#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 0.00 0.00 1.08 0.23 -1.26 -1.49 115.26 113.82 1cfe n ASN 2 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.05 1cfe n ASN 2 Cb 0.00 0.02 0.00 0.00 -2.08 0.00 0.00 39.78 37.72 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 -1.25 -1.71 -0.09 0.53 3.41 -1.26 -3.23 113.62 110.03 1cfe n SER 3 Ca 0.00 0.00 -0.12 0.00 -0.26 0.00 0.00 58.87 58.49 1cfe n SER 3 Cb 0.00 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 63.89 1cfe n SER 3 CO 0.00 0.00 0.00 -0.81 -0.16 0.00 0.00 175.04 174.07 1cfe n PRO 4 N 0.00 0.50 -0.28 4.33 -0.04 -1.26 -4.67 135.00 133.58 1cfe n PRO 4 Ca 0.00 0.52 -0.05 0.00 -0.04 0.00 0.00 63.50 63.93 1cfe n PRO 4 Cb 0.00 -1.69 0.06 0.00 -0.04 0.00 0.00 33.50 31.83 1cfe n PRO 4 CO 0.00 0.00 0.00 0.37 -0.04 0.00 0.00 175.50 175.83 1cfe h GLN 5 N -1.00 1.10 -0.57 0.54 5.75 -1.98 -1.25 115.11 117.70 1cfe h GLN 5 Ca -0.16 -0.15 0.05 0.00 -0.15 0.00 0.00 58.65 58.24 1cfe h GLN 5 Cb 0.87 -0.20 -0.03 0.00 1.07 0.00 0.00 27.48 29.19 1cfe h GLN 5 CO -0.10 0.84 0.38 -0.44 -2.65 0.00 0.00 178.83 176.87 1cfe h ASP 6 N 1.08 0.52 0.22 -0.69 3.32 -1.85 0.25 116.42 119.27 1cfe h ASP 6 Ca 0.27 -0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.30 1cfe h ASP 6 Cb 0.10 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 39.53 1cfe h ASP 6 CO -0.04 0.35 -0.11 1.88 -1.72 0.00 0.00 179.24 179.61 1cfe h TYR 7 N 0.60 -0.27 -0.77 4.55 -1.99 -1.39 -3.33 116.97 114.36 1cfe h TYR 7 Ca 0.24 -0.01 0.09 0.00 2.00 0.00 0.00 58.73 61.05 1cfe h TYR 7 Cb 0.20 0.09 -0.07 0.00 2.00 0.00 0.00 36.73 38.95 1cfe h TYR 7 CO -0.00 0.11 0.43 -0.07 -0.00 0.00 0.00 178.16 178.63 1cfe h LEU 8 N -0.89 0.61 -0.03 3.88 3.38 -0.20 -1.01 115.31 121.05 1cfe h LEU 8 Ca -0.03 0.05 0.04 0.00 0.09 0.00 0.00 57.88 58.02 1cfe h LEU 8 Cb 0.51 -0.07 -0.05 0.00 0.09 0.00 0.00 40.66 41.13 1cfe h LEU 8 CO 0.05 0.36 -0.35 0.00 0.09 0.00 0.00 178.44 178.59 1cfe h ALA 9 N 1.43 -0.50 -0.93 1.53 0.00 -0.73 0.22 119.26 120.27 1cfe h ALA 9 Ca 0.37 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.27 1cfe h ALA 9 Cb 0.32 0.62 -0.05 0.00 0.00 0.00 0.00 17.79 18.69 1cfe h ALA 9 CO -0.24 -0.86 0.61 0.28 0.00 0.00 0.00 179.25 179.04 1cfe h VAL 10 N -0.49 1.24 -0.07 0.00 2.07 -1.42 0.10 116.25 117.69 1cfe h VAL 10 Ca 0.06 -0.47 0.01 0.00 0.82 0.00 0.00 66.70 67.12 1cfe h VAL 10 Cb 0.59 -0.12 -0.01 0.00 -1.52 0.00 0.00 31.29 30.23 1cfe h VAL 10 CO -0.30 0.24 0.02 0.45 0.02 0.00 0.00 177.57 178.00 1cfe h HIS 11 N 1.27 0.03 -0.27 1.57 -0.00 -0.63 0.48 115.15 117.60 1cfe h HIS 11 Ca 0.34 0.00 -0.09 0.00 -0.00 0.00 0.00 60.37 60.62 1cfe h HIS 11 Cb -0.12 -0.00 -0.01 0.00 -0.00 0.00 0.00 27.41 27.27 1cfe h HIS 11 CO -0.00 0.02 -0.22 -0.91 -0.00 0.00 0.00 177.93 176.82 1cfe h ASN 12 N 0.05 0.51 0.04 2.45 2.35 0.28 0.18 115.58 121.44 1cfe h ASN 12 Ca 0.03 -0.16 0.00 0.00 -0.55 0.00 0.00 56.30 55.62 1cfe h ASN 12 Cb 0.02 -0.14 -0.01 0.00 0.05 0.00 0.00 38.32 38.24 1cfe h ASN 12 CO -0.03 0.73 -0.10 -0.78 -1.65 0.00 0.00 177.43 175.59 1cfe h ASP 13 N 0.46 -0.31 -1.06 5.81 1.82 -0.73 -0.02 116.42 122.39 1cfe h ASP 13 Ca 0.07 0.03 0.28 0.00 -0.39 0.00 0.00 57.03 57.02 1cfe h ASP 13 Cb 0.63 0.11 -0.09 0.00 0.68 0.00 0.00 39.33 40.66 1cfe h ASP 13 CO 0.04 -0.12 0.69 0.00 -1.61 0.00 0.00 179.24 178.25 1cfe h ALA 14 N -1.41 2.32 0.01 -0.78 0.00 0.00 0.18 119.26 119.58 1cfe h ALA 14 Ca -0.00 0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 1cfe h ALA 14 Cb 0.15 0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1cfe h ALA 14 CO -0.05 -0.73 -0.01 0.00 0.00 0.00 0.00 179.25 178.47 1cfe h ARG 15 N 0.35 -0.01 -0.83 0.00 3.08 -0.70 -3.28 114.38 112.98 1cfe h ARG 15 Ca 0.61 0.00 0.19 0.00 0.07 0.00 0.00 59.98 60.84 1cfe h ARG 15 Cb 1.62 0.00 -0.11 0.00 0.08 0.00 0.00 29.97 31.56 1cfe h ARG 15 CO -0.29 0.72 0.31 0.00 -1.07 0.00 0.00 179.97 179.64 1cfe h ALA 16 N 0.18 1.22 -0.68 0.04 0.00 0.12 0.95 119.26 121.10 1cfe h ALA 16 Ca -0.00 0.15 0.12 0.00 0.00 0.00 0.00 54.91 55.18 1cfe h ALA 16 Cb 0.74 0.16 -0.13 0.00 0.00 0.00 0.00 17.79 18.56 1cfe h ALA 16 CO 0.00 -0.31 -0.31 1.96 0.00 0.00 0.00 