALA 16 Ca 0.19 0.12 0.09 0.00 0.00 0.00 0.00 54.91 55.30 1cfe h ALA 16 Cb -0.03 0.21 -0.09 0.00 0.00 0.00 0.00 17.79 17.88 1cfe h ALA 16 CO -0.04 -0.41 -0.21 1.96 0.00 0.00 0.00 179.25 180.55 1cfe h GLN 17 N 0.07 -0.13 -0.45 0.00 1.08 0.01 -0.66 115.11 115.04 1cfe h GLN 17 Ca 0.18 0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.39 1cfe h GLN 17 Cb 0.26 0.03 0.00 0.00 -0.05 0.00 0.00 27.48 27.72 1cfe h GLN 17 CO -0.33 -0.08 0.00 1.33 -0.95 0.00 0.00 178.83 178.80 1cfe n VAL 18 N -5.38 0.59 -2.85 -0.54 0.24 -1.02 -4.95 118.33 104.43 1cfe n VAL 18 Ca 0.02 -0.66 -0.18 0.00 -2.04 0.00 0.00 64.34 61.48 1cfe n VAL 18 Cb 0.29 0.46 0.03 0.00 -1.47 0.00 0.00 33.84 33.15 1cfe n VAL 18 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1cfe n GLY 19 N 1.34 -0.30 3.89 7.63 0.00 0.54 -5.01 105.19 113.27 1cfe n GLY 19 Ca 0.18 -0.05 -0.31 0.00 0.00 0.00 0.00 46.02 45.84 1cfe n GLY 19 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1cfe s VAL 20 N -3.05 4.99 0.80 1.61 1.01 0.45 -4.99 120.40 121.22 1cfe s VAL 20 Ca 0.23 0.28 -0.11 0.00 0.00 0.00 0.00 61.98 62.39 1cfe s VAL 20 Cb -0.10 -3.66 0.07 0.00 0.00 0.00 0.00 36.38 32.69 1cfe s VAL 20 CO 0.29 -0.15 1.10 -0.83 0.00 0.00 0.00 175.10 175.51 1cfe s GLY 21 N -2.65 1.69 0.00 4.51 0.00 -1.26 -4.05 107.32 105.56 1cfe s GLY 21 Ca 0.45 0.34 0.00 0.00 0.00 0.00 0.00 44.72 45.52 1cfe s GLY 21 CO 0.25 0.70 0.00 -1.55 0.00 0.00 0.00 173.10 172.50 1cfe n PRO 22 N -3.65 -0.21 -1.86 2.90 -0.04 -1.26 -4.90 135.00 125.99 1cfe n PRO 22 Ca 0.10 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.56 1cfe n PRO 22 Cb 0.53 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.99 1cfe n PRO 22 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1cfe n MET 23 N -1.09 1.02 -3.45 0.54 0.00 -1.26 -4.72 117.12 108.16 1cfe n MET 23 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 57.70 57.54 1cfe n MET 23 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 33.22 33.18 1cfe n MET 23 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 175.97 174.84 1cfe n SER 24 N -1.90 1.86 -4.41 3.17 3.41 -1.05 -4.99 113.62 109.70 1cfe n SER 24 Ca 0.00 -2.26 -0.44 0.00 -0.26 0.00 0.00 58.87 55.91 1cfe n SER 24 Cb 0.00 0.42 -0.07 0.00 -0.26 0.00 0.00 64.21 64.30 1cfe n SER 24 CO 0.00 0.00 0.00 0.86 -0.16 0.00 0.00 175.04 175.74 1cfe s TRP 25 N -2.26 3.18 -0.62 7.33 -0.11 -1.26 -2.96 118.94 122.24 1cfe s TRP 25 Ca 0.07 -0.77 -0.25 0.00 1.22 0.00 0.00 56.10 56.37 1cfe s TRP 25 Cb 0.00 -3.26 0.04 0.00 -1.50 0.00 0.00 33.47 28.75 1cfe s TRP 25 CO 0.05 -0.86 1.08 0.16 -4.62 0.00 0.00 176.95 172.75 1cfe s ASP 26 N 2.57 6.29 0.44 5.86 -4.77 -0.27 -4.89 116.67 121.90 1cfe s ASP 26 Ca 0.08 -0.40 0.13 0.00 -3.30 0.00 0.00 52.55 49.06 1cfe s ASP 26 Cb -0.22 -2.49 0.96 0.00 -1.09 0.00 0.00 42.92 40.08 1cfe s ASP 26 CO 0.09 -1.46 1.98 0.00 0.70 0.00 0.00 175.17 176.47 1cfe h ALA 27 N 9.57 1.67 0.25 2.11 0.00 -1.96 0.27 119.26 131.17 1cfe h ALA 27 Ca -0.27 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.46 1cfe h ALA 27 Cb 1.06 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.82 1cfe h ALA 27 CO 1.17 0.25 -0.12 -0.91 0.00 0.00 0.00 179.25 179.64 1cfe h ASN 28 N 0.05 -0.29 -0.39 0.00 2.35 -1.97 0.10 115.58 115.43 1cfe h ASN 28 Ca 0.01 -0.13 -0.03 0.00 -0.55 0.00 0.00 56.30 55.60 1cfe h ASN 28 Cb 0.33 0.07 -0.02 0.00 0.05 0.00 0.00 38.32 38.75 1cfe h ASN 28 CO 0.02 -0.04 0.14 -0.07 -1.65 0.00 0.00 177.43 175.83 1cfe h LEU 29 N -0.54 0.61 -0.27 1.61 3.38 -1.71 0.12 115.31 118.51 1cfe h LEU 29 Ca -0.03 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.85 1cfe h LEU 29 Cb 0.40 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 1cfe h LEU 29 CO 0.06 0.59 0.18 0.00 0.09 0.00 0.00 178.44 179.36 1cfe h ALA 30 N 1.50 0.35 -0.60 1.53 0.00 -0.88 0.97 119.26 122.12 1cfe h ALA 30 Ca 0.15 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 55.07 1cfe h ALA 30 Cb 0.20 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.84 1cfe h ALA 30 CO -0.01 -0.18 0.36 0.66 0.00 0.00 0.00 179.25 180.08 1cfe h SER 31 N 0.37 0.59 0.16 0.00 4.64 0.56 0.16 113.55 120.03 1cfe h SER 31 Ca 0.10 0.00 0.02 0.00 -0.47 0.00 0.00 61.79 61.44 1cfe h SER 31 Cb -0.04 -0.12 -0.04 0.00 -0.31 0.00 0.00 62.40 61.88 1cfe h SER 31 CO -0.02 0.41 -0.38 -0.09 -0.87 0.00 0.00 176.83 175.88 1cfe h ARG 32 N 0.72 -0.62 -0.27 4.77 9.65 -0.51 0.43 114.38 128.55 1cfe h ARG 32 Ca 0.24 0.04 0.03 0.00 -1.10 0.00 0.00 59.98 59.19 1cfe h ARG 32 Cb 0.03 0.14 -0.03 0.00 -1.39 0.00 0.00 29.97 28.72 1cfe h ARG 32 CO -0.10 -0.41 0.09 0.00 2.80 0.00 0.00 179.97 182.34 1cfe h ALA 33 N -0.12 0.30 -0.08 2.80 0.00 -0.23 0.17 119.26 122.10 1cfe h ALA 33 Ca 0.02 0.03 0.03 0.00 0.00 0.00 0.00 54.91 54.99 1cfe h ALA 33 Cb 0.65 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.44 1cfe h ALA 33 CO -0.20 -0.32 -0.09 0.37 0.00 0.00 0.00 179.25 179.01 1cfe h GLN 34 N 0.21 -0.12 -0.09 0.00 5.75 -0.91 -0.40 115.11 119.54 1cfe h GLN 34 Ca 0.12 0.01 0.00 0.00 -0.15 0.00 0.00 58.65 58.63 1cfe h GLN 34 Cb 0.10 0.03 -0.01 0.00 1.07 0.00 0.00 27.48 28.67 1cfe h GLN 34 CO -0.13 -0.08 0.06 -0.91 -2.65 0.00 0.00 178.83 175.12 1cfe h ASN 35 N -0.12 0.09 -0.03 -0.69 4.21 -0.14 0.16 115.58 119.07 1cfe h ASN 35 Ca 0.06 -0.00 0.01 0.00 1.21 0.00 0.00 56.30 57.58 1cfe h ASN 35 Cb 0.21 -0.02 -0.01 0.00 -1.12 0.00 0.00 38.32 37.38 1cfe h ASN 35 CO -0.15 0.07 -0.04 0.22 -1.29 0.00 0.00 177.43 176.24 1cfe h TYR 36 N 0.12 -0.09 -0.60 1.19 3.20 -0.60 0.12 116.97 120.31 1cfe h TYR 36 Ca 0.03 0.00 0.06 0.00 3.14 0.00 0.00 58.73 61.97 1cfe h TYR 36 Cb -0.01 0.04 -0.06 0.00 1.54 0.00 0.00 36.73 38.25 1cfe h TYR 36 CO -0.08 -0.06 0.29 0.00 -1.64 0.00 0.00 178.16 176.68 1cfe h ALA 37 N 0.97 0.78 -0.12 1.82 0.00 -0.84 -1.98 119.26 119.89 1cfe h ALA 37 Ca 0.03 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 1cfe h ALA 37 Cb 0.09 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1cfe h ALA 37 CO -0.06 -0.07 0.05 -0.91 0.00 0.00 0.00 179.25 178.26 1cfe h ASN 38 N 0.55 0.17 -0.34 0.00 4.21 -0.20 -3.05 115.58 116.91 1cfe h ASN 38 Ca 0.28 -0.17 0.01 0.00 1.21 0.00 0.00 56.30 57.63 1cfe h ASN 38 Cb 0.22 -0.04 -0.02 0.00 -1.12 0.00 0.00 38.32 37.36 1cfe h ASN 38 CO -0.21 0.29 0.20 0.77 -1.29 0.00 0.00 177.43 177.20 1cfe h SER 39 N 0.04 0.33 -0.33 5.81 4.64 -0.56 -3.23 113.55 120.26 1cfe h SER 39 Ca 0.04 0.00 -0.63 0.00 -0.47 0.00 0.00 61.79 60.73 1cfe h SER 39 Cb 0.17 -0.07 -0.03 0.00 -0.31 0.00 0.00 62.40 62.16 1cfe h SER 39 CO -0.00 0.24 2.38 0.54 -0.87 0.00 0.00 176.83 179.12 1cfe n ARG 40 N -4.89 2.50 -3.50 4.77 1.74 -0.76 -4.74 116.66 111.77 1cfe n ARG 40 Ca -0.00 -2.64 -0.28 0.00 -0.77 0.00 0.00 57.85 54.17 1cfe n ARG 40 Cb 0.05 -3.35 -0.09 0.00 -1.02 0.00 0.00 32.46 28.06 1cfe n ARG 40 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1cfe n ALA 41 N 8.33 3.98 0.00 7.54 0.00 -1.22 -3.91 120.51 135.23 1cfe n ALA 41 Ca 0.50 -4.73 0.00 0.00 0.00 0.00 0.00 53.44 49.20 1cfe n ALA 41 Cb 0.43 -0.97 0.00 0.00 0.00 0.00 0.00 19.45 18.91 1cfe n ALA 41 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1cfe n GLY 42 N 1.08 1.98 1.38 0.00 0.00 -1.26 -4.60 105.19 103.76 1cfe n GLY 42 Ca 0.28 -0.16 -0.10 0.00 0.00 0.00 0.00 46.02 46.04 1cfe n GLY 42 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1cfe n ASP 43 N 0.00 3.36 -0.03 1.61 5.75 -1.26 -4.74 116.55 121.23 1cfe n ASP 43 Ca 0.00 -3.81 -0.15 0.00 -0.01 0.00 0.00 54.79 50.82 1cfe n ASP 43 Cb 0.00 -0.58 -0.10 0.00 -1.03 0.00 0.00 41.12 39.41 1cfe n ASP 43 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1cfe