#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 -1.23 -0.30 1.08 2.85 -1.26 -4.36 115.26 112.04 1cfe n ASN 2 Ca 0.00 -2.02 0.04 0.00 -0.11 0.00 0.00 54.58 52.48 1cfe n ASN 2 Cb 0.00 2.10 -0.01 0.00 1.24 0.00 0.00 39.78 43.10 1cfe n ASN 2 CO 0.00 0.00 0.00 -1.20 -2.11 0.00 0.00 177.26 173.95 1cfe n SER 3 N -1.47 -1.81 -0.27 1.20 7.64 -1.26 -3.96 113.62 113.69 1cfe n SER 3 Ca -0.04 0.20 -0.05 0.00 1.01 0.00 0.00 58.87 60.00 1cfe n SER 3 Cb 0.36 -0.97 0.10 0.00 -1.01 0.00 0.00 64.21 62.69 1cfe n SER 3 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 1cfe h PRO 4 N -0.29 1.14 -0.38 1.43 0.13 -2.02 -1.86 132.00 130.15 1cfe h PRO 4 Ca -0.02 -0.19 0.11 0.00 -0.87 0.00 0.00 66.00 65.04 1cfe h PRO 4 Cb 0.28 -0.19 -0.02 0.00 0.13 0.00 0.00 31.00 31.20 1cfe h PRO 4 CO 0.01 0.91 0.44 -0.56 -0.23 0.00 0.00 178.00 178.57 1cfe h GLN 5 N 1.12 0.00 0.50 0.86 3.07 -1.97 -0.47 115.11 118.22 1cfe h GLN 5 Ca 0.26 0.00 -0.02 0.00 0.09 0.00 0.00 58.65 58.98 1cfe h GLN 5 Cb 0.18 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 27.73 1cfe h GLN 5 CO -0.03 0.00 -0.41 -0.44 0.09 0.00 0.00 178.83 178.04 1cfe h ASP 6 N 0.00 -1.10 0.20 0.06 5.19 -1.46 0.25 116.42 119.57 1cfe h ASP 6 Ca 0.18 0.08 -0.01 0.00 -0.62 0.00 0.00 57.03 56.66 1cfe h ASP 6 Cb 1.07 0.35 0.00 0.00 0.18 0.00 0.00 39.33 40.92 1cfe h ASP 6 CO -0.00 -0.57 -0.10 1.88 -3.12 0.00 0.00 179.24 177.33 1cfe h TYR 7 N -0.89 -0.25 -0.93 4.55 -1.99 -1.30 -2.71 116.97 113.45 1cfe h TYR 7 Ca -0.07 -0.01 0.10 0.00 2.00 0.00 0.00 58.73 60.75 1cfe h TYR 7 Cb 0.75 0.08 -0.07 0.00 2.00 0.00 0.00 36.73 39.49 1cfe h TYR 7 CO -0.16 -0.04 0.60 -0.07 -0.00 0.00 0.00 178.16 178.49 1cfe h LEU 8 N -0.43 0.87 0.33 3.88 3.38 -1.26 -0.18 115.31 121.89 1cfe h LEU 8 Ca -0.03 0.02 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 1cfe h LEU 8 Cb 0.33 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.89 1cfe h LEU 8 CO 0.05 0.51 -0.52 0.00 0.09 0.00 0.00 178.44 178.57 1cfe h ALA 9 N 1.53 -1.09 -0.24 1.53 0.00 -0.18 0.99 119.26 121.81 1cfe h ALA 9 Ca 0.43 -0.16 -0.12 0.00 0.00 0.00 0.00 54.91 55.07 1cfe h ALA 9 Cb 0.38 0.81 -0.01 0.00 0.00 0.00 0.00 17.79 18.97 1cfe h ALA 9 CO -0.19 -1.16 -0.35 0.28 0.00 0.00 0.00 179.25 177.83 1cfe h VAL 10 N -0.89 1.29 0.74 0.00 2.07 -1.18 0.50 116.25 118.78 1cfe h VAL 10 Ca -0.04 -1.47 -0.04 0.00 0.82 0.00 0.00 66.70 65.97 1cfe h VAL 10 Cb 0.82 1.49 0.01 0.00 -1.52 0.00 0.00 31.29 32.09 1cfe h VAL 10 CO -0.17 0.46 -0.36 0.45 0.02 0.00 0.00 177.57 177.97 1cfe h HIS 11 N 0.44 -0.95 -0.62 1.57 -0.00 -0.89 0.62 115.15 115.32 1cfe h HIS 11 Ca 0.05 -0.02 0.09 0.00 -0.00 0.00 0.00 60.37 60.48 1cfe h HIS 11 Cb 0.82 0.31 -0.07 0.00 -0.00 0.00 0.00 27.41 28.48 1cfe h HIS 11 CO 0.03 -0.58 0.26 -0.91 -0.00 0.00 0.00 177.93 176.72 1cfe h ASN 12 N -1.01 0.29 0.04 2.45 2.35 -0.59 0.43 115.58 119.56 1cfe h ASN 12 Ca -0.10 0.07 0.00 0.00 -0.55 0.00 0.00 56.30 55.72 1cfe h ASN 12 Cb 0.78 0.03 -0.01 0.00 0.05 0.00 0.00 38.32 39.16 1cfe h ASN 12 CO 0.16 0.18 -0.16 -0.78 -1.65 0.00 0.00 177.43 175.18 1cfe h ASP 13 N 0.46 -0.49 -1.00 5.81 3.58 -0.80 0.87 116.42 124.86 1cfe h ASP 13 Ca 0.31 0.05 0.23 0.00 0.42 0.00 0.00 57.03 58.04 1cfe h ASP 13 Cb 0.34 0.18 -0.09 0.00 1.72 0.00 0.00 39.33 41.48 1cfe h ASP 13 CO -0.28 -0.17 0.63 0.00 -2.88 0.00 0.00 179.24 176.54 1cfe h ALA 14 N -1.25 2.07 0.11 -0.78 0.00 -0.26 0.26 119.26 119.41 1cfe h ALA 14 Ca -0.00 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 1cfe h ALA 14 Cb 0.24 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1cfe h ALA 14 CO -0.09 -0.44 -0.05 0.00 0.00 0.00 0.00 179.25 178.67 1cfe h ARG 15 N 0.49 -0.15 -0.91 0.00 3.08 -0.78 -3.10 114.38 113.02 1cfe h ARG 15 Ca 0.56 0.01 0.15 0.00 0.07 0.00 0.00 59.98 60.77 1cfe h ARG 15 Cb 1.26 0.03 -0.10 0.00 0.08 0.00 0.00 29.97 31.25 1cfe h ARG 15 CO -0.29 0.13 0.51 0.00 -1.07 0.00 0.00 179.97 179.25 1cfe h ALA 16 N 0.43 1.41 -1.02 0.04 0.00 0.20 0.95 119.26 121.27 1cfe h ALA 16 Ca -0.02 0.07 0.26 0.00 0.00 0.00 0.00 54.91 55.22 1cfe h ALA 16 Cb 0.34 -0.06 -0.08 0.00 0.00 0.00 0.00 17.79 17.98 1cfe h ALA 16 CO 0.03 -0.03 0.66 1.96 0.00 0.00 0.00 179.25 181.87 1cfe h GLN 17 N 0.72 0.36 -0.14 0.00 1.08 -0.82 0.29 115.11 116.61 1cfe h GLN 17 Ca 0.50 -0.02 -0.03 0.00 -1.45 0.00 0.00 58.65 57.64 1cfe h GLN 17 Cb 0.69 -0.08 -0.02 0.00 -0.05 0.00 0.00 27.48 28.02 1cfe h GLN 17 CO -0.35 0.24 -0.09 1.33 -0.95 0.00 0.00 178.83 179.01 1cfe n VAL 18 N -4.57 2.18 -1.43 -0.54 0.24 -0.39 -4.98 118.33 108.84 1cfe n VAL 18 Ca 0.24 -2.40 -0.15 0.00 -2.04 0.00 0.00 64.34 59.99 1cfe n VAL 18 Cb 0.86 -0.26 -0.06 0.00 -1.47 0.00 0.00 33.84 32.90 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 -1.07 1.51 3.78 7.63 0.00 0.09 -4.98 105.19 112.16 1cfe n GLY 19 Ca 0.21 -0.33 -0.38 0.00 0.00 0.00 0.00 46.02 45.52 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 -2.54 4.36 0.96 1.61 1.01 0.19 -4.93 120.40 121.06 1cfe s VAL 20 Ca 0.00 1.66 -0.11 0.00 0.00 0.00 0.00 61.98 63.53 1cfe s VAL 20 Cb 0.00 -4.07 0.13 0.00 0.00 0.00 0.00 36.38 32.44 1cfe s VAL 20 CO 0.00 0.38 0.91 0.61 0.00 0.00 0.00 175.10 177.00 1cfe n GLY 21 N 1.19 -1.02 0.00 4.51 0.00 -1.26 -3.76 105.19 104.86 1cfe n GLY 21 Ca -0.03 -0.77 0.00 0.00 0.00 0.00 0.00 46.02 45.22 1cfe n GLY 21 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1cfe n PRO 22 N -3.60 0.60 -4.01 1.61 -0.04 -1.26 -4.85 135.00 123.45 1cfe n PRO 22 Ca 0.09 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.44 1cfe n PRO 22 Cb 0.53 0.00 -0.04 0.00 -0.04 0.00 0.00 33.50 33.95 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 -0.69 1.78 0.35 0.54 0.23 -1.26 -4.92 119.30 115.32 1cfe s MET 23 Ca 0.00 -1.48 0.03 0.00 -1.03 0.00 0.00 55.69 53.21 1cfe s MET 23 Cb 0.00 0.48 -0.05 0.00 -1.53 0.00 0.00 34.83 33.73 1cfe s MET 23 CO 0.00 -0.75 0.09 -1.54 -2.03 0.00 0.00 175.02 170.79 1cfe s SER 24 N -3.11 2.35 0.64 -1.18 1.04 -0.05 -5.01 113.70 108.39 1cfe s SER 24 Ca 0.25 -1.49 -0.06 0.00 0.48 0.00 0.00 55.95 55.13 1cfe s SER 24 Cb -0.01 0.18 0.03 0.00 0.10 0.00 0.00 66.02 66.32 1cfe s SER 24 CO 0.14 -0.75 0.95 0.86 0.98 0.00 0.00 173.24 175.42 1cfe s TRP 25 N -3.33 3.08 -0.03 5.02 -0.11 -1.26 -1.27 118.94 121.04 1cfe s TRP 25 Ca 0.32 0.53 -0.03 0.00 1.22 0.00 0.00 56.10 58.14 1cfe s TRP 25 Cb 0.06 -2.96 0.01 0.00 -1.50 0.00 0.00 33.47 29.08 1cfe s TRP 25 CO 0.15 -1.11 0.08 0.34 -4.62 0.00 0.00 176.95 171.80 1cfe s ASP 26 N -4.41 -0.07 0.12 5.86 2.15 0.12 -4.47 116.67 115.97 1cfe s ASP 26 Ca 0.57 0.12 -0.12 0.00 0.43 0.00 0.00 52.55 53.56 1cfe s ASP 26 Cb -0.11 0.17 -0.10 0.00 -0.30 0.00 0.00 42.92 42.59 1cfe s ASP 26 CO 0.45 -0.06 1.39 0.00 -0.17 0.00 0.00 175.17 176.78 1cfe h ALA 27 N 5.86 0.44 0.19 3.66 0.00 -1.99 -3.16 119.26 124.26 1cfe h ALA 27 Ca -0.25 -0.53 -0.01 0.00 0.00 0.00 0.00 54.91 54.12 1cfe h ALA 27 Cb 1.20 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.93 1cfe h ALA 27 CO 0.45 0.68 -0.09 -0.91 0.00 0.00 0.00 179.25 179.38 1cfe h ASN 28 N 0.66 -0.22 -0.94 0.00 2.35 -1.96 -0.57 115.58 114.90 1cfe h ASN 28 Ca 0.01 -0.30 0.11 0.00 -0.55 0.00 0.00 56.30 55.57 1cfe h ASN 28 Cb 1.19 0.06 -0.08 0.00 0.05 0.00 0.00 38.32 39.54 1cfe h ASN 28 CO 0.13 0.32 0.58 -0.07 -1.65 0.00 0.00 177.43 176.74 1cfe h LEU 29 N -0.90 0.84 -0.08 1.61 3.38 -1.89 -0.11 115.31 118.16 1cfe h LEU 29 Ca -0.03 0.05 0.02 0.00 0.09 0.00 0.00 57.88 58.01 1cfe h LEU 29 Cb 0.50 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.12 1cfe h LEU 29 CO 0.04 0.46 -0.03 0.00 0.09 0.00 0.00 178.44 179.00 1cfe h ALA 30 N 1.51 0.04 0.11 1.53 0.00 -1.50 0.14 119.26 121.09 1cfe h ALA 30 Ca 0.46 0.03 0.02 0.00 0.00 0.00 0.00 54.91 55.43 1cfe h ALA 30 Cb 0.45 0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.28 1cfe h ALA 30 CO -0.26 -0.50 -0.28 0.66 0.00 0.00 0.00 179.25 178.87 1cfe h SER 31 N -0.02 -0.80 -0.55 0.00 4.64 -0.03 0.67 113.55 117.46 1cfe h SER 31 Ca 0.04 0.09 0.11 0.00 -0.47 0.00 0.00 61.79 61.57 1cfe h SER 31 Cb 0.09 0.31 -0.11 0.00 -0.31 0.00 0.00 62.40 62.38 1cfe h SER 31 CO -0.10 -0.37 -0.18 -0.09 -0.87 0.00 0.00 176.83 175.22 1cfe h ARG 32 N -0.49 -0.04 -0.23 4.77 9.65 -0.75 0.60 114.38 127.88 1cfe h ARG 32 Ca 0.03 0.00 -0.03 0.00 -1.10 0.00 0.00 59.98 58.88 1cfe h ARG 32 Cb 0.52 0.01 -0.01 0.00 -1.39 0.00 0.00 29.97 29.10 1cfe h ARG 32 CO -0.17 -0.03 0.01 0.00 2.80 0.00 0.00 179.97 182.58 1cfe h ALA 33 N 1.44 