179.25 180.60 1cfe h GLN 17 N 0.38 -0.10 -0.64 0.00 1.08 -0.88 -0.17 115.11 114.78 1cfe h GLN 17 Ca 0.49 0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.70 1cfe h GLN 17 Cb 0.87 0.02 0.00 0.00 -0.05 0.00 0.00 27.48 28.32 1cfe h GLN 17 CO -0.50 -0.07 0.00 1.33 -0.95 0.00 0.00 178.83 178.64 1cfe n VAL 18 N -5.45 1.67 -3.52 -0.54 0.24 -0.79 -4.94 118.33 104.99 1cfe n VAL 18 Ca 0.06 -1.05 -0.19 0.00 -2.04 0.00 0.00 64.34 61.12 1cfe n VAL 18 Cb 0.37 0.06 0.06 0.00 -1.47 0.00 0.00 33.84 32.86 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 1.03 -0.46 3.66 7.63 0.00 -0.08 -5.01 105.19 111.96 1cfe n GLY 19 Ca 0.23 0.19 -0.33 0.00 0.00 0.00 0.00 46.02 46.11 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 -3.49 4.08 0.89 1.61 1.01 0.24 -4.99 120.40 119.76 1cfe s VAL 20 Ca 0.08 -0.49 -0.13 0.00 0.00 0.00 0.00 61.98 61.44 1cfe s VAL 20 Cb -0.02 -2.76 0.05 0.00 0.00 0.00 0.00 36.38 33.66 1cfe s VAL 20 CO 0.77 0.48 0.69 0.61 0.00 0.00 0.00 175.10 177.65 1cfe n GLY 21 N 1.76 -1.33 0.00 4.51 0.00 -1.26 -3.85 105.19 105.03 1cfe n GLY 21 Ca -0.16 -0.65 0.00 0.00 0.00 0.00 0.00 46.02 45.20 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 -2.30 0.11 -4.05 1.61 -0.04 -1.26 -4.85 135.00 124.22 1cfe n PRO 22 Ca 0.09 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.45 1cfe n PRO 22 Cb 0.52 0.00 -0.07 0.00 -0.04 0.00 0.00 33.50 33.92 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 -1.36 1.44 0.40 0.54 0.23 -1.26 -4.76 119.30 114.53 1cfe s MET 23 Ca 0.00 -1.34 0.04 0.00 -1.03 0.00 0.00 55.69 53.35 1cfe s MET 23 Cb 0.00 0.42 -0.03 0.00 -1.53 0.00 0.00 34.83 33.68 1cfe s MET 23 CO 0.00 -0.57 0.10 -1.54 -2.03 0.00 0.00 175.02 170.98 1cfe s SER 24 N -3.05 2.80 0.61 -1.18 1.04 0.12 -4.97 113.70 109.07 1cfe s SER 24 Ca 0.26 -1.61 -0.14 0.00 0.48 0.00 0.00 55.95 54.95 1cfe s SER 24 Cb 0.01 0.38 -0.03 0.00 0.10 0.00 0.00 66.02 66.48 1cfe s SER 24 CO 0.09 -0.85 1.04 0.86 0.98 0.00 0.00 173.24 175.36 1cfe s TRP 25 N -3.21 3.21 -0.11 5.02 -0.00 -1.26 -0.96 118.94 121.64 1cfe s TRP 25 Ca 0.25 1.44 -0.03 0.00 -0.00 0.00 0.00 56.10 57.76 1cfe s TRP 25 Cb 0.04 -2.88 0.05 0.00 -0.00 0.00 0.00 33.47 30.67 1cfe s TRP 25 CO 0.14 -0.94 0.07 0.34 -0.00 0.00 0.00 176.95 176.56 1cfe s ASP 26 N -3.35 1.83 0.54 5.86 -1.08 0.14 -4.65 116.67 115.96 1cfe s ASP 26 Ca 0.60 -0.30 0.28 0.00 -0.52 0.00 0.00 52.55 52.60 1cfe s ASP 26 Cb -0.13 -0.24 1.52 0.00 -1.46 0.00 0.00 42.92 42.61 1cfe s ASP 26 CO 0.44 -0.29 2.11 0.00 0.52 0.00 0.00 175.17 177.94 1cfe h ALA 27 N 8.41 1.34 -0.38 3.66 0.00 -1.98 -1.76 119.26 128.55 1cfe h ALA 27 Ca -0.14 -0.09 -0.07 0.00 0.00 0.00 0.00 54.91 54.61 1cfe h ALA 27 Cb 1.13 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.90 1cfe h ALA 27 CO 0.23 0.12 -0.02 -0.91 0.00 0.00 0.00 179.25 178.67 1cfe h ASN 28 N 0.00 0.68 -0.37 0.00 2.35 -1.96 0.13 115.58 116.41 1cfe h ASN 28 Ca -0.00 -0.32 -0.01 0.00 -0.55 0.00 0.00 56.30 55.42 1cfe h ASN 28 Cb 0.26 -0.18 -0.02 0.00 0.05 0.00 0.00 38.32 38.43 1cfe h ASN 28 CO 0.01 0.84 0.19 -0.07 -1.65 0.00 0.00 177.43 176.75 1cfe h LEU 29 N 0.50 0.47 -0.17 1.61 3.38 -1.73 -0.04 115.31 119.32 1cfe h LEU 29 Ca 0.11 -0.10 0.04 0.00 0.09 0.00 0.00 57.88 58.01 1cfe h LEU 29 Cb 0.50 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 41.09 1cfe h LEU 29 CO 0.02 0.44 -0.10 0.00 0.09 0.00 0.00 178.44 178.89 1cfe h ALA 30 N 1.05 0.04 -0.06 1.53 0.00 -1.00 0.12 119.26 120.95 1cfe h ALA 30 Ca 0.13 0.07 0.03 0.00 0.00 0.00 0.00 54.91 55.13 1cfe h ALA 30 Cb 0.08 0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.07 1cfe h ALA 30 CO -0.02 -0.53 -0.12 0.66 0.00 0.00 0.00 179.25 179.24 1cfe h SER 31 N -0.09 -0.35 -0.39 0.00 4.64 -0.58 -0.90 113.55 115.87 1cfe h SER 31 Ca 0.10 0.06 0.01 0.00 -0.47 0.00 0.00 61.79 61.49 1cfe h SER 31 Cb 0.24 0.16 -0.02 0.00 -0.31 0.00 0.00 62.40 62.47 1cfe h SER 31 CO -0.23 -0.16 0.24 -0.09 -0.87 0.00 0.00 176.83 175.72 1cfe h ARG 32 N -0.17 0.48 0.34 4.77 1.12 -0.56 0.11 114.38 120.46 1cfe h ARG 32 Ca 0.06 -0.03 -0.01 0.00 -1.11 0.00 0.00 59.98 58.89 1cfe h ARG 32 Cb 0.26 -0.11 -0.00 0.00 -0.01 0.00 0.00 29.97 30.11 1cfe h ARG 