n ASN 45 N -4.48 0.00 -3.45 0.00 3.02 -1.26 -3.82 115.26 105.27 1cfe n ASN 45 Ca -0.09 0.00 -0.19 0.00 -0.03 0.00 0.00 54.58 54.27 1cfe n ASN 45 Cb 0.48 0.00 -0.11 0.00 -0.61 0.00 0.00 39.78 39.53 1cfe n ASN 45 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1cfe s LEU 46 N 0.00 -0.07 -0.10 3.41 1.43 -1.26 -5.00 118.68 117.08 1cfe s LEU 46 Ca 0.00 -0.70 0.02 0.00 -1.03 0.00 0.00 54.13 52.42 1cfe s LEU 46 Cb 0.00 0.33 0.02 0.00 0.03 0.00 0.00 46.19 46.57 1cfe s LEU 46 CO 0.00 -0.38 -0.14 -0.63 0.23 0.00 0.00 176.35 175.43 1cfe s ILE 47 N 2.31 1.43 0.10 -0.59 1.09 -1.25 -5.11 121.20 119.18 1cfe s ILE 47 Ca 0.09 -0.60 -0.31 0.00 -1.10 0.00 0.00 60.65 58.73 1cfe s ILE 47 Cb -0.15 -1.31 -0.08 0.00 -1.06 0.00 0.00 42.46 39.87 1cfe s ILE 47 CO -0.28 0.43 1.38 -2.28 -0.10 0.00 0.00 174.94 174.08 1cfe s HIS 48 N 1.00 3.22 0.01 3.97 2.46 -1.26 -4.98 115.29 119.71 1cfe s HIS 48 Ca -0.07 0.96 -0.04 0.00 0.47 0.00 0.00 55.06 56.39 1cfe s HIS 48 Cb -0.15 -3.66 -0.02 0.00 -0.13 0.00 0.00 32.58 28.62 1cfe s HIS 48 CO -0.01 -2.32 1.06 0.66 -2.47 0.00 0.00 174.74 171.66 1cfe h SER 49 N 6.89 -0.12 0.00 9.88 4.64 -1.99 -3.49 113.55 129.36 1cfe h SER 49 Ca -0.42 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.91 1cfe h SER 49 Cb 1.21 0.03 0.00 0.00 -0.31 0.00 0.00 62.40 63.33 1cfe h SER 49 CO 0.86 -0.08 0.00 0.61 -0.87 0.00 0.00 176.83 177.35 1cfe n GLY 50 N -1.07 3.86 3.71 -0.77 0.00 -1.26 -5.15 105.19 104.51 1cfe n GLY 50 Ca -0.02 -0.54 -0.25 0.00 0.00 0.00 0.00 46.02 45.21 1cfe n GLY 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1cfe s ALA 51 N -2.00 3.31 0.00 4.61 0.00 -1.26 -4.68 121.76 121.74 1cfe s ALA 51 Ca 0.00 -1.41 0.00 0.00 0.00 0.00 0.00 51.96 50.55 1cfe s ALA 51 Cb 0.00 -1.05 0.00 0.00 0.00 0.00 0.00 23.12 22.07 1cfe s ALA 51 CO 0.00 0.40 0.00 0.41 0.00 0.00 0.00 175.76 176.57 1cfe n GLY 52 N -0.50 2.99 3.78 0.00 0.00 -0.74 -4.59 105.19 106.12 1cfe n GLY 52 Ca -0.08 -0.81 -0.39 0.00 0.00 0.00 0.00 46.02 44.74 1cfe n GLY 52 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1cfe s GLU 53 N 0.00 4.56 0.06 1.61 8.01 -1.26 -4.12 118.70 127.57 1cfe s GLU 53 Ca 0.00 1.18 0.04 0.00 0.01 0.00 0.00 54.97 56.20 1cfe s GLU 53 Cb 0.00 -3.16 -0.04 0.00 -4.31 0.00 0.00 34.13 26.63 1cfe s GLU 53 CO 0.00 0.51 -0.02 1.21 0.01 0.00 0.00 175.26 176.96 1cfe s ASN 54 N -1.28 4.89 0.10 -0.19 3.84 -0.28 -4.97 114.94 117.05 1cfe s ASN 54 Ca 0.39 -0.17 0.07 0.00 0.21 0.00 0.00 52.86 53.36 1cfe s ASN 54 Cb -0.22 -1.15 -0.03 0.00 -0.55 0.00 0.00 41.25 39.29 1cfe s ASN 54 CO 0.26 0.21 -0.17 -0.76 -2.79 0.00 0.00 177.10 173.85 1cfe s LEU 55 N -2.04 2.33 -0.07 3.21 1.43 -1.26 -0.23 118.68 122.05 1cfe s LEU 55 Ca 0.23 -0.71 -0.09 0.00 -1.03 0.00 0.00 54.13 52.53 1cfe s LEU 55 Cb -0.11 -0.71 0.02 0.00 0.03 0.00 0.00 46.19 45.42 1cfe s LEU 55 CO 0.15 -0.03 0.24 0.00 0.23 0.00 0.00 176.35 176.93 1cfe s ALA 56 N -1.48 -0.59 0.17 4.21 0.00 0.66 -5.00 121.76 119.74 1cfe s ALA 56 Ca 0.05 0.53 0.03 0.00 0.00 0.00 0.00 51.96 52.57 1cfe s ALA 56 Cb -0.09 -0.27 -0.05 0.00 0.00 0.00 0.00 23.12 22.71 1cfe s ALA 56 CO 0.04 -0.15 -0.03 -1.59 0.00 0.00 0.00 175.76 174.03 1cfe s LYS 57 N -0.25 1.13 0.00 0.00 -2.85 -1.26 -0.67 119.74 115.83 1cfe s LYS 57 Ca -0.04 -1.53 0.00 0.00 -1.00 0.00 0.00 55.97 53.40 1cfe s LYS 57 Cb -0.03 -0.43 0.00 0.00 -2.06 0.00 0.00 37.83 35.31 1cfe s LYS 57 CO 0.01 -0.06 0.00 0.41 0.10 0.00 0.00 175.35 175.81 1cfe n GLY 58 N -0.26 2.00 0.00 0.59 0.00 -1.22 -4.96 105.19 101.33 1cfe n GLY 58 Ca -0.08 -0.67 0.00 0.00 0.00 0.00 0.00 46.02 45.28 1cfe n GLY 58 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1cfe n GLY 59 N -0.50 0.53 7.00 -0.02 0.00 -1.26 -0.75 105.19 110.19 1cfe n GLY 59 Ca 0.00 -1.91 0.00 0.00 