0.31 -0.47 2.80 0.00 -0.20 0.16 119.26 123.29 1cfe h ALA 33 Ca 0.26 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 1cfe h ALA 33 Cb 0.45 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 1cfe h ALA 33 CO -0.59 0.03 0.20 0.37 0.00 0.00 0.00 179.25 179.25 1cfe h GLN 34 N 0.18 0.70 -0.03 0.00 -0.00 -0.36 0.97 115.11 116.58 1cfe h GLN 34 Ca 0.07 -0.12 0.02 0.00 -0.00 0.00 0.00 58.65 58.61 1cfe h GLN 34 Cb 0.39 -0.12 -0.02 0.00 0.00 0.00 0.00 27.48 27.73 1cfe h GLN 34 CO 0.01 0.62 -0.07 -0.91 0.00 0.00 0.00 178.83 178.48 1cfe h ASN 35 N 0.62 -0.21 -0.02 -0.69 4.21 -0.82 0.06 115.58 118.73 1cfe h ASN 35 Ca 0.16 0.04 0.01 0.00 1.21 0.00 0.00 56.30 57.71 1cfe h ASN 35 Cb 0.17 0.10 -0.01 0.00 -1.12 0.00 0.00 38.32 37.46 1cfe h ASN 35 CO -0.02 -0.10 -0.01 0.22 -1.29 0.00 0.00 177.43 176.23 1cfe h TYR 36 N -0.11 -0.03 -0.35 1.19 5.03 -0.21 0.62 116.97 123.11 1cfe h TYR 36 Ca 0.04 0.00 0.07 0.00 2.58 0.00 0.00 58.73 61.42 1cfe h TYR 36 Cb 0.16 0.02 -0.06 0.00 1.55 0.00 0.00 36.73 38.40 1cfe h TYR 36 CO -0.15 -0.02 -0.05 0.00 -1.32 0.00 0.00 178.16 176.61 1cfe h ALA 37 N 1.00 0.27 -0.32 1.82 0.00 -0.76 -1.46 119.26 119.81 1cfe h ALA 37 Ca 0.01 0.12 0.07 0.00 0.00 0.00 0.00 54.91 55.12 1cfe h ALA 37 Cb 0.03 0.23 -0.07 0.00 0.00 0.00 0.00 17.79 17.98 1cfe h ALA 37 CO -0.03 -0.44 -0.15 -0.91 0.00 0.00 0.00 179.25 177.72 1cfe h ASN 38 N 0.04 -0.51 -0.40 0.00 2.35 -0.25 0.16 115.58 116.97 1cfe h ASN 38 Ca 0.17 0.12 0.01 0.00 -0.55 0.00 0.00 56.30 56.06 1cfe h ASN 38 Cb 0.25 0.28 -0.02 0.00 0.05 0.00 0.00 38.32 38.88 1cfe h ASN 38 CO -0.33 -0.19 0.24 0.77 -1.65 0.00 0.00 177.43 176.27 1cfe h SER 39 N -0.10 0.40 0.85 5.81 4.64 -0.12 -2.64 113.55 122.39 1cfe h SER 39 Ca 0.16 -0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.36 1cfe h SER 39 Cb 0.35 -0.09 -0.02 0.00 -0.31 0.00 0.00 62.40 62.33 1cfe h SER 39 CO -0.38 0.29 -0.57 0.03 -0.87 0.00 0.00 176.83 175.33 1cfe h ARG 40 N 0.50 0.00 -1.08 4.77 2.47 -0.90 -3.33 114.38 116.80 1cfe h ARG 40 Ca 0.15 0.00 0.34 0.00 -1.26 0.00 0.00 59.98 59.21 1cfe h ARG 40 Cb -0.02 0.00 -0.14 0.00 -1.65 0.00 0.00 29.97 28.17 1cfe h ARG 40 CO -0.06 0.57 0.65 0.00 0.56 0.00 0.00 179.97 181.69 1cfe h ALA 41 N 1.43 2.19 -0.35 0.04 0.00 -0.30 0.46 119.26 122.72 1cfe h ALA 41 Ca -0.01 0.15 0.06 0.00 0.00 0.00 0.00 54.91 55.12 1cfe h ALA 41 Cb 1.15 0.15 -0.06 0.00 0.00 0.00 0.00 17.79 19.03 1cfe h ALA 41 CO 0.07 -0.78 -0.11 0.41 0.00 0.00 0.00 179.25 178.85 1cfe n GLY 42 N -1.37 -0.65 1.64 0.00 0.00 -1.25 -0.96 105.19 102.59 1cfe n GLY 42 Ca 0.32 0.38 0.02 0.00 0.00 0.00 0.00 46.02 46.75 1cfe n GLY 42 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1cfe n ASP 43 N -4.55 1.36 0.00 1.61 2.03 -0.19 -4.39 116.55 112.42 1cfe n ASP 43 Ca 0.05 -2.34 0.00 0.00 0.52 0.00 0.00 54.79 53.02 1cfe n ASP 43 Cb 0.16 -0.37 0.00 0.00 -0.72 0.00 0.00 41.12 40.19 1cfe n ASP 43 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1cfe n ASN 45 N 2.53 -7.10 -4.58 0.00 5.03 -1.26 -4.34 115.26 105.54 1cfe n ASN 45 Ca 0.00 0.79 -0.22 0.00 0.87 0.00 0.00 54.58 56.01 1cfe n ASN 45 Cb 0.00 -1.49 -0.08 0.00 -1.02 0.00 0.00 39.78 37.19 1cfe n ASN 45 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 1cfe s LEU 46 N -0.24 2.81 0.09 3.41 1.43 -1.26 -4.88 118.68 120.03 1cfe s LEU 46 Ca 0.00 -1.16 0.09 0.00 -1.03 0.00 0.00 54.13 52.03 1cfe s LEU 46 Cb 0.00 -2.59 -0.03 0.00 0.03 0.00 0.00 46.19 43.60 1cfe s LEU 46 CO 0.00 -3.68 -0.25 -0.63 0.23 0.00 0.00 176.35 172.02 1cfe s ILE 47 N 13.28 2.03 0.00 -0.59 1.09 -1.26 -5.03 121.20 130.72 1cfe s ILE 47 Ca 0.75 -1.52 0.00 0.00 -1.10 0.00 0.00 60.65 58.78 1cfe s ILE 47 Cb -0.04 -1.78 0.00 0.00 -1.06 0.00 0.00 42.46 39.58 1cfe s ILE 47 CO 0.13 0.16 0.00 0.00 -0.10 0.00 0.00 174.94 175.13 1cfe n HIS 48 N 1.34 0.00 0.00 3.97 1.44 -1.26 -5.03 115.22 115.68 1cfe n HIS 48 Ca -0.18 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.53 1cfe n HIS 48 Cb 0.53 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.64 1cfe n HIS 48 CO 0.00 0.00 0.00 -1.13 -2.81 0.00 0.00 176.34 172.40 1cfe n SER 49 N -0.17 0.00 -3.08 4.39 3.41 -1.26 -4.87 113.62 112.04 1cfe n SER 49 Ca 0.00 0.00 -0.42 0.00 -0.26 0.00 0.00 