32 CO -0.16 0.32 -0.20 0.00 -3.11 0.00 0.00 179.97 176.82 1cfe h ALA 33 N 1.16 -0.51 -0.56 2.80 0.00 -0.47 0.16 119.26 121.85 1cfe h ALA 33 Ca 0.15 -0.10 0.07 0.00 0.00 0.00 0.00 54.91 55.03 1cfe h ALA 33 Cb -0.02 0.24 -0.06 0.00 0.00 0.00 0.00 17.79 17.95 1cfe h ALA 33 CO -0.06 -0.79 0.24 0.37 0.00 0.00 0.00 179.25 179.01 1cfe h GLN 34 N -0.51 0.44 -0.35 0.00 -0.00 -0.92 -1.68 115.11 112.08 1cfe h GLN 34 Ca -0.04 -0.03 -0.03 0.00 -0.00 0.00 0.00 58.65 58.55 1cfe h GLN 34 Cb 0.42 -0.10 -0.01 0.00 0.00 0.00 0.00 27.48 27.79 1cfe h GLN 34 CO 0.05 0.29 0.08 -0.91 0.00 0.00 0.00 178.83 178.34 1cfe h ASN 35 N 0.45 0.54 -0.11 -0.69 2.35 -0.47 0.52 115.58 118.17 1cfe h ASN 35 Ca 0.27 -0.23 0.03 0.00 -0.55 0.00 0.00 56.30 55.81 1cfe h ASN 35 Cb 0.26 -0.14 -0.03 0.00 0.05 0.00 0.00 38.32 38.46 1cfe h ASN 35 CO -0.24 0.63 -0.07 0.22 -1.65 0.00 0.00 177.43 176.32 1cfe h TYR 36 N 0.42 -0.18 0.35 1.19 5.03 -0.34 0.11 116.97 123.55 1cfe h TYR 36 Ca 0.11 0.01 -0.00 0.00 2.58 0.00 0.00 58.73 61.43 1cfe h TYR 36 Cb 0.30 0.10 -0.02 0.00 1.55 0.00 0.00 36.73 38.66 1cfe h TYR 36 CO 0.02 -0.12 -0.34 0.00 -1.32 0.00 0.00 178.16 176.40 1cfe h ALA 37 N 1.01 -0.73 -0.61 1.82 0.00 -1.18 -2.22 119.26 117.37 1cfe h ALA 37 Ca 0.07 -0.12 0.11 0.00 0.00 0.00 0.00 54.91 54.98 1cfe h ALA 37 Cb 0.18 0.48 -0.09 0.00 0.00 0.00 0.00 17.79 18.36 1cfe h ALA 37 CO -0.16 -0.94 0.13 -0.91 0.00 0.00 0.00 179.25 177.37 1cfe h ASN 38 N -0.71 0.01 -0.12 0.00 4.21 -0.57 -1.03 115.58 117.37 1cfe h ASN 38 Ca -0.02 0.11 0.01 0.00 1.21 0.00 0.00 56.30 57.61 1cfe h ASN 38 Cb 0.64 0.15 -0.01 0.00 -1.12 0.00 0.00 38.32 37.98 1cfe h ASN 38 CO -0.05 0.01 0.06 0.28 -1.29 0.00 0.00 177.43 176.44 1cfe h SER 39 N 0.27 0.09 -1.38 5.81 0.02 -0.65 -3.19 113.55 114.52 1cfe h SER 39 Ca 0.32 0.01 -0.60 0.00 -0.84 0.00 0.00 61.79 60.67 1cfe h SER 39 Cb 0.47 -0.01 -0.20 0.00 0.14 0.00 0.00 62.40 62.80 1cfe h SER 39 CO -0.40 0.07 0.74 -1.14 -1.14 0.00 0.00 176.83 174.96 1cfe n ARG 40 N -5.04 2.76 -0.05 3.45 0.63 -0.41 -4.70 116.66 113.31 1cfe n ARG 40 Ca -0.05 -2.84 -0.14 0.00 -0.92 0.00 0.00 57.85 53.91 1cfe n ARG 40 Cb 0.04 -2.22 -0.08 0.00 0.45 0.00 0.00 32.46 30.65 1cfe n ARG 40 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1cfe h ALA 41 N 3.15 0.21 -0.00 5.13 0.00 -1.50 -3.04 119.26 123.21 1cfe h ALA 41 Ca 0.47 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1cfe h ALA 41 Cb 0.48 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.24 1cfe h ALA 41 CO 1.09 0.18 -0.01 0.41 0.00 0.00 0.00 179.25 180.92 1cfe n GLY 42 N 0.40 -0.98 1.01 0.00 0.00 -1.26 -3.26 105.19 101.09 1cfe n GLY 42 Ca -0.07 -0.21 -0.00 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.97 0.73 -4.10 1.61 -0.08 -1.24 -4.83 116.55 107.68 1cfe n ASP 43 Ca 0.21 0.09 -0.33 0.00 -1.51 0.00 0.00 54.79 53.26 1cfe n ASP 43 Cb 0.16 -0.23 -0.01 0.00 2.34 0.00 0.00 41.12 43.38 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 -3.52 6.95 -1.52 0.00 0.01 -1.26 -4.68 114.94 110.92 1cfe s ASN 45 Ca 0.57 2.38 -0.12 0.00 -0.71 0.00 0.00 52.86 54.99 1cfe s ASN 45 Cb -0.31 -2.61 -0.04 0.00 0.41 0.00 0.00 41.25 38.70 1cfe s ASN 45 CO 0.90 -0.48 2.64 0.18 -1.51 0.00 0.00 177.10 178.83 1cfe n LEU 46 N 2.40 7.82 -0.04 0.60 4.77 -1.26 -4.17 117.00 127.12 1cfe n LEU 46 Ca 0.05 -4.19 -0.08 0.00 -0.03 0.00 0.00 56.01 51.76 1cfe n LEU 46 Cb 0.43 -1.57 -0.04 0.00 -2.33 0.00 0.00 43.42 39.92 1cfe n LEU 46 CO 0.57 1.61 -0.80 -0.38 -1.33 0.00 0.00 177.39 177.07 1cfe n ILE 47 N 4.21 0.50 -4.91 -0.08 2.08 -1.26 -5.04 119.36 114.86 1cfe n ILE 47 Ca 0.67 -0.16 0.00 0.00 0.56 0.00 0.00 62.75 63.82 1cfe n ILE 47 Cb 0.29 -1.20 0.00 0.00 -0.75 0.00 0.00 39.64 37.98 1cfe n ILE 47 CO 0.00 0.00 0.00 1.57 0.56 0.00 0.00 176.55 178.68 1cfe n HIS 48 N -3.07 -1.80 -2.85 1.39 -0.00 -1.26 -4.68 115.22 102.95 1cfe n HIS 48 Ca -0.17 0.00 -0.12 0.00 -0.00 0.00 0.00 57.72 57.44 1cfe n HIS 48 Cb 0.65 0.26 0.03 0.00 -0.00 0.00 0.00 29.99 30.92 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 -2.64 0.48 0.00 0.26 3.41 -1.26 -5.08 113.62 108.79 1cfe n SER 49 Ca 0.00 -2.87 0.00 0.00 -0.26 0.00 0.00 58.87 55.74 1cfe n SER 49 