0.00 0.00 0.00 46.02 44.11 1cfe n GLY 59 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1cfe n GLY 60 N 5.00 2.40 2.37 -0.02 0.00 -1.26 -3.39 105.19 110.29 1cfe n GLY 60 Ca 0.00 -0.48 -0.34 0.00 0.00 0.00 0.00 46.02 45.20 1cfe n GLY 60 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1cfe n ASP 61 N 1.24 7.11 -4.66 1.61 5.75 -1.26 -4.81 116.55 121.53 1cfe n ASP 61 Ca 0.00 -3.79 -0.44 0.00 -0.01 0.00 0.00 54.79 50.55 1cfe n ASP 61 Cb 0.00 -0.87 -0.02 0.00 -1.03 0.00 0.00 41.12 39.21 1cfe n ASP 61 CO 0.00 0.00 0.00 0.33 -0.11 0.00 0.00 177.20 177.42 1cfe n PHE 62 N -0.81 1.98 -4.17 2.11 7.35 -1.22 -4.97 117.46 117.74 1cfe n PHE 62 Ca 0.58 0.55 -0.25 0.00 -0.76 0.00 0.00 57.45 57.56 1cfe n PHE 62 Cb 0.65 -2.39 -0.06 0.00 0.35 0.00 0.00 39.48 38.02 1cfe n PHE 62 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1cfe s THR 63 N -0.65 4.06 0.22 -2.13 -4.23 -1.26 -4.96 115.64 106.68 1cfe s THR 63 Ca 0.62 -1.41 -0.05 0.00 -1.18 0.00 0.00 61.69 59.67 1cfe s THR 63 Cb -0.64 -3.11 0.09 0.00 1.34 0.00 0.00 72.50 70.18 1cfe s THR 63 CO 0.57 -0.21 1.71 1.23 -0.54 0.00 0.00 174.62 177.37 1cfe h GLY 64 N 2.20 1.01 0.72 3.99 0.00 -1.07 0.03 103.07 109.95 1cfe h GLY 64 Ca -0.47 -0.70 0.01 0.00 0.00 0.00 0.00 47.33 46.17 1cfe h GLY 64 CO 0.60 0.65 -0.15 -0.09 0.00 0.00 0.00 176.54 177.55 1cfe h ARG 65 N 0.87 -0.29 -0.96 4.80 2.43 -1.77 -0.32 114.38 119.14 1cfe h ARG 65 Ca 0.16 0.02 0.10 0.00 -0.81 0.00 0.00 59.98 59.45 1cfe h ARG 65 Cb 0.50 0.07 -0.07 0.00 -0.42 0.00 0.00 29.97 30.04 1cfe h ARG 65 CO 0.02 -0.19 0.61 0.00 -1.51 0.00 0.00 179.97 178.90 1cfe h ALA 66 N 0.57 1.55 0.08 2.80 0.00 -1.81 -0.26 119.26 122.19 1cfe h ALA 66 Ca 0.03 0.00 0.02 0.00 0.00 0.00 0.00 54.91 54.95 1cfe h ALA 66 Cb 0.32 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 1cfe h ALA 66 CO -0.09 0.24 -0.20 0.00 0.00 0.00 0.00 179.25 179.21 1cfe h ALA 67 N 1.53 -0.31 -0.48 0.00 0.00 -0.04 0.49 119.26 120.46 1cfe h ALA 67 Ca 0.45 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 55.36 1cfe h ALA 67 Cb 0.40 0.32 -0.03 0.00 0.00 0.00 0.00 17.79 18.47 1cfe h ALA 67 CO -0.21 -0.72 0.27 0.28 0.00 0.00 0.00 179.25 178.88 1cfe h VAL 68 N -0.36 1.02 -0.24 0.00 2.07 -0.18 -0.83 116.25 117.73 1cfe h VAL 68 Ca 0.03 -0.19 0.04 0.00 0.82 0.00 0.00 66.70 67.41 1cfe h VAL 68 Cb 0.39 0.44 -0.01 0.00 -1.52 0.00 0.00 31.29 30.59 1cfe h VAL 68 CO -0.12 0.10 0.16 1.56 0.02 0.00 0.00 177.57 179.29 1cfe h GLN 69 N 0.54 0.12 -0.05 1.57 4.20 -0.66 0.55 115.11 121.39 1cfe h GLN 69 Ca 0.20 -0.01 -0.11 0.00 0.06 0.00 0.00 58.65 58.79 1cfe h GLN 69 Cb 0.04 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 27.78 1cfe h GLN 69 CO -0.10 0.08 -0.46 1.25 -0.67 0.00 0.00 178.83 178.92 1cfe h LEU 70 N 0.12 0.12 0.02 1.46 5.85 0.14 0.23 115.31 123.25 1cfe h LEU 70 Ca 0.10 -0.05 -0.12 0.00 0.84 0.00 0.00 57.88 58.66 1cfe h LEU 70 Cb 0.27 -0.03 0.01 0.00 0.37 0.00 0.00 40.66 41.27 1cfe h LEU 70 CO -0.01 0.57 -0.47 -0.50 -0.34 0.00 0.00 178.44 177.68 1cfe h TRP 71 N 0.09 0.43 0.00 1.25 6.55 -0.79 -3.30 115.95 120.19 1cfe h TRP 71 Ca 0.00 -0.25 0.00 0.00 0.95 0.00 0.00 58.89 59.59 1cfe h TRP 71 Cb 0.86 -0.04 0.00 0.00 -0.86 0.00 0.00 29.16 29.12 1cfe h TRP 71 CO 0.01 1.09 0.00 0.28 -1.05 0.00 0.00 178.44 178.77 1cfe h VAL 72 N -0.35 0.00 0.00 1.49 2.07 -0.64 -2.29 116.25 116.53 1cfe h VAL 72 Ca -0.07 -0.43 0.00 0.00 0.82 0.00 0.00 66.70 67.02 1cfe h VAL 72 Cb 1.23 1.32 0.00 0.00 -1.52 0.00 0.00 31.29 32.32 1cfe h VAL 72 CO 0.09 0.00 0.00 -1.54 0.02 0.00 0.00 177.57 176.14 1cfe n SER 73 N -2.63 0.18 -0.29 0.57 3.41 0.77 -1.89 113.62 113.75 1cfe n SER 73 Ca 0.02 0.57 0.00 0.00 -0.26 0.00 0.00 58.87 59.20 1cfe n SER 73 Cb 0.31 -0.60 0.00 0.00 -0.26 0.00 0.00 64.21 63.66 1cfe n SER 73 