58.87 58.19 1cfe n SER 49 Cb 0.00 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 63.89 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 0.00 -0.04 1.74 5.00 0.00 -1.26 -4.74 105.19 105.88 1cfe n GLY 50 Ca 0.00 0.58 -0.05 0.00 0.00 0.00 0.00 46.02 46.56 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 1.78 4.84 0.00 4.61 0.00 -1.26 -2.53 120.51 127.94 1cfe n ALA 51 Ca 0.17 -0.75 0.00 0.00 0.00 0.00 0.00 53.44 52.86 1cfe n ALA 51 Cb 0.01 -1.59 0.00 0.00 0.00 0.00 0.00 19.45 17.87 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 1.95 0.00 3.81 0.00 0.00 -1.25 -1.29 105.19 108.42 1cfe n GLY 52 Ca 0.18 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.85 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 -1.58 4.29 -0.11 1.61 2.02 -1.05 -4.62 118.70 119.26 1cfe s GLU 53 Ca 0.00 1.04 0.01 0.00 0.02 0.00 0.00 54.97 56.04 1cfe s GLU 53 Cb 0.00 -2.55 0.02 0.00 0.10 0.00 0.00 34.13 31.69 1cfe s GLU 53 CO 0.00 0.18 -0.14 1.21 0.02 0.00 0.00 175.26 176.53 1cfe s ASN 54 N -1.93 2.38 0.30 -0.19 3.84 -0.45 -4.99 114.94 113.90 1cfe s ASN 54 Ca 0.53 -0.41 0.09 0.00 0.21 0.00 0.00 52.86 53.29 1cfe s ASN 54 Cb -0.14 -1.05 -0.05 0.00 -0.55 0.00 0.00 41.25 39.47 1cfe s ASN 54 CO 0.19 -0.01 0.01 -0.76 -2.79 0.00 0.00 177.10 173.73 1cfe s LEU 55 N 1.11 3.09 -0.15 3.21 1.43 -1.26 -0.81 118.68 125.31 1cfe s LEU 55 Ca -0.04 -0.79 -0.08 0.00 -1.03 0.00 0.00 54.13 52.19 1cfe s LEU 55 Cb -0.14 -1.57 0.06 0.00 0.03 0.00 0.00 46.19 44.56 1cfe s LEU 55 CO -0.03 -0.10 0.35 0.00 0.23 0.00 0.00 176.35 176.79 1cfe s ALA 56 N -2.41 -0.87 0.27 4.21 0.00 0.18 -4.98 121.76 118.16 1cfe s ALA 56 Ca 0.33 1.32 -0.05 0.00 0.00 0.00 0.00 51.96 53.56 1cfe s ALA 56 Cb -0.04 -0.86 -0.05 0.00 0.00 0.00 0.00 23.12 22.16 1cfe s ALA 56 CO 0.20 -0.30 0.53 -1.59 0.00 0.00 0.00 175.76 174.60 1cfe s LYS 57 N 1.49 3.65 0.01 0.00 -2.85 -1.26 -0.44 119.74 120.34 1cfe s LYS 57 Ca -0.08 0.01 -0.14 0.00 -1.00 0.00 0.00 55.97 54.75 1cfe s LYS 57 Cb -0.09 -2.67 0.05 0.00 -2.06 0.00 0.00 37.83 33.05 1cfe s LYS 57 CO -0.11 0.26 0.66 0.41 0.10 0.00 0.00 175.35 176.66 1cfe n GLY 58 N -0.75 0.52 1.69 0.59 0.00 0.12 -4.97 105.19 102.39 1cfe n GLY 58 Ca -0.02 -0.97 -0.13 0.00 0.00 0.00 0.00 46.02 44.90 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 -0.47 -1.51 0.37 -0.02 0.00 -1.26 -0.35 105.19 101.95 1cfe n GLY 59 Ca 0.02 -1.65 0.20 0.00 0.00 0.00 0.00 46.02 44.58 1cfe n GLY 59 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1cfe h GLY 60 N -0.89 1.64 0.82 -0.02 0.00 -1.95 -2.07 103.07 100.59 1cfe h GLY 60 Ca -0.19 -0.27 0.00 0.00 0.00 0.00 0.00 47.33 46.87 1cfe h GLY 60 CO 0.13 -0.21 -0.05 2.09 0.00 0.00 0.00 176.54 178.50 1cfe n ASP 61 N -4.78 0.43 -4.68 0.19 5.75 -1.26 -4.92 116.55 107.27 1cfe n ASP 61 Ca 0.27 -0.76 -0.42 0.00 -0.01 0.00 0.00 54.79 53.86 1cfe n ASP 61 Cb 0.81 -0.07 -0.03 0.00 -1.03 0.00 0.00 41.12 40.81 1cfe n ASP 61 CO 0.00 0.00 0.00 0.12 -0.11 0.00 0.00 177.20 177.21 1cfe s PHE 62 N -2.29 2.69 0.31 2.11 5.36 -0.78 -5.01 117.98 120.36 1cfe s PHE 62 Ca 0.35 0.72 0.07 0.00 -0.96 0.00 0.00 56.93 57.12 1cfe s PHE 62 Cb 0.21 -3.69 -0.03 0.00 -0.34 0.00 0.00 43.02 39.17 1cfe s PHE 62 CO 0.43 -2.62 0.26 0.95 -1.46 0.00 0.00 175.22 172.78 1cfe s THR 63 N 2.85 3.85 0.14 0.12 -4.23 -1.26 -4.97 115.64 112.14 1cfe s THR 63 Ca 0.64 -1.38 -0.14 0.00 -1.18 0.00 0.00 61.69 59.64 1cfe s THR 63 Cb -0.30 -3.26 0.00 0.00 1.34 0.00 0.00 72.50 70.28 1cfe s THR 63 CO 0.25 -0.23 1.62 1.23 -0.54 0.00 0.00 174.62 176.95 1cfe h GLY 64 N 1.33 0.80 0.46 3.99 0.00 -1.96 -1.24 103.07 106.46 1cfe h GLY 64 Ca -0.46 -0.54 0.05 0.00 0.00 0.00 0.00 47.33 46.38 1cfe h GLY 64 CO 0.59 0.50 -0.07 -0.09 0.00 0.00 0.00 176.54 177.47 1cfe h ARG 65 N 0.61 -0.01 -0.87 4.80 2.43 -1.84 -0.93 114.38 118.56 1cfe h ARG 65 Ca 0.14 0.00 0.07 0.00 -0.81 0.00 0.00 59.98 59.37 1cfe h ARG 65 Cb 0.39 0.00 -0.06 0.00 -0.42 0.00 0.00 29.97 29.88 1cfe h ARG 65 CO 0.01 -0.01 0.54 0.00 -1.51 0.00 0.00 179.97 179.00 1cfe h ALA 66 N 1.25 1.21 0.20 2.80 0.00 -1.90 0.12 119.26 122.93 1cfe h ALA 66 Ca 0.13 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1cfe h ALA 66 Cb 0.20 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1cfe