#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 -0.77 -3.65 1.08 0.23 -1.26 -1.38 115.26 109.51 1cfe n ASN 2 Ca 0.00 -2.17 -0.27 0.00 -0.53 0.00 0.00 54.58 51.62 1cfe n ASN 2 Cb 0.00 0.41 0.19 0.00 -2.08 0.00 0.00 39.78 38.31 1cfe n ASN 2 CO 0.00 0.00 0.00 -1.54 -0.93 0.00 0.00 177.26 174.79 1cfe n SER 3 N -1.28 -0.41 -0.01 0.53 3.41 -1.26 -4.95 113.62 109.64 1cfe n SER 3 Ca -0.13 -1.35 -0.13 0.00 -0.26 0.00 0.00 58.87 57.00 1cfe n SER 3 Cb 0.86 -0.91 -0.09 0.00 -0.26 0.00 0.00 64.21 63.80 1cfe n SER 3 CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 175.04 176.43 1cfe h PRO 4 N 0.00 0.03 0.00 4.33 0.13 -2.00 -3.22 132.00 131.27 1cfe h PRO 4 Ca -0.38 -0.01 -0.03 0.00 -0.87 0.00 0.00 66.00 64.70 1cfe h PRO 4 Cb 1.08 -0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.21 1cfe h PRO 4 CO 0.27 0.43 -0.16 0.37 -0.23 0.00 0.00 178.00 178.68 1cfe h GLN 5 N -0.37 0.00 0.18 0.86 4.15 -1.97 0.05 115.11 118.01 1cfe h GLN 5 Ca 0.00 0.00 0.01 0.00 0.77 0.00 0.00 58.65 59.44 1cfe h GLN 5 Cb 0.42 0.00 -0.04 0.00 0.21 0.00 0.00 27.48 28.08 1cfe h GLN 5 CO 0.00 0.16 -0.35 -0.44 -1.93 0.00 0.00 178.83 176.27 1cfe h ASP 6 N 0.00 -1.01 0.55 -0.69 3.32 -1.92 0.27 116.42 116.93 1cfe h ASP 6 Ca -0.00 0.11 -0.02 0.00 0.02 0.00 0.00 57.03 57.13 1cfe h ASP 6 Cb 0.42 0.37 0.00 0.00 0.22 0.00 0.00 39.33 40.35 1cfe h ASP 6 CO 0.02 -0.45 -0.29 1.88 -1.72 0.00 0.00 179.24 178.68 1cfe h TYR 7 N -0.62 -0.76 -0.66 4.55 -1.99 -1.38 -3.13 116.97 112.99 1cfe h TYR 7 Ca 0.02 -0.01 0.06 0.00 2.00 0.00 0.00 58.73 60.79 1cfe h TYR 7 Cb 0.62 0.26 -0.04 0.00 2.00 0.00 0.00 36.73 39.57 1cfe h TYR 7 CO -0.29 -0.46 0.43 -0.07 -0.00 0.00 0.00 178.16 177.78 1cfe h LEU 8 N -0.77 0.60 0.38 3.88 3.38 -0.87 -0.35 115.31 121.55 1cfe h LEU 8 Ca -0.07 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.89 1cfe h LEU 8 Cb 0.61 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.22 1cfe h LEU 8 CO 0.10 0.39 -0.31 0.00 0.09 0.00 0.00 178.44 178.71 1cfe h ALA 9 N 1.64 -0.71 -0.76 1.53 0.00 -0.43 0.15 119.26 120.68 1cfe h ALA 9 Ca 0.28 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 1cfe h ALA 9 Cb 0.24 0.43 -0.04 0.00 0.00 0.00 0.00 17.79 18.42 1cfe h ALA 9 CO -0.09 -0.93 0.38 0.28 0.00 0.00 0.00 179.25 178.90 1cfe h VAL 10 N -0.70 1.24 -0.18 0.00 2.07 -1.33 -0.94 116.25 116.40 1cfe h VAL 10 Ca -0.03 -0.64 0.03 0.00 0.82 0.00 0.00 66.70 66.87 1cfe h VAL 10 Cb 0.61 0.26 -0.03 0.00 -1.52 0.00 0.00 31.29 30.62 1cfe h VAL 10 CO -0.02 0.28 0.01 0.45 0.02 0.00 0.00 177.57 178.31 1cfe h HIS 11 N 1.06 0.01 -0.87 1.57 -0.00 -0.75 0.69 115.15 116.86 1cfe h HIS 11 Ca 0.26 0.01 -0.00 0.00 -0.00 0.00 0.00 60.37 60.65 1cfe h HIS 11 Cb 0.09 0.02 -0.04 0.00 -0.00 0.00 0.00 27.41 27.48 1cfe h HIS 11 CO 0.01 -0.01 0.54 -0.91 -0.00 0.00 0.00 177.93 177.56 1cfe h ASN 12 N 0.07 1.03 0.63 2.45 2.35 -0.38 0.12 115.58 121.85 1cfe h ASN 12 Ca 0.08 -0.05 -0.02 0.00 -0.55 0.00 0.00 56.30 55.76 1cfe h ASN 12 Cb 0.09 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 38.20 1cfe h ASN 12 CO -0.13 0.78 -0.43 -0.78 -1.65 0.00 0.00 177.43 175.22 1cfe h ASP 13 N 1.19 -1.10 -0.94 5.81 1.82 -0.69 0.22 116.42 122.74 1cfe h ASP 13 Ca 0.32 0.07 0.14 0.00 -0.39 0.00 0.00 57.03 57.17 1cfe h ASP 13 Cb -0.08 0.33 -0.08 0.00 0.68 0.00 0.00 39.33 40.19 1cfe h ASP 13 CO -0.06 -0.64 0.60 0.00 -1.61 0.00 0.00 179.24 177.52 1cfe h ALA 14 N -0.78 1.74 -0.04 -0.78 0.00 -0.54 0.73 119.26 119.59 1cfe h ALA 14 Ca -0.08 0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.77 1cfe h ALA 14 Cb 0.83 -0.14 0.01 0.00 0.00 0.00 0.00 17.79 18.49 1cfe h ALA 14 CO 0.05 0.00 -0.32 0.00 0.00 0.00 0.00 179.25 178.98 1cfe h ARG 15 N 0.78 0.28 -0.88 0.00 3.08 -0.63 -3.28 114.38 113.74 1cfe h ARG 15 Ca 0.48 -0.26 0.14 0.00 0.07 0.00 0.00 59.98 60.41 1cfe h ARG 15 Cb 0.69 0.06 -0.09 0.00 0.08 0.00 0.00 29.97 30.71 1cfe h ARG 15 CO -0.24 0.93 0.49 0.00 -1.07 0.00 0.00 179.97 180.07 1cfe h ALA 16 N 0.36 1.33 -1.29 0.04 0.00 0.30 0.10 119.26 120.10 1cfe h ALA 16 Ca -0.03 0.07 0.38 0.00 0.00 0.00 0.00 54.91 55.33 1cfe h ALA 16 Cb 1.01 -0.07 -0.09 0.00 0.00 0.00 0.00 17.79 18.64 1cfe h ALA 16 CO 0.07 -0.01 0.87 