#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 2.61 -4.91 1.08 2.85 -1.26 -1.33 115.26 114.30 1cfe n ASN 2 Ca 0.00 -0.07 -0.27 0.00 -0.11 0.00 0.00 54.58 54.13 1cfe n ASN 2 Cb 0.00 1.39 0.02 0.00 1.24 0.00 0.00 39.78 42.43 1cfe n ASN 2 CO 0.00 0.00 0.00 -0.94 -2.11 0.00 0.00 177.26 174.21 1cfe s SER 3 N -2.97 5.83 0.30 1.20 1.04 -1.26 -4.73 113.70 113.11 1cfe s SER 3 Ca -0.03 0.81 -0.01 0.00 0.48 0.00 0.00 55.95 57.20 1cfe s SER 3 Cb 0.06 -1.91 0.46 0.00 0.10 0.00 0.00 66.02 64.74 1cfe s SER 3 CO 0.39 -0.90 1.95 1.55 0.98 0.00 0.00 173.24 177.21 1cfe h PRO 4 N -0.06 1.07 -0.21 4.02 0.13 -1.97 0.51 132.00 135.49 1cfe h PRO 4 Ca -0.46 -0.06 0.06 0.00 -0.87 0.00 0.00 66.00 64.67 1cfe h PRO 4 Cb 1.24 -0.24 -0.01 0.00 0.13 0.00 0.00 31.00 32.12 1cfe h PRO 4 CO 0.61 0.71 0.26 -0.56 -0.23 0.00 0.00 178.00 178.78 1cfe h GLN 5 N 1.10 0.00 -0.17 0.86 3.07 -1.98 0.28 115.11 118.27 1cfe h GLN 5 Ca 0.33 0.00 -0.04 0.00 0.09 0.00 0.00 58.65 59.03 1cfe h GLN 5 Cb -0.04 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 27.51 1cfe h GLN 5 CO -0.09 0.00 -0.05 -0.44 0.09 0.00 0.00 178.83 178.35 1cfe h ASP 6 N 0.00 0.33 0.06 0.06 3.32 -1.24 0.23 116.42 119.18 1cfe h ASP 6 Ca 0.10 -0.37 0.03 0.00 0.02 0.00 0.00 57.03 56.80 1cfe h ASP 6 Cb 0.61 -0.09 -0.04 0.00 0.22 0.00 0.00 39.33 40.03 1cfe h ASP 6 CO -0.00 0.63 -0.29 1.88 -1.72 0.00 0.00 179.24 179.75 1cfe h TYR 7 N 0.03 -0.77 -0.35 4.55 0.05 -0.95 -0.16 116.97 119.38 1cfe h TYR 7 Ca 0.04 0.02 0.07 0.00 0.05 0.00 0.00 58.73 58.92 1cfe h TYR 7 Cb 0.49 0.33 -0.07 0.00 1.01 0.00 0.00 36.73 38.49 1cfe h TYR 7 CO 0.05 -0.38 -0.15 -0.07 -1.05 0.00 0.00 178.16 176.56 1cfe h LEU 8 N -0.47 -0.50 0.16 3.88 3.38 -1.23 -1.33 115.31 119.20 1cfe h LEU 8 Ca 0.05 0.13 0.01 0.00 0.09 0.00 0.00 57.88 58.15 1cfe h LEU 8 Cb 0.52 0.29 -0.02 0.00 0.09 0.00 0.00 40.66 41.54 1cfe h LEU 8 CO -0.21 -0.18 -0.18 0.00 0.09 0.00 0.00 178.44 177.96 1cfe h ALA 9 N 1.20 -0.35 -0.60 1.53 0.00 0.21 0.24 119.26 121.49 1cfe h ALA 9 Ca 0.17 -0.05 -0.10 0.00 0.00 0.00 0.00 54.91 54.94 1cfe h ALA 9 Cb 0.35 0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 1cfe h ALA 9 CO -0.40 -0.72 -0.00 0.28 0.00 0.00 0.00 179.25 178.40 1cfe h VAL 10 N -0.38 1.26 -0.20 0.00 2.07 -0.93 0.15 116.25 118.22 1cfe h VAL 10 Ca 0.01 -1.15 0.03 0.00 0.82 0.00 0.00 66.70 66.41 1cfe h VAL 10 Cb 0.37 0.80 -0.03 0.00 -1.52 0.00 0.00 31.29 30.91 1cfe h VAL 10 CO -0.06 0.42 0.01 0.45 0.02 0.00 0.00 177.57 178.41 1cfe h HIS 11 N 0.96 0.00 -0.71 1.57 -0.00 -0.94 -1.54 115.15 114.49 1cfe h HIS 11 Ca 0.17 0.01 -0.01 0.00 -0.00 0.00 0.00 60.37 60.54 1cfe h HIS 11 Cb 0.55 0.03 -0.03 0.00 -0.00 0.00 0.00 27.41 27.96 1cfe h HIS 11 CO 0.04 -0.02 0.40 -0.91 -0.00 0.00 0.00 177.93 177.44 1cfe h ASN 12 N 0.07 0.87 -0.10 2.45 2.35 0.02 0.42 115.58 121.66 1cfe h ASN 12 Ca 0.09 -0.06 0.02 0.00 -0.55 0.00 0.00 56.30 55.80 1cfe h ASN 12 Cb 0.11 -0.22 -0.03 0.00 0.05 0.00 0.00 38.32 38.23 1cfe h ASN 12 CO -0.15 0.69 -0.25 -0.78 -1.65 0.00 0.00 177.43 175.29 1cfe h ASP 13 N 0.98 -0.81 -0.56 5.81 1.82 -0.37 0.33 116.42 123.63 1cfe h ASP 13 Ca 0.25 0.10 0.11 0.00 -0.39 0.00 0.00 57.03 57.10 1cfe h ASP 13 Cb 0.00 0.32 -0.09 0.00 0.68 0.00 0.00 39.33 40.25 1cfe h ASP 13 CO -0.04 -0.21 0.04 0.00 -1.61 0.00 0.00 179.24 177.42 1cfe h ALA 14 N -0.86 0.59 -0.71 -0.78 0.00 -0.44 0.31 119.26 117.37 1cfe h ALA 14 Ca 0.02 0.15 -0.07 0.00 0.00 0.00 0.00 54.91 55.02 1cfe h ALA 14 Cb 0.30 0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.31 1cfe h ALA 14 CO -0.22 -0.36 0.18 0.00 0.00 0.00 0.00 179.25 178.85 1cfe h ARG 15 N 0.16 1.12 -0.31 0.00 3.08 -0.84 -2.55 114.38 115.05 1cfe h ARG 15 Ca 0.29 -0.26 0.03 0.00 0.07 0.00 0.00 59.98 60.11 1cfe h ARG 15 Cb 0.45 -0.15 -0.03 0.00 0.08 0.00 0.00 29.97 30.32 1cfe h ARG 15 CO -0.44 0.98 0.13 0.00 -1.07 0.00 0.00 179.97 179.57 1cfe h ALA 16 N 1.09 0.37 -0.73 0.04 0.00 0.90 0.30 119.26 121.22 1cfe h ALA 16 Ca 0.22 0.02 0.14 0.00 0.00 0.00 0.00 54.91 55.30 1cfe h ALA 16 Cb 0.36 -0.02 -0.10 0.00 0.00 0.00 0.00 17.79 18.03 1cfe h ALA 16 CO 0.00 -0.26 0.24 1.96 0.00 0.00 0.00 179.25 181.19 1cfe h GLN 17 N 0.28 0.36 -0.00 0.00 4.20 -0.56 -0.89 115.11 118.49 1cfe h GLN 17 Ca 0.13 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.82 1cfe h GLN 17 Cb 0.08 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 27.78 1cfe h GLN 17 CO -0.12 0.24 -0.61 1.33 -0.67 0.00 0.00 178.83 179.00 1cfe n VAL 18 N -5.06 0.00 -2.54 -0.54 0.24 -1.09 -4.98 118.33 104.35 1cfe n VAL 18 Ca 0.14 -0.04 -0.00 0.00 -2.04 0.00 0.00 64.34 62.40 1cfe n VAL 18 Cb 0.42 0.57 0.00 0.00 -1.47 0.00 0.00 33.84 33.35 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 1.47 -0.92 3.30 7.63 0.00 0.38 -5.08 105.19 111.97 1cfe n GLY 19 Ca 0.06 0.25 -0.25 0.00 0.00 0.00 0.00 46.02 46.08 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 -3.00 1.78 0.73 1.61 1.01 0.76 -5.00 120.40 118.29 1cfe s VAL 20 Ca 0.01 -1.53 -0.15 0.00 0.00 0.00 0.00 61.98 60.30 1cfe s VAL 20 Cb -0.00 -1.61 0.04 0.00 0.00 0.00 0.00 36.38 34.81 1cfe s VAL 20 CO 0.50 -0.01 1.22 -0.83 0.00 0.00 0.00 175.10 175.98 1cfe s GLY 21 N -1.84 2.38 0.73 4.51 0.00 -1.26 -4.24 107.32 107.59 1cfe s GLY 21 Ca 0.08 0.91 -0.12 0.00 0.00 0.00 0.00 44.72 45.59 1cfe s GLY 21 CO 0.04 1.33 0.78 -1.55 0.00 0.00 0.00 173.10 173.69 1cfe n PRO 22 N -2.69 -1.71 -4.48 2.90 -0.04 -1.26 -4.93 135.00 122.78 1cfe n PRO 22 Ca 0.14 -1.22 -0.23 0.00 -0.04 0.00 0.00 63.50 62.14 1cfe n PRO 22 Cb 0.50 -0.99 -0.10 0.00 -0.04 0.00 0.00 33.50 32.88 1cfe n PRO 22 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1cfe s MET 23 N -4.73 1.76 0.41 0.54 0.23 -1.26 -4.84 119.30 111.41 1cfe s MET 23 Ca 0.47 -2.02 0.03 0.00 -1.03 0.00 0.00 55.69 53.15 1cfe s MET 23 Cb -0.03 -0.77 -0.03 0.00 -1.53 0.00 0.00 34.83 32.47 1cfe s MET 23 CO 0.35 -0.30 0.11 -1.54 -2.03 0.00 0.00 175.02 171.60 1cfe s SER 24 N -3.54 2.92 -0.43 -1.18 1.04 -1.03 -5.05 113.70 106.43 1cfe s SER 24 Ca 0.31 -1.65 -0.16 0.00 0.48 0.00 0.00 55.95 54.93 1cfe s SER 24 Cb 0.06 0.46 0.03 0.00 0.10 0.00 0.00 66.02 66.67 1cfe s SER 24 CO 0.15 -0.89 0.38 0.86 0.98 0.00 0.00 173.24 174.71 1cfe s TRP 25 N -3.18 3.21 -0.60 5.02 -0.11 -1.26 -3.74 118.94 118.29 1cfe s TRP 25 Ca 0.23 -0.54 -0.25 0.00 1.22 0.00 0.00 56.10 56.75 1cfe s TRP 25 Cb 0.03 -2.81 0.04 0.00 -1.50 0.00 0.00 33.47 29.23 1cfe s TRP 25 CO 0.13 -0.67 1.06 0.16 -4.62 0.00 0.00 176.95 173.01 1cfe s ASP 26 N 1.87 6.33 0.33 5.86 1.47 -1.26 -4.93 116.67 126.33 1cfe s ASP 26 Ca 0.08 -0.31 0.03 0.00 1.18 0.00 0.00 52.55 53.53 1cfe s ASP 26 Cb -0.19 -2.48 0.57 0.00 -0.34 0.00 0.00 42.92 40.47 1cfe s ASP 26 CO 0.11 -1.41 1.88 0.00 0.68 0.00 0.00 175.17 176.43 1cfe h ALA 27 N 9.50 1.36 -0.01 2.11 0.00 -1.95 -0.09 119.26 130.17 1cfe h ALA 27 Ca -0.26 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.46 1cfe h ALA 27 Cb 1.06 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.68 1cfe h ALA 27 CO 1.15 0.45 -0.01 -0.91 0.00 0.00 0.00 179.25 179.94 1cfe h ASN 28 N 0.60 0.03 -0.46 0.00 2.35 -1.99 0.19 115.58 116.30 1cfe h ASN 28 Ca 0.13 -0.44 0.08 0.00 -0.55 0.00 0.00 56.30 55.52 1cfe h ASN 28 Cb 0.28 -0.01 -0.07 0.00 0.05 0.00 0.00 38.32 38.58 1cfe h ASN 28 CO 0.00 0.46 0.08 -0.07 -1.65 0.00 0.00 177.43 176.25 1cfe h LEU 29 N -0.40 -0.02 -0.08 1.61 3.38 -1.87 -0.08 115.31 117.84 1cfe h LEU 29 Ca 0.00 0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.06 1cfe h LEU 29 Cb 0.45 0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.32 1cfe h LEU 29 CO 0.00 0.02 0.05 0.00 0.09 0.00 0.00 178.44 178.60 1cfe h ALA 30 N 1.36 0.10 -0.14 1.53 0.00 -0.79 0.15 119.26 121.48 1cfe h ALA 30 Ca 0.23 -0.00 0.05 0.00 0.00 0.00 0.00 54.91 55.18 1cfe h ALA 30 Cb 0.30 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.02 1cfe h ALA 30 CO -0.31 -0.41 -0.20 0.66 0.00 0.00 0.00 179.25 178.98 1cfe h SER 31 N 0.10 -0.63 -0.61 0.00 4.64 -0.30 -0.74 113.55 116.01 1cfe h SER 31 Ca 0.03 0.11 -0.06 0.00 -0.47 0.00 0.00 61.79 61.40 1cfe h SER 31 Cb -0.00 0.29 -0.02 0.00 -0.31 0.00 0.00 62.40 62.35 1cfe h SER 31 CO -0.02 -0.25 0.14 -0.09 -0.87 0.00 0.00 176.83 175.74 1cfe h ARG 32 N -0.25 0.99 -0.12 4.77 2.43 -0.53 0.21 114.38 121.88 1cfe h ARG 32 Ca 0.10 -0.25 0.01 0.00 -0.81 0.00 0.00 59.98 59.04 1cfe h ARG 32 Cb 0.41 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.82 1cfe h ARG 