h ALA 66 CO -0.27 0.27 -0.17 0.00 0.00 0.00 0.00 179.25 179.08 1cfe h ALA 67 N 1.42 -0.36 -0.77 0.00 0.00 -0.22 0.12 119.26 119.45 1cfe h ALA 67 Ca 0.39 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 55.21 1cfe h ALA 67 Cb 0.20 0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.19 1cfe h ALA 67 CO -0.18 -0.72 0.35 0.28 0.00 0.00 0.00 179.25 178.98 1cfe h VAL 68 N -0.39 1.25 -0.92 0.00 2.07 -0.73 0.02 116.25 117.56 1cfe h VAL 68 Ca -0.00 -0.72 0.18 0.00 0.82 0.00 0.00 66.70 66.97 1cfe h VAL 68 Cb 0.35 0.30 -0.08 0.00 -1.52 0.00 0.00 31.29 30.34 1cfe h VAL 68 CO -0.03 0.30 0.59 1.56 0.02 0.00 0.00 177.57 180.02 1cfe h GLN 69 N 1.10 0.56 -0.22 1.57 4.20 -0.50 0.17 115.11 121.98 1cfe h GLN 69 Ca 0.26 -0.03 -0.16 0.00 0.06 0.00 0.00 58.65 58.78 1cfe h GLN 69 Cb 0.15 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 27.80 1cfe h GLN 69 CO -0.03 0.37 -0.53 1.25 -0.67 0.00 0.00 178.83 179.22 1cfe h LEU 70 N 0.57 0.70 -1.07 1.46 7.12 0.12 0.13 115.31 124.33 1cfe h LEU 70 Ca 0.49 -0.37 -0.08 0.00 0.13 0.00 0.00 57.88 58.05 1cfe h LEU 70 Cb 0.97 -0.20 -0.01 0.00 -0.53 0.00 0.00 40.66 40.89 1cfe h LEU 70 CO -0.23 1.10 -0.24 -0.50 -0.13 0.00 0.00 178.44 178.44 1cfe h TRP 71 N 0.49 0.41 0.00 1.25 6.55 -0.33 -2.34 115.95 121.98 1cfe h TRP 71 Ca 0.01 -0.08 0.00 0.00 0.95 0.00 0.00 58.89 59.78 1cfe h TRP 71 Cb 1.08 -0.10 0.00 0.00 -0.86 0.00 0.00 29.16 29.28 1cfe h TRP 71 CO 0.05 0.58 -0.10 0.28 -1.05 0.00 0.00 178.44 178.21 1cfe h VAL 72 N 0.33 0.00 0.00 1.49 2.07 -0.19 -1.44 116.25 118.52 1cfe h VAL 72 Ca 0.05 -0.59 0.00 0.00 0.82 0.00 0.00 66.70 66.98 1cfe h VAL 72 Cb 0.60 1.53 0.00 0.00 -1.52 0.00 0.00 31.29 31.90 1cfe h VAL 72 CO 0.04 0.00 0.07 0.28 0.02 0.00 0.00 177.57 177.98 1cfe h SER 73 N 0.00 0.00 0.00 0.57 0.02 -0.19 0.11 113.55 114.06 1cfe h SER 73 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1cfe h SER 73 Cb 0.79 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.33 1cfe h SER 73 CO 0.00 0.00 0.01 -0.62 -1.14 0.00 0.00 176.83 175.08 1cfe n GLU 74 N -2.29 0.00 0.00 3.45 -0.58 -1.23 -4.62 120.64 115.37 1cfe n GLU 74 Ca -0.01 0.34 0.00 0.00 -0.42 0.00 0.00 57.16 57.06 1cfe n GLU 74 Cb 0.11 -1.51 0.00 0.00 -0.57 0.00 0.00 31.44 29.47 1cfe n GLU 74 CO 0.00 0.00 0.00 -2.13 -0.48 0.00 0.00 177.13 174.52 1cfe n ARG 75 N -1.34 0.00 0.23 3.49 0.63 0.37 -1.39 116.66 118.66 1cfe n ARG 75 Ca 0.00 0.65 0.08 0.00 -0.92 0.00 0.00 57.85 57.66 1cfe n ARG 75 Cb 0.01 -0.99 0.55 0.00 0.45 0.00 0.00 32.46 32.48 1cfe n ARG 75 CO 0.00 0.00 0.00 -1.00 -2.51 0.00 0.00 177.63 174.12 1cfe h PRO 76 N 0.00 0.00 0.00 -0.14 0.13 -1.88 -1.45 132.00 128.66 1cfe h PRO 76 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1cfe h PRO 76 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 1cfe h PRO 76 CO 0.00 0.21 -0.35 0.66 -0.23 0.00 0.00 178.00 178.28 1cfe h SER 77 N 0.00 0.00 -3.68 1.44 4.64 -1.41 -3.41 113.55 111.13 1cfe h SER 77 Ca -0.00 -0.07 -0.50 0.00 -0.47 0.00 0.00 61.79 60.75 1cfe h SER 77 Cb 0.43 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.49 1cfe h SER 77 CO 0.03 0.03 0.17 -0.72 -0.87 0.00 0.00 176.83 175.47 1cfe s TYR 78 N -3.19 3.61 -0.35 4.77 -0.85 -0.55 -0.28 117.35 120.52 1cfe s TYR 78 Ca 0.07 1.47 0.04 0.00 -0.52 0.00 0.00 57.07 58.12 1cfe s TYR 78 Cb 0.11 -2.69 0.16 0.00 0.38 0.00 0.00 41.96 39.91 1cfe s TYR 78 CO 0.68 0.26 0.43 1.21 -1.52 0.00 0.00 175.55 176.61 1cfe s ASN 79 N -1.74 0.45 0.49 -0.18 2.47 -0.64 -4.85 114.94 110.95 1cfe s ASN 79 Ca 0.47 -1.02 0.14 0.00 0.42 0.00 0.00 52.86 52.87 1cfe s ASN 79 Cb -0.16 0.98 1.18 0.00 -1.45 0.00 0.00 41.25 41.80 1cfe s ASN 79 CO 0.21 -0.28 2.12 0.22 -3.72 0.00 0.00 177.10 175.65 1cfe h TYR 80 N 7.45 0.13 -0.69 0.43 3.20 -1.94 -0.78 116.97 124.75 1cfe h TYR 80 Ca -0.00 0.00 0.03 0.00 3.14 0.00 0.00 58.73 61.90 1cfe h TYR 80 Cb 1.10 -0.04 -0.04 0.00 1.54 0.00 0.00 36.73 39.29 1cfe h TYR 80 CO 0.27 0.08 0.46 0.00 -1.64 0.00 0.00 178.16 177.33 1cfe h ALA 81 N 1.93 1.59 -0.07 1.82 0.00 -1.93 0.64 119.26 123.23 1cfe h ALA 81 Ca 0.05 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 1cfe h ALA 81 Cb 0.03 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 