1.96 0.00 0.00 0.00 179.25 182.14 1cfe h GLN 17 N 0.72 0.13 0.00 0.00 7.50 -0.94 0.23 115.11 122.75 1cfe h GLN 17 Ca 0.47 -0.01 -0.00 0.00 0.50 0.00 0.00 58.65 59.61 1cfe h GLN 17 Cb 0.60 -0.03 -0.01 0.00 0.05 0.00 0.00 27.48 28.10 1cfe h GLN 17 CO -0.33 0.09 -0.12 1.33 -1.50 0.00 0.00 178.83 178.30 1cfe n VAL 18 N -4.44 1.76 -4.15 -0.54 0.24 0.14 -5.00 118.33 106.34 1cfe n VAL 18 Ca 0.32 -2.22 -0.33 0.00 -2.04 0.00 0.00 64.34 60.07 1cfe n VAL 18 Cb 1.30 -0.17 -0.03 0.00 -1.47 0.00 0.00 33.84 33.47 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 -1.26 -0.36 3.77 7.63 0.00 0.07 -4.95 105.19 110.10 1cfe n GLY 19 Ca 0.15 0.14 -0.39 0.00 0.00 0.00 0.00 46.02 45.92 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 -3.56 4.89 0.53 1.61 1.01 -0.00 -4.96 120.40 119.91 1cfe s VAL 20 Ca 0.47 1.21 -0.21 0.00 0.00 0.00 0.00 61.98 63.46 1cfe s VAL 20 Cb -0.26 -3.91 -0.07 0.00 0.00 0.00 0.00 36.38 32.14 1cfe s VAL 20 CO 0.92 0.45 0.93 0.61 0.00 0.00 0.00 175.10 178.01 1cfe n GLY 21 N 2.31 -0.42 1.40 4.51 0.00 -1.26 -4.37 105.19 107.35 1cfe n GLY 21 Ca -0.08 -0.04 -0.11 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.45 -0.92 -3.60 1.61 -0.04 -1.26 -4.83 135.00 125.51 1cfe n PRO 22 Ca 0.12 -0.73 -0.14 0.00 -0.04 0.00 0.00 63.50 62.71 1cfe n PRO 22 Cb 0.44 -0.54 -0.05 0.00 -0.04 0.00 0.00 33.50 33.31 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 -2.28 0.37 -4.65 0.54 0.00 -1.26 -4.88 117.12 104.96 1cfe n MET 23 Ca 0.06 -2.40 -0.29 0.00 0.00 0.00 0.00 57.70 55.06 1cfe n MET 23 Cb 0.22 2.05 -0.09 0.00 0.00 0.00 0.00 33.22 35.40 1cfe n MET 23 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 175.97 174.43 1cfe s SER 24 N -2.72 3.68 0.68 3.17 1.04 0.21 -5.04 113.70 114.72 1cfe s SER 24 Ca 0.28 -1.54 -0.07 0.00 0.48 0.00 0.00 55.95 55.10 1cfe s SER 24 Cb 0.01 0.17 0.05 0.00 0.10 0.00 0.00 66.02 66.35 1cfe s SER 24 CO 0.20 -0.71 1.00 0.86 0.98 0.00 0.00 173.24 175.57 1cfe s TRP 25 N -2.92 3.02 -0.03 5.02 -0.11 -1.26 -2.63 118.94 120.03 1cfe s TRP 25 Ca 0.21 0.55 -0.01 0.00 1.22 0.00 0.00 56.10 58.06 1cfe s TRP 25 Cb 0.05 -3.10 0.03 0.00 -1.50 0.00 0.00 33.47 28.96 1cfe s TRP 25 CO 0.11 -1.28 0.05 0.34 -4.62 0.00 0.00 176.95 171.55 1cfe s ASP 26 N -4.46 0.30 0.22 5.86 2.15 0.14 -4.36 116.67 116.52 1cfe s ASP 26 Ca 0.59 0.08 -0.07 0.00 0.43 0.00 0.00 52.55 53.58 1cfe s ASP 26 Cb -0.11 -0.05 0.19 0.00 -0.30 0.00 0.00 42.92 42.66 1cfe s ASP 26 CO 0.45 -0.16 1.77 0.00 -0.17 0.00 0.00 175.17 177.06 1cfe h ALA 27 N 7.57 1.05 -0.01 3.66 0.00 -1.99 0.06 119.26 129.60 1cfe h ALA 27 Ca -0.37 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.31 1cfe h ALA 27 Cb 1.12 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.63 1cfe h ALA 27 CO 0.39 0.65 -0.04 -0.91 0.00 0.00 0.00 179.25 179.34 1cfe h ASN 28 N 1.08 0.05 -0.86 0.00 4.21 -1.96 0.15 115.58 118.25 1cfe h ASN 28 Ca 0.24 -0.69 0.14 0.00 1.21 0.00 0.00 56.30 57.20 1cfe h ASN 28 Cb 0.28 -0.01 -0.09 0.00 -1.12 0.00 0.00 38.32 37.37 1cfe h ASN 28 CO -0.01 0.73 0.46 -0.07 -1.29 0.00 0.00 177.43 177.25 1cfe h LEU 29 N -0.63 0.57 -0.39 1.61 3.38 -1.90 0.34 115.31 118.30 1cfe h LEU 29 Ca -0.00 0.08 -0.03 0.00 0.09 0.00 0.00 57.88 58.02 1cfe h LEU 29 Cb 0.73 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.45 1cfe h LEU 29 CO 0.01 0.25 0.12 0.00 0.09 0.00 0.00 178.44 178.92 1cfe h ALA 30 N 1.55 0.51 -0.44 1.53 0.00 -0.74 0.28 119.26 121.95 1cfe h ALA 30 Ca 0.46 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 55.20 1cfe h ALA 30 Cb 0.62 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 1cfe h ALA 30 CO -0.35 0.15 0.23 0.66 0.00 0.00 0.00 179.25 179.95 1cfe h SER 31 N 0.48 0.55 -0.32 0.00 4.64 -0.12 0.58 113.55 119.36 1cfe h SER 31 Ca 0.13 -0.10 -0.07 0.00 -0.47 0.00 0.00 61.79 61.27 1cfe h SER 31 Cb 0.25 -0.14 -0.01 0.00 -0.31 0.00 0.00 62.40 62.19 1cfe h SER 31 CO -0.00 0.49 -0.09 -0.09 -0.87 0.00 0.00 176.83 176.26 1cfe h ARG 32 N 0.57 0.63 -0.59 4.77 1.12 -0.79 -1.21 114.38 118.88 1cfe h ARG 32 Ca 0.15 -0.25 -0.05 0.00 -1.11 0.00 0.00 59.98 58.72 1cfe h ARG 32 Cb 0.06 -0.03 -0.02 0.00 -0.01 0.00 0.00 29.97 29.97 1cfe h ARG 32 CO -0.02 0.82 0.16 