Cb 0.00 -0.14 0.00 0.00 -0.26 0.00 0.00 64.21 63.81 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 0.91 3.57 5.00 0.00 -1.26 -5.06 105.19 108.37 1cfe n GLY 50 Ca 0.13 0.50 -0.38 0.00 0.00 0.00 0.00 46.02 46.27 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 2.69 -0.11 4.61 0.00 -1.26 -4.16 121.76 123.52 1cfe s ALA 51 Ca 0.00 -2.47 0.02 0.00 0.00 0.00 0.00 51.96 49.52 1cfe s ALA 51 Cb 0.00 -4.62 0.07 0.00 0.00 0.00 0.00 23.12 18.57 1cfe s ALA 51 CO 0.00 -3.95 0.76 0.41 0.00 0.00 0.00 175.76 172.98 1cfe n GLY 52 N 5.97 -0.49 3.36 0.00 0.00 -1.13 -0.73 105.19 112.17 1cfe n GLY 52 Ca 0.44 -0.03 -0.11 0.00 0.00 0.00 0.00 46.02 46.32 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 0.03 1.15 -0.05 1.61 2.12 -1.26 -1.03 118.70 121.26 1cfe s GLU 53 Ca 0.02 -0.59 0.02 0.00 0.36 0.00 0.00 54.97 54.78 1cfe s GLU 53 Cb 0.08 0.52 0.01 0.00 0.26 0.00 0.00 34.13 34.99 1cfe s GLU 53 CO -0.02 -0.47 -0.11 -0.80 -0.54 0.00 0.00 175.26 173.32 1cfe s ASN 54 N -2.74 1.50 0.24 -1.70 0.02 -0.58 -4.95 114.94 106.73 1cfe s ASN 54 Ca 0.02 -0.24 0.08 0.00 -1.02 0.00 0.00 52.86 51.70 1cfe s ASN 54 Cb 0.01 -0.57 -0.04 0.00 0.02 0.00 0.00 41.25 40.66 1cfe s ASN 54 CO -0.12 0.05 0.09 -0.76 0.02 0.00 0.00 177.10 176.37 1cfe s LEU 55 N 0.47 3.50 -0.29 0.60 1.43 -1.26 -1.09 118.68 122.03 1cfe s LEU 55 Ca -0.09 -0.43 -0.01 0.00 -1.03 0.00 0.00 54.13 52.57 1cfe s LEU 55 Cb -0.13 -2.04 0.18 0.00 0.03 0.00 0.00 46.19 44.23 1cfe s LEU 55 CO 0.02 -0.00 0.55 0.00 0.23 0.00 0.00 176.35 177.15 1cfe s ALA 56 N -2.15 -2.01 0.56 4.21 0.00 0.20 -4.99 121.76 117.57 1cfe s ALA 56 Ca 0.32 1.59 -0.14 0.00 0.00 0.00 0.00 51.96 53.72 1cfe s ALA 56 Cb -0.07 -2.08 -0.06 0.00 0.00 0.00 0.00 23.12 20.90 1cfe s ALA 56 CO 0.22 -1.35 1.00 -1.59 0.00 0.00 0.00 175.76 174.05 1cfe s LYS 57 N 2.79 3.80 0.00 0.00 0.00 -1.26 -1.02 119.74 124.05 1cfe s LYS 57 Ca 0.19 0.89 0.00 0.00 0.00 0.00 0.00 55.97 57.04 1cfe s LYS 57 Cb -0.15 -2.11 0.00 0.00 0.00 0.00 0.00 37.83 35.57 1cfe s LYS 57 CO -0.20 -0.40 0.00 0.41 0.00 0.00 0.00 175.35 175.16 1cfe n GLY 58 N -2.00 0.23 7.00 0.59 0.00 -1.13 -4.96 105.19 104.92 1cfe n GLY 58 Ca 0.06 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.96 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 -1.21 -0.89 7.00 -0.02 0.00 -1.25 -4.85 105.19 103.97 1cfe n GLY 59 Ca 0.00 -1.09 0.00 0.00 0.00 0.00 0.00 46.02 44.93 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 0.00 1.67 0.41 -0.02 0.00 -1.26 -1.54 105.19 104.45 1cfe n GLY 60 Ca 0.00 0.29 0.06 0.00 0.00 0.00 0.00 46.02 46.37 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 11.41 1.49 -4.59 1.61 5.75 -1.26 -4.95 116.55 126.01 1cfe n ASP 61 Ca 0.00 -2.84 -0.49 0.00 -0.01 0.00 0.00 54.79 51.46 1cfe n ASP 61 Cb 0.00 -0.37 -0.05 0.00 -1.03 0.00 0.00 41.12 39.66 1cfe n ASP 61 CO 0.00 0.00 0.00 0.33 -0.11 0.00 0.00 177.20 177.42 1cfe n PHE 62 N -0.82 2.00 -2.36 2.11 7.35 -0.59 -4.90 117.46 120.26 1cfe n PHE 62 Ca 0.11 0.09 -0.30 0.00 -0.76 0.00 0.00 57.45 56.60 1cfe n PHE 62 Cb 0.71 -2.62 -0.00 0.00 0.35 0.00 0.00 39.48 37.91 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 5.97 4.79 0.18 -2.13 -4.23 -1.26 -4.87 115.64 114.09 1cfe s THR 63 Ca 1.00 0.60 -0.06 0.00 -1.18 0.00 0.00 61.69 62.05 1cfe s THR 63 Cb -0.70 -3.84 -0.04 0.00 1.34 0.00 0.00 72.50 69.27 1cfe s THR 63 CO 0.48 -0.90 1.51 1.23 -0.54 0.00 0.00 174.62 176.41 1cfe h GLY 64 N 0.23 0.79 0.42 3.99 0.00 -1.65 -0.09 103.07 106.76 1cfe h GLY 64 Ca -0.46 -0.83 0.02 0.00 0.00 0.00 0.00 47.33 46.06 1cfe h GLY 64 CO 0.62 0.75 -0.34 -0.09 0.00 0.00 0.00 176.54 177.48 1cfe h ARG 65 N 0.58 -0.56 -0.79 4.80 2.43 -1.51 -0.53 114.38 118.80 1cfe h ARG 65 Ca 0.04 0.04 0.09 0.00 -0.81 0.00 0.00 59.98 59.34 1cfe h ARG 65 Cb 1.00 0.13 -0.05 0.00 -0.42 0.00 0.00 29.97 30.62 1cfe h ARG 65 CO 0.09 -0.38 0.52 0.00 -1.51 0.00 0.00 179.97 178.70 1cfe h ALA 66 N 0.02 1.74 0.31 2.80 0.00 -1.80 -0.04 119.26 122.28 1cfe h ALA 66 Ca 0.02 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 1cfe h ALA 66 Cb 0.61 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1cfe h ALA 66 CO -0.19 0.10 -0.15 0.00 0.00 