1cfe h ALA 81 CO -0.01 0.35 -0.19 0.25 0.00 0.00 0.00 179.25 179.65 1cfe n THR 82 N -4.45 2.13 -4.20 0.00 -2.24 -1.23 -5.01 114.28 99.27 1cfe n THR 82 Ca 0.08 -2.64 -0.39 0.00 -2.27 0.00 0.00 64.05 58.84 1cfe n THR 82 Cb 0.11 -0.25 -0.04 0.00 -2.10 0.00 0.00 70.33 68.05 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 -1.19 -1.47 -3.83 3.42 2.85 0.22 -4.94 115.26 110.32 1cfe n ASN 83 Ca 0.20 -1.29 -0.09 0.00 -0.11 0.00 0.00 54.58 53.29 1cfe n ASN 83 Cb 0.73 -1.64 -0.04 0.00 1.24 0.00 0.00 39.78 40.08 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 -7.42 1.53 -0.22 1.20 -2.07 -0.33 -4.99 119.66 107.37 1cfe s GLN 84 Ca 0.24 -0.99 -0.12 0.00 -1.82 0.00 0.00 55.36 52.67 1cfe s GLN 84 Cb -0.13 0.53 -0.05 0.00 -1.09 0.00 0.00 33.01 32.28 1cfe s GLN 84 CO 0.99 -0.66 0.22 0.00 -1.32 0.00 0.00 175.29 174.51 1cfe s VAL 86 N 0.99 4.31 -1.05 0.00 1.01 0.61 -3.60 120.40 122.67 1cfe s VAL 86 Ca 0.11 1.57 0.00 0.00 0.00 0.00 0.00 61.98 63.66 1cfe s VAL 86 Cb -0.13 -4.04 0.00 0.00 0.00 0.00 0.00 36.38 32.20 1cfe s VAL 86 CO 0.04 -0.17 0.00 0.61 0.00 0.00 0.00 175.10 175.58 1cfe n GLY 87 N 3.65 0.03 5.00 4.51 0.00 -1.26 -4.15 105.19 112.97 1cfe n GLY 87 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 1cfe n GLY 87 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1cfe n GLY 88 N -0.59 1.14 3.81 -0.02 0.00 -1.24 -4.91 105.19 103.39 1cfe n GLY 88 Ca -0.13 -0.02 -0.29 0.00 0.00 0.00 0.00 46.02 45.58 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 0.00 1.83 -1.68 1.61 1.02 -1.26 -3.85 119.74 117.41 1cfe s LYS 89 Ca 0.00 0.48 -0.15 0.00 0.02 0.00 0.00 55.97 56.32 1cfe s LYS 89 Cb 0.00 -1.90 0.15 0.00 -0.52 0.00 0.00 37.83 35.55 1cfe s LYS 89 CO 0.00 -1.76 0.36 1.63 -0.92 0.00 0.00 175.35 174.67 1cfe n LYS 90 N -3.50 -0.80 0.00 1.68 5.02 -1.26 -4.72 118.16 114.57 1cfe n LYS 90 Ca 0.07 0.12 0.00 0.00 -2.02 0.00 0.00 58.31 56.47 1cfe n LYS 90 Cb 0.58 -4.09 0.00 0.00 -0.02 0.00 0.00 35.03 31.50 1cfe n LYS 90 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1cfe n ARG 92 N -2.48 3.58 0.03 0.00 0.00 -1.26 -2.72 116.66 113.81 1cfe n ARG 92 Ca 0.00 -2.82 0.00 0.00 -0.00 0.00 0.00 57.85 55.03 1cfe n ARG 92 Cb 0.27 -2.95 0.00 0.00 0.00 0.00 0.00 32.46 29.78 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 4.10 -0.79 -0.32 -0.14 8.25 -1.26 -4.84 115.22 120.22 1cfe n HIS 93 Ca 0.60 0.12 0.17 0.00 -0.26 0.00 0.00 57.72 58.35 1cfe n HIS 93 Cb 0.31 0.60 0.37 0.00 1.12 0.00 0.00 29.99 32.39 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 0.69 -0.66 4.41 5.03 -1.05 -2.01 116.97 123.37 1cfe h TYR 94 Ca 0.00 0.04 0.13 0.00 2.58 0.00 0.00 58.73 61.48 1cfe h TYR 94 Cb 0.00 -0.15 -0.13 0.00 1.55 0.00 0.00 36.73 38.00 1cfe h TYR 94 CO 0.00 -0.14 -0.26 1.79 -1.32 0.00 0.00 178.16 178.23 1cfe h THR 95 N 0.33 0.22 -0.31 1.81 1.35 -1.87 0.20 112.91 114.64 1cfe h THR 95 Ca 0.63 0.00 -0.04 0.00 -0.55 0.00 0.00 66.41 66.45 1cfe h THR 95 Cb 1.31 0.22 -0.01 0.00 -1.73 0.00 0.00 68.15 67.94 1cfe h THR 95 CO -0.59 0.00 0.03 -0.61 -0.25 0.00 0.00 175.52 174.10 1cfe h GLN 96 N -0.08 0.52 -0.88 4.72 5.75 -1.70 0.37 115.11 123.81 1cfe h GLN 96 Ca 0.29 -0.15 0.15 0.00 -0.15 0.00 0.00 58.65 58.79 1cfe h GLN 96 Cb 0.54 -0.06 -0.07 0.00 1.07 0.00 0.00 27.48 28.97 1cfe h GLN 96 CO -0.72 0.64 0.57 0.28 -2.65 0.00 0.00 178.83 176.95 1cfe h VAL 97 N 0.34 0.82 0.20 2.39 2.07 -0.79 -1.42 116.25 119.86 1cfe h VAL 97 Ca 0.09 -0.23 -0.34 0.00 0.82 0.00 0.00 66.70 67.04 1cfe h VAL 97 Cb 0.38 0.11 0.02 0.00 -1.52 0.00 0.00 31.29 30.28 1cfe h VAL 97 CO 0.01 0.12 -1.65 1.62 0.02 0.00 0.00 177.57 177.69 1cfe h VAL 98 N 0.66 1.07 0.00 2.57 3.04 -0.55 -3.42 116.25 119.61 1cfe h VAL 98 Ca 0.45 -2.60 -0.38 0.00 -1.01 0.00 0.00 66.70 63.15 1cfe h VAL 98 Cb 0.76 2.85 -0.06 0.00 -2.01 0.00 0.00 31.29 32.83 1cfe h VAL 98 CO -0.20 0.84 1.20 1.87 -1.01 0.00 0.00 177.57 180.27 1cfe n TRP 99 N -3.61 0.46 -0.27 3.17 -0.00 0.13 -4.76 117.44 112.56 1cfe n TRP 99 Ca -0.21 0.31 0.08 0.00 -0.00 0.00 0.00 57.50 57.68 1cfe n TRP 99 Cb 1.08 -1.67 0.21 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 8.15 0.21 0.00 5.87 2.43 -0.84 0.16 114.38 130.37 1cfe h ARG 100 Ca -0.04 -0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 59.09 1cfe h ARG 100 Cb 0.94 -0.05 -0.00 0.00 -0.42 0.00 0.00 29.97 30.44 1cfe h ARG 100 CO 0.95 0.14 -0.14 -0.91 -1.51 0.00 0.00 179.97 178.50 1cfe h ASN 101 N 0.22 0.00 -3.41 -3.80 4.21 -1.84 -3.42 115.58 107.53 1cfe h ASN 101 Ca 0.46 0.00 -0.55 0.00 1.21 0.00 0.00 56.30 57.42 1cfe h ASN 101 Cb 0.83 0.00 -0.04 0.00 -1.12 0.00 0.00 38.32 38.00 1cfe h ASN 101 CO -0.59 0.14 0.23 -0.44 -1.29 0.00 0.00 177.43 175.48 1cfe s SER 102 N -6.35 7.22 0.00 5.81 0.01 0.57 -4.30 113.70 116.65 1cfe s SER 102 Ca -0.03 1.47 0.00 0.00 1.31 0.00 0.00 55.95 58.70 1cfe s SER 102 Cb 0.14 -2.50 0.00 0.00 0.21 0.00 0.00 66.02 63.87 1cfe s SER 102 CO 0.61 -0.13 0.00 1.33 0.41 0.00 0.00 173.24 175.46 1cfe n VAL 103 N 3.49 0.00 -3.33 3.43 0.24 -0.85 -4.87 118.33 116.45 1cfe n VAL 103 Ca 0.01 0.00 -0.38 0.00 -2.04 0.00 0.00 64.34 61.93 1cfe n VAL 103 Cb 0.51 -0.11 -0.06 0.00 -1.47 0.00 0.00 33.84 32.71 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 -1.16 4.32 -0.04 7.34 1.81 -0.43 -0.87 118.95 129.92 1cfe s ARG 104 Ca 0.00 0.41 0.02 0.00 -1.72 0.00 0.00 55.73 54.44 1cfe s ARG 104 Cb 0.00 -3.45 0.01 0.00 -0.45 0.00 0.00 34.95 31.06 1cfe s ARG 104 CO 0.00 0.13 -0.10 -1.17 -0.68 0.00 0.00 175.30 173.48 1cfe s LEU 105 N 0.72 1.68 -0.01 2.53 2.96 -0.39 -1.21 118.68 124.96 1cfe s LEU 105 Ca 0.25 -0.23 0.00 0.00 -0.22 0.00 0.00 54.13 53.93 1cfe s LEU 105 Cb -0.15 -0.67 0.01 0.00 0.50 0.00 0.00 46.19 45.89 1cfe s LEU 105 CO 0.10 0.05 0.00 -0.83 -1.32 0.00 0.00 176.35 174.35 1cfe s GLY 106 N 0.44 0.09 0.03 7.98 0.00 -0.49 0.14 107.32 115.51 1cfe s GLY 106 Ca -0.08 0.09 0.03 0.00 0.00 0.00 0.00 44.72 44.76 1cfe s GLY 106 CO 0.02 0.28 -0.09 0.00 0.00 0.00 0.00 173.10 173.31 1cfe n GLY 108 N 1.97 3.40 3.64 0.00 0.00 0.32 -4.76 105.19 109.77 1cfe n GLY 108 Ca -0.19 -2.23 -0.06 0.00 0.00 0.00 0.00 46.02 43.54 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 -3.65 0.55 -0.10 1.61 3.52 -1.26 -2.41 118.95 117.20 1cfe s ARG 109 Ca 0.11 0.85 -0.11 0.00 -0.13 0.00 0.00 55.73 56.45 1cfe s ARG 109 Cb 0.01 0.16 0.03 0.00 -1.56 0.00 0.00 34.95 33.58 1cfe s ARG 109 CO 0.08 -0.10 0.30 0.00 -0.81 0.00 0.00 175.30 174.77 1cfe s ALA 110 N 1.12 -0.74 -0.22 6.12 0.00 -0.28 -4.84 121.76 122.91 1cfe s ALA 110 Ca -0.06 0.79 -0.24 0.00 0.00 0.00 0.00 51.96 52.45 1cfe s ALA 110 Cb -0.04 -0.44 -0.01 0.00 0.00 0.00 0.00 23.12 22.62 1cfe s ALA 110 CO -0.13 -0.15 0.80 0.50 0.00 0.00 0.00 175.76 176.77 1cfe s ARG 111 N 0.01 4.21 0.62 0.00 3.52 -1.26 -0.49 118.95 125.55 1cfe s ARG 111 Ca -0.01 0.90 -0.18 0.00 -0.13 0.00 0.00 55.73 56.31 1cfe s ARG 111 Cb -0.02 -3.62 -0.02 0.00 -1.56 0.00 0.00 34.95 29.72 1cfe s ARG 111 CO 0.01 -0.44 1.23 0.00 -0.81 0.00 0.00 175.30 175.29 1cfe h ASN 113 N 0.70 0.71 -0.06 0.00 -1.24 -1.25 -0.36 115.58 114.08 1cfe h ASN 113 Ca -0.50 0.04 -0.04 0.00 0.71 0.00 0.00 56.30 56.51 1cfe h ASN 113 Cb 1.31 -0.10 -0.01 0.00 0.73 0.00 0.00 38.32 40.25 1cfe h ASN 113 CO 0.54 0.36 -0.07 -0.55 -1.29 0.00 0.00 177.43 176.43 1cfe h ASN 114 N 0.75 0.27 0.00 1.15 -1.07 -1.87 -3.46 115.58 111.35 1cfe h ASN 114 Ca 0.46 -0.05 0.00 0.00 0.07 0.00 0.00 56.30 56.78 1cfe h ASN 114 Cb 0.67 -0.07 0.00 0.00 -2.07 0.00 0.00 38.32 36.85 1cfe h ASN 114 CO -0.22 0.38 0.00 0.61 0.07 0.00 0.00 177.43 178.27 1cfe n GLY 115 N -0.97 1.27 3.85 9.14 0.00 -0.14 -5.13 105.19 113.20 1cfe n GLY 115 Ca -0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 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 3.45 -0.01 1.61 0.51 -1.26 -4.33 118.94 116.91 1cfe s TRP 116 Ca 0.00 1.42 -0.22 0.00 -2.12 0.00 0.00 56.10 55.18 1cfe s TRP 116 Cb 0.00 -2.75 -0.05 0.00 -0.81 0.00 0.00 33.47 29.86 1cfe s TRP 116 CO 0.00 -0.32 0.63 -1.58 -0.51 0.00 0.00 176.95 175.17 1cfe s TRP 117 N -2.57 3.67 -0.13 -1.98 0.52 0.52 0.08 118.94 119.07 1cfe s TRP 117 Ca 0.58 1.24 -0.05 0.00 0.02 0.00 0.00 56.10 57.89 1cfe s TRP 117 Cb -0.10 -2.67 -0.04 0.00 -1.15 0.00 0.00 33.47 29.52 1cfe s TRP 117 CO 0.30 0.30 0.06 0.12 0.02 0.00 0.00 176.95 177.75 1cfe s PHE 118 N -0.01 3.32 0.03 -1.98 5.36 0.35 -0.70 117.98 124.35 1cfe s PHE 118 Ca 0.33 0.26 0.08 0.00 -0.96 0.00 0.00 56.93 56.64 