32 CO -0.29 0.91 0.05 0.00 -1.51 0.00 0.00 179.97 179.13 1cfe h ALA 33 N 1.04 0.13 -0.54 2.80 0.00 -0.36 0.19 119.26 122.52 1cfe h ALA 33 Ca 0.19 0.01 -0.09 0.00 0.00 0.00 0.00 54.91 55.02 1cfe h ALA 33 Cb 0.37 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 1cfe h ALA 33 CO 0.00 -0.40 0.00 0.37 0.00 0.00 0.00 179.25 179.23 1cfe h GLN 34 N 0.12 0.96 -0.29 0.00 -0.00 -0.73 0.05 115.11 115.22 1cfe h GLN 34 Ca 0.05 -0.30 -0.05 0.00 -0.00 0.00 0.00 58.65 58.35 1cfe h GLN 34 Cb 0.01 -0.09 -0.01 0.00 0.00 0.00 0.00 27.48 27.40 1cfe h GLN 34 CO -0.04 0.96 -0.01 -0.91 0.00 0.00 0.00 178.83 178.84 1cfe h ASN 35 N 0.84 0.51 0.18 -0.69 -0.26 -0.41 0.12 115.58 115.87 1cfe h ASN 35 Ca 0.15 -0.32 0.01 0.00 -0.56 0.00 0.00 56.30 55.59 1cfe h ASN 35 Cb 0.53 -0.14 -0.04 0.00 -1.06 0.00 0.00 38.32 37.61 1cfe h ASN 35 CO 0.03 0.70 -0.49 0.22 -1.06 0.00 0.00 177.43 176.83 1cfe h TYR 36 N 0.31 -1.40 -0.84 1.19 3.20 -0.57 0.23 116.97 119.09 1cfe h TYR 36 Ca 0.08 0.03 0.19 0.00 3.14 0.00 0.00 58.73 62.17 1cfe h TYR 36 Cb 0.45 0.59 -0.11 0.00 1.54 0.00 0.00 36.73 39.19 1cfe h TYR 36 CO 0.04 -0.59 0.33 0.00 -1.64 0.00 0.00 178.16 176.30 1cfe h ALA 37 N -0.47 1.25 0.18 1.82 0.00 -0.68 0.39 119.26 121.75 1cfe h ALA 37 Ca -0.01 0.15 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 1cfe h ALA 37 Cb 0.76 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 1cfe h ALA 37 CO -0.24 -0.30 -0.16 -0.91 0.00 0.00 0.00 179.25 177.64 1cfe h ASN 38 N 0.39 -0.45 0.42 0.00 2.35 -0.06 -2.81 115.58 115.43 1cfe h ASN 38 Ca 0.50 0.03 0.00 0.00 -0.55 0.00 0.00 56.30 56.28 1cfe h ASN 38 Cb 0.88 0.14 0.00 0.00 0.05 0.00 0.00 38.32 39.39 1cfe h ASN 38 CO -0.50 -0.22 0.00 -1.20 -1.65 0.00 0.00 177.43 173.86 1cfe n SER 39 N -3.30 0.00 0.16 5.81 7.64 0.01 -1.30 113.62 122.63 1cfe n SER 39 Ca -0.04 0.01 0.06 0.00 1.01 0.00 0.00 58.87 59.90 1cfe n SER 39 Cb 0.15 -0.30 0.06 0.00 -1.01 0.00 0.00 64.21 63.12 1cfe n SER 39 CO 0.00 0.00 0.00 -0.09 -3.01 0.00 0.00 175.04 171.94 1cfe h ARG 40 N 0.00 0.00 -1.11 1.43 9.65 -0.20 -3.42 114.38 120.72 1cfe h ARG 40 Ca 0.00 0.00 0.33 0.00 -1.10 0.00 0.00 59.98 59.21 1cfe h ARG 40 Cb 0.21 0.00 -0.12 0.00 -1.39 0.00 0.00 29.97 28.67 1cfe h ARG 40 CO 0.00 0.30 0.69 0.00 2.80 0.00 0.00 179.97 183.76 1cfe h ALA 41 N 1.68 2.28 -0.98 2.80 0.00 -0.93 0.31 119.26 124.42 1cfe h ALA 41 Ca -0.01 0.12 0.01 0.00 0.00 0.00 0.00 54.91 55.02 1cfe h ALA 41 Cb 1.25 0.12 -0.05 0.00 0.00 0.00 0.00 17.79 19.11 1cfe h ALA 41 CO 0.04 -0.82 0.64 0.78 0.00 0.00 0.00 179.25 179.89 1cfe h GLY 42 N 0.29 1.38 0.00 0.00 0.00 -1.82 -1.78 103.07 101.15 1cfe h GLY 42 Ca 0.71 -0.53 -0.32 0.00 0.00 0.00 0.00 47.33 47.20 1cfe h GLY 42 CO -0.44 0.51 -2.15 2.09 0.00 0.00 0.00 176.54 176.56 1cfe n ASP 43 N -4.39 2.12 -3.67 0.19 5.68 0.28 -4.71 116.55 112.06 1cfe n ASP 43 Ca 0.11 0.02 -0.27 0.00 -0.50 0.00 0.00 54.79 54.16 1cfe n ASP 43 Cb 0.02 -0.42 0.05 0.00 -1.14 0.00 0.00 41.12 39.62 1cfe n ASP 43 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1cfe s ASN 45 N -3.21 6.77 -1.20 0.00 0.02 -1.26 -4.85 114.94 111.21 1cfe s ASN 45 Ca 0.59 2.28 -0.14 0.00 -1.02 0.00 0.00 52.86 54.57 1cfe s ASN 45 Cb -0.28 -2.57 -0.06 0.00 0.02 0.00 0.00 41.25 38.37 1cfe s ASN 45 CO 0.72 -0.75 2.25 0.18 0.02 0.00 0.00 177.10 179.53 1cfe n LEU 46 N 5.01 6.08 -4.00 0.60 4.77 -1.26 -4.85 117.00 123.36 1cfe n LEU 46 Ca 0.13 -3.61 -0.17 0.00 -0.03 0.00 0.00 56.01 52.33 1cfe n LEU 46 Cb 0.42 -1.39 -0.15 0.00 -2.33 0.00 0.00 43.42 39.98 1cfe n LEU 46 CO 0.60 0.77 -0.42 -0.63 -1.33 0.00 0.00 177.39 176.38 1cfe s ILE 47 N 3.57 0.59 0.00 -0.08 1.01 -1.26 -5.08 121.20 119.95 1cfe s ILE 47 Ca 0.53 -0.32 0.00 0.00 0.00 0.00 0.00 60.65 60.86 1cfe s ILE 47 Cb 0.14 -0.50 0.00 0.00 0.01 0.00 0.00 42.46 42.12 1cfe s ILE 47 CO -0.01 0.16 0.00 1.57 0.00 0.00 0.00 174.94 176.66 1cfe n HIS 48 N 2.89 0.00 -1.74 3.97 -0.00 -1.26 -5.07 115.22 114.01 1cfe n HIS 48 Ca -0.13 0.00 -0.00 0.00 -0.00 0.00 0.00 57.72 57.58 1cfe n HIS 48 Cb 0.57 0.00 -0.00 0.00 -0.00 0.00 0.00 29.99 30.56 1cfe n HIS 48 CO 0.00 0.00 0.00 -1.13 -0.00 0.00 0.00 176.34 175.21 1cfe n SER 49 N 0.00 -0.07 0.00 0.26 3.41 -1.26 -5.13 113.62 110.84 