0.00 0.00 179.25 179.02 1cfe h ALA 67 N 1.60 -0.41 -0.38 0.00 0.00 0.04 0.50 119.26 120.60 1cfe h ALA 67 Ca 0.36 -0.09 0.04 0.00 0.00 0.00 0.00 54.91 55.22 1cfe h ALA 67 Cb 0.41 0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.33 1cfe h ALA 67 CO -0.14 -0.73 0.16 0.28 0.00 0.00 0.00 179.25 178.83 1cfe h VAL 68 N -0.42 0.94 -0.98 0.00 2.07 -0.40 0.90 116.25 118.36 1cfe h VAL 68 Ca -0.04 -0.12 0.17 0.00 0.82 0.00 0.00 66.70 67.53 1cfe h VAL 68 Cb 0.32 0.57 -0.09 0.00 -1.52 0.00 0.00 31.29 30.56 1cfe h VAL 68 CO 0.07 0.06 0.61 1.56 0.02 0.00 0.00 177.57 179.89 1cfe h GLN 69 N 0.34 0.74 -0.23 1.57 4.20 -0.77 0.59 115.11 121.54 1cfe h GLN 69 Ca 0.17 -0.04 -0.17 0.00 0.06 0.00 0.00 58.65 58.67 1cfe h GLN 69 Cb 0.11 -0.17 -0.00 0.00 0.30 0.00 0.00 27.48 27.72 1cfe h GLN 69 CO -0.14 0.49 -0.54 1.25 -0.67 0.00 0.00 178.83 179.22 1cfe h LEU 70 N 0.76 0.74 -1.95 1.46 7.12 0.19 0.25 115.31 123.88 1cfe h LEU 70 Ca 0.54 -0.39 -0.02 0.00 0.13 0.00 0.00 57.88 58.13 1cfe h LEU 70 Cb 0.84 -0.21 -0.00 0.00 -0.53 0.00 0.00 40.66 40.75 1cfe h LEU 70 CO -0.31 1.13 -0.11 -0.50 -0.13 0.00 0.00 178.44 178.52 1cfe h TRP 71 N 0.52 0.00 0.00 1.25 6.55 0.87 -1.54 115.95 123.60 1cfe h TRP 71 Ca 0.01 0.00 -0.02 0.00 0.95 0.00 0.00 58.89 59.83 1cfe h TRP 71 Cb 1.10 0.00 -0.00 0.00 -0.86 0.00 0.00 29.16 29.40 1cfe h TRP 71 CO 0.05 0.11 -0.60 0.28 -1.05 0.00 0.00 178.44 177.24 1cfe h VAL 72 N 0.00 0.10 0.00 1.49 2.07 0.10 -2.56 116.25 117.45 1cfe h VAL 72 Ca -0.00 -1.16 0.00 0.00 0.82 0.00 0.00 66.70 66.35 1cfe h VAL 72 Cb 0.26 1.81 0.00 0.00 -1.52 0.00 0.00 31.29 31.84 1cfe h VAL 72 CO 0.01 0.06 0.27 0.28 0.02 0.00 0.00 177.57 178.21 1cfe h SER 73 N 0.00 0.00 0.00 0.57 0.02 0.09 -1.02 113.55 113.21 1cfe h SER 73 Ca -0.01 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.94 1cfe h SER 73 Cb 1.07 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.61 1cfe h SER 73 CO 0.01 0.00 0.00 -0.62 -1.14 0.00 0.00 176.83 175.08 1cfe n GLU 74 N -2.51 0.24 -0.25 3.45 -0.58 -1.25 -4.21 120.64 115.53 1cfe n GLU 74 Ca -0.02 0.00 0.05 0.00 -0.42 0.00 0.00 57.16 56.78 1cfe n GLU 74 Cb 0.30 -1.07 0.12 0.00 -0.57 0.00 0.00 31.44 30.22 1cfe n GLU 74 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 1cfe n ARG 75 N -0.57 -0.06 -0.05 3.49 1.74 -0.39 -0.42 116.66 120.40 1cfe n ARG 75 Ca 0.01 1.07 0.01 0.00 -0.77 0.00 0.00 57.85 58.16 1cfe n ARG 75 Cb 0.00 -1.61 0.03 0.00 -1.02 0.00 0.00 32.46 29.86 1cfe n ARG 75 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 1cfe n PRO 76 N -5.09 1.21 0.00 5.56 -0.04 -1.26 -4.06 135.00 131.33 1cfe n PRO 76 Ca 0.12 -0.25 0.00 0.00 -0.04 0.00 0.00 63.50 63.33 1cfe n PRO 76 Cb 0.38 -1.22 0.00 0.00 -0.04 0.00 0.00 33.50 32.62 1cfe n PRO 76 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1cfe n SER 77 N -0.19 0.90 -4.76 3.54 3.41 0.44 -4.97 113.62 111.99 1cfe n SER 77 Ca 0.02 0.00 -0.40 0.00 -0.26 0.00 0.00 58.87 58.23 1cfe n SER 77 Cb 0.14 0.07 -0.05 0.00 -0.26 0.00 0.00 64.21 64.11 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 -1.19 3.83 -0.22 7.33 -0.85 0.11 -0.33 117.35 126.04 1cfe s TYR 78 Ca 0.00 1.62 -0.16 0.00 -0.52 0.00 0.00 57.07 58.00 1cfe s TYR 78 Cb 0.00 -2.84 0.06 0.00 0.38 0.00 0.00 41.96 39.56 1cfe s TYR 78 CO 0.00 0.37 0.56 1.21 -1.52 0.00 0.00 175.55 176.17 1cfe s ASN 79 N -0.56 -0.66 0.13 -0.18 2.47 -1.26 -4.71 114.94 110.17 1cfe s ASN 79 Ca 0.39 1.18 -0.18 0.00 0.42 0.00 0.00 52.86 54.67 1cfe s ASN 79 Cb -0.22 1.13 -0.03 0.00 -1.45 0.00 0.00 41.25 40.68 1cfe s ASN 79 CO 0.26 -0.21 1.74 0.22 -3.72 0.00 0.00 177.10 175.39 1cfe h TYR 80 N 6.08 0.44 -1.12 0.43 5.03 -1.97 -3.01 116.97 122.86 1cfe h TYR 80 Ca -0.30 -0.01 0.38 0.00 2.58 0.00 0.00 58.73 61.38 1cfe h TYR 80 Cb 1.19 -0.14 -0.14 0.00 1.55 0.00 0.00 36.73 39.18 1cfe h TYR 80 CO 0.28 0.35 0.67 0.00 -1.32 0.00 0.00 178.16 178.14 1cfe h ALA 81 N 1.05 2.31 0.00 1.82 0.00 -1.97 0.29 119.26 122.76 1cfe h ALA 81 Ca 0.11 0.17 -0.08 0.00 0.00 0.00 0.00 54.91 55.12 1cfe h ALA 81 Cb 0.05 0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1cfe h ALA 81 CO -0.02 -0.95 -1.48 0.25 0.00 0.00 0.00 179.25 177.05 1cfe n THR 82 N -4.93 0.70 -1.33 0.00 -2.24 -1.15 -4.95 114.28 100.37 1cfe n THR 82 Ca 0.35 -0.60 -0.11 0.00 -2.27 0.00 0.00 64.05 61.41 1cfe n THR 82 Cb 1.21 -0.38 -0.05 0.00 -2.10 0.00 0.00 70.33 69.00 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 -2.64 -5.59 -3.76 3.42 2.85 0.10 -4.91 115.26 104.73 1cfe n ASN 83 Ca -0.07 0.28 -0.09 0.00 -0.11 0.00 0.00 54.58 54.60 1cfe n ASN 83 Cb 0.69 -4.10 -0.04 0.00 1.24 0.00 0.00 39.78 37.57 1cfe n ASN 83 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1cfe s GLN 84 N -2.93 1.45 0.29 1.20 -2.07 -1.26 -4.68 119.66 111.66 1cfe s GLN 84 Ca 0.00 -0.89 -0.30 0.00 -1.82 0.00 0.00 55.36 52.35 1cfe s GLN 84 Cb 0.00 0.53 -0.13 0.00 -1.09 0.00 0.00 33.01 32.32 1cfe s GLN 84 CO 0.00 -0.62 1.32 0.00 -1.32 0.00 0.00 175.29 174.67 1cfe s VAL 86 N -0.60 2.77 0.00 0.00 1.01 0.55 -4.78 120.40 119.35 1cfe s VAL 86 Ca 0.62 0.71 0.00 0.00 0.00 0.00 0.00 61.98 63.31 1cfe s VAL 86 Cb -0.62 -3.46 0.00 0.00 0.00 0.00 0.00 36.38 32.31 1cfe s VAL 86 CO 0.56 0.15 0.00 0.61 0.00 0.00 0.00 175.10 176.42 1cfe n GLY 87 N 1.38 1.63 2.73 4.51 0.00 -1.26 -3.58 105.19 110.60 1cfe n GLY 87 Ca 0.03 0.61 -0.09 0.00 0.00 0.00 0.00 46.02 46.57 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 0.00 0.62 3.77 -0.02 0.00 -1.26 -5.14 105.19 103.17 1cfe n GLY 88 Ca 0.00 0.02 -0.29 0.00 0.00 0.00 0.00 46.02 45.75 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 0.26 1.51 -1.30 1.61 1.02 -1.23 -4.91 119.74 116.70 1cfe s LYS 89 Ca 0.22 0.54 -0.17 0.00 0.02 0.00 0.00 55.97 56.59 1cfe s LYS 89 Cb 0.30 -1.86 0.01 0.00 -0.52 0.00 0.00 37.83 35.75 1cfe s LYS 89 CO -0.06 -2.00 2.07 1.63 -0.92 0.00 0.00 175.35 176.07 1cfe n LYS 90 N -3.67 2.63 0.00 1.68 4.76 -1.26 -4.64 118.16 117.65 1cfe n LYS 90 Ca 0.07 -2.60 0.00 0.00 -2.87 0.00 0.00 58.31 52.90 1cfe n LYS 90 Cb 0.57 -3.29 0.00 0.00 -1.84 0.00 0.00 35.03 30.47 1cfe n LYS 90 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1cfe n ARG 92 N 0.00 0.00 -0.05 0.00 3.00 -1.26 -4.65 116.66 113.69 1cfe n ARG 92 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 57.85 57.84 1cfe n ARG 92 Cb 0.00 -1.71 -0.01 0.00 0.00 0.00 0.00 32.46 30.74 1cfe n ARG 92 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 1cfe h HIS 93 N 0.00 0.00 -0.89 -0.14 3.86 -1.90 -3.37 115.15 112.72 1cfe h HIS 93 Ca 0.00 0.00 0.24 0.00 -1.16 0.00 0.00 60.37 59.45 1cfe h HIS 93 Cb 0.00 0.00 -0.14 0.00 1.06 0.00 0.00 27.41 28.33 1cfe h HIS 93 CO 0.00 0.07 0.28 -0.92 0.86 0.00 0.00 177.93 178.22 1cfe h TYR 94 N -1.00 0.44 -0.81 2.45 3.20 -1.72 0.85 116.97 120.38 1cfe h TYR 94 Ca -0.00 0.05 0.18 0.00 3.14 0.00 0.00 58.73 62.10 1cfe h TYR 94 Cb 0.13 -0.05 -0.05 0.00 1.54 0.00 0.00 36.73 38.29 1cfe h TYR 94 CO -0.01 -0.18 0.54 1.79 -1.64 0.00 0.00 178.16 178.66 1cfe h THR 95 N 0.24 0.72 0.06 1.81 1.35 -1.89 0.82 112.91 116.02 1cfe h THR 95 Ca 0.57 -0.11 -0.00 0.00 -0.55 0.00 0.00 66.41 66.31 1cfe h THR 95 Cb 1.15 0.36 0.00 0.00 -1.73 0.00 0.00 68.15 67.93 1cfe h THR 95 CO -0.63 0.06 -0.03 -0.61 -0.25 0.00 0.00 175.52 174.06 1cfe h GLN 96 N 0.33 -0.08 -0.43 4.72 5.75 -0.98 -2.65 115.11 121.76 1cfe h GLN 96 Ca 0.40 0.01 0.08 0.00 -0.15 0.00 0.00 58.65 58.99 1cfe h GLN 96 Cb 1.08 0.02 -0.07 0.00 1.07 0.00 0.00 27.48 29.58 1cfe h GLN 96 CO -0.12 0.44 0.02 0.28 -2.65 0.00 0.00 178.83 176.80 1cfe h VAL 97 N -0.66 0.69 -0.05 2.39 2.07 -0.93 -0.65 116.25 119.10 1cfe h VAL 97 Ca -0.01 -0.04 0.00 0.00 0.82 0.00 0.00 66.70 67.47 1cfe h VAL 97 Cb 0.56 0.55 0.00 0.00 -1.52 0.00 0.00 31.29 30.88 1cfe h VAL 97 CO 0.01 0.02 0.00 0.55 0.02 0.00 0.00 177.57 178.18 1cfe n VAL 98 N -5.19 0.06 -1.58 2.57 3.14 0.11 -4.86 118.33 112.58 1cfe n VAL 98 Ca 0.04 -0.13 -0.44 0.00 -2.96 0.00 0.00 64.34 60.84 1cfe n VAL 98 Cb 0.22 -0.03 -0.04 0.00 -1.06 0.00 0.00 33.84 32.94 1cfe n VAL 98 CO 0.00 0.00 0.00 1.87 -6.46 0.00 0.00 176.83 172.24 1cfe n TRP 99 N -0.38 1.95 0.21 1.45 -0.00 -0.25 -4.52 117.44 115.90 1cfe n TRP 99 Ca 0.17 -0.07 0.08 0.00 -0.00 0.00 0.00 57.50 57.68 1cfe n TRP 99 Cb 0.19 -2.70 0.37 0.00 -0.00 0.00 0.00 31.31 29.17 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 14.12 0.00 -0.25 5.87 