0.00 -3.11 0.00 0.00 179.97 177.82 1cfe h ALA 33 N 0.80 0.77 -0.28 2.80 0.00 -0.26 0.27 119.26 123.36 1cfe h ALA 33 Ca 0.08 -0.21 0.04 0.00 0.00 0.00 0.00 54.91 54.82 1cfe h ALA 33 Cb 0.59 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 18.11 1cfe h ALA 33 CO 0.03 0.46 0.04 0.37 0.00 0.00 0.00 179.25 180.15 1cfe h GLN 34 N 0.84 0.13 -0.82 0.00 5.75 -0.71 0.13 115.11 120.43 1cfe h GLN 34 Ca 0.19 -0.01 0.09 0.00 -0.15 0.00 0.00 58.65 58.77 1cfe h GLN 34 Cb 0.32 -0.03 -0.07 0.00 1.07 0.00 0.00 27.48 28.77 1cfe h GLN 34 CO -0.00 0.09 0.47 -0.91 -2.65 0.00 0.00 178.83 175.83 1cfe h ASN 35 N 0.14 0.68 0.08 -0.69 2.35 -0.55 0.17 115.58 117.75 1cfe h ASN 35 Ca 0.13 0.05 -0.00 0.00 -0.55 0.00 0.00 56.30 55.92 1cfe h ASN 35 Cb 0.15 -0.09 0.00 0.00 0.05 0.00 0.00 38.32 38.43 1cfe h ASN 35 CO -0.19 0.39 -0.04 0.22 -1.65 0.00 0.00 177.43 176.17 1cfe h TYR 36 N 0.80 -0.10 -0.38 1.19 3.20 0.63 0.09 116.97 122.40 1cfe h TYR 36 Ca 0.39 -0.00 -0.01 0.00 3.14 0.00 0.00 58.73 62.25 1cfe h TYR 36 Cb 0.35 0.03 -0.02 0.00 1.54 0.00 0.00 36.73 38.63 1cfe h TYR 36 CO -0.06 0.04 0.19 0.00 -1.64 0.00 0.00 178.16 176.69 1cfe h ALA 37 N 0.70 0.49 -0.06 1.82 0.00 -0.49 -1.09 119.26 120.62 1cfe h ALA 37 Ca -0.01 -0.10 0.03 0.00 0.00 0.00 0.00 54.91 54.83 1cfe h ALA 37 Cb 0.18 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.78 1cfe h ALA 37 CO 0.02 0.04 -0.19 -0.91 0.00 0.00 0.00 179.25 178.21 1cfe h ASN 38 N 0.48 -0.57 -0.72 0.00 4.21 -0.52 -1.78 115.58 116.67 1cfe h ASN 38 Ca 0.13 0.09 -0.04 0.00 1.21 0.00 0.00 56.30 57.69 1cfe h ASN 38 Cb 0.10 0.25 -0.03 0.00 -1.12 0.00 0.00 38.32 37.52 1cfe h ASN 38 CO -0.02 -0.25 0.31 0.77 -1.29 0.00 0.00 177.43 176.95 1cfe h SER 39 N -0.28 1.00 0.00 5.81 4.64 -0.83 -3.25 113.55 120.64 1cfe h SER 39 Ca 0.08 -0.14 -0.59 0.00 -0.47 0.00 0.00 61.79 60.67 1cfe h SER 39 Cb 0.38 -0.26 0.02 0.00 -0.31 0.00 0.00 62.40 62.23 1cfe h SER 39 CO -0.22 0.88 2.76 -1.14 -0.87 0.00 0.00 176.83 178.24 1cfe n ARG 40 N -4.29 2.22 -3.47 4.77 0.00 -0.43 -4.64 116.66 110.83 1cfe n ARG 40 Ca 0.07 -1.93 0.01 0.00 -0.00 0.00 0.00 57.85 55.99 1cfe n ARG 40 Cb 0.17 -2.84 -0.04 0.00 0.00 0.00 0.00 32.46 29.75 1cfe n ARG 40 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1cfe s ALA 41 N 3.82 -2.45 0.00 5.13 0.00 -1.23 -4.58 121.76 122.44 1cfe s ALA 41 Ca 0.52 2.12 0.00 0.00 0.00 0.00 0.00 51.96 54.60 1cfe s ALA 41 Cb 0.14 -1.98 0.00 0.00 0.00 0.00 0.00 23.12 21.28 1cfe s ALA 41 CO 0.01 -1.00 0.00 0.41 0.00 0.00 0.00 175.76 175.18 1cfe n GLY 42 N 5.23 3.10 0.28 0.00 0.00 -1.26 -4.79 105.19 107.75 1cfe n GLY 42 Ca -0.09 -0.47 -0.18 0.00 0.00 0.00 0.00 46.02 45.28 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 0.00 1.68 -1.22 1.61 -0.08 -1.26 -4.84 116.55 112.44 1cfe n ASP 43 Ca 0.00 0.29 0.00 0.00 -1.51 0.00 0.00 54.79 53.57 1cfe n ASP 43 Cb 0.00 -0.67 0.00 0.00 2.34 0.00 0.00 41.12 42.79 1cfe n ASP 43 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1cfe s ASN 45 N -2.33 6.87 -1.24 0.00 -0.87 -1.26 -5.00 114.94 111.11 1cfe s ASN 45 Ca 0.00 1.05 -0.21 0.00 -1.57 0.00 0.00 52.86 52.13 1cfe s ASN 45 Cb 0.00 -2.38 -0.02 0.00 -0.02 0.00 0.00 41.25 38.84 1cfe s ASN 45 CO 0.00 -0.13 1.84 -0.76 -2.57 0.00 0.00 177.10 175.49 1cfe s LEU 46 N 0.99 3.41 -0.17 0.60 1.43 -1.26 -4.74 118.68 118.95 1cfe s LEU 46 Ca 0.34 -2.02 -0.26 0.00 -1.03 0.00 0.00 54.13 51.16 1cfe s LEU 46 Cb -0.17 -2.59 -0.23 0.00 0.03 0.00 0.00 46.19 43.24 1cfe s LEU 46 CO 0.15 -2.22 0.54 0.40 0.23 0.00 0.00 176.35 175.45 1cfe h ILE 47 N 5.91 1.42 -6.44 -0.59 2.04 -2.02 -3.49 117.51 114.33 1cfe h ILE 47 Ca 0.32 -2.25 -0.38 0.00 1.00 0.00 0.00 64.86 63.55 1cfe h ILE 47 Cb 0.91 2.87 0.00 0.00 -0.74 0.00 0.00 36.82 39.86 1cfe h ILE 47 CO 1.33 0.48 -0.91 0.00 0.00 0.00 0.00 178.15 179.05 1cfe n HIS 48 N -4.55 -2.34 0.00 1.37 1.44 -1.26 -4.66 115.22 105.21 1cfe n HIS 48 Ca -0.18 0.95 0.00 0.00 -2.01 0.00 0.00 57.72 56.48 1cfe n HIS 48 Cb 0.54 -2.89 0.00 0.00 0.12 0.00 0.00 29.99 27.76 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 -2.05 0.00 0.00 4.39 3.41 -1.26 -4.44 113.62 113.67 1cfe n SER 49 Ca -0.22 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.39 