1cfe n SER 49 Ca 0.00 -0.32 0.00 0.00 -0.26 0.00 0.00 58.87 58.29 1cfe n SER 49 Cb 0.00 0.02 0.00 0.00 -0.26 0.00 0.00 64.21 63.97 1cfe n SER 49 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1cfe n GLY 50 N -0.02 0.93 2.85 5.00 0.00 -1.26 -5.13 105.19 107.56 1cfe n GLY 50 Ca -0.02 -2.09 -0.24 0.00 0.00 0.00 0.00 46.02 43.67 1cfe n GLY 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1cfe n ALA 51 N -1.00 -2.79 -2.27 4.61 0.00 -1.26 -4.71 120.51 113.09 1cfe n ALA 51 Ca 0.00 -1.33 -0.06 0.00 0.00 0.00 0.00 53.44 52.06 1cfe n ALA 51 Cb 0.00 -0.09 0.03 0.00 0.00 0.00 0.00 19.45 19.39 1cfe n ALA 51 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1cfe n GLY 52 N -3.41 0.14 3.35 0.00 0.00 -0.42 -4.70 105.19 100.15 1cfe n GLY 52 Ca 0.12 -0.06 -0.13 0.00 0.00 0.00 0.00 46.02 45.96 1cfe n GLY 52 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1cfe s GLU 53 N -3.84 1.00 -0.05 1.61 2.12 -1.26 -2.77 118.70 115.51 1cfe s GLU 53 Ca 0.11 -0.36 0.01 0.00 0.36 0.00 0.00 54.97 55.10 1cfe s GLU 53 Cb -0.01 0.45 0.02 0.00 0.26 0.00 0.00 34.13 34.85 1cfe s GLU 53 CO 0.27 -0.36 -0.05 -0.80 -0.54 0.00 0.00 175.26 173.79 1cfe s ASN 54 N -2.11 1.02 0.36 -1.70 0.01 -0.51 -5.00 114.94 107.00 1cfe s ASN 54 Ca -0.04 -0.14 0.09 0.00 -0.71 0.00 0.00 52.86 52.06 1cfe s ASN 54 Cb -0.00 -0.47 -0.06 0.00 0.41 0.00 0.00 41.25 41.13 1cfe s ASN 54 CO -0.04 -0.05 0.03 -0.76 -1.51 0.00 0.00 177.10 174.77 1cfe s LEU 55 N 0.93 2.98 -0.27 0.60 1.43 -1.26 -0.65 118.68 122.45 1cfe s LEU 55 Ca -0.11 -1.04 -0.08 0.00 -1.03 0.00 0.00 54.13 51.87 1cfe s LEU 55 Cb -0.14 -1.31 0.12 0.00 0.03 0.00 0.00 46.19 44.89 1cfe s LEU 55 CO 0.00 -0.30 0.56 0.00 0.23 0.00 0.00 176.35 176.84 1cfe s ALA 56 N -2.55 -1.75 0.11 4.21 0.00 -0.04 -4.98 121.76 116.77 1cfe s ALA 56 Ca 0.36 1.98 -0.24 0.00 0.00 0.00 0.00 51.96 54.06 1cfe s ALA 56 Cb 0.01 -1.67 -0.07 0.00 0.00 0.00 0.00 23.12 21.40 1cfe s ALA 56 CO 0.20 -0.93 0.72 -1.59 0.00 0.00 0.00 175.76 174.16 1cfe s LYS 57 N 2.79 4.47 0.00 0.00 -2.85 -1.26 -0.41 119.74 122.47 1cfe s LYS 57 Ca -0.01 1.03 0.00 0.00 -1.00 0.00 0.00 55.97 55.99 1cfe s LYS 57 Cb -0.12 -3.28 0.00 0.00 -2.06 0.00 0.00 37.83 32.36 1cfe s LYS 57 CO -0.17 0.52 0.00 0.41 0.10 0.00 0.00 175.35 176.21 1cfe n GLY 58 N 1.82 2.44 0.00 0.59 0.00 0.27 -4.98 105.19 105.33 1cfe n GLY 58 Ca -0.06 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 45.75 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 2.77 2.04 0.00 -0.02 0.00 -1.26 -4.36 105.19 104.36 1cfe n GLY 59 Ca 0.00 -0.85 0.00 0.00 0.00 0.00 0.00 46.02 45.17 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 0.53 0.62 1.45 -0.02 0.00 -1.26 -4.86 105.19 101.65 1cfe n GLY 60 Ca 0.00 -1.76 0.00 0.00 0.00 0.00 0.00 46.02 44.26 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 0.00 3.99 -4.49 1.61 5.75 -1.26 -4.81 116.55 117.35 1cfe n ASP 61 Ca 0.00 -2.05 -0.43 0.00 -0.01 0.00 0.00 54.79 52.29 1cfe n ASP 61 Cb 0.00 -0.82 0.00 0.00 -1.03 0.00 0.00 41.12 39.27 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 1.35 4.74 -2.52 2.11 7.35 -1.26 -4.97 117.46 124.27 1cfe n PHE 62 Ca 0.00 -3.07 -0.37 0.00 -0.76 0.00 0.00 57.45 53.25 1cfe n PHE 62 Cb 0.42 -2.43 -0.04 0.00 0.35 0.00 0.00 39.48 37.78 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 2.94 3.67 0.42 -2.13 -4.23 -1.26 -4.93 115.64 110.13 1cfe s THR 63 Ca 0.49 1.29 0.18 0.00 -1.18 0.00 0.00 61.69 62.47 1cfe s THR 63 Cb 0.01 -3.68 0.38 0.00 1.34 0.00 0.00 72.50 70.56 1cfe s THR 63 CO 0.04 0.02 1.85 1.23 -0.54 0.00 0.00 174.62 177.23 1cfe h GLY 64 N 2.54 0.84 0.08 3.99 0.00 -1.84 0.59 103.07 109.27 1cfe h GLY 64 Ca -0.48 -0.18 0.12 0.00 0.00 0.00 0.00 47.33 46.79 1cfe h GLY 64 CO 0.62 -0.01 0.07 -0.09 0.00 0.00 0.00 176.54 177.13 1cfe h ARG 65 N 0.39 0.18 -0.53 4.80 2.43 -1.54 -0.09 114.38 120.03 1cfe h ARG 65 Ca 0.47 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.62 1cfe h ARG 65 Cb 1.21 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 30.69 1cfe h ARG 65 CO -0.17 0.12 0.29 0.00 -1.51 0.00 0.00 179.97 178.69 1cfe h ALA 66 N 1.51 0.67 0.12 2.80 0.00 -1.15 -0.36 119.26 122.86 1cfe h ALA 66 Ca 0.32 -0.09 0.01 0.00 0.00 0.00 0.00 