1.12 -1.28 -2.86 114.38 131.09 1cfe h ARG 100 Ca -0.40 0.00 -0.10 0.00 -1.11 0.00 0.00 59.98 58.37 1cfe h ARG 100 Cb 1.26 0.00 -0.01 0.00 -0.01 0.00 0.00 29.97 31.20 1cfe h ARG 100 CO 0.97 0.28 -0.27 -0.97 -3.11 0.00 0.00 179.97 176.87 1cfe h ASN 101 N 0.00 0.50 -3.46 -3.80 -1.24 -1.88 -3.43 115.58 102.28 1cfe h ASN 101 Ca -0.00 -0.18 -0.54 0.00 0.71 0.00 0.00 56.30 56.29 1cfe h ASN 101 Cb 0.86 -0.14 -0.03 0.00 0.73 0.00 0.00 38.32 39.74 1cfe h ASN 101 CO 0.04 0.76 0.21 -0.94 -1.29 0.00 0.00 177.43 176.21 1cfe s SER 102 N -6.81 7.27 0.00 1.15 1.04 -1.08 -4.44 113.70 110.83 1cfe s SER 102 Ca -0.07 1.52 0.00 0.00 0.48 0.00 0.00 55.95 57.88 1cfe s SER 102 Cb 0.14 -2.50 0.00 0.00 0.10 0.00 0.00 66.02 63.76 1cfe s SER 102 CO 0.80 -0.01 0.10 1.33 0.98 0.00 0.00 173.24 176.44 1cfe n VAL 103 N 2.85 0.00 -3.90 5.02 0.24 -0.79 -4.86 118.33 116.89 1cfe n VAL 103 Ca -0.01 -0.36 -0.27 0.00 -2.04 0.00 0.00 64.34 61.65 1cfe n VAL 103 Cb 0.50 1.08 -0.03 0.00 -1.47 0.00 0.00 33.84 33.92 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 -0.52 3.46 0.07 7.34 3.00 -0.55 -0.71 118.95 131.04 1cfe s ARG 104 Ca 0.00 -0.52 -0.16 0.00 0.00 0.00 0.00 55.73 55.06 1cfe s ARG 104 Cb 0.00 -2.96 0.03 0.00 0.00 0.00 0.00 34.95 32.02 1cfe s ARG 104 CO 0.00 0.52 0.36 -1.17 0.00 0.00 0.00 175.30 175.01 1cfe s LEU 105 N -3.10 0.61 -0.30 2.53 1.98 -0.13 -2.81 118.68 117.46 1cfe s LEU 105 Ca 0.35 -0.19 -0.18 0.00 -2.89 0.00 0.00 54.13 51.22 1cfe s LEU 105 Cb -0.11 1.61 0.19 0.00 0.66 0.00 0.00 46.19 48.53 1cfe s LEU 105 CO 0.28 -0.71 1.19 -0.83 -1.89 0.00 0.00 176.35 174.39 1cfe s GLY 106 N -2.32 0.20 0.25 7.98 0.00 -0.74 0.23 107.32 112.92 1cfe s GLY 106 Ca -0.02 3.51 0.11 0.00 0.00 0.00 0.00 44.72 48.31 1cfe s GLY 106 CO -0.06 3.22 -0.12 0.00 0.00 0.00 0.00 173.10 176.14 1cfe n GLY 108 N -0.55 3.13 3.64 0.00 0.00 0.32 -4.54 105.19 107.19 1cfe n GLY 108 Ca -0.07 -1.78 -0.06 0.00 0.00 0.00 0.00 46.02 44.11 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 -2.88 0.54 0.01 1.61 6.06 -1.26 -3.65 118.95 119.39 1cfe s ARG 109 Ca 0.27 0.84 -0.00 0.00 -2.50 0.00 0.00 55.73 54.33 1cfe s ARG 109 Cb 0.01 0.16 -0.01 0.00 0.06 0.00 0.00 34.95 35.17 1cfe s ARG 109 CO 0.19 -0.10 -0.02 0.00 -2.50 0.00 0.00 175.30 172.88 1cfe s ALA 110 N 1.10 0.06 -0.70 6.12 0.00 -0.82 -4.76 121.76 122.76 1cfe s ALA 110 Ca -0.06 -0.32 -0.19 0.00 0.00 0.00 0.00 51.96 51.39 1cfe s ALA 110 Cb -0.04 0.08 0.11 0.00 0.00 0.00 0.00 23.12 23.27 1cfe s ALA 110 CO -0.13 -0.09 0.86 0.50 0.00 0.00 0.00 175.76 176.90 1cfe s ARG 111 N -0.81 3.23 1.02 0.00 3.52 -1.26 -1.19 118.95 123.46 1cfe s ARG 111 Ca -0.09 -1.41 -0.17 0.00 -0.13 0.00 0.00 55.73 53.93 1cfe s ARG 111 Cb -0.06 -4.41 0.25 0.00 -1.56 0.00 0.00 34.95 29.17 1cfe s ARG 111 CO -0.01 -1.63 0.96 0.00 -0.81 0.00 0.00 175.30 173.81 1cfe n ASN 113 N -4.49 0.00 0.00 0.00 3.02 -1.20 -3.76 115.26 108.82 1cfe n ASN 113 Ca 0.13 0.00 0.10 0.00 -0.03 0.00 0.00 54.58 54.78 1cfe n ASN 113 Cb 0.50 0.00 0.47 0.00 -0.61 0.00 0.00 39.78 40.14 1cfe n ASN 113 CO 0.00 0.00 0.00 -0.46 -2.62 0.00 0.00 177.26 174.18 1cfe n ASN 114 N 0.00 0.00 -0.03 6.41 0.23 -1.26 -1.60 115.26 119.01 1cfe n ASN 114 Ca 0.00 0.33 0.13 0.00 -0.53 0.00 0.00 54.58 54.52 1cfe n ASN 114 Cb 0.00 -0.43 0.52 0.00 -2.08 0.00 0.00 39.78 37.78 1cfe n ASN 114 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1cfe n GLY 115 N 0.58 -1.28 7.00 4.83 0.00 -1.26 -4.99 105.19 110.07 1cfe n GLY 115 Ca 0.07 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 45.87 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 -1.35 0.00 -2.69 1.61 8.01 -0.62 -2.74 117.44 119.65 1cfe n TRP 116 Ca 0.09 0.00 -0.42 0.00 -1.31 0.00 0.00 57.50 55.86 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 2.52 -0.55 -5.99 0.23 -1.26 -0.17 118.94 113.72 1cfe s TRP 117 Ca 0.00 -0.45 -0.26 0.00 -2.03 0.00 0.00 56.10 53.36 1cfe s TRP 117 Cb 0.00 -4.50 0.04 0.00 0.03 0.00 0.00 33.47 29.04 1cfe s TRP 117 CO 0.00 -1.86 1.03 0.12 0.96 0.00 0.00 176.95 177.19 1cfe s PHE 118 N 4.79 2.75 -0.05 -1.98 5.36 -0.34 -2.85 117.98 125.67 1cfe s PHE 118 Ca 0.32 0.20 -0.26 0.00 -0.96 0.00 0.00 56.93 56.23 