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1cfe n GLU 74 N -1.73 0.38 -0.25 4.33 1.02 -0.86 -4.23 120.64 119.30 1cfe n GLU 74 Ca 0.01 0.00 0.06 0.00 -0.02 0.00 0.00 57.16 57.21 1cfe n GLU 74 Cb 0.07 -1.11 0.19 0.00 -0.02 0.00 0.00 31.44 30.57 1cfe n GLU 74 CO 0.00 0.00 0.00 -0.09 1.18 0.00 0.00 177.13 178.22 1cfe h ARG 75 N 0.36 0.29 -0.99 3.49 2.43 -1.65 0.11 114.38 118.42 1cfe h ARG 75 Ca 0.00 -0.02 -0.04 0.00 -0.81 0.00 0.00 59.98 59.11 1cfe h ARG 75 Cb 0.11 -0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 29.57 1cfe h ARG 75 CO 0.00 0.19 0.05 -0.35 -1.51 0.00 0.00 179.97 178.36 1cfe n PRO 76 N -5.13 1.22 0.00 0.20 -0.04 -1.26 -3.12 135.00 126.88 1cfe n PRO 76 Ca 0.14 -0.34 0.00 0.00 -0.04 0.00 0.00 63.50 63.26 1cfe n PRO 76 Cb 0.46 -1.25 0.00 0.00 -0.04 0.00 0.00 33.50 32.66 1cfe n PRO 76 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1cfe n SER 77 N 0.25 0.97 -4.79 3.54 3.41 0.20 -4.94 113.62 112.26 1cfe n SER 77 Ca 0.06 0.00 -0.37 0.00 -0.26 0.00 0.00 58.87 58.30 1cfe n SER 77 Cb 0.56 0.15 -0.06 0.00 -0.26 0.00 0.00 64.21 64.60 1cfe n SER 77 CO 0.00 0.00 0.00 -0.72 -0.16 0.00 0.00 175.04 174.16 1cfe s TYR 78 N -0.73 3.74 0.29 7.33 -0.85 -0.24 -0.22 117.35 126.68 1cfe s TYR 78 Ca 0.00 1.58 0.02 0.00 -0.52 0.00 0.00 57.07 58.15 1cfe s TYR 78 Cb 0.00 -2.75 -0.05 0.00 0.38 0.00 0.00 41.96 39.54 1cfe s TYR 78 CO 0.00 0.35 0.11 1.21 -1.52 0.00 0.00 175.55 175.70 1cfe s ASN 79 N -1.50 1.52 -0.08 -0.18 2.47 -1.21 -4.56 114.94 111.41 1cfe s ASN 79 Ca 0.43 -1.45 0.03 0.00 0.42 0.00 0.00 52.86 52.28 1cfe s ASN 79 Cb -0.19 0.22 0.01 0.00 -1.45 0.00 0.00 41.25 39.84 1cfe s ASN 79 CO 0.23 -0.78 -0.15 -0.47 -3.72 0.00 0.00 177.10 172.22 1cfe s TYR 80 N -3.63 1.75 0.00 0.43 5.04 -1.26 -4.50 117.35 115.18 1cfe s TYR 80 Ca 0.36 -0.69 0.00 0.00 -2.44 0.00 0.00 57.07 54.30 1cfe s TYR 80 Cb 0.07 -1.25 0.00 0.00 0.35 0.00 0.00 41.96 41.13 1cfe s TYR 80 CO 0.15 -0.33 0.00 0.00 -1.34 0.00 0.00 175.55 174.03 1cfe n ALA 81 N 3.80 0.00 -1.06 3.97 0.00 -1.26 -4.96 120.51 121.00 1cfe n ALA 81 Ca -0.22 0.00 -0.25 0.00 0.00 0.00 0.00 53.44 52.97 1cfe n ALA 81 Cb 0.52 0.00 0.11 0.00 0.00 0.00 0.00 19.45 20.07 1cfe n ALA 81 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1cfe n THR 82 N 0.00 3.16 -2.90 0.00 -2.24 -1.26 -4.84 114.28 106.20 1cfe n THR 82 Ca 0.00 -2.14 -0.09 0.00 -2.27 0.00 0.00 64.05 59.55 1cfe n THR 82 Cb 0.00 -0.92 0.01 0.00 -2.10 0.00 0.00 70.33 67.32 1cfe n THR 82 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1cfe n ASN 83 N -0.70 -7.82 -3.75 3.42 2.85 -1.26 -5.06 115.26 102.93 1cfe n ASN 83 Ca 0.52 0.46 -0.09 0.00 -0.11 0.00 0.00 54.58 55.36 1cfe n ASN 83 Cb 1.02 -5.20 -0.03 0.00 1.24 0.00 0.00 39.78 36.81 1cfe n ASN 83 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1cfe s GLN 84 N -2.64 1.76 0.58 1.20 -2.07 -1.26 -5.00 119.66 112.22 1cfe s GLN 84 Ca 0.24 -1.21 -0.03 0.00 -1.82 0.00 0.00 55.36 52.54 1cfe s GLN 84 Cb -0.06 0.54 0.03 0.00 -1.09 0.00 0.00 33.01 32.43 1cfe s GLN 84 CO 0.77 -0.78 0.85 0.00 -1.32 0.00 0.00 175.29 174.82 1cfe s VAL 86 N -2.90 2.42 -0.06 0.00 1.01 0.70 -4.69 120.40 116.87 1cfe s VAL 86 Ca 0.55 0.41 -0.29 0.00 0.00 0.00 0.00 61.98 62.65 1cfe s VAL 86 Cb -0.10 -3.26 -0.07 0.00 0.00 0.00 0.00 36.38 32.94 1cfe s VAL 86 CO 0.42 0.09 1.98 -0.83 0.00 0.00 0.00 175.10 176.76 1cfe s GLY 87 N -0.21 1.18 0.00 4.51 0.00 -1.26 -1.60 107.32 109.94 1cfe s GLY 87 Ca 0.52 1.06 0.00 0.00 0.00 0.00 0.00 44.72 46.30 1cfe s GLY 87 CO 0.56 3.48 0.00 0.61 0.00 0.00 0.00 173.10 177.75 1cfe n GLY 88 N 4.85 0.72 4.02 0.20 0.00 -1.26 -5.04 105.19 108.69 1cfe n GLY 88 Ca 0.22 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.03 1cfe n GLY 88 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1cfe s LYS 