54.91 55.14 1cfe h ALA 66 Cb 0.50 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 1cfe h ALA 66 CO -0.46 0.20 -0.20 0.00 0.00 0.00 0.00 179.25 178.79 1cfe h ALA 67 N 1.12 -0.35 -0.47 0.00 0.00 -1.01 0.29 119.26 118.85 1cfe h ALA 67 Ca 0.18 -0.03 0.06 0.00 0.00 0.00 0.00 54.91 55.12 1cfe h ALA 67 Cb 0.05 0.31 -0.05 0.00 0.00 0.00 0.00 17.79 18.10 1cfe h ALA 67 CO -0.03 -0.73 0.17 0.28 0.00 0.00 0.00 179.25 178.94 1cfe h VAL 68 N -0.39 0.84 -0.52 0.00 2.07 -0.93 -0.10 116.25 117.23 1cfe h VAL 68 Ca 0.02 -0.12 0.13 0.00 0.82 0.00 0.00 66.70 67.56 1cfe h VAL 68 Cb 0.40 0.47 -0.02 0.00 -1.52 0.00 0.00 31.29 30.62 1cfe h VAL 68 CO -0.10 0.06 0.36 1.56 0.02 0.00 0.00 177.57 179.47 1cfe h GLN 69 N 0.34 0.11 -0.01 1.57 4.20 -0.20 0.29 115.11 121.41 1cfe h GLN 69 Ca 0.23 -0.01 -0.23 0.00 0.06 0.00 0.00 58.65 58.70 1cfe h GLN 69 Cb 0.23 -0.03 0.02 0.00 0.30 0.00 0.00 27.48 28.00 1cfe h GLN 69 CO -0.23 0.07 -0.90 1.25 -0.67 0.00 0.00 178.83 178.35 1cfe h LEU 70 N 0.11 0.81 -1.43 1.46 7.12 0.11 -2.52 115.31 120.98 1cfe h LEU 70 Ca 0.25 -0.74 -0.02 0.00 0.13 0.00 0.00 57.88 57.49 1cfe h LEU 70 Cb 0.82 -0.25 -0.02 0.00 -0.53 0.00 0.00 40.66 40.69 1cfe h LEU 70 CO -0.03 1.44 0.11 -0.50 -0.13 0.00 0.00 178.44 179.33 1cfe h TRP 71 N 0.26 0.48 -0.01 1.25 6.55 0.69 -1.20 115.95 123.97 1cfe h TRP 71 Ca -0.11 -0.02 0.00 0.00 0.95 0.00 0.00 58.89 59.71 1cfe h TRP 71 Cb 1.57 -0.15 0.00 0.00 -0.86 0.00 0.00 29.16 29.72 1cfe h TRP 71 CO 0.12 0.41 -0.01 0.28 -1.05 0.00 0.00 178.44 178.18 1cfe n VAL 72 N -4.37 0.00 0.23 1.49 0.31 0.81 -2.72 118.33 114.09 1cfe n VAL 72 Ca 0.02 -0.12 0.03 0.00 -0.01 0.00 0.00 64.34 64.25 1cfe n VAL 72 Cb 0.16 0.02 0.14 0.00 -0.91 0.00 0.00 33.84 33.24 1cfe n VAL 72 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1cfe n SER 73 N -0.45 0.00 0.00 4.52 2.88 -0.45 -3.07 113.62 117.05 1cfe n SER 73 Ca 0.21 0.39 0.03 0.00 -1.33 0.00 0.00 58.87 58.16 1cfe n SER 73 Cb 0.24 -0.42 0.17 0.00 -0.75 0.00 0.00 64.21 63.46 1cfe n SER 73 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1cfe n GLU 74 N -1.42 0.21 -0.21 -1.46 -0.58 -1.26 -4.41 120.64 111.52 1cfe n GLU 74 Ca 0.02 0.00 -0.05 0.00 -0.42 0.00 0.00 57.16 56.71 1cfe n GLU 74 Cb 0.06 -1.43 0.00 0.00 -0.57 0.00 0.00 31.44 29.51 1cfe n GLU 74 CO 0.00 0.00 0.00 -0.09 -0.48 0.00 0.00 177.13 176.56 1cfe h ARG 75 N 0.00 -0.16 0.00 3.49 9.65 -1.85 0.30 114.38 125.81 1cfe h ARG 75 Ca 0.00 0.01 0.00 0.00 -1.10 0.00 0.00 59.98 58.89 1cfe h ARG 75 Cb 0.00 0.04 0.00 0.00 -1.39 0.00 0.00 29.97 28.62 1cfe h ARG 75 CO 0.00 -0.10 0.06 -0.35 2.80 0.00 0.00 179.97 182.37 1cfe n PRO 76 N -5.43 0.03 -0.02 0.20 -0.04 -1.26 -1.48 135.00 127.00 1cfe n PRO 76 Ca 0.04 0.49 0.00 0.00 -0.04 0.00 0.00 63.50 63.99 1cfe n PRO 76 Cb 0.36 -1.66 -0.06 0.00 -0.04 0.00 0.00 33.50 32.09 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 -1.64 3.05 -4.60 3.54 3.41 0.38 -4.93 113.62 112.83 1cfe n SER 77 Ca -0.00 0.00 -0.43 0.00 -0.26 0.00 0.00 58.87 58.18 1cfe n SER 77 Cb 0.07 1.04 -0.04 0.00 -0.26 0.00 0.00 64.21 65.02 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 -2.39 3.03 -0.03 7.33 -0.85 0.77 -0.07 117.35 125.14 1cfe s TYR 78 Ca -0.04 0.71 0.07 0.00 -0.52 0.00 0.00 57.07 57.29 1cfe s TYR 78 Cb 0.04 -3.77 -0.01 0.00 0.38 0.00 0.00 41.96 38.59 1cfe s TYR 78 CO 0.34 -0.91 -0.23 1.21 -1.52 0.00 0.00 175.55 174.44 1cfe s ASN 79 N 1.99 2.72 0.00 -0.18 3.04 -1.25 -4.79 114.94 116.47 1cfe s ASN 79 Ca 0.39 -0.43 0.00 0.00 0.04 0.00 0.00 52.86 52.86 1cfe s ASN 79 Cb -0.11 -0.45 0.00 0.00 -1.54 0.00 0.00 41.25 39.15 1cfe s ASN 79 CO 0.21 0.26 0.00 0.00 -3.04 0.00 0.00 177.10 174.53 1cfe n TYR 80 N 2.68 0.00 0.00 0.43 4.19 -1.26 -4.05 117.16 119.15 1cfe n TYR 80 Ca -0.16 0.00 0.00 0.00 3.31 0.00 0.00 57.90 61.05 1cfe n TYR 80 Cb 0.52 0.00 0.00 0.00 0.49 0.00 0.00 39.34 40.35 1cfe n TYR 80 CO 0.00 0.00 0.00 0.00 0.91 0.00 0.00 176.86 177.77 1cfe n ALA 81 N -3.00 0.00 -2.00 2.98 0.00 -1.26 -4.12 120.51 113.11 1cfe n ALA 81 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1cfe n ALA 81 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 0.00 -2.50 0.00 -2.24 -1.26 -5.09 114.28 103.19 1cfe n THR 