1cfe s PHE 118 Cb -0.18 -1.92 -0.03 0.00 -0.34 0.00 0.00 43.02 40.55 1cfe s PHE 118 CO 0.18 0.45 -0.25 0.42 -1.46 0.00 0.00 175.22 174.57 1cfe s ILE 119 N -0.55 1.99 0.03 3.12 1.09 0.42 -1.13 121.20 126.16 1cfe s ILE 119 Ca 0.11 -1.26 0.06 0.00 -1.10 0.00 0.00 60.65 58.46 1cfe s ILE 119 Cb -0.12 -1.69 -0.02 0.00 -1.06 0.00 0.00 42.46 39.57 1cfe s ILE 119 CO 0.02 0.38 -0.19 -0.94 -0.10 0.00 0.00 174.94 174.12 1cfe s SER 120 N -1.04 2.24 -0.06 3.58 1.04 -1.01 -0.65 113.70 117.80 1cfe s SER 120 Ca 0.10 -0.46 0.04 0.00 0.48 0.00 0.00 55.95 56.11 1cfe s SER 120 Cb -0.10 -0.20 0.00 0.00 0.10 0.00 0.00 66.02 65.83 1cfe s SER 120 CO 0.01 0.16 -0.17 0.00 0.98 0.00 0.00 173.24 174.21 1cfe s ASN 122 N 0.24 3.49 0.03 0.00 3.84 0.00 -1.33 114.94 121.20 1cfe s ASN 122 Ca -0.09 -0.87 0.02 0.00 0.21 0.00 0.00 52.86 52.13 1cfe s ASN 122 Cb -0.14 -0.28 -0.02 0.00 -0.55 0.00 0.00 41.25 40.26 1cfe s ASN 122 CO 0.04 0.11 -0.07 -0.31 -2.79 0.00 0.00 177.10 174.08 1cfe s TYR 123 N -1.76 0.59 -0.04 0.43 1.51 -1.26 -1.40 117.35 115.42 1cfe s TYR 123 Ca 0.22 -0.37 0.06 0.00 -1.01 0.00 0.00 57.07 55.97 1cfe s TYR 123 Cb -0.08 -0.36 -0.01 0.00 -0.11 0.00 0.00 41.96 41.40 1cfe s TYR 123 CO 0.11 -0.06 -0.23 -0.51 -1.11 0.00 0.00 175.55 173.74 1cfe s ASP 124 N -1.11 2.79 1.33 2.29 1.01 -0.35 -3.97 116.67 118.66 1cfe s ASP 124 Ca -0.06 -0.45 -0.19 0.00 0.71 0.00 0.00 52.55 52.55 1cfe s ASP 124 Cb -0.07 -0.59 0.32 0.00 1.01 0.00 0.00 42.92 43.59 1cfe s ASP 124 CO 0.00 0.25 0.80 -0.81 0.21 0.00 0.00 175.17 175.62 1cfe n PRO 125 N 2.80 -3.73 -1.81 8.23 -0.04 -1.26 -1.32 135.00 137.88 1cfe n PRO 125 Ca -0.17 -1.09 -0.36 0.00 -0.04 0.00 0.00 63.50 61.84 1cfe n PRO 125 Cb 0.52 -1.93 0.06 0.00 -0.04 0.00 0.00 33.50 32.11 1cfe n PRO 125 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1cfe s VAL 126 N -2.20 2.28 -0.08 0.52 -7.23 -1.25 -4.68 120.40 107.75 1cfe s VAL 126 Ca 0.64 0.17 -0.17 0.00 -1.81 0.00 0.00 61.98 60.81 1cfe s VAL 126 Cb -0.16 -3.03 0.04 0.00 0.56 0.00 0.00 36.38 33.79 1cfe s VAL 126 CO 0.58 -0.04 0.41 -0.83 -0.31 0.00 0.00 175.10 174.91 1cfe s GLY 127 N -1.53 -0.28 0.00 2.32 0.00 -0.41 -4.70 107.32 102.72 1cfe s GLY 127 Ca 0.80 0.84 0.00 0.00 0.00 0.00 0.00 44.72 46.36 1cfe s GLY 127 CO 0.38 0.63 0.00 0.70 0.00 0.00 0.00 173.10 174.81 1cfe n ASN 128 N 1.91 -2.04 -4.89 1.64 5.03 -1.26 -3.78 115.26 111.88 1cfe n ASN 128 Ca -0.18 0.00 -0.21 0.00 0.87 0.00 0.00 54.58 55.06 1cfe n ASN 128 Cb 0.57 -0.34 0.07 0.00 -1.02 0.00 0.00 39.78 39.06 1cfe n ASN 128 CO 0.00 0.00 0.00 0.86 -1.83 0.00 0.00 177.26 176.29 1cfe s TRP 129 N -2.00 1.63 0.82 3.10 -0.11 -1.26 -5.02 118.94 116.10 1cfe s TRP 129 Ca 0.00 -0.51 -0.12 0.00 1.22 0.00 0.00 56.10 56.69 1cfe s TRP 129 Cb 0.00 -2.54 0.08 0.00 -1.50 0.00 0.00 33.47 29.51 1cfe s TRP 129 CO 0.00 -1.30 1.11 -1.50 -4.62 0.00 0.00 176.95 170.64 1cfe s ILE 130 N -2.83 2.76 -1.49 5.86 2.07 -1.26 -4.46 121.20 121.85 1cfe s ILE 130 Ca 0.63 0.25 -0.02 0.00 -1.41 0.00 0.00 60.65 60.10 1cfe s ILE 130 Cb -0.06 -3.05 0.01 0.00 0.13 0.00 0.00 42.46 39.49 1cfe s ILE 130 CO 0.41 -0.32 0.20 0.61 -1.91 0.00 0.00 174.94 173.92 1cfe n GLY 131 N -2.34 -0.50 3.32 1.50 0.00 -1.26 -4.94 105.19 100.96 1cfe n GLY 131 Ca 0.07 0.04 -0.10 0.00 0.00 0.00 0.00 46.02 46.03 1cfe n GLY 131 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1cfe s GLN 132 N -5.30 1.15 -0.05 1.61 -0.21 -1.26 -5.18 119.66 110.42 1cfe s GLN 132 Ca 0.11 -1.24 0.05 0.00 0.02 0.00 0.00 55.36 54.30 1cfe s GLN 132 Cb -0.05 0.36 -0.02 0.00 1.00 0.00 0.00 33.01 34.29 1cfe s GLN 132 CO 0.14 -0.41 -0.20 0.50 -2.12 0.00 0.00 175.29 173.21 1cfe s ARG 133 N -3.99 2.44 0.04 2.91 3.52 -1.26 -4.99 118.95 117.62 1cfe s ARG 133 Ca 0.20 -0.80 -0.19 0.00 -0.13 0.00 0.00 55.73 54.80 1cfe s ARG 133 Cb 0.04 -2.25 -0.15 0.00 -1.56 0.00 0.00 34.95 31.03 1cfe s ARG 133 CO 0.01 0.54 1.32 -1.00 -0.81 0.00 0.00 175.30 175.37 1cfe h PRO 134 N 5.59 0.42 0.00 5.12 0.13 -1.95 -3.29 132.00 138.02 1cfe h PRO 134 Ca -0.42 -0.24 0.00 0.00 -0.87 0.00 0.00 66.00 64.47 1cfe h PRO 134 Cb 1.15 0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.30 1cfe h PRO 134 CO 0.49 0.83 0.00 2.48 -0.23 0.00 0.00 178.00 181.57