1cfe s PHE 118 Cb -0.10 -4.21 -0.03 0.00 -0.34 0.00 0.00 43.02 38.34 1cfe s PHE 118 CO 0.08 -1.39 0.80 0.42 -1.46 0.00 0.00 175.22 173.67 1cfe s ILE 119 N 4.26 4.98 0.01 3.12 1.01 -0.19 -1.94 121.20 132.44 1cfe s ILE 119 Ca 0.36 1.67 0.06 0.00 0.00 0.00 0.00 60.65 62.73 1cfe s ILE 119 Cb -0.10 -4.14 -0.03 0.00 0.01 0.00 0.00 42.46 38.19 1cfe s ILE 119 CO 0.22 0.21 -0.16 -0.44 0.00 0.00 0.00 174.94 174.77 1cfe s SER 120 N 0.89 3.91 -0.09 3.58 0.01 -1.24 -0.63 113.70 120.13 1cfe s SER 120 Ca 0.43 -0.33 -0.04 0.00 1.31 0.00 0.00 55.95 57.32 1cfe s SER 120 Cb -0.19 -0.72 0.05 0.00 0.21 0.00 0.00 66.02 65.37 1cfe s SER 120 CO 0.21 0.29 0.18 0.00 0.41 0.00 0.00 173.24 174.33 1cfe s ASN 122 N 1.85 4.96 0.21 0.00 3.04 -0.11 -1.53 114.94 123.37 1cfe s ASN 122 Ca -0.02 -0.15 0.10 0.00 0.04 0.00 0.00 52.86 52.83 1cfe s ASN 122 Cb -0.12 -1.19 -0.04 0.00 -1.54 0.00 0.00 41.25 38.36 1cfe s ASN 122 CO -0.07 0.21 -0.14 -0.31 -3.04 0.00 0.00 177.10 173.75 1cfe s TYR 123 N -1.22 2.49 0.00 0.43 1.51 -0.20 -1.80 117.35 118.56 1cfe s TYR 123 Ca 0.23 -0.28 -0.00 0.00 -1.01 0.00 0.00 57.07 56.01 1cfe s TYR 123 Cb -0.12 -1.18 -0.00 0.00 -0.11 0.00 0.00 41.96 40.55 1cfe s TYR 123 CO 0.15 0.56 0.00 0.34 -1.11 0.00 0.00 175.55 175.49 1cfe s ASP 124 N -3.02 0.06 1.22 2.29 -1.08 -1.12 -4.52 116.67 110.49 1cfe s ASP 124 Ca 0.25 -0.13 -0.18 0.00 -0.52 0.00 0.00 52.55 51.97 1cfe s ASP 124 Cb -0.08 0.05 0.26 0.00 -1.46 0.00 0.00 42.92 41.69 1cfe s ASP 124 CO 0.14 -0.10 0.58 -0.81 0.52 0.00 0.00 175.17 175.51 1cfe n PRO 125 N 2.62 -3.31 -0.85 4.34 -0.04 -1.26 -1.48 135.00 135.02 1cfe n PRO 125 Ca -0.16 -0.98 -0.33 0.00 -0.04 0.00 0.00 63.50 62.00 1cfe n PRO 125 Cb 0.58 -1.72 0.13 0.00 -0.04 0.00 0.00 33.50 32.46 1cfe n PRO 125 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 1cfe n VAL 126 N -5.03 0.52 -3.85 0.52 0.24 -1.26 -4.55 118.33 104.92 1cfe n VAL 126 Ca 0.08 -0.15 -0.05 0.00 -2.04 0.00 0.00 64.34 62.18 1cfe n VAL 126 Cb 0.48 -0.86 0.02 0.00 -1.47 0.00 0.00 33.84 32.00 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 -2.20 0.19 -1.51 7.63 0.00 0.10 -4.70 107.32 106.83 1cfe s GLY 127 Ca 0.64 -0.48 0.00 0.00 0.00 0.00 0.00 44.72 44.88 1cfe s GLY 127 CO 0.60 1.16 0.00 -2.01 0.00 0.00 0.00 173.10 172.85 1cfe n ASN 128 N -1.24 -4.94 -4.78 1.64 5.15 -1.26 -2.84 115.26 106.98 1cfe n ASN 128 Ca -0.05 0.35 -0.37 0.00 -0.60 0.00 0.00 54.58 53.91 1cfe n ASN 128 Cb 0.60 -4.06 -0.07 0.00 -0.53 0.00 0.00 39.78 35.72 1cfe n ASN 128 CO 0.00 0.00 0.00 0.86 1.40 0.00 0.00 177.26 179.52 1cfe s TRP 129 N -2.18 3.55 0.15 1.20 -0.11 -1.26 -4.96 118.94 115.33 1cfe s TRP 129 Ca 0.00 0.66 -0.32 0.00 1.22 0.00 0.00 56.10 57.66 1cfe s TRP 129 Cb 0.00 -2.24 -0.12 0.00 -1.50 0.00 0.00 33.47 29.61 1cfe s TRP 129 CO 0.00 0.44 1.72 1.51 -4.62 0.00 0.00 176.95 176.00 1cfe n ILE 130 N 2.83 0.14 0.00 5.86 0.00 -1.26 -3.91 119.36 123.03 1cfe n ILE 130 Ca -0.14 -0.03 0.00 0.00 0.00 0.00 0.00 62.75 62.58 1cfe n ILE 130 Cb 0.53 -1.89 0.00 0.00 0.00 0.00 0.00 39.64 38.28 1cfe n ILE 130 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1cfe n GLY 131 N 3.91 0.64 3.61 4.50 0.00 -1.26 -5.14 105.19 111.45 1cfe n GLY 131 Ca 0.17 0.08 -0.28 0.00 0.00 0.00 0.00 46.02 45.99 1cfe n GLY 131 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1cfe s GLN 132 N 0.00 2.00 0.55 1.61 0.00 -1.25 -5.15 119.66 117.42 1cfe s GLN 132 Ca 0.00 -2.23 -0.15 0.00 -0.00 0.00 0.00 55.36 52.98 1cfe s GLN 132 Cb 0.00 -1.09 -0.06 0.00 0.00 0.00 0.00 33.01 31.86 1cfe s GLN 132 CO 0.00 -0.36 1.00 1.03 0.00 0.00 0.00 175.29 176.96 1cfe s ARG 133 N -3.79 3.79 -0.11 9.60 0.52 -1.26 -4.91 118.95 122.78 1cfe s ARG 133 Ca 0.19 0.93 -0.22 0.00 -0.52 0.00 0.00 55.73 56.11 1cfe s ARG 133 Cb 0.04 -2.11 -0.19 0.00 0.52 0.00 0.00 34.95 33.20 1cfe s ARG 133 CO 0.11 -0.40 0.66 -1.00 0.02 0.00 0.00 175.30 174.68 1cfe h PRO 134 N 0.55 -0.03 0.00 3.54 0.13 -1.90 -3.44 132.00 130.86 1cfe h PRO 134 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 1cfe h PRO 134 Cb 1.19 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1cfe h PRO 134 CO 0.61 0.67 0.00 2.48 -0.23 0.00 0.00 178.00 181.53