89 N -0.14 1.94 -0.03 1.61 3.01 -0.63 -5.12 119.74 120.38 1cfe s LYS 89 Ca 0.00 -1.50 0.03 0.00 -1.01 0.00 0.00 55.97 53.50 1cfe s LYS 89 Cb 0.00 -2.50 -0.00 0.00 -1.01 0.00 0.00 37.83 34.32 1cfe s LYS 89 CO 0.00 -1.20 -0.13 0.21 0.51 0.00 0.00 175.35 174.74 1cfe s LYS 90 N -4.91 1.28 0.00 1.68 2.20 -1.26 -4.87 119.74 113.86 1cfe s LYS 90 Ca 0.65 -0.45 0.00 0.00 -0.36 0.00 0.00 55.97 55.81 1cfe s LYS 90 Cb -0.05 -1.17 0.00 0.00 -1.51 0.00 0.00 37.83 35.11 1cfe s LYS 90 CO 0.42 0.19 0.00 0.00 -0.36 0.00 0.00 175.35 175.60 1cfe n ARG 92 N 0.00 -0.80 0.00 0.00 3.00 -1.26 -4.76 116.66 112.84 1cfe n ARG 92 Ca 0.00 0.29 0.00 0.00 -0.00 0.00 0.00 57.85 58.14 1cfe n ARG 92 Cb 0.00 -3.95 0.00 0.00 0.00 0.00 0.00 32.46 28.51 1cfe n ARG 92 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.63 178.35 1cfe n HIS 93 N -2.61 0.00 -0.34 -0.14 8.25 -1.26 -4.77 115.22 114.35 1cfe n HIS 93 Ca -0.01 0.00 0.12 0.00 -0.26 0.00 0.00 57.72 57.56 1cfe n HIS 93 Cb 0.22 0.11 0.31 0.00 1.12 0.00 0.00 29.99 31.76 1cfe n HIS 93 CO 0.00 0.00 0.00 -0.92 0.64 0.00 0.00 176.34 176.06 1cfe h TYR 94 N 0.00 1.04 -0.90 4.41 5.03 -1.86 0.23 116.97 124.93 1cfe h TYR 94 Ca 0.00 0.03 0.17 0.00 2.58 0.00 0.00 58.73 61.52 1cfe h TYR 94 Cb 0.64 -0.32 -0.17 0.00 1.55 0.00 0.00 36.73 38.43 1cfe h TYR 94 CO 0.00 0.30 -0.25 1.79 -1.32 0.00 0.00 178.16 178.68 1cfe h THR 95 N 0.81 0.09 -0.45 1.81 1.35 -1.92 -0.45 112.91 114.15 1cfe h THR 95 Ca 0.54 0.00 -0.11 0.00 -0.55 0.00 0.00 66.41 66.29 1cfe h THR 95 Cb 0.79 0.09 -0.01 0.00 -1.73 0.00 0.00 68.15 67.28 1cfe h THR 95 CO -0.32 0.00 -0.13 -0.61 -0.25 0.00 0.00 175.52 174.21 1cfe h GLN 96 N -0.01 0.89 -0.47 4.72 5.75 -0.85 0.23 115.11 125.37 1cfe h GLN 96 Ca 0.41 -0.35 0.09 0.00 -0.15 0.00 0.00 58.65 58.65 1cfe h GLN 96 Cb 0.65 -0.05 -0.08 0.00 1.07 0.00 0.00 27.48 29.08 1cfe h GLN 96 CO -0.92 1.00 0.02 0.28 -2.65 0.00 0.00 178.83 176.55 1cfe h VAL 97 N 0.73 0.65 0.00 2.39 2.07 -0.84 -3.08 116.25 118.16 1cfe h VAL 97 Ca 0.11 -0.04 -0.20 0.00 0.82 0.00 0.00 66.70 67.39 1cfe h VAL 97 Cb 0.68 0.51 -0.03 0.00 -1.52 0.00 0.00 31.29 30.93 1cfe h VAL 97 CO 0.05 0.02 -1.13 1.62 0.02 0.00 0.00 177.57 178.15 1cfe h VAL 98 N 0.13 1.11 0.00 2.57 3.04 -0.86 -3.45 116.25 118.79 1cfe h VAL 98 Ca 0.24 -2.74 -0.53 0.00 -1.01 0.00 0.00 66.70 62.65 1cfe h VAL 98 Cb 0.35 2.51 -0.03 0.00 -2.01 0.00 0.00 31.29 32.11 1cfe h VAL 98 CO -0.38 0.63 0.94 1.87 -1.01 0.00 0.00 177.57 179.62 1cfe n TRP 99 N -3.17 0.80 -0.24 3.17 -0.00 0.78 -4.80 117.44 113.97 1cfe n TRP 99 Ca -0.05 0.53 0.07 0.00 -0.00 0.00 0.00 57.50 58.05 1cfe n TRP 99 Cb 0.90 -1.61 0.32 0.00 -0.00 0.00 0.00 31.31 30.93 1cfe n TRP 99 CO 0.00 0.00 0.00 -0.09 -0.00 0.00 0.00 177.69 177.60 1cfe h ARG 100 N 6.42 0.80 -0.85 5.87 2.43 -0.88 -1.68 114.38 126.49 1cfe h ARG 100 Ca -0.07 -0.05 -0.01 0.00 -0.81 0.00 0.00 59.98 59.04 1cfe h ARG 100 Cb 0.99 -0.18 -0.04 0.00 -0.42 0.00 0.00 29.97 30.32 1cfe h ARG 100 CO 0.78 0.53 0.50 -0.97 -1.51 0.00 0.00 179.97 179.29 1cfe h ASN 101 N 0.82 1.03 -2.24 -3.80 -0.00 -1.85 -3.38 115.58 106.16 1cfe h ASN 101 Ca 0.37 -0.08 -0.63 0.00 -0.00 0.00 0.00 56.30 55.97 1cfe h ASN 101 Cb 0.35 -0.26 -0.13 0.00 -0.00 0.00 0.00 38.32 38.28 1cfe h ASN 101 CO -0.14 0.81 0.89 -0.44 -0.00 0.00 0.00 177.43 178.55 1cfe s SER 102 N -6.11 6.36 -0.01 1.15 0.01 -0.63 -4.44 113.70 110.03 1cfe s SER 102 Ca -0.13 -1.27 0.17 0.00 1.31 0.00 0.00 55.95 56.03 1cfe s SER 102 Cb 0.16 -2.47 0.49 0.00 0.21 0.00 0.00 66.02 64.42 1cfe s SER 102 CO 0.81 -1.42 1.41 1.33 0.41 0.00 0.00 173.24 175.78 1cfe n VAL 103 N 6.07 0.77 -4.66 3.43 0.24 -1.21 -4.82 118.33 118.15 1cfe n VAL 103 Ca 0.12 -0.75 -0.30 0.00 -2.04 0.00 0.00 64.34 61.37 1cfe n VAL 103 Cb 0.48 0.35 -0.13 0.00 -1.47 0.00 0.00 33.84 