1cfe n SER 49 Cb 0.65 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.60 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 0.78 3.38 5.00 0.00 -1.26 -5.13 105.19 107.96 1cfe n GLY 50 Ca 0.00 -0.04 -0.14 0.00 0.00 0.00 0.00 46.02 45.84 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 0.00 -1.23 0.00 4.61 0.00 -1.26 -4.98 121.76 118.90 1cfe s ALA 51 Ca 0.00 1.11 0.00 0.00 0.00 0.00 0.00 51.96 53.07 1cfe s ALA 51 Cb 0.00 -0.42 0.00 0.00 0.00 0.00 0.00 23.12 22.70 1cfe s ALA 51 CO 0.00 -0.27 0.00 0.41 0.00 0.00 0.00 175.76 175.90 1cfe n GLY 52 N 2.01 0.70 3.21 0.00 0.00 -0.89 -4.83 105.19 105.38 1cfe n GLY 52 Ca -0.17 -0.59 -0.16 0.00 0.00 0.00 0.00 46.02 45.10 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 -1.24 0.93 -0.28 1.61 0.41 -1.26 -2.09 118.70 116.79 1cfe s GLU 53 Ca 0.00 -1.21 -0.01 0.00 -0.41 0.00 0.00 54.97 53.35 1cfe s GLU 53 Cb 0.00 -0.69 0.17 0.00 -1.78 0.00 0.00 34.13 31.82 1cfe s GLU 53 CO 0.00 0.12 0.49 0.54 -0.49 0.00 0.00 175.26 175.92 1cfe s ASN 54 N -2.49 -0.57 0.52 -0.19 2.20 -1.24 -4.98 114.94 108.19 1cfe s ASN 54 Ca 0.07 0.40 0.02 0.00 -0.94 0.00 0.00 52.86 52.41 1cfe s ASN 54 Cb -0.03 1.62 0.03 0.00 -2.00 0.00 0.00 41.25 40.86 1cfe s ASN 54 CO 0.01 -0.29 0.74 -0.76 -2.94 0.00 0.00 177.10 173.86 1cfe s LEU 55 N 2.70 3.37 0.03 3.54 1.43 -1.26 -3.64 118.68 124.85 1cfe s LEU 55 Ca 0.15 -0.00 -0.15 0.00 -1.03 0.00 0.00 54.13 53.10 1cfe s LEU 55 Cb -0.14 -2.90 0.03 0.00 0.03 0.00 0.00 46.19 43.21 1cfe s LEU 55 CO -0.21 -1.04 0.34 0.00 0.23 0.00 0.00 176.35 175.68 1cfe s ALA 56 N -2.69 -0.81 -0.05 4.21 0.00 -0.15 -4.98 121.76 117.29 1cfe s ALA 56 Ca 0.56 0.16 -0.06 0.00 0.00 0.00 0.00 51.96 52.61 1cfe s ALA 56 Cb -0.10 0.29 0.01 0.00 0.00 0.00 0.00 23.12 23.32 1cfe s ALA 56 CO 0.38 -0.40 0.16 -1.59 0.00 0.00 0.00 175.76 174.31 1cfe s LYS 57 N -2.34 0.27 -0.15 0.00 -2.85 -1.26 -1.62 119.74 111.80 1cfe s LYS 57 Ca -0.06 0.08 -0.29 0.00 -1.00 0.00 0.00 55.97 54.70 1cfe s LYS 57 Cb -0.01 0.12 0.10 0.00 -2.06 0.00 0.00 37.83 35.98 1cfe s LYS 57 CO -0.02 -0.05 0.85 0.20 0.10 0.00 0.00 175.35 176.44 1cfe s GLY 58 N -0.28 -0.40 -0.06 0.59 0.00 -0.75 -5.01 107.32 101.41 1cfe s GLY 58 Ca -0.04 1.85 -0.21 0.00 0.00 0.00 0.00 44.72 46.33 1cfe s GLY 58 CO 0.01 1.19 0.83 -1.33 0.00 0.00 0.00 173.10 173.80 1cfe h GLY 59 N 3.22 -0.17 -1.01 0.20 0.00 -1.92 0.12 103.07 103.52 1cfe h GLY 59 Ca -0.24 0.06 -0.42 0.00 0.00 0.00 0.00 47.33 46.73 1cfe h GLY 59 CO 0.28 -0.06 0.00 -0.32 0.00 0.00 0.00 176.54 176.45 1cfe s GLY 60 N -3.40 1.51 -0.90 4.60 0.00 -1.26 -4.30 107.32 103.56 1cfe s GLY 60 Ca -0.13 -0.42 -0.23 0.00 0.00 0.00 0.00 44.72 43.94 1cfe s GLY 60 CO 0.49 0.38 2.01 2.09 0.00 0.00 0.00 173.10 178.06 1cfe n ASP 61 N -5.03 0.86 -4.61 1.64 5.75 -1.26 -4.52 116.55 109.39 1cfe n ASP 61 Ca 0.06 -2.17 -0.43 0.00 -0.01 0.00 0.00 54.79 52.24 1cfe n ASP 61 Cb 0.57 -1.55 -0.02 0.00 -1.03 0.00 0.00 41.12 39.09 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 14.41 2.25 0.21 2.11 5.36 -1.26 -4.97 117.98 136.09 1cfe s PHE 62 Ca 0.73 0.66 -0.30 0.00 -0.96 0.00 0.00 56.93 57.07 1cfe s PHE 62 Cb -0.07 -4.19 -0.08 0.00 -0.34 0.00 0.00 43.02 38.33 1cfe s PHE 62 CO 0.16 -2.30 0.93 0.95 -1.46 0.00 0.00 175.22 173.50 1cfe s THR 63 N 5.66 4.18 0.23 0.12 -4.23 -1.26 -4.97 115.64 115.37 1cfe s THR 63 Ca 0.66 2.06 -0.08 0.00 -1.18 0.00 0.00 61.69 63.15 1cfe s THR 63 Cb -0.17 -4.31 0.21 0.00 1.34 0.00 0.00 72.50 69.56 1cfe s THR 63 CO 0.32 0.46 1.91 1.23 -0.54 0.00 0.00 174.62 178.00 1cfe h GLY 64 N 4.46 1.24 0.03 3.99 0.00 -1.59 0.03 103.07 111.23 1cfe h GLY 64 Ca -0.45 -0.46 0.09 0.00 0.00 0.00 0.00 47.33 46.51 1cfe h GLY 64 CO 0.69 0.45 -0.17 -0.09 0.00 0.00 0.00 176.54 177.42 1cfe h ARG 65 N 1.20 -0.08 -0.21 4.80 2.43 -1.82 -0.57 114.38 120.14 1cfe h ARG 65 Ca 0.32 0.01 -0.04 0.00 -0.81 0.00 0.00 59.98 59.46 1cfe h ARG 65 Cb -0.14 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.42 1cfe h ARG 65 CO -0.07 -0.05 -0.05 0.00 -1.51 0.00 0.00 179.97 178.29 1cfe h ALA 66 N 1.26 1.54 0.38 2.80 0.00 -1.47 -0.68 119.26 123.09 1cfe h ALA 66 Ca 0.21 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 