82 Ca 0.00 0.00 -0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1cfe n THR 82 Cb 0.00 -0.04 0.00 0.00 -2.10 0.00 0.00 70.33 68.19 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 0.00 -0.03 -3.67 3.42 2.85 -1.26 -5.16 115.26 111.41 1cfe n ASN 83 Ca 0.00 -1.01 -0.10 0.00 -0.11 0.00 0.00 54.58 53.36 1cfe n ASN 83 Cb 0.00 0.01 -0.04 0.00 1.24 0.00 0.00 39.78 41.00 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 0.00 1.31 0.20 1.20 -2.07 -1.26 -4.96 119.66 114.10 1cfe s GLN 84 Ca 0.00 -0.78 -0.13 0.00 -1.82 0.00 0.00 55.36 52.63 1cfe s GLN 84 Cb 0.01 0.52 -0.07 0.00 -1.09 0.00 0.00 33.01 32.38 1cfe s GLN 84 CO -0.00 -0.55 0.58 0.00 -1.32 0.00 0.00 175.29 174.00 1cfe s VAL 86 N -1.67 2.48 -0.82 0.00 1.01 0.90 -4.88 120.40 117.42 1cfe s VAL 86 Ca 0.44 0.29 -0.07 0.00 0.00 0.00 0.00 61.98 62.63 1cfe s VAL 86 Cb -0.13 -3.04 -0.15 0.00 0.00 0.00 0.00 36.38 33.05 1cfe s VAL 86 CO 0.20 -0.08 3.03 0.61 0.00 0.00 0.00 175.10 178.86 1cfe n GLY 87 N 0.51 3.47 0.10 4.51 0.00 -1.26 -4.03 105.19 108.49 1cfe n GLY 87 Ca 0.14 -1.24 -0.14 0.00 0.00 0.00 0.00 46.02 44.78 1cfe n GLY 87 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1cfe h GLY 88 N 6.31 0.20 -0.96 -0.02 0.00 -1.90 -3.49 103.07 103.21 1cfe h GLY 88 Ca 0.52 -0.28 0.04 0.00 0.00 0.00 0.00 47.33 47.61 1cfe h GLY 88 CO 1.06 0.25 0.34 0.28 0.00 0.00 0.00 176.54 178.47 1cfe n LYS 89 N -4.59 0.77 -1.83 4.80 5.02 -1.26 -5.10 118.16 115.97 1cfe n LYS 89 Ca -0.09 -1.58 -0.42 0.00 -2.02 0.00 0.00 58.31 54.20 1cfe n LYS 89 Cb 0.42 2.02 -0.03 0.00 -0.02 0.00 0.00 35.03 37.42 1cfe n LYS 89 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1cfe s LYS 90 N -2.06 3.85 -0.94 1.97 1.02 -1.26 -4.90 119.74 117.41 1cfe s LYS 90 Ca 0.15 2.17 -0.01 0.00 0.02 0.00 0.00 55.97 58.30 1cfe s LYS 90 Cb -0.03 -4.14 0.34 0.00 -0.52 0.00 0.00 37.83 33.47 1cfe s LYS 90 CO 0.08 -1.27 1.92 0.00 -0.92 0.00 0.00 175.35 175.16 1cfe n ARG 92 N -0.29 3.90 0.16 0.00 5.12 -1.26 -4.14 116.66 120.14 1cfe n ARG 92 Ca 0.50 -4.63 0.00 0.00 -1.93 0.00 0.00 57.85 51.79 1cfe n ARG 92 Cb 0.25 -2.31 0.00 0.00 -1.16 0.00 0.00 32.46 29.23 1cfe n ARG 92 CO 0.00 0.00 0.00 0.72 -1.93 0.00 0.00 177.63 176.42 1cfe n HIS 93 N -0.25 -3.92 -0.21 -1.55 8.25 -1.26 -4.92 115.22 111.35 1cfe n HIS 93 Ca 0.39 1.07 0.02 0.00 -0.26 0.00 0.00 57.72 58.94 1cfe n HIS 93 Cb 0.37 2.80 0.12 0.00 1.12 0.00 0.00 29.99 34.41 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 0.16 -0.65 4.41 3.20 -1.72 0.11 116.97 122.47 1cfe h TYR 94 Ca 0.00 0.04 0.11 0.00 3.14 0.00 0.00 58.73 62.02 1cfe h TYR 94 Cb 0.00 0.03 -0.12 0.00 1.54 0.00 0.00 36.73 38.18 1cfe h TYR 94 CO 0.00 -0.08 -0.35 1.79 -1.64 0.00 0.00 178.16 177.88 1cfe h THR 95 N 0.22 0.14 -0.72 1.81 1.35 -1.91 0.13 112.91 113.93 1cfe h THR 95 Ca 0.34 0.00 -0.06 0.00 -0.55 0.00 0.00 66.41 66.14 1cfe h THR 95 Cb 0.54 0.14 -0.03 0.00 -1.73 0.00 0.00 68.15 67.06 1cfe h THR 95 CO -0.46 0.00 0.20 -0.61 -0.25 0.00 0.00 175.52 174.41 1cfe h GLN 96 N -0.14 1.13 -0.73 4.72 5.75 -1.20 0.33 115.11 124.95 1cfe h GLN 96 Ca 0.24 -0.25 -0.01 0.00 -0.15 0.00 0.00 58.65 58.48 1cfe h GLN 96 Cb 0.56 -0.16 -0.03 0.00 1.07 0.00 0.00 27.48 28.92 1cfe h GLN 96 CO -0.73 0.97 0.42 0.28 -2.65 0.00 0.00 178.83 177.12 1cfe h VAL 97 N 1.07 1.22 0.00 2.39 2.07 0.04 -3.13 116.25 119.90 1cfe h VAL 97 Ca 0.23 -0.52 -0.18 0.00 0.82 0.00 0.00 66.70 67.05 1cfe h VAL 97 Cb 0.33 0.23 -0.03 0.00 -1.52 0.00 0.00 31.29 30.30 1cfe h VAL 97 CO -0.00 0.24 -1.00 1.62 0.02 0.00 0.00 177.57 178.44 1cfe h VAL 98 N 1.01 1.07 0.00 2.57 3.04 -0.41 -3.46 116.25 120.07 1cfe h VAL 98 Ca 0.26 -2.63 -0.31 0.00 -1.01 0.00 0.00 66.70 63.01 1cfe h VAL 98 Cb 0.01 2.48 -0.07 0.00 -2.01 0.00 0.00 31.29 31.70 1cfe h VAL 98 CO -0.04 0.61 1.35 1.87 -1.01 0.00 0.00 177.57 180.34 1cfe n TRP 99 N -3.18 0.21 -0.35 3.17 -0.00 0.11 -4.78 117.44 112.64 1cfe n TRP 99 Ca -0.03 0.14 0.00 0.00 -0.00 0.00 0.00 57.50 57.61 1cfe n TRP 99 Cb 0.86 -1.07 0.06 0.00 -0.00 0.00 0.00 31.31 31.17 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 8.20 -0.02 0.00 5.87 2.43 -0.69 0.56 114.38 130.73 1cfe h ARG 100 Ca -0.01 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.15 