33.07 1cfe n VAL 103 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 1cfe s ARG 104 N -1.29 1.92 -0.14 7.34 1.81 -1.02 -2.52 118.95 125.04 1cfe s ARG 104 Ca 0.37 -1.07 -0.09 0.00 -1.72 0.00 0.00 55.73 53.22 1cfe s ARG 104 Cb 0.20 -2.10 0.05 0.00 -0.45 0.00 0.00 34.95 32.64 1cfe s ARG 104 CO 0.25 0.52 0.34 -1.17 -0.68 0.00 0.00 175.30 174.55 1cfe s LEU 105 N -1.51 0.34 -0.25 2.53 2.96 -1.15 -3.12 118.68 118.47 1cfe s LEU 105 Ca 0.14 0.71 -0.02 0.00 -0.22 0.00 0.00 54.13 54.74 1cfe s LEU 105 Cb -0.10 1.11 0.11 0.00 0.50 0.00 0.00 46.19 47.81 1cfe s LEU 105 CO 0.05 -0.16 0.25 -0.83 -1.32 0.00 0.00 176.35 174.34 1cfe s GLY 106 N 0.91 -0.02 0.17 7.98 0.00 -0.60 -1.11 107.32 114.66 1cfe s GLY 106 Ca -0.06 -0.13 0.03 0.00 0.00 0.00 0.00 44.72 44.55 1cfe s GLY 106 CO -0.07 2.38 0.31 0.00 0.00 0.00 0.00 173.10 175.72 1cfe n GLY 108 N -0.71 3.43 3.09 0.00 0.00 0.21 -4.57 105.19 106.64 1cfe n GLY 108 Ca -0.07 -2.07 0.03 0.00 0.00 0.00 0.00 46.02 43.91 1cfe n GLY 108 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1cfe s ARG 109 N -3.20 0.46 0.37 1.61 3.52 -1.26 -3.99 118.95 116.46 1cfe s ARG 109 Ca 0.16 0.11 -0.00 0.00 -0.13 0.00 0.00 55.73 55.86 1cfe s ARG 109 Cb 0.01 0.12 -0.03 0.00 -1.56 0.00 0.00 34.95 33.49 1cfe s ARG 109 CO 0.11 -0.76 0.58 0.00 -0.81 0.00 0.00 175.30 174.43 1cfe s ALA 110 N 2.40 3.66 -0.22 6.12 0.00 -0.38 -4.95 121.76 128.40 1cfe s ALA 110 Ca 0.17 -0.87 -0.07 0.00 0.00 0.00 0.00 51.96 51.19 1cfe s ALA 110 Cb -0.04 -2.17 -0.03 0.00 0.00 0.00 0.00 23.12 20.88 1cfe s ALA 110 CO -0.18 -0.08 0.06 0.50 0.00 0.00 0.00 175.76 176.07 1cfe s ARG 111 N -4.38 3.79 0.43 0.00 3.52 -1.26 -0.32 118.95 120.73 1cfe s ARG 111 Ca 0.41 -0.42 -0.24 0.00 -0.13 0.00 0.00 55.73 55.34 1cfe s ARG 111 Cb -0.10 -3.26 -0.08 0.00 -1.56 0.00 0.00 34.95 29.95 1cfe s ARG 111 CO 0.37 0.02 1.22 0.00 -0.81 0.00 0.00 175.30 176.11 1cfe h ASN 113 N 2.37 0.00 0.16 0.00 -1.07 -1.86 0.98 115.58 116.17 1cfe h ASN 113 Ca -0.49 0.00 0.00 0.00 0.07 0.00 0.00 56.30 55.88 1cfe h ASN 113 Cb 1.25 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.50 1cfe h ASN 113 CO 0.61 0.00 0.00 -0.46 0.07 0.00 0.00 177.43 177.65 1cfe n ASN 114 N -3.41 0.00 0.00 6.14 0.23 -1.26 -4.85 115.26 112.10 1cfe n ASN 114 Ca 0.02 0.37 0.00 0.00 -0.53 0.00 0.00 54.58 54.44 1cfe n ASN 114 Cb 0.41 -0.41 0.00 0.00 -2.08 0.00 0.00 39.78 37.70 1cfe n ASN 114 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1cfe n GLY 115 N -0.85 0.83 3.40 4.83 0.00 0.34 -5.07 105.19 108.67 1cfe n GLY 115 Ca 0.02 -0.61 -0.20 0.00 0.00 0.00 0.00 46.02 45.23 1cfe n GLY 115 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1cfe s TRP 116 N -2.00 1.84 0.53 1.61 0.51 -1.25 -4.70 118.94 115.49 1cfe s TRP 116 Ca 0.00 -0.75 -0.10 0.00 -2.12 0.00 0.00 56.10 53.14 1cfe s TRP 116 Cb 0.00 -1.05 -0.05 0.00 -0.81 0.00 0.00 33.47 31.57 1cfe s TRP 116 CO 0.00 0.21 0.91 -1.58 -0.51 0.00 0.00 176.95 175.97 1cfe s TRP 117 N -3.11 3.57 -0.39 -1.98 0.52 0.07 -0.68 118.94 116.94 1cfe s TRP 117 Ca 0.29 1.11 0.03 0.00 0.02 0.00 0.00 56.10 57.55 1cfe s TRP 117 Cb 0.04 -2.54 0.16 0.00 -1.15 0.00 0.00 33.47 29.97 1cfe s TRP 117 CO 0.11 -0.43 0.34 0.12 0.02 0.00 0.00 176.95 177.11 1cfe s PHE 118 N -2.86 0.36 -0.75 -1.98 5.36 0.56 -3.44 117.98 115.23 1cfe s PHE 118 Ca 0.52 -1.55 -0.22 0.00 -0.96 0.00 0.00 56.93 54.73 1cfe s PHE 118 Cb -0.11 -0.66 0.08 0.00 -0.34 0.00 0.00 43.02 42.00 1cfe s PHE 118 CO 0.45 -0.91 1.04 0.42 -1.46 0.00 0.00 175.22 174.77 1cfe s ILE 119 N 0.81 4.40 0.29 3.12 1.01 0.16 -1.25 121.20 129.74 1cfe s ILE 119 Ca 0.24 -0.70 -0.18 0.00 0.00 0.00 0.00 60.65 60.01 1cfe s ILE 119 Cb -0.10 -4.74 -0.09 0.00 0.01 0.00 0.00 42.46 37.55 1cfe s ILE 119 CO -0.07 -1.51 0.76 -0.44 0.00 0.00 0.00 174.94 173.68 1cfe