1cfe h ALA 66 Cb 0.40 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1cfe h ALA 66 CO -0.48 0.33 -0.18 0.00 0.00 0.00 0.00 179.25 178.92 1cfe h ALA 67 N 1.65 -0.52 -0.41 0.00 0.00 0.40 0.62 119.26 121.01 1cfe h ALA 67 Ca 0.07 -0.13 0.07 0.00 0.00 0.00 0.00 54.91 54.91 1cfe h ALA 67 Cb 0.29 0.20 -0.06 0.00 0.00 0.00 0.00 17.79 18.22 1cfe h ALA 67 CO 0.01 -0.76 0.06 0.28 0.00 0.00 0.00 179.25 178.85 1cfe h VAL 68 N -0.59 0.76 -1.00 0.00 2.07 -0.71 0.12 116.25 116.91 1cfe h VAL 68 Ca -0.05 -0.06 0.17 0.00 0.82 0.00 0.00 66.70 67.57 1cfe h VAL 68 Cb 0.44 0.56 -0.10 0.00 -1.52 0.00 0.00 31.29 30.67 1cfe h VAL 68 CO 0.09 0.03 0.62 1.56 0.02 0.00 0.00 177.57 179.89 1cfe h GLN 69 N 0.18 0.81 -0.31 1.57 1.08 -1.03 0.55 115.11 117.95 1cfe h GLN 69 Ca 0.20 -0.05 -0.12 0.00 -1.45 0.00 0.00 58.65 57.23 1cfe h GLN 69 Cb 0.25 -0.18 -0.01 0.00 -0.05 0.00 0.00 27.48 27.49 1cfe h GLN 69 CO -0.28 0.54 -0.28 1.25 -0.95 0.00 0.00 178.83 179.10 1cfe h LEU 70 N 0.83 0.66 -0.47 1.46 5.85 0.16 -2.55 115.31 121.25 1cfe h LEU 70 Ca 0.56 -0.25 -0.08 0.00 0.84 0.00 0.00 57.88 58.95 1cfe h LEU 70 Cb 0.78 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.61 1cfe h LEU 70 CO -0.35 0.91 -0.00 -0.50 -0.34 0.00 0.00 178.44 178.16 1cfe h TRP 71 N 0.55 0.91 0.00 1.25 6.55 0.26 -1.61 115.95 123.86 1cfe h TRP 71 Ca 0.07 -0.16 0.00 0.00 0.95 0.00 0.00 58.89 59.75 1cfe h TRP 71 Cb 0.77 -0.24 0.00 0.00 -0.86 0.00 0.00 29.16 28.83 1cfe h TRP 71 CO 0.03 0.87 0.00 0.28 -1.05 0.00 0.00 178.44 178.58 1cfe n VAL 72 N -4.35 1.31 0.43 1.49 0.31 0.02 -2.63 118.33 114.90 1cfe n VAL 72 Ca 0.00 0.50 0.04 0.00 -0.01 0.00 0.00 64.34 64.87 1cfe n VAL 72 Cb 0.31 -1.45 0.22 0.00 -0.91 0.00 0.00 33.84 32.01 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 -1.90 0.00 0.00 4.52 2.88 -0.61 -0.14 113.62 118.37 1cfe n SER 73 Ca 0.00 0.03 0.00 0.00 -1.33 0.00 0.00 58.87 57.57 1cfe n SER 73 Cb 0.08 -0.19 0.02 0.00 -0.75 0.00 0.00 64.21 63.37 1cfe n SER 73 CO 0.00 0.00 0.00 -1.84 -1.23 0.00 0.00 175.04 171.97 1cfe n GLU 74 N -1.19 0.72 -0.32 -1.46 -0.00 -1.18 -4.42 120.64 112.79 1cfe n GLU 74 Ca 0.05 0.00 0.16 0.00 -0.00 0.00 0.00 57.16 57.36 1cfe n GLU 74 Cb 0.05 -1.01 0.35 0.00 -0.00 0.00 0.00 31.44 30.83 1cfe n GLU 74 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.13 177.04 1cfe h ARG 75 N 0.00 0.43 -0.82 3.44 2.43 -0.84 0.34 114.38 119.36 1cfe h ARG 75 Ca 0.00 -0.03 0.14 0.00 -0.81 0.00 0.00 59.98 59.29 1cfe h ARG 75 Cb 0.00 -0.10 -0.09 0.00 -0.42 0.00 0.00 29.97 29.36 1cfe h ARG 75 CO 0.00 0.29 0.41 -1.35 -1.51 0.00 0.00 179.97 177.80 1cfe h PRO 76 N 0.44 0.58 0.00 0.20 0.11 -1.87 -3.21 132.00 128.25 1cfe h PRO 76 Ca 0.61 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.68 1cfe h PRO 76 Cb 1.19 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.17 1cfe h PRO 76 CO -0.53 0.38 -1.04 -1.13 -0.21 0.00 0.00 178.00 175.47 1cfe n SER 77 N -4.89 0.65 -4.80 -2.05 3.41 0.10 -4.82 113.62 101.23 1cfe n SER 77 Ca 0.16 -0.42 -0.36 0.00 -0.26 0.00 0.00 58.87 57.98 1cfe n SER 77 Cb 0.42 0.90 -0.06 0.00 -0.26 0.00 0.00 64.21 65.20 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 -3.15 3.67 0.00 7.33 -0.85 -0.12 -0.30 117.35 123.93 1cfe s TYR 78 Ca 0.05 1.54 0.00 0.00 -0.52 0.00 0.00 57.07 58.14 1cfe s TYR 78 Cb 0.15 -2.74 0.00 0.00 0.38 0.00 0.00 41.96 39.75 1cfe s TYR 78 CO 0.82 0.29 0.00 -1.71 -1.52 0.00 0.00 175.55 173.43 1cfe n ASN 79 N 0.67 0.00 0.00 -0.18 4.05 -1.26 -4.89 115.26 113.65 1cfe n ASN 79 Ca -0.01 0.00 0.00 0.00 0.45 0.00 0.00 54.58 55.02 1cfe n ASN 79 Cb 0.51 0.00 0.00 0.00 1.23 0.00 0.00 39.78 41.52 1cfe n ASN 79 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1cfe n TYR 80 N -0.42 0.00 0.00 1.20 4.19 -1.26 -4.99 117.16 115.88 1cfe n TYR 80 Ca 0.00 0.00 0.00 0.00 3.31 0.00 0.00 57.90 61.21 1cfe n TYR 80 Cb 0.00 0.00 0.00 0.00 0.49 0.00 0.00 39.34 39.83 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 -0.09 0.00 -0.44 2.98 0.00 -1.26 -1.95 120.51 119.75 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 0.01 0.00 0.00 0.00 0.00 19.45 19.46 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 0.66 -3.75 0.00 -2.24 -1.26 -5.01 114.28 102.68 1cfe n THR 82 Ca 0.00 -0.67 -0.26 0.00 -2.27 0.00 0.00 64.05 60.84 1cfe n THR 82 Cb 0.00 0.65 0.05 0.00 -2.10 0.00 0.00 70.33 68.92 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 -0.35 -4.55 -3.91 3.42 4.05 -0.82 -4.97 115.26 108.13 1cfe n ASN 83 Ca 0.01 -0.70 -0.08 0.00 0.45 0.00 0.00 54.58 54.25 1cfe n ASN 83 Cb 0.36 -4.35 -0.08 0.00 1.23 0.00 0.00 39.78 36.95 1cfe n ASN 83 CO 0.00 0.00 0.00 -1.10 -3.05 0.00 0.00 177.26 173.11 1cfe s GLN 84 N -6.34 0.78 0.28 1.20 -1.52 -1.24 -4.92 119.66 107.90 1cfe s GLN 84 Ca 0.50 -1.00 -0.29 0.00 -1.95 0.00 0.00 55.36 52.61 1cfe s GLN 84 Cb -0.24 0.31 -0.10 0.00 -0.22 0.00 0.00 33.01 32.77 1cfe s GLN 84 CO 0.79 -0.23 1.29 0.00 -0.25 0.00 0.00 175.29 176.89 1cfe s VAL 86 N -0.71 2.79 -0.85 0.00 1.01 0.59 -1.11 120.40 122.11 1cfe s VAL 86 Ca 0.51 0.42 -0.09 0.00 0.00 0.00 0.00 61.98 62.82 1cfe s VAL 86 Cb -0.38 -3.27 0.09 0.00 0.00 0.00 0.00 36.38 32.82 1cfe s VAL 86 CO 0.47 0.01 0.27 0.61 0.00 0.00 0.00 175.10 176.46 1cfe n GLY 87 N 3.91 -0.47 3.94 4.51 0.00 -1.26 -1.34 105.19 114.48 1cfe n GLY 87 Ca 0.15 0.04 -0.31 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.80 -0.49 0.00 -0.02 0.00 -0.26 -4.97 105.19 98.66 1cfe n GLY 88 Ca 0.03 0.17 0.00 0.00 0.00 0.00 0.00 46.02 46.22 1cfe n GLY 88 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1cfe n LYS 89 N -4.51 -0.20 -1.12 1.61 4.76 -0.45 -4.81 118.16 113.43 1cfe n LYS 89 Ca 0.05 0.00 -0.33 0.00 -2.87 0.00 0.00 58.31 55.16 1cfe n LYS 89 Cb 0.52 0.00 -0.03 0.00 -1.84 0.00 0.00 35.03 33.68 1cfe n LYS 89 CO 0.00 0.00 0.00 1.17 -1.37 0.00 0.00 177.40 177.20 1cfe n LYS 90 N -0.98 3.15 -0.35 1.97 4.81 -1.26 -4.64 118.16 120.87 1cfe n LYS 90 Ca 0.00 -1.93 0.08 0.00 -0.87 0.00 0.00 58.31 55.58 1cfe n LYS 90 Cb 0.00 -2.67 0.24 0.00 0.02 0.00 0.00 35.03 32.62 1cfe n LYS 90 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1cfe n ARG 92 N 0.89 2.27 0.07 0.00 3.00 -1.26 -3.28 116.66 118.35 1cfe n ARG 92 Ca 0.18 -1.88 0.00 0.00 -0.00 0.00 0.00 57.85 56.14 1cfe n ARG 92 Cb 0.55 -2.79 0.00 0.00 0.00 0.00 0.00 32.46 30.22 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 5.47 -2.79 -0.24 -0.14 8.25 -1.26 -4.96 115.22 119.55 1cfe n HIS 93 Ca 0.53 0.51 -0.00 0.00 -0.26 0.00 0.00 57.72 58.49 1cfe n HIS 93 Cb 0.28 1.53 0.12 0.00 1.12 0.00 0.00 29.99 33.03 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 0.67 -0.96 4.41 3.20 -1.55 0.17 116.97 122.91 1cfe h TYR 94 Ca 0.00 0.03 0.30 0.00 3.14 0.00 0.00 58.73 62.19 1cfe h TYR 94 Cb 0.00 -0.20 -0.17 0.00 1.54 0.00 0.00 36.73 37.91 1cfe h TYR 94 CO 0.00 0.28 0.23 1.79 -1.64 0.00 0.00 178.16 178.82 1cfe h THR 95 N 0.65 0.11 0.47 1.81 1.35 -1.90 0.19 112.91 115.60 1cfe h THR 95 Ca 0.33 -0.03 -0.02 0.00 -0.55 0.00 0.00 66.41 66.14 1cfe h THR 95 Cb 0.28 0.03 0.00 0.00 -1.73 0.00 0.00 68.15 66.73 1cfe h THR 95 CO -0.22 0.01 -0.22 -0.61 -0.25 0.00 0.00 175.52 174.23 1cfe h GLN 96 N 0.08 -0.60 -0.78 4.72 -0.00 -1.27 -2.40 115.11 114.85 1cfe h GLN 96 Ca 0.65 0.04 0.13 0.00 -0.00 0.00 0.00 58.65 59.47 1cfe h GLN 96 Cb 1.45 0.14 -0.05 0.00 0.00 0.00 0.00 27.48 29.01 1cfe h GLN 96 CO -0.80 -0.30 0.52 0.28 0.00 0.00 0.00 178.83 178.53 1cfe h VAL 97 N -0.92 0.85 0.00 2.39 2.07 -0.11 0.81 116.25 121.34 1cfe h VAL 97 Ca -0.06 -0.19 0.00 0.00 0.82 0.00 0.00 66.70 67.27 1cfe h VAL 97 Cb 0.58 0.25 0.00 0.00 -1.52 0.00 0.00 31.29 30.60 1cfe h VAL 97 CO 0.11 0.10 -0.30 1.62 0.02 0.00 0.00 177.57 179.11 1cfe h VAL 98 N 0.55 0.00 -0.17 2.57 3.04 -0.84 -3.44 116.25 117.96 1cfe h VAL 98 Ca 0.38 -0.59 -0.15 0.00 -1.01 0.00 0.00 66.70 65.33 1cfe h VAL 98 Cb 0.70 1.40 -0.05 0.00 -2.01 0.00 0.00 31.29 31.33 1cfe h VAL 98 CO -0.14 0.00 0.90 1.87 -1.01 0.00 0.00 177.57 179.19 1cfe n TRP 99 N -2.35 0.61 -0.28 3.17 -0.00 0.28 -4.70 117.44 114.17 1cfe n TRP 99 Ca 0.04 -0.02 0.10 0.00 -0.00 0.00 0.00 57.50 57.62 1cfe n TRP 99 Cb 0.46 -1.64 0.23 0.00 -0.00 0.00 0.00 31.31 30.36 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 11.76 0.19 -1.99 5.87 2.43 -0.79 -1.52 114.38 130.33 1cfe h ARG 100 Ca 0.02 -0.01 -0.09 0.00 -0.81 0.00 0.00 59.98 59.08 1cfe h ARG 100 Cb 1.05 -0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 30.53 1cfe h ARG 100 CO 1.26 0.13 -0.16 -1.71 -1.51 0.00 0.00 179.97 177.98 1cfe n ASN 101 N -5.24 5.33 -4.01 -3.80 5.15 -1.26 -4.63 115.26 106.80 1cfe n ASN 101 Ca 0.18 -2.46 -0.15 0.00 -0.60 0.00 0.00 54.58 51.55 1cfe n ASN 101 Cb 0.58 -1.25 -0.13 0.00 -0.53 0.00 0.00 39.78 38.45 1cfe n ASN 101 CO 0.00 0.00 0.00 -0.94 1.40 0.00 0.00 177.26 177.72 1cfe s SER 102 N 1.96 0.75 0.00 1.20 1.04 -0.57 -4.28 113.70 113.80 1cfe s SER 102 Ca 0.30 -0.29 0.00 0.00 0.48 0.00 0.00 55.95 56.44 1cfe s SER 102 Cb 0.14 -0.03 0.00 0.00 0.10 0.00 0.00 66.02 66.24 1cfe s SER 102 CO -0.00 -0.04 0.00 1.33 0.98 0.00 0.00 173.24 175.50 1cfe n VAL 103 N 2.32 0.00 -3.98 5.02 0.24 -0.13 -4.71 118.33 117.08 1cfe n VAL 103 Ca -0.17 -0.05 -0.27 0.00 -2.04 0.00 0.00 64.34 61.81 1cfe n VAL 103 Cb 0.57 0.41 -0.04 0.00 -1.47 0.00 0.00 33.84 33.31 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 -0.60 3.28 -0.20 7.34 0.52 -0.25 -0.62 118.95 128.41 1cfe s ARG 104 Ca 0.00 -0.64 -0.10 0.00 -0.52 0.00 0.00 55.73 54.47 1cfe s ARG 104 Cb 0.00 -2.89 0.07 0.00 0.52 0.00 0.00 34.95 32.66 1cfe s ARG 104 CO 0.00 0.53 0.48 -1.17 0.02 0.00 0.00 175.30 175.16 1cfe s LEU 105 N -3.04 -0.42 -0.17 2.53 2.96 -1.08 -2.83 118.68 116.63 1cfe s LEU 105 Ca 0.33 1.07 -0.04 0.00 -0.22 0.00 0.00 54.13 55.27 1cfe s LEU 105 Cb -0.11 1.60 0.08 0.00 0.50 0.00 0.00 46.19 48.26 1cfe s LEU 105 CO 0.27 -0.21 0.28 -0.83 -1.32 0.00 0.00 176.35 174.53 1cfe s GLY 106 N 1.76 -0.14 0.23 7.98 0.00 -0.58 0.24 107.32 116.82 1cfe s GLY 106 Ca -0.08 0.81 0.07 0.00 0.00 0.00 0.00 44.72 45.52 1cfe s GLY 106 CO -0.14 2.13 0.17 0.00 0.00 0.00 0.00 173.10 175.25 1cfe s GLY 108 N -3.62 0.41 -0.06 0.00 0.00 -0.05 -3.99 107.32 100.01 1cfe s GLY 108 Ca 0.32 -0.55 0.02 0.00 0.00 0.00 0.00 44.72 44.51 1cfe s GLY 108 CO 0.24 1.82 -0.11 -1.60 0.00 0.00 0.00 173.10 173.45 1cfe s ARG 109 N 2.12 2.61 -0.19 2.90 3.52 -1.26 -0.50 118.95 128.14 1cfe s ARG 109 Ca 0.04 -0.64 -0.27 0.00 -0.13 0.00 0.00 55.73 54.73 1cfe s ARG 109 Cb -0.16 -2.47 0.07 0.00 -1.56 0.00 0.00 34.95 30.83 1cfe s ARG 109 CO -0.17 0.63 0.70 0.00 -0.81 0.00 0.00 175.30 175.65 1cfe s ALA 110 N -0.75 -1.76 -0.10 6.12 0.00 -0.81 -4.79 121.76 119.68 1cfe s ALA 110 Ca 0.12 1.76 -0.28 0.00 0.00 0.00 0.00 51.96 53.55 1cfe s ALA 110 Cb -0.11 -0.74 -0.02 0.00 0.00 0.00 0.00 23.12 22.25 1cfe s ALA 110 CO 0.01 -0.35 0.95 0.50 0.00 0.00 0.00 175.76 176.87 1cfe s ARG 111 N -0.20 4.43 0.73 0.00 3.52 -1.26 -0.60 118.95 125.56 1cfe s ARG 111 Ca -0.04 1.30 -0.14 0.00 -0.13 0.00 0.00 55.73 56.71 1cfe s ARG 111 Cb -0.03 -3.53 0.04 0.00 -1.56 0.00 0.00 34.95 29.87 1cfe s ARG 111 CO 0.04 -0.25 1.18 0.00 -0.81 0.00 0.00 175.30 175.46 1cfe h ASN 113 N -0.37 0.41 0.00 0.00 -1.07 -1.87 1.00 115.58 113.68 1cfe h ASN 113 Ca -0.47 0.01 0.00 0.00 0.07 0.00 0.00 56.30 55.92 1cfe h ASN 113 Cb 1.28 -0.07 0.00 0.00 -2.07 0.00 0.00 38.32 37.46 1cfe h ASN 113 CO 0.50 0.23 0.00 -0.46 0.07 0.00 0.00 177.43 177.77 1cfe n ASN 114 N -4.48 0.00 0.00 6.14 6.94 -1.26 -4.85 115.26 117.75 1cfe n ASN 114 Ca 0.12 -0.98 0.00 0.00 -0.02 0.00 0.00 54.58 53.70 1cfe n ASN 114 Cb 0.43 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.85 1cfe n ASN 114 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1cfe n GLY 115 N 0.12 2.99 3.76 4.83 0.00 0.35 -5.01 105.19 112.23 1cfe n GLY 115 Ca 0.05 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.71 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 -1.33 2.42 -0.13 1.61 0.51 -1.26 -4.65 118.94 116.12 1cfe s TRP 116 Ca 0.00 1.51 -0.26 0.00 -2.12 0.00 0.00 56.10 55.24 1cfe s TRP 116 Cb 0.00 -3.48 -0.02 0.00 -0.81 0.00 0.00 33.47 29.16 1cfe s TRP 116 CO 0.00 -2.17 0.83 -1.58 -0.51 0.00 0.00 176.95 173.52 1cfe s TRP 117 N -1.59 3.48 0.25 -1.98 0.52 0.42 -0.39 118.94 119.64 1cfe s TRP 117 Ca 0.77 1.32 -0.21 0.00 0.02 0.00 0.00 56.10 58.00 1cfe s TRP 117 Cb -0.30 -2.99 -0.09 0.00 -1.15 0.00 0.00 33.47 28.94 1cfe s TRP 117 CO 0.33 -0.15 0.78 0.12 0.02 0.00 0.00 176.95 178.05 1cfe s PHE 118 N 1.73 3.66 -0.03 -1.98 5.36 0.23 -1.81 117.98 125.14 1cfe s PHE 118 Ca 0.40 1.48 0.02 0.00 -0.96 