1cfe h ARG 100 Cb 0.87 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.42 1cfe h ARG 100 CO 1.07 -0.01 -0.08 -0.97 -1.51 0.00 0.00 179.97 178.47 1cfe h ASN 101 N -0.02 0.00 -3.67 -3.80 -0.00 -1.85 -3.38 115.58 102.86 1cfe h ASN 101 Ca 0.36 0.00 -0.59 0.00 -0.00 0.00 0.00 56.30 56.08 1cfe h ASN 101 Cb 0.62 0.00 -0.09 0.00 -0.00 0.00 0.00 38.32 38.84 1cfe h ASN 101 CO -0.94 0.08 0.69 -0.55 -0.00 0.00 0.00 177.43 176.71 1cfe s SER 102 N -5.96 6.55 0.00 1.15 0.15 0.19 -4.27 113.70 111.50 1cfe s SER 102 Ca -0.03 0.25 0.25 0.00 0.70 0.00 0.00 55.95 57.13 1cfe s SER 102 Cb 0.13 -2.48 0.55 0.00 -1.71 0.00 0.00 66.02 62.50 1cfe s SER 102 CO 0.55 -1.11 1.44 1.33 1.20 0.00 0.00 173.24 176.65 1cfe n VAL 103 N 6.53 0.00 -4.31 4.45 0.24 -1.22 -4.86 118.33 119.17 1cfe n VAL 103 Ca 0.08 -0.20 -0.33 0.00 -2.04 0.00 0.00 64.34 61.85 1cfe n VAL 103 Cb 0.49 0.71 -0.09 0.00 -1.47 0.00 0.00 33.84 33.48 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 -2.41 2.78 -0.29 7.34 0.52 -1.18 -2.48 118.95 123.23 1cfe s ARG 104 Ca 0.25 -0.60 0.04 0.00 -0.52 0.00 0.00 55.73 54.89 1cfe s ARG 104 Cb 0.19 -2.66 0.18 0.00 0.52 0.00 0.00 34.95 33.18 1cfe s ARG 104 CO 0.50 0.63 0.50 -1.17 0.02 0.00 0.00 175.30 175.78 1cfe s LEU 105 N -1.48 -1.23 -0.25 2.53 2.96 -1.24 -3.94 118.68 116.02 1cfe s LEU 105 Ca 0.19 -0.09 -0.04 0.00 -0.22 0.00 0.00 54.13 53.97 1cfe s LEU 105 Cb -0.11 1.59 0.01 0.00 0.50 0.00 0.00 46.19 48.17 1cfe s LEU 105 CO 0.09 -0.33 -0.01 -0.83 -1.32 0.00 0.00 176.35 173.96 1cfe s GLY 106 N 2.69 1.67 0.34 7.98 0.00 -0.69 -4.26 107.32 115.05 1cfe s GLY 106 Ca 0.10 -1.34 0.09 0.00 0.00 0.00 0.00 44.72 43.56 1cfe s GLY 106 CO -0.28 0.53 -0.01 0.00 0.00 0.00 0.00 173.10 173.34 1cfe s GLY 108 N -3.70 -0.07 -0.03 0.00 0.00 0.29 -4.41 107.32 99.40 1cfe s GLY 108 Ca 0.34 -0.34 0.03 0.00 0.00 0.00 0.00 44.72 44.76 1cfe s GLY 108 CO 0.19 -0.55 -0.10 -1.60 0.00 0.00 0.00 173.10 171.03 1cfe s ARG 109 N -3.68 1.07 -0.10 2.90 3.52 -1.26 -1.44 118.95 119.96 1cfe s ARG 109 Ca 0.03 -0.35 -0.09 0.00 -0.13 0.00 0.00 55.73 55.19 1cfe s ARG 109 Cb 0.03 -0.99 0.03 0.00 -1.56 0.00 0.00 34.95 32.46 1cfe s ARG 109 CO -0.10 0.13 0.26 0.00 -0.81 0.00 0.00 175.30 174.78 1cfe s ALA 110 N 0.16 -0.64 -0.77 6.12 0.00 -0.11 -4.89 121.76 121.63 1cfe s ALA 110 Ca -0.03 0.76 -0.26 0.00 0.00 0.00 0.00 51.96 52.43 1cfe s ALA 110 Cb -0.09 -0.45 0.03 0.00 0.00 0.00 0.00 23.12 22.61 1cfe s ALA 110 CO 0.01 -0.13 1.36 0.50 0.00 0.00 0.00 175.76 177.50 1cfe s ARG 111 N 0.25 3.18 0.85 0.00 3.52 -1.26 -1.48 118.95 124.01 1cfe s ARG 111 Ca -0.01 -0.28 -0.10 0.00 -0.13 0.00 0.00 55.73 55.20 1cfe s ARG 111 Cb -0.03 -4.37 0.10 0.00 -1.56 0.00 0.00 34.95 29.10 1cfe s ARG 111 CO -0.01 -2.23 1.11 0.00 -0.81 0.00 0.00 175.30 173.36 1cfe h ASN 113 N -1.48 -0.40 -0.08 0.00 4.21 -1.61 -2.77 115.58 113.45 1cfe h ASN 113 Ca -0.44 -0.15 0.00 0.00 1.21 0.00 0.00 56.30 56.91 1cfe h ASN 113 Cb 1.25 0.10 0.00 0.00 -1.12 0.00 0.00 38.32 38.56 1cfe h ASN 113 CO 0.48 -0.03 0.00 -0.46 -1.29 0.00 0.00 177.43 176.14 1cfe n ASN 114 N -5.16 2.69 -0.46 5.81 0.23 -1.26 -4.34 115.26 112.77 1cfe n ASN 114 Ca -0.10 -1.82 0.05 0.00 -0.53 0.00 0.00 54.58 52.18 1cfe n ASN 114 Cb 0.27 -0.04 0.09 0.00 -2.08 0.00 0.00 39.78 38.02 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 1.09 1.30 7.00 4.83 0.00 -1.25 -5.07 105.19 113.10 1cfe n GLY 115 Ca 0.12 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.85 1cfe n GLY 115 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1cfe n TRP 116 N 0.43 0.00 -2.68 1.61 8.01 -1.05 -3.16 117.44 120.61 1cfe n TRP 116 Ca 0.08 0.00 -0.42 0.00 -1.31 0.00 0.00 57.50 55.85 1cfe n TRP 116 Cb 0.32 0.00 -0.03 0.00 -2.01 0.00 0.00 31.31 29.59 1cfe n TRP 116 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 177.69 175.10 1cfe s TRP 117 N 0.00 2.47 -0.04 -5.99 0.52 -1.26 -0.24 118.94 114.39 1cfe s TRP 117 Ca 0.00 -0.20 -0.19 0.00 0.02 0.00 0.00 56.10 55.73 1cfe s TRP 117 Cb 0.00 -4.47 -0.05 0.00 -1.15 0.00 0.00 33.47 27.80 1cfe s TRP 117 CO 0.00 -1.86 0.53 0.12 0.02 0.00 0.00 176.95 175.76 1cfe s PHE 118 N 4.99 3.63 0.03 -1.98 5.36 -0.55 -0.57 117.98 128.90 1cfe s PHE 118 Ca 0.31 