s SER 120 N 3.74 6.93 -0.06 3.58 0.01 -1.26 -0.25 113.70 126.39 1cfe s SER 120 Ca 0.27 1.40 -0.03 0.00 1.31 0.00 0.00 55.95 58.90 1cfe s SER 120 Cb -0.13 -2.42 0.04 0.00 0.21 0.00 0.00 66.02 63.73 1cfe s SER 120 CO 0.04 -0.12 0.13 0.00 0.41 0.00 0.00 173.24 173.69 1cfe s ASN 122 N 1.63 6.63 0.02 0.00 -0.87 -0.20 -1.13 114.94 121.02 1cfe s ASN 122 Ca -0.04 0.89 0.02 0.00 -1.57 0.00 0.00 52.86 52.16 1cfe s ASN 122 Cb -0.12 -2.21 -0.01 0.00 -0.02 0.00 0.00 41.25 38.88 1cfe s ASN 122 CO -0.05 -0.02 -0.08 -0.31 -2.57 0.00 0.00 177.10 174.07 1cfe s TYR 123 N -1.72 0.67 -0.01 2.20 1.51 -1.26 -1.55 117.35 117.18 1cfe s TYR 123 Ca 0.44 -0.28 -0.02 0.00 -1.01 0.00 0.00 57.07 56.21 1cfe s TYR 123 Cb -0.12 -0.41 0.00 0.00 -0.11 0.00 0.00 41.96 41.32 1cfe s TYR 123 CO 0.21 -0.03 0.05 0.34 -1.11 0.00 0.00 175.55 175.01 1cfe s ASP 124 N -0.79 -0.00 1.44 2.29 2.15 -1.18 -4.36 116.67 116.22 1cfe s ASP 124 Ca -0.02 -0.02 -0.24 0.00 0.43 0.00 0.00 52.55 52.70 1cfe s ASP 124 Cb -0.06 0.12 0.37 0.00 -0.30 0.00 0.00 42.92 43.05 1cfe s ASP 124 CO 0.00 -0.09 0.92 -0.81 -0.17 0.00 0.00 175.17 175.02 1cfe n PRO 125 N 2.68 -4.56 -1.51 4.34 -0.04 -1.26 -2.44 135.00 132.21 1cfe n PRO 125 Ca -0.15 -1.53 -0.37 0.00 -0.04 0.00 0.00 63.50 61.41 1cfe n PRO 125 Cb 0.59 -1.85 0.05 0.00 -0.04 0.00 0.00 33.50 32.25 1cfe n PRO 125 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 1cfe n VAL 126 N -5.65 3.01 -3.95 0.52 0.24 -1.26 -4.48 118.33 106.76 1cfe n VAL 126 Ca 0.14 -0.48 -0.10 0.00 -2.04 0.00 0.00 64.34 61.86 1cfe n VAL 126 Cb 0.60 -0.94 -0.02 0.00 -1.47 0.00 0.00 33.84 32.01 1cfe n VAL 126 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1cfe s GLY 127 N -1.29 0.68 -1.19 7.63 0.00 -1.26 -4.75 107.32 107.13 1cfe s GLY 127 Ca 0.73 -0.95 -0.06 0.00 0.00 0.00 0.00 44.72 44.43 1cfe s GLY 127 CO 0.50 -0.57 0.35 -2.01 0.00 0.00 0.00 173.10 171.37 1cfe n ASN 128 N -0.97 -3.79 -0.37 1.64 5.15 -1.26 -1.79 115.26 113.86 1cfe n ASN 128 Ca -0.03 -0.20 0.00 0.00 -0.60 0.00 0.00 54.58 53.75 1cfe n ASN 128 Cb 0.61 -3.16 0.00 0.00 -0.53 0.00 0.00 39.78 36.70 1cfe n ASN 128 CO 0.00 0.00 0.00 1.87 1.40 0.00 0.00 177.26 180.53 1cfe n TRP 129 N -3.77 0.00 -0.97 1.20 -0.00 -1.26 -4.81 117.44 107.82 1cfe n TRP 129 Ca -0.05 0.00 -0.34 0.00 -0.00 0.00 0.00 57.50 57.11 1cfe n TRP 129 Cb 0.56 0.00 -0.02 0.00 -0.00 0.00 0.00 31.31 31.85 1cfe n TRP 129 CO 0.00 0.00 0.00 -0.89 -0.00 0.00 0.00 177.69 176.80 1cfe n ILE 130 N 0.00 1.29 -0.48 5.87 2.08 -1.26 -4.73 119.36 122.13 1cfe n ILE 130 Ca 0.00 -0.32 -0.06 0.00 0.56 0.00 0.00 62.75 62.93 1cfe n ILE 130 Cb 0.00 0.00 -0.08 0.00 -0.75 0.00 0.00 39.64 38.81 1cfe n ILE 130 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1cfe n GLY 131 N 1.36 1.97 1.60 7.39 0.00 -1.26 -4.67 105.19 111.58 1cfe n GLY 131 Ca 0.13 -0.56 -0.05 0.00 0.00 0.00 0.00 46.02 45.53 1cfe n GLY 131 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1cfe n GLN 132 N 2.67 1.26 -1.30 1.61 10.64 -1.26 -4.83 117.38 126.16 1cfe n GLN 132 Ca 0.20 -0.51 0.00 0.00 -1.83 0.00 0.00 57.00 54.86 1cfe n GLN 132 Cb 0.45 -1.20 0.00 0.00 -0.86 0.00 0.00 30.24 28.63 1cfe n GLN 132 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.06 175.77 1cfe n ARG 133 N 1.06 -3.25 0.06 2.61 1.74 -1.26 -4.95 116.66 112.67 1cfe n ARG 133 Ca 0.10 2.44 -0.05 0.00 -0.77 0.00 0.00 57.85 59.56 1cfe n ARG 133 Cb 0.54 -2.52 -0.10 0.00 -1.02 0.00 0.00 32.46 29.36 1cfe n ARG 133 CO 0.00 0.00 0.00 -1.00 -1.52 0.00 0.00 177.63 175.11 1cfe h PRO 134 N 2.26 0.00 0.00 5.56 0.13 -1.90 -3.41 132.00 134.63 1cfe h PRO 134 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1cfe h PRO 134 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 1cfe h PRO 134 CO 0.00 0.78 0.00 2.48 -0.23 0.00 0.00 178.00 181.03