0.00 0.00 56.93 57.87 1cfe s PHE 118 Cb -0.17 -2.69 0.00 0.00 -0.34 0.00 0.00 43.02 39.82 1cfe s PHE 118 CO 0.16 0.30 -0.09 0.42 -1.46 0.00 0.00 175.22 174.55 1cfe s ILE 119 N -1.55 0.76 0.21 3.12 1.09 -0.64 -1.92 121.20 122.27 1cfe s ILE 119 Ca 0.45 -0.34 0.09 0.00 -1.10 0.00 0.00 60.65 59.74 1cfe s ILE 119 Cb -0.17 -0.68 -0.05 0.00 -1.06 0.00 0.00 42.46 40.50 1cfe s ILE 119 CO 0.22 0.24 -0.16 -0.94 -0.10 0.00 0.00 174.94 174.20 1cfe s SER 120 N 0.22 2.74 -0.23 3.58 1.04 0.34 -0.98 113.70 120.41 1cfe s SER 120 Ca -0.03 -0.99 -0.12 0.00 0.48 0.00 0.00 55.95 55.29 1cfe s SER 120 Cb -0.09 -0.16 0.08 0.00 0.10 0.00 0.00 66.02 65.95 1cfe s SER 120 CO 0.00 -0.11 0.55 0.00 0.98 0.00 0.00 173.24 174.67 1cfe s ASN 122 N 1.79 5.64 -0.01 0.00 3.84 -0.66 -3.59 114.94 121.94 1cfe s ASN 122 Ca -0.09 0.05 0.00 0.00 0.21 0.00 0.00 52.86 53.04 1cfe s ASN 122 Cb -0.08 -1.56 0.02 0.00 -0.55 0.00 0.00 41.25 39.07 1cfe s ASN 122 CO -0.16 0.20 0.01 -0.31 -2.79 0.00 0.00 177.10 174.04 1cfe s TYR 123 N -1.35 0.08 0.03 0.43 1.51 -0.89 -1.52 117.35 115.64 1cfe s TYR 123 Ca 0.28 0.05 0.08 0.00 -1.01 0.00 0.00 57.07 56.47 1cfe s TYR 123 Cb -0.12 -0.17 -0.02 0.00 -0.11 0.00 0.00 41.96 41.53 1cfe s TYR 123 CO 0.21 -0.05 -0.22 0.34 -1.11 0.00 0.00 175.55 174.71 1cfe s ASP 124 N 0.57 2.63 1.21 2.29 -1.08 -1.13 -3.79 116.67 117.37 1cfe s ASP 124 Ca -0.05 -0.50 -0.14 0.00 -0.52 0.00 0.00 52.55 51.33 1cfe s ASP 124 Cb -0.07 -0.24 0.30 0.00 -1.46 0.00 0.00 42.92 41.44 1cfe s ASP 124 CO -0.01 0.21 1.01 -2.16 0.52 0.00 0.00 175.17 174.74 1cfe s PRO 125 N -1.02 -1.24 0.05 4.34 0.04 -1.26 -0.96 135.00 134.94 1cfe s PRO 125 Ca 0.09 0.66 -0.35 0.00 0.04 0.00 0.00 61.00 61.43 1cfe s PRO 125 Cb -0.09 -1.53 -0.14 0.00 0.04 0.00 0.00 34.50 32.78 1cfe s PRO 125 CO 0.01 -3.89 1.66 1.33 0.04 0.00 0.00 177.00 176.15 1cfe n VAL 126 N -5.01 0.20 -2.79 -0.36 0.24 -1.26 -4.48 118.33 104.87 1cfe n VAL 126 Ca 0.04 -0.04 -0.35 0.00 -2.04 0.00 0.00 64.34 61.95 1cfe n VAL 126 Cb 0.56 -1.54 -0.07 0.00 -1.47 0.00 0.00 33.84 31.32 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 2.02 2.62 -1.17 7.63 0.00 -1.25 -4.18 107.32 112.99 1cfe s GLY 127 Ca 0.85 0.47 -0.02 0.00 0.00 0.00 0.00 44.72 46.02 1cfe s GLY 127 CO 0.45 0.84 0.12 -2.01 0.00 0.00 0.00 173.10 172.51 1cfe n ASN 128 N 0.01 -4.15 -4.85 1.64 2.85 -1.26 -2.10 115.26 107.40 1cfe n ASN 128 Ca 0.04 0.05 -0.38 0.00 -0.11 0.00 0.00 54.58 54.19 1cfe n ASN 128 Cb 0.52 -3.49 -0.06 0.00 1.24 0.00 0.00 39.78 37.99 1cfe n ASN 128 CO 0.00 0.00 0.00 0.86 -2.11 0.00 0.00 177.26 176.01 1cfe s TRP 129 N -2.73 3.67 0.56 1.20 -0.11 -1.26 -4.89 118.94 115.39 1cfe s TRP 129 Ca 0.09 0.82 -0.20 0.00 1.22 0.00 0.00 56.10 58.02 1cfe s TRP 129 Cb -0.04 -2.17 -0.04 0.00 -1.50 0.00 0.00 33.47 29.72 1cfe s TRP 129 CO 0.11 0.67 1.25 -1.50 -4.62 0.00 0.00 176.95 172.85 1cfe s ILE 130 N -1.01 2.50 0.00 5.86 2.07 -1.26 -3.94 121.20 125.42 1cfe s ILE 130 Ca 0.20 0.34 0.00 0.00 -1.41 0.00 0.00 60.65 59.78 1cfe s ILE 130 Cb -0.15 -3.15 0.00 0.00 0.13 0.00 0.00 42.46 39.29 1cfe s ILE 130 CO 0.10 -0.04 0.00 0.61 -1.91 0.00 0.00 174.94 173.70 1cfe n GLY 131 N 0.60 0.68 3.53 1.50 0.00 -1.26 -5.10 105.19 105.13 1cfe n GLY 131 Ca 0.12 -0.38 -0.10 0.00 0.00 0.00 0.00 46.02 45.65 1cfe n GLY 131 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1cfe n GLN 132 N -1.17 0.97 -4.74 1.61 -0.06 -1.25 -5.15 117.38 107.60 1cfe n GLN 132 Ca 0.00 -2.33 -0.33 0.00 -2.00 0.00 0.00 57.00 52.34 1cfe n GLN 132 Cb 0.47 2.67 -0.13 0.00 -4.06 0.00 0.00 30.24 29.19 1cfe n GLN 132 CO 0.00 0.00 0.00 1.03 -0.20 0.00 0.00 177.06 177.89 1cfe s ARG 133 N -2.30 3.08 -0.01 3.69 0.52 -1.26 -5.05 118.95 117.62 1cfe s ARG 133 Ca 0.19 -0.64 -0.21 0.00 -0.52 0.00 0.00 55.73 54.55 1cfe s ARG 133 Cb -0.04 -2.59 -0.24 0.00 0.52 0.00 0.00 34.95 32.60 1cfe s ARG 133 CO 0.14 0.40 1.06 -1.00 0.02 0.00 0.00 175.30 175.93 1cfe h PRO 134 N 6.10 0.36 0.00 3.54 0.13 -1.92 -3.38 132.00 136.83 1cfe h PRO 134 Ca -0.36 -0.40 0.00 0.00 -0.87 0.00 0.00 66.00 64.37 1cfe h PRO 134 Cb 1.19 0.12 0.00 0.00 0.13 0.00 0.00 31.00 32.44 1cfe h PRO 134 CO 0.55 1.09 0.00 2.48 -0.23 0.00 0.00 178.00 181.88