1.07 0.09 0.00 -0.96 0.00 0.00 56.93 57.43 1cfe s PHE 118 Cb -0.11 -2.54 -0.03 0.00 -0.34 0.00 0.00 43.02 40.00 1cfe s PHE 118 CO 0.14 0.33 -0.26 0.42 -1.46 0.00 0.00 175.22 174.39 1cfe s ILE 119 N -0.05 2.11 -0.01 3.12 1.09 0.45 -0.94 121.20 126.97 1cfe s ILE 119 Ca 0.28 -1.33 0.01 0.00 -1.10 0.00 0.00 60.65 58.51 1cfe s ILE 119 Cb -0.17 -1.80 0.00 0.00 -1.06 0.00 0.00 42.46 39.44 1cfe s ILE 119 CO 0.14 0.40 -0.04 -0.44 -0.10 0.00 0.00 174.94 174.91 1cfe s SER 120 N -1.12 0.57 -0.12 3.58 0.01 -0.52 -0.86 113.70 115.24 1cfe s SER 120 Ca 0.11 -0.08 -0.01 0.00 1.31 0.00 0.00 55.95 57.28 1cfe s SER 120 Cb -0.10 -0.13 0.04 0.00 0.21 0.00 0.00 66.02 66.04 1cfe s SER 120 CO 0.01 0.02 -0.01 0.00 0.41 0.00 0.00 173.24 173.67 1cfe s ASN 122 N 1.85 6.48 0.22 0.00 0.01 -0.30 -1.43 114.94 121.77 1cfe s ASN 122 Ca 0.03 0.57 0.11 0.00 -0.71 0.00 0.00 52.86 52.87 1cfe s ASN 122 Cb -0.14 -2.12 -0.05 0.00 0.41 0.00 0.00 41.25 39.36 1cfe s ASN 122 CO -0.07 0.37 -0.19 -0.31 -1.51 0.00 0.00 177.10 175.39 1cfe s TYR 123 N -0.92 2.39 -0.20 2.20 1.51 -1.11 -1.71 117.35 119.50 1cfe s TYR 123 Ca 0.17 -0.32 -0.16 0.00 -1.01 0.00 0.00 57.07 55.75 1cfe s TYR 123 Cb -0.13 -1.13 0.06 0.00 -0.11 0.00 0.00 41.96 40.64 1cfe s TYR 123 CO 0.06 0.57 0.52 0.34 -1.11 0.00 0.00 175.55 175.92 1cfe s ASP 124 N -2.98 -0.58 1.22 2.29 -1.08 -1.25 -4.50 116.67 109.79 1cfe s ASP 124 Ca 0.25 1.06 -0.14 0.00 -0.52 0.00 0.00 52.55 53.20 1cfe s ASP 124 Cb -0.07 1.04 0.31 0.00 -1.46 0.00 0.00 42.92 42.73 1cfe s ASP 124 CO 0.13 -0.19 1.01 -2.16 0.52 0.00 0.00 175.17 174.47 1cfe s PRO 125 N 0.64 -1.39 0.64 4.34 0.04 -1.26 -3.11 135.00 134.90 1cfe s PRO 125 Ca -0.03 0.69 -0.18 0.00 0.04 0.00 0.00 61.00 61.52 1cfe s PRO 125 Cb -0.05 -1.51 -0.03 0.00 0.04 0.00 0.00 34.50 32.96 1cfe s PRO 125 CO -0.04 -4.00 1.11 1.33 0.04 0.00 0.00 177.00 175.44 1cfe n VAL 126 N -5.09 4.25 -4.35 -0.36 0.24 -1.26 -4.48 118.33 107.27 1cfe n VAL 126 Ca 0.04 -0.49 -0.21 0.00 -2.04 0.00 0.00 64.34 61.64 1cfe n VAL 126 Cb 0.55 -1.29 -0.11 0.00 -1.47 0.00 0.00 33.84 31.52 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 -1.35 1.45 0.00 7.63 0.00 -1.26 -4.59 107.32 109.19 1cfe s GLY 127 Ca 0.79 -1.57 0.00 0.00 0.00 0.00 0.00 44.72 43.95 1cfe s GLY 127 CO 0.44 -1.63 0.00 0.70 0.00 0.00 0.00 173.10 172.61 1cfe n ASN 128 N 0.05 -3.75 -4.69 1.64 3.02 -1.26 -1.30 115.26 108.96 1cfe n ASN 128 Ca -0.11 0.00 -0.37 0.00 -0.03 0.00 0.00 54.58 54.07 1cfe n ASN 128 Cb 0.58 -1.59 -0.08 0.00 -0.61 0.00 0.00 39.78 38.09 1cfe n ASN 128 CO 0.00 0.00 0.00 0.86 -2.62 0.00 0.00 177.26 175.50 1cfe s TRP 129 N -1.74 3.40 0.75 3.10 -0.11 -1.26 -5.03 118.94 118.05 1cfe s TRP 129 Ca 0.00 0.54 -0.15 0.00 1.22 0.00 0.00 56.10 57.71 1cfe s TRP 129 Cb 0.00 -2.40 0.03 0.00 -1.50 0.00 0.00 33.47 29.59 1cfe s TRP 129 CO 0.00 0.11 1.05 1.51 -4.62 0.00 0.00 176.95 174.99 1cfe n ILE 130 N 4.01 2.69 -1.93 5.86 0.13 -1.26 -3.91 119.36 124.96 1cfe n ILE 130 Ca -0.11 -0.33 0.00 0.00 -1.10 0.00 0.00 62.75 61.21 1cfe n ILE 130 Cb 0.52 -1.15 0.00 0.00 -0.84 0.00 0.00 39.64 38.17 1cfe n ILE 130 CO 0.00 0.00 0.00 0.61 2.80 0.00 0.00 176.55 179.96 1cfe n GLY 131 N 0.94 0.75 3.72 4.50 0.00 -1.26 -5.09 105.19 108.75 1cfe n GLY 131 Ca 0.13 -0.50 -0.10 0.00 0.00 0.00 0.00 46.02 45.55 1cfe n GLY 131 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1cfe s GLN 132 N -3.79 1.98 -0.18 1.61 2.00 -1.25 -5.14 119.66 114.89 1cfe s GLN 132 Ca 0.00 -1.40 -0.05 0.00 -2.00 0.00 0.00 55.36 51.91 1cfe s GLN 132 Cb 0.00 0.56 -0.03 0.00 0.80 0.00 0.00 33.01 34.34 1cfe s GLN 132 CO 0.00 -0.89 0.01 1.03 -0.50 0.00 0.00 175.29 174.94 1cfe s ARG 133 N -3.02 3.76 0.21 1.67 0.52 -1.26 -5.00 118.95 115.83 1cfe s ARG 133 Ca 0.19 -0.46 -0.06 0.00 -0.52 0.00 0.00 55.73 54.88 1cfe s ARG 133 Cb -0.04 -3.07 0.18 0.00 0.52 0.00 0.00 34.95 32.54 1cfe s ARG 133 CO 0.12 0.18 1.66 -1.00 0.02 0.00 0.00 175.30 176.28 1cfe h PRO 134 N 6.96 0.90 0.00 3.54 0.13 -1.92 -3.31 132.00 138.29 1cfe h PRO 134 Ca -0.34 -0.30 0.00 0.00 -0.87 0.00 0.00 66.00 64.48 1cfe h PRO 134 Cb 1.18 -0.07 0.00 0.00 0.13 0.00 0.00 31.00 32.24 1cfe h PRO 134 CO 0.64 0.95 0.00 2.48 -0.23 0.00 0.00 178.00 181.84